NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20251 | 2fe9 | 6922 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 9.187 -10.879 -5.423 2 2H SER 1 HT2 SER 1 9.717 -11.892 -4.177 3 3H SER 1 HT3 SER 1 8.105 -11.381 -4.222 4 HA SER 1 HA SER 1 9.425 -13.130 -6.215 5 1HB SER 1 HB2 SER 1 9.031 -14.263 -4.067 6 2HB SER 1 HB1 SER 1 7.340 -13.765 -4.109 7 HG SER 1 HG SER 1 7.337 -14.935 -6.224 8 H ASN 2 HN ASN 2 6.163 -12.333 -5.005 9 HA ASN 2 HA ASN 2 5.155 -12.454 -7.737 10 1HB ASN 2 HB2 ASN 2 3.899 -13.628 -5.986 11 2HB ASN 2 HB1 ASN 2 3.686 -12.114 -5.112 12 1HD2 ASN 2 HD21 ASN 2 2.765 -13.968 -7.904 13 2HD2 ASN 2 HD22 ASN 2 1.378 -13.027 -8.321 14 H SER 3 HN SER 3 4.201 -10.292 -5.091 15 HA SER 3 HA SER 3 3.610 -8.086 -5.113 16 1HB SER 3 HB2 SER 3 5.421 -6.573 -5.825 17 2HB SER 3 HB1 SER 3 6.042 -7.920 -4.872 18 HG SER 3 HG SER 3 7.147 -8.568 -6.538 19 H SER 4 HN SER 4 2.023 -9.172 -6.879 20 HA SER 4 HA SER 4 2.294 -7.713 -9.406 21 1HB SER 4 HB2 SER 4 1.861 -10.136 -9.556 22 2HB SER 4 HB1 SER 4 0.364 -9.917 -8.652 23 HG SER 4 HG SER 4 0.728 -9.696 -11.257 24 H MET 5 HN MET 5 1.214 -6.932 -6.545 25 HA MET 5 HA MET 5 -0.336 -5.513 -5.683 26 1HB MET 5 HB2 MET 5 -0.201 -4.672 -8.550 27 2HB MET 5 HB1 MET 5 -1.384 -3.931 -7.479 28 1HG MET 5 HG2 MET 5 0.657 -2.611 -7.635 29 2HG MET 5 HG1 MET 5 0.373 -3.189 -5.995 30 1HE MET 5 HE1 MET 5 4.128 -3.310 -5.801 31 2HE MET 5 HE2 MET 5 2.620 -2.490 -5.393 32 3HE MET 5 HE3 MET 5 3.426 -2.145 -6.922 33 H ASN 6 HN ASN 6 -1.769 -7.202 -5.068 34 HA ASN 6 HA ASN 6 -3.862 -8.061 -6.850 35 1HB ASN 6 HB2 ASN 6 -3.573 -8.497 -3.866 36 2HB ASN 6 HB1 ASN 6 -4.668 -9.360 -4.944 37 1HD2 ASN 6 HD21 ASN 6 -3.854 -10.899 -6.352 38 2HD2 ASN 6 HD22 ASN 6 -2.266 -11.557 -6.181 39 HA PRO 7 HA PRO 7 -6.233 -4.313 -5.843 40 1HB PRO 7 HB2 PRO 7 -8.239 -5.608 -7.589 41 2HB PRO 7 HB1 PRO 7 -7.503 -4.007 -7.710 42 1HG PRO 7 HG2 PRO 7 -6.849 -5.964 -9.413 43 2HG PRO 7 HG1 PRO 7 -5.646 -4.794 -8.838 44 1HD PRO 7 HD2 PRO 7 -6.115 -7.617 -7.963 45 2HD PRO 7 HD1 PRO 7 -4.585 -6.765 -8.233 46 H LYS 8 HN LYS 8 -6.910 -7.604 -5.264 47 HA LYS 8 HA LYS 8 -9.460 -7.172 -4.003 48 1HB LYS 8 HB2 LYS 8 -7.625 -9.567 -3.792 49 2HB LYS 8 HB1 LYS 8 -9.321 -9.510 -3.334 50 1HG LYS 8 HG2 LYS 8 -9.475 -10.515 -5.375 51 2HG LYS 8 HG1 LYS 8 -9.648 -8.823 -5.846 52 1HD LYS 8 HD2 LYS 8 -6.959 -9.087 -5.931 53 2HD LYS 8 HD1 LYS 8 -7.455 -10.725 -6.364 54 1HE LYS 8 HE2 LYS 8 -8.258 -8.158 -7.724 55 2HE LYS 8 HE1 LYS 8 -7.202 -9.415 -8.367 56 1HZ LYS 8 HZ1 LYS 8 -10.080 -9.769 -7.721 57 2HZ LYS 8 HZ2 LYS 8 -9.060 -10.939 -8.392 58 3HZ LYS 8 HZ3 LYS 8 -9.448 -9.550 -9.275 59 H SER 9 HN SER 9 -6.172 -7.900 -2.916 60 HA SER 9 HA SER 9 -6.822 -7.553 -0.148 61 1HB SER 9 HB2 SER 9 -4.193 -7.864 -1.606 62 2HB SER 9 HB1 SER 9 -4.323 -7.746 0.147 63 HG SER 9 HG SER 9 -5.909 -9.585 -0.189 64 H LEU 10 HN LEU 10 -5.328 -5.589 -2.652 65 HA LEU 10 HA LEU 10 -4.406 -3.524 -0.972 66 1HB LEU 10 HB2 LEU 10 -5.224 -3.373 -3.869 67 2HB LEU 10 HB1 LEU 10 -4.247 -2.203 -3.016 68 HG LEU 10 HG LEU 10 -3.408 -5.067 -3.404 69 1HD1 LEU 10 HD11 LEU 10 -1.767 -3.627 -4.991 70 2HD1 LEU 10 HD12 LEU 10 -3.293 -2.776 -5.204 71 3HD1 LEU 10 HD13 LEU 10 -3.195 -4.496 -5.556 72 1HD2 LEU 10 HD21 LEU 10 -2.348 -2.763 -1.989 73 2HD2 LEU 10 HD22 LEU 10 -1.193 -3.483 -3.104 74 3HD2 LEU 10 HD23 LEU 10 -1.932 -4.470 -1.843 75 H THR 11 HN THR 11 -7.549 -4.461 -1.658 76 HA THR 11 HA THR 11 -8.496 -1.766 -0.910 77 HB THR 11 HB THR 11 -10.306 -1.830 -2.414 78 HG1 THR 11 HG1 THR 11 -11.139 -3.823 -2.425 79 1HG2 THR 11 HG21 THR 11 -8.070 -1.403 -3.477 80 2HG2 THR 11 HG22 THR 11 -9.289 -2.037 -4.582 81 3HG2 THR 11 HG23 THR 11 -8.038 -3.100 -3.948 82 H ASP 12 HN ASP 12 -8.012 -4.444 0.489 83 HA ASP 12 HA ASP 12 -10.721 -4.780 1.587 84 1HB ASP 12 HB2 ASP 12 -9.512 -6.805 0.560 85 2HB ASP 12 HB1 ASP 12 -8.435 -6.719 1.951 86 HA PRO 13 HA PRO 13 -9.104 -2.228 4.896 87 1HB PRO 13 HB2 PRO 13 -11.326 -3.726 6.257 88 2HB PRO 13 HB1 PRO 13 -10.884 -2.017 6.389 89 1HG PRO 13 HG2 PRO 13 -12.898 -2.719 4.838 90 2HG PRO 13 HG1 PRO 13 -11.728 -1.499 4.278 91 1HD PRO 13 HD2 PRO 13 -12.028 -4.366 3.472 92 2HD PRO 13 HD1 PRO 13 -11.520 -2.970 2.504 93 H LYS 14 HN LYS 14 -9.425 -5.704 4.964 94 HA LYS 14 HA LYS 14 -8.363 -6.199 7.526 95 1HB LYS 14 HB2 LYS 14 -9.360 -7.815 5.665 96 2HB LYS 14 HB1 LYS 14 -7.661 -8.019 5.265 97 1HG LYS 14 HG2 LYS 14 -8.934 -8.553 7.943 98 2HG LYS 14 HG1 LYS 14 -8.415 -9.765 6.772 99 1HD LYS 14 HD2 LYS 14 -6.614 -7.788 8.178 100 2HD LYS 14 HD1 LYS 14 -6.788 -9.496 8.590 101 1HE LYS 14 HE2 LYS 14 -5.775 -8.389 5.975 102 2HE LYS 14 HE1 LYS 14 -4.788 -9.106 7.247 103 1HZ LYS 14 HZ1 LYS 14 -5.240 -10.676 5.459 104 2HZ LYS 14 HZ2 LYS 14 -6.905 -10.520 5.717 105 3HZ LYS 14 HZ3 LYS 14 -5.924 -11.203 6.913 106 H LEU 15 HN LEU 15 -6.766 -6.073 4.361 107 HA LEU 15 HA LEU 15 -4.124 -6.187 5.425 108 1HB LEU 15 HB2 LEU 15 -5.193 -5.389 2.723 109 2HB LEU 15 HB1 LEU 15 -3.497 -5.491 3.085 110 HG LEU 15 HG LEU 15 -4.139 -7.467 1.908 111 1HD1 LEU 15 HD11 LEU 15 -4.009 -8.954 4.292 112 2HD1 LEU 15 HD12 LEU 15 -3.097 -7.464 4.555 113 3HD1 LEU 15 HD13 LEU 15 -2.689 -8.523 3.201 114 1HD2 LEU 15 HD21 LEU 15 -5.856 -8.982 2.679 115 2HD2 LEU 15 HD22 LEU 15 -6.545 -7.378 2.433 116 3HD2 LEU 15 HD23 LEU 15 -6.191 -7.944 4.065 117 H LEU 16 HN LEU 16 -6.143 -3.643 4.062 118 HA LEU 16 HA LEU 16 -4.380 -1.538 4.075 119 1HB LEU 16 HB2 LEU 16 -7.279 -1.257 4.833 120 2HB LEU 16 HB1 LEU 16 -6.277 -0.129 3.942 121 HG LEU 16 HG LEU 16 -7.023 -2.841 2.876 122 1HD1 LEU 16 HD11 LEU 16 -8.884 -2.013 1.845 123 2HD1 LEU 16 HD12 LEU 16 -8.310 -0.351 1.897 124 3HD1 LEU 16 HD13 LEU 16 -8.929 -1.112 3.360 125 1HD2 LEU 16 HD21 LEU 16 -4.996 -1.443 2.036 126 2HD2 LEU 16 HD22 LEU 16 -6.234 -0.470 1.241 127 3HD2 LEU 16 HD23 LEU 16 -6.094 -2.188 0.878 128 H LYS 17 HN LYS 17 -6.517 -2.551 6.750 129 HA LYS 17 HA LYS 17 -5.570 -0.570 8.555 130 1HB LYS 17 HB2 LYS 17 -6.966 -3.204 9.064 131 2HB LYS 17 HB1 LYS 17 -6.652 -1.996 10.299 132 1HG LYS 17 HG2 LYS 17 -8.099 -0.429 9.230 133 2HG LYS 17 HG1 LYS 17 -8.285 -1.485 7.828 134 1HD LYS 17 HD2 LYS 17 -9.500 -3.089 9.088 135 2HD LYS 17 HD1 LYS 17 -9.092 -2.297 10.612 136 1HE LYS 17 HE2 LYS 17 -10.390 -0.333 9.904 137 2HE LYS 17 HE1 LYS 17 -10.837 -1.176 8.423 138 1HZ LYS 17 HZ1 LYS 17 -12.518 -1.258 10.249 139 2HZ LYS 17 HZ2 LYS 17 -11.445 -2.221 11.131 140 3HZ LYS 17 HZ3 LYS 17 -12.053 -2.772 9.652 141 H ASN 18 HN ASN 18 -4.451 -3.655 7.537 142 HA ASN 18 HA ASN 18 -2.349 -3.652 9.606 143 1HB ASN 18 HB2 ASN 18 -4.077 -5.653 9.234 144 2HB ASN 18 HB1 ASN 18 -2.957 -6.068 7.948 145 1HD2 ASN 18 HD21 ASN 18 -2.632 -8.013 9.169 146 2HD2 ASN 18 HD22 ASN 18 -1.504 -8.019 10.476 147 H ILE 19 HN ILE 19 -1.521 -1.962 7.985 148 HA ILE 19 HA ILE 19 -0.775 -2.290 5.438 149 HB ILE 19 HB ILE 19 0.816 -1.031 7.649 150 1HG1 ILE 19 HG12 ILE 19 -1.280 0.081 7.027 151 2HG1 ILE 19 HG11 ILE 19 0.100 1.045 6.537 152 1HG2 ILE 19 HG21 ILE 19 1.446 -0.746 4.719 153 2HG2 ILE 19 HG22 ILE 19 2.287 -1.872 5.776 154 3HG2 ILE 19 HG23 ILE 19 2.368 -0.144 6.096 155 1HD1 ILE 19 HD11 ILE 19 -1.373 1.178 4.744 156 2HD1 ILE 19 HD12 ILE 19 -1.759 -0.540 4.801 157 3HD1 ILE 19 HD13 ILE 19 -0.175 -0.008 4.237 158 HA PRO 20 HA PRO 20 3.316 -4.812 6.730 159 1HB PRO 20 HB2 PRO 20 1.793 -6.354 8.805 160 2HB PRO 20 HB1 PRO 20 3.528 -6.003 8.719 161 1HG PRO 20 HG2 PRO 20 1.974 -4.633 10.370 162 2HG PRO 20 HG1 PRO 20 3.255 -3.815 9.462 163 1HD PRO 20 HD2 PRO 20 0.306 -3.765 9.046 164 2HD PRO 20 HD1 PRO 20 1.515 -2.502 8.733 165 H MET 21 HN MET 21 0.166 -6.240 7.468 166 HA MET 21 HA MET 21 0.406 -8.593 5.951 167 1HB MET 21 HB2 MET 21 -1.301 -7.756 7.780 168 2HB MET 21 HB1 MET 21 -2.225 -7.214 6.389 169 1HG MET 21 HG2 MET 21 -3.144 -9.236 6.526 170 2HG MET 21 HG1 MET 21 -1.699 -9.755 5.659 171 1HE MET 21 HE1 MET 21 0.506 -11.258 8.486 172 2HE MET 21 HE2 MET 21 0.592 -9.669 7.726 173 3HE MET 21 HE3 MET 21 0.281 -11.100 6.744 174 H TRP 22 HN TRP 22 -0.965 -5.410 5.210 175 HA TRP 22 HA TRP 22 -1.913 -5.822 2.660 176 1HB TRP 22 HB2 TRP 22 -2.169 -3.761 4.011 177 2HB TRP 22 HB1 TRP 22 -0.486 -3.371 3.731 178 HD1 TRP 22 HD1 TRP 22 -3.809 -3.682 1.798 179 HE1 TRP 22 HE1 TRP 22 -3.671 -2.150 -0.263 180 HE3 TRP 22 HE3 TRP 22 1.067 -2.184 2.227 181 HZ2 TRP 22 HZ2 TRP 22 -1.758 -0.533 -1.549 182 HZ3 TRP 22 HZ3 TRP 22 1.975 -0.648 0.520 183 HH2 TRP 22 HH2 TRP 22 0.589 0.164 -1.318 184 H LEU 23 HN LEU 23 1.349 -5.273 3.807 185 HA LEU 23 HA LEU 23 2.542 -5.136 1.213 186 1HB LEU 23 HB2 LEU 23 3.639 -5.446 4.002 187 2HB LEU 23 HB1 LEU 23 4.655 -5.400 2.581 188 HG LEU 23 HG LEU 23 2.768 -3.184 3.371 189 1HD1 LEU 23 HD11 LEU 23 5.017 -2.023 3.865 190 2HD1 LEU 23 HD12 LEU 23 5.645 -3.665 4.031 191 3HD1 LEU 23 HD13 LEU 23 4.330 -3.111 5.068 192 1HD2 LEU 23 HD21 LEU 23 3.953 -1.867 1.737 193 2HD2 LEU 23 HD22 LEU 23 3.325 -3.327 0.974 194 3HD2 LEU 23 HD23 LEU 23 5.035 -3.214 1.388 195 H LYS 24 HN LYS 24 1.746 -7.669 3.501 196 HA LYS 24 HA LYS 24 3.436 -9.700 2.767 197 1HB LYS 24 HB2 LYS 24 0.964 -9.345 4.151 198 2HB LYS 24 HB1 LYS 24 0.806 -10.728 3.100 199 1HG LYS 24 HG2 LYS 24 1.501 -11.173 5.427 200 2HG LYS 24 HG1 LYS 24 2.529 -11.879 4.190 201 1HD LYS 24 HD2 LYS 24 4.095 -11.022 5.601 202 2HD LYS 24 HD1 LYS 24 3.863 -9.641 4.541 203 1HE LYS 24 HE2 LYS 24 2.213 -8.741 6.150 204 2HE LYS 24 HE1 LYS 24 2.590 -10.077 7.234 205 1HZ LYS 24 HZ1 LYS 24 4.931 -9.279 7.210 206 2HZ LYS 24 HZ2 LYS 24 3.840 -8.202 7.926 207 3HZ LYS 24 HZ3 LYS 24 4.413 -7.907 6.362 208 H SER 25 HN SER 25 0.384 -8.676 1.292 209 HA SER 25 HA SER 25 0.451 -10.680 -0.755 210 1HB SER 25 HB2 SER 25 -1.697 -9.850 -0.017 211 2HB SER 25 HB1 SER 25 -1.252 -8.194 -0.427 212 HG SER 25 HG SER 25 -1.458 -10.335 -2.282 213 H LEU 26 HN LEU 26 2.127 -7.829 -0.302 214 HA LEU 26 HA LEU 26 2.497 -7.414 -3.193 215 1HB LEU 26 HB2 LEU 26 3.194 -5.545 -0.931 216 2HB LEU 26 HB1 LEU 26 3.322 -5.197 -2.645 217 HG LEU 26 HG LEU 26 0.746 -5.741 -1.180 218 1HD1 LEU 26 HD11 LEU 26 0.308 -3.352 -1.489 219 2HD1 LEU 26 HD12 LEU 26 1.918 -3.145 -2.179 220 3HD1 LEU 26 HD13 LEU 26 1.736 -3.625 -0.492 221 1HD2 LEU 26 HD21 LEU 26 0.225 -4.436 -3.568 222 2HD2 LEU 26 HD22 LEU 26 -0.047 -6.142 -3.220 223 3HD2 LEU 26 HD23 LEU 26 1.456 -5.628 -3.987 224 H ARG 27 HN ARG 27 3.862 -8.977 -0.681 225 HA ARG 27 HA ARG 27 5.895 -9.917 -0.300 226 1HB ARG 27 HB2 ARG 27 6.098 -9.147 -3.176 227 2HB ARG 27 HB1 ARG 27 7.559 -9.659 -2.344 228 1HG ARG 27 HG2 ARG 27 5.029 -11.283 -2.421 229 2HG ARG 27 HG1 ARG 27 6.359 -11.468 -3.568 230 1HD ARG 27 HD2 ARG 27 6.555 -11.790 -0.575 231 2HD ARG 27 HD1 ARG 27 6.490 -13.107 -1.747 232 HE ARG 27 HE ARG 27 8.621 -11.378 -2.383 233 1HH1 ARG 27 HH11 ARG 27 7.686 -13.753 -0.009 234 2HH1 ARG 27 HH12 ARG 27 9.314 -14.220 0.351 235 1HH2 ARG 27 HH21 ARG 27 10.767 -11.988 -1.914 236 2HH2 ARG 27 HH22 ARG 27 11.064 -13.219 -0.733 237 H LEU 28 HN LEU 28 5.340 -6.977 0.139 238 HA LEU 28 HA LEU 28 8.150 -6.063 0.375 239 1HB LEU 28 HB2 LEU 28 5.578 -4.496 0.076 240 2HB LEU 28 HB1 LEU 28 7.104 -3.751 0.529 241 HG LEU 28 HG LEU 28 6.991 -5.395 -1.965 242 1HD1 LEU 28 HD11 LEU 28 6.509 -2.779 -2.774 243 2HD1 LEU 28 HD12 LEU 28 5.340 -3.087 -1.488 244 3HD1 LEU 28 HD13 LEU 28 5.410 -4.154 -2.890 245 1HD2 LEU 28 HD21 LEU 28 9.052 -4.268 -0.888 246 2HD2 LEU 28 HD22 LEU 28 8.391 -2.777 -1.565 247 3HD2 LEU 28 HD23 LEU 28 8.801 -4.125 -2.626 248 H HIS 29 HN HIS 29 6.374 -7.748 2.169 249 HA HIS 29 HA HIS 29 5.785 -6.259 4.481 250 1HB HIS 29 HB2 HIS 29 6.005 -8.443 5.673 251 2HB HIS 29 HB1 HIS 29 4.954 -8.509 4.265 252 HD1 HIS 29 HD1 HIS 29 5.746 -9.898 2.245 253 HD2 HIS 29 HD2 HIS 29 8.357 -9.967 5.477 254 HE1 HIS 29 HE1 HIS 29 7.365 -11.756 1.758 255 HE2 HIS 29 HE2 HIS 29 8.872 -11.850 3.778 256 H LYS 30 HN LYS 30 8.615 -7.082 2.915 257 HA LYS 30 HA LYS 30 10.558 -7.269 4.879 258 1HB LYS 30 HB2 LYS 30 11.935 -6.022 3.041 259 2HB LYS 30 HB1 LYS 30 11.306 -7.616 2.686 260 1HG LYS 30 HG2 LYS 30 9.294 -5.938 1.872 261 2HG LYS 30 HG1 LYS 30 10.754 -5.045 1.473 262 1HD LYS 30 HD2 LYS 30 10.816 -7.900 0.792 263 2HD LYS 30 HD1 LYS 30 9.657 -6.925 -0.117 264 1HE LYS 30 HE2 LYS 30 11.420 -5.351 -0.655 265 2HE LYS 30 HE1 LYS 30 12.587 -6.347 0.206 266 1HZ LYS 30 HZ1 LYS 30 12.134 -8.146 -1.359 267 2HZ LYS 30 HZ2 LYS 30 12.684 -6.765 -2.167 268 3HZ LYS 30 HZ3 LYS 30 11.040 -7.164 -2.198 269 H TYR 31 HN TYR 31 8.919 -4.551 3.451 270 HA TYR 31 HA TYR 31 10.209 -2.669 5.280 271 1HB TYR 31 HB2 TYR 31 8.497 -2.182 2.837 272 2HB TYR 31 HB1 TYR 31 9.313 -0.944 3.785 273 HD1 TYR 31 HD1 TYR 31 9.500 -2.672 0.845 274 HD2 TYR 31 HD2 TYR 31 11.963 -1.636 4.155 275 HE1 TYR 31 HE1 TYR 31 11.502 -2.985 -0.548 276 HE2 TYR 31 HE2 TYR 31 13.971 -1.938 2.767 277 HH TYR 31 HH TYR 31 13.834 -2.245 -0.615 278 H SER 32 HN SER 32 8.109 -4.616 6.024 279 HA SER 32 HA SER 32 5.626 -3.322 6.305 280 1HB SER 32 HB2 SER 32 5.095 -5.050 7.953 281 2HB SER 32 HB1 SER 32 5.902 -5.765 6.558 282 HG SER 32 HG SER 32 6.734 -5.575 9.175 283 H ASP 33 HN ASP 33 8.384 -3.629 8.515 284 HA ASP 33 HA ASP 33 7.255 -2.225 10.649 285 1HB ASP 33 HB2 ASP 33 10.122 -2.636 9.806 286 2HB ASP 33 HB1 ASP 33 9.642 -1.925 11.331 287 H ALA 34 HN ALA 34 9.036 -1.148 7.810 288 HA ALA 34 HA ALA 34 9.294 1.566 8.693 289 1HB ALA 34 HB1 ALA 34 10.369 1.985 6.664 290 2HB ALA 34 HB2 ALA 34 9.563 0.644 5.856 291 3HB ALA 34 HB3 ALA 34 10.811 0.327 7.063 292 H LEU 35 HN LEU 35 6.937 -0.235 6.901 293 HA LEU 35 HA LEU 35 5.578 2.244 6.122 294 1HB LEU 35 HB2 LEU 35 5.595 -0.548 5.094 295 2HB LEU 35 HB1 LEU 35 4.145 0.406 4.862 296 HG LEU 35 HG LEU 35 5.048 1.621 3.212 297 1HD1 LEU 35 HD11 LEU 35 7.383 2.436 3.131 298 2HD1 LEU 35 HD12 LEU 35 7.692 1.646 4.673 299 3HD1 LEU 35 HD13 LEU 35 6.506 2.944 4.569 300 1HD2 LEU 35 HD21 LEU 35 5.515 -0.432 2.251 301 2HD2 LEU 35 HD22 LEU 35 6.829 -0.799 3.373 302 3HD2 LEU 35 HD23 LEU 35 7.053 0.414 2.104 303 H SER 36 HN SER 36 5.437 -0.142 8.502 304 HA SER 36 HA SER 36 2.634 -0.427 8.784 305 1HB SER 36 HB2 SER 36 4.095 -2.042 9.837 306 2HB SER 36 HB1 SER 36 4.862 -0.784 10.806 307 HG SER 36 HG SER 36 3.257 -0.866 12.166 308 H GLY 37 HN GLY 37 4.999 1.742 10.303 309 1HA GLY 37 HA2 GLY 37 3.311 3.011 12.125 310 2HA GLY 37 HA1 GLY 37 4.731 3.746 11.393 311 H THR 38 HN THR 38 3.145 3.033 8.766 312 HA THR 38 HA THR 38 1.535 5.494 8.781 313 HB THR 38 HB THR 38 2.927 4.261 6.391 314 HG1 THR 38 HG1 THR 38 4.225 6.301 6.736 315 1HG2 THR 38 HG21 THR 38 0.813 5.837 6.256 316 2HG2 THR 38 HG22 THR 38 2.177 6.049 5.156 317 3HG2 THR 38 HG23 THR 38 2.010 7.096 6.567 318 HA PRO 39 HA PRO 39 -1.890 2.692 7.948 319 1HB PRO 39 HB2 PRO 39 -3.729 4.566 7.289 320 2HB PRO 39 HB1 PRO 39 -3.226 4.282 8.958 321 1HG PRO 39 HG2 PRO 39 -2.215 6.329 7.018 322 2HG PRO 39 HG1 PRO 39 -2.772 6.578 8.682 323 1HD PRO 39 HD2 PRO 39 -0.175 6.412 8.157 324 2HD PRO 39 HD1 PRO 39 -0.845 5.595 9.588 325 H TRP 40 HN TRP 40 -3.632 2.571 6.073 326 HA TRP 40 HA TRP 40 -2.143 2.439 3.641 327 1HB TRP 40 HB2 TRP 40 -4.112 1.559 2.601 328 2HB TRP 40 HB1 TRP 40 -3.965 0.829 4.187 329 HD1 TRP 40 HD1 TRP 40 -5.760 1.694 6.081 330 HE1 TRP 40 HE1 TRP 40 -8.156 2.595 5.789 331 HE3 TRP 40 HE3 TRP 40 -5.590 2.902 1.109 332 HZ2 TRP 40 HZ2 TRP 40 -9.751 3.687 3.739 333 HZ3 TRP 40 HZ3 TRP 40 -7.591 3.873 0.066 334 HH2 TRP 40 HH2 TRP 40 -9.628 4.257 1.352 335 H ILE 41 HN ILE 41 -4.839 4.455 4.772 336 HA ILE 41 HA ILE 41 -5.283 5.953 2.513 337 HB ILE 41 HB ILE 41 -6.432 6.055 4.844 338 1HG1 ILE 41 HG12 ILE 41 -6.864 8.664 4.229 339 2HG1 ILE 41 HG11 ILE 41 -6.141 8.096 2.723 340 1HG2 ILE 41 HG21 ILE 41 -4.577 8.405 5.160 341 2HG2 ILE 41 HG22 ILE 41 -4.342 6.863 5.983 342 3HG2 ILE 41 HG23 ILE 41 -5.790 7.820 6.300 343 1HD1 ILE 41 HD11 ILE 41 -8.493 6.790 4.066 344 2HD1 ILE 41 HD12 ILE 41 -7.835 6.430 2.470 345 3HD1 ILE 41 HD13 ILE 41 -8.614 7.983 2.774 346 H GLU 42 HN GLU 42 -2.571 6.044 4.677 347 HA GLU 42 HA GLU 42 -1.568 8.506 3.445 348 1HB GLU 42 HB2 GLU 42 -0.665 6.906 5.838 349 2HB GLU 42 HB1 GLU 42 0.277 8.233 5.173 350 1HG GLU 42 HG2 GLU 42 -2.532 8.439 6.238 351 2HG GLU 42 HG1 GLU 42 -1.066 8.923 7.093 352 H LEU 43 HN LEU 43 -0.911 5.096 3.814 353 HA LEU 43 HA LEU 43 1.589 4.882 2.608 354 1HB LEU 43 HB2 LEU 43 -0.532 3.168 3.397 355 2HB LEU 43 HB1 LEU 43 -0.055 2.705 1.781 356 HG LEU 43 HG LEU 43 1.097 1.384 3.501 357 1HD1 LEU 43 HD11 LEU 43 3.408 1.777 2.704 358 2HD1 LEU 43 HD12 LEU 43 2.840 3.249 1.919 359 3HD1 LEU 43 HD13 LEU 43 2.218 1.681 1.407 360 1HD2 LEU 43 HD21 LEU 43 2.199 2.245 5.253 361 2HD2 LEU 43 HD22 LEU 43 1.200 3.666 4.950 362 3HD2 LEU 43 HD23 LEU 43 2.843 3.593 4.319 363 H ILE 44 HN ILE 44 -1.587 4.358 1.187 364 HA ILE 44 HA ILE 44 -0.891 4.212 -1.480 365 HB ILE 44 HB ILE 44 -3.218 4.624 -1.967 366 1HG1 ILE 44 HG12 ILE 44 -3.650 5.394 0.918 367 2HG1 ILE 44 HG11 ILE 44 -3.342 6.597 -0.316 368 1HG2 ILE 44 HG21 ILE 44 -4.228 3.094 -0.142 369 2HG2 ILE 44 HG22 ILE 44 -2.577 3.002 0.470 370 3HG2 ILE 44 HG23 ILE 44 -2.944 2.464 -1.171 371 1HD1 ILE 44 HD11 ILE 44 -5.769 6.012 0.377 372 2HD1 ILE 44 HD12 ILE 44 -5.544 4.631 -0.696 373 3HD1 ILE 44 HD13 ILE 44 -5.379 6.269 -1.320 374 H TYR 45 HN TYR 45 -0.740 6.895 0.571 375 HA TYR 45 HA TYR 45 -0.937 8.787 -1.669 376 1HB TYR 45 HB2 TYR 45 -1.273 9.052 1.284 377 2HB TYR 45 HB1 TYR 45 -0.751 10.458 0.366 378 HD1 TYR 45 HD1 TYR 45 -2.991 8.099 -1.298 379 HD2 TYR 45 HD2 TYR 45 -2.803 11.599 1.123 380 HE1 TYR 45 HE1 TYR 45 -5.344 8.593 -1.834 381 HE2 TYR 45 HE2 TYR 45 -5.145 12.104 0.583 382 HH TYR 45 HH TYR 45 -7.223 9.862 -0.880 383 H LEU 46 HN LEU 46 1.359 7.163 0.232 384 HA LEU 46 HA LEU 46 3.397 9.084 0.446 385 1HB LEU 46 HB2 LEU 46 3.743 6.116 0.029 386 2HB LEU 46 HB1 LEU 46 4.943 7.215 0.655 387 HG LEU 46 HG LEU 46 2.431 6.294 2.024 388 1HD1 LEU 46 HD11 LEU 46 4.091 5.553 3.728 389 2HD1 LEU 46 HD12 LEU 46 5.376 6.005 2.601 390 3HD1 LEU 46 HD13 LEU 46 4.232 4.727 2.176 391 1HD2 LEU 46 HD21 LEU 46 4.139 8.665 2.528 392 2HD2 LEU 46 HD22 LEU 46 3.616 7.719 3.920 393 3HD2 LEU 46 HD23 LEU 46 2.418 8.422 2.832 394 H ASP 47 HN ASP 47 5.613 8.133 -0.721 395 HA ASP 47 HA ASP 47 5.204 7.791 -3.566 396 1HB ASP 47 HB2 ASP 47 6.721 10.192 -2.518 397 2HB ASP 47 HB1 ASP 47 6.536 9.737 -4.207 398 H ASP 48 HN ASP 48 7.358 7.559 -4.679 399 HA ASP 48 HA ASP 48 8.889 5.562 -3.601 400 1HB ASP 48 HB2 ASP 48 9.844 5.667 -5.621 401 2HB ASP 48 HB1 ASP 48 8.936 7.138 -5.930 402 H GLU 49 HN GLU 49 9.398 9.040 -3.369 403 HA GLU 49 HA GLU 49 11.872 8.956 -2.028 404 1HB GLU 49 HB2 GLU 49 10.904 10.961 -3.157 405 2HB GLU 49 HB1 GLU 49 9.777 11.114 -1.815 406 1HG GLU 49 HG2 GLU 49 11.647 11.414 -0.274 407 2HG GLU 49 HG1 GLU 49 12.777 11.257 -1.619 408 H THR 50 HN THR 50 8.576 9.398 -0.689 409 HA THR 50 HA THR 50 9.327 9.563 1.992 410 HB THR 50 HB THR 50 6.779 8.417 0.832 411 HG1 THR 50 HG1 THR 50 6.300 10.451 0.537 412 1HG2 THR 50 HG21 THR 50 7.146 7.676 3.147 413 2HG2 THR 50 HG22 THR 50 5.804 8.817 3.036 414 3HG2 THR 50 HG23 THR 50 7.369 9.355 3.644 415 H LEU 51 HN LEU 51 8.413 6.735 0.071 416 HA LEU 51 HA LEU 51 8.511 4.751 1.982 417 1HB LEU 51 HB2 LEU 51 9.234 4.804 -0.932 418 2HB LEU 51 HB1 LEU 51 9.314 3.319 -0.007 419 HG LEU 51 HG LEU 51 6.807 4.978 -0.203 420 1HD1 LEU 51 HD11 LEU 51 6.027 3.533 -1.935 421 2HD1 LEU 51 HD12 LEU 51 7.486 2.550 -1.843 422 3HD1 LEU 51 HD13 LEU 51 7.576 4.206 -2.441 423 1HD2 LEU 51 HD21 LEU 51 7.380 2.158 0.684 424 2HD2 LEU 51 HD22 LEU 51 5.762 2.809 0.437 425 3HD2 LEU 51 HD23 LEU 51 6.808 3.499 1.676 426 H GLU 52 HN GLU 52 11.177 6.202 0.158 427 HA GLU 52 HA GLU 52 13.241 4.542 1.098 428 1HB GLU 52 HB2 GLU 52 13.269 6.350 -0.756 429 2HB GLU 52 HB1 GLU 52 13.601 7.481 0.552 430 1HG GLU 52 HG2 GLU 52 15.573 6.076 1.158 431 2HG GLU 52 HG1 GLU 52 15.285 5.141 -0.308 432 H LYS 53 HN LYS 53 11.911 7.575 2.241 433 HA LYS 53 HA LYS 53 13.591 8.028 4.412 434 1HB LYS 53 HB2 LYS 53 10.712 8.717 4.004 435 2HB LYS 53 HB1 LYS 53 11.637 9.315 5.366 436 1HG LYS 53 HG2 LYS 53 12.102 9.848 2.450 437 2HG LYS 53 HG1 LYS 53 11.502 10.989 3.648 438 1HD LYS 53 HD2 LYS 53 13.700 11.611 3.598 439 2HD LYS 53 HD1 LYS 53 13.799 10.339 4.824 440 1HE LYS 53 HE2 LYS 53 14.044 8.842 2.655 441 2HE LYS 53 HE1 LYS 53 14.717 10.344 2.008 442 1HZ LYS 53 HZ1 LYS 53 16.453 8.960 2.955 443 2HZ LYS 53 HZ2 LYS 53 15.662 8.931 4.450 444 3HZ LYS 53 HZ3 LYS 53 16.293 10.383 3.855 445 H LYS 54 HN LYS 54 10.818 5.889 4.116 446 HA LYS 54 HA LYS 54 10.579 5.328 6.906 447 1HB LYS 54 HB2 LYS 54 9.679 3.420 4.776 448 2HB LYS 54 HB1 LYS 54 8.909 3.826 6.302 449 1HG LYS 54 HG2 LYS 54 9.076 5.643 3.916 450 2HG LYS 54 HG1 LYS 54 7.667 4.687 4.372 451 1HD LYS 54 HD2 LYS 54 8.584 6.188 6.630 452 2HD LYS 54 HD1 LYS 54 8.363 7.268 5.252 453 1HE LYS 54 HE2 LYS 54 6.106 6.733 5.042 454 2HE LYS 54 HE1 LYS 54 6.290 5.235 5.955 455 1HZ LYS 54 HZ1 LYS 54 6.706 7.886 7.206 456 2HZ LYS 54 HZ2 LYS 54 6.405 6.405 7.964 457 3HZ LYS 54 HZ3 LYS 54 5.170 7.185 7.113 458 H GLY 55 HN GLY 55 11.718 3.459 4.140 459 1HA GLY 55 HA2 GLY 55 14.086 2.533 5.194 460 2HA GLY 55 HA1 GLY 55 12.863 1.356 5.662 461 H VAL 56 HN VAL 56 11.434 2.254 3.089 462 HA VAL 56 HA VAL 56 12.342 0.148 1.423 463 HB VAL 56 HB VAL 56 10.658 2.461 0.508 464 1HG1 VAL 56 HG11 VAL 56 9.586 0.767 -0.890 465 2HG1 VAL 56 HG12 VAL 56 10.714 -0.421 -0.262 466 3HG1 VAL 56 HG13 VAL 56 11.311 0.925 -1.215 467 1HG2 VAL 56 HG21 VAL 56 8.756 0.778 1.255 468 2HG2 VAL 56 HG22 VAL 56 9.399 1.995 2.359 469 3HG2 VAL 56 HG23 VAL 56 9.974 0.330 2.448 470 H LEU 57 HN LEU 57 14.559 0.606 1.166 471 HA LEU 57 HA LEU 57 15.379 3.057 -0.145 472 1HB LEU 57 HB2 LEU 57 16.747 0.720 1.093 473 2HB LEU 57 HB1 LEU 57 17.645 1.711 -0.041 474 HG LEU 57 HG LEU 57 17.805 3.473 1.406 475 1HD1 LEU 57 HD11 LEU 57 16.152 3.830 3.300 476 2HD1 LEU 57 HD12 LEU 57 15.158 2.597 2.523 477 3HD1 LEU 57 HD13 LEU 57 15.548 4.084 1.663 478 1HD2 LEU 57 HD21 LEU 57 18.697 1.359 2.472 479 2HD2 LEU 57 HD22 LEU 57 17.239 1.361 3.467 480 3HD2 LEU 57 HD23 LEU 57 18.375 2.708 3.561 481 H ALA 58 HN ALA 58 14.487 -0.109 -1.080 482 HA ALA 58 HA ALA 58 16.070 -0.338 -3.436 483 1HB ALA 58 HB1 ALA 58 15.047 -2.326 -3.741 484 2HB ALA 58 HB2 ALA 58 13.453 -1.680 -3.347 485 3HB ALA 58 HB3 ALA 58 14.587 -2.084 -2.054 486 H LEU 59 HN LEU 59 15.956 1.071 -5.044 487 HA LEU 59 HA LEU 59 13.860 2.758 -5.674 488 1HB LEU 59 HB2 LEU 59 16.160 1.624 -7.190 489 2HB LEU 59 HB1 LEU 59 14.880 2.374 -8.124 490 HG LEU 59 HG LEU 59 16.732 3.921 -7.665 491 1HD1 LEU 59 HD11 LEU 59 15.344 5.762 -6.747 492 2HD1 LEU 59 HD12 LEU 59 14.107 4.570 -6.347 493 3HD1 LEU 59 HD13 LEU 59 14.552 4.849 -8.031 494 1HD2 LEU 59 HD21 LEU 59 17.149 4.733 -5.422 495 2HD2 LEU 59 HD22 LEU 59 17.395 2.988 -5.484 496 3HD2 LEU 59 HD23 LEU 59 15.923 3.645 -4.772 497 H GLY 60 HN GLY 60 14.371 -0.587 -6.317 498 1HA GLY 60 HA2 GLY 60 12.324 -0.875 -8.275 499 2HA GLY 60 HA1 GLY 60 13.140 -2.175 -7.429 500 H ALA 61 HN ALA 61 12.509 -1.423 -4.785 501 HA ALA 61 HA ALA 61 9.904 -2.545 -4.587 502 1HB ALA 61 HB1 ALA 61 10.461 -3.007 -2.473 503 2HB ALA 61 HB2 ALA 61 11.084 -1.390 -2.160 504 3HB ALA 61 HB3 ALA 61 12.081 -2.578 -3.003 505 H ARG 62 HN ARG 62 11.207 0.655 -3.578 506 HA ARG 62 HA ARG 62 8.726 1.568 -2.647 507 1HB ARG 62 HB2 ARG 62 9.721 3.817 -2.674 508 2HB ARG 62 HB1 ARG 62 10.738 2.632 -1.901 509 1HG ARG 62 HG2 ARG 62 11.990 2.491 -4.107 510 2HG ARG 62 HG1 ARG 62 11.125 3.969 -4.540 511 1HD ARG 62 HD2 ARG 62 11.982 5.009 -2.443 512 2HD ARG 62 HD1 ARG 62 12.940 3.561 -2.170 513 HE ARG 62 HE ARG 62 13.973 4.149 -4.422 514 1HH1 ARG 62 HH11 ARG 62 12.698 6.535 -2.230 515 2HH1 ARG 62 HH12 ARG 62 13.813 7.767 -2.715 516 1HH2 ARG 62 HH21 ARG 62 15.461 5.776 -5.053 517 2HH2 ARG 62 HH22 ARG 62 15.375 7.337 -4.314 518 H ARG 63 HN ARG 63 10.425 2.565 -5.609 519 HA ARG 63 HA ARG 63 8.410 4.049 -6.745 520 1HB ARG 63 HB2 ARG 63 10.399 2.244 -8.120 521 2HB ARG 63 HB1 ARG 63 9.381 3.399 -8.965 522 1HG ARG 63 HG2 ARG 63 10.414 5.217 -7.655 523 2HG ARG 63 HG1 ARG 63 11.489 4.031 -6.910 524 1HD ARG 63 HD2 ARG 63 12.545 5.221 -8.797 525 2HD ARG 63 HD1 ARG 63 12.441 3.481 -9.060 526 HE ARG 63 HE ARG 63 10.382 5.225 -10.205 527 1HH1 ARG 63 HH11 ARG 63 13.076 3.057 -10.632 528 2HH1 ARG 63 HH12 ARG 63 12.805 2.849 -12.330 529 1HH2 ARG 63 HH21 ARG 63 10.016 4.953 -12.438 530 2HH2 ARG 63 HH22 ARG 63 11.065 3.925 -13.356 531 H LYS 64 HN LYS 64 8.638 0.624 -6.329 532 HA LYS 64 HA LYS 64 6.600 -0.071 -8.239 533 1HB LYS 64 HB2 LYS 64 8.296 -1.699 -7.670 534 2HB LYS 64 HB1 LYS 64 7.863 -1.608 -5.965 535 1HG LYS 64 HG2 LYS 64 5.750 -2.654 -6.389 536 2HG LYS 64 HG1 LYS 64 6.014 -2.589 -8.132 537 1HD LYS 64 HD2 LYS 64 7.769 -4.111 -6.210 538 2HD LYS 64 HD1 LYS 64 6.430 -4.830 -7.108 539 1HE LYS 64 HE2 LYS 64 8.832 -3.472 -8.330 540 2HE LYS 64 HE1 LYS 64 8.602 -5.214 -8.199 541 1HZ LYS 64 HZ1 LYS 64 6.673 -5.055 -9.615 542 2HZ LYS 64 HZ2 LYS 64 8.003 -4.358 -10.394 543 3HZ LYS 64 HZ3 LYS 64 6.819 -3.371 -9.696 544 H LEU 65 HN LEU 65 6.756 0.427 -4.744 545 HA LEU 65 HA LEU 65 4.185 -0.405 -4.080 546 1HB LEU 65 HB2 LEU 65 6.210 1.371 -2.877 547 2HB LEU 65 HB1 LEU 65 4.562 1.593 -2.317 548 HG LEU 65 HG LEU 65 5.426 -1.198 -2.403 549 1HD1 LEU 65 HD11 LEU 65 6.785 0.764 -0.576 550 2HD1 LEU 65 HD12 LEU 65 7.535 -0.314 -1.754 551 3HD1 LEU 65 HD13 LEU 65 6.759 -0.981 -0.318 552 1HD2 LEU 65 HD21 LEU 65 4.415 -1.136 -0.124 553 2HD2 LEU 65 HD22 LEU 65 3.333 -0.621 -1.417 554 3HD2 LEU 65 HD23 LEU 65 4.095 0.580 -0.373 555 H LEU 66 HN LEU 66 5.306 2.443 -5.675 556 HA LEU 66 HA LEU 66 3.115 4.142 -5.222 557 1HB LEU 66 HB2 LEU 66 5.247 3.968 -7.309 558 2HB LEU 66 HB1 LEU 66 3.893 5.056 -7.561 559 HG LEU 66 HG LEU 66 5.299 5.240 -4.953 560 1HD1 LEU 66 HD11 LEU 66 6.550 5.828 -7.585 561 2HD1 LEU 66 HD12 LEU 66 7.283 5.259 -6.082 562 3HD1 LEU 66 HD13 LEU 66 6.820 6.953 -6.254 563 1HD2 LEU 66 HD21 LEU 66 4.857 7.642 -5.344 564 2HD2 LEU 66 HD22 LEU 66 3.397 6.654 -5.385 565 3HD2 LEU 66 HD23 LEU 66 4.119 7.226 -6.890 566 H LYS 67 HN LYS 67 3.485 1.331 -7.159 567 HA LYS 67 HA LYS 67 1.321 1.921 -8.961 568 1HB LYS 67 HB2 LYS 67 3.404 0.299 -9.220 569 2HB LYS 67 HB1 LYS 67 2.308 -0.856 -8.474 570 1HG LYS 67 HG2 LYS 67 1.476 0.737 -10.871 571 2HG LYS 67 HG1 LYS 67 2.432 -0.735 -11.042 572 1HD LYS 67 HD2 LYS 67 -0.052 -0.779 -9.385 573 2HD LYS 67 HD1 LYS 67 -0.178 -0.833 -11.143 574 1HE LYS 67 HE2 LYS 67 1.410 -2.732 -9.431 575 2HE LYS 67 HE1 LYS 67 -0.154 -3.076 -10.167 576 1HZ LYS 67 HZ1 LYS 67 0.851 -2.788 -12.345 577 2HZ LYS 67 HZ2 LYS 67 1.659 -3.991 -11.473 578 3HZ LYS 67 HZ3 LYS 67 2.351 -2.456 -11.637 579 H ALA 68 HN ALA 68 1.865 0.154 -5.987 580 HA ALA 68 HA ALA 68 -0.744 -1.005 -5.846 581 1HB ALA 68 HB1 ALA 68 -0.118 -1.485 -3.478 582 2HB ALA 68 HB2 ALA 68 1.391 -0.606 -3.743 583 3HB ALA 68 HB3 ALA 68 1.048 -2.073 -4.660 584 H PHE 69 HN PHE 69 0.731 1.977 -4.833 585 HA PHE 69 HA PHE 69 -1.169 2.860 -2.966 586 1HB PHE 69 HB2 PHE 69 0.690 4.369 -4.810 587 2HB PHE 69 HB1 PHE 69 -0.272 5.138 -3.563 588 HD1 PHE 69 HD1 PHE 69 0.393 2.295 -1.924 589 HD2 PHE 69 HD2 PHE 69 2.522 5.608 -3.542 590 HE1 PHE 69 HE1 PHE 69 2.199 1.929 -0.301 591 HE2 PHE 69 HE2 PHE 69 4.331 5.242 -1.918 592 HZ PHE 69 HZ PHE 69 4.168 3.405 -0.288 593 H GLY 70 HN GLY 70 -1.013 3.161 -6.485 594 1HA GLY 70 HA2 GLY 70 -3.195 4.988 -6.677 595 2HA GLY 70 HA1 GLY 70 -2.464 4.109 -8.007 596 H ILE 71 HN ILE 71 -2.948 1.496 -7.350 597 HA ILE 71 HA ILE 71 -5.558 1.105 -8.210 598 HB ILE 71 HB ILE 71 -3.966 -0.849 -6.544 599 1HG1 ILE 71 HG12 ILE 71 -3.986 -0.843 -9.537 600 2HG1 ILE 71 HG11 ILE 71 -2.913 0.265 -8.690 601 1HG2 ILE 71 HG21 ILE 71 -6.041 -1.356 -8.672 602 2HG2 ILE 71 HG22 ILE 71 -6.371 -1.376 -6.940 603 3HG2 ILE 71 HG23 ILE 71 -5.257 -2.551 -7.640 604 1HD1 ILE 71 HD11 ILE 71 -2.954 -2.698 -8.209 605 2HD1 ILE 71 HD12 ILE 71 -1.761 -1.524 -7.647 606 3HD1 ILE 71 HD13 ILE 71 -1.887 -1.902 -9.366 607 H VAL 72 HN VAL 72 -4.273 1.397 -4.956 608 HA VAL 72 HA VAL 72 -6.666 0.567 -3.623 609 HB VAL 72 HB VAL 72 -4.433 2.303 -2.555 610 1HG1 VAL 72 HG11 VAL 72 -5.206 1.656 -0.362 611 2HG1 VAL 72 HG12 VAL 72 -6.457 0.640 -1.059 612 3HG1 VAL 72 HG13 VAL 72 -6.534 2.387 -1.260 613 1HG2 VAL 72 HG21 VAL 72 -3.865 -0.046 -3.469 614 2HG2 VAL 72 HG22 VAL 72 -4.694 -0.634 -2.029 615 3HG2 VAL 72 HG23 VAL 72 -3.285 0.412 -1.869 616 H ILE 73 HN ILE 73 -5.195 3.677 -4.419 617 HA ILE 73 HA ILE 73 -7.043 5.373 -3.231 618 HB ILE 73 HB ILE 73 -5.215 5.691 -5.592 619 1HG1 ILE 73 HG12 ILE 73 -5.292 7.123 -2.936 620 2HG1 ILE 73 HG11 ILE 73 -4.377 5.646 -3.215 621 1HG2 ILE 73 HG21 ILE 73 -5.854 8.216 -5.269 622 2HG2 ILE 73 HG22 ILE 73 -7.374 7.535 -4.688 623 3HG2 ILE 73 HG23 ILE 73 -6.813 7.173 -6.320 624 1HD1 ILE 73 HD11 ILE 73 -3.935 8.003 -4.984 625 2HD1 ILE 73 HD12 ILE 73 -2.831 6.700 -4.538 626 3HD1 ILE 73 HD13 ILE 73 -3.219 7.964 -3.374 627 H ASP 74 HN ASP 74 -6.945 4.406 -6.669 628 HA ASP 74 HA ASP 74 -9.266 5.623 -7.515 629 1HB ASP 74 HB2 ASP 74 -7.540 4.317 -8.895 630 2HB ASP 74 HB1 ASP 74 -8.445 2.872 -8.460 631 H TYR 75 HN TYR 75 -8.997 2.236 -6.354 632 HA TYR 75 HA TYR 75 -11.764 1.732 -6.380 633 1HB TYR 75 HB2 TYR 75 -9.459 0.476 -4.897 634 2HB TYR 75 HB1 TYR 75 -11.114 -0.105 -4.715 635 HD1 TYR 75 HD1 TYR 75 -12.184 0.122 -7.403 636 HD2 TYR 75 HD2 TYR 75 -8.329 -1.159 -6.157 637 HE1 TYR 75 HE1 TYR 75 -11.972 -1.199 -9.462 638 HE2 TYR 75 HE2 TYR 75 -8.101 -2.485 -8.215 639 HH TYR 75 HH TYR 75 -10.192 -2.143 -10.866 640 H LYS 76 HN LYS 76 -9.671 3.274 -4.074 641 HA LYS 76 HA LYS 76 -11.537 3.381 -1.921 642 1HB LYS 76 HB2 LYS 76 -9.342 3.740 -1.225 643 2HB LYS 76 HB1 LYS 76 -8.953 4.720 -2.621 644 1HG LYS 76 HG2 LYS 76 -10.921 6.102 -1.115 645 2HG LYS 76 HG1 LYS 76 -9.656 5.552 -0.014 646 1HD LYS 76 HD2 LYS 76 -8.286 6.481 -2.249 647 2HD LYS 76 HD1 LYS 76 -9.582 7.653 -2.000 648 1HE LYS 76 HE2 LYS 76 -7.656 6.724 0.131 649 2HE LYS 76 HE1 LYS 76 -7.495 8.219 -0.794 650 1HZ LYS 76 HZ1 LYS 76 -9.668 8.914 0.082 651 2HZ LYS 76 HZ2 LYS 76 -8.525 8.685 1.306 652 3HZ LYS 76 HZ3 LYS 76 -9.721 7.520 1.041 653 H GLU 77 HN GLU 77 -10.822 5.264 -4.735 654 HA GLU 77 HA GLU 77 -12.416 7.536 -4.086 655 1HB GLU 77 HB2 GLU 77 -11.074 6.543 -6.593 656 2HB GLU 77 HB1 GLU 77 -12.036 8.003 -6.572 657 1HG GLU 77 HG2 GLU 77 -10.472 8.679 -4.604 658 2HG GLU 77 HG1 GLU 77 -9.414 7.447 -5.282 659 H ARG 78 HN ARG 78 -12.912 4.458 -5.603 660 HA ARG 78 HA ARG 78 -15.493 5.229 -6.713 661 1HB ARG 78 HB2 ARG 78 -13.797 2.750 -6.865 662 2HB ARG 78 HB1 ARG 78 -15.464 2.751 -7.415 663 1HG ARG 78 HG2 ARG 78 -14.916 4.575 -8.981 664 2HG ARG 78 HG1 ARG 78 -13.234 4.481 -8.459 665 1HD ARG 78 HD2 ARG 78 -13.520 3.249 -10.519 666 2HD ARG 78 HD1 ARG 78 -13.163 2.132 -9.202 667 HE ARG 78 HE ARG 78 -15.831 2.074 -9.238 668 1HH1 ARG 78 HH11 ARG 78 -13.500 1.843 -11.819 669 2HH1 ARG 78 HH12 ARG 78 -14.509 0.846 -12.813 670 1HH2 ARG 78 HH21 ARG 78 -17.164 0.765 -10.539 671 2HH2 ARG 78 HH22 ARG 78 -16.594 0.237 -12.087 672 H ASP 79 HN ASP 79 -14.662 4.781 -3.739 673 HA ASP 79 HA ASP 79 -15.641 4.036 -1.824 674 1HB ASP 79 HB2 ASP 79 -17.569 5.282 -2.875 675 2HB ASP 79 HB1 ASP 79 -18.143 3.739 -3.499 676 H LEU 80 HN LEU 80 -14.456 2.131 -3.752 677 HA LEU 80 HA LEU 80 -16.007 -0.285 -3.498 678 1HB LEU 80 HB2 LEU 80 -13.771 0.619 -5.067 679 2HB LEU 80 HB1 LEU 80 -13.386 -0.916 -4.323 680 HG LEU 80 HG LEU 80 -15.815 -1.524 -5.263 681 1HD1 LEU 80 HD11 LEU 80 -16.187 -0.502 -7.423 682 2HD1 LEU 80 HD12 LEU 80 -14.753 0.506 -7.219 683 3HD1 LEU 80 HD13 LEU 80 -16.155 0.743 -6.173 684 1HD2 LEU 80 HD21 LEU 80 -13.630 -2.636 -5.719 685 2HD2 LEU 80 HD22 LEU 80 -13.382 -1.472 -7.018 686 3HD2 LEU 80 HD23 LEU 80 -14.731 -2.602 -7.097 687 H ILE 81 HN ILE 81 -13.719 1.396 -1.650 688 HA ILE 81 HA ILE 81 -12.983 -0.987 -0.091 689 HB ILE 81 HB ILE 81 -11.893 1.833 -0.031 690 1HG1 ILE 81 HG12 ILE 81 -10.606 -0.771 -0.882 691 2HG1 ILE 81 HG11 ILE 81 -11.248 0.438 -1.987 692 1HG2 ILE 81 HG21 ILE 81 -10.917 -0.560 1.527 693 2HG2 ILE 81 HG22 ILE 81 -11.922 0.720 2.209 694 3HG2 ILE 81 HG23 ILE 81 -10.303 1.090 1.611 695 1HD1 ILE 81 HD11 ILE 81 -9.033 0.959 -0.024 696 2HD1 ILE 81 HD12 ILE 81 -9.595 2.020 -1.316 697 3HD1 ILE 81 HD13 ILE 81 -8.788 0.504 -1.709 698 H ASP 82 HN ASP 82 -13.750 -1.306 1.928 699 HA ASP 82 HA ASP 82 -16.052 -0.020 2.815 700 1HB ASP 82 HB2 ASP 82 -14.952 -2.295 3.527 701 2HB ASP 82 HB1 ASP 82 -14.183 -1.307 4.769 702 H ARG 83 HN ARG 83 -16.432 1.785 3.932 703 HA ARG 83 HA ARG 83 -14.445 3.704 4.359 704 1HB ARG 83 HB2 ARG 83 -17.260 3.430 5.386 705 2HB ARG 83 HB1 ARG 83 -16.242 4.789 5.847 706 1HG ARG 83 HG2 ARG 83 -16.882 4.052 2.999 707 2HG ARG 83 HG1 ARG 83 -17.767 5.253 3.941 708 1HD ARG 83 HD2 ARG 83 -15.861 6.654 4.114 709 2HD ARG 83 HD1 ARG 83 -14.792 5.390 3.509 710 HE ARG 83 HE ARG 83 -15.377 5.958 1.365 711 1HH1 ARG 83 HH11 ARG 83 -17.606 7.444 3.598 712 2HH1 ARG 83 HH12 ARG 83 -18.349 8.439 2.390 713 1HH2 ARG 83 HH21 ARG 83 -16.354 7.265 -0.227 714 2HH2 ARG 83 HH22 ARG 83 -17.642 8.334 0.217 715 H SER 84 HN SER 84 -15.182 0.934 6.114 716 HA SER 84 HA SER 84 -14.573 1.771 8.743 717 1HB SER 84 HB2 SER 84 -15.705 -0.382 8.159 718 2HB SER 84 HB1 SER 84 -14.165 -0.980 7.543 719 HG SER 84 HG SER 84 -13.827 -1.568 9.526 720 H ALA 85 HN ALA 85 -12.622 0.663 6.036 721 HA ALA 85 HA ALA 85 -10.172 0.354 7.399 722 1HB ALA 85 HB1 ALA 85 -9.158 0.700 5.117 723 2HB ALA 85 HB2 ALA 85 -10.792 0.979 4.512 724 3HB ALA 85 HB3 ALA 85 -10.364 -0.576 5.218 725 H TYR 86 HN TYR 86 -11.652 3.063 5.714 726 HA TYR 86 HA TYR 86 -9.707 4.961 5.677 727 1HB TYR 86 HB2 TYR 86 -12.627 5.272 6.363 728 2HB TYR 86 HB1 TYR 86 -11.557 6.648 6.158 729 HD1 TYR 86 HD1 TYR 86 -12.145 3.479 4.283 730 HD2 TYR 86 HD2 TYR 86 -11.875 7.714 4.145 731 HE1 TYR 86 HE1 TYR 86 -12.569 3.414 1.863 732 HE2 TYR 86 HE2 TYR 86 -12.298 7.670 1.723 733 HH TYR 86 HH TYR 86 -12.154 6.167 -0.143 Start of MODEL 2 1 1H SER 1 HT1 SER 1 1.182 -13.143 -0.086 2 2H SER 1 HT2 SER 1 1.428 -12.118 -1.409 3 3H SER 1 HT3 SER 1 2.754 -12.783 -0.596 4 HA SER 1 HA SER 1 2.135 -14.991 -1.290 5 1HB SER 1 HB2 SER 1 0.313 -15.276 -2.936 6 2HB SER 1 HB1 SER 1 -0.289 -14.641 -1.406 7 HG SER 1 HG SER 1 0.381 -12.583 -2.935 8 H ASN 2 HN ASN 2 1.760 -12.124 -3.367 9 HA ASN 2 HA ASN 2 4.254 -12.614 -4.670 10 1HB ASN 2 HB2 ASN 2 3.377 -12.983 -6.931 11 2HB ASN 2 HB1 ASN 2 2.884 -14.277 -5.844 12 1HD2 ASN 2 HD21 ASN 2 0.728 -14.413 -5.194 13 2HD2 ASN 2 HD22 ASN 2 -0.535 -13.603 -6.051 14 H SER 3 HN SER 3 5.049 -10.767 -5.520 15 HA SER 3 HA SER 3 3.609 -8.339 -5.093 16 1HB SER 3 HB2 SER 3 6.004 -8.346 -4.767 17 2HB SER 3 HB1 SER 3 6.272 -8.881 -6.426 18 HG SER 3 HG SER 3 5.528 -6.903 -7.156 19 H SER 4 HN SER 4 1.764 -8.589 -6.431 20 HA SER 4 HA SER 4 2.294 -7.888 -9.227 21 1HB SER 4 HB2 SER 4 1.774 -10.292 -9.185 22 2HB SER 4 HB1 SER 4 0.267 -9.950 -8.338 23 HG SER 4 HG SER 4 0.615 -10.038 -10.914 24 H MET 5 HN MET 5 1.136 -6.834 -6.482 25 HA MET 5 HA MET 5 -0.365 -5.274 -5.812 26 1HB MET 5 HB2 MET 5 -0.073 -4.709 -8.726 27 2HB MET 5 HB1 MET 5 -1.329 -3.869 -7.826 28 1HG MET 5 HG2 MET 5 0.716 -2.556 -7.944 29 2HG MET 5 HG1 MET 5 0.325 -2.997 -6.281 30 1HE MET 5 HE1 MET 5 4.147 -3.077 -5.973 31 2HE MET 5 HE2 MET 5 2.616 -2.401 -5.416 32 3HE MET 5 HE3 MET 5 3.265 -1.934 -6.987 33 H ASN 6 HN ASN 6 -1.663 -7.244 -5.294 34 HA ASN 6 HA ASN 6 -3.854 -7.991 -6.958 35 1HB ASN 6 HB2 ASN 6 -2.784 -9.452 -5.225 36 2HB ASN 6 HB1 ASN 6 -3.514 -8.436 -3.983 37 1HD2 ASN 6 HD21 ASN 6 -4.170 -10.650 -6.617 38 2HD2 ASN 6 HD22 ASN 6 -5.749 -11.108 -6.087 39 HA PRO 7 HA PRO 7 -6.150 -4.249 -5.781 40 1HB PRO 7 HB2 PRO 7 -8.281 -4.725 -7.429 41 2HB PRO 7 HB1 PRO 7 -6.785 -3.937 -7.937 42 1HG PRO 7 HG2 PRO 7 -7.681 -6.743 -8.346 43 2HG PRO 7 HG1 PRO 7 -6.771 -5.685 -9.432 44 1HD PRO 7 HD2 PRO 7 -5.624 -7.667 -7.963 45 2HD PRO 7 HD1 PRO 7 -4.769 -6.195 -8.451 46 H LYS 8 HN LYS 8 -6.987 -7.552 -5.351 47 HA LYS 8 HA LYS 8 -9.528 -6.996 -4.114 48 1HB LYS 8 HB2 LYS 8 -7.857 -9.514 -3.973 49 2HB LYS 8 HB1 LYS 8 -9.523 -9.356 -3.443 50 1HG LYS 8 HG2 LYS 8 -9.978 -10.199 -5.466 51 2HG LYS 8 HG1 LYS 8 -9.752 -8.532 -5.998 52 1HD LYS 8 HD2 LYS 8 -7.190 -9.504 -5.986 53 2HD LYS 8 HD1 LYS 8 -8.125 -10.905 -6.511 54 1HE LYS 8 HE2 LYS 8 -9.185 -9.502 -8.243 55 2HE LYS 8 HE1 LYS 8 -8.160 -8.157 -7.740 56 1HZ LYS 8 HZ1 LYS 8 -6.215 -9.511 -8.308 57 2HZ LYS 8 HZ2 LYS 8 -7.212 -9.245 -9.649 58 3HZ LYS 8 HZ3 LYS 8 -7.233 -10.744 -8.865 59 H SER 9 HN SER 9 -6.272 -7.829 -3.040 60 HA SER 9 HA SER 9 -6.911 -7.586 -0.257 61 1HB SER 9 HB2 SER 9 -4.300 -7.877 -1.748 62 2HB SER 9 HB1 SER 9 -4.396 -7.774 0.008 63 HG SER 9 HG SER 9 -5.953 -9.605 -0.247 64 H LEU 10 HN LEU 10 -5.311 -5.563 -2.669 65 HA LEU 10 HA LEU 10 -4.427 -3.545 -0.924 66 1HB LEU 10 HB2 LEU 10 -5.231 -3.284 -3.817 67 2HB LEU 10 HB1 LEU 10 -4.258 -2.148 -2.915 68 HG LEU 10 HG LEU 10 -3.410 -4.996 -3.392 69 1HD1 LEU 10 HD11 LEU 10 -3.755 -3.640 -5.502 70 2HD1 LEU 10 HD12 LEU 10 -2.143 -4.304 -5.245 71 3HD1 LEU 10 HD13 LEU 10 -2.452 -2.598 -4.925 72 1HD2 LEU 10 HD21 LEU 10 -2.360 -2.735 -1.919 73 2HD2 LEU 10 HD22 LEU 10 -1.208 -3.363 -3.093 74 3HD2 LEU 10 HD23 LEU 10 -1.889 -4.433 -1.868 75 H THR 11 HN THR 11 -7.560 -4.450 -1.650 76 HA THR 11 HA THR 11 -8.518 -1.780 -0.847 77 HB THR 11 HB THR 11 -10.321 -1.827 -2.363 78 HG1 THR 11 HG1 THR 11 -11.219 -3.689 -2.793 79 1HG2 THR 11 HG21 THR 11 -8.089 -1.368 -3.418 80 2HG2 THR 11 HG22 THR 11 -9.291 -2.009 -4.537 81 3HG2 THR 11 HG23 THR 11 -8.032 -3.061 -3.899 82 H ASP 12 HN ASP 12 -8.006 -4.494 0.482 83 HA ASP 12 HA ASP 12 -10.702 -4.885 1.592 84 1HB ASP 12 HB2 ASP 12 -9.456 -6.866 0.510 85 2HB ASP 12 HB1 ASP 12 -8.397 -6.804 1.915 86 HA PRO 13 HA PRO 13 -9.070 -2.389 4.942 87 1HB PRO 13 HB2 PRO 13 -11.298 -3.901 6.276 88 2HB PRO 13 HB1 PRO 13 -10.847 -2.197 6.437 89 1HG PRO 13 HG2 PRO 13 -12.866 -2.858 4.878 90 2HG PRO 13 HG1 PRO 13 -11.689 -1.635 4.336 91 1HD PRO 13 HD2 PRO 13 -12.006 -4.488 3.486 92 2HD PRO 13 HD1 PRO 13 -11.499 -3.078 2.538 93 H LYS 14 HN LYS 14 -9.408 -5.864 4.934 94 HA LYS 14 HA LYS 14 -8.341 -6.428 7.475 95 1HB LYS 14 HB2 LYS 14 -9.323 -7.995 5.561 96 2HB LYS 14 HB1 LYS 14 -7.621 -8.180 5.170 97 1HG LYS 14 HG2 LYS 14 -8.908 -8.787 7.825 98 2HG LYS 14 HG1 LYS 14 -8.383 -9.967 6.625 99 1HD LYS 14 HD2 LYS 14 -6.584 -8.020 8.075 100 2HD LYS 14 HD1 LYS 14 -6.766 -9.733 8.465 101 1HE LYS 14 HE2 LYS 14 -5.753 -8.605 5.860 102 2HE LYS 14 HE1 LYS 14 -4.759 -9.323 7.127 103 1HZ LYS 14 HZ1 LYS 14 -6.887 -10.746 5.620 104 2HZ LYS 14 HZ2 LYS 14 -5.865 -11.425 6.784 105 3HZ LYS 14 HZ3 LYS 14 -5.227 -10.878 5.317 106 H LEU 15 HN LEU 15 -6.749 -6.155 4.319 107 HA LEU 15 HA LEU 15 -4.106 -6.272 5.398 108 1HB LEU 15 HB2 LEU 15 -5.180 -5.454 2.704 109 2HB LEU 15 HB1 LEU 15 -3.483 -5.510 3.072 110 HG LEU 15 HG LEU 15 -4.067 -7.487 1.860 111 1HD1 LEU 15 HD11 LEU 15 -3.865 -9.038 4.178 112 2HD1 LEU 15 HD12 LEU 15 -3.061 -7.507 4.544 113 3HD1 LEU 15 HD13 LEU 15 -2.550 -8.463 3.150 114 1HD2 LEU 15 HD21 LEU 15 -5.740 -9.054 2.584 115 2HD2 LEU 15 HD22 LEU 15 -6.480 -7.461 2.423 116 3HD2 LEU 15 HD23 LEU 15 -6.081 -8.091 4.022 117 H LEU 16 HN LEU 16 -6.165 -3.740 4.073 118 HA LEU 16 HA LEU 16 -4.443 -1.601 4.142 119 1HB LEU 16 HB2 LEU 16 -7.352 -1.393 4.884 120 2HB LEU 16 HB1 LEU 16 -6.366 -0.227 4.026 121 HG LEU 16 HG LEU 16 -7.061 -2.927 2.898 122 1HD1 LEU 16 HD11 LEU 16 -8.910 -2.085 1.839 123 2HD1 LEU 16 HD12 LEU 16 -8.371 -0.417 1.986 124 3HD1 LEU 16 HD13 LEU 16 -9.002 -1.262 3.396 125 1HD2 LEU 16 HD21 LEU 16 -5.046 -1.462 2.113 126 2HD2 LEU 16 HD22 LEU 16 -6.301 -0.522 1.303 127 3HD2 LEU 16 HD23 LEU 16 -6.103 -2.234 0.934 128 H LYS 17 HN LYS 17 -6.604 -2.683 6.777 129 HA LYS 17 HA LYS 17 -5.711 -0.732 8.631 130 1HB LYS 17 HB2 LYS 17 -7.012 -3.422 9.098 131 2HB LYS 17 HB1 LYS 17 -6.752 -2.214 10.344 132 1HG LYS 17 HG2 LYS 17 -8.280 -0.717 9.322 133 2HG LYS 17 HG1 LYS 17 -8.381 -1.718 7.870 134 1HD LYS 17 HD2 LYS 17 -9.389 -3.520 9.179 135 2HD LYS 17 HD1 LYS 17 -9.289 -2.524 10.632 136 1HE LYS 17 HE2 LYS 17 -10.790 -0.903 9.659 137 2HE LYS 17 HE1 LYS 17 -10.843 -1.811 8.152 138 1HZ LYS 17 HZ1 LYS 17 -12.784 -2.339 9.382 139 2HZ LYS 17 HZ2 LYS 17 -11.903 -2.650 10.791 140 3HZ LYS 17 HZ3 LYS 17 -11.773 -3.693 9.466 141 H ASN 18 HN ASN 18 -4.534 -3.805 7.595 142 HA ASN 18 HA ASN 18 -2.431 -3.761 9.658 143 1HB ASN 18 HB2 ASN 18 -4.102 -5.818 9.213 144 2HB ASN 18 HB1 ASN 18 -2.911 -6.179 7.976 145 1HD2 ASN 18 HD21 ASN 18 -2.511 -8.111 9.181 146 2HD2 ASN 18 HD22 ASN 18 -1.455 -8.071 10.546 147 H ILE 19 HN ILE 19 -1.627 -2.029 8.077 148 HA ILE 19 HA ILE 19 -0.855 -2.334 5.524 149 HB ILE 19 HB ILE 19 0.643 -1.007 7.764 150 1HG1 ILE 19 HG12 ILE 19 -1.499 -0.014 7.025 151 2HG1 ILE 19 HG11 ILE 19 -0.135 1.035 6.686 152 1HG2 ILE 19 HG21 ILE 19 1.366 -0.631 4.874 153 2HG2 ILE 19 HG22 ILE 19 2.168 -1.832 5.879 154 3HG2 ILE 19 HG23 ILE 19 2.253 -0.127 6.311 155 1HD1 ILE 19 HD11 ILE 19 -1.389 1.192 4.764 156 2HD1 ILE 19 HD12 ILE 19 -1.825 -0.515 4.769 157 3HD1 ILE 19 HD13 ILE 19 -0.189 -0.021 4.332 158 HA PRO 20 HA PRO 20 3.303 -4.687 6.978 159 1HB PRO 20 HB2 PRO 20 1.744 -6.260 9.002 160 2HB PRO 20 HB1 PRO 20 3.473 -5.866 8.979 161 1HG PRO 20 HG2 PRO 20 1.834 -4.513 10.554 162 2HG PRO 20 HG1 PRO 20 3.114 -3.669 9.666 163 1HD PRO 20 HD2 PRO 20 0.180 -3.729 9.161 164 2HD PRO 20 HD1 PRO 20 1.351 -2.428 8.869 165 H MET 21 HN MET 21 0.099 -6.079 7.417 166 HA MET 21 HA MET 21 0.574 -8.481 5.980 167 1HB MET 21 HB2 MET 21 -1.234 -7.754 7.763 168 2HB MET 21 HB1 MET 21 -2.154 -7.309 6.333 169 1HG MET 21 HG2 MET 21 -2.910 -9.412 6.591 170 2HG MET 21 HG1 MET 21 -1.494 -9.769 5.603 171 1HE MET 21 HE1 MET 21 1.058 -11.123 8.223 172 2HE MET 21 HE2 MET 21 0.936 -9.460 7.650 173 3HE MET 21 HE3 MET 21 0.736 -10.800 6.521 174 H TRP 22 HN TRP 22 -0.968 -5.398 5.212 175 HA TRP 22 HA TRP 22 -1.889 -5.821 2.669 176 1HB TRP 22 HB2 TRP 22 -2.202 -3.784 4.023 177 2HB TRP 22 HB1 TRP 22 -0.524 -3.351 3.773 178 HD1 TRP 22 HD1 TRP 22 -3.822 -3.689 1.806 179 HE1 TRP 22 HE1 TRP 22 -3.694 -2.125 -0.233 180 HE3 TRP 22 HE3 TRP 22 1.027 -2.126 2.294 181 HZ2 TRP 22 HZ2 TRP 22 -1.795 -0.459 -1.478 182 HZ3 TRP 22 HZ3 TRP 22 1.923 -0.551 0.619 183 HH2 TRP 22 HH2 TRP 22 0.540 0.269 -1.218 184 H LEU 23 HN LEU 23 1.368 -5.150 3.763 185 HA LEU 23 HA LEU 23 2.545 -4.922 1.182 186 1HB LEU 23 HB2 LEU 23 3.661 -5.390 3.940 187 2HB LEU 23 HB1 LEU 23 4.666 -5.227 2.519 188 HG LEU 23 HG LEU 23 2.733 -3.101 3.406 189 1HD1 LEU 23 HD11 LEU 23 4.995 -1.992 4.079 190 2HD1 LEU 23 HD12 LEU 23 5.543 -3.663 4.246 191 3HD1 LEU 23 HD13 LEU 23 4.169 -3.081 5.188 192 1HD2 LEU 23 HD21 LEU 23 3.959 -1.678 1.918 193 2HD2 LEU 23 HD22 LEU 23 3.462 -3.123 1.034 194 3HD2 LEU 23 HD23 LEU 23 5.128 -2.957 1.587 195 H LYS 24 HN LYS 24 1.836 -7.563 3.353 196 HA LYS 24 HA LYS 24 3.594 -9.499 2.432 197 1HB LYS 24 HB2 LYS 24 1.404 -9.376 4.180 198 2HB LYS 24 HB1 LYS 24 0.984 -10.606 3.007 199 1HG LYS 24 HG2 LYS 24 3.632 -10.614 4.399 200 2HG LYS 24 HG1 LYS 24 2.192 -11.311 5.144 201 1HD LYS 24 HD2 LYS 24 3.069 -13.141 4.090 202 2HD LYS 24 HD1 LYS 24 1.972 -12.544 2.847 203 1HE LYS 24 HE2 LYS 24 3.926 -11.283 1.889 204 2HE LYS 24 HE1 LYS 24 4.955 -12.174 3.010 205 1HZ LYS 24 HZ1 LYS 24 4.259 -14.234 2.002 206 2HZ LYS 24 HZ2 LYS 24 4.867 -13.204 0.807 207 3HZ LYS 24 HZ3 LYS 24 3.197 -13.420 0.966 208 H SER 25 HN SER 25 0.446 -8.472 1.192 209 HA SER 25 HA SER 25 0.351 -10.460 -0.866 210 1HB SER 25 HB2 SER 25 -1.209 -7.876 -0.553 211 2HB SER 25 HB1 SER 25 -1.560 -9.139 -1.732 212 HG SER 25 HG SER 25 -2.072 -9.053 0.974 213 H LEU 26 HN LEU 26 2.148 -7.699 -0.429 214 HA LEU 26 HA LEU 26 2.539 -7.305 -3.322 215 1HB LEU 26 HB2 LEU 26 3.250 -5.418 -1.077 216 2HB LEU 26 HB1 LEU 26 3.369 -5.091 -2.795 217 HG LEU 26 HG LEU 26 0.777 -5.617 -1.351 218 1HD1 LEU 26 HD11 LEU 26 0.390 -3.208 -1.559 219 2HD1 LEU 26 HD12 LEU 26 2.016 -3.006 -2.209 220 3HD1 LEU 26 HD13 LEU 26 1.793 -3.557 -0.548 221 1HD2 LEU 26 HD21 LEU 26 0.273 -4.209 -3.660 222 2HD2 LEU 26 HD22 LEU 26 0.042 -5.941 -3.432 223 3HD2 LEU 26 HD23 LEU 26 1.538 -5.337 -4.147 224 H ARG 27 HN ARG 27 3.806 -8.883 -0.789 225 HA ARG 27 HA ARG 27 5.785 -9.904 -0.375 226 1HB ARG 27 HB2 ARG 27 6.248 -8.952 -3.174 227 2HB ARG 27 HB1 ARG 27 7.573 -9.660 -2.263 228 1HG ARG 27 HG2 ARG 27 4.936 -10.994 -2.837 229 2HG ARG 27 HG1 ARG 27 6.456 -11.303 -3.680 230 1HD ARG 27 HD2 ARG 27 7.407 -11.842 -1.363 231 2HD ARG 27 HD1 ARG 27 5.726 -11.919 -0.835 232 HE ARG 27 HE ARG 27 5.878 -13.539 -3.052 233 1HH1 ARG 27 HH11 ARG 27 7.399 -13.399 0.078 234 2HH1 ARG 27 HH12 ARG 27 7.633 -15.112 0.184 235 1HH2 ARG 27 HH21 ARG 27 6.177 -15.793 -2.922 236 2HH2 ARG 27 HH22 ARG 27 6.936 -16.474 -1.521 237 H LEU 28 HN LEU 28 5.312 -6.793 -0.117 238 HA LEU 28 HA LEU 28 8.133 -6.085 0.389 239 1HB LEU 28 HB2 LEU 28 5.661 -4.360 0.129 240 2HB LEU 28 HB1 LEU 28 7.226 -3.748 0.614 241 HG LEU 28 HG LEU 28 7.527 -5.195 -1.835 242 1HD1 LEU 28 HD11 LEU 28 6.158 -3.636 -3.245 243 2HD1 LEU 28 HD12 LEU 28 5.318 -3.156 -1.770 244 3HD1 LEU 28 HD13 LEU 28 5.233 -4.825 -2.330 245 1HD2 LEU 28 HD21 LEU 28 8.210 -2.875 -2.595 246 2HD2 LEU 28 HD22 LEU 28 9.089 -3.538 -1.218 247 3HD2 LEU 28 HD23 LEU 28 7.826 -2.337 -0.961 248 H HIS 29 HN HIS 29 6.310 -7.786 2.124 249 HA HIS 29 HA HIS 29 5.664 -6.334 4.445 250 1HB HIS 29 HB2 HIS 29 5.939 -8.530 5.642 251 2HB HIS 29 HB1 HIS 29 4.845 -8.589 4.260 252 HD1 HIS 29 HD1 HIS 29 5.819 -9.732 2.062 253 HD2 HIS 29 HD2 HIS 29 8.082 -10.245 5.508 254 HE1 HIS 29 HE1 HIS 29 7.395 -11.622 1.554 255 HE2 HIS 29 HE2 HIS 29 8.708 -11.963 3.678 256 H LYS 30 HN LYS 30 8.503 -7.039 2.932 257 HA LYS 30 HA LYS 30 10.440 -7.261 4.901 258 1HB LYS 30 HB2 LYS 30 11.730 -5.823 3.019 259 2HB LYS 30 HB1 LYS 30 11.378 -7.529 2.829 260 1HG LYS 30 HG2 LYS 30 9.593 -7.109 1.388 261 2HG LYS 30 HG1 LYS 30 9.531 -5.401 1.832 262 1HD LYS 30 HD2 LYS 30 11.466 -4.912 0.626 263 2HD LYS 30 HD1 LYS 30 11.955 -6.603 0.532 264 1HE LYS 30 HE2 LYS 30 9.643 -6.792 -0.735 265 2HE LYS 30 HE1 LYS 30 9.957 -5.092 -1.062 266 1HZ LYS 30 HZ1 LYS 30 10.830 -6.479 -2.823 267 2HZ LYS 30 HZ2 LYS 30 11.771 -7.350 -1.719 268 3HZ LYS 30 HZ3 LYS 30 12.102 -5.716 -2.007 269 H TYR 31 HN TYR 31 8.721 -4.544 3.601 270 HA TYR 31 HA TYR 31 10.024 -2.699 5.469 271 1HB TYR 31 HB2 TYR 31 8.403 -2.155 2.980 272 2HB TYR 31 HB1 TYR 31 9.149 -0.930 4.003 273 HD1 TYR 31 HD1 TYR 31 9.504 -2.370 0.994 274 HD2 TYR 31 HD2 TYR 31 11.794 -1.780 4.527 275 HE1 TYR 31 HE1 TYR 31 11.579 -2.612 -0.312 276 HE2 TYR 31 HE2 TYR 31 13.872 -2.008 3.232 277 HH TYR 31 HH TYR 31 13.935 -1.958 -0.166 278 H SER 32 HN SER 32 7.915 -4.655 6.123 279 HA SER 32 HA SER 32 5.428 -3.386 6.425 280 1HB SER 32 HB2 SER 32 6.754 -5.731 7.712 281 2HB SER 32 HB1 SER 32 5.259 -5.109 8.408 282 HG SER 32 HG SER 32 4.938 -5.286 5.781 283 H ASP 33 HN ASP 33 8.205 -3.658 8.581 284 HA ASP 33 HA ASP 33 7.084 -2.289 10.766 285 1HB ASP 33 HB2 ASP 33 9.185 -3.651 10.809 286 2HB ASP 33 HB1 ASP 33 10.000 -2.333 9.975 287 H ALA 34 HN ALA 34 9.188 -1.091 8.163 288 HA ALA 34 HA ALA 34 9.221 1.607 8.975 289 1HB ALA 34 HB1 ALA 34 10.315 2.065 6.968 290 2HB ALA 34 HB2 ALA 34 9.564 0.698 6.151 291 3HB ALA 34 HB3 ALA 34 10.797 0.421 7.382 292 H LEU 35 HN LEU 35 6.911 -0.205 7.118 293 HA LEU 35 HA LEU 35 5.586 2.283 6.334 294 1HB LEU 35 HB2 LEU 35 5.335 -0.553 5.372 295 2HB LEU 35 HB1 LEU 35 4.225 0.713 4.887 296 HG LEU 35 HG LEU 35 5.848 1.835 3.623 297 1HD1 LEU 35 HD11 LEU 35 7.806 0.421 5.364 298 2HD1 LEU 35 HD12 LEU 35 7.797 2.096 4.825 299 3HD1 LEU 35 HD13 LEU 35 8.292 0.817 3.727 300 1HD2 LEU 35 HD21 LEU 35 5.124 -0.371 2.705 301 2HD2 LEU 35 HD22 LEU 35 6.614 -1.064 3.364 302 3HD2 LEU 35 HD23 LEU 35 6.693 0.182 2.110 303 H SER 36 HN SER 36 5.342 -0.165 8.671 304 HA SER 36 HA SER 36 2.546 -0.430 8.895 305 1HB SER 36 HB2 SER 36 3.990 -2.007 10.034 306 2HB SER 36 HB1 SER 36 4.706 -0.718 11.002 307 HG SER 36 HG SER 36 1.959 -0.906 11.153 308 H GLY 37 HN GLY 37 4.840 1.762 10.491 309 1HA GLY 37 HA2 GLY 37 3.080 3.068 12.203 310 2HA GLY 37 HA1 GLY 37 4.522 3.796 11.509 311 H THR 38 HN THR 38 3.106 3.062 8.820 312 HA THR 38 HA THR 38 1.455 5.492 8.738 313 HB THR 38 HB THR 38 2.989 4.240 6.442 314 HG1 THR 38 HG1 THR 38 3.655 6.170 8.354 315 1HG2 THR 38 HG21 THR 38 0.809 5.776 6.222 316 2HG2 THR 38 HG22 THR 38 2.161 5.875 5.091 317 3HG2 THR 38 HG23 THR 38 2.022 7.044 6.405 318 HA PRO 39 HA PRO 39 -1.910 2.632 7.831 319 1HB PRO 39 HB2 PRO 39 -3.752 4.493 7.146 320 2HB PRO 39 HB1 PRO 39 -3.286 4.201 8.825 321 1HG PRO 39 HG2 PRO 39 -2.235 6.266 6.924 322 2HG PRO 39 HG1 PRO 39 -2.852 6.507 8.568 323 1HD PRO 39 HD2 PRO 39 -0.241 6.366 8.157 324 2HD PRO 39 HD1 PRO 39 -0.960 5.506 9.538 325 H TRP 40 HN TRP 40 -3.612 2.531 5.931 326 HA TRP 40 HA TRP 40 -2.101 2.424 3.519 327 1HB TRP 40 HB2 TRP 40 -4.145 1.646 2.438 328 2HB TRP 40 HB1 TRP 40 -3.873 0.784 3.941 329 HD1 TRP 40 HD1 TRP 40 -5.533 1.470 6.033 330 HE1 TRP 40 HE1 TRP 40 -7.978 2.281 5.979 331 HE3 TRP 40 HE3 TRP 40 -5.800 3.009 1.149 332 HZ2 TRP 40 HZ2 TRP 40 -9.761 3.439 4.149 333 HZ3 TRP 40 HZ3 TRP 40 -7.921 3.975 0.341 334 HH2 TRP 40 HH2 TRP 40 -9.856 4.175 1.811 335 H ILE 41 HN ILE 41 -4.839 4.427 4.602 336 HA ILE 41 HA ILE 41 -5.189 5.963 2.344 337 HB ILE 41 HB ILE 41 -6.483 6.015 4.586 338 1HG1 ILE 41 HG12 ILE 41 -7.145 8.458 4.091 339 2HG1 ILE 41 HG11 ILE 41 -5.939 8.387 2.807 340 1HG2 ILE 41 HG21 ILE 41 -4.686 8.367 5.119 341 2HG2 ILE 41 HG22 ILE 41 -4.416 6.786 5.850 342 3HG2 ILE 41 HG23 ILE 41 -5.912 7.665 6.174 343 1HD1 ILE 41 HD11 ILE 41 -8.198 7.947 1.989 344 2HD1 ILE 41 HD12 ILE 41 -8.311 6.552 3.064 345 3HD1 ILE 41 HD13 ILE 41 -7.129 6.564 1.755 346 H GLU 42 HN GLU 42 -2.542 5.979 4.558 347 HA GLU 42 HA GLU 42 -1.553 8.509 3.450 348 1HB GLU 42 HB2 GLU 42 -0.733 6.895 5.860 349 2HB GLU 42 HB1 GLU 42 0.241 8.220 5.241 350 1HG GLU 42 HG2 GLU 42 -1.760 9.700 5.511 351 2HG GLU 42 HG1 GLU 42 -2.554 8.361 6.338 352 H LEU 43 HN LEU 43 -0.844 5.102 3.761 353 HA LEU 43 HA LEU 43 1.712 4.992 2.648 354 1HB LEU 43 HB2 LEU 43 -0.330 3.183 3.374 355 2HB LEU 43 HB1 LEU 43 0.112 2.796 1.727 356 HG LEU 43 HG LEU 43 1.379 1.416 3.249 357 1HD1 LEU 43 HD11 LEU 43 3.694 2.095 2.603 358 2HD1 LEU 43 HD12 LEU 43 3.003 3.569 1.926 359 3HD1 LEU 43 HD13 LEU 43 2.551 1.999 1.263 360 1HD2 LEU 43 HD21 LEU 43 2.241 2.119 5.174 361 2HD2 LEU 43 HD22 LEU 43 1.323 3.603 4.909 362 3HD2 LEU 43 HD23 LEU 43 3.013 3.510 4.413 363 H ILE 44 HN ILE 44 -1.382 4.337 1.099 364 HA ILE 44 HA ILE 44 -0.563 4.293 -1.531 365 HB ILE 44 HB ILE 44 -2.886 4.566 -2.108 366 1HG1 ILE 44 HG12 ILE 44 -3.390 5.270 0.784 367 2HG1 ILE 44 HG11 ILE 44 -3.276 6.469 -0.483 368 1HG2 ILE 44 HG21 ILE 44 -3.847 2.858 -0.500 369 2HG2 ILE 44 HG22 ILE 44 -2.318 2.961 0.369 370 3HG2 ILE 44 HG23 ILE 44 -2.347 2.409 -1.308 371 1HD1 ILE 44 HD11 ILE 44 -5.571 5.454 0.347 372 2HD1 ILE 44 HD12 ILE 44 -5.181 4.249 -0.879 373 3HD1 ILE 44 HD13 ILE 44 -5.307 5.949 -1.321 374 H TYR 45 HN TYR 45 -0.609 6.916 0.565 375 HA TYR 45 HA TYR 45 -0.928 8.871 -1.598 376 1HB TYR 45 HB2 TYR 45 -1.183 8.989 1.367 377 2HB TYR 45 HB1 TYR 45 -0.695 10.454 0.524 378 HD1 TYR 45 HD1 TYR 45 -2.908 8.192 -1.274 379 HD2 TYR 45 HD2 TYR 45 -2.770 11.491 1.415 380 HE1 TYR 45 HE1 TYR 45 -5.270 8.686 -1.763 381 HE2 TYR 45 HE2 TYR 45 -5.127 11.991 0.929 382 HH TYR 45 HH TYR 45 -6.768 11.595 -0.833 383 H LEU 46 HN LEU 46 1.472 7.339 0.304 384 HA LEU 46 HA LEU 46 3.461 9.327 0.348 385 1HB LEU 46 HB2 LEU 46 3.943 6.365 0.084 386 2HB LEU 46 HB1 LEU 46 5.042 7.558 0.724 387 HG LEU 46 HG LEU 46 2.519 6.552 2.021 388 1HD1 LEU 46 HD11 LEU 46 4.167 5.898 3.790 389 2HD1 LEU 46 HD12 LEU 46 5.452 6.328 2.657 390 3HD1 LEU 46 HD13 LEU 46 4.328 5.024 2.267 391 1HD2 LEU 46 HD21 LEU 46 4.130 8.985 2.515 392 2HD2 LEU 46 HD22 LEU 46 3.662 8.036 3.926 393 3HD2 LEU 46 HD23 LEU 46 2.424 8.667 2.837 394 H ASP 47 HN ASP 47 5.670 8.236 -0.818 395 HA ASP 47 HA ASP 47 5.182 7.750 -3.626 396 1HB ASP 47 HB2 ASP 47 6.592 10.265 -2.701 397 2HB ASP 47 HB1 ASP 47 6.582 9.675 -4.359 398 H ASP 48 HN ASP 48 7.396 7.680 -4.777 399 HA ASP 48 HA ASP 48 8.985 5.682 -3.765 400 1HB ASP 48 HB2 ASP 48 9.156 6.307 -6.074 401 2HB ASP 48 HB1 ASP 48 9.656 7.941 -5.661 402 H GLU 49 HN GLU 49 9.642 9.168 -3.614 403 HA GLU 49 HA GLU 49 11.999 9.065 -2.145 404 1HB GLU 49 HB2 GLU 49 11.152 11.097 -3.243 405 2HB GLU 49 HB1 GLU 49 9.882 11.211 -2.034 406 1HG GLU 49 HG2 GLU 49 11.584 11.473 -0.286 407 2HG GLU 49 HG1 GLU 49 12.840 11.404 -1.521 408 H THR 50 HN THR 50 8.670 9.464 -0.869 409 HA THR 50 HA THR 50 9.392 9.593 1.833 410 HB THR 50 HB THR 50 6.829 8.472 0.691 411 HG1 THR 50 HG1 THR 50 6.169 10.736 1.303 412 1HG2 THR 50 HG21 THR 50 7.260 7.931 3.086 413 2HG2 THR 50 HG22 THR 50 5.855 8.975 2.840 414 3HG2 THR 50 HG23 THR 50 7.372 9.665 3.411 415 H LEU 51 HN LEU 51 8.383 6.812 -0.123 416 HA LEU 51 HA LEU 51 8.430 4.820 1.775 417 1HB LEU 51 HB2 LEU 51 9.127 4.855 -1.141 418 2HB LEU 51 HB1 LEU 51 9.221 3.370 -0.216 419 HG LEU 51 HG LEU 51 6.709 5.023 -0.397 420 1HD1 LEU 51 HD11 LEU 51 5.930 3.495 -2.092 421 2HD1 LEU 51 HD12 LEU 51 7.450 2.606 -2.033 422 3HD1 LEU 51 HD13 LEU 51 7.422 4.263 -2.634 423 1HD2 LEU 51 HD21 LEU 51 7.360 2.257 0.585 424 2HD2 LEU 51 HD22 LEU 51 5.717 2.777 0.222 425 3HD2 LEU 51 HD23 LEU 51 6.641 3.594 1.482 426 H GLU 52 HN GLU 52 11.105 6.216 -0.048 427 HA GLU 52 HA GLU 52 13.139 4.506 0.846 428 1HB GLU 52 HB2 GLU 52 13.177 6.343 -0.980 429 2HB GLU 52 HB1 GLU 52 13.555 7.445 0.344 430 1HG GLU 52 HG2 GLU 52 15.509 6.013 0.895 431 2HG GLU 52 HG1 GLU 52 15.169 5.067 -0.553 432 H LYS 53 HN LYS 53 11.858 7.535 2.051 433 HA LYS 53 HA LYS 53 13.578 7.932 4.211 434 1HB LYS 53 HB2 LYS 53 10.737 8.757 3.798 435 2HB LYS 53 HB1 LYS 53 11.704 9.335 5.138 436 1HG LYS 53 HG2 LYS 53 12.153 9.786 2.207 437 2HG LYS 53 HG1 LYS 53 11.649 10.983 3.394 438 1HD LYS 53 HD2 LYS 53 13.880 11.468 3.277 439 2HD LYS 53 HD1 LYS 53 13.930 10.224 4.533 440 1HE LYS 53 HE2 LYS 53 14.031 8.671 2.381 441 2HE LYS 53 HE1 LYS 53 14.797 10.114 1.706 442 1HZ LYS 53 HZ1 LYS 53 15.672 8.676 4.157 443 2HZ LYS 53 HZ2 LYS 53 16.396 10.068 3.528 444 3HZ LYS 53 HZ3 LYS 53 16.444 8.623 2.652 445 H LYS 54 HN LYS 54 10.757 5.866 3.926 446 HA LYS 54 HA LYS 54 10.478 5.405 6.749 447 1HB LYS 54 HB2 LYS 54 9.497 3.338 4.871 448 2HB LYS 54 HB1 LYS 54 8.672 4.099 6.214 449 1HG LYS 54 HG2 LYS 54 9.130 5.369 3.522 450 2HG LYS 54 HG1 LYS 54 7.640 4.582 4.018 451 1HD LYS 54 HD2 LYS 54 8.849 7.017 5.319 452 2HD LYS 54 HD1 LYS 54 7.515 7.009 4.190 453 1HE LYS 54 HE2 LYS 54 6.465 7.160 6.240 454 2HE LYS 54 HE1 LYS 54 6.344 5.451 5.836 455 1HZ LYS 54 HZ1 LYS 54 7.020 5.924 8.168 456 2HZ LYS 54 HZ2 LYS 54 8.463 6.581 7.582 457 3HZ LYS 54 HZ3 LYS 54 8.113 4.947 7.326 458 H GLY 55 HN GLY 55 11.698 3.569 4.004 459 1HA GLY 55 HA2 GLY 55 13.994 2.560 5.074 460 2HA GLY 55 HA1 GLY 55 12.747 1.424 5.583 461 H VAL 56 HN VAL 56 11.339 2.335 2.974 462 HA VAL 56 HA VAL 56 12.203 0.142 1.375 463 HB VAL 56 HB VAL 56 10.521 2.401 0.328 464 1HG1 VAL 56 HG11 VAL 56 9.936 -0.479 -0.088 465 2HG1 VAL 56 HG12 VAL 56 11.312 0.224 -0.929 466 3HG1 VAL 56 HG13 VAL 56 9.699 0.889 -1.167 467 1HG2 VAL 56 HG21 VAL 56 8.558 1.020 1.264 468 2HG2 VAL 56 HG22 VAL 56 9.417 2.097 2.366 469 3HG2 VAL 56 HG23 VAL 56 9.750 0.364 2.383 470 H LEU 57 HN LEU 57 14.456 0.742 1.239 471 HA LEU 57 HA LEU 57 15.251 3.087 -0.209 472 1HB LEU 57 HB2 LEU 57 16.610 0.752 1.039 473 2HB LEU 57 HB1 LEU 57 17.500 1.698 -0.140 474 HG LEU 57 HG LEU 57 17.692 3.514 1.251 475 1HD1 LEU 57 HD11 LEU 57 16.118 3.845 3.235 476 2HD1 LEU 57 HD12 LEU 57 15.096 2.629 2.468 477 3HD1 LEU 57 HD13 LEU 57 15.465 4.131 1.623 478 1HD2 LEU 57 HD21 LEU 57 18.611 1.374 2.308 479 2HD2 LEU 57 HD22 LEU 57 17.236 1.487 3.413 480 3HD2 LEU 57 HD23 LEU 57 18.426 2.789 3.345 481 H ALA 58 HN ALA 58 14.739 -0.297 -0.966 482 HA ALA 58 HA ALA 58 16.103 -0.517 -3.377 483 1HB ALA 58 HB1 ALA 58 15.023 -2.487 -3.634 484 2HB ALA 58 HB2 ALA 58 13.456 -1.793 -3.209 485 3HB ALA 58 HB3 ALA 58 14.615 -2.202 -1.938 486 H LEU 59 HN LEU 59 15.987 0.902 -4.992 487 HA LEU 59 HA LEU 59 13.884 2.572 -5.630 488 1HB LEU 59 HB2 LEU 59 16.202 1.467 -7.102 489 2HB LEU 59 HB1 LEU 59 14.887 2.055 -8.099 490 HG LEU 59 HG LEU 59 16.550 3.780 -7.808 491 1HD1 LEU 59 HD11 LEU 59 15.087 5.534 -6.709 492 2HD1 LEU 59 HD12 LEU 59 13.937 4.230 -6.406 493 3HD1 LEU 59 HD13 LEU 59 14.383 4.648 -8.061 494 1HD2 LEU 59 HD21 LEU 59 17.184 4.666 -5.694 495 2HD2 LEU 59 HD22 LEU 59 17.377 2.917 -5.613 496 3HD2 LEU 59 HD23 LEU 59 15.983 3.682 -4.856 497 H GLY 60 HN GLY 60 14.402 -0.789 -6.270 498 1HA GLY 60 HA2 GLY 60 12.323 -1.079 -8.193 499 2HA GLY 60 HA1 GLY 60 13.149 -2.378 -7.357 500 H ALA 61 HN ALA 61 12.535 -1.542 -4.700 501 HA ALA 61 HA ALA 61 9.931 -2.693 -4.461 502 1HB ALA 61 HB1 ALA 61 10.465 -3.067 -2.320 503 2HB ALA 61 HB2 ALA 61 11.117 -1.449 -2.081 504 3HB ALA 61 HB3 ALA 61 12.092 -2.687 -2.872 505 H ARG 62 HN ARG 62 11.214 0.548 -3.594 506 HA ARG 62 HA ARG 62 8.705 1.490 -2.718 507 1HB ARG 62 HB2 ARG 62 9.755 3.746 -2.806 508 2HB ARG 62 HB1 ARG 62 10.624 2.564 -1.865 509 1HG ARG 62 HG2 ARG 62 12.276 2.316 -3.579 510 2HG ARG 62 HG1 ARG 62 11.355 3.362 -4.663 511 1HD ARG 62 HD2 ARG 62 11.622 5.215 -3.096 512 2HD ARG 62 HD1 ARG 62 12.529 4.185 -2.010 513 HE ARG 62 HE ARG 62 13.986 4.033 -4.262 514 1HH1 ARG 62 HH11 ARG 62 12.630 6.743 -2.534 515 2HH1 ARG 62 HH12 ARG 62 13.875 7.844 -3.019 516 1HH2 ARG 62 HH21 ARG 62 15.630 5.496 -4.907 517 2HH2 ARG 62 HH22 ARG 62 15.575 7.137 -4.363 518 H ARG 63 HN ARG 63 10.513 2.495 -5.614 519 HA ARG 63 HA ARG 63 8.531 4.023 -6.750 520 1HB ARG 63 HB2 ARG 63 9.806 4.073 -8.641 521 2HB ARG 63 HB1 ARG 63 10.999 3.424 -7.527 522 1HG ARG 63 HG2 ARG 63 10.413 1.151 -8.303 523 2HG ARG 63 HG1 ARG 63 9.340 1.881 -9.495 524 1HD ARG 63 HD2 ARG 63 11.203 3.029 -10.528 525 2HD ARG 63 HD1 ARG 63 12.303 2.434 -9.281 526 HE ARG 63 HE ARG 63 11.092 0.232 -10.513 527 1HH1 ARG 63 HH11 ARG 63 13.318 2.799 -11.284 528 2HH1 ARG 63 HH12 ARG 63 14.168 1.877 -12.479 529 1HH2 ARG 63 HH21 ARG 63 12.203 -0.988 -12.086 530 2HH2 ARG 63 HH22 ARG 63 13.534 -0.276 -12.935 531 H LYS 64 HN LYS 64 8.709 0.611 -6.360 532 HA LYS 64 HA LYS 64 6.704 -0.033 -8.342 533 1HB LYS 64 HB2 LYS 64 8.416 -1.668 -7.729 534 2HB LYS 64 HB1 LYS 64 7.850 -1.653 -6.060 535 1HG LYS 64 HG2 LYS 64 7.017 -3.620 -7.111 536 2HG LYS 64 HG1 LYS 64 5.659 -2.518 -6.880 537 1HD LYS 64 HD2 LYS 64 5.762 -1.844 -9.201 538 2HD LYS 64 HD1 LYS 64 7.206 -2.827 -9.451 539 1HE LYS 64 HE2 LYS 64 4.465 -3.850 -8.716 540 2HE LYS 64 HE1 LYS 64 5.214 -3.948 -10.310 541 1HZ LYS 64 HZ1 LYS 64 6.251 -5.236 -7.841 542 2HZ LYS 64 HZ2 LYS 64 6.941 -5.350 -9.381 543 3HZ LYS 64 HZ3 LYS 64 5.419 -6.026 -9.085 544 H LEU 65 HN LEU 65 6.807 0.358 -4.827 545 HA LEU 65 HA LEU 65 4.227 -0.447 -4.217 546 1HB LEU 65 HB2 LEU 65 6.233 1.312 -2.973 547 2HB LEU 65 HB1 LEU 65 4.575 1.569 -2.457 548 HG LEU 65 HG LEU 65 5.450 -1.241 -2.487 549 1HD1 LEU 65 HD11 LEU 65 6.630 0.772 -0.588 550 2HD1 LEU 65 HD12 LEU 65 7.489 -0.271 -1.722 551 3HD1 LEU 65 HD13 LEU 65 6.653 -0.973 -0.337 552 1HD2 LEU 65 HD21 LEU 65 4.227 -1.266 -0.377 553 2HD2 LEU 65 HD22 LEU 65 3.261 -0.532 -1.657 554 3HD2 LEU 65 HD23 LEU 65 4.047 0.486 -0.451 555 H LEU 66 HN LEU 66 5.364 2.403 -5.801 556 HA LEU 66 HA LEU 66 3.228 4.146 -5.369 557 1HB LEU 66 HB2 LEU 66 5.266 3.833 -7.526 558 2HB LEU 66 HB1 LEU 66 3.921 4.927 -7.794 559 HG LEU 66 HG LEU 66 5.352 5.246 -5.226 560 1HD1 LEU 66 HD11 LEU 66 6.705 5.408 -7.829 561 2HD1 LEU 66 HD12 LEU 66 7.370 5.208 -6.204 562 3HD1 LEU 66 HD13 LEU 66 6.907 6.811 -6.779 563 1HD2 LEU 66 HD21 LEU 66 5.004 7.611 -5.748 564 2HD2 LEU 66 HD22 LEU 66 3.501 6.694 -5.856 565 3HD2 LEU 66 HD23 LEU 66 4.353 7.166 -7.326 566 H LYS 67 HN LYS 67 3.468 1.281 -7.259 567 HA LYS 67 HA LYS 67 1.196 1.795 -8.934 568 1HB LYS 67 HB2 LYS 67 2.764 -0.695 -8.269 569 2HB LYS 67 HB1 LYS 67 1.311 -0.752 -9.248 570 1HG LYS 67 HG2 LYS 67 3.667 0.980 -9.932 571 2HG LYS 67 HG1 LYS 67 3.478 -0.676 -10.513 572 1HD LYS 67 HD2 LYS 67 1.540 1.591 -10.978 573 2HD LYS 67 HD1 LYS 67 2.678 0.949 -12.162 574 1HE LYS 67 HE2 LYS 67 0.589 -0.742 -10.823 575 2HE LYS 67 HE1 LYS 67 0.289 0.121 -12.333 576 1HZ LYS 67 HZ1 LYS 67 2.090 -1.105 -13.359 577 2HZ LYS 67 HZ2 LYS 67 0.959 -2.181 -12.709 578 3HZ LYS 67 HZ3 LYS 67 2.421 -1.906 -11.906 579 H ALA 68 HN ALA 68 1.862 0.152 -5.917 580 HA ALA 68 HA ALA 68 -0.768 -0.893 -5.543 581 1HB ALA 68 HB1 ALA 68 0.024 -1.255 -3.194 582 2HB ALA 68 HB2 ALA 68 1.533 -0.456 -3.643 583 3HB ALA 68 HB3 ALA 68 1.061 -1.963 -4.432 584 H PHE 69 HN PHE 69 0.749 2.141 -5.033 585 HA PHE 69 HA PHE 69 -0.956 3.145 -3.001 586 1HB PHE 69 HB2 PHE 69 0.884 4.456 -4.996 587 2HB PHE 69 HB1 PHE 69 -0.052 5.379 -3.835 588 HD1 PHE 69 HD1 PHE 69 0.695 2.479 -2.122 589 HD2 PHE 69 HD2 PHE 69 2.594 5.978 -3.638 590 HE1 PHE 69 HE1 PHE 69 2.485 2.227 -0.460 591 HE2 PHE 69 HE2 PHE 69 4.385 5.727 -1.971 592 HZ PHE 69 HZ PHE 69 4.326 3.854 -0.369 593 H GLY 70 HN GLY 70 -0.959 3.402 -6.542 594 1HA GLY 70 HA2 GLY 70 -3.201 5.179 -6.604 595 2HA GLY 70 HA1 GLY 70 -2.487 4.369 -7.982 596 H ILE 71 HN ILE 71 -2.869 1.709 -7.303 597 HA ILE 71 HA ILE 71 -5.459 1.233 -8.177 598 HB ILE 71 HB ILE 71 -3.774 -0.635 -6.503 599 1HG1 ILE 71 HG12 ILE 71 -3.906 -0.683 -9.495 600 2HG1 ILE 71 HG11 ILE 71 -2.827 0.457 -8.696 601 1HG2 ILE 71 HG21 ILE 71 -5.884 -1.298 -8.549 602 2HG2 ILE 71 HG22 ILE 71 -6.176 -1.258 -6.812 603 3HG2 ILE 71 HG23 ILE 71 -5.031 -2.416 -7.485 604 1HD1 ILE 71 HD11 ILE 71 -2.791 -2.504 -8.193 605 2HD1 ILE 71 HD12 ILE 71 -1.612 -1.300 -7.668 606 3HD1 ILE 71 HD13 ILE 71 -1.773 -1.689 -9.382 607 H VAL 72 HN VAL 72 -4.211 1.548 -4.909 608 HA VAL 72 HA VAL 72 -6.618 0.683 -3.617 609 HB VAL 72 HB VAL 72 -4.376 2.379 -2.510 610 1HG1 VAL 72 HG11 VAL 72 -5.199 1.727 -0.319 611 2HG1 VAL 72 HG12 VAL 72 -6.508 0.813 -1.059 612 3HG1 VAL 72 HG13 VAL 72 -6.457 2.565 -1.224 613 1HG2 VAL 72 HG21 VAL 72 -3.875 0.007 -3.401 614 2HG2 VAL 72 HG22 VAL 72 -4.745 -0.544 -1.970 615 3HG2 VAL 72 HG23 VAL 72 -3.304 0.455 -1.795 616 H ILE 73 HN ILE 73 -5.155 3.835 -4.291 617 HA ILE 73 HA ILE 73 -6.995 5.521 -3.087 618 HB ILE 73 HB ILE 73 -5.217 5.829 -5.488 619 1HG1 ILE 73 HG12 ILE 73 -5.231 7.257 -2.825 620 2HG1 ILE 73 HG11 ILE 73 -4.320 5.785 -3.137 621 1HG2 ILE 73 HG21 ILE 73 -5.851 8.367 -5.104 622 2HG2 ILE 73 HG22 ILE 73 -7.371 7.646 -4.576 623 3HG2 ILE 73 HG23 ILE 73 -6.771 7.338 -6.203 624 1HD1 ILE 73 HD11 ILE 73 -3.931 8.167 -4.886 625 2HD1 ILE 73 HD12 ILE 73 -2.818 6.849 -4.513 626 3HD1 ILE 73 HD13 ILE 73 -3.156 8.088 -3.305 627 H ASP 74 HN ASP 74 -7.037 4.341 -6.423 628 HA ASP 74 HA ASP 74 -9.403 5.669 -7.203 629 1HB ASP 74 HB2 ASP 74 -7.535 4.435 -8.615 630 2HB ASP 74 HB1 ASP 74 -8.616 3.055 -8.449 631 H TYR 75 HN TYR 75 -8.954 2.174 -6.425 632 HA TYR 75 HA TYR 75 -11.668 1.520 -6.480 633 1HB TYR 75 HB2 TYR 75 -9.324 0.331 -5.012 634 2HB TYR 75 HB1 TYR 75 -10.948 -0.339 -4.852 635 HD1 TYR 75 HD1 TYR 75 -12.004 -0.034 -7.561 636 HD2 TYR 75 HD2 TYR 75 -8.135 -1.251 -6.282 637 HE1 TYR 75 HE1 TYR 75 -11.714 -1.276 -9.657 638 HE2 TYR 75 HE2 TYR 75 -7.833 -2.498 -8.381 639 HH TYR 75 HH TYR 75 -9.216 -3.525 -10.130 640 H LYS 76 HN LYS 76 -9.712 3.036 -4.072 641 HA LYS 76 HA LYS 76 -11.500 2.954 -1.894 642 1HB LYS 76 HB2 LYS 76 -9.167 3.593 -1.612 643 2HB LYS 76 HB1 LYS 76 -9.371 4.938 -2.708 644 1HG LYS 76 HG2 LYS 76 -11.245 5.497 -0.838 645 2HG LYS 76 HG1 LYS 76 -9.949 4.773 0.123 646 1HD LYS 76 HD2 LYS 76 -9.669 7.049 -1.833 647 2HD LYS 76 HD1 LYS 76 -9.633 7.166 -0.090 648 1HE LYS 76 HE2 LYS 76 -7.591 5.951 0.051 649 2HE LYS 76 HE1 LYS 76 -7.681 5.536 -1.658 650 1HZ LYS 76 HZ1 LYS 76 -6.123 7.319 -1.308 651 2HZ LYS 76 HZ2 LYS 76 -7.302 8.260 -0.547 652 3HZ LYS 76 HZ3 LYS 76 -7.447 7.894 -2.191 653 H GLU 77 HN GLU 77 -10.870 5.286 -4.435 654 HA GLU 77 HA GLU 77 -12.893 7.128 -3.796 655 1HB GLU 77 HB2 GLU 77 -11.201 6.577 -6.220 656 2HB GLU 77 HB1 GLU 77 -12.359 7.888 -6.187 657 1HG GLU 77 HG2 GLU 77 -11.169 8.611 -4.040 658 2HG GLU 77 HG1 GLU 77 -9.888 7.531 -4.550 659 H ARG 78 HN ARG 78 -12.946 4.090 -5.378 660 HA ARG 78 HA ARG 78 -15.430 4.650 -6.806 661 1HB ARG 78 HB2 ARG 78 -13.608 2.251 -6.677 662 2HB ARG 78 HB1 ARG 78 -15.174 2.205 -7.468 663 1HG ARG 78 HG2 ARG 78 -14.443 3.986 -8.988 664 2HG ARG 78 HG1 ARG 78 -12.860 3.979 -8.207 665 1HD ARG 78 HD2 ARG 78 -12.532 1.655 -8.857 666 2HD ARG 78 HD1 ARG 78 -14.131 1.624 -9.599 667 HE ARG 78 HE ARG 78 -12.765 3.692 -10.801 668 1HH1 ARG 78 HH11 ARG 78 -12.387 0.246 -10.473 669 2HH1 ARG 78 HH12 ARG 78 -11.566 0.061 -11.985 670 1HH2 ARG 78 HH21 ARG 78 -11.683 3.460 -12.797 671 2HH2 ARG 78 HH22 ARG 78 -11.166 1.888 -13.307 672 H ASP 79 HN ASP 79 -15.020 4.435 -3.778 673 HA ASP 79 HA ASP 79 -16.035 3.571 -1.951 674 1HB ASP 79 HB2 ASP 79 -18.343 2.948 -3.783 675 2HB ASP 79 HB1 ASP 79 -18.376 3.404 -2.087 676 H LEU 80 HN LEU 80 -14.487 1.797 -3.719 677 HA LEU 80 HA LEU 80 -15.805 -0.777 -3.507 678 1HB LEU 80 HB2 LEU 80 -13.652 0.347 -5.064 679 2HB LEU 80 HB1 LEU 80 -13.144 -1.153 -4.322 680 HG LEU 80 HG LEU 80 -15.526 -1.933 -5.297 681 1HD1 LEU 80 HD11 LEU 80 -15.883 -0.962 -7.485 682 2HD1 LEU 80 HD12 LEU 80 -14.522 0.137 -7.244 683 3HD1 LEU 80 HD13 LEU 80 -15.972 0.296 -6.250 684 1HD2 LEU 80 HD21 LEU 80 -13.290 -2.942 -5.673 685 2HD2 LEU 80 HD22 LEU 80 -13.023 -1.753 -6.945 686 3HD2 LEU 80 HD23 LEU 80 -14.313 -2.940 -7.110 687 H ILE 81 HN ILE 81 -14.039 1.172 -1.498 688 HA ILE 81 HA ILE 81 -12.995 -1.119 0.042 689 HB ILE 81 HB ILE 81 -12.051 1.753 0.086 690 1HG1 ILE 81 HG12 ILE 81 -10.749 -0.774 -0.954 691 2HG1 ILE 81 HG11 ILE 81 -11.343 0.565 -1.929 692 1HG2 ILE 81 HG21 ILE 81 -10.948 -0.639 1.565 693 2HG2 ILE 81 HG22 ILE 81 -11.934 0.627 2.298 694 3HG2 ILE 81 HG23 ILE 81 -10.344 1.016 1.638 695 1HD1 ILE 81 HD11 ILE 81 -9.031 0.620 -0.005 696 2HD1 ILE 81 HD12 ILE 81 -9.661 2.026 -0.862 697 3HD1 ILE 81 HD13 ILE 81 -8.954 0.687 -1.766 698 H ASP 82 HN ASP 82 -13.675 -1.395 2.090 699 HA ASP 82 HA ASP 82 -16.034 -0.159 2.973 700 1HB ASP 82 HB2 ASP 82 -14.920 -2.435 3.646 701 2HB ASP 82 HB1 ASP 82 -14.135 -1.459 4.888 702 H ARG 83 HN ARG 83 -16.425 1.556 4.258 703 HA ARG 83 HA ARG 83 -14.452 3.517 4.622 704 1HB ARG 83 HB2 ARG 83 -17.203 3.184 5.808 705 2HB ARG 83 HB1 ARG 83 -16.188 4.576 6.159 706 1HG ARG 83 HG2 ARG 83 -17.060 3.743 3.400 707 2HG ARG 83 HG1 ARG 83 -17.836 4.994 4.373 708 1HD ARG 83 HD2 ARG 83 -15.897 6.365 4.313 709 2HD ARG 83 HD1 ARG 83 -14.916 5.063 3.643 710 HE ARG 83 HE ARG 83 -15.775 5.516 1.548 711 1HH1 ARG 83 HH11 ARG 83 -17.493 7.337 3.974 712 2HH1 ARG 83 HH12 ARG 83 -18.304 8.348 2.825 713 1HH2 ARG 83 HH21 ARG 83 -16.839 6.843 0.030 714 2HH2 ARG 83 HH22 ARG 83 -17.932 8.068 0.582 715 H SER 84 HN SER 84 -15.069 0.696 6.345 716 HA SER 84 HA SER 84 -14.359 1.515 8.962 717 1HB SER 84 HB2 SER 84 -15.531 -0.632 8.396 718 2HB SER 84 HB1 SER 84 -14.006 -1.237 7.752 719 HG SER 84 HG SER 84 -13.230 -0.539 9.996 720 H ALA 85 HN ALA 85 -12.523 0.425 6.165 721 HA ALA 85 HA ALA 85 -10.031 0.053 7.407 722 1HB ALA 85 HB1 ALA 85 -9.088 0.503 5.122 723 2HB ALA 85 HB2 ALA 85 -10.729 0.867 4.583 724 3HB ALA 85 HB3 ALA 85 -10.329 -0.743 5.175 725 H TYR 86 HN TYR 86 -11.541 2.865 5.931 726 HA TYR 86 HA TYR 86 -9.580 4.747 5.932 727 1HB TYR 86 HB2 TYR 86 -12.470 5.051 6.745 728 2HB TYR 86 HB1 TYR 86 -11.391 6.422 6.554 729 HD1 TYR 86 HD1 TYR 86 -12.182 3.353 4.587 730 HD2 TYR 86 HD2 TYR 86 -11.702 7.573 4.588 731 HE1 TYR 86 HE1 TYR 86 -12.715 3.402 2.188 732 HE2 TYR 86 HE2 TYR 86 -12.232 7.641 2.188 733 HH TYR 86 HH TYR 86 -12.228 6.182 0.256 Start of MODEL 3 1 1H SER 1 HT1 SER 1 6.326 -16.494 -6.227 2 2H SER 1 HT2 SER 1 6.568 -16.811 -4.583 3 3H SER 1 HT3 SER 1 7.806 -16.114 -5.500 4 HA SER 1 HA SER 1 5.191 -14.857 -4.907 5 1HB SER 1 HB2 SER 1 6.631 -15.005 -2.917 6 2HB SER 1 HB1 SER 1 7.951 -14.252 -3.811 7 HG SER 1 HG SER 1 5.946 -13.077 -2.500 8 H ASN 2 HN ASN 2 4.999 -12.682 -5.629 9 HA ASN 2 HA ASN 2 6.995 -11.506 -7.314 10 1HB ASN 2 HB2 ASN 2 5.872 -11.626 -9.415 11 2HB ASN 2 HB1 ASN 2 5.943 -13.268 -8.787 12 1HD2 ASN 2 HD21 ASN 2 3.800 -12.706 -6.825 13 2HD2 ASN 2 HD22 ASN 2 2.332 -12.704 -7.737 14 H SER 3 HN SER 3 5.065 -11.007 -5.021 15 HA SER 3 HA SER 3 3.885 -9.274 -4.155 16 1HB SER 3 HB2 SER 3 5.667 -7.820 -4.803 17 2HB SER 3 HB1 SER 3 5.159 -7.846 -6.494 18 HG SER 3 HG SER 3 3.383 -6.628 -5.969 19 H SER 4 HN SER 4 3.479 -8.217 -7.505 20 HA SER 4 HA SER 4 1.646 -7.975 -8.822 21 1HB SER 4 HB2 SER 4 0.794 -10.400 -7.239 22 2HB SER 4 HB1 SER 4 -0.182 -9.729 -8.547 23 HG SER 4 HG SER 4 1.746 -11.440 -8.795 24 H MET 5 HN MET 5 0.852 -6.007 -8.280 25 HA MET 5 HA MET 5 -0.440 -5.331 -5.896 26 1HB MET 5 HB2 MET 5 -0.399 -4.148 -8.648 27 2HB MET 5 HB1 MET 5 -1.502 -3.503 -7.441 28 1HG MET 5 HG2 MET 5 0.628 -2.272 -7.589 29 2HG MET 5 HG1 MET 5 0.315 -2.941 -5.988 30 1HE MET 5 HE1 MET 5 4.046 -3.356 -5.793 31 2HE MET 5 HE2 MET 5 2.590 -2.494 -5.292 32 3HE MET 5 HE3 MET 5 3.417 -2.038 -6.780 33 H ASN 6 HN ASN 6 -2.059 -6.643 -5.223 34 HA ASN 6 HA ASN 6 -4.129 -7.543 -7.027 35 1HB ASN 6 HB2 ASN 6 -3.637 -7.951 -4.075 36 2HB ASN 6 HB1 ASN 6 -5.056 -8.582 -4.904 37 1HD2 ASN 6 HD21 ASN 6 -4.810 -10.200 -6.450 38 2HD2 ASN 6 HD22 ASN 6 -3.384 -11.180 -6.522 39 HA PRO 7 HA PRO 7 -6.424 -3.709 -6.142 40 1HB PRO 7 HB2 PRO 7 -8.404 -5.016 -7.913 41 2HB PRO 7 HB1 PRO 7 -7.676 -3.414 -8.036 42 1HG PRO 7 HG2 PRO 7 -6.985 -5.385 -9.707 43 2HG PRO 7 HG1 PRO 7 -5.800 -4.199 -9.131 44 1HD PRO 7 HD2 PRO 7 -6.235 -7.027 -8.254 45 2HD PRO 7 HD1 PRO 7 -4.717 -6.132 -8.471 46 H LYS 8 HN LYS 8 -7.219 -7.007 -5.732 47 HA LYS 8 HA LYS 8 -9.721 -6.605 -4.396 48 1HB LYS 8 HB2 LYS 8 -9.214 -9.082 -3.738 49 2HB LYS 8 HB1 LYS 8 -9.578 -8.682 -5.400 50 1HG LYS 8 HG2 LYS 8 -6.777 -8.456 -5.004 51 2HG LYS 8 HG1 LYS 8 -7.333 -10.023 -4.420 52 1HD LYS 8 HD2 LYS 8 -6.674 -10.063 -6.799 53 2HD LYS 8 HD1 LYS 8 -8.364 -10.500 -6.561 54 1HE LYS 8 HE2 LYS 8 -7.545 -7.699 -7.210 55 2HE LYS 8 HE1 LYS 8 -7.712 -8.902 -8.481 56 1HZ LYS 8 HZ1 LYS 8 -9.809 -7.850 -6.678 57 2HZ LYS 8 HZ2 LYS 8 -10.020 -9.281 -7.552 58 3HZ LYS 8 HZ3 LYS 8 -9.767 -7.822 -8.369 59 H SER 9 HN SER 9 -6.639 -7.945 -3.318 60 HA SER 9 HA SER 9 -7.218 -7.668 -0.571 61 1HB SER 9 HB2 SER 9 -5.585 -9.295 -1.532 62 2HB SER 9 HB1 SER 9 -4.497 -7.948 -1.858 63 HG SER 9 HG SER 9 -4.742 -7.517 0.493 64 H LEU 10 HN LEU 10 -5.178 -5.739 -2.734 65 HA LEU 10 HA LEU 10 -4.203 -3.934 -0.868 66 1HB LEU 10 HB2 LEU 10 -4.929 -3.374 -3.742 67 2HB LEU 10 HB1 LEU 10 -3.913 -2.363 -2.735 68 HG LEU 10 HG LEU 10 -3.272 -5.156 -3.682 69 1HD1 LEU 10 HD11 LEU 10 -2.122 -2.455 -4.352 70 2HD1 LEU 10 HD12 LEU 10 -3.011 -3.532 -5.429 71 3HD1 LEU 10 HD13 LEU 10 -1.416 -3.996 -4.840 72 1HD2 LEU 10 HD21 LEU 10 -2.353 -3.787 -1.375 73 2HD2 LEU 10 HD22 LEU 10 -1.036 -3.834 -2.547 74 3HD2 LEU 10 HD23 LEU 10 -1.810 -5.330 -2.027 75 H THR 11 HN THR 11 -7.414 -4.368 -1.881 76 HA THR 11 HA THR 11 -8.084 -1.707 -0.774 77 HB THR 11 HB THR 11 -9.885 -1.456 -2.290 78 HG1 THR 11 HG1 THR 11 -10.711 -3.542 -2.369 79 1HG2 THR 11 HG21 THR 11 -7.563 -1.081 -3.203 80 2HG2 THR 11 HG22 THR 11 -8.792 -1.409 -4.418 81 3HG2 THR 11 HG23 THR 11 -7.672 -2.679 -3.936 82 H ASP 12 HN ASP 12 -7.830 -4.363 0.492 83 HA ASP 12 HA ASP 12 -10.585 -4.727 1.441 84 1HB ASP 12 HB2 ASP 12 -9.375 -6.726 0.418 85 2HB ASP 12 HB1 ASP 12 -8.295 -6.663 1.807 86 HA PRO 13 HA PRO 13 -9.135 -2.291 4.911 87 1HB PRO 13 HB2 PRO 13 -11.399 -3.847 6.125 88 2HB PRO 13 HB1 PRO 13 -10.979 -2.140 6.327 89 1HG PRO 13 HG2 PRO 13 -12.919 -2.808 4.676 90 2HG PRO 13 HG1 PRO 13 -11.740 -1.560 4.203 91 1HD PRO 13 HD2 PRO 13 -11.980 -4.402 3.297 92 2HD PRO 13 HD1 PRO 13 -11.453 -2.970 2.396 93 H LYS 14 HN LYS 14 -9.436 -5.771 4.845 94 HA LYS 14 HA LYS 14 -8.479 -6.308 7.448 95 1HB LYS 14 HB2 LYS 14 -9.416 -7.883 5.483 96 2HB LYS 14 HB1 LYS 14 -7.693 -8.157 5.264 97 1HG LYS 14 HG2 LYS 14 -9.266 -8.605 7.793 98 2HG LYS 14 HG1 LYS 14 -8.642 -9.848 6.710 99 1HD LYS 14 HD2 LYS 14 -6.935 -7.861 8.219 100 2HD LYS 14 HD1 LYS 14 -7.251 -9.520 8.739 101 1HE LYS 14 HE2 LYS 14 -6.270 -10.305 6.585 102 2HE LYS 14 HE1 LYS 14 -5.835 -8.632 6.232 103 1HZ LYS 14 HZ1 LYS 14 -4.003 -9.923 7.208 104 2HZ LYS 14 HZ2 LYS 14 -4.912 -10.141 8.617 105 3HZ LYS 14 HZ3 LYS 14 -4.426 -8.587 8.156 106 H LEU 15 HN LEU 15 -6.791 -6.124 4.332 107 HA LEU 15 HA LEU 15 -4.185 -6.307 5.490 108 1HB LEU 15 HB2 LEU 15 -5.128 -5.415 2.769 109 2HB LEU 15 HB1 LEU 15 -3.455 -5.562 3.205 110 HG LEU 15 HG LEU 15 -4.054 -7.485 1.939 111 1HD1 LEU 15 HD11 LEU 15 -4.115 -9.032 4.302 112 2HD1 LEU 15 HD12 LEU 15 -3.161 -7.581 4.630 113 3HD1 LEU 15 HD13 LEU 15 -2.729 -8.638 3.282 114 1HD2 LEU 15 HD21 LEU 15 -5.852 -8.979 2.546 115 2HD2 LEU 15 HD22 LEU 15 -6.486 -7.349 2.319 116 3HD2 LEU 15 HD23 LEU 15 -6.250 -7.985 3.947 117 H LEU 16 HN LEU 16 -6.175 -3.735 4.161 118 HA LEU 16 HA LEU 16 -4.426 -1.629 4.251 119 1HB LEU 16 HB2 LEU 16 -7.363 -1.501 4.932 120 2HB LEU 16 HB1 LEU 16 -6.375 -0.214 4.268 121 HG LEU 16 HG LEU 16 -6.872 -2.790 2.805 122 1HD1 LEU 16 HD11 LEU 16 -8.743 -1.964 1.810 123 2HD1 LEU 16 HD12 LEU 16 -8.256 -0.289 2.030 124 3HD1 LEU 16 HD13 LEU 16 -8.906 -1.198 3.391 125 1HD2 LEU 16 HD21 LEU 16 -5.129 -0.601 2.410 126 2HD2 LEU 16 HD22 LEU 16 -6.370 -0.529 1.161 127 3HD2 LEU 16 HD23 LEU 16 -5.403 -1.989 1.358 128 H LYS 17 HN LYS 17 -6.589 -2.713 6.876 129 HA LYS 17 HA LYS 17 -5.687 -0.790 8.745 130 1HB LYS 17 HB2 LYS 17 -7.003 -3.481 9.167 131 2HB LYS 17 HB1 LYS 17 -6.740 -2.294 10.437 132 1HG LYS 17 HG2 LYS 17 -8.260 -0.785 9.480 133 2HG LYS 17 HG1 LYS 17 -8.292 -1.664 7.951 134 1HD LYS 17 HD2 LYS 17 -9.347 -3.572 9.102 135 2HD LYS 17 HD1 LYS 17 -9.374 -2.632 10.596 136 1HE LYS 17 HE2 LYS 17 -10.819 -0.995 9.588 137 2HE LYS 17 HE1 LYS 17 -10.712 -1.803 8.028 138 1HZ LYS 17 HZ1 LYS 17 -12.766 -2.381 9.093 139 2HZ LYS 17 HZ2 LYS 17 -11.962 -2.885 10.494 140 3HZ LYS 17 HZ3 LYS 17 -11.775 -3.752 9.054 141 H ASN 18 HN ASN 18 -4.481 -3.841 7.667 142 HA ASN 18 HA ASN 18 -2.348 -3.765 9.705 143 1HB ASN 18 HB2 ASN 18 -3.951 -5.867 9.310 144 2HB ASN 18 HB1 ASN 18 -2.827 -6.180 8.006 145 1HD2 ASN 18 HD21 ASN 18 -0.584 -6.336 8.555 146 2HD2 ASN 18 HD22 ASN 18 -0.156 -6.997 10.085 147 H ILE 19 HN ILE 19 -1.587 -2.019 8.105 148 HA ILE 19 HA ILE 19 -0.857 -2.314 5.540 149 HB ILE 19 HB ILE 19 0.675 -0.983 7.753 150 1HG1 ILE 19 HG12 ILE 19 -1.487 0.002 7.056 151 2HG1 ILE 19 HG11 ILE 19 -0.134 1.057 6.689 152 1HG2 ILE 19 HG21 ILE 19 1.338 -0.589 4.853 153 2HG2 ILE 19 HG22 ILE 19 2.163 -1.798 5.828 154 3HG2 ILE 19 HG23 ILE 19 2.255 -0.097 6.274 155 1HD1 ILE 19 HD11 ILE 19 -1.457 1.194 4.802 156 2HD1 ILE 19 HD12 ILE 19 -1.828 -0.526 4.800 157 3HD1 ILE 19 HD13 ILE 19 -0.220 0.030 4.340 158 HA PRO 20 HA PRO 20 3.364 -4.627 6.881 159 1HB PRO 20 HB2 PRO 20 1.889 -6.202 8.967 160 2HB PRO 20 HB1 PRO 20 3.609 -5.779 8.889 161 1HG PRO 20 HG2 PRO 20 1.989 -4.445 10.500 162 2HG PRO 20 HG1 PRO 20 3.235 -3.588 9.579 163 1HD PRO 20 HD2 PRO 20 0.290 -3.686 9.152 164 2HD PRO 20 HD1 PRO 20 1.439 -2.374 8.817 165 H MET 21 HN MET 21 0.207 -6.101 7.479 166 HA MET 21 HA MET 21 0.709 -8.487 6.027 167 1HB MET 21 HB2 MET 21 -0.995 -8.004 7.899 168 2HB MET 21 HB1 MET 21 -2.009 -7.338 6.628 169 1HG MET 21 HG2 MET 21 -2.406 -9.726 7.348 170 2HG MET 21 HG1 MET 21 -2.292 -9.404 5.622 171 1HE MET 21 HE1 MET 21 -0.315 -10.500 8.776 172 2HE MET 21 HE2 MET 21 0.921 -9.521 7.984 173 3HE MET 21 HE3 MET 21 1.122 -11.269 8.102 174 H TRP 22 HN TRP 22 -0.921 -5.441 5.290 175 HA TRP 22 HA TRP 22 -1.909 -5.947 2.774 176 1HB TRP 22 HB2 TRP 22 -2.274 -3.883 4.067 177 2HB TRP 22 HB1 TRP 22 -0.608 -3.410 3.807 178 HD1 TRP 22 HD1 TRP 22 -3.903 -3.859 1.851 179 HE1 TRP 22 HE1 TRP 22 -3.796 -2.354 -0.230 180 HE3 TRP 22 HE3 TRP 22 0.931 -2.235 2.281 181 HZ2 TRP 22 HZ2 TRP 22 -1.914 -0.715 -1.537 182 HZ3 TRP 22 HZ3 TRP 22 1.812 -0.707 0.557 183 HH2 TRP 22 HH2 TRP 22 0.417 0.042 -1.304 184 H LEU 23 HN LEU 23 1.333 -5.211 3.826 185 HA LEU 23 HA LEU 23 2.476 -4.997 1.224 186 1HB LEU 23 HB2 LEU 23 3.612 -5.349 3.992 187 2HB LEU 23 HB1 LEU 23 4.624 -5.286 2.567 188 HG LEU 23 HG LEU 23 2.743 -3.084 3.396 189 1HD1 LEU 23 HD11 LEU 23 5.064 -1.965 3.822 190 2HD1 LEU 23 HD12 LEU 23 5.599 -3.631 4.055 191 3HD1 LEU 23 HD13 LEU 23 4.313 -2.965 5.060 192 1HD2 LEU 23 HD21 LEU 23 3.816 -1.773 1.725 193 2HD2 LEU 23 HD22 LEU 23 3.325 -3.292 0.972 194 3HD2 LEU 23 HD23 LEU 23 5.011 -3.033 1.419 195 H LYS 24 HN LYS 24 1.818 -7.594 3.465 196 HA LYS 24 HA LYS 24 3.557 -9.545 2.571 197 1HB LYS 24 HB2 LYS 24 1.409 -9.421 4.330 198 2HB LYS 24 HB1 LYS 24 0.895 -10.589 3.128 199 1HG LYS 24 HG2 LYS 24 3.546 -10.749 4.515 200 2HG LYS 24 HG1 LYS 24 2.080 -11.481 5.171 201 1HD LYS 24 HD2 LYS 24 2.880 -13.252 3.999 202 2HD LYS 24 HD1 LYS 24 1.938 -12.486 2.723 203 1HE LYS 24 HE2 LYS 24 4.032 -11.274 2.050 204 2HE LYS 24 HE1 LYS 24 4.909 -12.304 3.181 205 1HZ LYS 24 HZ1 LYS 24 5.042 -13.224 0.982 206 2HZ LYS 24 HZ2 LYS 24 3.360 -13.208 0.815 207 3HZ LYS 24 HZ3 LYS 24 4.086 -14.243 1.937 208 H SER 25 HN SER 25 0.452 -8.470 1.285 209 HA SER 25 HA SER 25 0.268 -10.463 -0.741 210 1HB SER 25 HB2 SER 25 -1.083 -7.758 -0.473 211 2HB SER 25 HB1 SER 25 -1.472 -8.943 -1.720 212 HG SER 25 HG SER 25 -2.765 -8.927 0.314 213 H LEU 26 HN LEU 26 2.107 -7.652 -0.350 214 HA LEU 26 HA LEU 26 2.790 -7.556 -3.218 215 1HB LEU 26 HB2 LEU 26 3.406 -5.439 -1.164 216 2HB LEU 26 HB1 LEU 26 3.469 -5.294 -2.912 217 HG LEU 26 HG LEU 26 0.908 -5.769 -1.410 218 1HD1 LEU 26 HD11 LEU 26 0.476 -3.370 -1.646 219 2HD1 LEU 26 HD12 LEU 26 2.102 -3.140 -2.288 220 3HD1 LEU 26 HD13 LEU 26 1.879 -3.680 -0.625 221 1HD2 LEU 26 HD21 LEU 26 0.286 -4.456 -3.689 222 2HD2 LEU 26 HD22 LEU 26 0.293 -6.210 -3.524 223 3HD2 LEU 26 HD23 LEU 26 1.689 -5.385 -4.218 224 H ARG 27 HN ARG 27 3.718 -9.242 -0.852 225 HA ARG 27 HA ARG 27 5.592 -10.023 0.138 226 1HB ARG 27 HB2 ARG 27 7.435 -10.575 -1.417 227 2HB ARG 27 HB1 ARG 27 5.852 -11.069 -1.988 228 1HG ARG 27 HG2 ARG 27 6.792 -10.229 -3.888 229 2HG ARG 27 HG1 ARG 27 5.921 -8.824 -3.289 230 1HD ARG 27 HD2 ARG 27 8.192 -8.263 -4.046 231 2HD ARG 27 HD1 ARG 27 7.955 -7.927 -2.331 232 HE ARG 27 HE ARG 27 9.023 -10.349 -2.206 233 1HH1 ARG 27 HH11 ARG 27 9.935 -7.611 -4.160 234 2HH1 ARG 27 HH12 ARG 27 11.612 -8.036 -4.202 235 1HH2 ARG 27 HH21 ARG 27 11.231 -10.918 -2.258 236 2HH2 ARG 27 HH22 ARG 27 12.348 -9.916 -3.123 237 H LEU 28 HN LEU 28 5.270 -7.012 0.107 238 HA LEU 28 HA LEU 28 8.090 -6.253 0.522 239 1HB LEU 28 HB2 LEU 28 5.578 -4.619 0.133 240 2HB LEU 28 HB1 LEU 28 7.083 -3.904 0.684 241 HG LEU 28 HG LEU 28 7.049 -5.506 -1.849 242 1HD1 LEU 28 HD11 LEU 28 6.782 -2.786 -2.518 243 2HD1 LEU 28 HD12 LEU 28 5.467 -3.175 -1.409 244 3HD1 LEU 28 HD13 LEU 28 5.681 -4.113 -2.887 245 1HD2 LEU 28 HD21 LEU 28 9.045 -4.316 -0.487 246 2HD2 LEU 28 HD22 LEU 28 8.571 -2.998 -1.563 247 3HD2 LEU 28 HD23 LEU 28 9.052 -4.558 -2.233 248 H HIS 29 HN HIS 29 6.249 -7.877 2.310 249 HA HIS 29 HA HIS 29 5.661 -6.369 4.608 250 1HB HIS 29 HB2 HIS 29 5.880 -8.561 5.827 251 2HB HIS 29 HB1 HIS 29 4.790 -8.611 4.445 252 HD1 HIS 29 HD1 HIS 29 5.966 -9.606 2.176 253 HD2 HIS 29 HD2 HIS 29 7.751 -10.528 5.812 254 HE1 HIS 29 HE1 HIS 29 7.434 -11.593 1.716 255 HE2 HIS 29 HE2 HIS 29 8.501 -12.141 3.934 256 H LYS 30 HN LYS 30 8.485 -7.172 3.068 257 HA LYS 30 HA LYS 30 10.418 -7.358 5.058 258 1HB LYS 30 HB2 LYS 30 11.847 -6.240 3.203 259 2HB LYS 30 HB1 LYS 30 11.134 -7.799 2.856 260 1HG LYS 30 HG2 LYS 30 9.214 -6.101 1.975 261 2HG LYS 30 HG1 LYS 30 10.675 -5.177 1.664 262 1HD LYS 30 HD2 LYS 30 10.909 -7.978 0.903 263 2HD LYS 30 HD1 LYS 30 9.638 -7.115 0.029 264 1HE LYS 30 HE2 LYS 30 11.324 -5.305 -0.359 265 2HE LYS 30 HE1 LYS 30 12.551 -6.423 0.224 266 1HZ LYS 30 HZ1 LYS 30 10.772 -6.845 -2.120 267 2HZ LYS 30 HZ2 LYS 30 11.901 -7.965 -1.543 268 3HZ LYS 30 HZ3 LYS 30 12.426 -6.487 -2.175 269 H TYR 31 HN TYR 31 8.911 -4.629 3.470 270 HA TYR 31 HA TYR 31 10.226 -2.723 5.250 271 1HB TYR 31 HB2 TYR 31 8.505 -2.292 2.805 272 2HB TYR 31 HB1 TYR 31 9.318 -1.026 3.718 273 HD1 TYR 31 HD1 TYR 31 9.515 -2.748 0.800 274 HD2 TYR 31 HD2 TYR 31 11.969 -1.787 4.139 275 HE1 TYR 31 HE1 TYR 31 11.523 -3.090 -0.580 276 HE2 TYR 31 HE2 TYR 31 13.982 -2.115 2.764 277 HH TYR 31 HH TYR 31 14.642 -3.322 0.727 278 H SER 32 HN SER 32 8.027 -4.627 5.990 279 HA SER 32 HA SER 32 5.625 -3.201 6.331 280 1HB SER 32 HB2 SER 32 5.020 -4.922 7.950 281 2HB SER 32 HB1 SER 32 5.799 -5.670 6.556 282 HG SER 32 HG SER 32 7.789 -5.490 7.892 283 H ASP 33 HN ASP 33 8.410 -3.688 8.447 284 HA ASP 33 HA ASP 33 7.442 -2.295 10.676 285 1HB ASP 33 HB2 ASP 33 9.554 -3.747 10.445 286 2HB ASP 33 HB1 ASP 33 10.339 -2.292 9.846 287 H ALA 34 HN ALA 34 9.090 -1.198 7.782 288 HA ALA 34 HA ALA 34 9.390 1.515 8.667 289 1HB ALA 34 HB1 ALA 34 10.445 1.918 6.638 290 2HB ALA 34 HB2 ALA 34 9.572 0.624 5.820 291 3HB ALA 34 HB3 ALA 34 10.838 0.234 6.987 292 H LEU 35 HN LEU 35 7.008 -0.256 6.845 293 HA LEU 35 HA LEU 35 5.666 2.237 6.102 294 1HB LEU 35 HB2 LEU 35 5.629 -0.555 5.082 295 2HB LEU 35 HB1 LEU 35 4.197 0.423 4.855 296 HG LEU 35 HG LEU 35 5.123 1.641 3.212 297 1HD1 LEU 35 HD11 LEU 35 7.495 2.353 3.111 298 2HD1 LEU 35 HD12 LEU 35 7.776 1.542 4.648 299 3HD1 LEU 35 HD13 LEU 35 6.650 2.892 4.558 300 1HD2 LEU 35 HD21 LEU 35 5.494 -0.471 2.282 301 2HD2 LEU 35 HD22 LEU 35 6.881 -0.805 3.324 302 3HD2 LEU 35 HD23 LEU 35 7.011 0.389 2.025 303 H SER 36 HN SER 36 5.516 -0.088 8.521 304 HA SER 36 HA SER 36 2.717 -0.390 8.815 305 1HB SER 36 HB2 SER 36 3.242 -1.182 11.102 306 2HB SER 36 HB1 SER 36 4.277 -1.940 9.892 307 HG SER 36 HG SER 36 4.908 -0.088 11.878 308 H GLY 37 HN GLY 37 5.063 1.843 10.261 309 1HA GLY 37 HA2 GLY 37 3.385 3.135 12.071 310 2HA GLY 37 HA1 GLY 37 4.780 3.872 11.296 311 H THR 38 HN THR 38 3.163 3.078 8.710 312 HA THR 38 HA THR 38 1.497 5.503 8.716 313 HB THR 38 HB THR 38 2.962 4.311 6.347 314 HG1 THR 38 HG1 THR 38 3.645 6.820 7.331 315 1HG2 THR 38 HG21 THR 38 0.751 5.758 6.165 316 2HG2 THR 38 HG22 THR 38 2.104 6.004 5.059 317 3HG2 THR 38 HG23 THR 38 1.880 7.087 6.433 318 HA PRO 39 HA PRO 39 -1.866 2.635 7.850 319 1HB PRO 39 HB2 PRO 39 -3.742 4.477 7.222 320 2HB PRO 39 HB1 PRO 39 -3.222 4.195 8.886 321 1HG PRO 39 HG2 PRO 39 -2.258 6.268 6.953 322 2HG PRO 39 HG1 PRO 39 -2.820 6.503 8.618 323 1HD PRO 39 HD2 PRO 39 -0.221 6.387 8.102 324 2HD PRO 39 HD1 PRO 39 -0.881 5.544 9.522 325 H TRP 40 HN TRP 40 -3.619 2.528 5.989 326 HA TRP 40 HA TRP 40 -2.158 2.425 3.542 327 1HB TRP 40 HB2 TRP 40 -4.177 1.582 2.512 328 2HB TRP 40 HB1 TRP 40 -3.944 0.792 4.060 329 HD1 TRP 40 HD1 TRP 40 -5.649 1.576 6.078 330 HE1 TRP 40 HE1 TRP 40 -8.081 2.419 5.934 331 HE3 TRP 40 HE3 TRP 40 -5.777 2.925 1.133 332 HZ2 TRP 40 HZ2 TRP 40 -9.804 3.532 4.015 333 HZ3 TRP 40 HZ3 TRP 40 -7.859 3.891 0.237 334 HH2 TRP 40 HH2 TRP 40 -9.827 4.177 1.648 335 H ILE 41 HN ILE 41 -4.870 4.404 4.698 336 HA ILE 41 HA ILE 41 -5.319 5.937 2.459 337 HB ILE 41 HB ILE 41 -6.543 5.968 4.721 338 1HG1 ILE 41 HG12 ILE 41 -6.528 8.761 4.095 339 2HG1 ILE 41 HG11 ILE 41 -6.351 7.847 2.596 340 1HG2 ILE 41 HG21 ILE 41 -4.766 8.309 5.314 341 2HG2 ILE 41 HG22 ILE 41 -4.385 6.694 5.910 342 3HG2 ILE 41 HG23 ILE 41 -5.895 7.475 6.381 343 1HD1 ILE 41 HD11 ILE 41 -8.520 7.413 4.639 344 2HD1 ILE 41 HD12 ILE 41 -8.365 6.611 3.073 345 3HD1 ILE 41 HD13 ILE 41 -8.691 8.345 3.150 346 H GLU 42 HN GLU 42 -2.602 5.980 4.589 347 HA GLU 42 HA GLU 42 -1.648 8.500 3.424 348 1HB GLU 42 HB2 GLU 42 -0.821 6.935 5.860 349 2HB GLU 42 HB1 GLU 42 0.190 8.208 5.193 350 1HG GLU 42 HG2 GLU 42 -2.646 8.553 6.139 351 2HG GLU 42 HG1 GLU 42 -1.201 8.988 7.051 352 H LEU 43 HN LEU 43 -0.956 5.097 3.743 353 HA LEU 43 HA LEU 43 1.596 4.966 2.608 354 1HB LEU 43 HB2 LEU 43 -0.444 3.172 3.384 355 2HB LEU 43 HB1 LEU 43 -0.014 2.758 1.741 356 HG LEU 43 HG LEU 43 1.258 1.401 3.285 357 1HD1 LEU 43 HD11 LEU 43 3.583 2.105 2.626 358 2HD1 LEU 43 HD12 LEU 43 2.847 3.509 1.856 359 3HD1 LEU 43 HD13 LEU 43 2.441 1.885 1.303 360 1HD2 LEU 43 HD21 LEU 43 2.116 2.139 5.194 361 2HD2 LEU 43 HD22 LEU 43 1.248 3.645 4.891 362 3HD2 LEU 43 HD23 LEU 43 2.932 3.483 4.396 363 H ILE 44 HN ILE 44 -1.527 4.323 1.121 364 HA ILE 44 HA ILE 44 -0.741 4.227 -1.527 365 HB ILE 44 HB ILE 44 -3.066 4.484 -2.082 366 1HG1 ILE 44 HG12 ILE 44 -3.628 5.240 0.782 367 2HG1 ILE 44 HG11 ILE 44 -3.371 6.455 -0.452 368 1HG2 ILE 44 HG21 ILE 44 -4.038 2.885 -0.330 369 2HG2 ILE 44 HG22 ILE 44 -2.448 2.954 0.424 370 3HG2 ILE 44 HG23 ILE 44 -2.617 2.353 -1.227 371 1HD1 ILE 44 HD11 ILE 44 -5.773 5.490 0.230 372 2HD1 ILE 44 HD12 ILE 44 -5.362 4.387 -1.083 373 3HD1 ILE 44 HD13 ILE 44 -5.397 6.126 -1.368 374 H TYR 45 HN TYR 45 -0.711 6.872 0.531 375 HA TYR 45 HA TYR 45 -1.012 8.795 -1.671 376 1HB TYR 45 HB2 TYR 45 -1.359 8.970 1.284 377 2HB TYR 45 HB1 TYR 45 -0.846 10.417 0.426 378 HD1 TYR 45 HD1 TYR 45 -3.047 8.068 -1.322 379 HD2 TYR 45 HD2 TYR 45 -2.913 11.528 1.160 380 HE1 TYR 45 HE1 TYR 45 -5.398 8.558 -1.883 381 HE2 TYR 45 HE2 TYR 45 -5.253 12.025 0.600 382 HH TYR 45 HH TYR 45 -7.285 9.785 -0.978 383 H LEU 46 HN LEU 46 1.347 7.262 0.262 384 HA LEU 46 HA LEU 46 3.328 9.248 0.418 385 1HB LEU 46 HB2 LEU 46 3.787 6.288 0.065 386 2HB LEU 46 HB1 LEU 46 4.923 7.447 0.699 387 HG LEU 46 HG LEU 46 2.411 6.473 2.040 388 1HD1 LEU 46 HD11 LEU 46 4.095 5.742 3.750 389 2HD1 LEU 46 HD12 LEU 46 5.357 6.154 2.582 390 3HD1 LEU 46 HD13 LEU 46 4.179 4.890 2.208 391 1HD2 LEU 46 HD21 LEU 46 3.609 8.998 2.323 392 2HD2 LEU 46 HD22 LEU 46 4.122 8.046 3.717 393 3HD2 LEU 46 HD23 LEU 46 2.404 8.251 3.374 394 H ASP 47 HN ASP 47 5.568 8.211 -0.735 395 HA ASP 47 HA ASP 47 5.132 7.856 -3.578 396 1HB ASP 47 HB2 ASP 47 6.611 10.265 -2.495 397 2HB ASP 47 HB1 ASP 47 6.617 9.759 -4.181 398 H ASP 48 HN ASP 48 7.365 7.688 -4.685 399 HA ASP 48 HA ASP 48 8.802 5.607 -3.668 400 1HB ASP 48 HB2 ASP 48 10.639 6.496 -5.194 401 2HB ASP 48 HB1 ASP 48 9.093 6.161 -5.946 402 H GLU 49 HN GLU 49 9.638 9.049 -3.504 403 HA GLU 49 HA GLU 49 11.960 8.888 -2.019 404 1HB GLU 49 HB2 GLU 49 11.217 10.988 -2.977 405 2HB GLU 49 HB1 GLU 49 9.822 11.014 -1.910 406 1HG GLU 49 HG2 GLU 49 11.341 11.190 0.034 407 2HG GLU 49 HG1 GLU 49 12.708 11.244 -1.083 408 H THR 50 HN THR 50 8.687 9.470 -0.698 409 HA THR 50 HA THR 50 9.292 9.461 1.979 410 HB THR 50 HB THR 50 6.811 8.214 0.786 411 HG1 THR 50 HG1 THR 50 7.715 10.784 0.778 412 1HG2 THR 50 HG21 THR 50 7.138 7.799 3.193 413 2HG2 THR 50 HG22 THR 50 5.764 8.869 2.888 414 3HG2 THR 50 HG23 THR 50 7.291 9.539 3.458 415 H LEU 51 HN LEU 51 8.412 6.648 -0.007 416 HA LEU 51 HA LEU 51 8.498 4.657 1.902 417 1HB LEU 51 HB2 LEU 51 9.212 4.694 -1.016 418 2HB LEU 51 HB1 LEU 51 9.305 3.215 -0.079 419 HG LEU 51 HG LEU 51 6.791 4.865 -0.264 420 1HD1 LEU 51 HD11 LEU 51 6.009 3.405 -1.989 421 2HD1 LEU 51 HD12 LEU 51 7.486 2.446 -1.911 422 3HD1 LEU 51 HD13 LEU 51 7.543 4.105 -2.506 423 1HD2 LEU 51 HD21 LEU 51 6.853 3.367 1.620 424 2HD2 LEU 51 HD22 LEU 51 7.357 2.029 0.587 425 3HD2 LEU 51 HD23 LEU 51 5.747 2.723 0.408 426 H GLU 52 HN GLU 52 11.176 6.135 0.123 427 HA GLU 52 HA GLU 52 13.219 4.451 1.140 428 1HB GLU 52 HB2 GLU 52 13.241 6.205 -0.811 429 2HB GLU 52 HB1 GLU 52 13.680 7.342 0.463 430 1HG GLU 52 HG2 GLU 52 15.623 5.968 1.018 431 2HG GLU 52 HG1 GLU 52 15.193 4.839 -0.266 432 H LYS 53 HN LYS 53 11.788 7.476 2.131 433 HA LYS 53 HA LYS 53 13.451 8.067 4.311 434 1HB LYS 53 HB2 LYS 53 10.527 8.774 4.095 435 2HB LYS 53 HB1 LYS 53 11.782 9.643 4.969 436 1HG LYS 53 HG2 LYS 53 11.972 9.263 2.015 437 2HG LYS 53 HG1 LYS 53 10.986 10.556 2.697 438 1HD LYS 53 HD2 LYS 53 13.872 10.150 3.443 439 2HD LYS 53 HD1 LYS 53 13.380 11.142 2.068 440 1HE LYS 53 HE2 LYS 53 12.023 11.640 4.635 441 2HE LYS 53 HE1 LYS 53 13.715 12.125 4.535 442 1HZ LYS 53 HZ1 LYS 53 11.533 12.982 2.707 443 2HZ LYS 53 HZ2 LYS 53 13.159 13.421 2.550 444 3HZ LYS 53 HZ3 LYS 53 12.270 13.937 3.895 445 H LYS 54 HN LYS 54 10.764 5.860 3.963 446 HA LYS 54 HA LYS 54 10.367 5.444 6.784 447 1HB LYS 54 HB2 LYS 54 9.574 3.355 4.819 448 2HB LYS 54 HB1 LYS 54 8.677 3.988 6.183 449 1HG LYS 54 HG2 LYS 54 9.104 5.444 3.591 450 2HG LYS 54 HG1 LYS 54 7.673 4.502 3.973 451 1HD LYS 54 HD2 LYS 54 8.616 6.912 5.516 452 2HD LYS 54 HD1 LYS 54 7.355 6.907 4.305 453 1HE LYS 54 HE2 LYS 54 6.133 6.756 6.230 454 2HE LYS 54 HE1 LYS 54 6.279 5.068 5.742 455 1HZ LYS 54 HZ1 LYS 54 7.974 6.427 7.772 456 2HZ LYS 54 HZ2 LYS 54 8.091 4.802 7.317 457 3HZ LYS 54 HZ3 LYS 54 6.705 5.359 8.109 458 H GLY 55 HN GLY 55 11.504 3.384 4.155 459 1HA GLY 55 HA2 GLY 55 13.873 2.524 5.344 460 2HA GLY 55 HA1 GLY 55 12.618 1.361 5.756 461 H VAL 56 HN VAL 56 11.336 2.191 3.083 462 HA VAL 56 HA VAL 56 12.316 0.050 1.526 463 HB VAL 56 HB VAL 56 10.746 2.379 0.454 464 1HG1 VAL 56 HG11 VAL 56 9.808 0.766 -1.057 465 2HG1 VAL 56 HG12 VAL 56 10.706 -0.515 -0.267 466 3HG1 VAL 56 HG13 VAL 56 11.568 0.730 -1.153 467 1HG2 VAL 56 HG21 VAL 56 8.741 0.851 1.073 468 2HG2 VAL 56 HG22 VAL 56 9.439 1.895 2.311 469 3HG2 VAL 56 HG23 VAL 56 9.851 0.180 2.265 470 H LEU 57 HN LEU 57 14.537 0.390 1.354 471 HA LEU 57 HA LEU 57 15.513 2.764 -0.033 472 1HB LEU 57 HB2 LEU 57 16.743 0.560 1.552 473 2HB LEU 57 HB1 LEU 57 17.749 1.447 0.424 474 HG LEU 57 HG LEU 57 17.765 3.342 1.705 475 1HD1 LEU 57 HD11 LEU 57 15.934 3.802 3.431 476 2HD1 LEU 57 HD12 LEU 57 15.023 2.536 2.610 477 3HD1 LEU 57 HD13 LEU 57 15.516 3.978 1.729 478 1HD2 LEU 57 HD21 LEU 57 18.663 1.469 3.040 479 2HD2 LEU 57 HD22 LEU 57 17.079 1.288 3.798 480 3HD2 LEU 57 HD23 LEU 57 18.006 2.771 4.034 481 H ALA 58 HN ALA 58 13.969 0.570 -1.382 482 HA ALA 58 HA ALA 58 15.997 -0.186 -3.389 483 1HB ALA 58 HB1 ALA 58 15.047 -2.224 -3.647 484 2HB ALA 58 HB2 ALA 58 13.427 -1.621 -3.297 485 3HB ALA 58 HB3 ALA 58 14.557 -1.932 -1.976 486 H LEU 59 HN LEU 59 15.879 1.210 -5.013 487 HA LEU 59 HA LEU 59 13.745 2.775 -5.773 488 1HB LEU 59 HB2 LEU 59 16.128 1.687 -7.186 489 2HB LEU 59 HB1 LEU 59 14.844 2.340 -8.184 490 HG LEU 59 HG LEU 59 16.597 3.995 -7.750 491 1HD1 LEU 59 HD11 LEU 59 15.110 5.794 -6.896 492 2HD1 LEU 59 HD12 LEU 59 13.921 4.553 -6.494 493 3HD1 LEU 59 HD13 LEU 59 14.390 4.815 -8.174 494 1HD2 LEU 59 HD21 LEU 59 16.918 4.908 -5.517 495 2HD2 LEU 59 HD22 LEU 59 17.297 3.186 -5.543 496 3HD2 LEU 59 HD23 LEU 59 15.770 3.742 -4.859 497 H GLY 60 HN GLY 60 14.383 -0.575 -6.321 498 1HA GLY 60 HA2 GLY 60 12.371 -0.967 -8.299 499 2HA GLY 60 HA1 GLY 60 13.213 -2.224 -7.414 500 H ALA 61 HN ALA 61 12.545 -1.494 -4.804 501 HA ALA 61 HA ALA 61 9.942 -2.633 -4.622 502 1HB ALA 61 HB1 ALA 61 10.446 -3.058 -2.471 503 2HB ALA 61 HB2 ALA 61 11.179 -1.479 -2.199 504 3HB ALA 61 HB3 ALA 61 12.081 -2.742 -3.040 505 H ARG 62 HN ARG 62 11.222 0.574 -3.612 506 HA ARG 62 HA ARG 62 8.739 1.471 -2.668 507 1HB ARG 62 HB2 ARG 62 9.720 3.711 -2.659 508 2HB ARG 62 HB1 ARG 62 10.775 2.524 -1.943 509 1HG ARG 62 HG2 ARG 62 12.035 2.458 -4.097 510 2HG ARG 62 HG1 ARG 62 11.061 3.836 -4.617 511 1HD ARG 62 HD2 ARG 62 11.813 5.047 -2.574 512 2HD ARG 62 HD1 ARG 62 12.894 3.703 -2.229 513 HE ARG 62 HE ARG 62 13.853 4.277 -4.535 514 1HH1 ARG 62 HH11 ARG 62 12.463 6.605 -2.349 515 2HH1 ARG 62 HH12 ARG 62 13.462 7.910 -2.894 516 1HH2 ARG 62 HH21 ARG 62 15.188 5.993 -5.248 517 2HH2 ARG 62 HH22 ARG 62 15.007 7.562 -4.542 518 H ARG 63 HN ARG 63 10.427 2.498 -5.631 519 HA ARG 63 HA ARG 63 8.398 3.990 -6.728 520 1HB ARG 63 HB2 ARG 63 10.399 2.238 -8.150 521 2HB ARG 63 HB1 ARG 63 9.369 3.404 -8.963 522 1HG ARG 63 HG2 ARG 63 10.381 5.166 -7.479 523 2HG ARG 63 HG1 ARG 63 11.549 3.946 -6.968 524 1HD ARG 63 HD2 ARG 63 11.080 4.807 -9.820 525 2HD ARG 63 HD1 ARG 63 12.385 5.397 -8.791 526 HE ARG 63 HE ARG 63 12.849 2.800 -8.682 527 1HH1 ARG 63 HH11 ARG 63 11.998 4.775 -11.424 528 2HH1 ARG 63 HH12 ARG 63 12.850 3.787 -12.562 529 1HH2 ARG 63 HH21 ARG 63 13.972 1.494 -10.173 530 2HH2 ARG 63 HH22 ARG 63 13.974 1.922 -11.851 531 H LYS 64 HN LYS 64 8.616 0.578 -6.325 532 HA LYS 64 HA LYS 64 6.591 -0.118 -8.250 533 1HB LYS 64 HB2 LYS 64 8.366 -1.695 -7.535 534 2HB LYS 64 HB1 LYS 64 7.671 -1.713 -5.917 535 1HG LYS 64 HG2 LYS 64 6.800 -3.631 -6.841 536 2HG LYS 64 HG1 LYS 64 5.511 -2.468 -7.156 537 1HD LYS 64 HD2 LYS 64 6.397 -2.124 -9.423 538 2HD LYS 64 HD1 LYS 64 7.652 -3.322 -9.103 539 1HE LYS 64 HE2 LYS 64 5.952 -4.444 -10.306 540 2HE LYS 64 HE1 LYS 64 5.798 -4.962 -8.627 541 1HZ LYS 64 HZ1 LYS 64 4.124 -2.946 -10.022 542 2HZ LYS 64 HZ2 LYS 64 4.029 -3.281 -8.367 543 3HZ LYS 64 HZ3 LYS 64 3.640 -4.480 -9.496 544 H LEU 65 HN LEU 65 6.735 0.342 -4.747 545 HA LEU 65 HA LEU 65 4.158 -0.451 -4.093 546 1HB LEU 65 HB2 LEU 65 6.199 1.312 -2.900 547 2HB LEU 65 HB1 LEU 65 4.554 1.556 -2.339 548 HG LEU 65 HG LEU 65 5.341 -1.249 -2.396 549 1HD1 LEU 65 HD11 LEU 65 6.928 0.729 -0.803 550 2HD1 LEU 65 HD12 LEU 65 7.497 -0.614 -1.798 551 3HD1 LEU 65 HD13 LEU 65 6.702 -0.932 -0.257 552 1HD2 LEU 65 HD21 LEU 65 4.420 -1.120 -0.089 553 2HD2 LEU 65 HD22 LEU 65 3.312 -0.551 -1.338 554 3HD2 LEU 65 HD23 LEU 65 4.180 0.611 -0.331 555 H LEU 66 HN LEU 66 5.294 2.387 -5.702 556 HA LEU 66 HA LEU 66 3.115 4.102 -5.246 557 1HB LEU 66 HB2 LEU 66 5.234 3.911 -7.342 558 2HB LEU 66 HB1 LEU 66 3.882 4.998 -7.599 559 HG LEU 66 HG LEU 66 5.271 5.204 -4.989 560 1HD1 LEU 66 HD11 LEU 66 6.562 5.759 -7.612 561 2HD1 LEU 66 HD12 LEU 66 7.265 5.161 -6.106 562 3HD1 LEU 66 HD13 LEU 66 6.846 6.866 -6.270 563 1HD2 LEU 66 HD21 LEU 66 4.839 7.586 -5.367 564 2HD2 LEU 66 HD22 LEU 66 3.370 6.625 -5.530 565 3HD2 LEU 66 HD23 LEU 66 4.202 7.213 -6.969 566 H LYS 67 HN LYS 67 3.454 1.269 -7.108 567 HA LYS 67 HA LYS 67 1.309 1.770 -8.944 568 1HB LYS 67 HB2 LYS 67 2.779 -0.730 -8.111 569 2HB LYS 67 HB1 LYS 67 1.430 -0.767 -9.229 570 1HG LYS 67 HG2 LYS 67 3.806 0.987 -9.725 571 2HG LYS 67 HG1 LYS 67 3.796 -0.714 -10.191 572 1HD LYS 67 HD2 LYS 67 1.798 1.367 -11.073 573 2HD LYS 67 HD1 LYS 67 3.118 0.725 -12.051 574 1HE LYS 67 HE2 LYS 67 0.918 -0.953 -10.870 575 2HE LYS 67 HE1 LYS 67 0.888 -0.305 -12.511 576 1HZ LYS 67 HZ1 LYS 67 1.686 -2.554 -12.545 577 2HZ LYS 67 HZ2 LYS 67 2.877 -2.208 -11.397 578 3HZ LYS 67 HZ3 LYS 67 2.968 -1.522 -12.940 579 H ALA 68 HN ALA 68 1.765 0.127 -5.879 580 HA ALA 68 HA ALA 68 -0.919 -0.837 -5.671 581 1HB ALA 68 HB1 ALA 68 -0.267 -1.235 -3.268 582 2HB ALA 68 HB2 ALA 68 1.313 -0.555 -3.664 583 3HB ALA 68 HB3 ALA 68 0.756 -2.021 -4.470 584 H PHE 69 HN PHE 69 0.727 2.106 -4.915 585 HA PHE 69 HA PHE 69 -1.043 3.147 -2.988 586 1HB PHE 69 HB2 PHE 69 0.857 4.467 -4.929 587 2HB PHE 69 HB1 PHE 69 -0.059 5.363 -3.732 588 HD1 PHE 69 HD1 PHE 69 0.563 2.454 -2.055 589 HD2 PHE 69 HD2 PHE 69 2.656 5.826 -3.599 590 HE1 PHE 69 HE1 PHE 69 2.352 2.098 -0.412 591 HE2 PHE 69 HE2 PHE 69 4.446 5.470 -1.952 592 HZ PHE 69 HZ PHE 69 4.293 3.607 -0.348 593 H GLY 70 HN GLY 70 -0.927 3.452 -6.527 594 1HA GLY 70 HA2 GLY 70 -3.123 5.278 -6.635 595 2HA GLY 70 HA1 GLY 70 -2.389 4.465 -8.003 596 H ILE 71 HN ILE 71 -2.855 1.818 -7.428 597 HA ILE 71 HA ILE 71 -5.448 1.441 -8.333 598 HB ILE 71 HB ILE 71 -3.805 -0.532 -6.744 599 1HG1 ILE 71 HG12 ILE 71 -3.985 -0.501 -9.730 600 2HG1 ILE 71 HG11 ILE 71 -2.895 0.631 -8.936 601 1HG2 ILE 71 HG21 ILE 71 -5.942 -1.088 -8.792 602 2HG2 ILE 71 HG22 ILE 71 -6.253 -1.036 -7.058 603 3HG2 ILE 71 HG23 ILE 71 -5.144 -2.239 -7.720 604 1HD1 ILE 71 HD11 ILE 71 -2.838 -2.339 -8.498 605 2HD1 ILE 71 HD12 ILE 71 -1.662 -1.144 -7.950 606 3HD1 ILE 71 HD13 ILE 71 -1.836 -1.486 -9.671 607 H VAL 72 HN VAL 72 -4.222 1.599 -5.038 608 HA VAL 72 HA VAL 72 -6.655 0.724 -3.799 609 HB VAL 72 HB VAL 72 -4.400 2.363 -2.626 610 1HG1 VAL 72 HG11 VAL 72 -5.275 1.775 -0.459 611 2HG1 VAL 72 HG12 VAL 72 -6.555 0.817 -1.187 612 3HG1 VAL 72 HG13 VAL 72 -6.540 2.564 -1.395 613 1HG2 VAL 72 HG21 VAL 72 -3.982 -0.037 -3.533 614 2HG2 VAL 72 HG22 VAL 72 -4.846 -0.542 -2.084 615 3HG2 VAL 72 HG23 VAL 72 -3.374 0.412 -1.942 616 H ILE 73 HN ILE 73 -5.181 3.854 -4.471 617 HA ILE 73 HA ILE 73 -7.006 5.540 -3.244 618 HB ILE 73 HB ILE 73 -5.214 5.862 -5.631 619 1HG1 ILE 73 HG12 ILE 73 -5.252 7.246 -2.946 620 2HG1 ILE 73 HG11 ILE 73 -4.314 5.800 -3.292 621 1HG2 ILE 73 HG21 ILE 73 -5.904 8.414 -5.116 622 2HG2 ILE 73 HG22 ILE 73 -7.434 7.595 -4.807 623 3HG2 ILE 73 HG23 ILE 73 -6.652 7.430 -6.376 624 1HD1 ILE 73 HD11 ILE 73 -3.969 8.236 -4.978 625 2HD1 ILE 73 HD12 ILE 73 -2.833 6.929 -4.640 626 3HD1 ILE 73 HD13 ILE 73 -3.192 8.127 -3.400 627 H ASP 74 HN ASP 74 -7.072 4.159 -6.473 628 HA ASP 74 HA ASP 74 -9.350 5.492 -7.439 629 1HB ASP 74 HB2 ASP 74 -7.789 4.324 -8.925 630 2HB ASP 74 HB1 ASP 74 -8.248 2.778 -8.216 631 H TYR 75 HN TYR 75 -9.126 2.090 -6.265 632 HA TYR 75 HA TYR 75 -11.878 1.629 -6.237 633 1HB TYR 75 HB2 TYR 75 -9.545 0.390 -4.856 634 2HB TYR 75 HB1 TYR 75 -11.143 0.029 -4.215 635 HD1 TYR 75 HD1 TYR 75 -11.243 0.668 -7.709 636 HD2 TYR 75 HD2 TYR 75 -10.377 -2.367 -4.868 637 HE1 TYR 75 HE1 TYR 75 -11.563 -1.033 -9.447 638 HE2 TYR 75 HE2 TYR 75 -10.686 -4.084 -6.600 639 HH TYR 75 HH TYR 75 -10.848 -3.358 -9.899 640 H LYS 76 HN LYS 76 -9.795 3.271 -4.013 641 HA LYS 76 HA LYS 76 -11.605 3.528 -1.850 642 1HB LYS 76 HB2 LYS 76 -9.180 3.951 -1.653 643 2HB LYS 76 HB1 LYS 76 -9.333 5.318 -2.739 644 1HG LYS 76 HG2 LYS 76 -11.140 6.004 -0.864 645 2HG LYS 76 HG1 LYS 76 -9.976 5.105 0.109 646 1HD LYS 76 HD2 LYS 76 -8.618 6.846 -1.726 647 2HD LYS 76 HD1 LYS 76 -9.777 7.759 -0.758 648 1HE LYS 76 HE2 LYS 76 -8.793 6.748 1.273 649 2HE LYS 76 HE1 LYS 76 -7.587 5.958 0.260 650 1HZ LYS 76 HZ1 LYS 76 -7.953 8.868 0.684 651 2HZ LYS 76 HZ2 LYS 76 -6.956 8.227 -0.521 652 3HZ LYS 76 HZ3 LYS 76 -6.614 7.923 1.106 653 H GLU 77 HN GLU 77 -10.868 5.400 -4.706 654 HA GLU 77 HA GLU 77 -12.631 7.568 -4.181 655 1HB GLU 77 HB2 GLU 77 -10.994 6.617 -6.499 656 2HB GLU 77 HB1 GLU 77 -12.180 7.881 -6.751 657 1HG GLU 77 HG2 GLU 77 -10.569 8.443 -4.436 658 2HG GLU 77 HG1 GLU 77 -9.562 8.159 -5.853 659 H ARG 78 HN ARG 78 -13.018 4.415 -5.497 660 HA ARG 78 HA ARG 78 -15.528 5.096 -6.832 661 1HB ARG 78 HB2 ARG 78 -13.897 2.561 -6.704 662 2HB ARG 78 HB1 ARG 78 -15.479 2.645 -7.460 663 1HG ARG 78 HG2 ARG 78 -14.627 4.327 -9.028 664 2HG ARG 78 HG1 ARG 78 -13.035 4.199 -8.279 665 1HD ARG 78 HD2 ARG 78 -12.961 1.818 -8.878 666 2HD ARG 78 HD1 ARG 78 -14.537 1.973 -9.654 667 HE ARG 78 HE ARG 78 -12.878 3.871 -10.803 668 1HH1 ARG 78 HH11 ARG 78 -13.047 0.400 -10.552 669 2HH1 ARG 78 HH12 ARG 78 -12.247 0.123 -12.063 670 1HH2 ARG 78 HH21 ARG 78 -11.824 3.516 -12.792 671 2HH2 ARG 78 HH22 ARG 78 -11.552 1.894 -13.336 672 H ASP 79 HN ASP 79 -14.767 4.712 -3.784 673 HA ASP 79 HA ASP 79 -15.835 4.051 -1.887 674 1HB ASP 79 HB2 ASP 79 -17.737 5.243 -3.044 675 2HB ASP 79 HB1 ASP 79 -18.271 3.675 -3.642 676 H LEU 80 HN LEU 80 -14.544 2.124 -3.700 677 HA LEU 80 HA LEU 80 -16.057 -0.320 -3.466 678 1HB LEU 80 HB2 LEU 80 -13.750 0.584 -4.938 679 2HB LEU 80 HB1 LEU 80 -13.403 -0.940 -4.152 680 HG LEU 80 HG LEU 80 -15.801 -1.535 -5.216 681 1HD1 LEU 80 HD11 LEU 80 -16.015 -0.581 -7.412 682 2HD1 LEU 80 HD12 LEU 80 -14.539 0.360 -7.186 683 3HD1 LEU 80 HD13 LEU 80 -15.975 0.725 -6.225 684 1HD2 LEU 80 HD21 LEU 80 -13.671 -2.757 -5.472 685 2HD2 LEU 80 HD22 LEU 80 -13.207 -1.609 -6.728 686 3HD2 LEU 80 HD23 LEU 80 -14.597 -2.665 -6.972 687 H ILE 81 HN ILE 81 -13.522 1.339 -1.772 688 HA ILE 81 HA ILE 81 -12.868 -0.939 -0.092 689 HB ILE 81 HB ILE 81 -11.969 1.946 0.044 690 1HG1 ILE 81 HG12 ILE 81 -10.497 -0.530 -0.884 691 2HG1 ILE 81 HG11 ILE 81 -11.206 0.674 -1.951 692 1HG2 ILE 81 HG21 ILE 81 -10.844 -0.431 1.531 693 2HG2 ILE 81 HG22 ILE 81 -11.937 0.755 2.247 694 3HG2 ILE 81 HG23 ILE 81 -10.342 1.253 1.677 695 1HD1 ILE 81 HD11 ILE 81 -8.939 1.081 -0.020 696 2HD1 ILE 81 HD12 ILE 81 -9.699 2.365 -0.959 697 3HD1 ILE 81 HD13 ILE 81 -8.851 1.056 -1.781 698 H ASP 82 HN ASP 82 -13.658 -1.312 1.908 699 HA ASP 82 HA ASP 82 -16.041 -0.111 2.752 700 1HB ASP 82 HB2 ASP 82 -14.918 -2.391 3.410 701 2HB ASP 82 HB1 ASP 82 -14.202 -1.438 4.705 702 H ARG 83 HN ARG 83 -16.478 1.626 3.968 703 HA ARG 83 HA ARG 83 -14.526 3.566 4.471 704 1HB ARG 83 HB2 ARG 83 -17.337 3.224 5.499 705 2HB ARG 83 HB1 ARG 83 -16.341 4.605 5.938 706 1HG ARG 83 HG2 ARG 83 -17.015 3.833 3.107 707 2HG ARG 83 HG1 ARG 83 -17.890 5.039 4.052 708 1HD ARG 83 HD2 ARG 83 -16.114 6.525 4.043 709 2HD ARG 83 HD1 ARG 83 -14.925 5.260 3.737 710 HE ARG 83 HE ARG 83 -15.623 5.236 1.444 711 1HH1 ARG 83 HH11 ARG 83 -16.918 7.847 3.355 712 2HH1 ARG 83 HH12 ARG 83 -17.284 8.840 1.983 713 1HH2 ARG 83 HH21 ARG 83 -16.098 6.537 -0.365 714 2HH2 ARG 83 HH22 ARG 83 -16.816 8.096 -0.130 715 H SER 84 HN SER 84 -15.226 0.730 6.140 716 HA SER 84 HA SER 84 -14.650 1.500 8.796 717 1HB SER 84 HB2 SER 84 -15.700 -0.665 8.209 718 2HB SER 84 HB1 SER 84 -14.186 -1.186 7.470 719 HG SER 84 HG SER 84 -13.206 -1.004 9.520 720 H ALA 85 HN ALA 85 -12.658 0.544 6.063 721 HA ALA 85 HA ALA 85 -10.197 0.342 7.449 722 1HB ALA 85 HB1 ALA 85 -9.174 0.587 5.196 723 2HB ALA 85 HB2 ALA 85 -10.778 0.924 4.543 724 3HB ALA 85 HB3 ALA 85 -10.430 -0.645 5.265 725 H TYR 86 HN TYR 86 -11.796 2.952 5.710 726 HA TYR 86 HA TYR 86 -9.915 4.918 5.629 727 1HB TYR 86 HB2 TYR 86 -12.854 5.133 6.276 728 2HB TYR 86 HB1 TYR 86 -11.835 6.541 6.026 729 HD1 TYR 86 HD1 TYR 86 -12.219 3.282 4.248 730 HD2 TYR 86 HD2 TYR 86 -12.256 7.520 3.989 731 HE1 TYR 86 HE1 TYR 86 -12.634 3.119 1.831 732 HE2 TYR 86 HE2 TYR 86 -12.668 7.376 1.569 733 HH TYR 86 HH TYR 86 -13.576 4.482 0.032 Start of MODEL 4 1 1H SER 1 HT1 SER 1 7.722 -15.039 -4.769 2 2H SER 1 HT2 SER 1 7.931 -13.613 -3.882 3 3H SER 1 HT3 SER 1 9.246 -14.308 -4.687 4 HA SER 1 HA SER 1 8.412 -12.377 -5.868 5 1HB SER 1 HB2 SER 1 7.912 -15.013 -7.277 6 2HB SER 1 HB1 SER 1 8.162 -13.461 -8.075 7 HG SER 1 HG SER 1 10.244 -13.533 -7.607 8 H ASN 2 HN ASN 2 6.218 -13.144 -4.066 9 HA ASN 2 HA ASN 2 3.872 -13.195 -5.782 10 1HB ASN 2 HB2 ASN 2 4.192 -14.424 -3.497 11 2HB ASN 2 HB1 ASN 2 3.774 -12.863 -2.800 12 1HD2 ASN 2 HD21 ASN 2 1.988 -12.228 -5.066 13 2HD2 ASN 2 HD22 ASN 2 0.560 -13.159 -4.798 14 H SER 3 HN SER 3 5.128 -10.975 -6.436 15 HA SER 3 HA SER 3 3.655 -8.834 -5.049 16 1HB SER 3 HB2 SER 3 5.516 -7.304 -5.671 17 2HB SER 3 HB1 SER 3 6.031 -8.595 -4.585 18 HG SER 3 HG SER 3 7.128 -9.536 -6.188 19 H SER 4 HN SER 4 1.938 -9.224 -6.578 20 HA SER 4 HA SER 4 2.515 -8.086 -9.234 21 1HB SER 4 HB2 SER 4 0.442 -10.177 -8.541 22 2HB SER 4 HB1 SER 4 0.692 -9.472 -10.137 23 HG SER 4 HG SER 4 1.781 -11.440 -9.989 24 H MET 5 HN MET 5 1.335 -7.188 -6.443 25 HA MET 5 HA MET 5 -0.164 -5.649 -5.700 26 1HB MET 5 HB2 MET 5 0.226 -4.924 -8.559 27 2HB MET 5 HB1 MET 5 -1.086 -4.146 -7.684 28 1HG MET 5 HG2 MET 5 0.932 -2.801 -7.635 29 2HG MET 5 HG1 MET 5 0.480 -3.334 -6.017 30 1HE MET 5 HE1 MET 5 4.207 -3.324 -5.474 31 2HE MET 5 HE2 MET 5 2.665 -2.480 -5.319 32 3HE MET 5 HE3 MET 5 3.637 -2.278 -6.775 33 H ASN 6 HN ASN 6 -1.709 -7.269 -5.100 34 HA ASN 6 HA ASN 6 -3.784 -8.046 -6.951 35 1HB ASN 6 HB2 ASN 6 -3.570 -8.458 -3.956 36 2HB ASN 6 HB1 ASN 6 -4.753 -9.222 -5.012 37 1HD2 ASN 6 HD21 ASN 6 -4.106 -10.851 -6.411 38 2HD2 ASN 6 HD22 ASN 6 -2.592 -11.663 -6.237 39 HA PRO 7 HA PRO 7 -5.908 -4.117 -6.092 40 1HB PRO 7 HB2 PRO 7 -7.930 -5.302 -7.901 41 2HB PRO 7 HB1 PRO 7 -7.102 -3.746 -8.004 42 1HG PRO 7 HG2 PRO 7 -6.484 -5.738 -9.666 43 2HG PRO 7 HG1 PRO 7 -5.232 -4.654 -9.026 44 1HD PRO 7 HD2 PRO 7 -5.946 -7.437 -8.176 45 2HD PRO 7 HD1 PRO 7 -4.347 -6.700 -8.379 46 H LYS 8 HN LYS 8 -7.000 -7.351 -5.616 47 HA LYS 8 HA LYS 8 -9.504 -6.610 -4.412 48 1HB LYS 8 HB2 LYS 8 -8.023 -9.243 -4.280 49 2HB LYS 8 HB1 LYS 8 -9.701 -8.975 -3.829 50 1HG LYS 8 HG2 LYS 8 -9.973 -9.841 -5.919 51 2HG LYS 8 HG1 LYS 8 -9.895 -8.120 -6.304 52 1HD LYS 8 HD2 LYS 8 -7.258 -8.822 -6.357 53 2HD LYS 8 HD1 LYS 8 -8.031 -10.290 -6.959 54 1HE LYS 8 HE2 LYS 8 -9.314 -8.792 -8.551 55 2HE LYS 8 HE1 LYS 8 -8.207 -7.503 -8.076 56 1HZ LYS 8 HZ1 LYS 8 -7.459 -10.082 -9.344 57 2HZ LYS 8 HZ2 LYS 8 -6.359 -8.912 -8.814 58 3HZ LYS 8 HZ3 LYS 8 -7.429 -8.555 -10.075 59 H SER 9 HN SER 9 -6.369 -7.772 -3.224 60 HA SER 9 HA SER 9 -7.138 -7.503 -0.479 61 1HB SER 9 HB2 SER 9 -4.442 -7.980 -1.762 62 2HB SER 9 HB1 SER 9 -4.735 -8.018 -0.024 63 HG SER 9 HG SER 9 -5.137 -10.051 -0.421 64 H LEU 10 HN LEU 10 -5.165 -5.613 -2.721 65 HA LEU 10 HA LEU 10 -4.177 -3.754 -0.903 66 1HB LEU 10 HB2 LEU 10 -4.926 -3.275 -3.786 67 2HB LEU 10 HB1 LEU 10 -3.851 -2.281 -2.823 68 HG LEU 10 HG LEU 10 -3.320 -5.162 -3.537 69 1HD1 LEU 10 HD11 LEU 10 -3.333 -3.463 -5.438 70 2HD1 LEU 10 HD12 LEU 10 -1.885 -4.442 -5.224 71 3HD1 LEU 10 HD13 LEU 10 -1.908 -2.771 -4.663 72 1HD2 LEU 10 HD21 LEU 10 -2.216 -3.474 -1.569 73 2HD2 LEU 10 HD22 LEU 10 -1.009 -3.660 -2.840 74 3HD2 LEU 10 HD23 LEU 10 -1.687 -5.084 -2.050 75 H THR 11 HN THR 11 -7.390 -4.254 -1.908 76 HA THR 11 HA THR 11 -8.106 -1.590 -0.829 77 HB THR 11 HB THR 11 -10.169 -1.710 -2.241 78 HG1 THR 11 HG1 THR 11 -10.374 -3.763 -2.909 79 1HG2 THR 11 HG21 THR 11 -7.551 -1.679 -3.712 80 2HG2 THR 11 HG22 THR 11 -8.279 -0.318 -2.880 81 3HG2 THR 11 HG23 THR 11 -9.057 -1.010 -4.298 82 H ASP 12 HN ASP 12 -7.843 -4.283 0.449 83 HA ASP 12 HA ASP 12 -10.604 -4.584 1.408 84 1HB ASP 12 HB2 ASP 12 -9.433 -6.612 0.383 85 2HB ASP 12 HB1 ASP 12 -8.370 -6.581 1.787 86 HA PRO 13 HA PRO 13 -9.111 -2.208 4.889 87 1HB PRO 13 HB2 PRO 13 -11.381 -3.747 6.114 88 2HB PRO 13 HB1 PRO 13 -10.942 -2.046 6.322 89 1HG PRO 13 HG2 PRO 13 -12.904 -2.680 4.684 90 2HG PRO 13 HG1 PRO 13 -11.711 -1.450 4.203 91 1HD PRO 13 HD2 PRO 13 -11.989 -4.289 3.299 92 2HD PRO 13 HD1 PRO 13 -11.465 -2.862 2.388 93 H LYS 14 HN LYS 14 -9.439 -5.684 4.793 94 HA LYS 14 HA LYS 14 -8.470 -6.271 7.374 95 1HB LYS 14 HB2 LYS 14 -9.354 -7.794 5.307 96 2HB LYS 14 HB1 LYS 14 -7.624 -8.089 5.204 97 1HG LYS 14 HG2 LYS 14 -9.378 -8.549 7.606 98 2HG LYS 14 HG1 LYS 14 -8.677 -9.783 6.559 99 1HD LYS 14 HD2 LYS 14 -7.061 -7.814 8.180 100 2HD LYS 14 HD1 LYS 14 -7.460 -9.448 8.716 101 1HE LYS 14 HE2 LYS 14 -6.353 -10.295 6.629 102 2HE LYS 14 HE1 LYS 14 -5.804 -8.646 6.332 103 1HZ LYS 14 HZ1 LYS 14 -4.580 -8.682 8.382 104 2HZ LYS 14 HZ2 LYS 14 -4.133 -10.027 7.460 105 3HZ LYS 14 HZ3 LYS 14 -5.180 -10.215 8.774 106 H LEU 15 HN LEU 15 -6.795 -5.931 4.274 107 HA LEU 15 HA LEU 15 -4.180 -6.119 5.443 108 1HB LEU 15 HB2 LEU 15 -5.122 -5.273 2.707 109 2HB LEU 15 HB1 LEU 15 -3.446 -5.403 3.151 110 HG LEU 15 HG LEU 15 -4.032 -7.351 1.915 111 1HD1 LEU 15 HD11 LEU 15 -4.087 -8.894 4.259 112 2HD1 LEU 15 HD12 LEU 15 -3.188 -7.421 4.636 113 3HD1 LEU 15 HD13 LEU 15 -2.685 -8.444 3.285 114 1HD2 LEU 15 HD21 LEU 15 -5.823 -8.847 2.525 115 2HD2 LEU 15 HD22 LEU 15 -6.469 -7.225 2.281 116 3HD2 LEU 15 HD23 LEU 15 -6.232 -7.843 3.916 117 H LEU 16 HN LEU 16 -6.319 -3.590 4.330 118 HA LEU 16 HA LEU 16 -4.500 -1.457 4.386 119 1HB LEU 16 HB2 LEU 16 -7.476 -1.309 4.883 120 2HB LEU 16 HB1 LEU 16 -6.443 -0.062 4.219 121 HG LEU 16 HG LEU 16 -6.871 -2.688 2.829 122 1HD1 LEU 16 HD11 LEU 16 -8.681 -1.884 1.672 123 2HD1 LEU 16 HD12 LEU 16 -8.282 -0.202 1.996 124 3HD1 LEU 16 HD13 LEU 16 -8.974 -1.202 3.270 125 1HD2 LEU 16 HD21 LEU 16 -5.136 -0.504 2.419 126 2HD2 LEU 16 HD22 LEU 16 -6.347 -0.451 1.140 127 3HD2 LEU 16 HD23 LEU 16 -5.388 -1.908 1.382 128 H LYS 17 HN LYS 17 -6.468 -2.907 6.931 129 HA LYS 17 HA LYS 17 -5.734 -0.860 8.832 130 1HB LYS 17 HB2 LYS 17 -7.136 -3.517 9.209 131 2HB LYS 17 HB1 LYS 17 -6.914 -2.309 10.467 132 1HG LYS 17 HG2 LYS 17 -8.309 -0.760 9.316 133 2HG LYS 17 HG1 LYS 17 -8.385 -1.800 7.898 134 1HD LYS 17 HD2 LYS 17 -9.582 -3.488 9.163 135 2HD LYS 17 HD1 LYS 17 -9.452 -2.512 10.628 136 1HE LYS 17 HE2 LYS 17 -10.769 -0.754 9.572 137 2HE LYS 17 HE1 LYS 17 -10.898 -1.717 8.103 138 1HZ LYS 17 HZ1 LYS 17 -11.986 -2.437 10.772 139 2HZ LYS 17 HZ2 LYS 17 -12.063 -3.419 9.398 140 3HZ LYS 17 HZ3 LYS 17 -12.885 -1.941 9.427 141 H ASN 18 HN ASN 18 -4.580 -3.842 7.649 142 HA ASN 18 HA ASN 18 -2.459 -3.926 9.699 143 1HB ASN 18 HB2 ASN 18 -4.186 -5.934 9.259 144 2HB ASN 18 HB1 ASN 18 -3.048 -6.292 7.974 145 1HD2 ASN 18 HD21 ASN 18 -2.628 -8.258 9.080 146 2HD2 ASN 18 HD22 ASN 18 -1.541 -8.288 10.421 147 H ILE 19 HN ILE 19 -1.722 -2.169 8.100 148 HA ILE 19 HA ILE 19 -1.004 -2.446 5.524 149 HB ILE 19 HB ILE 19 0.639 -1.177 7.692 150 1HG1 ILE 19 HG12 ILE 19 -1.212 0.168 7.606 151 2HG1 ILE 19 HG11 ILE 19 -0.315 0.887 6.284 152 1HG2 ILE 19 HG21 ILE 19 0.932 -0.828 4.713 153 2HG2 ILE 19 HG22 ILE 19 2.013 -1.777 5.735 154 3HG2 ILE 19 HG23 ILE 19 1.879 -0.033 5.970 155 1HD1 ILE 19 HD11 ILE 19 -2.606 -1.048 6.110 156 2HD1 ILE 19 HD12 ILE 19 -1.652 -0.531 4.729 157 3HD1 ILE 19 HD13 ILE 19 -2.590 0.647 5.635 158 HA PRO 20 HA PRO 20 3.235 -4.709 6.760 159 1HB PRO 20 HB2 PRO 20 1.819 -6.374 8.822 160 2HB PRO 20 HB1 PRO 20 3.532 -5.925 8.732 161 1HG PRO 20 HG2 PRO 20 1.918 -4.666 10.413 162 2HG PRO 20 HG1 PRO 20 3.141 -3.763 9.505 163 1HD PRO 20 HD2 PRO 20 0.191 -3.881 9.115 164 2HD PRO 20 HD1 PRO 20 1.320 -2.546 8.807 165 H MET 21 HN MET 21 0.133 -6.251 7.440 166 HA MET 21 HA MET 21 0.486 -8.598 5.923 167 1HB MET 21 HB2 MET 21 -1.244 -7.895 7.755 168 2HB MET 21 HB1 MET 21 -2.181 -7.292 6.395 169 1HG MET 21 HG2 MET 21 -3.071 -9.325 6.383 170 2HG MET 21 HG1 MET 21 -1.592 -9.799 5.548 171 1HE MET 21 HE1 MET 21 0.534 -11.381 8.392 172 2HE MET 21 HE2 MET 21 0.624 -9.760 7.704 173 3HE MET 21 HE3 MET 21 0.370 -11.151 6.652 174 H TRP 22 HN TRP 22 -0.939 -5.437 5.200 175 HA TRP 22 HA TRP 22 -1.869 -5.853 2.636 176 1HB TRP 22 HB2 TRP 22 -2.137 -3.786 3.999 177 2HB TRP 22 HB1 TRP 22 -0.461 -3.383 3.688 178 HD1 TRP 22 HD1 TRP 22 -3.825 -3.702 1.826 179 HE1 TRP 22 HE1 TRP 22 -3.722 -2.189 -0.252 180 HE3 TRP 22 HE3 TRP 22 1.069 -2.248 2.134 181 HZ2 TRP 22 HZ2 TRP 22 -1.814 -0.608 -1.599 182 HZ3 TRP 22 HZ3 TRP 22 1.958 -0.741 0.397 183 HH2 TRP 22 HH2 TRP 22 0.544 0.066 -1.423 184 H LEU 23 HN LEU 23 1.389 -5.259 3.799 185 HA LEU 23 HA LEU 23 2.600 -5.118 1.214 186 1HB LEU 23 HB2 LEU 23 3.671 -5.429 4.013 187 2HB LEU 23 HB1 LEU 23 4.704 -5.386 2.603 188 HG LEU 23 HG LEU 23 2.814 -3.165 3.371 189 1HD1 LEU 23 HD11 LEU 23 5.083 -2.021 3.877 190 2HD1 LEU 23 HD12 LEU 23 5.670 -3.673 4.085 191 3HD1 LEU 23 HD13 LEU 23 4.345 -3.072 5.084 192 1HD2 LEU 23 HD21 LEU 23 3.995 -1.851 1.749 193 2HD2 LEU 23 HD22 LEU 23 3.427 -3.328 0.973 194 3HD2 LEU 23 HD23 LEU 23 5.120 -3.169 1.435 195 H LYS 24 HN LYS 24 1.801 -7.664 3.494 196 HA LYS 24 HA LYS 24 3.502 -9.687 2.766 197 1HB LYS 24 HB2 LYS 24 1.030 -9.344 4.142 198 2HB LYS 24 HB1 LYS 24 0.869 -10.720 3.083 199 1HG LYS 24 HG2 LYS 24 1.562 -11.189 5.399 200 2HG LYS 24 HG1 LYS 24 2.602 -11.874 4.161 201 1HD LYS 24 HD2 LYS 24 4.147 -11.021 5.602 202 2HD LYS 24 HD1 LYS 24 3.924 -9.640 4.540 203 1HE LYS 24 HE2 LYS 24 2.254 -8.745 6.132 204 2HE LYS 24 HE1 LYS 24 2.630 -10.079 7.221 205 1HZ LYS 24 HZ1 LYS 24 4.475 -7.929 6.343 206 2HZ LYS 24 HZ2 LYS 24 4.954 -9.276 7.246 207 3HZ LYS 24 HZ3 LYS 24 3.857 -8.167 7.900 208 H SER 25 HN SER 25 0.439 -8.702 1.276 209 HA SER 25 HA SER 25 0.516 -10.706 -0.761 210 1HB SER 25 HB2 SER 25 -1.139 -8.183 -0.472 211 2HB SER 25 HB1 SER 25 -1.349 -9.353 -1.777 212 HG SER 25 HG SER 25 -2.218 -10.741 -0.414 213 H LEU 26 HN LEU 26 2.248 -7.906 -0.287 214 HA LEU 26 HA LEU 26 2.747 -7.547 -3.169 215 1HB LEU 26 HB2 LEU 26 3.376 -5.629 -0.925 216 2HB LEU 26 HB1 LEU 26 3.549 -5.323 -2.642 217 HG LEU 26 HG LEU 26 0.927 -5.809 -1.236 218 1HD1 LEU 26 HD11 LEU 26 0.520 -3.433 -1.548 219 2HD1 LEU 26 HD12 LEU 26 2.120 -3.233 -2.261 220 3HD1 LEU 26 HD13 LEU 26 1.960 -3.690 -0.565 221 1HD2 LEU 26 HD21 LEU 26 0.465 -4.544 -3.644 222 2HD2 LEU 26 HD22 LEU 26 0.205 -6.253 -3.295 223 3HD2 LEU 26 HD23 LEU 26 1.720 -5.723 -4.029 224 H ARG 27 HN ARG 27 3.941 -9.064 -0.542 225 HA ARG 27 HA ARG 27 5.920 -10.039 -0.020 226 1HB ARG 27 HB2 ARG 27 6.359 -9.282 -2.871 227 2HB ARG 27 HB1 ARG 27 7.747 -9.800 -1.924 228 1HG ARG 27 HG2 ARG 27 5.215 -11.397 -2.234 229 2HG ARG 27 HG1 ARG 27 6.667 -11.617 -3.214 230 1HD ARG 27 HD2 ARG 27 6.596 -11.830 -0.209 231 2HD ARG 27 HD1 ARG 27 6.471 -13.209 -1.303 232 HE ARG 27 HE ARG 27 8.777 -11.731 -1.933 233 1HH1 ARG 27 HH11 ARG 27 7.515 -13.806 0.564 234 2HH1 ARG 27 HH12 ARG 27 9.075 -14.370 1.062 235 1HH2 ARG 27 HH21 ARG 27 10.834 -12.467 -1.285 236 2HH2 ARG 27 HH22 ARG 27 10.962 -13.608 0.011 237 H LEU 28 HN LEU 28 5.446 -6.869 -0.138 238 HA LEU 28 HA LEU 28 8.211 -6.042 0.399 239 1HB LEU 28 HB2 LEU 28 5.649 -4.448 0.207 240 2HB LEU 28 HB1 LEU 28 7.231 -3.750 0.487 241 HG LEU 28 HG LEU 28 6.822 -5.455 -1.932 242 1HD1 LEU 28 HD11 LEU 28 6.305 -3.002 -2.926 243 2HD1 LEU 28 HD12 LEU 28 5.455 -2.922 -1.380 244 3HD1 LEU 28 HD13 LEU 28 5.071 -4.198 -2.534 245 1HD2 LEU 28 HD21 LEU 28 9.036 -4.482 -1.210 246 2HD2 LEU 28 HD22 LEU 28 8.372 -2.893 -1.600 247 3HD2 LEU 28 HD23 LEU 28 8.530 -4.120 -2.859 248 H HIS 29 HN HIS 29 6.444 -7.755 2.178 249 HA HIS 29 HA HIS 29 5.826 -6.285 4.493 250 1HB HIS 29 HB2 HIS 29 6.072 -8.463 5.678 251 2HB HIS 29 HB1 HIS 29 5.052 -8.560 4.249 252 HD1 HIS 29 HD1 HIS 29 5.948 -9.896 2.226 253 HD2 HIS 29 HD2 HIS 29 8.450 -9.946 5.542 254 HE1 HIS 29 HE1 HIS 29 7.623 -11.712 1.772 255 HE2 HIS 29 HE2 HIS 29 9.180 -11.668 3.755 256 H LYS 30 HN LYS 30 8.676 -7.062 2.930 257 HA LYS 30 HA LYS 30 10.620 -7.222 4.897 258 1HB LYS 30 HB2 LYS 30 11.992 -5.982 3.054 259 2HB LYS 30 HB1 LYS 30 11.369 -7.579 2.702 260 1HG LYS 30 HG2 LYS 30 9.357 -5.876 1.895 261 2HG LYS 30 HG1 LYS 30 10.832 -5.026 1.462 262 1HD LYS 30 HD2 LYS 30 10.833 -7.890 0.829 263 2HD LYS 30 HD1 LYS 30 9.662 -6.922 -0.073 264 1HE LYS 30 HE2 LYS 30 11.443 -5.371 -0.675 265 2HE LYS 30 HE1 LYS 30 12.610 -6.387 0.163 266 1HZ LYS 30 HZ1 LYS 30 10.977 -7.185 -2.190 267 2HZ LYS 30 HZ2 LYS 30 12.063 -8.190 -1.373 268 3HZ LYS 30 HZ3 LYS 30 12.631 -6.832 -2.205 269 H TYR 31 HN TYR 31 8.974 -4.529 3.439 270 HA TYR 31 HA TYR 31 10.247 -2.623 5.256 271 1HB TYR 31 HB2 TYR 31 8.567 -2.193 2.783 272 2HB TYR 31 HB1 TYR 31 9.331 -0.921 3.733 273 HD1 TYR 31 HD1 TYR 31 9.638 -2.602 0.804 274 HD2 TYR 31 HD2 TYR 31 11.983 -1.644 4.219 275 HE1 TYR 31 HE1 TYR 31 11.691 -2.915 -0.519 276 HE2 TYR 31 HE2 TYR 31 14.039 -1.939 2.903 277 HH TYR 31 HH TYR 31 14.041 -2.173 -0.474 278 H SER 32 HN SER 32 8.146 -4.565 6.011 279 HA SER 32 HA SER 32 5.675 -3.241 6.295 280 1HB SER 32 HB2 SER 32 5.130 -4.967 7.944 281 2HB SER 32 HB1 SER 32 5.914 -5.690 6.539 282 HG SER 32 HG SER 32 7.121 -6.540 8.060 283 H ASP 33 HN ASP 33 8.437 -3.602 8.483 284 HA ASP 33 HA ASP 33 7.372 -2.215 10.650 285 1HB ASP 33 HB2 ASP 33 10.217 -2.569 9.703 286 2HB ASP 33 HB1 ASP 33 9.781 -1.879 11.252 287 H ALA 34 HN ALA 34 9.073 -1.088 7.776 288 HA ALA 34 HA ALA 34 9.254 1.633 8.676 289 1HB ALA 34 HB1 ALA 34 10.339 2.094 6.653 290 2HB ALA 34 HB2 ALA 34 9.608 0.709 5.845 291 3HB ALA 34 HB3 ALA 34 10.845 0.459 7.079 292 H LEU 35 HN LEU 35 6.941 -0.246 6.930 293 HA LEU 35 HA LEU 35 5.536 2.193 6.094 294 1HB LEU 35 HB2 LEU 35 5.666 -0.588 5.060 295 2HB LEU 35 HB1 LEU 35 4.177 0.299 4.822 296 HG LEU 35 HG LEU 35 5.047 1.604 3.212 297 1HD1 LEU 35 HD11 LEU 35 7.400 2.405 3.125 298 2HD1 LEU 35 HD12 LEU 35 7.692 1.603 4.665 299 3HD1 LEU 35 HD13 LEU 35 6.515 2.909 4.561 300 1HD2 LEU 35 HD21 LEU 35 5.508 -0.453 2.226 301 2HD2 LEU 35 HD22 LEU 35 6.878 -0.787 3.291 302 3HD2 LEU 35 HD23 LEU 35 7.013 0.444 2.026 303 H SER 36 HN SER 36 5.454 -0.075 8.544 304 HA SER 36 HA SER 36 2.641 -0.474 8.753 305 1HB SER 36 HB2 SER 36 4.207 -2.048 9.797 306 2HB SER 36 HB1 SER 36 4.802 -0.771 10.856 307 HG SER 36 HG SER 36 2.060 -1.299 10.843 308 H GLY 37 HN GLY 37 4.948 1.711 10.330 309 1HA GLY 37 HA2 GLY 37 3.219 2.932 12.141 310 2HA GLY 37 HA1 GLY 37 4.634 3.699 11.433 311 H THR 38 HN THR 38 3.097 3.001 8.773 312 HA THR 38 HA THR 38 1.480 5.454 8.803 313 HB THR 38 HB THR 38 2.899 4.186 6.443 314 HG1 THR 38 HG1 THR 38 4.364 5.176 7.870 315 1HG2 THR 38 HG21 THR 38 0.703 5.632 6.195 316 2HG2 THR 38 HG22 THR 38 2.074 5.870 5.108 317 3HG2 THR 38 HG23 THR 38 1.821 6.971 6.463 318 HA PRO 39 HA PRO 39 -1.993 2.752 7.938 319 1HB PRO 39 HB2 PRO 39 -3.801 4.640 7.290 320 2HB PRO 39 HB1 PRO 39 -3.273 4.393 8.957 321 1HG PRO 39 HG2 PRO 39 -2.288 6.385 6.953 322 2HG PRO 39 HG1 PRO 39 -2.791 6.670 8.628 323 1HD PRO 39 HD2 PRO 39 -0.207 6.452 7.986 324 2HD PRO 39 HD1 PRO 39 -0.833 5.752 9.496 325 H TRP 40 HN TRP 40 -3.640 2.526 6.043 326 HA TRP 40 HA TRP 40 -2.156 2.436 3.627 327 1HB TRP 40 HB2 TRP 40 -4.188 1.655 2.553 328 2HB TRP 40 HB1 TRP 40 -3.977 0.836 4.088 329 HD1 TRP 40 HD1 TRP 40 -5.661 1.655 6.123 330 HE1 TRP 40 HE1 TRP 40 -8.071 2.557 5.981 331 HE3 TRP 40 HE3 TRP 40 -5.756 3.012 1.182 332 HZ2 TRP 40 HZ2 TRP 40 -9.762 3.718 4.064 333 HZ3 TRP 40 HZ3 TRP 40 -7.812 4.034 0.287 334 HH2 TRP 40 HH2 TRP 40 -9.773 4.367 1.697 335 H ILE 41 HN ILE 41 -4.856 4.476 4.713 336 HA ILE 41 HA ILE 41 -5.265 5.996 2.465 337 HB ILE 41 HB ILE 41 -6.498 6.100 4.701 338 1HG1 ILE 41 HG12 ILE 41 -6.341 8.893 4.077 339 2HG1 ILE 41 HG11 ILE 41 -6.209 7.966 2.582 340 1HG2 ILE 41 HG21 ILE 41 -4.648 8.369 5.328 341 2HG2 ILE 41 HG22 ILE 41 -4.306 6.736 5.898 342 3HG2 ILE 41 HG23 ILE 41 -5.797 7.546 6.383 343 1HD1 ILE 41 HD11 ILE 41 -8.401 7.648 4.621 344 2HD1 ILE 41 HD12 ILE 41 -8.286 6.839 3.056 345 3HD1 ILE 41 HD13 ILE 41 -8.521 8.587 3.133 346 H GLU 42 HN GLU 42 -2.568 6.081 4.649 347 HA GLU 42 HA GLU 42 -1.564 8.537 3.406 348 1HB GLU 42 HB2 GLU 42 -0.717 6.996 5.854 349 2HB GLU 42 HB1 GLU 42 0.269 8.277 5.166 350 1HG GLU 42 HG2 GLU 42 -1.705 9.801 5.422 351 2HG GLU 42 HG1 GLU 42 -2.493 8.507 6.325 352 H LEU 43 HN LEU 43 -0.926 5.136 3.806 353 HA LEU 43 HA LEU 43 1.603 4.894 2.668 354 1HB LEU 43 HB2 LEU 43 -0.520 3.195 3.439 355 2HB LEU 43 HB1 LEU 43 -0.103 2.755 1.799 356 HG LEU 43 HG LEU 43 1.103 1.339 3.320 357 1HD1 LEU 43 HD11 LEU 43 3.469 1.969 2.725 358 2HD1 LEU 43 HD12 LEU 43 2.798 3.409 1.960 359 3HD1 LEU 43 HD13 LEU 43 2.346 1.808 1.378 360 1HD2 LEU 43 HD21 LEU 43 1.839 2.018 5.292 361 2HD2 LEU 43 HD22 LEU 43 1.212 3.626 4.933 362 3HD2 LEU 43 HD23 LEU 43 2.883 3.222 4.536 363 H ILE 44 HN ILE 44 -1.523 4.357 1.148 364 HA ILE 44 HA ILE 44 -0.729 4.241 -1.492 365 HB ILE 44 HB ILE 44 -3.051 4.629 -2.050 366 1HG1 ILE 44 HG12 ILE 44 -3.509 5.333 0.851 367 2HG1 ILE 44 HG11 ILE 44 -3.315 6.547 -0.395 368 1HG2 ILE 44 HG21 ILE 44 -4.073 2.982 -0.389 369 2HG2 ILE 44 HG22 ILE 44 -2.497 2.976 0.398 370 3HG2 ILE 44 HG23 ILE 44 -2.650 2.448 -1.279 371 1HD1 ILE 44 HD11 ILE 44 -5.681 5.783 0.368 372 2HD1 ILE 44 HD12 ILE 44 -5.382 4.432 -0.728 373 3HD1 ILE 44 HD13 ILE 44 -5.355 6.086 -1.336 374 H TYR 45 HN TYR 45 -0.793 6.910 0.601 375 HA TYR 45 HA TYR 45 -0.949 8.828 -1.609 376 1HB TYR 45 HB2 TYR 45 -1.373 9.008 1.334 377 2HB TYR 45 HB1 TYR 45 -0.802 10.446 0.497 378 HD1 TYR 45 HD1 TYR 45 -3.008 8.120 -1.293 379 HD2 TYR 45 HD2 TYR 45 -2.851 11.625 1.129 380 HE1 TYR 45 HE1 TYR 45 -5.328 8.659 -1.923 381 HE2 TYR 45 HE2 TYR 45 -5.162 12.170 0.496 382 HH TYR 45 HH TYR 45 -7.229 9.977 -0.992 383 H LEU 46 HN LEU 46 1.369 7.202 0.251 384 HA LEU 46 HA LEU 46 3.372 9.169 0.490 385 1HB LEU 46 HB2 LEU 46 3.781 6.209 0.055 386 2HB LEU 46 HB1 LEU 46 4.951 7.330 0.694 387 HG LEU 46 HG LEU 46 2.464 6.335 2.053 388 1HD1 LEU 46 HD11 LEU 46 4.139 5.608 3.746 389 2HD1 LEU 46 HD12 LEU 46 5.417 6.109 2.633 390 3HD1 LEU 46 HD13 LEU 46 4.307 4.810 2.182 391 1HD2 LEU 46 HD21 LEU 46 4.093 8.753 2.563 392 2HD2 LEU 46 HD22 LEU 46 3.652 7.771 3.959 393 3HD2 LEU 46 HD23 LEU 46 2.394 8.434 2.915 394 H ASP 47 HN ASP 47 5.587 8.071 -0.738 395 HA ASP 47 HA ASP 47 5.119 7.806 -3.567 396 1HB ASP 47 HB2 ASP 47 6.879 9.777 -3.842 397 2HB ASP 47 HB1 ASP 47 5.150 10.090 -3.799 398 H ASP 48 HN ASP 48 7.299 7.717 -4.715 399 HA ASP 48 HA ASP 48 8.841 5.646 -3.793 400 1HB ASP 48 HB2 ASP 48 9.298 6.111 -6.000 401 2HB ASP 48 HB1 ASP 48 9.283 7.852 -5.748 402 H GLU 49 HN GLU 49 9.494 9.102 -3.463 403 HA GLU 49 HA GLU 49 11.876 8.948 -2.034 404 1HB GLU 49 HB2 GLU 49 11.068 11.046 -2.956 405 2HB GLU 49 HB1 GLU 49 9.712 11.039 -1.838 406 1HG GLU 49 HG2 GLU 49 11.283 11.211 0.053 407 2HG GLU 49 HG1 GLU 49 12.621 11.267 -1.098 408 H THR 50 HN THR 50 8.638 9.533 -0.623 409 HA THR 50 HA THR 50 9.307 9.474 2.031 410 HB THR 50 HB THR 50 6.783 8.333 0.824 411 HG1 THR 50 HG1 THR 50 6.040 10.381 0.857 412 1HG2 THR 50 HG21 THR 50 7.108 7.651 3.151 413 2HG2 THR 50 HG22 THR 50 5.788 8.816 3.012 414 3HG2 THR 50 HG23 THR 50 7.362 9.335 3.614 415 H LEU 51 HN LEU 51 8.372 6.687 0.036 416 HA LEU 51 HA LEU 51 8.453 4.686 1.930 417 1HB LEU 51 HB2 LEU 51 9.168 4.742 -0.987 418 2HB LEU 51 HB1 LEU 51 9.253 3.256 -0.064 419 HG LEU 51 HG LEU 51 6.745 4.913 -0.246 420 1HD1 LEU 51 HD11 LEU 51 5.967 3.420 -1.965 421 2HD1 LEU 51 HD12 LEU 51 7.479 2.515 -1.909 422 3HD1 LEU 51 HD13 LEU 51 7.470 4.180 -2.488 423 1HD2 LEU 51 HD21 LEU 51 7.352 2.104 0.653 424 2HD2 LEU 51 HD22 LEU 51 5.721 2.710 0.371 425 3HD2 LEU 51 HD23 LEU 51 6.726 3.438 1.624 426 H GLU 52 HN GLU 52 11.134 6.158 0.152 427 HA GLU 52 HA GLU 52 13.161 4.442 1.153 428 1HB GLU 52 HB2 GLU 52 13.232 6.137 -0.814 429 2HB GLU 52 HB1 GLU 52 13.619 7.327 0.428 430 1HG GLU 52 HG2 GLU 52 15.567 5.989 1.083 431 2HG GLU 52 HG1 GLU 52 15.194 4.833 -0.194 432 H LYS 53 HN LYS 53 11.834 7.522 2.125 433 HA LYS 53 HA LYS 53 13.518 8.145 4.248 434 1HB LYS 53 HB2 LYS 53 10.560 8.732 4.185 435 2HB LYS 53 HB1 LYS 53 11.826 9.660 4.979 436 1HG LYS 53 HG2 LYS 53 11.870 9.258 2.022 437 2HG LYS 53 HG1 LYS 53 10.860 10.511 2.744 438 1HD LYS 53 HD2 LYS 53 13.798 10.253 3.335 439 2HD LYS 53 HD1 LYS 53 13.183 11.208 1.983 440 1HE LYS 53 HE2 LYS 53 11.987 11.646 4.653 441 2HE LYS 53 HE1 LYS 53 13.616 12.266 4.380 442 1HZ LYS 53 HZ1 LYS 53 11.211 12.896 2.753 443 2HZ LYS 53 HZ2 LYS 53 12.770 13.479 2.456 444 3HZ LYS 53 HZ3 LYS 53 11.955 13.932 3.866 445 H LYS 54 HN LYS 54 10.822 5.905 4.063 446 HA LYS 54 HA LYS 54 10.651 5.456 6.891 447 1HB LYS 54 HB2 LYS 54 9.663 3.539 4.790 448 2HB LYS 54 HB1 LYS 54 8.999 3.869 6.385 449 1HG LYS 54 HG2 LYS 54 8.983 5.829 4.112 450 2HG LYS 54 HG1 LYS 54 7.629 4.783 4.538 451 1HD LYS 54 HD2 LYS 54 8.705 6.253 6.810 452 2HD LYS 54 HD1 LYS 54 8.092 7.303 5.535 453 1HE LYS 54 HE2 LYS 54 6.006 6.868 6.162 454 2HE LYS 54 HE1 LYS 54 6.282 5.147 5.879 455 1HZ LYS 54 HZ1 LYS 54 6.877 6.613 8.397 456 2HZ LYS 54 HZ2 LYS 54 7.174 4.971 8.128 457 3HZ LYS 54 HZ3 LYS 54 5.586 5.548 8.152 458 H GLY 55 HN GLY 55 11.642 3.454 4.150 459 1HA GLY 55 HA2 GLY 55 14.066 2.559 5.143 460 2HA GLY 55 HA1 GLY 55 12.852 1.405 5.689 461 H VAL 56 HN VAL 56 11.387 2.276 3.080 462 HA VAL 56 HA VAL 56 12.269 0.107 1.470 463 HB VAL 56 HB VAL 56 10.599 2.393 0.454 464 1HG1 VAL 56 HG11 VAL 56 9.960 -0.446 -0.076 465 2HG1 VAL 56 HG12 VAL 56 11.407 0.210 -0.834 466 3HG1 VAL 56 HG13 VAL 56 9.840 0.959 -1.130 467 1HG2 VAL 56 HG21 VAL 56 8.661 0.845 1.347 468 2HG2 VAL 56 HG22 VAL 56 9.390 2.073 2.380 469 3HG2 VAL 56 HG23 VAL 56 9.884 0.388 2.531 470 H LEU 57 HN LEU 57 14.519 0.695 1.379 471 HA LEU 57 HA LEU 57 15.320 3.052 -0.083 472 1HB LEU 57 HB2 LEU 57 16.679 0.831 1.361 473 2HB LEU 57 HB1 LEU 57 17.611 1.822 0.255 474 HG LEU 57 HG LEU 57 17.434 3.721 1.609 475 1HD1 LEU 57 HD11 LEU 57 15.373 2.528 3.416 476 2HD1 LEU 57 HD12 LEU 57 14.879 3.333 1.931 477 3HD1 LEU 57 HD13 LEU 57 15.783 4.221 3.153 478 1HD2 LEU 57 HD21 LEU 57 18.776 1.871 2.604 479 2HD2 LEU 57 HD22 LEU 57 17.370 1.470 3.597 480 3HD2 LEU 57 HD23 LEU 57 18.160 3.038 3.778 481 H ALA 58 HN ALA 58 14.089 0.230 -1.131 482 HA ALA 58 HA ALA 58 15.987 -0.232 -3.298 483 1HB ALA 58 HB1 ALA 58 15.029 -2.258 -3.577 484 2HB ALA 58 HB2 ALA 58 13.402 -1.645 -3.273 485 3HB ALA 58 HB3 ALA 58 14.490 -1.973 -1.920 486 H LEU 59 HN LEU 59 15.903 1.138 -4.943 487 HA LEU 59 HA LEU 59 13.804 2.751 -5.712 488 1HB LEU 59 HB2 LEU 59 16.139 1.570 -7.153 489 2HB LEU 59 HB1 LEU 59 14.888 2.339 -8.109 490 HG LEU 59 HG LEU 59 16.787 3.837 -7.612 491 1HD1 LEU 59 HD11 LEU 59 15.421 5.736 -6.816 492 2HD1 LEU 59 HD12 LEU 59 14.138 4.597 -6.405 493 3HD1 LEU 59 HD13 LEU 59 14.633 4.799 -8.086 494 1HD2 LEU 59 HD21 LEU 59 17.115 4.693 -5.366 495 2HD2 LEU 59 HD22 LEU 59 17.341 2.944 -5.390 496 3HD2 LEU 59 HD23 LEU 59 15.847 3.631 -4.754 497 H GLY 60 HN GLY 60 14.378 -0.615 -6.220 498 1HA GLY 60 HA2 GLY 60 12.376 -0.993 -8.214 499 2HA GLY 60 HA1 GLY 60 13.196 -2.255 -7.314 500 H ALA 61 HN ALA 61 12.506 -1.438 -4.709 501 HA ALA 61 HA ALA 61 9.913 -2.590 -4.512 502 1HB ALA 61 HB1 ALA 61 10.347 -2.819 -2.285 503 2HB ALA 61 HB2 ALA 61 11.221 -1.295 -2.175 504 3HB ALA 61 HB3 ALA 61 11.986 -2.704 -2.915 505 H ARG 62 HN ARG 62 11.164 0.645 -3.593 506 HA ARG 62 HA ARG 62 8.657 1.577 -2.738 507 1HB ARG 62 HB2 ARG 62 9.677 3.802 -2.726 508 2HB ARG 62 HB1 ARG 62 10.679 2.603 -1.950 509 1HG ARG 62 HG2 ARG 62 11.992 2.470 -4.091 510 2HG ARG 62 HG1 ARG 62 11.097 3.899 -4.614 511 1HD ARG 62 HD2 ARG 62 11.860 5.047 -2.538 512 2HD ARG 62 HD1 ARG 62 12.864 3.649 -2.186 513 HE ARG 62 HE ARG 62 13.918 4.201 -4.446 514 1HH1 ARG 62 HH11 ARG 62 12.540 6.587 -2.314 515 2HH1 ARG 62 HH12 ARG 62 13.618 7.846 -2.813 516 1HH2 ARG 62 HH21 ARG 62 15.357 5.861 -5.096 517 2HH2 ARG 62 HH22 ARG 62 15.213 7.436 -4.393 518 H ARG 63 HN ARG 63 10.447 2.529 -5.665 519 HA ARG 63 HA ARG 63 8.475 4.036 -6.848 520 1HB ARG 63 HB2 ARG 63 10.409 2.168 -8.228 521 2HB ARG 63 HB1 ARG 63 9.482 3.421 -9.036 522 1HG ARG 63 HG2 ARG 63 10.620 5.118 -7.688 523 2HG ARG 63 HG1 ARG 63 11.567 3.850 -6.907 524 1HD ARG 63 HD2 ARG 63 12.868 4.875 -8.668 525 2HD ARG 63 HD1 ARG 63 12.478 3.213 -9.106 526 HE ARG 63 HE ARG 63 10.626 5.158 -10.135 527 1HH1 ARG 63 HH11 ARG 63 13.621 3.468 -10.692 528 2HH1 ARG 63 HH12 ARG 63 13.570 3.678 -12.410 529 1HH2 ARG 63 HH21 ARG 63 10.550 5.440 -12.397 530 2HH2 ARG 63 HH22 ARG 63 11.824 4.799 -13.379 531 H LYS 64 HN LYS 64 8.654 0.619 -6.386 532 HA LYS 64 HA LYS 64 6.633 -0.083 -8.318 533 1HB LYS 64 HB2 LYS 64 8.383 -1.670 -7.686 534 2HB LYS 64 HB1 LYS 64 7.821 -1.644 -6.018 535 1HG LYS 64 HG2 LYS 64 7.017 -3.639 -7.016 536 2HG LYS 64 HG1 LYS 64 5.639 -2.552 -6.841 537 1HD LYS 64 HD2 LYS 64 5.778 -1.943 -9.180 538 2HD LYS 64 HD1 LYS 64 7.231 -2.927 -9.376 539 1HE LYS 64 HE2 LYS 64 4.483 -3.940 -8.650 540 2HE LYS 64 HE1 LYS 64 5.256 -4.083 -10.228 541 1HZ LYS 64 HZ1 LYS 64 6.246 -5.296 -7.703 542 2HZ LYS 64 HZ2 LYS 64 6.984 -5.439 -9.218 543 3HZ LYS 64 HZ3 LYS 64 5.459 -6.123 -8.953 544 H LEU 65 HN LEU 65 6.766 0.402 -4.814 545 HA LEU 65 HA LEU 65 4.191 -0.436 -4.174 546 1HB LEU 65 HB2 LEU 65 6.195 1.358 -2.956 547 2HB LEU 65 HB1 LEU 65 4.541 1.564 -2.409 548 HG LEU 65 HG LEU 65 5.406 -1.220 -2.476 549 1HD1 LEU 65 HD11 LEU 65 6.847 0.770 -0.752 550 2HD1 LEU 65 HD12 LEU 65 7.532 -0.422 -1.856 551 3HD1 LEU 65 HD13 LEU 65 6.748 -0.947 -0.366 552 1HD2 LEU 65 HD21 LEU 65 4.436 -1.138 -0.183 553 2HD2 LEU 65 HD22 LEU 65 3.334 -0.611 -1.455 554 3HD2 LEU 65 HD23 LEU 65 4.132 0.582 -0.428 555 H LEU 66 HN LEU 66 5.315 2.397 -5.779 556 HA LEU 66 HA LEU 66 3.139 4.114 -5.331 557 1HB LEU 66 HB2 LEU 66 5.262 3.903 -7.418 558 2HB LEU 66 HB1 LEU 66 3.914 4.991 -7.690 559 HG LEU 66 HG LEU 66 5.318 5.208 -5.082 560 1HD1 LEU 66 HD11 LEU 66 6.566 5.790 -7.722 561 2HD1 LEU 66 HD12 LEU 66 7.296 5.185 -6.232 562 3HD1 LEU 66 HD13 LEU 66 6.859 6.888 -6.373 563 1HD2 LEU 66 HD21 LEU 66 4.864 7.590 -5.463 564 2HD2 LEU 66 HD22 LEU 66 3.401 6.612 -5.575 565 3HD2 LEU 66 HD23 LEU 66 4.183 7.200 -7.042 566 H LYS 67 HN LYS 67 3.478 1.285 -7.253 567 HA LYS 67 HA LYS 67 1.293 1.866 -9.030 568 1HB LYS 67 HB2 LYS 67 3.379 0.221 -9.262 569 2HB LYS 67 HB1 LYS 67 2.249 -0.913 -8.540 570 1HG LYS 67 HG2 LYS 67 1.445 0.704 -10.923 571 2HG LYS 67 HG1 LYS 67 2.436 -0.741 -11.118 572 1HD LYS 67 HD2 LYS 67 -0.099 -0.834 -9.524 573 2HD LYS 67 HD1 LYS 67 -0.139 -0.945 -11.284 574 1HE LYS 67 HE2 LYS 67 1.489 -2.827 -11.126 575 2HE LYS 67 HE1 LYS 67 1.299 -2.770 -9.376 576 1HZ LYS 67 HZ1 LYS 67 -1.029 -3.278 -9.619 577 2HZ LYS 67 HZ2 LYS 67 -0.114 -4.454 -10.419 578 3HZ LYS 67 HZ3 LYS 67 -0.904 -3.250 -11.306 579 H ALA 68 HN ALA 68 1.881 0.088 -6.064 580 HA ALA 68 HA ALA 68 -0.744 -1.035 -5.870 581 1HB ALA 68 HB1 ALA 68 -0.058 -1.532 -3.511 582 2HB ALA 68 HB2 ALA 68 1.470 -0.713 -3.842 583 3HB ALA 68 HB3 ALA 68 1.032 -2.165 -4.743 584 H PHE 69 HN PHE 69 0.737 1.961 -5.003 585 HA PHE 69 HA PHE 69 -1.064 2.822 -3.008 586 1HB PHE 69 HB2 PHE 69 0.765 4.297 -4.901 587 2HB PHE 69 HB1 PHE 69 -0.208 5.122 -3.699 588 HD1 PHE 69 HD1 PHE 69 0.486 2.299 -1.977 589 HD2 PHE 69 HD2 PHE 69 2.541 5.647 -3.621 590 HE1 PHE 69 HE1 PHE 69 2.283 2.010 -0.327 591 HE2 PHE 69 HE2 PHE 69 4.337 5.360 -1.969 592 HZ PHE 69 HZ PHE 69 4.206 3.542 -0.311 593 H GLY 70 HN GLY 70 -1.035 3.170 -6.528 594 1HA GLY 70 HA2 GLY 70 -3.250 4.977 -6.599 595 2HA GLY 70 HA1 GLY 70 -2.542 4.156 -7.976 596 H ILE 71 HN ILE 71 -2.942 1.489 -7.145 597 HA ILE 71 HA ILE 71 -5.503 0.984 -8.088 598 HB ILE 71 HB ILE 71 -3.921 -0.788 -6.220 599 1HG1 ILE 71 HG12 ILE 71 -3.918 -1.023 -9.210 600 2HG1 ILE 71 HG11 ILE 71 -2.838 0.124 -8.424 601 1HG2 ILE 71 HG21 ILE 71 -5.949 -1.555 -8.310 602 2HG2 ILE 71 HG22 ILE 71 -6.325 -1.365 -6.598 603 3HG2 ILE 71 HG23 ILE 71 -5.182 -2.605 -7.118 604 1HD1 ILE 71 HD11 ILE 71 -2.927 -2.801 -7.750 605 2HD1 ILE 71 HD12 ILE 71 -1.724 -1.610 -7.251 606 3HD1 ILE 71 HD13 ILE 71 -1.837 -2.097 -8.943 607 H VAL 72 HN VAL 72 -4.337 1.433 -4.808 608 HA VAL 72 HA VAL 72 -6.794 0.735 -3.513 609 HB VAL 72 HB VAL 72 -4.594 2.482 -2.419 610 1HG1 VAL 72 HG11 VAL 72 -5.392 1.934 -0.279 611 2HG1 VAL 72 HG12 VAL 72 -6.403 0.634 -0.892 612 3HG1 VAL 72 HG13 VAL 72 -6.830 2.310 -1.224 613 1HG2 VAL 72 HG21 VAL 72 -3.847 0.239 -3.377 614 2HG2 VAL 72 HG22 VAL 72 -4.741 -0.491 -2.050 615 3HG2 VAL 72 HG23 VAL 72 -3.400 0.598 -1.712 616 H ILE 73 HN ILE 73 -5.165 3.785 -4.260 617 HA ILE 73 HA ILE 73 -6.966 5.584 -3.194 618 HB ILE 73 HB ILE 73 -5.093 5.736 -5.535 619 1HG1 ILE 73 HG12 ILE 73 -5.155 7.234 -2.911 620 2HG1 ILE 73 HG11 ILE 73 -4.270 5.734 -3.166 621 1HG2 ILE 73 HG21 ILE 73 -5.697 8.334 -5.139 622 2HG2 ILE 73 HG22 ILE 73 -7.268 7.584 -4.855 623 3HG2 ILE 73 HG23 ILE 73 -6.438 7.329 -6.387 624 1HD1 ILE 73 HD11 ILE 73 -3.766 8.081 -4.937 625 2HD1 ILE 73 HD12 ILE 73 -2.701 6.737 -4.515 626 3HD1 ILE 73 HD13 ILE 73 -3.040 7.999 -3.332 627 H ASP 74 HN ASP 74 -6.997 4.073 -6.366 628 HA ASP 74 HA ASP 74 -9.173 5.462 -7.469 629 1HB ASP 74 HB2 ASP 74 -7.589 4.099 -8.799 630 2HB ASP 74 HB1 ASP 74 -8.254 2.638 -8.077 631 H TYR 75 HN TYR 75 -9.186 2.098 -6.145 632 HA TYR 75 HA TYR 75 -11.972 1.825 -6.197 633 1HB TYR 75 HB2 TYR 75 -9.751 0.497 -4.732 634 2HB TYR 75 HB1 TYR 75 -11.381 0.227 -4.136 635 HD1 TYR 75 HD1 TYR 75 -11.411 0.794 -7.640 636 HD2 TYR 75 HD2 TYR 75 -10.635 -2.206 -4.730 637 HE1 TYR 75 HE1 TYR 75 -11.751 -0.933 -9.346 638 HE2 TYR 75 HE2 TYR 75 -10.965 -3.947 -6.433 639 HH TYR 75 HH TYR 75 -12.119 -4.217 -8.590 640 H LYS 76 HN LYS 76 -9.830 3.347 -3.933 641 HA LYS 76 HA LYS 76 -11.649 3.767 -1.815 642 1HB LYS 76 HB2 LYS 76 -9.205 4.073 -1.605 643 2HB LYS 76 HB1 LYS 76 -9.282 5.423 -2.721 644 1HG LYS 76 HG2 LYS 76 -11.078 6.206 -0.849 645 2HG LYS 76 HG1 LYS 76 -9.913 5.311 0.128 646 1HD LYS 76 HD2 LYS 76 -8.502 6.932 -1.746 647 2HD LYS 76 HD1 LYS 76 -9.681 7.934 -0.895 648 1HE LYS 76 HE2 LYS 76 -8.802 7.063 1.244 649 2HE LYS 76 HE1 LYS 76 -7.573 6.173 0.347 650 1HZ LYS 76 HZ1 LYS 76 -6.647 8.217 1.135 651 2HZ LYS 76 HZ2 LYS 76 -7.902 9.121 0.452 652 3HZ LYS 76 HZ3 LYS 76 -6.798 8.319 -0.546 653 H GLU 77 HN GLU 77 -10.761 5.543 -4.684 654 HA GLU 77 HA GLU 77 -12.437 7.798 -4.249 655 1HB GLU 77 HB2 GLU 77 -10.762 6.724 -6.481 656 2HB GLU 77 HB1 GLU 77 -11.873 8.039 -6.807 657 1HG GLU 77 HG2 GLU 77 -10.290 8.515 -4.432 658 2HG GLU 77 HG1 GLU 77 -9.293 8.246 -5.860 659 H ARG 78 HN ARG 78 -12.978 4.634 -5.434 660 HA ARG 78 HA ARG 78 -15.404 5.445 -6.868 661 1HB ARG 78 HB2 ARG 78 -13.903 2.830 -6.777 662 2HB ARG 78 HB1 ARG 78 -15.429 3.055 -7.616 663 1HG ARG 78 HG2 ARG 78 -14.357 4.799 -9.008 664 2HG ARG 78 HG1 ARG 78 -12.822 4.434 -8.215 665 1HD ARG 78 HD2 ARG 78 -12.937 3.271 -10.326 666 2HD ARG 78 HD1 ARG 78 -13.007 2.104 -9.004 667 HE ARG 78 HE ARG 78 -15.625 2.710 -9.664 668 1HH1 ARG 78 HH11 ARG 78 -12.848 1.293 -11.222 669 2HH1 ARG 78 HH12 ARG 78 -13.789 0.286 -12.270 670 1HH2 ARG 78 HH21 ARG 78 -16.871 1.389 -11.040 671 2HH2 ARG 78 HH22 ARG 78 -16.075 0.341 -12.168 672 H ASP 79 HN ASP 79 -14.782 5.016 -3.826 673 HA ASP 79 HA ASP 79 -15.936 4.370 -1.973 674 1HB ASP 79 HB2 ASP 79 -17.751 5.623 -3.177 675 2HB ASP 79 HB1 ASP 79 -18.296 4.089 -3.844 676 H LEU 80 HN LEU 80 -14.571 2.394 -3.589 677 HA LEU 80 HA LEU 80 -16.201 0.002 -3.402 678 1HB LEU 80 HB2 LEU 80 -13.853 0.810 -4.877 679 2HB LEU 80 HB1 LEU 80 -13.592 -0.734 -4.097 680 HG LEU 80 HG LEU 80 -16.017 -1.191 -5.163 681 1HD1 LEU 80 HD11 LEU 80 -16.177 -0.213 -7.355 682 2HD1 LEU 80 HD12 LEU 80 -14.657 0.650 -7.114 683 3HD1 LEU 80 HD13 LEU 80 -16.076 1.077 -6.155 684 1HD2 LEU 80 HD21 LEU 80 -13.959 -2.526 -5.436 685 2HD2 LEU 80 HD22 LEU 80 -13.434 -1.393 -6.681 686 3HD2 LEU 80 HD23 LEU 80 -14.880 -2.370 -6.933 687 H ILE 81 HN ILE 81 -13.409 1.475 -1.840 688 HA ILE 81 HA ILE 81 -12.902 -0.781 -0.119 689 HB ILE 81 HB ILE 81 -11.918 2.073 0.062 690 1HG1 ILE 81 HG12 ILE 81 -10.527 -0.420 -0.945 691 2HG1 ILE 81 HG11 ILE 81 -11.214 0.830 -1.975 692 1HG2 ILE 81 HG21 ILE 81 -10.882 -0.380 1.486 693 2HG2 ILE 81 HG22 ILE 81 -11.887 0.861 2.236 694 3HG2 ILE 81 HG23 ILE 81 -10.275 1.268 1.642 695 1HD1 ILE 81 HD11 ILE 81 -8.920 1.131 -0.055 696 2HD1 ILE 81 HD12 ILE 81 -9.652 2.455 -0.962 697 3HD1 ILE 81 HD13 ILE 81 -8.846 1.140 -1.818 698 H ASP 82 HN ASP 82 -13.656 -1.133 1.898 699 HA ASP 82 HA ASP 82 -16.017 0.107 2.761 700 1HB ASP 82 HB2 ASP 82 -14.955 -2.205 3.384 701 2HB ASP 82 HB1 ASP 82 -14.193 -1.292 4.682 702 H ARG 83 HN ARG 83 -16.429 1.793 4.070 703 HA ARG 83 HA ARG 83 -14.447 3.708 4.577 704 1HB ARG 83 HB2 ARG 83 -17.252 3.366 5.608 705 2HB ARG 83 HB1 ARG 83 -16.237 4.708 6.121 706 1HG ARG 83 HG2 ARG 83 -16.915 4.097 3.252 707 2HG ARG 83 HG1 ARG 83 -17.778 5.261 4.259 708 1HD ARG 83 HD2 ARG 83 -15.864 6.645 4.458 709 2HD ARG 83 HD1 ARG 83 -14.810 5.402 3.788 710 HE ARG 83 HE ARG 83 -15.520 5.968 1.654 711 1HH1 ARG 83 HH11 ARG 83 -17.341 7.707 4.063 712 2HH1 ARG 83 HH12 ARG 83 -18.018 8.827 2.929 713 1HH2 ARG 83 HH21 ARG 83 -16.407 7.439 0.154 714 2HH2 ARG 83 HH22 ARG 83 -17.488 8.675 0.708 715 H SER 84 HN SER 84 -15.157 0.837 6.178 716 HA SER 84 HA SER 84 -14.542 1.522 8.845 717 1HB SER 84 HB2 SER 84 -14.218 -1.109 7.378 718 2HB SER 84 HB1 SER 84 -14.070 -0.912 9.125 719 HG SER 84 HG SER 84 -16.147 -1.165 9.157 720 H ALA 85 HN ALA 85 -12.581 0.631 6.065 721 HA ALA 85 HA ALA 85 -10.112 0.369 7.432 722 1HB ALA 85 HB1 ALA 85 -9.107 0.718 5.168 723 2HB ALA 85 HB2 ALA 85 -10.732 1.021 4.551 724 3HB ALA 85 HB3 ALA 85 -10.325 -0.552 5.231 725 H TYR 86 HN TYR 86 -11.704 3.038 5.775 726 HA TYR 86 HA TYR 86 -9.825 5.003 5.755 727 1HB TYR 86 HB2 TYR 86 -12.759 5.195 6.426 728 2HB TYR 86 HB1 TYR 86 -11.742 6.613 6.242 729 HD1 TYR 86 HD1 TYR 86 -12.123 3.444 4.312 730 HD2 TYR 86 HD2 TYR 86 -12.174 7.690 4.254 731 HE1 TYR 86 HE1 TYR 86 -12.540 3.394 1.891 732 HE2 TYR 86 HE2 TYR 86 -12.591 7.659 1.829 733 HH TYR 86 HH TYR 86 -13.507 4.854 0.160 Start of MODEL 5 1 1H SER 1 HT1 SER 1 6.029 -14.798 -1.243 2 2H SER 1 HT2 SER 1 5.052 -14.820 -2.624 3 3H SER 1 HT3 SER 1 5.263 -13.381 -1.762 4 HA SER 1 HA SER 1 7.579 -13.304 -2.334 5 1HB SER 1 HB2 SER 1 8.500 -14.946 -3.932 6 2HB SER 1 HB1 SER 1 7.975 -15.723 -2.438 7 HG SER 1 HG SER 1 5.881 -15.841 -3.891 8 H ASN 2 HN ASN 2 4.588 -13.146 -3.558 9 HA ASN 2 HA ASN 2 5.397 -12.177 -6.205 10 1HB ASN 2 HB2 ASN 2 2.989 -12.193 -6.735 11 2HB ASN 2 HB1 ASN 2 3.545 -13.770 -6.184 12 1HD2 ASN 2 HD21 ASN 2 0.867 -12.593 -6.196 13 2HD2 ASN 2 HD22 ASN 2 0.316 -12.656 -4.559 14 H SER 3 HN SER 3 5.734 -10.078 -6.473 15 HA SER 3 HA SER 3 4.768 -8.195 -4.477 16 1HB SER 3 HB2 SER 3 6.357 -6.679 -5.296 17 2HB SER 3 HB1 SER 3 7.146 -8.240 -5.519 18 HG SER 3 HG SER 3 7.373 -7.409 -7.473 19 H SER 4 HN SER 4 3.182 -9.573 -6.762 20 HA SER 4 HA SER 4 2.305 -7.581 -8.538 21 1HB SER 4 HB2 SER 4 0.844 -10.027 -7.518 22 2HB SER 4 HB1 SER 4 0.345 -9.055 -8.902 23 HG SER 4 HG SER 4 2.124 -11.041 -8.819 24 H MET 5 HN MET 5 0.545 -6.205 -8.505 25 HA MET 5 HA MET 5 -0.286 -5.353 -5.866 26 1HB MET 5 HB2 MET 5 -0.442 -4.220 -8.616 27 2HB MET 5 HB1 MET 5 -1.564 -3.630 -7.398 28 1HG MET 5 HG2 MET 5 0.541 -2.303 -7.667 29 2HG MET 5 HG1 MET 5 0.186 -2.841 -6.027 30 1HE MET 5 HE1 MET 5 4.035 -3.029 -5.913 31 2HE MET 5 HE2 MET 5 2.557 -2.358 -5.223 32 3HE MET 5 HE3 MET 5 3.120 -1.812 -6.802 33 H ASN 6 HN ASN 6 -1.594 -7.215 -5.334 34 HA ASN 6 HA ASN 6 -3.829 -8.042 -6.851 35 1HB ASN 6 HB2 ASN 6 -3.413 -8.281 -3.860 36 2HB ASN 6 HB1 ASN 6 -4.526 -9.232 -4.839 37 1HD2 ASN 6 HD21 ASN 6 -3.735 -10.853 -6.160 38 2HD2 ASN 6 HD22 ASN 6 -2.127 -11.466 -6.009 39 HA PRO 7 HA PRO 7 -6.174 -4.265 -5.880 40 1HB PRO 7 HB2 PRO 7 -8.183 -5.466 -7.662 41 2HB PRO 7 HB1 PRO 7 -7.353 -3.913 -7.785 42 1HG PRO 7 HG2 PRO 7 -6.803 -5.945 -9.456 43 2HG PRO 7 HG1 PRO 7 -5.554 -4.808 -8.914 44 1HD PRO 7 HD2 PRO 7 -6.132 -7.585 -7.959 45 2HD PRO 7 HD1 PRO 7 -4.570 -6.807 -8.267 46 H LYS 8 HN LYS 8 -6.932 -7.564 -5.380 47 HA LYS 8 HA LYS 8 -9.493 -7.090 -4.153 48 1HB LYS 8 HB2 LYS 8 -7.743 -9.553 -3.990 49 2HB LYS 8 HB1 LYS 8 -9.442 -9.452 -3.553 50 1HG LYS 8 HG2 LYS 8 -9.588 -10.395 -5.627 51 2HG LYS 8 HG1 LYS 8 -9.723 -8.685 -6.041 52 1HD LYS 8 HD2 LYS 8 -7.045 -8.986 -6.121 53 2HD LYS 8 HD1 LYS 8 -7.556 -10.609 -6.592 54 1HE LYS 8 HE2 LYS 8 -8.323 -8.006 -7.900 55 2HE LYS 8 HE1 LYS 8 -7.282 -9.263 -8.568 56 1HZ LYS 8 HZ1 LYS 8 -9.176 -10.767 -8.588 57 2HZ LYS 8 HZ2 LYS 8 -9.503 -9.380 -9.499 58 3HZ LYS 8 HZ3 LYS 8 -10.175 -9.556 -7.956 59 H SER 9 HN SER 9 -6.275 -8.023 -2.993 60 HA SER 9 HA SER 9 -7.007 -7.720 -0.243 61 1HB SER 9 HB2 SER 9 -4.356 -8.169 -1.618 62 2HB SER 9 HB1 SER 9 -4.526 -8.060 0.132 63 HG SER 9 HG SER 9 -5.793 -9.945 -1.572 64 H LEU 10 HN LEU 10 -5.292 -5.758 -2.610 65 HA LEU 10 HA LEU 10 -4.337 -3.829 -0.781 66 1HB LEU 10 HB2 LEU 10 -4.942 -3.532 -3.717 67 2HB LEU 10 HB1 LEU 10 -4.043 -2.383 -2.757 68 HG LEU 10 HG LEU 10 -3.200 -5.055 -3.785 69 1HD1 LEU 10 HD11 LEU 10 -2.081 -3.659 -5.095 70 2HD1 LEU 10 HD12 LEU 10 -1.061 -3.328 -3.692 71 3HD1 LEU 10 HD13 LEU 10 -2.430 -2.277 -4.057 72 1HD2 LEU 10 HD21 LEU 10 -1.908 -3.725 -1.411 73 2HD2 LEU 10 HD22 LEU 10 -1.366 -5.183 -2.236 74 3HD2 LEU 10 HD23 LEU 10 -2.880 -5.194 -1.340 75 H THR 11 HN THR 11 -7.473 -4.543 -1.680 76 HA THR 11 HA THR 11 -8.304 -1.822 -0.880 77 HB THR 11 HB THR 11 -10.112 -1.817 -2.407 78 HG1 THR 11 HG1 THR 11 -11.016 -3.722 -2.680 79 1HG2 THR 11 HG21 THR 11 -7.802 -1.420 -3.379 80 2HG2 THR 11 HG22 THR 11 -9.040 -1.909 -4.534 81 3HG2 THR 11 HG23 THR 11 -7.860 -3.083 -3.964 82 H ASP 12 HN ASP 12 -7.936 -4.471 0.531 83 HA ASP 12 HA ASP 12 -10.665 -4.772 1.584 84 1HB ASP 12 HB2 ASP 12 -9.510 -6.823 0.615 85 2HB ASP 12 HB1 ASP 12 -8.363 -6.700 1.946 86 HA PRO 13 HA PRO 13 -9.107 -2.206 4.907 87 1HB PRO 13 HB2 PRO 13 -11.303 -3.740 6.271 88 2HB PRO 13 HB1 PRO 13 -10.890 -2.023 6.402 89 1HG PRO 13 HG2 PRO 13 -12.893 -2.758 4.853 90 2HG PRO 13 HG1 PRO 13 -11.742 -1.522 4.290 91 1HD PRO 13 HD2 PRO 13 -11.998 -4.393 3.490 92 2HD PRO 13 HD1 PRO 13 -11.516 -2.991 2.518 93 H LYS 14 HN LYS 14 -9.378 -5.684 4.973 94 HA LYS 14 HA LYS 14 -8.303 -6.197 7.520 95 1HB LYS 14 HB2 LYS 14 -9.302 -7.905 5.960 96 2HB LYS 14 HB1 LYS 14 -7.817 -7.822 5.023 97 1HG LYS 14 HG2 LYS 14 -7.736 -8.469 7.939 98 2HG LYS 14 HG1 LYS 14 -8.104 -9.713 6.743 99 1HD LYS 14 HD2 LYS 14 -5.983 -9.752 5.939 100 2HD LYS 14 HD1 LYS 14 -5.752 -8.016 6.180 101 1HE LYS 14 HE2 LYS 14 -4.316 -9.390 7.639 102 2HE LYS 14 HE1 LYS 14 -5.413 -8.334 8.526 103 1HZ LYS 14 HZ1 LYS 14 -6.885 -10.230 8.871 104 2HZ LYS 14 HZ2 LYS 14 -5.348 -10.528 9.512 105 3HZ LYS 14 HZ3 LYS 14 -5.805 -11.239 8.047 106 H LEU 15 HN LEU 15 -6.682 -6.096 4.374 107 HA LEU 15 HA LEU 15 -4.052 -6.109 5.453 108 1HB LEU 15 HB2 LEU 15 -5.123 -5.385 2.733 109 2HB LEU 15 HB1 LEU 15 -3.426 -5.439 3.108 110 HG LEU 15 HG LEU 15 -4.050 -7.457 1.959 111 1HD1 LEU 15 HD11 LEU 15 -3.774 -8.942 4.289 112 2HD1 LEU 15 HD12 LEU 15 -3.010 -7.388 4.638 113 3HD1 LEU 15 HD13 LEU 15 -2.480 -8.342 3.249 114 1HD2 LEU 15 HD21 LEU 15 -5.692 -9.003 2.816 115 2HD2 LEU 15 HD22 LEU 15 -6.439 -7.425 2.562 116 3HD2 LEU 15 HD23 LEU 15 -6.012 -7.949 4.196 117 H LEU 16 HN LEU 16 -6.182 -3.644 4.148 118 HA LEU 16 HA LEU 16 -4.460 -1.492 4.110 119 1HB LEU 16 HB2 LEU 16 -7.390 -1.383 4.818 120 2HB LEU 16 HB1 LEU 16 -6.433 -0.126 4.060 121 HG LEU 16 HG LEU 16 -6.945 -2.797 2.775 122 1HD1 LEU 16 HD11 LEU 16 -8.791 -1.998 1.692 123 2HD1 LEU 16 HD12 LEU 16 -8.321 -0.317 1.892 124 3HD1 LEU 16 HD13 LEU 16 -8.973 -1.213 3.259 125 1HD2 LEU 16 HD21 LEU 16 -5.131 -0.746 2.210 126 2HD2 LEU 16 HD22 LEU 16 -6.414 -0.592 1.012 127 3HD2 LEU 16 HD23 LEU 16 -5.554 -2.118 1.189 128 H LYS 17 HN LYS 17 -6.506 -2.615 6.803 129 HA LYS 17 HA LYS 17 -5.597 -0.585 8.595 130 1HB LYS 17 HB2 LYS 17 -6.957 -3.231 9.144 131 2HB LYS 17 HB1 LYS 17 -6.673 -1.985 10.348 132 1HG LYS 17 HG2 LYS 17 -8.158 -0.485 9.248 133 2HG LYS 17 HG1 LYS 17 -8.300 -1.562 7.858 134 1HD LYS 17 HD2 LYS 17 -9.389 -3.239 9.233 135 2HD LYS 17 HD1 LYS 17 -9.185 -2.227 10.665 136 1HE LYS 17 HE2 LYS 17 -10.596 -0.514 9.644 137 2HE LYS 17 HE1 LYS 17 -10.812 -1.532 8.223 138 1HZ LYS 17 HZ1 LYS 17 -12.690 -1.705 9.736 139 2HZ LYS 17 HZ2 LYS 17 -11.670 -2.220 10.983 140 3HZ LYS 17 HZ3 LYS 17 -11.886 -3.189 9.613 141 H ASN 18 HN ASN 18 -4.441 -3.648 7.546 142 HA ASN 18 HA ASN 18 -2.327 -3.613 9.605 143 1HB ASN 18 HB2 ASN 18 -4.041 -5.653 9.233 144 2HB ASN 18 HB1 ASN 18 -2.876 -6.059 7.983 145 1HD2 ASN 18 HD21 ASN 18 -2.465 -7.969 9.196 146 2HD2 ASN 18 HD22 ASN 18 -1.391 -7.924 10.547 147 H ILE 19 HN ILE 19 -1.437 -1.952 8.030 148 HA ILE 19 HA ILE 19 -0.746 -2.332 5.447 149 HB ILE 19 HB ILE 19 0.822 -0.968 7.612 150 1HG1 ILE 19 HG12 ILE 19 -1.286 0.088 6.941 151 2HG1 ILE 19 HG11 ILE 19 0.080 1.056 6.415 152 1HG2 ILE 19 HG21 ILE 19 1.469 -0.698 4.690 153 2HG2 ILE 19 HG22 ILE 19 2.283 -1.877 5.712 154 3HG2 ILE 19 HG23 ILE 19 2.406 -0.160 6.083 155 1HD1 ILE 19 HD11 ILE 19 -1.271 1.118 4.570 156 2HD1 ILE 19 HD12 ILE 19 -1.832 -0.538 4.776 157 3HD1 ILE 19 HD13 ILE 19 -0.205 -0.225 4.171 158 HA PRO 20 HA PRO 20 3.420 -4.710 6.859 159 1HB PRO 20 HB2 PRO 20 1.877 -6.244 8.921 160 2HB PRO 20 HB1 PRO 20 3.606 -5.860 8.873 161 1HG PRO 20 HG2 PRO 20 1.949 -4.503 10.451 162 2HG PRO 20 HG1 PRO 20 3.282 -3.695 9.615 163 1HD PRO 20 HD2 PRO 20 0.370 -3.571 9.084 164 2HD PRO 20 HD1 PRO 20 1.638 -2.376 8.740 165 H MET 21 HN MET 21 0.182 -5.991 7.364 166 HA MET 21 HA MET 21 0.578 -8.437 5.964 167 1HB MET 21 HB2 MET 21 -1.169 -7.667 7.781 168 2HB MET 21 HB1 MET 21 -2.112 -7.193 6.376 169 1HG MET 21 HG2 MET 21 -2.918 -9.273 6.618 170 2HG MET 21 HG1 MET 21 -1.511 -9.677 5.636 171 1HE MET 21 HE1 MET 21 0.977 -11.167 8.203 172 2HE MET 21 HE2 MET 21 0.943 -9.484 7.674 173 3HE MET 21 HE3 MET 21 0.644 -10.781 6.514 174 H TRP 22 HN TRP 22 -0.913 -5.323 5.186 175 HA TRP 22 HA TRP 22 -1.873 -5.787 2.655 176 1HB TRP 22 HB2 TRP 22 -2.157 -3.706 3.965 177 2HB TRP 22 HB1 TRP 22 -0.477 -3.297 3.672 178 HD1 TRP 22 HD1 TRP 22 -3.796 -3.712 1.744 179 HE1 TRP 22 HE1 TRP 22 -3.678 -2.235 -0.360 180 HE3 TRP 22 HE3 TRP 22 1.040 -2.104 2.170 181 HZ2 TRP 22 HZ2 TRP 22 -1.772 -0.624 -1.684 182 HZ3 TRP 22 HZ3 TRP 22 1.934 -0.594 0.438 183 HH2 TRP 22 HH2 TRP 22 0.554 0.135 -1.441 184 H LEU 23 HN LEU 23 1.384 -5.155 3.734 185 HA LEU 23 HA LEU 23 2.563 -4.959 1.148 186 1HB LEU 23 HB2 LEU 23 3.683 -5.442 3.903 187 2HB LEU 23 HB1 LEU 23 4.679 -5.290 2.472 188 HG LEU 23 HG LEU 23 2.783 -3.145 3.402 189 1HD1 LEU 23 HD11 LEU 23 4.978 -2.024 4.085 190 2HD1 LEU 23 HD12 LEU 23 5.659 -3.652 4.071 191 3HD1 LEU 23 HD13 LEU 23 4.316 -3.264 5.146 192 1HD2 LEU 23 HD21 LEU 23 4.006 -1.723 1.891 193 2HD2 LEU 23 HD22 LEU 23 3.425 -3.137 1.012 194 3HD2 LEU 23 HD23 LEU 23 5.116 -3.035 1.498 195 H LYS 24 HN LYS 24 1.785 -7.558 3.343 196 HA LYS 24 HA LYS 24 3.468 -9.559 2.458 197 1HB LYS 24 HB2 LYS 24 1.287 -9.371 4.175 198 2HB LYS 24 HB1 LYS 24 0.753 -10.507 2.952 199 1HG LYS 24 HG2 LYS 24 3.384 -10.804 4.343 200 2HG LYS 24 HG1 LYS 24 1.885 -11.425 5.037 201 1HD LYS 24 HD2 LYS 24 2.557 -13.265 3.886 202 2HD LYS 24 HD1 LYS 24 1.626 -12.466 2.621 203 1HE LYS 24 HE2 LYS 24 3.623 -13.058 1.565 204 2HE LYS 24 HE1 LYS 24 3.832 -11.351 1.968 205 1HZ LYS 24 HZ1 LYS 24 5.784 -12.754 2.489 206 2HZ LYS 24 HZ2 LYS 24 4.856 -13.588 3.630 207 3HZ LYS 24 HZ3 LYS 24 5.169 -11.939 3.838 208 H SER 25 HN SER 25 0.386 -8.414 1.148 209 HA SER 25 HA SER 25 0.241 -10.362 -0.934 210 1HB SER 25 HB2 SER 25 -1.175 -7.710 -0.535 211 2HB SER 25 HB1 SER 25 -1.505 -8.796 -1.886 212 HG SER 25 HG SER 25 -2.790 -9.792 -0.572 213 H LEU 26 HN LEU 26 2.067 -7.576 -0.438 214 HA LEU 26 HA LEU 26 2.724 -7.350 -3.301 215 1HB LEU 26 HB2 LEU 26 3.272 -5.319 -1.143 216 2HB LEU 26 HB1 LEU 26 3.440 -5.099 -2.874 217 HG LEU 26 HG LEU 26 0.813 -5.561 -1.474 218 1HD1 LEU 26 HD11 LEU 26 0.472 -3.115 -2.034 219 2HD1 LEU 26 HD12 LEU 26 2.216 -3.027 -2.295 220 3HD1 LEU 26 HD13 LEU 26 1.580 -3.465 -0.709 221 1HD2 LEU 26 HD21 LEU 26 0.364 -4.297 -3.871 222 2HD2 LEU 26 HD22 LEU 26 0.150 -6.016 -3.548 223 3HD2 LEU 26 HD23 LEU 26 1.657 -5.435 -4.256 224 H ARG 27 HN ARG 27 3.674 -8.970 -0.819 225 HA ARG 27 HA ARG 27 5.504 -9.855 0.076 226 1HB ARG 27 HB2 ARG 27 7.260 -10.550 -1.374 227 2HB ARG 27 HB1 ARG 27 5.724 -10.692 -2.208 228 1HG ARG 27 HG2 ARG 27 7.152 -9.862 -3.810 229 2HG ARG 27 HG1 ARG 27 6.303 -8.433 -3.243 230 1HD ARG 27 HD2 ARG 27 8.171 -7.773 -1.903 231 2HD ARG 27 HD1 ARG 27 9.001 -9.295 -2.224 232 HE ARG 27 HE ARG 27 8.390 -7.629 -4.529 233 1HH1 ARG 27 HH11 ARG 27 10.744 -8.657 -2.170 234 2HH1 ARG 27 HH12 ARG 27 12.102 -8.144 -3.116 235 1HH2 ARG 27 HH21 ARG 27 10.173 -6.953 -5.776 236 2HH2 ARG 27 HH22 ARG 27 11.777 -7.176 -5.163 237 H LEU 28 HN LEU 28 5.516 -6.589 -0.356 238 HA LEU 28 HA LEU 28 8.286 -6.197 0.427 239 1HB LEU 28 HB2 LEU 28 6.207 -4.027 0.507 240 2HB LEU 28 HB1 LEU 28 7.920 -3.922 0.236 241 HG LEU 28 HG LEU 28 6.715 -5.452 -1.866 242 1HD1 LEU 28 HD11 LEU 28 5.502 -3.489 -2.868 243 2HD1 LEU 28 HD12 LEU 28 5.552 -2.746 -1.268 244 3HD1 LEU 28 HD13 LEU 28 4.701 -4.263 -1.505 245 1HD2 LEU 28 HD21 LEU 28 8.786 -4.554 -2.318 246 2HD2 LEU 28 HD22 LEU 28 8.404 -3.019 -1.539 247 3HD2 LEU 28 HD23 LEU 28 7.717 -3.400 -3.120 248 H HIS 29 HN HIS 29 6.356 -7.742 2.119 249 HA HIS 29 HA HIS 29 5.718 -6.273 4.423 250 1HB HIS 29 HB2 HIS 29 5.911 -8.489 5.617 251 2HB HIS 29 HB1 HIS 29 4.833 -8.497 4.224 252 HD1 HIS 29 HD1 HIS 29 6.140 -9.359 1.918 253 HD2 HIS 29 HD2 HIS 29 7.647 -10.569 5.597 254 HE1 HIS 29 HE1 HIS 29 7.569 -11.368 1.428 255 HE2 HIS 29 HE2 HIS 29 8.446 -12.105 3.674 256 H LYS 30 HN LYS 30 8.584 -7.133 2.981 257 HA LYS 30 HA LYS 30 10.465 -7.340 4.990 258 1HB LYS 30 HB2 LYS 30 11.870 -5.963 3.215 259 2HB LYS 30 HB1 LYS 30 11.390 -7.600 2.882 260 1HG LYS 30 HG2 LYS 30 9.500 -6.732 1.581 261 2HG LYS 30 HG1 LYS 30 10.102 -5.099 1.872 262 1HD LYS 30 HD2 LYS 30 12.293 -5.900 0.867 263 2HD LYS 30 HD1 LYS 30 11.403 -7.328 0.329 264 1HE LYS 30 HE2 LYS 30 9.913 -5.983 -0.971 265 2HE LYS 30 HE1 LYS 30 10.600 -4.507 -0.297 266 1HZ LYS 30 HZ1 LYS 30 12.686 -5.006 -1.396 267 2HZ LYS 30 HZ2 LYS 30 11.432 -4.955 -2.530 268 3HZ LYS 30 HZ3 LYS 30 12.049 -6.445 -2.019 269 H TYR 31 HN TYR 31 9.056 -4.577 3.431 270 HA TYR 31 HA TYR 31 10.159 -2.716 5.391 271 1HB TYR 31 HB2 TYR 31 8.619 -2.236 2.836 272 2HB TYR 31 HB1 TYR 31 9.319 -0.982 3.858 273 HD1 TYR 31 HD1 TYR 31 9.821 -2.022 0.846 274 HD2 TYR 31 HD2 TYR 31 11.941 -2.255 4.524 275 HE1 TYR 31 HE1 TYR 31 11.933 -2.271 -0.391 276 HE2 TYR 31 HE2 TYR 31 14.059 -2.489 3.299 277 HH TYR 31 HH TYR 31 14.845 -3.206 1.104 278 H SER 32 HN SER 32 8.178 -4.608 6.222 279 HA SER 32 HA SER 32 5.634 -3.328 6.390 280 1HB SER 32 HB2 SER 32 5.078 -5.078 8.021 281 2HB SER 32 HB1 SER 32 5.855 -5.773 6.599 282 HG SER 32 HG SER 32 7.061 -5.223 9.110 283 H ASP 33 HN ASP 33 8.361 -3.715 8.599 284 HA ASP 33 HA ASP 33 7.275 -2.390 10.794 285 1HB ASP 33 HB2 ASP 33 10.140 -2.654 9.874 286 2HB ASP 33 HB1 ASP 33 9.646 -2.106 11.462 287 H ALA 34 HN ALA 34 9.020 -1.163 7.985 288 HA ALA 34 HA ALA 34 9.179 1.532 8.969 289 1HB ALA 34 HB1 ALA 34 10.289 2.055 6.973 290 2HB ALA 34 HB2 ALA 34 9.602 0.667 6.133 291 3HB ALA 34 HB3 ALA 34 10.814 0.424 7.393 292 H LEU 35 HN LEU 35 6.937 -0.267 7.013 293 HA LEU 35 HA LEU 35 5.586 2.213 6.246 294 1HB LEU 35 HB2 LEU 35 5.391 -0.620 5.266 295 2HB LEU 35 HB1 LEU 35 4.261 0.627 4.775 296 HG LEU 35 HG LEU 35 5.869 1.786 3.534 297 1HD1 LEU 35 HD11 LEU 35 7.873 0.368 5.244 298 2HD1 LEU 35 HD12 LEU 35 7.769 2.080 4.841 299 3HD1 LEU 35 HD13 LEU 35 8.339 0.923 3.647 300 1HD2 LEU 35 HD21 LEU 35 5.213 -0.444 2.602 301 2HD2 LEU 35 HD22 LEU 35 6.728 -1.097 3.248 302 3HD2 LEU 35 HD23 LEU 35 6.757 0.170 2.011 303 H SER 36 HN SER 36 5.310 -0.268 8.555 304 HA SER 36 HA SER 36 2.495 -0.476 8.720 305 1HB SER 36 HB2 SER 36 3.969 -2.128 9.780 306 2HB SER 36 HB1 SER 36 4.559 -0.900 10.893 307 HG SER 36 HG SER 36 2.053 -0.746 11.237 308 H GLY 37 HN GLY 37 4.862 1.582 10.371 309 1HA GLY 37 HA2 GLY 37 3.181 2.878 12.162 310 2HA GLY 37 HA1 GLY 37 4.612 3.602 11.437 311 H THR 38 HN THR 38 3.266 3.050 8.751 312 HA THR 38 HA THR 38 1.595 5.463 8.752 313 HB THR 38 HB THR 38 3.052 4.199 6.412 314 HG1 THR 38 HG1 THR 38 4.160 6.442 6.828 315 1HG2 THR 38 HG21 THR 38 0.891 5.758 6.234 316 2HG2 THR 38 HG22 THR 38 2.234 5.873 5.094 317 3HG2 THR 38 HG23 THR 38 2.112 7.018 6.430 318 HA PRO 39 HA PRO 39 -1.834 2.667 7.912 319 1HB PRO 39 HB2 PRO 39 -3.666 4.550 7.264 320 2HB PRO 39 HB1 PRO 39 -3.166 4.254 8.933 321 1HG PRO 39 HG2 PRO 39 -2.142 6.309 7.008 322 2HG PRO 39 HG1 PRO 39 -2.704 6.552 8.671 323 1HD PRO 39 HD2 PRO 39 -0.108 6.380 8.164 324 2HD PRO 39 HD1 PRO 39 -0.790 5.547 9.579 325 H TRP 40 HN TRP 40 -3.556 2.535 6.046 326 HA TRP 40 HA TRP 40 -2.089 2.443 3.603 327 1HB TRP 40 HB2 TRP 40 -4.067 1.559 2.572 328 2HB TRP 40 HB1 TRP 40 -3.897 0.814 4.149 329 HD1 TRP 40 HD1 TRP 40 -5.671 1.662 6.077 330 HE1 TRP 40 HE1 TRP 40 -8.081 2.539 5.820 331 HE3 TRP 40 HE3 TRP 40 -5.585 2.895 1.105 332 HZ2 TRP 40 HZ2 TRP 40 -9.714 3.626 3.803 333 HZ3 TRP 40 HZ3 TRP 40 -7.614 3.855 0.097 334 HH2 TRP 40 HH2 TRP 40 -9.634 4.209 1.419 335 H ILE 41 HN ILE 41 -4.804 4.410 4.770 336 HA ILE 41 HA ILE 41 -5.280 5.939 2.541 337 HB ILE 41 HB ILE 41 -6.452 5.994 4.837 338 1HG1 ILE 41 HG12 ILE 41 -6.600 8.735 4.267 339 2HG1 ILE 41 HG11 ILE 41 -6.204 7.964 2.731 340 1HG2 ILE 41 HG21 ILE 41 -4.645 8.336 5.339 341 2HG2 ILE 41 HG22 ILE 41 -4.285 6.732 5.977 342 3HG2 ILE 41 HG23 ILE 41 -5.775 7.554 6.445 343 1HD1 ILE 41 HD11 ILE 41 -8.514 7.223 4.513 344 2HD1 ILE 41 HD12 ILE 41 -8.134 6.515 2.943 345 3HD1 ILE 41 HD13 ILE 41 -8.612 8.209 3.054 346 H GLU 42 HN GLU 42 -2.527 5.992 4.641 347 HA GLU 42 HA GLU 42 -1.569 8.494 3.444 348 1HB GLU 42 HB2 GLU 42 -0.634 6.906 5.832 349 2HB GLU 42 HB1 GLU 42 0.287 8.246 5.163 350 1HG GLU 42 HG2 GLU 42 -1.697 9.703 5.532 351 2HG GLU 42 HG1 GLU 42 -2.470 8.352 6.359 352 H LEU 43 HN LEU 43 -0.833 5.092 3.818 353 HA LEU 43 HA LEU 43 1.663 4.934 2.605 354 1HB LEU 43 HB2 LEU 43 -0.398 3.167 3.402 355 2HB LEU 43 HB1 LEU 43 0.030 2.741 1.762 356 HG LEU 43 HG LEU 43 1.285 1.379 3.317 357 1HD1 LEU 43 HD11 LEU 43 3.608 2.011 2.642 358 2HD1 LEU 43 HD12 LEU 43 2.926 3.464 1.911 359 3HD1 LEU 43 HD13 LEU 43 2.455 1.873 1.315 360 1HD2 LEU 43 HD21 LEU 43 2.157 2.117 5.219 361 2HD2 LEU 43 HD22 LEU 43 1.303 3.628 4.914 362 3HD2 LEU 43 HD23 LEU 43 2.983 3.450 4.413 363 H ILE 44 HN ILE 44 -1.499 4.348 1.175 364 HA ILE 44 HA ILE 44 -0.786 4.226 -1.491 365 HB ILE 44 HB ILE 44 -3.119 4.573 -1.984 366 1HG1 ILE 44 HG12 ILE 44 -3.552 5.357 0.896 367 2HG1 ILE 44 HG11 ILE 44 -3.304 6.548 -0.361 368 1HG2 ILE 44 HG21 ILE 44 -4.101 3.018 -0.172 369 2HG2 ILE 44 HG22 ILE 44 -2.462 2.985 0.474 370 3HG2 ILE 44 HG23 ILE 44 -2.777 2.420 -1.168 371 1HD1 ILE 44 HD11 ILE 44 -5.706 5.732 0.430 372 2HD1 ILE 44 HD12 ILE 44 -5.411 4.540 -0.835 373 3HD1 ILE 44 HD13 ILE 44 -5.372 6.260 -1.216 374 H TYR 45 HN TYR 45 -0.712 6.897 0.576 375 HA TYR 45 HA TYR 45 -0.984 8.805 -1.639 376 1HB TYR 45 HB2 TYR 45 -1.255 9.025 1.324 377 2HB TYR 45 HB1 TYR 45 -0.778 10.455 0.418 378 HD1 TYR 45 HD1 TYR 45 -2.984 8.107 -1.279 379 HD2 TYR 45 HD2 TYR 45 -2.858 11.514 1.274 380 HE1 TYR 45 HE1 TYR 45 -5.355 8.559 -1.771 381 HE2 TYR 45 HE2 TYR 45 -5.221 11.975 0.783 382 HH TYR 45 HH TYR 45 -6.865 11.485 -0.990 383 H LEU 46 HN LEU 46 1.392 7.237 0.232 384 HA LEU 46 HA LEU 46 3.396 9.211 0.333 385 1HB LEU 46 HB2 LEU 46 3.854 6.252 -0.008 386 2HB LEU 46 HB1 LEU 46 4.972 7.419 0.643 387 HG LEU 46 HG LEU 46 2.477 6.369 1.946 388 1HD1 LEU 46 HD11 LEU 46 4.132 5.748 3.711 389 2HD1 LEU 46 HD12 LEU 46 5.418 6.244 2.604 390 3HD1 LEU 46 HD13 LEU 46 4.347 4.903 2.178 391 1HD2 LEU 46 HD21 LEU 46 4.103 8.795 2.552 392 2HD2 LEU 46 HD22 LEU 46 3.408 7.857 3.872 393 3HD2 LEU 46 HD23 LEU 46 2.357 8.561 2.643 394 H ASP 47 HN ASP 47 5.590 8.121 -0.862 395 HA ASP 47 HA ASP 47 5.106 7.722 -3.680 396 1HB ASP 47 HB2 ASP 47 6.496 10.210 -2.659 397 2HB ASP 47 HB1 ASP 47 6.577 9.652 -4.327 398 H ASP 48 HN ASP 48 7.355 7.706 -4.812 399 HA ASP 48 HA ASP 48 8.877 5.629 -3.882 400 1HB ASP 48 HB2 ASP 48 9.345 6.161 -6.081 401 2HB ASP 48 HB1 ASP 48 9.403 7.891 -5.761 402 H GLU 49 HN GLU 49 9.634 9.071 -3.560 403 HA GLU 49 HA GLU 49 11.945 8.885 -2.045 404 1HB GLU 49 HB2 GLU 49 11.224 10.992 -2.990 405 2HB GLU 49 HB1 GLU 49 9.807 11.009 -1.951 406 1HG GLU 49 HG2 GLU 49 11.301 11.147 0.025 407 2HG GLU 49 HG1 GLU 49 12.678 11.243 -1.076 408 H THR 50 HN THR 50 8.695 9.566 -0.701 409 HA THR 50 HA THR 50 9.315 9.505 1.963 410 HB THR 50 HB THR 50 6.784 8.427 0.713 411 HG1 THR 50 HG1 THR 50 6.852 10.526 0.141 412 1HG2 THR 50 HG21 THR 50 7.059 7.727 3.047 413 2HG2 THR 50 HG22 THR 50 5.759 8.909 2.881 414 3HG2 THR 50 HG23 THR 50 7.325 9.406 3.519 415 H LEU 51 HN LEU 51 8.413 6.738 -0.063 416 HA LEU 51 HA LEU 51 8.386 4.753 1.846 417 1HB LEU 51 HB2 LEU 51 9.138 4.776 -1.051 418 2HB LEU 51 HB1 LEU 51 9.239 3.293 -0.121 419 HG LEU 51 HG LEU 51 6.707 4.915 -0.275 420 1HD1 LEU 51 HD11 LEU 51 5.940 3.480 -2.038 421 2HD1 LEU 51 HD12 LEU 51 7.452 2.574 -2.011 422 3HD1 LEU 51 HD13 LEU 51 7.442 4.256 -2.544 423 1HD2 LEU 51 HD21 LEU 51 6.756 3.371 1.551 424 2HD2 LEU 51 HD22 LEU 51 7.349 2.079 0.509 425 3HD2 LEU 51 HD23 LEU 51 5.714 2.699 0.298 426 H GLU 52 HN GLU 52 11.141 6.165 0.158 427 HA GLU 52 HA GLU 52 13.113 4.413 1.208 428 1HB GLU 52 HB2 GLU 52 13.247 6.137 -0.741 429 2HB GLU 52 HB1 GLU 52 13.643 7.293 0.528 430 1HG GLU 52 HG2 GLU 52 15.532 5.845 1.199 431 2HG GLU 52 HG1 GLU 52 15.169 4.793 -0.170 432 H LYS 53 HN LYS 53 11.761 7.470 2.175 433 HA LYS 53 HA LYS 53 13.407 8.091 4.333 434 1HB LYS 53 HB2 LYS 53 10.459 8.702 4.184 435 2HB LYS 53 HB1 LYS 53 11.709 9.620 5.013 436 1HG LYS 53 HG2 LYS 53 11.826 9.203 2.059 437 2HG LYS 53 HG1 LYS 53 10.831 10.483 2.754 438 1HD LYS 53 HD2 LYS 53 13.742 10.156 3.433 439 2HD LYS 53 HD1 LYS 53 13.200 11.104 2.044 440 1HE LYS 53 HE2 LYS 53 11.897 11.625 4.639 441 2HE LYS 53 HE1 LYS 53 13.567 12.166 4.465 442 1HZ LYS 53 HZ1 LYS 53 11.322 12.878 2.651 443 2HZ LYS 53 HZ2 LYS 53 12.918 13.419 2.508 444 3HZ LYS 53 HZ3 LYS 53 11.982 13.889 3.837 445 H LYS 54 HN LYS 54 10.665 5.881 4.127 446 HA LYS 54 HA LYS 54 10.463 5.468 6.959 447 1HB LYS 54 HB2 LYS 54 9.484 3.448 4.977 448 2HB LYS 54 HB1 LYS 54 8.745 3.984 6.477 449 1HG LYS 54 HG2 LYS 54 8.903 5.604 3.948 450 2HG LYS 54 HG1 LYS 54 7.481 4.728 4.513 451 1HD LYS 54 HD2 LYS 54 8.439 6.361 6.637 452 2HD LYS 54 HD1 LYS 54 8.319 7.353 5.182 453 1HE LYS 54 HE2 LYS 54 6.035 6.912 4.936 454 2HE LYS 54 HE1 LYS 54 6.109 5.516 6.008 455 1HZ LYS 54 HZ1 LYS 54 6.409 6.959 7.880 456 2HZ LYS 54 HZ2 LYS 54 5.052 7.489 7.020 457 3HZ LYS 54 HZ3 LYS 54 6.516 8.324 6.886 458 H GLY 55 HN GLY 55 11.405 3.364 4.280 459 1HA GLY 55 HA2 GLY 55 13.810 2.482 5.403 460 2HA GLY 55 HA1 GLY 55 12.552 1.328 5.825 461 H VAL 56 HN VAL 56 11.284 2.252 3.130 462 HA VAL 56 HA VAL 56 12.192 0.075 1.581 463 HB VAL 56 HB VAL 56 10.722 2.486 0.511 464 1HG1 VAL 56 HG11 VAL 56 10.365 -0.381 -0.292 465 2HG1 VAL 56 HG12 VAL 56 11.604 0.637 -1.016 466 3HG1 VAL 56 HG13 VAL 56 9.906 1.076 -1.163 467 1HG2 VAL 56 HG21 VAL 56 8.655 1.049 1.046 468 2HG2 VAL 56 HG22 VAL 56 9.395 1.957 2.368 469 3HG2 VAL 56 HG23 VAL 56 9.706 0.227 2.196 470 H LEU 57 HN LEU 57 14.463 0.410 1.564 471 HA LEU 57 HA LEU 57 15.536 2.700 0.137 472 1HB LEU 57 HB2 LEU 57 16.642 0.462 1.759 473 2HB LEU 57 HB1 LEU 57 17.708 1.283 0.636 474 HG LEU 57 HG LEU 57 17.769 3.212 1.878 475 1HD1 LEU 57 HD11 LEU 57 15.954 3.711 3.626 476 2HD1 LEU 57 HD12 LEU 57 15.006 2.487 2.782 477 3HD1 LEU 57 HD13 LEU 57 15.553 3.924 1.924 478 1HD2 LEU 57 HD21 LEU 57 18.635 1.338 3.226 479 2HD2 LEU 57 HD22 LEU 57 17.051 1.187 3.990 480 3HD2 LEU 57 HD23 LEU 57 18.005 2.655 4.215 481 H ALA 58 HN ALA 58 13.930 0.503 -1.187 482 HA ALA 58 HA ALA 58 15.942 -0.342 -3.173 483 1HB ALA 58 HB1 ALA 58 14.905 -2.334 -3.411 484 2HB ALA 58 HB2 ALA 58 13.304 -1.647 -3.131 485 3HB ALA 58 HB3 ALA 58 14.370 -1.989 -1.764 486 H LEU 59 HN LEU 59 15.914 1.032 -4.823 487 HA LEU 59 HA LEU 59 13.855 2.685 -5.630 488 1HB LEU 59 HB2 LEU 59 16.205 1.472 -7.016 489 2HB LEU 59 HB1 LEU 59 14.985 2.253 -8.002 490 HG LEU 59 HG LEU 59 16.886 3.733 -7.458 491 1HD1 LEU 59 HD11 LEU 59 15.520 5.644 -6.719 492 2HD1 LEU 59 HD12 LEU 59 14.221 4.522 -6.307 493 3HD1 LEU 59 HD13 LEU 59 14.736 4.696 -7.984 494 1HD2 LEU 59 HD21 LEU 59 17.181 4.575 -5.209 495 2HD2 LEU 59 HD22 LEU 59 17.357 2.820 -5.216 496 3HD2 LEU 59 HD23 LEU 59 15.868 3.554 -4.624 497 H GLY 60 HN GLY 60 14.387 -0.687 -6.120 498 1HA GLY 60 HA2 GLY 60 12.422 -1.045 -8.154 499 2HA GLY 60 HA1 GLY 60 13.202 -2.313 -7.229 500 H ALA 61 HN ALA 61 12.471 -1.475 -4.642 501 HA ALA 61 HA ALA 61 9.852 -2.584 -4.504 502 1HB ALA 61 HB1 ALA 61 10.141 -2.611 -2.175 503 2HB ALA 61 HB2 ALA 61 11.339 -1.322 -2.222 504 3HB ALA 61 HB3 ALA 61 11.736 -2.921 -2.855 505 H ARG 62 HN ARG 62 11.127 0.645 -3.576 506 HA ARG 62 HA ARG 62 8.615 1.609 -2.775 507 1HB ARG 62 HB2 ARG 62 9.651 3.842 -2.819 508 2HB ARG 62 HB1 ARG 62 10.601 2.659 -1.960 509 1HG ARG 62 HG2 ARG 62 11.974 2.425 -4.071 510 2HG ARG 62 HG1 ARG 62 11.149 3.882 -4.629 511 1HD ARG 62 HD2 ARG 62 11.876 4.980 -2.483 512 2HD ARG 62 HD1 ARG 62 12.878 3.565 -2.184 513 HE ARG 62 HE ARG 62 13.944 4.183 -4.412 514 1HH1 ARG 62 HH11 ARG 62 12.519 6.524 -2.259 515 2HH1 ARG 62 HH12 ARG 62 13.577 7.806 -2.743 516 1HH2 ARG 62 HH21 ARG 62 15.356 5.874 -5.041 517 2HH2 ARG 62 HH22 ARG 62 15.183 7.439 -4.323 518 H ARG 63 HN ARG 63 10.451 2.503 -5.684 519 HA ARG 63 HA ARG 63 8.518 4.006 -6.921 520 1HB ARG 63 HB2 ARG 63 10.448 2.084 -8.232 521 2HB ARG 63 HB1 ARG 63 9.538 3.318 -9.088 522 1HG ARG 63 HG2 ARG 63 10.671 5.050 -7.780 523 2HG ARG 63 HG1 ARG 63 11.601 3.801 -6.949 524 1HD ARG 63 HD2 ARG 63 12.929 4.763 -8.726 525 2HD ARG 63 HD1 ARG 63 12.533 3.091 -9.115 526 HE ARG 63 HE ARG 63 10.749 5.085 -10.223 527 1HH1 ARG 63 HH11 ARG 63 13.565 3.088 -10.706 528 2HH1 ARG 63 HH12 ARG 63 13.495 3.186 -12.434 529 1HH2 ARG 63 HH21 ARG 63 10.650 5.219 -12.496 530 2HH2 ARG 63 HH22 ARG 63 11.838 4.396 -13.453 531 H LYS 64 HN LYS 64 8.639 0.596 -6.383 532 HA LYS 64 HA LYS 64 6.631 -0.112 -8.330 533 1HB LYS 64 HB2 LYS 64 8.401 -1.682 -7.599 534 2HB LYS 64 HB1 LYS 64 7.703 -1.686 -5.981 535 1HG LYS 64 HG2 LYS 64 7.023 -3.669 -7.156 536 2HG LYS 64 HG1 LYS 64 5.620 -2.622 -6.936 537 1HD LYS 64 HD2 LYS 64 5.662 -1.932 -9.200 538 2HD LYS 64 HD1 LYS 64 7.270 -2.614 -9.454 539 1HE LYS 64 HE2 LYS 64 5.529 -4.002 -10.469 540 2HE LYS 64 HE1 LYS 64 6.378 -4.861 -9.184 541 1HZ LYS 64 HZ1 LYS 64 4.543 -4.376 -7.694 542 2HZ LYS 64 HZ2 LYS 64 3.992 -5.208 -9.059 543 3HZ LYS 64 HZ3 LYS 64 3.731 -3.543 -8.923 544 H LEU 65 HN LEU 65 6.742 0.345 -4.816 545 HA LEU 65 HA LEU 65 4.159 -0.433 -4.198 546 1HB LEU 65 HB2 LEU 65 6.176 1.339 -2.973 547 2HB LEU 65 HB1 LEU 65 4.520 1.581 -2.444 548 HG LEU 65 HG LEU 65 5.285 -1.224 -2.479 549 1HD1 LEU 65 HD11 LEU 65 6.958 0.745 -0.994 550 2HD1 LEU 65 HD12 LEU 65 7.429 -0.731 -1.841 551 3HD1 LEU 65 HD13 LEU 65 6.614 -0.831 -0.281 552 1HD2 LEU 65 HD21 LEU 65 4.355 -1.085 -0.183 553 2HD2 LEU 65 HD22 LEU 65 3.265 -0.471 -1.426 554 3HD2 LEU 65 HD23 LEU 65 4.164 0.653 -0.407 555 H LEU 66 HN LEU 66 5.302 2.366 -5.846 556 HA LEU 66 HA LEU 66 3.146 4.112 -5.423 557 1HB LEU 66 HB2 LEU 66 5.230 3.826 -7.545 558 2HB LEU 66 HB1 LEU 66 3.889 4.925 -7.812 559 HG LEU 66 HG LEU 66 5.338 5.187 -5.236 560 1HD1 LEU 66 HD11 LEU 66 6.581 5.598 -7.894 561 2HD1 LEU 66 HD12 LEU 66 7.313 5.147 -6.352 562 3HD1 LEU 66 HD13 LEU 66 6.861 6.824 -6.658 563 1HD2 LEU 66 HD21 LEU 66 4.914 7.559 -5.656 564 2HD2 LEU 66 HD22 LEU 66 3.433 6.609 -5.765 565 3HD2 LEU 66 HD23 LEU 66 4.237 7.159 -7.235 566 H LYS 67 HN LYS 67 3.449 1.237 -7.269 567 HA LYS 67 HA LYS 67 1.266 1.726 -9.053 568 1HB LYS 67 HB2 LYS 67 2.843 -0.709 -8.317 569 2HB LYS 67 HB1 LYS 67 1.385 -0.833 -9.287 570 1HG LYS 67 HG2 LYS 67 2.784 1.246 -10.449 571 2HG LYS 67 HG1 LYS 67 4.016 0.064 -10.039 572 1HD LYS 67 HD2 LYS 67 3.021 -0.175 -12.316 573 2HD LYS 67 HD1 LYS 67 2.932 -1.628 -11.325 574 1HE LYS 67 HE2 LYS 67 0.839 -1.271 -12.502 575 2HE LYS 67 HE1 LYS 67 0.610 -1.068 -10.766 576 1HZ LYS 67 HZ1 LYS 67 0.707 1.327 -11.068 577 2HZ LYS 67 HZ2 LYS 67 -0.524 0.658 -12.015 578 3HZ LYS 67 HZ3 LYS 67 0.930 1.133 -12.734 579 H ALA 68 HN ALA 68 1.763 0.145 -5.969 580 HA ALA 68 HA ALA 68 -0.880 -0.913 -5.739 581 1HB ALA 68 HB1 ALA 68 -0.205 -1.176 -3.304 582 2HB ALA 68 HB2 ALA 68 1.362 -0.511 -3.770 583 3HB ALA 68 HB3 ALA 68 0.791 -2.016 -4.490 584 H PHE 69 HN PHE 69 0.747 2.019 -4.734 585 HA PHE 69 HA PHE 69 -1.110 3.067 -2.959 586 1HB PHE 69 HB2 PHE 69 0.753 4.427 -4.908 587 2HB PHE 69 HB1 PHE 69 -0.170 5.289 -3.694 588 HD1 PHE 69 HD1 PHE 69 0.518 2.420 -2.010 589 HD2 PHE 69 HD2 PHE 69 2.562 5.788 -3.627 590 HE1 PHE 69 HE1 PHE 69 2.332 2.097 -0.387 591 HE2 PHE 69 HE2 PHE 69 4.378 5.467 -2.001 592 HZ PHE 69 HZ PHE 69 4.261 3.625 -0.368 593 H GLY 70 HN GLY 70 -0.988 3.262 -6.495 594 1HA GLY 70 HA2 GLY 70 -3.177 5.084 -6.691 595 2HA GLY 70 HA1 GLY 70 -2.447 4.199 -8.016 596 H ILE 71 HN ILE 71 -2.930 1.602 -7.422 597 HA ILE 71 HA ILE 71 -5.558 1.223 -8.230 598 HB ILE 71 HB ILE 71 -3.861 -0.747 -6.690 599 1HG1 ILE 71 HG12 ILE 71 -4.119 -0.736 -9.666 600 2HG1 ILE 71 HG11 ILE 71 -3.030 0.426 -8.916 601 1HG2 ILE 71 HG21 ILE 71 -6.063 -1.298 -8.670 602 2HG2 ILE 71 HG22 ILE 71 -6.304 -1.281 -6.925 603 3HG2 ILE 71 HG23 ILE 71 -5.212 -2.460 -7.652 604 1HD1 ILE 71 HD11 ILE 71 -2.910 -2.546 -8.496 605 2HD1 ILE 71 HD12 ILE 71 -1.764 -1.339 -7.907 606 3HD1 ILE 71 HD13 ILE 71 -1.916 -1.643 -9.638 607 H VAL 72 HN VAL 72 -4.210 1.452 -4.998 608 HA VAL 72 HA VAL 72 -6.578 0.561 -3.650 609 HB VAL 72 HB VAL 72 -4.308 2.250 -2.586 610 1HG1 VAL 72 HG11 VAL 72 -5.086 1.538 -0.374 611 2HG1 VAL 72 HG12 VAL 72 -6.451 0.716 -1.115 612 3HG1 VAL 72 HG13 VAL 72 -6.315 2.467 -1.229 613 1HG2 VAL 72 HG21 VAL 72 -3.771 -0.075 -3.485 614 2HG2 VAL 72 HG22 VAL 72 -4.706 -0.688 -2.124 615 3HG2 VAL 72 HG23 VAL 72 -3.273 0.291 -1.836 616 H ILE 73 HN ILE 73 -5.151 3.703 -4.405 617 HA ILE 73 HA ILE 73 -7.011 5.347 -3.148 618 HB ILE 73 HB ILE 73 -5.229 5.748 -5.536 619 1HG1 ILE 73 HG12 ILE 73 -5.261 7.117 -2.845 620 2HG1 ILE 73 HG11 ILE 73 -4.336 5.659 -3.179 621 1HG2 ILE 73 HG21 ILE 73 -5.918 8.264 -5.075 622 2HG2 ILE 73 HG22 ILE 73 -7.429 7.499 -4.581 623 3HG2 ILE 73 HG23 ILE 73 -6.807 7.251 -6.211 624 1HD1 ILE 73 HD11 ILE 73 -3.967 8.062 -4.902 625 2HD1 ILE 73 HD12 ILE 73 -2.838 6.759 -4.524 626 3HD1 ILE 73 HD13 ILE 73 -3.204 7.988 -3.314 627 H ASP 74 HN ASP 74 -6.928 4.387 -6.580 628 HA ASP 74 HA ASP 74 -9.260 5.574 -7.432 629 1HB ASP 74 HB2 ASP 74 -7.621 4.395 -8.900 630 2HB ASP 74 HB1 ASP 74 -8.241 2.857 -8.308 631 H TYR 75 HN TYR 75 -8.960 2.187 -6.273 632 HA TYR 75 HA TYR 75 -11.720 1.672 -6.280 633 1HB TYR 75 HB2 TYR 75 -9.395 0.427 -4.822 634 2HB TYR 75 HB1 TYR 75 -11.044 -0.169 -4.627 635 HD1 TYR 75 HD1 TYR 75 -12.169 0.027 -7.258 636 HD2 TYR 75 HD2 TYR 75 -8.241 -1.139 -6.146 637 HE1 TYR 75 HE1 TYR 75 -11.982 -1.269 -9.335 638 HE2 TYR 75 HE2 TYR 75 -8.036 -2.440 -8.222 639 HH TYR 75 HH TYR 75 -10.226 -2.147 -10.803 640 H LYS 76 HN LYS 76 -9.627 3.217 -3.973 641 HA LYS 76 HA LYS 76 -11.482 3.291 -1.812 642 1HB LYS 76 HB2 LYS 76 -9.291 3.685 -1.120 643 2HB LYS 76 HB1 LYS 76 -8.922 4.670 -2.519 644 1HG LYS 76 HG2 LYS 76 -10.908 6.021 -1.004 645 2HG LYS 76 HG1 LYS 76 -9.623 5.500 0.088 646 1HD LYS 76 HD2 LYS 76 -8.373 6.470 -2.246 647 2HD LYS 76 HD1 LYS 76 -9.612 7.646 -1.802 648 1HE LYS 76 HE2 LYS 76 -7.560 6.542 0.110 649 2HE LYS 76 HE1 LYS 76 -7.367 8.053 -0.780 650 1HZ LYS 76 HZ1 LYS 76 -8.204 8.508 1.406 651 2HZ LYS 76 HZ2 LYS 76 -9.491 7.433 1.199 652 3HZ LYS 76 HZ3 LYS 76 -9.419 8.851 0.281 653 H GLU 77 HN GLU 77 -10.797 5.203 -4.613 654 HA GLU 77 HA GLU 77 -12.423 7.449 -3.943 655 1HB GLU 77 HB2 GLU 77 -11.012 6.505 -6.426 656 2HB GLU 77 HB1 GLU 77 -12.036 7.922 -6.444 657 1HG GLU 77 HG2 GLU 77 -10.532 8.637 -4.412 658 2HG GLU 77 HG1 GLU 77 -9.406 7.498 -5.143 659 H ARG 78 HN ARG 78 -12.872 4.387 -5.508 660 HA ARG 78 HA ARG 78 -15.445 5.151 -6.641 661 1HB ARG 78 HB2 ARG 78 -13.747 2.669 -6.792 662 2HB ARG 78 HB1 ARG 78 -15.389 2.711 -7.409 663 1HG ARG 78 HG2 ARG 78 -14.777 4.511 -8.939 664 2HG ARG 78 HG1 ARG 78 -13.130 4.486 -8.307 665 1HD ARG 78 HD2 ARG 78 -13.223 3.256 -10.384 666 2HD ARG 78 HD1 ARG 78 -12.907 2.149 -9.049 667 HE ARG 78 HE ARG 78 -15.670 2.243 -9.504 668 1HH1 ARG 78 HH11 ARG 78 -12.752 1.116 -11.044 669 2HH1 ARG 78 HH12 ARG 78 -13.548 -0.157 -11.907 670 1HH2 ARG 78 HH21 ARG 78 -16.722 0.568 -10.637 671 2HH2 ARG 78 HH22 ARG 78 -15.802 -0.468 -11.677 672 H ASP 79 HN ASP 79 -14.651 4.668 -3.666 673 HA ASP 79 HA ASP 79 -15.646 3.894 -1.774 674 1HB ASP 79 HB2 ASP 79 -17.583 5.111 -2.790 675 2HB ASP 79 HB1 ASP 79 -18.103 3.594 -3.514 676 H LEU 80 HN LEU 80 -14.453 2.019 -3.793 677 HA LEU 80 HA LEU 80 -15.940 -0.431 -3.475 678 1HB LEU 80 HB2 LEU 80 -13.728 0.503 -5.092 679 2HB LEU 80 HB1 LEU 80 -13.375 -1.062 -4.395 680 HG LEU 80 HG LEU 80 -15.817 -1.607 -5.304 681 1HD1 LEU 80 HD11 LEU 80 -16.262 -0.488 -7.397 682 2HD1 LEU 80 HD12 LEU 80 -14.812 0.502 -7.208 683 3HD1 LEU 80 HD13 LEU 80 -16.171 0.703 -6.098 684 1HD2 LEU 80 HD21 LEU 80 -13.635 -2.690 -5.881 685 2HD2 LEU 80 HD22 LEU 80 -13.457 -1.483 -7.154 686 3HD2 LEU 80 HD23 LEU 80 -14.801 -2.621 -7.203 687 H ILE 81 HN ILE 81 -13.942 1.333 -1.535 688 HA ILE 81 HA ILE 81 -13.006 -1.038 -0.048 689 HB ILE 81 HB ILE 81 -11.939 1.791 -0.039 690 1HG1 ILE 81 HG12 ILE 81 -10.686 -0.822 -0.920 691 2HG1 ILE 81 HG11 ILE 81 -11.306 0.425 -1.997 692 1HG2 ILE 81 HG21 ILE 81 -10.904 -0.577 1.519 693 2HG2 ILE 81 HG22 ILE 81 -11.917 0.690 2.213 694 3HG2 ILE 81 HG23 ILE 81 -10.315 1.083 1.583 695 1HD1 ILE 81 HD11 ILE 81 -9.043 0.813 -0.052 696 2HD1 ILE 81 HD12 ILE 81 -9.610 1.961 -1.262 697 3HD1 ILE 81 HD13 ILE 81 -8.855 0.451 -1.768 698 H ASP 82 HN ASP 82 -13.772 -1.365 1.953 699 HA ASP 82 HA ASP 82 -16.040 -0.061 2.890 700 1HB ASP 82 HB2 ASP 82 -14.912 -2.352 3.560 701 2HB ASP 82 HB1 ASP 82 -14.178 -1.366 4.826 702 H ARG 83 HN ARG 83 -16.400 1.674 4.132 703 HA ARG 83 HA ARG 83 -14.396 3.595 4.523 704 1HB ARG 83 HB2 ARG 83 -17.175 3.305 5.646 705 2HB ARG 83 HB1 ARG 83 -16.141 4.664 6.066 706 1HG ARG 83 HG2 ARG 83 -16.913 3.925 3.251 707 2HG ARG 83 HG1 ARG 83 -17.737 5.141 4.228 708 1HD ARG 83 HD2 ARG 83 -15.920 6.586 4.193 709 2HD ARG 83 HD1 ARG 83 -14.777 5.300 3.812 710 HE ARG 83 HE ARG 83 -15.277 5.541 1.574 711 1HH1 ARG 83 HH11 ARG 83 -17.521 7.389 3.498 712 2HH1 ARG 83 HH12 ARG 83 -18.169 8.252 2.144 713 1HH2 ARG 83 HH21 ARG 83 -16.123 6.677 -0.213 714 2HH2 ARG 83 HH22 ARG 83 -17.375 7.847 0.035 715 H SER 84 HN SER 84 -15.084 0.777 6.212 716 HA SER 84 HA SER 84 -14.402 1.516 8.849 717 1HB SER 84 HB2 SER 84 -14.144 -1.154 7.441 718 2HB SER 84 HB1 SER 84 -13.975 -0.915 9.180 719 HG SER 84 HG SER 84 -16.129 -0.189 9.224 720 H ALA 85 HN ALA 85 -12.507 0.503 6.053 721 HA ALA 85 HA ALA 85 -10.027 0.161 7.329 722 1HB ALA 85 HB1 ALA 85 -9.071 0.685 5.043 723 2HB ALA 85 HB2 ALA 85 -10.730 0.939 4.501 724 3HB ALA 85 HB3 ALA 85 -10.229 -0.638 5.106 725 H TYR 86 HN TYR 86 -11.602 2.964 5.921 726 HA TYR 86 HA TYR 86 -9.618 4.858 5.984 727 1HB TYR 86 HB2 TYR 86 -12.552 5.142 6.626 728 2HB TYR 86 HB1 TYR 86 -11.471 6.520 6.512 729 HD1 TYR 86 HD1 TYR 86 -12.174 3.467 4.494 730 HD2 TYR 86 HD2 TYR 86 -11.605 7.674 4.526 731 HE1 TYR 86 HE1 TYR 86 -12.552 3.524 2.064 732 HE2 TYR 86 HE2 TYR 86 -11.978 7.753 2.096 733 HH TYR 86 HH TYR 86 -13.268 5.150 0.353 Start of MODEL 6 1 1H SER 1 HT1 SER 1 8.931 -14.636 -4.668 2 2H SER 1 HT2 SER 1 7.765 -14.580 -3.443 3 3H SER 1 HT3 SER 1 9.409 -14.504 -3.050 4 HA SER 1 HA SER 1 8.372 -12.335 -2.890 5 1HB SER 1 HB2 SER 1 10.333 -12.632 -5.180 6 2HB SER 1 HB1 SER 1 9.977 -11.123 -4.342 7 HG SER 1 HG SER 1 11.180 -13.459 -3.281 8 H ASN 2 HN ASN 2 6.130 -12.707 -3.610 9 HA ASN 2 HA ASN 2 5.648 -11.914 -6.397 10 1HB ASN 2 HB2 ASN 2 4.558 -13.995 -5.604 11 2HB ASN 2 HB1 ASN 2 3.713 -13.062 -4.372 12 1HD2 ASN 2 HD21 ASN 2 3.965 -13.787 -7.755 13 2HD2 ASN 2 HD22 ASN 2 2.467 -13.070 -8.230 14 H SER 3 HN SER 3 5.763 -9.723 -6.434 15 HA SER 3 HA SER 3 4.374 -8.178 -4.381 16 1HB SER 3 HB2 SER 3 5.510 -6.238 -5.322 17 2HB SER 3 HB1 SER 3 6.676 -7.526 -5.026 18 HG SER 3 HG SER 3 6.709 -7.979 -7.203 19 H SER 4 HN SER 4 2.931 -9.732 -6.456 20 HA SER 4 HA SER 4 1.908 -8.054 -8.457 21 1HB SER 4 HB2 SER 4 0.550 -10.378 -7.070 22 2HB SER 4 HB1 SER 4 0.039 -9.657 -8.595 23 HG SER 4 HG SER 4 2.010 -10.313 -9.503 24 H MET 5 HN MET 5 0.664 -6.308 -8.332 25 HA MET 5 HA MET 5 -0.421 -5.417 -5.852 26 1HB MET 5 HB2 MET 5 -0.440 -4.393 -8.659 27 2HB MET 5 HB1 MET 5 -1.552 -3.700 -7.487 28 1HG MET 5 HG2 MET 5 0.494 -2.398 -7.655 29 2HG MET 5 HG1 MET 5 0.305 -3.097 -6.046 30 1HE MET 5 HE1 MET 5 4.092 -3.302 -6.139 31 2HE MET 5 HE2 MET 5 2.636 -2.596 -5.436 32 3HE MET 5 HE3 MET 5 3.251 -1.998 -6.975 33 H ASN 6 HN ASN 6 -1.783 -7.277 -5.374 34 HA ASN 6 HA ASN 6 -4.008 -7.996 -6.967 35 1HB ASN 6 HB2 ASN 6 -3.562 -8.347 -3.991 36 2HB ASN 6 HB1 ASN 6 -4.807 -9.159 -4.937 37 1HD2 ASN 6 HD21 ASN 6 -4.197 -10.731 -6.452 38 2HD2 ASN 6 HD22 ASN 6 -2.665 -11.523 -6.358 39 HA PRO 7 HA PRO 7 -6.260 -4.179 -5.967 40 1HB PRO 7 HB2 PRO 7 -8.319 -5.370 -7.706 41 2HB PRO 7 HB1 PRO 7 -7.481 -3.821 -7.844 42 1HG PRO 7 HG2 PRO 7 -6.968 -5.847 -9.527 43 2HG PRO 7 HG1 PRO 7 -5.700 -4.728 -8.993 44 1HD PRO 7 HD2 PRO 7 -6.301 -7.504 -8.047 45 2HD PRO 7 HD1 PRO 7 -4.731 -6.740 -8.364 46 H LYS 8 HN LYS 8 -7.031 -7.453 -5.414 47 HA LYS 8 HA LYS 8 -9.567 -6.968 -4.143 48 1HB LYS 8 HB2 LYS 8 -7.788 -9.412 -4.021 49 2HB LYS 8 HB1 LYS 8 -9.456 -9.326 -3.472 50 1HG LYS 8 HG2 LYS 8 -9.754 -10.279 -5.516 51 2HG LYS 8 HG1 LYS 8 -9.889 -8.575 -5.955 52 1HD LYS 8 HD2 LYS 8 -7.218 -8.937 -6.175 53 2HD LYS 8 HD1 LYS 8 -7.799 -10.546 -6.608 54 1HE LYS 8 HE2 LYS 8 -9.373 -9.410 -8.219 55 2HE LYS 8 HE1 LYS 8 -8.485 -7.918 -7.902 56 1HZ LYS 8 HZ1 LYS 8 -6.462 -9.024 -8.670 57 2HZ LYS 8 HZ2 LYS 8 -7.648 -9.000 -9.876 58 3HZ LYS 8 HZ3 LYS 8 -7.345 -10.425 -9.017 59 H SER 9 HN SER 9 -6.311 -7.847 -3.048 60 HA SER 9 HA SER 9 -6.971 -7.512 -0.282 61 1HB SER 9 HB2 SER 9 -4.369 -7.965 -1.743 62 2HB SER 9 HB1 SER 9 -4.456 -7.784 0.007 63 HG SER 9 HG SER 9 -6.193 -9.615 -1.157 64 H LEU 10 HN LEU 10 -5.297 -5.583 -2.718 65 HA LEU 10 HA LEU 10 -4.352 -3.590 -0.969 66 1HB LEU 10 HB2 LEU 10 -5.092 -3.303 -3.881 67 2HB LEU 10 HB1 LEU 10 -4.114 -2.187 -2.958 68 HG LEU 10 HG LEU 10 -3.366 -5.006 -3.720 69 1HD1 LEU 10 HD11 LEU 10 -2.361 -2.301 -4.565 70 2HD1 LEU 10 HD12 LEU 10 -3.113 -3.537 -5.571 71 3HD1 LEU 10 HD13 LEU 10 -1.511 -3.809 -4.893 72 1HD2 LEU 10 HD21 LEU 10 -2.448 -3.359 -1.552 73 2HD2 LEU 10 HD22 LEU 10 -1.148 -3.677 -2.694 74 3HD2 LEU 10 HD23 LEU 10 -2.021 -5.021 -1.958 75 H THR 11 HN THR 11 -7.498 -4.397 -1.785 76 HA THR 11 HA THR 11 -8.387 -1.704 -0.971 77 HB THR 11 HB THR 11 -10.191 -1.706 -2.497 78 HG1 THR 11 HG1 THR 11 -11.025 -3.698 -2.592 79 1HG2 THR 11 HG21 THR 11 -7.913 -1.262 -3.496 80 2HG2 THR 11 HG22 THR 11 -9.134 -1.806 -4.646 81 3HG2 THR 11 HG23 THR 11 -7.916 -2.934 -4.059 82 H ASP 12 HN ASP 12 -7.965 -4.407 0.380 83 HA ASP 12 HA ASP 12 -10.687 -4.744 1.450 84 1HB ASP 12 HB2 ASP 12 -9.468 -6.754 0.407 85 2HB ASP 12 HB1 ASP 12 -8.405 -6.686 1.810 86 HA PRO 13 HA PRO 13 -9.051 -2.238 4.800 87 1HB PRO 13 HB2 PRO 13 -11.312 -3.703 6.127 88 2HB PRO 13 HB1 PRO 13 -10.835 -2.006 6.282 89 1HG PRO 13 HG2 PRO 13 -12.854 -2.652 4.712 90 2HG PRO 13 HG1 PRO 13 -11.663 -1.441 4.179 91 1HD PRO 13 HD2 PRO 13 -12.012 -4.283 3.314 92 2HD PRO 13 HD1 PRO 13 -11.462 -2.878 2.382 93 H LYS 14 HN LYS 14 -9.448 -5.701 4.793 94 HA LYS 14 HA LYS 14 -8.425 -6.322 7.329 95 1HB LYS 14 HB2 LYS 14 -9.400 -7.925 5.591 96 2HB LYS 14 HB1 LYS 14 -7.821 -7.891 4.821 97 1HG LYS 14 HG2 LYS 14 -8.221 -8.688 7.690 98 2HG LYS 14 HG1 LYS 14 -8.269 -9.836 6.352 99 1HD LYS 14 HD2 LYS 14 -6.046 -9.969 6.378 100 2HD LYS 14 HD1 LYS 14 -5.930 -8.230 6.079 101 1HE LYS 14 HE2 LYS 14 -5.870 -7.729 8.360 102 2HE LYS 14 HE1 LYS 14 -6.426 -9.337 8.824 103 1HZ LYS 14 HZ1 LYS 14 -3.794 -8.692 7.609 104 2HZ LYS 14 HZ2 LYS 14 -4.321 -10.240 8.041 105 3HZ LYS 14 HZ3 LYS 14 -4.066 -9.070 9.236 106 H LEU 15 HN LEU 15 -6.738 -6.128 4.221 107 HA LEU 15 HA LEU 15 -4.124 -6.205 5.336 108 1HB LEU 15 HB2 LEU 15 -5.157 -5.375 2.631 109 2HB LEU 15 HB1 LEU 15 -3.466 -5.450 3.021 110 HG LEU 15 HG LEU 15 -4.095 -7.421 1.792 111 1HD1 LEU 15 HD11 LEU 15 -3.820 -9.014 4.032 112 2HD1 LEU 15 HD12 LEU 15 -3.090 -7.474 4.501 113 3HD1 LEU 15 HD13 LEU 15 -2.515 -8.325 3.063 114 1HD2 LEU 15 HD21 LEU 15 -5.747 -8.992 2.596 115 2HD2 LEU 15 HD22 LEU 15 -6.485 -7.402 2.385 116 3HD2 LEU 15 HD23 LEU 15 -6.070 -7.977 4.004 117 H LEU 16 HN LEU 16 -6.160 -3.675 3.993 118 HA LEU 16 HA LEU 16 -4.453 -1.534 4.085 119 1HB LEU 16 HB2 LEU 16 -7.368 -1.358 4.819 120 2HB LEU 16 HB1 LEU 16 -6.391 -0.166 3.992 121 HG LEU 16 HG LEU 16 -7.101 -2.845 2.822 122 1HD1 LEU 16 HD11 LEU 16 -8.915 -1.953 1.766 123 2HD1 LEU 16 HD12 LEU 16 -8.289 -0.310 1.839 124 3HD1 LEU 16 HD13 LEU 16 -8.970 -1.054 3.283 125 1HD2 LEU 16 HD21 LEU 16 -5.013 -1.475 2.087 126 2HD2 LEU 16 HD22 LEU 16 -6.202 -0.455 1.274 127 3HD2 LEU 16 HD23 LEU 16 -6.087 -2.167 0.873 128 H LYS 17 HN LYS 17 -6.529 -2.743 6.710 129 HA LYS 17 HA LYS 17 -5.650 -0.770 8.576 130 1HB LYS 17 HB2 LYS 17 -7.067 -3.409 8.996 131 2HB LYS 17 HB1 LYS 17 -6.780 -2.223 10.261 132 1HG LYS 17 HG2 LYS 17 -8.191 -0.635 9.189 133 2HG LYS 17 HG1 LYS 17 -8.326 -1.645 7.750 134 1HD LYS 17 HD2 LYS 17 -9.540 -3.322 8.980 135 2HD LYS 17 HD1 LYS 17 -9.297 -2.444 10.492 136 1HE LYS 17 HE2 LYS 17 -10.612 -0.588 9.640 137 2HE LYS 17 HE1 LYS 17 -10.832 -1.423 8.104 138 1HZ LYS 17 HZ1 LYS 17 -11.788 -2.425 10.733 139 2HZ LYS 17 HZ2 LYS 17 -12.064 -3.143 9.226 140 3HZ LYS 17 HZ3 LYS 17 -12.755 -1.642 9.586 141 H ASN 18 HN ASN 18 -4.538 -3.891 7.544 142 HA ASN 18 HA ASN 18 -2.451 -3.843 9.628 143 1HB ASN 18 HB2 ASN 18 -4.127 -5.917 9.136 144 2HB ASN 18 HB1 ASN 18 -2.857 -6.286 7.979 145 1HD2 ASN 18 HD21 ASN 18 -2.403 -8.173 9.188 146 2HD2 ASN 18 HD22 ASN 18 -1.476 -8.088 10.643 147 H ILE 19 HN ILE 19 -1.617 -2.127 8.079 148 HA ILE 19 HA ILE 19 -0.838 -2.396 5.528 149 HB ILE 19 HB ILE 19 0.696 -1.139 7.785 150 1HG1 ILE 19 HG12 ILE 19 -1.425 -0.070 7.128 151 2HG1 ILE 19 HG11 ILE 19 -0.048 0.944 6.735 152 1HG2 ILE 19 HG21 ILE 19 1.374 -0.713 4.890 153 2HG2 ILE 19 HG22 ILE 19 2.181 -1.940 5.861 154 3HG2 ILE 19 HG23 ILE 19 2.290 -0.243 6.320 155 1HD1 ILE 19 HD11 ILE 19 -1.373 1.137 4.864 156 2HD1 ILE 19 HD12 ILE 19 -1.850 -0.559 4.883 157 3HD1 ILE 19 HD13 ILE 19 -0.220 -0.104 4.386 158 HA PRO 20 HA PRO 20 3.300 -4.816 6.947 159 1HB PRO 20 HB2 PRO 20 1.693 -6.420 8.915 160 2HB PRO 20 HB1 PRO 20 3.428 -6.060 8.919 161 1HG PRO 20 HG2 PRO 20 1.803 -4.717 10.514 162 2HG PRO 20 HG1 PRO 20 3.103 -3.873 9.658 163 1HD PRO 20 HD2 PRO 20 0.172 -3.868 9.134 164 2HD PRO 20 HD1 PRO 20 1.368 -2.583 8.876 165 H MET 21 HN MET 21 0.087 -6.225 7.356 166 HA MET 21 HA MET 21 0.578 -8.567 5.827 167 1HB MET 21 HB2 MET 21 -1.228 -7.969 7.644 168 2HB MET 21 HB1 MET 21 -2.157 -7.424 6.254 169 1HG MET 21 HG2 MET 21 -2.617 -9.753 7.034 170 2HG MET 21 HG1 MET 21 -2.226 -9.585 5.325 171 1HE MET 21 HE1 MET 21 -0.594 -10.008 8.777 172 2HE MET 21 HE2 MET 21 0.841 -9.406 7.944 173 3HE MET 21 HE3 MET 21 0.773 -11.083 8.485 174 H TRP 22 HN TRP 22 -0.978 -5.456 5.176 175 HA TRP 22 HA TRP 22 -1.871 -5.814 2.606 176 1HB TRP 22 HB2 TRP 22 -2.208 -3.786 3.997 177 2HB TRP 22 HB1 TRP 22 -0.532 -3.343 3.745 178 HD1 TRP 22 HD1 TRP 22 -3.826 -3.713 1.774 179 HE1 TRP 22 HE1 TRP 22 -3.697 -2.175 -0.284 180 HE3 TRP 22 HE3 TRP 22 1.014 -2.111 2.260 181 HZ2 TRP 22 HZ2 TRP 22 -1.805 -0.525 -1.549 182 HZ3 TRP 22 HZ3 TRP 22 1.905 -0.554 0.563 183 HH2 TRP 22 HH2 TRP 22 0.522 0.227 -1.292 184 H LEU 23 HN LEU 23 1.350 -5.189 3.799 185 HA LEU 23 HA LEU 23 2.569 -4.920 1.230 186 1HB LEU 23 HB2 LEU 23 3.639 -5.313 4.019 187 2HB LEU 23 HB1 LEU 23 4.674 -5.185 2.616 188 HG LEU 23 HG LEU 23 2.740 -3.048 3.493 189 1HD1 LEU 23 HD11 LEU 23 5.108 -1.930 3.908 190 2HD1 LEU 23 HD12 LEU 23 5.560 -3.609 4.218 191 3HD1 LEU 23 HD13 LEU 23 4.270 -2.853 5.153 192 1HD2 LEU 23 HD21 LEU 23 3.797 -1.653 1.876 193 2HD2 LEU 23 HD22 LEU 23 3.332 -3.148 1.063 194 3HD2 LEU 23 HD23 LEU 23 5.012 -2.881 1.525 195 H LYS 24 HN LYS 24 1.846 -7.536 3.424 196 HA LYS 24 HA LYS 24 3.622 -9.471 2.582 197 1HB LYS 24 HB2 LYS 24 1.424 -9.370 4.270 198 2HB LYS 24 HB1 LYS 24 0.944 -10.526 3.042 199 1HG LYS 24 HG2 LYS 24 3.543 -10.694 4.529 200 2HG LYS 24 HG1 LYS 24 2.057 -11.463 5.089 201 1HD LYS 24 HD2 LYS 24 2.923 -13.193 3.910 202 2HD LYS 24 HD1 LYS 24 2.061 -12.391 2.601 203 1HE LYS 24 HE2 LYS 24 4.176 -11.167 2.074 204 2HE LYS 24 HE1 LYS 24 4.995 -12.189 3.256 205 1HZ LYS 24 HZ1 LYS 24 5.270 -13.064 1.033 206 2HZ LYS 24 HZ2 LYS 24 3.594 -13.134 0.813 207 3HZ LYS 24 HZ3 LYS 24 4.339 -14.132 1.958 208 H SER 25 HN SER 25 0.466 -8.554 1.248 209 HA SER 25 HA SER 25 0.487 -10.500 -0.830 210 1HB SER 25 HB2 SER 25 -1.112 -7.957 -0.438 211 2HB SER 25 HB1 SER 25 -1.338 -9.031 -1.819 212 HG SER 25 HG SER 25 -1.782 -10.710 -0.289 213 H LEU 26 HN LEU 26 2.217 -7.698 -0.319 214 HA LEU 26 HA LEU 26 2.854 -7.401 -3.184 215 1HB LEU 26 HB2 LEU 26 3.339 -5.346 -1.034 216 2HB LEU 26 HB1 LEU 26 3.418 -5.122 -2.771 217 HG LEU 26 HG LEU 26 0.874 -5.761 -1.294 218 1HD1 LEU 26 HD11 LEU 26 0.317 -3.402 -1.503 219 2HD1 LEU 26 HD12 LEU 26 1.894 -3.077 -2.220 220 3HD1 LEU 26 HD13 LEU 26 1.780 -3.611 -0.543 221 1HD2 LEU 26 HD21 LEU 26 0.244 -4.454 -3.610 222 2HD2 LEU 26 HD22 LEU 26 0.213 -6.202 -3.382 223 3HD2 LEU 26 HD23 LEU 26 1.630 -5.433 -4.097 224 H ARG 27 HN ARG 27 3.871 -9.079 -0.810 225 HA ARG 27 HA ARG 27 5.773 -9.811 0.146 226 1HB ARG 27 HB2 ARG 27 7.622 -10.294 -1.375 227 2HB ARG 27 HB1 ARG 27 6.065 -10.752 -2.041 228 1HG ARG 27 HG2 ARG 27 7.166 -9.823 -3.834 229 2HG ARG 27 HG1 ARG 27 6.159 -8.500 -3.259 230 1HD ARG 27 HD2 ARG 27 7.999 -7.418 -2.239 231 2HD ARG 27 HD1 ARG 27 9.021 -8.844 -2.405 232 HE ARG 27 HE ARG 27 8.807 -8.405 -4.891 233 1HH1 ARG 27 HH11 ARG 27 8.629 -5.866 -2.507 234 2HH1 ARG 27 HH12 ARG 27 9.216 -4.642 -3.582 235 1HH2 ARG 27 HH21 ARG 27 9.581 -6.799 -6.308 236 2HH2 ARG 27 HH22 ARG 27 9.755 -5.171 -5.742 237 H LEU 28 HN LEU 28 5.372 -6.742 0.049 238 HA LEU 28 HA LEU 28 8.157 -5.926 0.559 239 1HB LEU 28 HB2 LEU 28 5.589 -4.348 0.280 240 2HB LEU 28 HB1 LEU 28 7.103 -3.627 0.788 241 HG LEU 28 HG LEU 28 7.416 -5.116 -1.684 242 1HD1 LEU 28 HD11 LEU 28 6.150 -3.429 -3.054 243 2HD1 LEU 28 HD12 LEU 28 5.320 -2.961 -1.568 244 3HD1 LEU 28 HD13 LEU 28 5.161 -4.604 -2.188 245 1HD2 LEU 28 HD21 LEU 28 8.055 -2.626 -2.315 246 2HD2 LEU 28 HD22 LEU 28 9.110 -3.632 -1.323 247 3HD2 LEU 28 HD23 LEU 28 8.053 -2.442 -0.562 248 H HIS 29 HN HIS 29 6.298 -7.647 2.308 249 HA HIS 29 HA HIS 29 5.726 -6.204 4.660 250 1HB HIS 29 HB2 HIS 29 5.914 -8.426 5.810 251 2HB HIS 29 HB1 HIS 29 4.851 -8.451 4.404 252 HD1 HIS 29 HD1 HIS 29 6.036 -9.433 2.148 253 HD2 HIS 29 HD2 HIS 29 7.847 -10.337 5.777 254 HE1 HIS 29 HE1 HIS 29 7.548 -11.387 1.677 255 HE2 HIS 29 HE2 HIS 29 8.600 -11.946 3.897 256 H LYS 30 HN LYS 30 8.513 -7.044 3.085 257 HA LYS 30 HA LYS 30 10.484 -7.298 5.035 258 1HB LYS 30 HB2 LYS 30 11.866 -6.134 3.119 259 2HB LYS 30 HB1 LYS 30 11.203 -7.736 2.855 260 1HG LYS 30 HG2 LYS 30 9.424 -6.847 1.557 261 2HG LYS 30 HG1 LYS 30 9.836 -5.198 2.019 262 1HD LYS 30 HD2 LYS 30 11.629 -5.111 0.614 263 2HD LYS 30 HD1 LYS 30 11.905 -6.852 0.663 264 1HE LYS 30 HE2 LYS 30 9.791 -7.111 -0.649 265 2HE LYS 30 HE1 LYS 30 9.761 -5.360 -0.833 266 1HZ LYS 30 HZ1 LYS 30 11.916 -7.173 -1.776 267 2HZ LYS 30 HZ2 LYS 30 11.924 -5.489 -1.925 268 3HZ LYS 30 HZ3 LYS 30 10.766 -6.404 -2.751 269 H TYR 31 HN TYR 31 8.844 -4.590 3.644 270 HA TYR 31 HA TYR 31 10.291 -2.675 5.320 271 1HB TYR 31 HB2 TYR 31 8.557 -2.314 2.876 272 2HB TYR 31 HB1 TYR 31 9.271 -0.988 3.792 273 HD1 TYR 31 HD1 TYR 31 9.593 -2.632 0.888 274 HD2 TYR 31 HD2 TYR 31 11.975 -1.674 4.276 275 HE1 TYR 31 HE1 TYR 31 11.629 -2.867 -0.479 276 HE2 TYR 31 HE2 TYR 31 14.016 -1.896 2.919 277 HH TYR 31 HH TYR 31 13.953 -2.086 -0.471 278 H SER 32 HN SER 32 8.037 -4.572 6.033 279 HA SER 32 HA SER 32 5.662 -3.147 6.416 280 1HB SER 32 HB2 SER 32 5.424 -5.442 6.758 281 2HB SER 32 HB1 SER 32 6.885 -5.546 7.742 282 HG SER 32 HG SER 32 5.733 -5.146 9.445 283 H ASP 33 HN ASP 33 8.454 -3.611 8.533 284 HA ASP 33 HA ASP 33 7.508 -2.202 10.744 285 1HB ASP 33 HB2 ASP 33 9.614 -3.610 10.564 286 2HB ASP 33 HB1 ASP 33 10.382 -2.214 9.824 287 H ALA 34 HN ALA 34 9.166 -1.083 7.857 288 HA ALA 34 HA ALA 34 9.367 1.643 8.730 289 1HB ALA 34 HB1 ALA 34 10.405 2.084 6.674 290 2HB ALA 34 HB2 ALA 34 9.671 0.677 5.908 291 3HB ALA 34 HB3 ALA 34 10.927 0.463 7.128 292 H LEU 35 HN LEU 35 6.984 -0.205 7.033 293 HA LEU 35 HA LEU 35 5.626 2.271 6.222 294 1HB LEU 35 HB2 LEU 35 5.685 -0.499 5.148 295 2HB LEU 35 HB1 LEU 35 4.227 0.440 4.919 296 HG LEU 35 HG LEU 35 5.126 1.674 3.284 297 1HD1 LEU 35 HD11 LEU 35 7.359 2.639 3.259 298 2HD1 LEU 35 HD12 LEU 35 7.792 1.728 4.703 299 3HD1 LEU 35 HD13 LEU 35 6.544 2.969 4.785 300 1HD2 LEU 35 HD21 LEU 35 5.681 -0.365 2.333 301 2HD2 LEU 35 HD22 LEU 35 6.987 -0.675 3.481 302 3HD2 LEU 35 HD23 LEU 35 7.188 0.541 2.213 303 H SER 36 HN SER 36 5.508 -0.036 8.632 304 HA SER 36 HA SER 36 2.710 -0.465 8.831 305 1HB SER 36 HB2 SER 36 4.330 -1.974 9.911 306 2HB SER 36 HB1 SER 36 4.832 -0.669 10.984 307 HG SER 36 HG SER 36 3.254 -2.139 11.888 308 H GLY 37 HN GLY 37 4.945 1.746 10.490 309 1HA GLY 37 HA2 GLY 37 3.156 2.960 12.230 310 2HA GLY 37 HA1 GLY 37 4.569 3.752 11.545 311 H THR 38 HN THR 38 3.174 3.056 8.838 312 HA THR 38 HA THR 38 1.463 5.441 8.836 313 HB THR 38 HB THR 38 2.935 4.250 6.475 314 HG1 THR 38 HG1 THR 38 4.197 6.284 6.825 315 1HG2 THR 38 HG21 THR 38 0.770 5.784 6.333 316 2HG2 THR 38 HG22 THR 38 2.119 5.972 5.211 317 3HG2 THR 38 HG23 THR 38 1.962 7.059 6.591 318 HA PRO 39 HA PRO 39 -1.882 2.583 7.932 319 1HB PRO 39 HB2 PRO 39 -3.745 4.437 7.284 320 2HB PRO 39 HB1 PRO 39 -3.264 4.125 8.955 321 1HG PRO 39 HG2 PRO 39 -2.275 6.238 7.080 322 2HG PRO 39 HG1 PRO 39 -2.842 6.430 8.749 323 1HD PRO 39 HD2 PRO 39 -0.238 6.326 8.220 324 2HD PRO 39 HD1 PRO 39 -0.899 5.473 9.635 325 H TRP 40 HN TRP 40 -3.579 2.447 6.049 326 HA TRP 40 HA TRP 40 -2.086 2.388 3.625 327 1HB TRP 40 HB2 TRP 40 -4.077 1.521 2.570 328 2HB TRP 40 HB1 TRP 40 -3.865 0.734 4.124 329 HD1 TRP 40 HD1 TRP 40 -5.594 1.510 6.112 330 HE1 TRP 40 HE1 TRP 40 -8.022 2.354 5.938 331 HE3 TRP 40 HE3 TRP 40 -5.657 2.864 1.171 332 HZ2 TRP 40 HZ2 TRP 40 -9.720 3.467 3.999 333 HZ3 TRP 40 HZ3 TRP 40 -7.724 3.826 0.251 334 HH2 TRP 40 HH2 TRP 40 -9.710 4.116 1.634 335 H ILE 41 HN ILE 41 -4.809 4.349 4.787 336 HA ILE 41 HA ILE 41 -5.285 5.881 2.558 337 HB ILE 41 HB ILE 41 -6.485 5.955 4.815 338 1HG1 ILE 41 HG12 ILE 41 -6.456 8.733 4.285 339 2HG1 ILE 41 HG11 ILE 41 -6.159 7.923 2.746 340 1HG2 ILE 41 HG21 ILE 41 -4.634 8.229 5.433 341 2HG2 ILE 41 HG22 ILE 41 -4.284 6.594 5.989 342 3HG2 ILE 41 HG23 ILE 41 -5.770 7.400 6.498 343 1HD1 ILE 41 HD11 ILE 41 -8.480 7.446 4.599 344 2HD1 ILE 41 HD12 ILE 41 -8.171 6.565 3.100 345 3HD1 ILE 41 HD13 ILE 41 -8.517 8.296 3.054 346 H GLU 42 HN GLU 42 -2.560 5.973 4.706 347 HA GLU 42 HA GLU 42 -1.603 8.463 3.489 348 1HB GLU 42 HB2 GLU 42 -0.750 6.906 5.921 349 2HB GLU 42 HB1 GLU 42 0.256 8.176 5.237 350 1HG GLU 42 HG2 GLU 42 -1.659 9.744 5.514 351 2HG GLU 42 HG1 GLU 42 -2.521 8.459 6.357 352 H LEU 43 HN LEU 43 -0.929 5.064 3.822 353 HA LEU 43 HA LEU 43 1.606 4.913 2.656 354 1HB LEU 43 HB2 LEU 43 -0.442 3.138 3.469 355 2HB LEU 43 HB1 LEU 43 -0.012 2.699 1.831 356 HG LEU 43 HG LEU 43 1.256 1.366 3.400 357 1HD1 LEU 43 HD11 LEU 43 3.565 1.999 2.699 358 2HD1 LEU 43 HD12 LEU 43 2.879 3.451 1.973 359 3HD1 LEU 43 HD13 LEU 43 2.406 1.860 1.378 360 1HD2 LEU 43 HD21 LEU 43 2.127 2.136 5.292 361 2HD2 LEU 43 HD22 LEU 43 1.268 3.641 4.968 362 3HD2 LEU 43 HD23 LEU 43 2.947 3.459 4.464 363 H ILE 44 HN ILE 44 -1.552 4.299 1.213 364 HA ILE 44 HA ILE 44 -0.796 4.199 -1.448 365 HB ILE 44 HB ILE 44 -3.125 4.466 -1.987 366 1HG1 ILE 44 HG12 ILE 44 -3.712 5.179 0.883 367 2HG1 ILE 44 HG11 ILE 44 -3.419 6.422 -0.317 368 1HG2 ILE 44 HG21 ILE 44 -4.083 2.862 -0.217 369 2HG2 ILE 44 HG22 ILE 44 -2.468 2.905 0.485 370 3HG2 ILE 44 HG23 ILE 44 -2.700 2.330 -1.167 371 1HD1 ILE 44 HD11 ILE 44 -5.840 5.498 0.300 372 2HD1 ILE 44 HD12 ILE 44 -5.430 4.378 -1.000 373 3HD1 ILE 44 HD13 ILE 44 -5.427 6.116 -1.296 374 H TYR 45 HN TYR 45 -0.613 6.821 0.586 375 HA TYR 45 HA TYR 45 -0.940 8.743 -1.615 376 1HB TYR 45 HB2 TYR 45 -1.278 8.953 1.341 377 2HB TYR 45 HB1 TYR 45 -0.762 10.385 0.459 378 HD1 TYR 45 HD1 TYR 45 -2.995 8.009 -1.222 379 HD2 TYR 45 HD2 TYR 45 -2.806 11.531 1.170 380 HE1 TYR 45 HE1 TYR 45 -5.346 8.505 -1.768 381 HE2 TYR 45 HE2 TYR 45 -5.148 12.033 0.623 382 HH TYR 45 HH TYR 45 -7.223 9.783 -0.816 383 H LEU 46 HN LEU 46 1.401 7.175 0.306 384 HA LEU 46 HA LEU 46 3.407 9.145 0.447 385 1HB LEU 46 HB2 LEU 46 3.839 6.177 0.123 386 2HB LEU 46 HB1 LEU 46 4.980 7.332 0.759 387 HG LEU 46 HG LEU 46 2.453 6.374 2.085 388 1HD1 LEU 46 HD11 LEU 46 4.119 5.677 3.830 389 2HD1 LEU 46 HD12 LEU 46 5.394 6.071 2.671 390 3HD1 LEU 46 HD13 LEU 46 4.222 4.800 2.302 391 1HD2 LEU 46 HD21 LEU 46 3.329 8.918 2.329 392 2HD2 LEU 46 HD22 LEU 46 4.304 8.121 3.565 393 3HD2 LEU 46 HD23 LEU 46 2.544 8.018 3.627 394 H ASP 47 HN ASP 47 5.639 8.145 -0.734 395 HA ASP 47 HA ASP 47 5.139 7.764 -3.568 396 1HB ASP 47 HB2 ASP 47 6.750 10.136 -2.597 397 2HB ASP 47 HB1 ASP 47 6.474 9.676 -4.274 398 H ASP 48 HN ASP 48 7.250 7.475 -4.754 399 HA ASP 48 HA ASP 48 8.777 5.456 -3.701 400 1HB ASP 48 HB2 ASP 48 9.331 5.581 -5.890 401 2HB ASP 48 HB1 ASP 48 9.033 7.315 -5.956 402 H GLU 49 HN GLU 49 9.179 8.901 -3.367 403 HA GLU 49 HA GLU 49 11.746 8.864 -2.164 404 1HB GLU 49 HB2 GLU 49 10.853 10.877 -3.204 405 2HB GLU 49 HB1 GLU 49 9.551 10.930 -2.025 406 1HG GLU 49 HG2 GLU 49 11.223 11.246 -0.240 407 2HG GLU 49 HG1 GLU 49 12.486 11.286 -1.470 408 H THR 50 HN THR 50 8.562 9.505 -0.660 409 HA THR 50 HA THR 50 9.364 9.565 1.965 410 HB THR 50 HB THR 50 6.779 8.479 0.842 411 HG1 THR 50 HG1 THR 50 6.038 10.552 1.223 412 1HG2 THR 50 HG21 THR 50 7.238 7.660 3.135 413 2HG2 THR 50 HG22 THR 50 5.844 8.740 3.055 414 3HG2 THR 50 HG23 THR 50 7.384 9.333 3.674 415 H LEU 51 HN LEU 51 8.468 6.749 0.030 416 HA LEU 51 HA LEU 51 8.555 4.750 1.928 417 1HB LEU 51 HB2 LEU 51 9.327 4.838 -0.969 418 2HB LEU 51 HB1 LEU 51 9.398 3.340 -0.058 419 HG LEU 51 HG LEU 51 6.886 4.995 -0.279 420 1HD1 LEU 51 HD11 LEU 51 6.129 3.612 -2.042 421 2HD1 LEU 51 HD12 LEU 51 7.526 2.548 -1.902 422 3HD1 LEU 51 HD13 LEU 51 7.727 4.192 -2.508 423 1HD2 LEU 51 HD21 LEU 51 5.837 2.837 0.361 424 2HD2 LEU 51 HD22 LEU 51 6.892 3.510 1.601 425 3HD2 LEU 51 HD23 LEU 51 7.450 2.170 0.599 426 H GLU 52 HN GLU 52 11.224 6.216 0.119 427 HA GLU 52 HA GLU 52 13.316 4.618 1.089 428 1HB GLU 52 HB2 GLU 52 13.553 6.273 -0.739 429 2HB GLU 52 HB1 GLU 52 13.354 7.573 0.426 430 1HG GLU 52 HG2 GLU 52 15.391 6.742 1.597 431 2HG GLU 52 HG1 GLU 52 15.629 5.612 0.265 432 H LYS 53 HN LYS 53 12.041 7.706 2.185 433 HA LYS 53 HA LYS 53 13.582 8.136 4.411 434 1HB LYS 53 HB2 LYS 53 10.774 8.821 3.701 435 2HB LYS 53 HB1 LYS 53 11.396 9.254 5.288 436 1HG LYS 53 HG2 LYS 53 11.837 11.135 4.083 437 2HG LYS 53 HG1 LYS 53 13.349 10.260 3.905 438 1HD LYS 53 HD2 LYS 53 11.315 9.688 1.879 439 2HD LYS 53 HD1 LYS 53 11.963 11.331 1.854 440 1HE LYS 53 HE2 LYS 53 13.585 8.800 1.823 441 2HE LYS 53 HE1 LYS 53 13.235 9.798 0.411 442 1HZ LYS 53 HZ1 LYS 53 14.797 10.615 2.803 443 2HZ LYS 53 HZ2 LYS 53 14.395 11.641 1.520 444 3HZ LYS 53 HZ3 LYS 53 15.413 10.316 1.255 445 H LYS 54 HN LYS 54 10.897 5.885 4.076 446 HA LYS 54 HA LYS 54 10.652 5.398 6.896 447 1HB LYS 54 HB2 LYS 54 9.717 3.472 4.791 448 2HB LYS 54 HB1 LYS 54 8.987 3.864 6.341 449 1HG LYS 54 HG2 LYS 54 9.076 5.692 3.958 450 2HG LYS 54 HG1 LYS 54 7.681 4.741 4.466 451 1HD LYS 54 HD2 LYS 54 8.737 6.276 6.666 452 2HD LYS 54 HD1 LYS 54 8.365 7.321 5.295 453 1HE LYS 54 HE2 LYS 54 6.150 7.002 5.501 454 2HE LYS 54 HE1 LYS 54 6.344 5.283 5.860 455 1HZ LYS 54 HZ1 LYS 54 6.717 5.734 8.114 456 2HZ LYS 54 HZ2 LYS 54 5.435 6.754 7.699 457 3HZ LYS 54 HZ3 LYS 54 6.998 7.381 7.845 458 H GLY 55 HN GLY 55 11.748 3.479 4.150 459 1HA GLY 55 HA2 GLY 55 14.135 2.571 5.217 460 2HA GLY 55 HA1 GLY 55 12.908 1.395 5.676 461 H VAL 56 HN VAL 56 11.509 2.299 3.072 462 HA VAL 56 HA VAL 56 12.434 0.172 1.446 463 HB VAL 56 HB VAL 56 10.754 2.476 0.494 464 1HG1 VAL 56 HG11 VAL 56 9.784 0.875 -0.998 465 2HG1 VAL 56 HG12 VAL 56 10.716 -0.411 -0.254 466 3HG1 VAL 56 HG13 VAL 56 11.540 0.843 -1.163 467 1HG2 VAL 56 HG21 VAL 56 8.854 0.779 1.201 468 2HG2 VAL 56 HG22 VAL 56 9.475 1.984 2.332 469 3HG2 VAL 56 HG23 VAL 56 10.055 0.319 2.407 470 H LEU 57 HN LEU 57 14.626 0.542 1.122 471 HA LEU 57 HA LEU 57 15.453 2.964 -0.283 472 1HB LEU 57 HB2 LEU 57 16.842 0.803 1.228 473 2HB LEU 57 HB1 LEU 57 17.755 1.738 0.060 474 HG LEU 57 HG LEU 57 17.748 3.626 1.354 475 1HD1 LEU 57 HD11 LEU 57 15.992 3.987 3.179 476 2HD1 LEU 57 HD12 LEU 57 15.097 2.687 2.394 477 3HD1 LEU 57 HD13 LEU 57 15.475 4.157 1.502 478 1HD2 LEU 57 HD21 LEU 57 18.825 1.835 2.629 479 2HD2 LEU 57 HD22 LEU 57 17.288 1.489 3.427 480 3HD2 LEU 57 HD23 LEU 57 18.089 3.040 3.687 481 H ALA 58 HN ALA 58 14.051 0.375 -1.389 482 HA ALA 58 HA ALA 58 15.982 -0.228 -3.520 483 1HB ALA 58 HB1 ALA 58 15.073 -2.284 -3.698 484 2HB ALA 58 HB2 ALA 58 13.438 -1.697 -3.392 485 3HB ALA 58 HB3 ALA 58 14.551 -1.952 -2.045 486 H LEU 59 HN LEU 59 15.811 1.115 -5.198 487 HA LEU 59 HA LEU 59 13.631 2.650 -5.925 488 1HB LEU 59 HB2 LEU 59 15.902 1.485 -7.511 489 2HB LEU 59 HB1 LEU 59 14.630 2.378 -8.323 490 HG LEU 59 HG LEU 59 16.688 3.705 -7.783 491 1HD1 LEU 59 HD11 LEU 59 15.451 5.665 -6.982 492 2HD1 LEU 59 HD12 LEU 59 14.100 4.621 -6.538 493 3HD1 LEU 59 HD13 LEU 59 14.559 4.796 -8.232 494 1HD2 LEU 59 HD21 LEU 59 17.230 4.302 -5.595 495 2HD2 LEU 59 HD22 LEU 59 16.920 2.571 -5.520 496 3HD2 LEU 59 HD23 LEU 59 15.700 3.701 -4.959 497 H GLY 60 HN GLY 60 14.303 -0.695 -6.379 498 1HA GLY 60 HA2 GLY 60 12.277 -1.190 -8.320 499 2HA GLY 60 HA1 GLY 60 13.141 -2.399 -7.389 500 H ALA 61 HN ALA 61 12.502 -1.547 -4.810 501 HA ALA 61 HA ALA 61 9.897 -2.683 -4.533 502 1HB ALA 61 HB1 ALA 61 10.450 -3.043 -2.394 503 2HB ALA 61 HB2 ALA 61 11.118 -1.428 -2.173 504 3HB ALA 61 HB3 ALA 61 12.076 -2.679 -2.969 505 H ARG 62 HN ARG 62 11.192 0.546 -3.594 506 HA ARG 62 HA ARG 62 8.712 1.488 -2.706 507 1HB ARG 62 HB2 ARG 62 9.722 3.750 -2.822 508 2HB ARG 62 HB1 ARG 62 10.678 2.587 -1.948 509 1HG ARG 62 HG2 ARG 62 11.950 2.320 -4.187 510 2HG ARG 62 HG1 ARG 62 11.227 3.886 -4.558 511 1HD ARG 62 HD2 ARG 62 12.140 4.723 -2.361 512 2HD ARG 62 HD1 ARG 62 13.007 3.196 -2.226 513 HE ARG 62 HE ARG 62 13.608 4.426 -4.706 514 1HH1 ARG 62 HH11 ARG 62 14.320 4.536 -1.306 515 2HH1 ARG 62 HH12 ARG 62 15.771 5.460 -1.506 516 1HH2 ARG 62 HH21 ARG 62 15.510 5.680 -4.974 517 2HH2 ARG 62 HH22 ARG 62 16.443 6.112 -3.582 518 H ARG 63 HN ARG 63 10.415 2.468 -5.671 519 HA ARG 63 HA ARG 63 8.400 3.947 -6.809 520 1HB ARG 63 HB2 ARG 63 10.363 2.136 -8.213 521 2HB ARG 63 HB1 ARG 63 9.367 3.331 -9.025 522 1HG ARG 63 HG2 ARG 63 10.442 5.098 -7.694 523 2HG ARG 63 HG1 ARG 63 11.480 3.879 -6.952 524 1HD ARG 63 HD2 ARG 63 12.565 5.093 -8.821 525 2HD ARG 63 HD1 ARG 63 12.472 3.351 -9.076 526 HE ARG 63 HE ARG 63 10.242 4.323 -10.301 527 1HH1 ARG 63 HH11 ARG 63 13.652 5.007 -10.545 528 2HH1 ARG 63 HH12 ARG 63 13.575 5.443 -12.219 529 1HH2 ARG 63 HH21 ARG 63 10.134 4.891 -12.506 530 2HH2 ARG 63 HH22 ARG 63 11.576 5.376 -13.334 531 H LYS 64 HN LYS 64 8.585 0.545 -6.343 532 HA LYS 64 HA LYS 64 6.548 -0.156 -8.259 533 1HB LYS 64 HB2 LYS 64 8.378 -1.686 -7.473 534 2HB LYS 64 HB1 LYS 64 7.562 -1.770 -5.914 535 1HG LYS 64 HG2 LYS 64 6.918 -3.703 -7.086 536 2HG LYS 64 HG1 LYS 64 5.539 -2.607 -7.204 537 1HD LYS 64 HD2 LYS 64 6.140 -1.986 -9.439 538 2HD LYS 64 HD1 LYS 64 7.661 -2.873 -9.328 539 1HE LYS 64 HE2 LYS 64 6.040 -4.134 -10.620 540 2HE LYS 64 HE1 LYS 64 6.409 -4.972 -9.113 541 1HZ LYS 64 HZ1 LYS 64 4.363 -4.129 -8.170 542 2HZ LYS 64 HZ2 LYS 64 4.033 -4.969 -9.601 543 3HZ LYS 64 HZ3 LYS 64 4.015 -3.278 -9.590 544 H LEU 65 HN LEU 65 6.723 0.343 -4.760 545 HA LEU 65 HA LEU 65 4.157 -0.451 -4.071 546 1HB LEU 65 HB2 LEU 65 6.190 1.340 -2.912 547 2HB LEU 65 HB1 LEU 65 4.545 1.594 -2.358 548 HG LEU 65 HG LEU 65 5.418 -1.210 -2.364 549 1HD1 LEU 65 HD11 LEU 65 6.695 0.827 -0.559 550 2HD1 LEU 65 HD12 LEU 65 7.492 -0.270 -1.685 551 3HD1 LEU 65 HD13 LEU 65 6.690 -0.910 -0.251 552 1HD2 LEU 65 HD21 LEU 65 4.322 -1.132 -0.149 553 2HD2 LEU 65 HD22 LEU 65 3.280 -0.572 -1.457 554 3HD2 LEU 65 HD23 LEU 65 4.047 0.594 -0.377 555 H LEU 66 HN LEU 66 5.264 2.352 -5.744 556 HA LEU 66 HA LEU 66 3.097 4.081 -5.301 557 1HB LEU 66 HB2 LEU 66 5.176 3.829 -7.431 558 2HB LEU 66 HB1 LEU 66 3.829 4.926 -7.678 559 HG LEU 66 HG LEU 66 5.286 5.158 -5.104 560 1HD1 LEU 66 HD11 LEU 66 6.520 5.610 -7.760 561 2HD1 LEU 66 HD12 LEU 66 7.259 5.141 -6.226 562 3HD1 LEU 66 HD13 LEU 66 6.797 6.820 -6.508 563 1HD2 LEU 66 HD21 LEU 66 4.853 7.534 -5.494 564 2HD2 LEU 66 HD22 LEU 66 3.375 6.579 -5.604 565 3HD2 LEU 66 HD23 LEU 66 4.167 7.149 -7.073 566 H LYS 67 HN LYS 67 3.404 1.226 -7.184 567 HA LYS 67 HA LYS 67 1.212 1.739 -8.958 568 1HB LYS 67 HB2 LYS 67 2.705 -0.768 -8.191 569 2HB LYS 67 HB1 LYS 67 1.307 -0.806 -9.245 570 1HG LYS 67 HG2 LYS 67 3.695 0.909 -9.832 571 2HG LYS 67 HG1 LYS 67 3.575 -0.769 -10.361 572 1HD LYS 67 HD2 LYS 67 1.628 1.437 -11.034 573 2HD LYS 67 HD1 LYS 67 2.853 0.776 -12.118 574 1HE LYS 67 HE2 LYS 67 0.682 -0.878 -10.857 575 2HE LYS 67 HE1 LYS 67 0.523 -0.120 -12.443 576 1HZ LYS 67 HZ1 LYS 67 2.442 -1.384 -13.194 577 2HZ LYS 67 HZ2 LYS 67 1.236 -2.423 -12.620 578 3HZ LYS 67 HZ3 LYS 67 2.598 -2.103 -11.669 579 H ALA 68 HN ALA 68 1.729 0.124 -5.897 580 HA ALA 68 HA ALA 68 -0.929 -0.889 -5.643 581 1HB ALA 68 HB1 ALA 68 -0.240 -1.227 -3.241 582 2HB ALA 68 HB2 ALA 68 1.319 -0.516 -3.668 583 3HB ALA 68 HB3 ALA 68 0.786 -2.010 -4.441 584 H PHE 69 HN PHE 69 0.715 2.061 -4.781 585 HA PHE 69 HA PHE 69 -1.102 3.096 -2.923 586 1HB PHE 69 HB2 PHE 69 0.790 4.443 -4.852 587 2HB PHE 69 HB1 PHE 69 -0.123 5.316 -3.636 588 HD1 PHE 69 HD1 PHE 69 0.493 2.414 -1.975 589 HD2 PHE 69 HD2 PHE 69 2.620 5.754 -3.543 590 HE1 PHE 69 HE1 PHE 69 2.291 2.035 -0.345 591 HE2 PHE 69 HE2 PHE 69 4.420 5.373 -1.912 592 HZ PHE 69 HZ PHE 69 4.254 3.514 -0.303 593 H GLY 70 HN GLY 70 -0.991 3.349 -6.458 594 1HA GLY 70 HA2 GLY 70 -3.179 5.182 -6.606 595 2HA GLY 70 HA1 GLY 70 -2.450 4.333 -7.953 596 H ILE 71 HN ILE 71 -2.932 1.709 -7.367 597 HA ILE 71 HA ILE 71 -5.538 1.332 -8.241 598 HB ILE 71 HB ILE 71 -3.911 -0.650 -6.646 599 1HG1 ILE 71 HG12 ILE 71 -4.009 -0.582 -9.637 600 2HG1 ILE 71 HG11 ILE 71 -2.930 0.526 -8.795 601 1HG2 ILE 71 HG21 ILE 71 -6.034 -1.137 -8.731 602 2HG2 ILE 71 HG22 ILE 71 -6.319 -1.200 -6.993 603 3HG2 ILE 71 HG23 ILE 71 -5.209 -2.344 -7.746 604 1HD1 ILE 71 HD11 ILE 71 -2.917 -2.445 -8.367 605 2HD1 ILE 71 HD12 ILE 71 -1.727 -1.263 -7.820 606 3HD1 ILE 71 HD13 ILE 71 -1.895 -1.615 -9.541 607 H VAL 72 HN VAL 72 -4.287 1.550 -4.968 608 HA VAL 72 HA VAL 72 -6.686 0.652 -3.684 609 HB VAL 72 HB VAL 72 -4.481 2.384 -2.551 610 1HG1 VAL 72 HG11 VAL 72 -5.289 1.761 -0.383 611 2HG1 VAL 72 HG12 VAL 72 -6.491 0.687 -1.078 612 3HG1 VAL 72 HG13 VAL 72 -6.635 2.426 -1.303 613 1HG2 VAL 72 HG21 VAL 72 -3.939 0.021 -3.491 614 2HG2 VAL 72 HG22 VAL 72 -4.741 -0.547 -2.031 615 3HG2 VAL 72 HG23 VAL 72 -3.327 0.494 -1.908 616 H ILE 73 HN ILE 73 -5.291 3.793 -4.453 617 HA ILE 73 HA ILE 73 -7.144 5.451 -3.200 618 HB ILE 73 HB ILE 73 -5.339 5.818 -5.575 619 1HG1 ILE 73 HG12 ILE 73 -5.382 7.198 -2.890 620 2HG1 ILE 73 HG11 ILE 73 -4.472 5.726 -3.212 621 1HG2 ILE 73 HG21 ILE 73 -5.972 8.334 -5.192 622 2HG2 ILE 73 HG22 ILE 73 -7.485 7.638 -4.613 623 3HG2 ILE 73 HG23 ILE 73 -6.939 7.312 -6.256 624 1HD1 ILE 73 HD11 ILE 73 -4.051 8.106 -4.948 625 2HD1 ILE 73 HD12 ILE 73 -2.940 6.802 -4.528 626 3HD1 ILE 73 HD13 ILE 73 -3.320 8.051 -3.345 627 H ASP 74 HN ASP 74 -7.075 4.509 -6.641 628 HA ASP 74 HA ASP 74 -9.449 5.738 -7.401 629 1HB ASP 74 HB2 ASP 74 -7.629 4.501 -8.820 630 2HB ASP 74 HB1 ASP 74 -8.642 3.084 -8.569 631 H TYR 75 HN TYR 75 -9.039 2.274 -6.470 632 HA TYR 75 HA TYR 75 -11.754 1.667 -6.555 633 1HB TYR 75 HB2 TYR 75 -9.438 0.460 -5.064 634 2HB TYR 75 HB1 TYR 75 -11.071 -0.178 -4.880 635 HD1 TYR 75 HD1 TYR 75 -12.191 -0.022 -7.517 636 HD2 TYR 75 HD2 TYR 75 -8.230 -1.051 -6.382 637 HE1 TYR 75 HE1 TYR 75 -11.947 -1.321 -9.592 638 HE2 TYR 75 HE2 TYR 75 -7.970 -2.346 -8.456 639 HH TYR 75 HH TYR 75 -9.435 -3.506 -10.099 640 H LYS 76 HN LYS 76 -9.816 3.194 -4.086 641 HA LYS 76 HA LYS 76 -11.653 3.133 -1.963 642 1HB LYS 76 HB2 LYS 76 -9.602 3.918 -1.245 643 2HB LYS 76 HB1 LYS 76 -9.278 4.741 -2.757 644 1HG LYS 76 HG2 LYS 76 -11.122 6.379 -1.977 645 2HG LYS 76 HG1 LYS 76 -10.819 5.679 -0.403 646 1HD LYS 76 HD2 LYS 76 -8.465 6.555 -1.968 647 2HD LYS 76 HD1 LYS 76 -9.502 7.815 -1.298 648 1HE LYS 76 HE2 LYS 76 -7.919 5.712 0.136 649 2HE LYS 76 HE1 LYS 76 -7.891 7.460 0.350 650 1HZ LYS 76 HZ1 LYS 76 -10.309 5.872 0.959 651 2HZ LYS 76 HZ2 LYS 76 -9.918 7.433 1.477 652 3HZ LYS 76 HZ3 LYS 76 -9.089 6.100 2.102 653 H GLU 77 HN GLU 77 -11.005 5.393 -4.545 654 HA GLU 77 HA GLU 77 -13.016 7.277 -4.015 655 1HB GLU 77 HB2 GLU 77 -11.340 6.564 -6.410 656 2HB GLU 77 HB1 GLU 77 -12.490 7.881 -6.460 657 1HG GLU 77 HG2 GLU 77 -10.557 7.835 -4.222 658 2HG GLU 77 HG1 GLU 77 -9.946 8.230 -5.826 659 H ARG 78 HN ARG 78 -13.076 4.176 -5.506 660 HA ARG 78 HA ARG 78 -15.550 4.673 -6.955 661 1HB ARG 78 HB2 ARG 78 -13.798 2.240 -6.642 662 2HB ARG 78 HB1 ARG 78 -15.345 2.193 -7.471 663 1HG ARG 78 HG2 ARG 78 -14.490 3.924 -9.035 664 2HG ARG 78 HG1 ARG 78 -12.913 3.782 -8.252 665 1HD ARG 78 HD2 ARG 78 -12.825 1.415 -8.838 666 2HD ARG 78 HD1 ARG 78 -14.415 1.535 -9.590 667 HE ARG 78 HE ARG 78 -12.440 3.340 -10.669 668 1HH1 ARG 78 HH11 ARG 78 -13.902 0.183 -10.873 669 2HH1 ARG 78 HH12 ARG 78 -13.450 -0.061 -12.527 670 1HH2 ARG 78 HH21 ARG 78 -11.842 3.027 -12.849 671 2HH2 ARG 78 HH22 ARG 78 -12.278 1.554 -13.650 672 H ASP 79 HN ASP 79 -15.003 4.421 -3.848 673 HA ASP 79 HA ASP 79 -16.167 3.735 -2.016 674 1HB ASP 79 HB2 ASP 79 -18.044 4.800 -3.310 675 2HB ASP 79 HB1 ASP 79 -18.434 3.207 -3.952 676 H LEU 80 HN LEU 80 -14.689 1.861 -3.788 677 HA LEU 80 HA LEU 80 -16.054 -0.674 -3.518 678 1HB LEU 80 HB2 LEU 80 -13.891 0.386 -5.054 679 2HB LEU 80 HB1 LEU 80 -13.334 -1.037 -4.222 680 HG LEU 80 HG LEU 80 -15.795 -1.791 -5.288 681 1HD1 LEU 80 HD11 LEU 80 -15.330 -1.210 -7.709 682 2HD1 LEU 80 HD12 LEU 80 -14.201 -0.015 -7.067 683 3HD1 LEU 80 HD13 LEU 80 -15.919 0.108 -6.686 684 1HD2 LEU 80 HD21 LEU 80 -13.493 -2.963 -5.098 685 2HD2 LEU 80 HD22 LEU 80 -13.178 -2.229 -6.674 686 3HD2 LEU 80 HD23 LEU 80 -14.528 -3.349 -6.475 687 H ILE 81 HN ILE 81 -13.733 1.230 -1.821 688 HA ILE 81 HA ILE 81 -12.947 -0.997 -0.101 689 HB ILE 81 HB ILE 81 -12.015 1.877 -0.132 690 1HG1 ILE 81 HG12 ILE 81 -10.656 -0.675 -1.031 691 2HG1 ILE 81 HG11 ILE 81 -11.298 0.576 -2.090 692 1HG2 ILE 81 HG21 ILE 81 -10.899 -0.449 1.439 693 2HG2 ILE 81 HG22 ILE 81 -11.934 0.807 2.120 694 3HG2 ILE 81 HG23 ILE 81 -10.343 1.223 1.479 695 1HD1 ILE 81 HD11 ILE 81 -9.009 0.873 -0.160 696 2HD1 ILE 81 HD12 ILE 81 -9.671 2.162 -1.164 697 3HD1 ILE 81 HD13 ILE 81 -8.902 0.766 -1.916 698 H ASP 82 HN ASP 82 -13.690 -1.271 1.909 699 HA ASP 82 HA ASP 82 -16.032 -0.015 2.776 700 1HB ASP 82 HB2 ASP 82 -14.890 -2.273 3.487 701 2HB ASP 82 HB1 ASP 82 -14.142 -1.271 4.726 702 H ARG 83 HN ARG 83 -16.427 1.752 3.988 703 HA ARG 83 HA ARG 83 -14.437 3.699 4.364 704 1HB ARG 83 HB2 ARG 83 -17.220 3.399 5.484 705 2HB ARG 83 HB1 ARG 83 -16.200 4.776 5.878 706 1HG ARG 83 HG2 ARG 83 -16.932 3.985 3.070 707 2HG ARG 83 HG1 ARG 83 -17.820 5.173 4.027 708 1HD ARG 83 HD2 ARG 83 -15.993 6.653 4.080 709 2HD ARG 83 HD1 ARG 83 -14.863 5.408 3.550 710 HE ARG 83 HE ARG 83 -15.604 5.690 1.354 711 1HH1 ARG 83 HH11 ARG 83 -17.356 7.733 3.571 712 2HH1 ARG 83 HH12 ARG 83 -18.003 8.747 2.325 713 1HH2 ARG 83 HH21 ARG 83 -16.452 7.022 -0.290 714 2HH2 ARG 83 HH22 ARG 83 -17.490 8.343 0.130 715 H SER 84 HN SER 84 -15.143 0.903 6.093 716 HA SER 84 HA SER 84 -14.477 1.686 8.722 717 1HB SER 84 HB2 SER 84 -14.226 -1.011 7.365 718 2HB SER 84 HB1 SER 84 -14.066 -0.740 9.100 719 HG SER 84 HG SER 84 -16.212 -1.399 8.212 720 H ALA 85 HN ALA 85 -12.582 0.839 5.907 721 HA ALA 85 HA ALA 85 -10.105 0.485 7.286 722 1HB ALA 85 HB1 ALA 85 -9.103 0.756 5.006 723 2HB ALA 85 HB2 ALA 85 -10.726 1.064 4.386 724 3HB ALA 85 HB3 ALA 85 -10.338 -0.493 5.112 725 H TYR 86 HN TYR 86 -11.663 3.131 5.572 726 HA TYR 86 HA TYR 86 -9.796 5.088 5.463 727 1HB TYR 86 HB2 TYR 86 -12.697 5.291 6.254 728 2HB TYR 86 HB1 TYR 86 -11.689 6.713 6.043 729 HD1 TYR 86 HD1 TYR 86 -11.809 3.582 4.038 730 HD2 TYR 86 HD2 TYR 86 -12.510 7.772 4.144 731 HE1 TYR 86 HE1 TYR 86 -12.294 3.551 1.630 732 HE2 TYR 86 HE2 TYR 86 -13.002 7.757 1.734 733 HH TYR 86 HH TYR 86 -13.518 4.888 -0.017 Start of MODEL 7 1 1H SER 1 HT1 SER 1 7.224 -6.629 -15.670 2 2H SER 1 HT2 SER 1 7.497 -5.210 -14.791 3 3H SER 1 HT3 SER 1 5.917 -5.757 -15.045 4 HA SER 1 HA SER 1 6.312 -7.698 -13.709 5 1HB SER 1 HB2 SER 1 8.713 -7.930 -14.232 6 2HB SER 1 HB1 SER 1 9.059 -6.495 -13.268 7 HG SER 1 HG SER 1 8.751 -7.605 -11.473 8 H ASN 2 HN ASN 2 5.205 -7.430 -11.887 9 HA ASN 2 HA ASN 2 5.585 -4.926 -10.381 10 1HB ASN 2 HB2 ASN 2 3.185 -5.002 -9.822 11 2HB ASN 2 HB1 ASN 2 3.446 -4.894 -11.560 12 1HD2 ASN 2 HD21 ASN 2 2.354 -6.876 -8.941 13 2HD2 ASN 2 HD22 ASN 2 1.627 -8.111 -9.905 14 H SER 3 HN SER 3 4.595 -5.157 -8.094 15 HA SER 3 HA SER 3 5.797 -7.543 -6.915 16 1HB SER 3 HB2 SER 3 4.863 -4.945 -5.679 17 2HB SER 3 HB1 SER 3 5.555 -6.284 -4.766 18 HG SER 3 HG SER 3 7.054 -5.499 -6.929 19 H SER 4 HN SER 4 3.516 -8.215 -8.179 20 HA SER 4 HA SER 4 1.505 -9.241 -7.937 21 1HB SER 4 HB2 SER 4 2.497 -9.496 -5.091 22 2HB SER 4 HB1 SER 4 1.092 -10.348 -5.734 23 HG SER 4 HG SER 4 2.449 -11.775 -6.430 24 H MET 5 HN MET 5 1.016 -6.690 -8.161 25 HA MET 5 HA MET 5 -0.329 -5.511 -5.931 26 1HB MET 5 HB2 MET 5 -0.019 -4.845 -8.826 27 2HB MET 5 HB1 MET 5 -1.290 -4.049 -7.907 28 1HG MET 5 HG2 MET 5 0.690 -2.682 -7.935 29 2HG MET 5 HG1 MET 5 0.379 -3.262 -6.299 30 1HE MET 5 HE1 MET 5 4.162 -3.221 -6.064 31 2HE MET 5 HE2 MET 5 2.617 -2.476 -5.645 32 3HE MET 5 HE3 MET 5 3.390 -2.098 -7.184 33 H ASN 6 HN ASN 6 -1.988 -6.760 -5.168 34 HA ASN 6 HA ASN 6 -3.990 -7.766 -7.051 35 1HB ASN 6 HB2 ASN 6 -3.784 -8.247 -4.070 36 2HB ASN 6 HB1 ASN 6 -4.813 -9.108 -5.210 37 1HD2 ASN 6 HD21 ASN 6 -3.809 -10.458 -6.787 38 2HD2 ASN 6 HD22 ASN 6 -2.258 -11.153 -6.479 39 HA PRO 7 HA PRO 7 -6.234 -3.927 -5.998 40 1HB PRO 7 HB2 PRO 7 -8.195 -5.193 -7.838 41 2HB PRO 7 HB1 PRO 7 -7.535 -3.555 -7.849 42 1HG PRO 7 HG2 PRO 7 -6.735 -5.351 -9.642 43 2HG PRO 7 HG1 PRO 7 -5.586 -4.203 -8.927 44 1HD PRO 7 HD2 PRO 7 -6.014 -7.096 -8.305 45 2HD PRO 7 HD1 PRO 7 -4.500 -6.181 -8.411 46 H LYS 8 HN LYS 8 -7.056 -7.238 -5.592 47 HA LYS 8 HA LYS 8 -9.593 -6.748 -4.326 48 1HB LYS 8 HB2 LYS 8 -7.908 -9.256 -4.253 49 2HB LYS 8 HB1 LYS 8 -9.608 -9.124 -3.825 50 1HG LYS 8 HG2 LYS 8 -9.820 -9.949 -5.925 51 2HG LYS 8 HG1 LYS 8 -9.787 -8.226 -6.306 52 1HD LYS 8 HD2 LYS 8 -7.132 -8.831 -6.287 53 2HD LYS 8 HD1 LYS 8 -7.830 -10.331 -6.900 54 1HE LYS 8 HE2 LYS 8 -9.088 -8.971 -8.574 55 2HE LYS 8 HE1 LYS 8 -8.183 -7.558 -8.022 56 1HZ LYS 8 HZ1 LYS 8 -6.979 -10.023 -9.166 57 2HZ LYS 8 HZ2 LYS 8 -6.138 -8.637 -8.684 58 3HZ LYS 8 HZ3 LYS 8 -7.199 -8.566 -9.999 59 H SER 9 HN SER 9 -6.418 -7.880 -3.192 60 HA SER 9 HA SER 9 -7.144 -7.627 -0.438 61 1HB SER 9 HB2 SER 9 -4.480 -8.085 -1.790 62 2HB SER 9 HB1 SER 9 -4.707 -8.097 -0.044 63 HG SER 9 HG SER 9 -5.136 -10.132 -0.368 64 H LEU 10 HN LEU 10 -5.210 -5.726 -2.692 65 HA LEU 10 HA LEU 10 -4.217 -3.843 -0.895 66 1HB LEU 10 HB2 LEU 10 -4.993 -3.420 -3.778 67 2HB LEU 10 HB1 LEU 10 -3.926 -2.393 -2.840 68 HG LEU 10 HG LEU 10 -3.357 -5.281 -3.502 69 1HD1 LEU 10 HD11 LEU 10 -3.421 -3.620 -5.439 70 2HD1 LEU 10 HD12 LEU 10 -1.956 -4.571 -5.223 71 3HD1 LEU 10 HD13 LEU 10 -1.998 -2.889 -4.695 72 1HD2 LEU 10 HD21 LEU 10 -2.298 -3.630 -1.531 73 2HD2 LEU 10 HD22 LEU 10 -1.108 -3.612 -2.833 74 3HD2 LEU 10 HD23 LEU 10 -1.623 -5.144 -2.128 75 H THR 11 HN THR 11 -7.422 -4.407 -1.813 76 HA THR 11 HA THR 11 -8.153 -1.712 -0.848 77 HB THR 11 HB THR 11 -9.991 -1.606 -2.361 78 HG1 THR 11 HG1 THR 11 -10.887 -3.431 -2.936 79 1HG2 THR 11 HG21 THR 11 -7.611 -1.186 -3.221 80 2HG2 THR 11 HG22 THR 11 -8.871 -1.424 -4.426 81 3HG2 THR 11 HG23 THR 11 -7.765 -2.739 -4.038 82 H ASP 12 HN ASP 12 -7.853 -4.372 0.488 83 HA ASP 12 HA ASP 12 -10.597 -4.685 1.495 84 1HB ASP 12 HB2 ASP 12 -9.405 -6.713 0.482 85 2HB ASP 12 HB1 ASP 12 -8.334 -6.647 1.879 86 HA PRO 13 HA PRO 13 -9.052 -2.209 4.892 87 1HB PRO 13 HB2 PRO 13 -11.302 -3.715 6.193 88 2HB PRO 13 HB1 PRO 13 -10.859 -2.009 6.348 89 1HG PRO 13 HG2 PRO 13 -12.849 -2.694 4.758 90 2HG PRO 13 HG1 PRO 13 -11.672 -1.464 4.234 91 1HD PRO 13 HD2 PRO 13 -11.953 -4.320 3.383 92 2HD PRO 13 HD1 PRO 13 -11.432 -2.909 2.443 93 H LYS 14 HN LYS 14 -9.355 -5.685 4.868 94 HA LYS 14 HA LYS 14 -8.343 -6.229 7.446 95 1HB LYS 14 HB2 LYS 14 -9.316 -7.822 5.567 96 2HB LYS 14 HB1 LYS 14 -7.620 -7.995 5.143 97 1HG LYS 14 HG2 LYS 14 -8.874 -8.626 7.809 98 2HG LYS 14 HG1 LYS 14 -8.312 -9.788 6.609 99 1HD LYS 14 HD2 LYS 14 -6.571 -7.796 8.070 100 2HD LYS 14 HD1 LYS 14 -6.710 -9.513 8.457 101 1HE LYS 14 HE2 LYS 14 -5.723 -8.366 5.848 102 2HE LYS 14 HE1 LYS 14 -4.706 -9.030 7.127 103 1HZ LYS 14 HZ1 LYS 14 -6.761 -10.544 5.608 104 2HZ LYS 14 HZ2 LYS 14 -5.751 -11.176 6.809 105 3HZ LYS 14 HZ3 LYS 14 -5.091 -10.630 5.351 106 H LEU 15 HN LEU 15 -6.688 -6.116 4.308 107 HA LEU 15 HA LEU 15 -4.068 -6.199 5.423 108 1HB LEU 15 HB2 LEU 15 -5.083 -5.390 2.702 109 2HB LEU 15 HB1 LEU 15 -3.395 -5.474 3.107 110 HG LEU 15 HG LEU 15 -3.998 -7.444 1.888 111 1HD1 LEU 15 HD11 LEU 15 -3.828 -9.005 4.187 112 2HD1 LEU 15 HD12 LEU 15 -3.047 -7.475 4.604 113 3HD1 LEU 15 HD13 LEU 15 -2.490 -8.400 3.206 114 1HD2 LEU 15 HD21 LEU 15 -5.696 -8.993 2.624 115 2HD2 LEU 15 HD22 LEU 15 -6.411 -7.395 2.409 116 3HD2 LEU 15 HD23 LEU 15 -6.051 -7.988 4.030 117 H LEU 16 HN LEU 16 -6.145 -3.690 4.117 118 HA LEU 16 HA LEU 16 -4.428 -1.547 4.140 119 1HB LEU 16 HB2 LEU 16 -7.356 -1.455 4.854 120 2HB LEU 16 HB1 LEU 16 -6.399 -0.167 4.150 121 HG LEU 16 HG LEU 16 -6.922 -2.782 2.760 122 1HD1 LEU 16 HD11 LEU 16 -8.767 -1.931 1.728 123 2HD1 LEU 16 HD12 LEU 16 -8.255 -0.262 1.941 124 3HD1 LEU 16 HD13 LEU 16 -8.922 -1.156 3.304 125 1HD2 LEU 16 HD21 LEU 16 -5.108 -0.685 2.288 126 2HD2 LEU 16 HD22 LEU 16 -6.370 -0.552 1.066 127 3HD2 LEU 16 HD23 LEU 16 -5.477 -2.060 1.248 128 H LYS 17 HN LYS 17 -6.570 -2.597 6.792 129 HA LYS 17 HA LYS 17 -5.677 -0.629 8.617 130 1HB LYS 17 HB2 LYS 17 -7.012 -3.298 9.078 131 2HB LYS 17 HB1 LYS 17 -6.720 -2.109 10.342 132 1HG LYS 17 HG2 LYS 17 -8.183 -0.542 9.309 133 2HG LYS 17 HG1 LYS 17 -8.322 -1.547 7.864 134 1HD LYS 17 HD2 LYS 17 -9.417 -3.291 9.161 135 2HD LYS 17 HD1 LYS 17 -9.255 -2.318 10.624 136 1HE LYS 17 HE2 LYS 17 -10.615 -1.128 8.261 137 2HE LYS 17 HE1 LYS 17 -11.473 -2.332 9.217 138 1HZ LYS 17 HZ1 LYS 17 -11.047 -0.970 11.196 139 2HZ LYS 17 HZ2 LYS 17 -11.961 -0.141 10.040 140 3HZ LYS 17 HZ3 LYS 17 -10.317 0.208 10.226 141 H ASN 18 HN ASN 18 -4.406 -3.640 7.555 142 HA ASN 18 HA ASN 18 -2.296 -3.513 9.613 143 1HB ASN 18 HB2 ASN 18 -3.980 -5.634 9.207 144 2HB ASN 18 HB1 ASN 18 -2.651 -6.052 8.136 145 1HD2 ASN 18 HD21 ASN 18 -2.172 -7.830 9.460 146 2HD2 ASN 18 HD22 ASN 18 -1.334 -7.634 10.959 147 H ILE 19 HN ILE 19 -1.469 -1.888 7.971 148 HA ILE 19 HA ILE 19 -0.753 -2.319 5.408 149 HB ILE 19 HB ILE 19 0.817 -0.913 7.547 150 1HG1 ILE 19 HG12 ILE 19 -1.303 0.126 6.881 151 2HG1 ILE 19 HG11 ILE 19 0.059 1.093 6.339 152 1HG2 ILE 19 HG21 ILE 19 1.426 -0.771 4.603 153 2HG2 ILE 19 HG22 ILE 19 2.302 -1.814 5.717 154 3HG2 ILE 19 HG23 ILE 19 2.339 -0.067 5.936 155 1HD1 ILE 19 HD11 ILE 19 -1.371 1.122 4.531 156 2HD1 ILE 19 HD12 ILE 19 -1.808 -0.573 4.710 157 3HD1 ILE 19 HD13 ILE 19 -0.213 -0.134 4.103 158 HA PRO 20 HA PRO 20 3.404 -4.638 6.925 159 1HB PRO 20 HB2 PRO 20 1.837 -6.141 8.997 160 2HB PRO 20 HB1 PRO 20 3.567 -5.753 8.965 161 1HG PRO 20 HG2 PRO 20 1.920 -4.351 10.493 162 2HG PRO 20 HG1 PRO 20 3.215 -3.541 9.598 163 1HD PRO 20 HD2 PRO 20 0.287 -3.579 9.076 164 2HD PRO 20 HD1 PRO 20 1.478 -2.307 8.742 165 H MET 21 HN MET 21 0.191 -6.014 7.417 166 HA MET 21 HA MET 21 0.685 -8.446 6.029 167 1HB MET 21 HB2 MET 21 -1.090 -7.797 7.831 168 2HB MET 21 HB1 MET 21 -2.039 -7.257 6.451 169 1HG MET 21 HG2 MET 21 -2.525 -9.566 7.283 170 2HG MET 21 HG1 MET 21 -2.174 -9.429 5.562 171 1HE MET 21 HE1 MET 21 -0.455 -9.859 8.983 172 2HE MET 21 HE2 MET 21 0.946 -9.252 8.094 173 3HE MET 21 HE3 MET 21 0.907 -10.927 8.645 174 H TRP 22 HN TRP 22 -0.888 -5.387 5.221 175 HA TRP 22 HA TRP 22 -1.808 -5.871 2.684 176 1HB TRP 22 HB2 TRP 22 -2.125 -3.799 4.010 177 2HB TRP 22 HB1 TRP 22 -0.457 -3.358 3.703 178 HD1 TRP 22 HD1 TRP 22 -3.793 -3.811 1.810 179 HE1 TRP 22 HE1 TRP 22 -3.727 -2.303 -0.273 180 HE3 TRP 22 HE3 TRP 22 1.030 -2.147 2.176 181 HZ2 TRP 22 HZ2 TRP 22 -1.874 -0.642 -1.598 182 HZ3 TRP 22 HZ3 TRP 22 1.873 -0.608 0.444 183 HH2 TRP 22 HH2 TRP 22 0.450 0.133 -1.395 184 H LEU 23 HN LEU 23 1.444 -5.141 3.776 185 HA LEU 23 HA LEU 23 2.606 -4.999 1.171 186 1HB LEU 23 HB2 LEU 23 3.757 -5.287 3.943 187 2HB LEU 23 HB1 LEU 23 4.739 -5.171 2.504 188 HG LEU 23 HG LEU 23 2.786 -3.047 3.356 189 1HD1 LEU 23 HD11 LEU 23 5.129 -1.897 3.796 190 2HD1 LEU 23 HD12 LEU 23 5.608 -3.567 4.119 191 3HD1 LEU 23 HD13 LEU 23 4.295 -2.827 5.039 192 1HD2 LEU 23 HD21 LEU 23 3.880 -1.669 1.737 193 2HD2 LEU 23 HD22 LEU 23 3.407 -3.173 0.943 194 3HD2 LEU 23 HD23 LEU 23 5.086 -2.914 1.416 195 H LYS 24 HN LYS 24 1.944 -7.496 3.512 196 HA LYS 24 HA LYS 24 3.736 -9.461 2.734 197 1HB LYS 24 HB2 LYS 24 1.538 -9.262 4.460 198 2HB LYS 24 HB1 LYS 24 1.139 -10.568 3.363 199 1HG LYS 24 HG2 LYS 24 3.772 -10.446 4.779 200 2HG LYS 24 HG1 LYS 24 2.337 -11.141 5.534 201 1HD LYS 24 HD2 LYS 24 3.265 -13.001 4.589 202 2HD LYS 24 HD1 LYS 24 2.196 -12.484 3.288 203 1HE LYS 24 HE2 LYS 24 4.142 -11.249 2.308 204 2HE LYS 24 HE1 LYS 24 5.164 -12.024 3.517 205 1HZ LYS 24 HZ1 LYS 24 4.548 -14.175 2.632 206 2HZ LYS 24 HZ2 LYS 24 5.200 -13.212 1.404 207 3HZ LYS 24 HZ3 LYS 24 3.528 -13.453 1.491 208 H SER 25 HN SER 25 0.617 -8.514 1.407 209 HA SER 25 HA SER 25 0.541 -10.617 -0.540 210 1HB SER 25 HB2 SER 25 -1.058 -8.038 -0.421 211 2HB SER 25 HB1 SER 25 -1.416 -9.438 -1.434 212 HG SER 25 HG SER 25 -2.350 -10.334 0.209 213 H LEU 26 HN LEU 26 2.219 -7.725 -0.251 214 HA LEU 26 HA LEU 26 2.612 -7.487 -3.157 215 1HB LEU 26 HB2 LEU 26 3.275 -5.497 -0.989 216 2HB LEU 26 HB1 LEU 26 3.436 -5.239 -2.716 217 HG LEU 26 HG LEU 26 0.820 -5.754 -1.318 218 1HD1 LEU 26 HD11 LEU 26 0.383 -3.380 -1.566 219 2HD1 LEU 26 HD12 LEU 26 1.974 -3.137 -2.287 220 3HD1 LEU 26 HD13 LEU 26 1.835 -3.633 -0.599 221 1HD2 LEU 26 HD21 LEU 26 0.384 -4.441 -3.715 222 2HD2 LEU 26 HD22 LEU 26 0.114 -6.154 -3.391 223 3HD2 LEU 26 HD23 LEU 26 1.642 -5.618 -4.096 224 H ARG 27 HN ARG 27 3.938 -8.965 -0.617 225 HA ARG 27 HA ARG 27 5.950 -9.947 -0.223 226 1HB ARG 27 HB2 ARG 27 6.368 -8.979 -3.027 227 2HB ARG 27 HB1 ARG 27 7.718 -9.653 -2.125 228 1HG ARG 27 HG2 ARG 27 5.118 -11.118 -2.445 229 2HG ARG 27 HG1 ARG 27 6.425 -11.234 -3.626 230 1HD ARG 27 HD2 ARG 27 6.782 -11.797 -0.691 231 2HD ARG 27 HD1 ARG 27 6.383 -13.042 -1.876 232 HE ARG 27 HE ARG 27 8.673 -11.574 -2.681 233 1HH1 ARG 27 HH11 ARG 27 7.623 -14.035 -0.449 234 2HH1 ARG 27 HH12 ARG 27 9.180 -14.788 -0.347 235 1HH2 ARG 27 HH21 ARG 27 10.725 -12.559 -2.554 236 2HH2 ARG 27 HH22 ARG 27 10.944 -13.949 -1.543 237 H LEU 28 HN LEU 28 5.382 -6.857 0.060 238 HA LEU 28 HA LEU 28 8.181 -6.064 0.549 239 1HB LEU 28 HB2 LEU 28 5.661 -4.420 0.267 240 2HB LEU 28 HB1 LEU 28 7.193 -3.745 0.785 241 HG LEU 28 HG LEU 28 7.542 -5.216 -1.670 242 1HD1 LEU 28 HD11 LEU 28 6.219 -3.664 -3.103 243 2HD1 LEU 28 HD12 LEU 28 5.387 -3.116 -1.648 244 3HD1 LEU 28 HD13 LEU 28 5.246 -4.796 -2.165 245 1HD2 LEU 28 HD21 LEU 28 8.057 -2.684 -2.317 246 2HD2 LEU 28 HD22 LEU 28 9.165 -3.659 -1.355 247 3HD2 LEU 28 HD23 LEU 28 8.074 -2.524 -0.561 248 H HIS 29 HN HIS 29 6.370 -7.804 2.268 249 HA HIS 29 HA HIS 29 5.745 -6.393 4.625 250 1HB HIS 29 HB2 HIS 29 6.022 -8.613 5.767 251 2HB HIS 29 HB1 HIS 29 4.950 -8.668 4.367 252 HD1 HIS 29 HD1 HIS 29 6.075 -9.662 2.125 253 HD2 HIS 29 HD2 HIS 29 8.100 -10.384 5.681 254 HE1 HIS 29 HE1 HIS 29 7.677 -11.532 1.616 255 HE2 HIS 29 HE2 HIS 29 8.847 -11.996 3.800 256 H LYS 30 HN LYS 30 8.553 -7.077 3.039 257 HA LYS 30 HA LYS 30 10.518 -7.310 5.009 258 1HB LYS 30 HB2 LYS 30 11.843 -6.035 3.058 259 2HB LYS 30 HB1 LYS 30 11.384 -7.719 2.917 260 1HG LYS 30 HG2 LYS 30 9.655 -7.251 1.457 261 2HG LYS 30 HG1 LYS 30 9.605 -5.547 1.917 262 1HD LYS 30 HD2 LYS 30 11.553 -5.059 0.723 263 2HD LYS 30 HD1 LYS 30 12.011 -6.757 0.589 264 1HE LYS 30 HE2 LYS 30 9.918 -7.062 -0.778 265 2HE LYS 30 HE1 LYS 30 9.784 -5.309 -0.821 266 1HZ LYS 30 HZ1 LYS 30 12.062 -6.910 -1.856 267 2HZ LYS 30 HZ2 LYS 30 11.978 -5.221 -1.860 268 3HZ LYS 30 HZ3 LYS 30 10.891 -6.123 -2.791 269 H TYR 31 HN TYR 31 8.889 -4.605 3.554 270 HA TYR 31 HA TYR 31 10.269 -2.709 5.308 271 1HB TYR 31 HB2 TYR 31 8.587 -2.272 2.835 272 2HB TYR 31 HB1 TYR 31 9.331 -0.992 3.787 273 HD1 TYR 31 HD1 TYR 31 9.649 -2.598 0.846 274 HD2 TYR 31 HD2 TYR 31 12.003 -1.740 4.284 275 HE1 TYR 31 HE1 TYR 31 11.698 -2.842 -0.499 276 HE2 TYR 31 HE2 TYR 31 14.056 -1.974 2.949 277 HH TYR 31 HH TYR 31 14.791 -3.075 0.879 278 H SER 32 HN SER 32 8.026 -4.620 5.967 279 HA SER 32 HA SER 32 5.630 -3.201 6.303 280 1HB SER 32 HB2 SER 32 5.023 -4.935 7.919 281 2HB SER 32 HB1 SER 32 5.801 -5.665 6.515 282 HG SER 32 HG SER 32 6.766 -5.343 9.127 283 H ASP 33 HN ASP 33 8.380 -3.694 8.467 284 HA ASP 33 HA ASP 33 7.381 -2.315 10.683 285 1HB ASP 33 HB2 ASP 33 9.502 -3.744 10.485 286 2HB ASP 33 HB1 ASP 33 10.284 -2.291 9.880 287 H ALA 34 HN ALA 34 9.098 -1.165 7.839 288 HA ALA 34 HA ALA 34 9.319 1.540 8.778 289 1HB ALA 34 HB1 ALA 34 10.391 2.021 6.743 290 2HB ALA 34 HB2 ALA 34 9.668 0.629 5.938 291 3HB ALA 34 HB3 ALA 34 10.902 0.391 7.179 292 H LEU 35 HN LEU 35 6.951 -0.240 6.979 293 HA LEU 35 HA LEU 35 5.634 2.265 6.190 294 1HB LEU 35 HB2 LEU 35 5.635 -0.509 5.113 295 2HB LEU 35 HB1 LEU 35 4.208 0.474 4.868 296 HG LEU 35 HG LEU 35 5.173 1.708 3.261 297 1HD1 LEU 35 HD11 LEU 35 7.539 2.443 3.243 298 2HD1 LEU 35 HD12 LEU 35 7.781 1.608 4.774 299 3HD1 LEU 35 HD13 LEU 35 6.649 2.954 4.674 300 1HD2 LEU 35 HD21 LEU 35 5.585 -0.424 2.362 301 2HD2 LEU 35 HD22 LEU 35 6.985 -0.699 3.406 302 3HD2 LEU 35 HD23 LEU 35 7.070 0.486 2.097 303 H SER 36 HN SER 36 5.458 -0.076 8.574 304 HA SER 36 HA SER 36 2.657 -0.443 8.766 305 1HB SER 36 HB2 SER 36 4.233 -1.974 9.866 306 2HB SER 36 HB1 SER 36 4.767 -0.673 10.931 307 HG SER 36 HG SER 36 2.038 -1.270 10.827 308 H GLY 37 HN GLY 37 4.904 1.766 10.414 309 1HA GLY 37 HA2 GLY 37 3.134 3.002 12.152 310 2HA GLY 37 HA1 GLY 37 4.536 3.788 11.441 311 H THR 38 HN THR 38 3.115 3.082 8.756 312 HA THR 38 HA THR 38 1.418 5.480 8.738 313 HB THR 38 HB THR 38 2.867 4.204 6.408 314 HG1 THR 38 HG1 THR 38 4.360 5.826 6.673 315 1HG2 THR 38 HG21 THR 38 0.683 5.675 6.161 316 2HG2 THR 38 HG22 THR 38 2.054 5.882 5.068 317 3HG2 THR 38 HG23 THR 38 1.825 6.997 6.415 318 HA PRO 39 HA PRO 39 -1.978 2.647 7.882 319 1HB PRO 39 HB2 PRO 39 -3.842 4.479 7.216 320 2HB PRO 39 HB1 PRO 39 -3.319 4.245 8.888 321 1HG PRO 39 HG2 PRO 39 -2.354 6.256 6.888 322 2HG PRO 39 HG1 PRO 39 -2.909 6.543 8.546 323 1HD PRO 39 HD2 PRO 39 -0.308 6.397 8.011 324 2HD PRO 39 HD1 PRO 39 -0.962 5.628 9.474 325 H TRP 40 HN TRP 40 -3.716 2.521 6.000 326 HA TRP 40 HA TRP 40 -2.222 2.370 3.576 327 1HB TRP 40 HB2 TRP 40 -4.191 1.488 2.538 328 2HB TRP 40 HB1 TRP 40 -4.065 0.779 4.136 329 HD1 TRP 40 HD1 TRP 40 -5.865 1.719 6.007 330 HE1 TRP 40 HE1 TRP 40 -8.247 2.639 5.672 331 HE3 TRP 40 HE3 TRP 40 -5.634 2.792 1.015 332 HZ2 TRP 40 HZ2 TRP 40 -9.817 3.702 3.570 333 HZ3 TRP 40 HZ3 TRP 40 -7.606 3.761 -0.077 334 HH2 TRP 40 HH2 TRP 40 -9.650 4.209 1.166 335 H ILE 41 HN ILE 41 -4.941 4.398 4.653 336 HA ILE 41 HA ILE 41 -5.326 5.875 2.362 337 HB ILE 41 HB ILE 41 -6.613 5.994 4.584 338 1HG1 ILE 41 HG12 ILE 41 -6.997 8.591 4.090 339 2HG1 ILE 41 HG11 ILE 41 -6.040 8.200 2.662 340 1HG2 ILE 41 HG21 ILE 41 -4.796 8.313 5.155 341 2HG2 ILE 41 HG22 ILE 41 -4.487 6.712 5.826 342 3HG2 ILE 41 HG23 ILE 41 -5.989 7.555 6.212 343 1HD1 ILE 41 HD11 ILE 41 -8.653 6.971 3.495 344 2HD1 ILE 41 HD12 ILE 41 -7.664 6.384 2.158 345 3HD1 ILE 41 HD13 ILE 41 -8.345 8.012 2.105 346 H GLU 42 HN GLU 42 -2.669 5.957 4.572 347 HA GLU 42 HA GLU 42 -1.657 8.447 3.400 348 1HB GLU 42 HB2 GLU 42 -0.807 6.840 5.807 349 2HB GLU 42 HB1 GLU 42 0.136 8.183 5.179 350 1HG GLU 42 HG2 GLU 42 -2.687 8.324 6.211 351 2HG GLU 42 HG1 GLU 42 -1.239 8.886 7.045 352 H LEU 43 HN LEU 43 -0.979 5.040 3.766 353 HA LEU 43 HA LEU 43 1.557 4.865 2.617 354 1HB LEU 43 HB2 LEU 43 -0.525 3.111 3.394 355 2HB LEU 43 HB1 LEU 43 -0.081 2.676 1.760 356 HG LEU 43 HG LEU 43 1.149 1.308 3.319 357 1HD1 LEU 43 HD11 LEU 43 3.491 1.959 2.692 358 2HD1 LEU 43 HD12 LEU 43 2.803 3.393 1.929 359 3HD1 LEU 43 HD13 LEU 43 2.361 1.787 1.350 360 1HD2 LEU 43 HD21 LEU 43 1.947 2.034 5.254 361 2HD2 LEU 43 HD22 LEU 43 1.167 3.578 4.913 362 3HD2 LEU 43 HD23 LEU 43 2.854 3.327 4.471 363 H ILE 44 HN ILE 44 -1.600 4.343 1.156 364 HA ILE 44 HA ILE 44 -0.828 4.210 -1.501 365 HB ILE 44 HB ILE 44 -3.153 4.520 -2.038 366 1HG1 ILE 44 HG12 ILE 44 -3.623 5.294 0.842 367 2HG1 ILE 44 HG11 ILE 44 -3.468 6.471 -0.444 368 1HG2 ILE 44 HG21 ILE 44 -4.142 2.894 -0.325 369 2HG2 ILE 44 HG22 ILE 44 -2.551 2.921 0.434 370 3HG2 ILE 44 HG23 ILE 44 -2.727 2.365 -1.232 371 1HD1 ILE 44 HD11 ILE 44 -5.779 5.340 0.442 372 2HD1 ILE 44 HD12 ILE 44 -5.412 4.385 -0.993 373 3HD1 ILE 44 HD13 ILE 44 -5.560 6.137 -1.113 374 H TYR 45 HN TYR 45 -0.654 6.818 0.556 375 HA TYR 45 HA TYR 45 -0.945 8.772 -1.623 376 1HB TYR 45 HB2 TYR 45 -1.337 8.915 1.323 377 2HB TYR 45 HB1 TYR 45 -0.742 10.359 0.514 378 HD1 TYR 45 HD1 TYR 45 -3.022 8.087 -1.263 379 HD2 TYR 45 HD2 TYR 45 -2.741 11.594 1.139 380 HE1 TYR 45 HE1 TYR 45 -5.330 8.687 -1.874 381 HE2 TYR 45 HE2 TYR 45 -5.043 12.201 0.529 382 HH TYR 45 HH TYR 45 -6.664 11.764 -1.216 383 H LEU 46 HN LEU 46 1.363 7.150 0.277 384 HA LEU 46 HA LEU 46 3.387 9.095 0.481 385 1HB LEU 46 HB2 LEU 46 3.728 6.116 0.137 386 2HB LEU 46 HB1 LEU 46 4.940 7.222 0.722 387 HG LEU 46 HG LEU 46 2.414 6.407 2.145 388 1HD1 LEU 46 HD11 LEU 46 4.073 5.583 3.818 389 2HD1 LEU 46 HD12 LEU 46 5.355 5.949 2.655 390 3HD1 LEU 46 HD13 LEU 46 4.126 4.737 2.270 391 1HD2 LEU 46 HD21 LEU 46 3.562 8.888 2.333 392 2HD2 LEU 46 HD22 LEU 46 4.379 7.991 3.614 393 3HD2 LEU 46 HD23 LEU 46 2.619 8.102 3.598 394 H ASP 47 HN ASP 47 5.609 8.110 -0.662 395 HA ASP 47 HA ASP 47 5.247 7.653 -3.481 396 1HB ASP 47 HB2 ASP 47 6.966 9.725 -3.741 397 2HB ASP 47 HB1 ASP 47 5.228 9.877 -3.959 398 H ASP 48 HN ASP 48 7.391 7.399 -4.564 399 HA ASP 48 HA ASP 48 8.909 5.495 -3.394 400 1HB ASP 48 HB2 ASP 48 10.699 6.246 -5.008 401 2HB ASP 48 HB1 ASP 48 9.138 5.907 -5.722 402 H GLU 49 HN GLU 49 9.564 8.974 -3.429 403 HA GLU 49 HA GLU 49 11.952 8.979 -2.014 404 1HB GLU 49 HB2 GLU 49 10.952 10.946 -3.165 405 2HB GLU 49 HB1 GLU 49 9.800 11.086 -1.845 406 1HG GLU 49 HG2 GLU 49 11.638 11.451 -0.277 407 2HG GLU 49 HG1 GLU 49 12.791 11.314 -1.603 408 H THR 50 HN THR 50 8.630 9.244 -0.690 409 HA THR 50 HA THR 50 9.401 9.491 2.000 410 HB THR 50 HB THR 50 6.857 8.308 0.871 411 HG1 THR 50 HG1 THR 50 7.177 10.879 2.017 412 1HG2 THR 50 HG21 THR 50 7.177 7.587 3.168 413 2HG2 THR 50 HG22 THR 50 5.910 8.814 3.099 414 3HG2 THR 50 HG23 THR 50 7.522 9.245 3.665 415 H LEU 51 HN LEU 51 8.351 6.608 0.188 416 HA LEU 51 HA LEU 51 8.599 4.678 2.098 417 1HB LEU 51 HB2 LEU 51 9.102 4.733 -0.853 418 2HB LEU 51 HB1 LEU 51 9.346 3.254 0.051 419 HG LEU 51 HG LEU 51 6.978 3.481 0.858 420 1HD1 LEU 51 HD11 LEU 51 6.741 5.472 -1.365 421 2HD1 LEU 51 HD12 LEU 51 6.740 5.877 0.351 422 3HD1 LEU 51 HD13 LEU 51 5.454 4.882 -0.319 423 1HD2 LEU 51 HD21 LEU 51 7.317 1.842 -0.749 424 2HD2 LEU 51 HD22 LEU 51 7.704 3.020 -2.001 425 3HD2 LEU 51 HD23 LEU 51 6.038 2.837 -1.448 426 H GLU 52 HN GLU 52 11.150 6.138 0.128 427 HA GLU 52 HA GLU 52 13.268 4.486 0.961 428 1HB GLU 52 HB2 GLU 52 13.163 6.310 -0.900 429 2HB GLU 52 HB1 GLU 52 13.617 7.421 0.391 430 1HG GLU 52 HG2 GLU 52 15.637 6.125 0.809 431 2HG GLU 52 HG1 GLU 52 15.187 4.995 -0.467 432 H LYS 53 HN LYS 53 11.924 7.475 2.185 433 HA LYS 53 HA LYS 53 13.723 7.947 4.276 434 1HB LYS 53 HB2 LYS 53 10.823 8.645 4.036 435 2HB LYS 53 HB1 LYS 53 11.861 9.277 5.296 436 1HG LYS 53 HG2 LYS 53 12.093 9.718 2.338 437 2HG LYS 53 HG1 LYS 53 11.570 10.898 3.537 438 1HD LYS 53 HD2 LYS 53 13.754 11.529 3.297 439 2HD LYS 53 HD1 LYS 53 13.955 10.305 4.559 440 1HE LYS 53 HE2 LYS 53 15.509 9.540 3.081 441 2HE LYS 53 HE1 LYS 53 14.067 8.712 2.474 442 1HZ LYS 53 HZ1 LYS 53 13.792 10.484 0.844 443 2HZ LYS 53 HZ2 LYS 53 15.293 9.727 0.667 444 3HZ LYS 53 HZ3 LYS 53 15.194 11.246 1.405 445 H LYS 54 HN LYS 54 10.872 5.882 4.110 446 HA LYS 54 HA LYS 54 10.738 5.312 6.897 447 1HB LYS 54 HB2 LYS 54 9.734 3.411 4.805 448 2HB LYS 54 HB1 LYS 54 9.027 3.831 6.358 449 1HG LYS 54 HG2 LYS 54 9.150 5.693 4.002 450 2HG LYS 54 HG1 LYS 54 7.752 4.699 4.415 451 1HD LYS 54 HD2 LYS 54 8.640 6.127 6.733 452 2HD LYS 54 HD1 LYS 54 8.411 7.254 5.395 453 1HE LYS 54 HE2 LYS 54 6.159 6.721 5.173 454 2HE LYS 54 HE1 LYS 54 6.356 5.173 5.993 455 1HZ LYS 54 HZ1 LYS 54 6.719 7.764 7.386 456 2HZ LYS 54 HZ2 LYS 54 6.487 6.235 8.072 457 3HZ LYS 54 HZ3 LYS 54 5.210 7.008 7.275 458 H GLY 55 HN GLY 55 11.815 3.470 4.087 459 1HA GLY 55 HA2 GLY 55 14.197 2.525 5.048 460 2HA GLY 55 HA1 GLY 55 12.997 1.360 5.602 461 H VAL 56 HN VAL 56 11.470 2.239 3.058 462 HA VAL 56 HA VAL 56 12.301 0.074 1.409 463 HB VAL 56 HB VAL 56 10.563 2.345 0.488 464 1HG1 VAL 56 HG11 VAL 56 9.963 -0.511 -0.032 465 2HG1 VAL 56 HG12 VAL 56 11.317 0.220 -0.885 466 3HG1 VAL 56 HG13 VAL 56 9.703 0.903 -1.046 467 1HG2 VAL 56 HG21 VAL 56 8.707 0.704 1.463 468 2HG2 VAL 56 HG22 VAL 56 9.393 2.018 2.416 469 3HG2 VAL 56 HG23 VAL 56 9.992 0.372 2.622 470 H LEU 57 HN LEU 57 14.521 0.611 1.108 471 HA LEU 57 HA LEU 57 15.264 3.029 -0.272 472 1HB LEU 57 HB2 LEU 57 16.680 0.670 0.866 473 2HB LEU 57 HB1 LEU 57 17.522 1.658 -0.312 474 HG LEU 57 HG LEU 57 17.777 3.414 1.132 475 1HD1 LEU 57 HD11 LEU 57 16.238 3.761 3.125 476 2HD1 LEU 57 HD12 LEU 57 15.191 2.547 2.390 477 3HD1 LEU 57 HD13 LEU 57 15.547 4.041 1.527 478 1HD2 LEU 57 HD21 LEU 57 18.669 1.233 2.128 479 2HD2 LEU 57 HD22 LEU 57 17.313 1.347 3.254 480 3HD2 LEU 57 HD23 LEU 57 18.526 2.627 3.199 481 H ALA 58 HN ALA 58 14.705 -0.321 -1.114 482 HA ALA 58 HA ALA 58 16.023 -0.490 -3.553 483 1HB ALA 58 HB1 ALA 58 14.897 -2.430 -3.869 484 2HB ALA 58 HB2 ALA 58 13.357 -1.733 -3.360 485 3HB ALA 58 HB3 ALA 58 14.555 -2.206 -2.150 486 H LEU 59 HN LEU 59 15.910 0.938 -5.144 487 HA LEU 59 HA LEU 59 13.825 2.661 -5.717 488 1HB LEU 59 HB2 LEU 59 16.154 1.591 -7.192 489 2HB LEU 59 HB1 LEU 59 14.849 2.194 -8.197 490 HG LEU 59 HG LEU 59 16.531 3.915 -7.825 491 1HD1 LEU 59 HD11 LEU 59 15.010 5.661 -6.888 492 2HD1 LEU 59 HD12 LEU 59 13.886 4.365 -6.475 493 3HD1 LEU 59 HD13 LEU 59 14.294 4.674 -8.163 494 1HD2 LEU 59 HD21 LEU 59 16.940 4.838 -5.622 495 2HD2 LEU 59 HD22 LEU 59 17.322 3.117 -5.632 496 3HD2 LEU 59 HD23 LEU 59 15.820 3.680 -4.903 497 H GLY 60 HN GLY 60 14.304 -0.684 -6.419 498 1HA GLY 60 HA2 GLY 60 12.206 -0.922 -8.337 499 2HA GLY 60 HA1 GLY 60 13.046 -2.242 -7.547 500 H ALA 61 HN ALA 61 12.481 -1.563 -4.868 501 HA ALA 61 HA ALA 61 9.881 -2.720 -4.635 502 1HB ALA 61 HB1 ALA 61 10.409 -3.130 -2.482 503 2HB ALA 61 HB2 ALA 61 11.191 -1.568 -2.248 504 3HB ALA 61 HB3 ALA 61 12.035 -2.861 -3.103 505 H ARG 62 HN ARG 62 11.165 0.500 -3.722 506 HA ARG 62 HA ARG 62 8.677 1.374 -2.710 507 1HB ARG 62 HB2 ARG 62 9.691 3.567 -2.535 508 2HB ARG 62 HB1 ARG 62 10.800 2.337 -1.978 509 1HG ARG 62 HG2 ARG 62 11.923 2.462 -4.214 510 2HG ARG 62 HG1 ARG 62 10.918 3.875 -4.549 511 1HD ARG 62 HD2 ARG 62 11.826 4.972 -2.537 512 2HD ARG 62 HD1 ARG 62 12.847 3.567 -2.250 513 HE ARG 62 HE ARG 62 13.872 4.132 -4.487 514 1HH1 ARG 62 HH11 ARG 62 12.390 6.550 -2.464 515 2HH1 ARG 62 HH12 ARG 62 13.375 7.841 -3.059 516 1HH2 ARG 62 HH21 ARG 62 15.192 5.836 -5.261 517 2HH2 ARG 62 HH22 ARG 62 14.965 7.436 -4.644 518 H ARG 63 HN ARG 63 10.383 2.396 -5.657 519 HA ARG 63 HA ARG 63 8.401 3.980 -6.721 520 1HB ARG 63 HB2 ARG 63 10.407 2.202 -8.097 521 2HB ARG 63 HB1 ARG 63 9.329 3.264 -8.986 522 1HG ARG 63 HG2 ARG 63 10.258 5.180 -7.697 523 2HG ARG 63 HG1 ARG 63 11.430 4.068 -6.988 524 1HD ARG 63 HD2 ARG 63 12.414 5.247 -8.869 525 2HD ARG 63 HD1 ARG 63 12.257 3.528 -9.234 526 HE ARG 63 HE ARG 63 10.314 5.516 -10.212 527 1HH1 ARG 63 HH11 ARG 63 12.474 2.835 -10.743 528 2HH1 ARG 63 HH12 ARG 63 12.012 2.624 -12.398 529 1HH2 ARG 63 HH21 ARG 63 9.700 5.247 -12.389 530 2HH2 ARG 63 HH22 ARG 63 10.436 3.996 -13.335 531 H LYS 64 HN LYS 64 8.510 0.536 -6.410 532 HA LYS 64 HA LYS 64 6.461 -0.021 -8.347 533 1HB LYS 64 HB2 LYS 64 8.070 -1.535 -6.389 534 2HB LYS 64 HB1 LYS 64 6.481 -2.202 -6.746 535 1HG LYS 64 HG2 LYS 64 7.020 -2.211 -9.140 536 2HG LYS 64 HG1 LYS 64 8.625 -1.578 -8.769 537 1HD LYS 64 HD2 LYS 64 9.062 -3.590 -7.399 538 2HD LYS 64 HD1 LYS 64 7.486 -4.226 -7.877 539 1HE LYS 64 HE2 LYS 64 9.322 -5.162 -9.223 540 2HE LYS 64 HE1 LYS 64 8.165 -4.260 -10.199 541 1HZ LYS 64 HZ1 LYS 64 10.457 -3.759 -10.809 542 2HZ LYS 64 HZ2 LYS 64 10.776 -3.218 -9.238 543 3HZ LYS 64 HZ3 LYS 64 9.673 -2.383 -10.212 544 H LEU 65 HN LEU 65 6.582 0.278 -4.818 545 HA LEU 65 HA LEU 65 3.964 -0.465 -4.266 546 1HB LEU 65 HB2 LEU 65 6.023 1.155 -2.916 547 2HB LEU 65 HB1 LEU 65 4.370 1.418 -2.387 548 HG LEU 65 HG LEU 65 5.142 -1.407 -2.602 549 1HD1 LEU 65 HD11 LEU 65 6.393 0.361 -0.511 550 2HD1 LEU 65 HD12 LEU 65 7.238 -0.470 -1.819 551 3HD1 LEU 65 HD13 LEU 65 6.445 -1.402 -0.548 552 1HD2 LEU 65 HD21 LEU 65 3.899 -1.571 -0.566 553 2HD2 LEU 65 HD22 LEU 65 3.005 -0.530 -1.673 554 3HD2 LEU 65 HD23 LEU 65 3.928 0.178 -0.346 555 H LEU 66 HN LEU 66 5.242 2.424 -5.668 556 HA LEU 66 HA LEU 66 3.156 4.210 -5.186 557 1HB LEU 66 HB2 LEU 66 5.243 3.947 -7.296 558 2HB LEU 66 HB1 LEU 66 3.934 5.086 -7.557 559 HG LEU 66 HG LEU 66 5.315 5.232 -4.941 560 1HD1 LEU 66 HD11 LEU 66 6.673 5.609 -7.531 561 2HD1 LEU 66 HD12 LEU 66 7.333 5.210 -5.942 562 3HD1 LEU 66 HD13 LEU 66 6.904 6.877 -6.328 563 1HD2 LEU 66 HD21 LEU 66 4.973 7.628 -5.314 564 2HD2 LEU 66 HD22 LEU 66 3.471 6.718 -5.481 565 3HD2 LEU 66 HD23 LEU 66 4.325 7.280 -6.918 566 H LYS 67 HN LYS 67 3.337 1.446 -7.242 567 HA LYS 67 HA LYS 67 1.105 2.175 -8.908 568 1HB LYS 67 HB2 LYS 67 2.958 0.537 -9.529 569 2HB LYS 67 HB1 LYS 67 2.142 -0.612 -8.470 570 1HG LYS 67 HG2 LYS 67 0.158 -0.526 -9.806 571 2HG LYS 67 HG1 LYS 67 0.830 0.766 -10.802 572 1HD LYS 67 HD2 LYS 67 1.189 -1.128 -12.088 573 2HD LYS 67 HD1 LYS 67 2.725 -0.888 -11.255 574 1HE LYS 67 HE2 LYS 67 2.391 -3.146 -10.924 575 2HE LYS 67 HE1 LYS 67 1.675 -2.463 -9.462 576 1HZ LYS 67 HZ1 LYS 67 0.165 -3.246 -11.895 577 2HZ LYS 67 HZ2 LYS 67 -0.499 -2.638 -10.463 578 3HZ LYS 67 HZ3 LYS 67 0.258 -4.150 -10.468 579 H ALA 68 HN ALA 68 1.738 0.208 -6.081 580 HA ALA 68 HA ALA 68 -0.894 -0.837 -5.814 581 1HB ALA 68 HB1 ALA 68 -0.150 -1.453 -3.521 582 2HB ALA 68 HB2 ALA 68 1.355 -0.576 -3.809 583 3HB ALA 68 HB3 ALA 68 0.955 -1.990 -4.785 584 H PHE 69 HN PHE 69 0.605 2.146 -5.046 585 HA PHE 69 HA PHE 69 -1.128 2.981 -2.957 586 1HB PHE 69 HB2 PHE 69 0.715 4.467 -4.827 587 2HB PHE 69 HB1 PHE 69 -0.213 5.268 -3.574 588 HD1 PHE 69 HD1 PHE 69 0.423 2.350 -1.994 589 HD2 PHE 69 HD2 PHE 69 2.550 5.712 -3.512 590 HE1 PHE 69 HE1 PHE 69 2.231 1.934 -0.384 591 HE2 PHE 69 HE2 PHE 69 4.357 5.297 -1.902 592 HZ PHE 69 HZ PHE 69 4.199 3.410 -0.325 593 H GLY 70 HN GLY 70 -1.086 3.525 -6.471 594 1HA GLY 70 HA2 GLY 70 -3.330 5.302 -6.416 595 2HA GLY 70 HA1 GLY 70 -2.609 4.591 -7.844 596 H ILE 71 HN ILE 71 -2.975 1.903 -7.388 597 HA ILE 71 HA ILE 71 -5.558 1.466 -8.296 598 HB ILE 71 HB ILE 71 -3.876 -0.520 -6.756 599 1HG1 ILE 71 HG12 ILE 71 -3.919 -0.300 -9.747 600 2HG1 ILE 71 HG11 ILE 71 -2.864 0.755 -8.813 601 1HG2 ILE 71 HG21 ILE 71 -5.910 -1.032 -8.916 602 2HG2 ILE 71 HG22 ILE 71 -6.276 -1.100 -7.193 603 3HG2 ILE 71 HG23 ILE 71 -5.102 -2.217 -7.889 604 1HD1 ILE 71 HD11 ILE 71 -2.843 -2.239 -8.576 605 2HD1 ILE 71 HD12 ILE 71 -1.667 -1.090 -7.928 606 3HD1 ILE 71 HD13 ILE 71 -1.800 -1.332 -9.672 607 H VAL 72 HN VAL 72 -4.318 1.574 -5.019 608 HA VAL 72 HA VAL 72 -6.657 0.506 -3.763 609 HB VAL 72 HB VAL 72 -4.459 2.232 -2.613 610 1HG1 VAL 72 HG11 VAL 72 -5.230 1.500 -0.429 611 2HG1 VAL 72 HG12 VAL 72 -6.541 0.593 -1.171 612 3HG1 VAL 72 HG13 VAL 72 -6.517 2.349 -1.282 613 1HG2 VAL 72 HG21 VAL 72 -3.955 -0.111 -3.586 614 2HG2 VAL 72 HG22 VAL 72 -4.778 -0.700 -2.145 615 3HG2 VAL 72 HG23 VAL 72 -3.344 0.307 -1.988 616 H ILE 73 HN ILE 73 -5.383 3.755 -4.290 617 HA ILE 73 HA ILE 73 -7.277 5.246 -2.933 618 HB ILE 73 HB ILE 73 -5.661 5.834 -5.408 619 1HG1 ILE 73 HG12 ILE 73 -5.476 7.039 -2.647 620 2HG1 ILE 73 HG11 ILE 73 -4.583 5.600 -3.128 621 1HG2 ILE 73 HG21 ILE 73 -6.371 8.300 -4.626 622 2HG2 ILE 73 HG22 ILE 73 -7.846 7.423 -4.204 623 3HG2 ILE 73 HG23 ILE 73 -7.238 7.389 -5.861 624 1HD1 ILE 73 HD11 ILE 73 -4.347 8.077 -4.764 625 2HD1 ILE 73 HD12 ILE 73 -3.189 6.769 -4.517 626 3HD1 ILE 73 HD13 ILE 73 -3.473 7.947 -3.240 627 H ASP 74 HN ASP 74 -7.300 4.430 -6.396 628 HA ASP 74 HA ASP 74 -9.686 5.598 -7.110 629 1HB ASP 74 HB2 ASP 74 -7.999 4.428 -8.614 630 2HB ASP 74 HB1 ASP 74 -8.759 2.910 -8.151 631 H TYR 75 HN TYR 75 -9.288 2.205 -5.952 632 HA TYR 75 HA TYR 75 -12.038 1.620 -6.011 633 1HB TYR 75 HB2 TYR 75 -9.654 0.386 -4.745 634 2HB TYR 75 HB1 TYR 75 -11.219 -0.042 -4.061 635 HD1 TYR 75 HD1 TYR 75 -11.319 0.769 -7.556 636 HD2 TYR 75 HD2 TYR 75 -10.579 -2.395 -4.815 637 HE1 TYR 75 HE1 TYR 75 -11.657 -0.860 -9.360 638 HE2 TYR 75 HE2 TYR 75 -10.911 -4.038 -6.614 639 HH TYR 75 HH TYR 75 -12.051 -4.178 -8.792 640 H LYS 76 HN LYS 76 -10.021 3.123 -3.568 641 HA LYS 76 HA LYS 76 -11.868 3.187 -1.452 642 1HB LYS 76 HB2 LYS 76 -9.792 3.952 -0.738 643 2HB LYS 76 HB1 LYS 76 -9.455 4.730 -2.270 644 1HG LYS 76 HG2 LYS 76 -10.980 6.541 -1.709 645 2HG LYS 76 HG1 LYS 76 -11.340 5.769 -0.180 646 1HD LYS 76 HD2 LYS 76 -9.707 7.644 -0.032 647 2HD LYS 76 HD1 LYS 76 -9.118 6.113 0.589 648 1HE LYS 76 HE2 LYS 76 -7.534 5.919 -0.969 649 2HE LYS 76 HE1 LYS 76 -8.556 6.594 -2.242 650 1HZ LYS 76 HZ1 LYS 76 -8.159 8.805 -1.264 651 2HZ LYS 76 HZ2 LYS 76 -6.738 8.071 -1.809 652 3HZ LYS 76 HZ3 LYS 76 -7.086 8.112 -0.155 653 H GLU 77 HN GLU 77 -11.077 5.381 -4.006 654 HA GLU 77 HA GLU 77 -12.986 7.377 -3.456 655 1HB GLU 77 HB2 GLU 77 -11.212 6.745 -5.805 656 2HB GLU 77 HB1 GLU 77 -12.150 8.216 -5.679 657 1HG GLU 77 HG2 GLU 77 -10.954 8.674 -3.513 658 2HG GLU 77 HG1 GLU 77 -9.908 7.311 -3.874 659 H ARG 78 HN ARG 78 -13.181 4.364 -5.056 660 HA ARG 78 HA ARG 78 -15.531 5.168 -6.609 661 1HB ARG 78 HB2 ARG 78 -13.775 2.733 -6.589 662 2HB ARG 78 HB1 ARG 78 -15.372 2.676 -7.319 663 1HG ARG 78 HG2 ARG 78 -14.726 4.532 -8.803 664 2HG ARG 78 HG1 ARG 78 -13.101 4.480 -8.110 665 1HD ARG 78 HD2 ARG 78 -12.817 2.202 -8.871 666 2HD ARG 78 HD1 ARG 78 -14.470 2.171 -9.483 667 HE ARG 78 HE ARG 78 -12.854 4.259 -10.606 668 1HH1 ARG 78 HH11 ARG 78 -13.802 0.918 -10.878 669 2HH1 ARG 78 HH12 ARG 78 -13.438 0.820 -12.568 670 1HH2 ARG 78 HH21 ARG 78 -12.374 4.140 -12.831 671 2HH2 ARG 78 HH22 ARG 78 -12.628 2.651 -13.679 672 H ASP 79 HN ASP 79 -15.145 4.611 -3.555 673 HA ASP 79 HA ASP 79 -16.421 3.832 -1.846 674 1HB ASP 79 HB2 ASP 79 -18.235 4.928 -3.221 675 2HB ASP 79 HB1 ASP 79 -18.574 3.346 -3.914 676 H LEU 80 HN LEU 80 -14.869 2.028 -3.741 677 HA LEU 80 HA LEU 80 -16.247 -0.501 -3.532 678 1HB LEU 80 HB2 LEU 80 -13.884 0.510 -4.917 679 2HB LEU 80 HB1 LEU 80 -13.662 -1.100 -4.263 680 HG LEU 80 HG LEU 80 -16.038 -1.465 -5.440 681 1HD1 LEU 80 HD11 LEU 80 -16.161 -0.288 -7.536 682 2HD1 LEU 80 HD12 LEU 80 -14.668 0.580 -7.172 683 3HD1 LEU 80 HD13 LEU 80 -16.121 0.882 -6.216 684 1HD2 LEU 80 HD21 LEU 80 -13.954 -2.740 -5.793 685 2HD2 LEU 80 HD22 LEU 80 -13.425 -1.488 -6.917 686 3HD2 LEU 80 HD23 LEU 80 -14.851 -2.456 -7.288 687 H ILE 81 HN ILE 81 -13.643 1.212 -1.936 688 HA ILE 81 HA ILE 81 -12.976 -1.023 -0.211 689 HB ILE 81 HB ILE 81 -12.057 1.856 -0.177 690 1HG1 ILE 81 HG12 ILE 81 -10.688 -0.684 -1.084 691 2HG1 ILE 81 HG11 ILE 81 -11.290 0.593 -2.133 692 1HG2 ILE 81 HG21 ILE 81 -10.941 -0.473 1.387 693 2HG2 ILE 81 HG22 ILE 81 -12.003 0.760 2.067 694 3HG2 ILE 81 HG23 ILE 81 -10.409 1.207 1.457 695 1HD1 ILE 81 HD11 ILE 81 -9.017 0.774 -0.175 696 2HD1 ILE 81 HD12 ILE 81 -9.675 2.145 -1.068 697 3HD1 ILE 81 HD13 ILE 81 -8.923 0.807 -1.936 698 H ASP 82 HN ASP 82 -13.727 -1.356 1.806 699 HA ASP 82 HA ASP 82 -16.076 -0.148 2.698 700 1HB ASP 82 HB2 ASP 82 -14.845 -2.378 3.413 701 2HB ASP 82 HB1 ASP 82 -14.177 -1.337 4.672 702 H ARG 83 HN ARG 83 -16.496 1.646 3.827 703 HA ARG 83 HA ARG 83 -14.560 3.629 4.219 704 1HB ARG 83 HB2 ARG 83 -17.295 3.301 5.473 705 2HB ARG 83 HB1 ARG 83 -16.320 4.760 5.600 706 1HG ARG 83 HG2 ARG 83 -17.251 3.571 2.995 707 2HG ARG 83 HG1 ARG 83 -18.087 4.863 3.860 708 1HD ARG 83 HD2 ARG 83 -16.255 6.348 3.584 709 2HD ARG 83 HD1 ARG 83 -15.205 5.051 3.018 710 HE ARG 83 HE ARG 83 -16.271 5.120 0.934 711 1HH1 ARG 83 HH11 ARG 83 -17.628 7.424 3.169 712 2HH1 ARG 83 HH12 ARG 83 -18.431 8.340 1.937 713 1HH2 ARG 83 HH21 ARG 83 -17.325 6.318 -0.693 714 2HH2 ARG 83 HH22 ARG 83 -18.258 7.711 -0.258 715 H SER 84 HN SER 84 -15.189 0.832 5.990 716 HA SER 84 HA SER 84 -14.553 1.700 8.607 717 1HB SER 84 HB2 SER 84 -15.656 -0.466 8.128 718 2HB SER 84 HB1 SER 84 -14.164 -1.045 7.386 719 HG SER 84 HG SER 84 -13.192 -0.517 9.514 720 H ALA 85 HN ALA 85 -12.621 0.697 5.850 721 HA ALA 85 HA ALA 85 -10.159 0.349 7.188 722 1HB ALA 85 HB1 ALA 85 -9.179 0.840 4.896 723 2HB ALA 85 HB2 ALA 85 -10.841 1.047 4.336 724 3HB ALA 85 HB3 ALA 85 -10.314 -0.503 4.989 725 H TYR 86 HN TYR 86 -11.756 3.101 5.737 726 HA TYR 86 HA TYR 86 -9.875 5.058 5.670 727 1HB TYR 86 HB2 TYR 86 -12.735 5.229 6.609 728 2HB TYR 86 HB1 TYR 86 -11.723 6.652 6.430 729 HD1 TYR 86 HD1 TYR 86 -11.830 3.677 4.216 730 HD2 TYR 86 HD2 TYR 86 -12.774 7.793 4.680 731 HE1 TYR 86 HE1 TYR 86 -12.433 3.792 1.838 732 HE2 TYR 86 HE2 TYR 86 -13.383 7.930 2.301 733 HH TYR 86 HH TYR 86 -13.823 5.177 0.357 Start of MODEL 8 1 1H SER 1 HT1 SER 1 6.099 -13.143 -9.608 2 2H SER 1 HT2 SER 1 6.720 -14.683 -9.935 3 3H SER 1 HT3 SER 1 6.502 -14.182 -8.334 4 HA SER 1 HA SER 1 4.338 -14.592 -10.312 5 1HB SER 1 HB2 SER 1 5.172 -16.274 -7.934 6 2HB SER 1 HB1 SER 1 3.743 -16.554 -8.927 7 HG SER 1 HG SER 1 6.443 -16.953 -9.527 8 H ASN 2 HN ASN 2 5.415 -13.266 -7.331 9 HA ASN 2 HA ASN 2 2.637 -12.603 -6.604 10 1HB ASN 2 HB2 ASN 2 5.068 -12.884 -4.825 11 2HB ASN 2 HB1 ASN 2 3.494 -12.310 -4.280 12 1HD2 ASN 2 HD21 ASN 2 2.045 -14.153 -6.023 13 2HD2 ASN 2 HD22 ASN 2 2.186 -15.710 -5.290 14 H SER 3 HN SER 3 3.064 -10.593 -4.815 15 HA SER 3 HA SER 3 3.268 -8.330 -4.708 16 1HB SER 3 HB2 SER 3 5.429 -7.510 -4.880 17 2HB SER 3 HB1 SER 3 5.752 -9.241 -4.807 18 HG SER 3 HG SER 3 6.817 -8.006 -6.542 19 H SER 4 HN SER 4 1.895 -9.556 -7.006 20 HA SER 4 HA SER 4 2.430 -7.802 -9.244 21 1HB SER 4 HB2 SER 4 0.235 -9.848 -8.860 22 2HB SER 4 HB1 SER 4 0.637 -9.034 -10.372 23 HG SER 4 HG SER 4 1.904 -11.128 -9.094 24 H MET 5 HN MET 5 1.270 -6.942 -6.509 25 HA MET 5 HA MET 5 -0.190 -5.386 -5.726 26 1HB MET 5 HB2 MET 5 0.099 -4.663 -8.603 27 2HB MET 5 HB1 MET 5 -1.150 -3.861 -7.663 28 1HG MET 5 HG2 MET 5 1.014 -2.639 -7.785 29 2HG MET 5 HG1 MET 5 0.442 -2.965 -6.149 30 1HE MET 5 HE1 MET 5 4.034 -3.267 -5.229 31 2HE MET 5 HE2 MET 5 2.579 -2.272 -5.317 32 3HE MET 5 HE3 MET 5 3.739 -2.259 -6.644 33 H ASN 6 HN ASN 6 -1.613 -7.185 -5.180 34 HA ASN 6 HA ASN 6 -3.768 -7.892 -6.925 35 1HB ASN 6 HB2 ASN 6 -3.270 -8.442 -3.995 36 2HB ASN 6 HB1 ASN 6 -4.658 -9.066 -4.883 37 1HD2 ASN 6 HD21 ASN 6 -4.296 -10.516 -6.614 38 2HD2 ASN 6 HD22 ASN 6 -2.867 -11.489 -6.662 39 HA PRO 7 HA PRO 7 -6.092 -4.155 -5.823 40 1HB PRO 7 HB2 PRO 7 -8.116 -5.399 -7.585 41 2HB PRO 7 HB1 PRO 7 -7.371 -3.800 -7.685 42 1HG PRO 7 HG2 PRO 7 -6.737 -5.725 -9.427 43 2HG PRO 7 HG1 PRO 7 -5.513 -4.591 -8.823 44 1HD PRO 7 HD2 PRO 7 -6.051 -7.419 -7.988 45 2HD PRO 7 HD1 PRO 7 -4.498 -6.613 -8.269 46 H LYS 8 HN LYS 8 -6.682 -7.430 -5.282 47 HA LYS 8 HA LYS 8 -9.258 -7.158 -4.047 48 1HB LYS 8 HB2 LYS 8 -7.243 -9.383 -4.204 49 2HB LYS 8 HB1 LYS 8 -8.658 -9.507 -3.172 50 1HG LYS 8 HG2 LYS 8 -9.104 -10.622 -5.225 51 2HG LYS 8 HG1 LYS 8 -10.087 -9.158 -5.172 52 1HD LYS 8 HD2 LYS 8 -9.151 -9.424 -7.379 53 2HD LYS 8 HD1 LYS 8 -8.376 -8.047 -6.592 54 1HE LYS 8 HE2 LYS 8 -6.446 -9.325 -6.089 55 2HE LYS 8 HE1 LYS 8 -7.216 -10.820 -6.614 56 1HZ LYS 8 HZ1 LYS 8 -7.079 -10.202 -8.836 57 2HZ LYS 8 HZ2 LYS 8 -5.594 -9.689 -8.207 58 3HZ LYS 8 HZ3 LYS 8 -6.829 -8.567 -8.484 59 H SER 9 HN SER 9 -5.992 -7.865 -2.856 60 HA SER 9 HA SER 9 -6.747 -7.499 -0.120 61 1HB SER 9 HB2 SER 9 -4.289 -8.235 -1.602 62 2HB SER 9 HB1 SER 9 -4.046 -7.477 -0.031 63 HG SER 9 HG SER 9 -4.843 -9.988 -0.610 64 H LEU 10 HN LEU 10 -5.121 -5.557 -2.558 65 HA LEU 10 HA LEU 10 -4.241 -3.506 -0.844 66 1HB LEU 10 HB2 LEU 10 -4.999 -3.305 -3.755 67 2HB LEU 10 HB1 LEU 10 -4.019 -2.163 -2.863 68 HG LEU 10 HG LEU 10 -3.243 -5.031 -3.364 69 1HD1 LEU 10 HD11 LEU 10 -3.406 -3.446 -5.380 70 2HD1 LEU 10 HD12 LEU 10 -1.910 -4.342 -5.129 71 3HD1 LEU 10 HD13 LEU 10 -2.004 -2.642 -4.672 72 1HD2 LEU 10 HD21 LEU 10 -2.258 -3.023 -1.597 73 2HD2 LEU 10 HD22 LEU 10 -1.038 -3.379 -2.817 74 3HD2 LEU 10 HD23 LEU 10 -1.697 -4.678 -1.822 75 H THR 11 HN THR 11 -7.385 -4.404 -1.665 76 HA THR 11 HA THR 11 -8.321 -1.712 -0.892 77 HB THR 11 HB THR 11 -10.109 -1.757 -2.442 78 HG1 THR 11 HG1 THR 11 -9.811 -4.423 -2.268 79 1HG2 THR 11 HG21 THR 11 -7.784 -1.296 -3.347 80 2HG2 THR 11 HG22 THR 11 -8.988 -1.765 -4.541 81 3HG2 THR 11 HG23 THR 11 -7.801 -2.939 -3.982 82 H ASP 12 HN ASP 12 -7.913 -4.418 0.463 83 HA ASP 12 HA ASP 12 -10.644 -4.731 1.504 84 1HB ASP 12 HB2 ASP 12 -9.451 -6.758 0.472 85 2HB ASP 12 HB1 ASP 12 -8.387 -6.704 1.873 86 HA PRO 13 HA PRO 13 -9.064 -2.279 4.900 87 1HB PRO 13 HB2 PRO 13 -11.311 -3.783 6.208 88 2HB PRO 13 HB1 PRO 13 -10.861 -2.078 6.368 89 1HG PRO 13 HG2 PRO 13 -12.861 -2.745 4.786 90 2HG PRO 13 HG1 PRO 13 -11.675 -1.528 4.252 91 1HD PRO 13 HD2 PRO 13 -11.981 -4.388 3.421 92 2HD PRO 13 HD1 PRO 13 -11.476 -2.983 2.464 93 H LYS 14 HN LYS 14 -9.394 -5.754 4.877 94 HA LYS 14 HA LYS 14 -8.369 -6.314 7.440 95 1HB LYS 14 HB2 LYS 14 -9.335 -7.886 5.523 96 2HB LYS 14 HB1 LYS 14 -7.627 -8.078 5.151 97 1HG LYS 14 HG2 LYS 14 -8.952 -8.676 7.790 98 2HG LYS 14 HG1 LYS 14 -8.401 -9.858 6.604 99 1HD LYS 14 HD2 LYS 14 -6.635 -7.896 8.074 100 2HD LYS 14 HD1 LYS 14 -6.821 -9.606 8.474 101 1HE LYS 14 HE2 LYS 14 -5.753 -8.490 5.885 102 2HE LYS 14 HE1 LYS 14 -4.794 -9.221 7.173 103 1HZ LYS 14 HZ1 LYS 14 -5.209 -10.786 5.382 104 2HZ LYS 14 HZ2 LYS 14 -6.880 -10.606 5.575 105 3HZ LYS 14 HZ3 LYS 14 -5.958 -11.307 6.808 106 H LEU 15 HN LEU 15 -6.737 -6.073 4.302 107 HA LEU 15 HA LEU 15 -4.107 -6.198 5.409 108 1HB LEU 15 HB2 LEU 15 -5.137 -5.352 2.708 109 2HB LEU 15 HB1 LEU 15 -3.447 -5.429 3.103 110 HG LEU 15 HG LEU 15 -4.008 -7.391 1.873 111 1HD1 LEU 15 HD11 LEU 15 -3.931 -8.938 4.216 112 2HD1 LEU 15 HD12 LEU 15 -3.068 -7.435 4.564 113 3HD1 LEU 15 HD13 LEU 15 -2.579 -8.440 3.196 114 1HD2 LEU 15 HD21 LEU 15 -5.736 -8.930 2.505 115 2HD2 LEU 15 HD22 LEU 15 -6.444 -7.322 2.359 116 3HD2 LEU 15 HD23 LEU 15 -6.104 -7.995 3.953 117 H LEU 16 HN LEU 16 -6.143 -3.655 4.076 118 HA LEU 16 HA LEU 16 -4.429 -1.517 4.181 119 1HB LEU 16 HB2 LEU 16 -7.360 -1.403 4.882 120 2HB LEU 16 HB1 LEU 16 -6.388 -0.139 4.158 121 HG LEU 16 HG LEU 16 -6.900 -2.761 2.784 122 1HD1 LEU 16 HD11 LEU 16 -8.835 -2.029 1.874 123 2HD1 LEU 16 HD12 LEU 16 -8.351 -0.338 1.930 124 3HD1 LEU 16 HD13 LEU 16 -8.926 -1.135 3.391 125 1HD2 LEU 16 HD21 LEU 16 -5.183 -0.596 2.263 126 2HD2 LEU 16 HD22 LEU 16 -6.488 -0.501 1.083 127 3HD2 LEU 16 HD23 LEU 16 -5.534 -1.976 1.225 128 H LYS 17 HN LYS 17 -6.621 -2.608 6.781 129 HA LYS 17 HA LYS 17 -5.764 -0.701 8.674 130 1HB LYS 17 HB2 LYS 17 -7.075 -3.399 9.006 131 2HB LYS 17 HB1 LYS 17 -6.761 -2.304 10.346 132 1HG LYS 17 HG2 LYS 17 -8.217 -0.655 9.411 133 2HG LYS 17 HG1 LYS 17 -8.421 -1.608 7.940 134 1HD LYS 17 HD2 LYS 17 -9.473 -3.389 9.235 135 2HD LYS 17 HD1 LYS 17 -9.261 -2.446 10.711 136 1HE LYS 17 HE2 LYS 17 -10.719 -1.273 8.386 137 2HE LYS 17 HE1 LYS 17 -11.530 -2.416 9.450 138 1HZ LYS 17 HZ1 LYS 17 -10.268 0.142 10.266 139 2HZ LYS 17 HZ2 LYS 17 -10.963 -0.972 11.331 140 3HZ LYS 17 HZ3 LYS 17 -11.928 -0.176 10.193 141 H ASN 18 HN ASN 18 -4.482 -3.726 7.603 142 HA ASN 18 HA ASN 18 -2.386 -3.608 9.673 143 1HB ASN 18 HB2 ASN 18 -4.057 -5.720 9.212 144 2HB ASN 18 HB1 ASN 18 -2.728 -6.114 8.132 145 1HD2 ASN 18 HD21 ASN 18 -2.253 -7.927 9.413 146 2HD2 ASN 18 HD22 ASN 18 -1.416 -7.769 10.915 147 H ILE 19 HN ILE 19 -1.539 -1.948 8.089 148 HA ILE 19 HA ILE 19 -0.800 -2.293 5.525 149 HB ILE 19 HB ILE 19 0.755 -0.971 7.729 150 1HG1 ILE 19 HG12 ILE 19 -1.351 0.100 7.051 151 2HG1 ILE 19 HG11 ILE 19 0.029 1.078 6.585 152 1HG2 ILE 19 HG21 ILE 19 1.424 -0.701 4.810 153 2HG2 ILE 19 HG22 ILE 19 2.250 -1.836 5.872 154 3HG2 ILE 19 HG23 ILE 19 2.329 -0.108 6.200 155 1HD1 ILE 19 HD11 ILE 19 -1.336 1.189 4.732 156 2HD1 ILE 19 HD12 ILE 19 -1.812 -0.503 4.840 157 3HD1 ILE 19 HD13 ILE 19 -0.192 -0.074 4.293 158 HA PRO 20 HA PRO 20 3.326 -4.705 6.982 159 1HB PRO 20 HB2 PRO 20 1.733 -6.247 9.005 160 2HB PRO 20 HB1 PRO 20 3.469 -5.886 8.984 161 1HG PRO 20 HG2 PRO 20 1.845 -4.499 10.552 162 2HG PRO 20 HG1 PRO 20 3.152 -3.684 9.675 163 1HD PRO 20 HD2 PRO 20 0.221 -3.668 9.156 164 2HD PRO 20 HD1 PRO 20 1.431 -2.404 8.855 165 H MET 21 HN MET 21 0.101 -6.081 7.422 166 HA MET 21 HA MET 21 0.589 -8.470 5.951 167 1HB MET 21 HB2 MET 21 -1.198 -7.835 7.773 168 2HB MET 21 HB1 MET 21 -2.141 -7.308 6.386 169 1HG MET 21 HG2 MET 21 -2.633 -9.608 7.187 170 2HG MET 21 HG1 MET 21 -2.201 -9.495 5.483 171 1HE MET 21 HE1 MET 21 -0.525 -9.696 8.929 172 2HE MET 21 HE2 MET 21 0.917 -9.241 8.015 173 3HE MET 21 HE3 MET 21 0.785 -10.857 8.712 174 H TRP 22 HN TRP 22 -0.941 -5.368 5.248 175 HA TRP 22 HA TRP 22 -1.891 -5.753 2.705 176 1HB TRP 22 HB2 TRP 22 -2.165 -3.719 4.078 177 2HB TRP 22 HB1 TRP 22 -0.483 -3.309 3.816 178 HD1 TRP 22 HD1 TRP 22 -3.814 -3.551 1.897 179 HE1 TRP 22 HE1 TRP 22 -3.670 -1.991 -0.145 180 HE3 TRP 22 HE3 TRP 22 1.089 -2.146 2.304 181 HZ2 TRP 22 HZ2 TRP 22 -1.737 -0.387 -1.422 182 HZ3 TRP 22 HZ3 TRP 22 2.009 -0.601 0.616 183 HH2 TRP 22 HH2 TRP 22 0.624 0.265 -1.199 184 H LEU 23 HN LEU 23 1.372 -5.180 3.805 185 HA LEU 23 HA LEU 23 2.540 -4.966 1.209 186 1HB LEU 23 HB2 LEU 23 3.653 -5.370 3.976 187 2HB LEU 23 HB1 LEU 23 4.666 -5.297 2.554 188 HG LEU 23 HG LEU 23 2.811 -3.082 3.398 189 1HD1 LEU 23 HD11 LEU 23 5.238 -2.072 3.823 190 2HD1 LEU 23 HD12 LEU 23 5.578 -3.763 4.199 191 3HD1 LEU 23 HD13 LEU 23 4.314 -2.896 5.075 192 1HD2 LEU 23 HD21 LEU 23 3.952 -1.758 1.777 193 2HD2 LEU 23 HD22 LEU 23 3.437 -3.247 0.985 194 3HD2 LEU 23 HD23 LEU 23 5.120 -3.043 1.467 195 H LYS 24 HN LYS 24 1.797 -7.581 3.418 196 HA LYS 24 HA LYS 24 3.543 -9.540 2.563 197 1HB LYS 24 HB2 LYS 24 1.244 -9.337 4.170 198 2HB LYS 24 HB1 LYS 24 0.954 -10.638 3.033 199 1HG LYS 24 HG2 LYS 24 3.602 -10.831 4.111 200 2HG LYS 24 HG1 LYS 24 2.413 -10.719 5.408 201 1HD LYS 24 HD2 LYS 24 2.368 -12.686 3.120 202 2HD LYS 24 HD1 LYS 24 2.802 -13.040 4.792 203 1HE LYS 24 HE2 LYS 24 0.637 -12.830 5.546 204 2HE LYS 24 HE1 LYS 24 0.169 -11.782 4.203 205 1HZ LYS 24 HZ1 LYS 24 -0.819 -13.989 4.019 206 2HZ LYS 24 HZ2 LYS 24 0.715 -14.701 4.010 207 3HZ LYS 24 HZ3 LYS 24 0.241 -13.698 2.734 208 H SER 25 HN SER 25 0.463 -8.479 1.198 209 HA SER 25 HA SER 25 0.396 -10.488 -0.837 210 1HB SER 25 HB2 SER 25 -1.689 -9.507 -0.098 211 2HB SER 25 HB1 SER 25 -1.135 -7.889 -0.527 212 HG SER 25 HG SER 25 -1.024 -8.671 -2.725 213 H LEU 26 HN LEU 26 2.112 -7.623 -0.402 214 HA LEU 26 HA LEU 26 2.629 -7.317 -3.281 215 1HB LEU 26 HB2 LEU 26 3.357 -5.424 -1.048 216 2HB LEU 26 HB1 LEU 26 3.471 -5.115 -2.771 217 HG LEU 26 HG LEU 26 0.885 -5.591 -1.301 218 1HD1 LEU 26 HD11 LEU 26 0.520 -3.182 -1.540 219 2HD1 LEU 26 HD12 LEU 26 2.141 -3.002 -2.206 220 3HD1 LEU 26 HD13 LEU 26 1.927 -3.529 -0.537 221 1HD2 LEU 26 HD21 LEU 26 0.367 -4.219 -3.623 222 2HD2 LEU 26 HD22 LEU 26 0.143 -5.950 -3.373 223 3HD2 LEU 26 HD23 LEU 26 1.631 -5.350 -4.106 224 H ARG 27 HN ARG 27 3.791 -9.011 -0.829 225 HA ARG 27 HA ARG 27 5.771 -10.006 -0.324 226 1HB ARG 27 HB2 ARG 27 6.296 -9.077 -3.130 227 2HB ARG 27 HB1 ARG 27 7.554 -9.875 -2.198 228 1HG ARG 27 HG2 ARG 27 4.846 -11.107 -2.567 229 2HG ARG 27 HG1 ARG 27 6.141 -11.313 -3.751 230 1HD ARG 27 HD2 ARG 27 6.552 -11.897 -0.836 231 2HD ARG 27 HD1 ARG 27 5.885 -13.105 -1.937 232 HE ARG 27 HE ARG 27 8.236 -12.091 -3.063 233 1HH1 ARG 27 HH11 ARG 27 7.226 -13.999 -0.325 234 2HH1 ARG 27 HH12 ARG 27 8.708 -14.893 -0.241 235 1HH2 ARG 27 HH21 ARG 27 10.185 -13.262 -2.958 236 2HH2 ARG 27 HH22 ARG 27 10.389 -14.475 -1.737 237 H LEU 28 HN LEU 28 5.295 -6.962 -0.005 238 HA LEU 28 HA LEU 28 8.112 -6.193 0.430 239 1HB LEU 28 HB2 LEU 28 5.617 -4.490 0.221 240 2HB LEU 28 HB1 LEU 28 7.211 -3.861 0.581 241 HG LEU 28 HG LEU 28 6.887 -5.468 -1.907 242 1HD1 LEU 28 HD11 LEU 28 6.349 -3.044 -2.896 243 2HD1 LEU 28 HD12 LEU 28 5.493 -2.930 -1.356 244 3HD1 LEU 28 HD13 LEU 28 5.103 -4.223 -2.490 245 1HD2 LEU 28 HD21 LEU 28 9.029 -4.393 -0.985 246 2HD2 LEU 28 HD22 LEU 28 8.343 -2.868 -1.548 247 3HD2 LEU 28 HD23 LEU 28 8.650 -4.176 -2.691 248 H HIS 29 HN HIS 29 6.310 -7.898 2.177 249 HA HIS 29 HA HIS 29 5.677 -6.414 4.484 250 1HB HIS 29 HB2 HIS 29 5.926 -8.600 5.703 251 2HB HIS 29 HB1 HIS 29 4.823 -8.656 4.330 252 HD1 HIS 29 HD1 HIS 29 5.776 -9.819 2.128 253 HD2 HIS 29 HD2 HIS 29 8.014 -10.384 5.583 254 HE1 HIS 29 HE1 HIS 29 7.296 -11.757 1.630 255 HE2 HIS 29 HE2 HIS 29 8.579 -12.138 3.767 256 H LYS 30 HN LYS 30 8.514 -7.180 2.960 257 HA LYS 30 HA LYS 30 10.426 -7.362 4.964 258 1HB LYS 30 HB2 LYS 30 11.860 -6.167 3.139 259 2HB LYS 30 HB1 LYS 30 11.248 -7.768 2.819 260 1HG LYS 30 HG2 LYS 30 9.283 -6.114 1.853 261 2HG LYS 30 HG1 LYS 30 10.780 -5.271 1.463 262 1HD LYS 30 HD2 LYS 30 11.581 -7.621 0.681 263 2HD LYS 30 HD1 LYS 30 9.854 -7.975 0.598 264 1HE LYS 30 HE2 LYS 30 9.484 -6.278 -0.991 265 2HE LYS 30 HE1 LYS 30 11.063 -5.563 -0.683 266 1HZ LYS 30 HZ1 LYS 30 10.649 -8.238 -1.898 267 2HZ LYS 30 HZ2 LYS 30 12.123 -7.430 -1.714 268 3HZ LYS 30 HZ3 LYS 30 10.956 -6.828 -2.779 269 H TYR 31 HN TYR 31 8.773 -4.655 3.540 270 HA TYR 31 HA TYR 31 10.144 -2.780 5.320 271 1HB TYR 31 HB2 TYR 31 8.461 -2.305 2.857 272 2HB TYR 31 HB1 TYR 31 9.197 -1.039 3.835 273 HD1 TYR 31 HD1 TYR 31 9.546 -2.552 0.857 274 HD2 TYR 31 HD2 TYR 31 11.862 -1.830 4.351 275 HE1 TYR 31 HE1 TYR 31 11.611 -2.794 -0.459 276 HE2 TYR 31 HE2 TYR 31 13.930 -2.053 3.040 277 HH TYR 31 HH TYR 31 13.969 -2.059 -0.341 278 H SER 32 HN SER 32 7.910 -4.712 5.952 279 HA SER 32 HA SER 32 5.514 -3.332 6.356 280 1HB SER 32 HB2 SER 32 6.774 -5.709 7.681 281 2HB SER 32 HB1 SER 32 5.283 -5.030 8.329 282 HG SER 32 HG SER 32 5.220 -6.778 6.618 283 H ASP 33 HN ASP 33 8.373 -3.669 8.384 284 HA ASP 33 HA ASP 33 7.382 -2.279 10.606 285 1HB ASP 33 HB2 ASP 33 10.202 -2.695 9.608 286 2HB ASP 33 HB1 ASP 33 9.787 -2.063 11.188 287 H ALA 34 HN ALA 34 9.105 -1.207 7.711 288 HA ALA 34 HA ALA 34 9.361 1.509 8.613 289 1HB ALA 34 HB1 ALA 34 10.510 1.923 6.635 290 2HB ALA 34 HB2 ALA 34 9.700 0.615 5.778 291 3HB ALA 34 HB3 ALA 34 10.908 0.248 7.011 292 H LEU 35 HN LEU 35 6.941 -0.296 6.996 293 HA LEU 35 HA LEU 35 5.645 2.171 6.063 294 1HB LEU 35 HB2 LEU 35 5.668 -0.639 5.123 295 2HB LEU 35 HB1 LEU 35 4.169 0.241 4.933 296 HG LEU 35 HG LEU 35 4.936 1.424 3.195 297 1HD1 LEU 35 HD11 LEU 35 7.361 2.210 3.014 298 2HD1 LEU 35 HD12 LEU 35 7.514 1.730 4.703 299 3HD1 LEU 35 HD13 LEU 35 6.333 2.950 4.235 300 1HD2 LEU 35 HD21 LEU 35 5.495 -0.578 2.231 301 2HD2 LEU 35 HD22 LEU 35 6.800 -0.912 3.375 302 3HD2 LEU 35 HD23 LEU 35 7.021 0.291 2.097 303 H SER 36 HN SER 36 5.476 -0.151 8.516 304 HA SER 36 HA SER 36 2.677 -0.359 8.849 305 1HB SER 36 HB2 SER 36 4.186 -1.942 9.940 306 2HB SER 36 HB1 SER 36 4.888 -0.643 10.903 307 HG SER 36 HG SER 36 3.080 -2.058 11.792 308 H GLY 37 HN GLY 37 5.102 1.818 10.247 309 1HA GLY 37 HA2 GLY 37 3.484 3.190 12.048 310 2HA GLY 37 HA1 GLY 37 4.889 3.875 11.245 311 H THR 38 HN THR 38 3.261 3.111 8.676 312 HA THR 38 HA THR 38 1.643 5.568 8.665 313 HB THR 38 HB THR 38 3.016 4.290 6.292 314 HG1 THR 38 HG1 THR 38 3.816 6.775 7.270 315 1HG2 THR 38 HG21 THR 38 0.865 5.844 6.169 316 2HG2 THR 38 HG22 THR 38 2.183 5.988 5.005 317 3HG2 THR 38 HG23 THR 38 2.077 7.112 6.359 318 HA PRO 39 HA PRO 39 -1.781 2.726 7.924 319 1HB PRO 39 HB2 PRO 39 -3.648 4.580 7.297 320 2HB PRO 39 HB1 PRO 39 -3.107 4.315 8.958 321 1HG PRO 39 HG2 PRO 39 -2.147 6.349 6.978 322 2HG PRO 39 HG1 PRO 39 -2.684 6.615 8.646 323 1HD PRO 39 HD2 PRO 39 -0.092 6.463 8.102 324 2HD PRO 39 HD1 PRO 39 -0.742 5.639 9.538 325 H TRP 40 HN TRP 40 -3.540 2.571 6.075 326 HA TRP 40 HA TRP 40 -2.086 2.460 3.622 327 1HB TRP 40 HB2 TRP 40 -4.059 1.542 2.615 328 2HB TRP 40 HB1 TRP 40 -3.863 0.817 4.198 329 HD1 TRP 40 HD1 TRP 40 -5.624 1.653 6.134 330 HE1 TRP 40 HE1 TRP 40 -8.048 2.492 5.898 331 HE3 TRP 40 HE3 TRP 40 -5.610 2.854 1.152 332 HZ2 TRP 40 HZ2 TRP 40 -9.717 3.543 3.896 333 HZ3 TRP 40 HZ3 TRP 40 -7.663 3.779 0.166 334 HH2 TRP 40 HH2 TRP 40 -9.675 4.112 1.508 335 H ILE 41 HN ILE 41 -4.789 4.445 4.794 336 HA ILE 41 HA ILE 41 -5.289 5.918 2.525 337 HB ILE 41 HB ILE 41 -6.436 6.016 4.846 338 1HG1 ILE 41 HG12 ILE 41 -6.611 8.740 4.106 339 2HG1 ILE 41 HG11 ILE 41 -6.310 7.837 2.620 340 1HG2 ILE 41 HG21 ILE 41 -4.620 8.390 5.195 341 2HG2 ILE 41 HG22 ILE 41 -4.318 6.834 5.967 342 3HG2 ILE 41 HG23 ILE 41 -5.791 7.733 6.339 343 1HD1 ILE 41 HD11 ILE 41 -8.477 7.150 4.592 344 2HD1 ILE 41 HD12 ILE 41 -8.241 6.487 2.974 345 3HD1 ILE 41 HD13 ILE 41 -8.712 8.175 3.178 346 H GLU 42 HN GLU 42 -2.555 6.064 4.662 347 HA GLU 42 HA GLU 42 -1.603 8.536 3.407 348 1HB GLU 42 HB2 GLU 42 -0.601 6.944 5.772 349 2HB GLU 42 HB1 GLU 42 0.265 8.319 5.101 350 1HG GLU 42 HG2 GLU 42 -2.490 8.355 6.312 351 2HG GLU 42 HG1 GLU 42 -1.013 8.988 7.035 352 H LEU 43 HN LEU 43 -0.874 5.139 3.799 353 HA LEU 43 HA LEU 43 1.597 4.940 2.546 354 1HB LEU 43 HB2 LEU 43 -0.479 3.210 3.390 355 2HB LEU 43 HB1 LEU 43 -0.076 2.760 1.750 356 HG LEU 43 HG LEU 43 1.172 1.403 3.324 357 1HD1 LEU 43 HD11 LEU 43 3.493 1.982 2.582 358 2HD1 LEU 43 HD12 LEU 43 2.810 3.414 1.813 359 3HD1 LEU 43 HD13 LEU 43 2.309 1.806 1.290 360 1HD2 LEU 43 HD21 LEU 43 2.123 2.168 5.181 361 2HD2 LEU 43 HD22 LEU 43 1.275 3.683 4.869 362 3HD2 LEU 43 HD23 LEU 43 2.938 3.473 4.320 363 H ILE 44 HN ILE 44 -1.575 4.330 1.157 364 HA ILE 44 HA ILE 44 -0.911 4.221 -1.515 365 HB ILE 44 HB ILE 44 -3.247 4.573 -1.978 366 1HG1 ILE 44 HG12 ILE 44 -3.738 5.324 0.892 367 2HG1 ILE 44 HG11 ILE 44 -3.335 6.558 -0.284 368 1HG2 ILE 44 HG21 ILE 44 -4.214 3.048 -0.128 369 2HG2 ILE 44 HG22 ILE 44 -2.562 3.003 0.483 370 3HG2 ILE 44 HG23 ILE 44 -2.918 2.429 -1.147 371 1HD1 ILE 44 HD11 ILE 44 -5.793 6.125 0.227 372 2HD1 ILE 44 HD12 ILE 44 -5.602 4.660 -0.733 373 3HD1 ILE 44 HD13 ILE 44 -5.313 6.236 -1.462 374 H TYR 45 HN TYR 45 -0.770 6.907 0.532 375 HA TYR 45 HA TYR 45 -1.022 8.784 -1.720 376 1HB TYR 45 HB2 TYR 45 -1.405 9.065 1.229 377 2HB TYR 45 HB1 TYR 45 -0.929 10.478 0.297 378 HD1 TYR 45 HD1 TYR 45 -3.066 8.032 -1.375 379 HD2 TYR 45 HD2 TYR 45 -3.038 11.536 1.049 380 HE1 TYR 45 HE1 TYR 45 -5.439 8.429 -1.927 381 HE2 TYR 45 HE2 TYR 45 -5.397 11.942 0.495 382 HH TYR 45 HH TYR 45 -7.013 11.374 -1.224 383 H LEU 46 HN LEU 46 1.306 7.227 0.189 384 HA LEU 46 HA LEU 46 3.279 9.226 0.420 385 1HB LEU 46 HB2 LEU 46 3.758 6.271 0.040 386 2HB LEU 46 HB1 LEU 46 4.877 7.430 0.708 387 HG LEU 46 HG LEU 46 2.361 6.398 1.984 388 1HD1 LEU 46 HD11 LEU 46 3.997 5.716 3.749 389 2HD1 LEU 46 HD12 LEU 46 5.299 6.185 2.647 390 3HD1 LEU 46 HD13 LEU 46 4.190 4.881 2.208 391 1HD2 LEU 46 HD21 LEU 46 4.072 8.750 2.676 392 2HD2 LEU 46 HD22 LEU 46 3.256 7.827 3.936 393 3HD2 LEU 46 HD23 LEU 46 2.313 8.610 2.668 394 H ASP 47 HN ASP 47 5.535 8.204 -0.715 395 HA ASP 47 HA ASP 47 5.150 7.881 -3.568 396 1HB ASP 47 HB2 ASP 47 6.653 10.270 -2.465 397 2HB ASP 47 HB1 ASP 47 6.565 9.809 -4.161 398 H ASP 48 HN ASP 48 7.400 7.698 -4.636 399 HA ASP 48 HA ASP 48 8.832 5.637 -3.571 400 1HB ASP 48 HB2 ASP 48 10.686 6.505 -5.074 401 2HB ASP 48 HB1 ASP 48 9.151 6.187 -5.851 402 H GLU 49 HN GLU 49 9.531 9.095 -3.351 403 HA GLU 49 HA GLU 49 11.859 9.018 -1.857 404 1HB GLU 49 HB2 GLU 49 11.009 11.096 -2.787 405 2HB GLU 49 HB1 GLU 49 9.622 11.040 -1.709 406 1HG GLU 49 HG2 GLU 49 11.143 11.255 0.227 407 2HG GLU 49 HG1 GLU 49 12.502 11.380 -0.895 408 H THR 50 HN THR 50 8.608 9.597 -0.478 409 HA THR 50 HA THR 50 9.245 9.459 2.182 410 HB THR 50 HB THR 50 6.718 8.391 0.914 411 HG1 THR 50 HG1 THR 50 7.709 10.890 1.180 412 1HG2 THR 50 HG21 THR 50 6.995 7.629 3.219 413 2HG2 THR 50 HG22 THR 50 5.703 8.824 3.105 414 3HG2 THR 50 HG23 THR 50 7.278 9.289 3.743 415 H LEU 51 HN LEU 51 8.420 6.746 0.051 416 HA LEU 51 HA LEU 51 8.471 4.688 1.921 417 1HB LEU 51 HB2 LEU 51 9.174 4.790 -1.004 418 2HB LEU 51 HB1 LEU 51 9.232 3.290 -0.096 419 HG LEU 51 HG LEU 51 6.753 4.993 -0.276 420 1HD1 LEU 51 HD11 LEU 51 5.956 3.541 -2.012 421 2HD1 LEU 51 HD12 LEU 51 7.435 2.583 -1.945 422 3HD1 LEU 51 HD13 LEU 51 7.489 4.250 -2.519 423 1HD2 LEU 51 HD21 LEU 51 5.701 2.775 0.304 424 2HD2 LEU 51 HD22 LEU 51 6.660 3.525 1.579 425 3HD2 LEU 51 HD23 LEU 51 7.328 2.187 0.644 426 H GLU 52 HN GLU 52 11.103 6.218 0.126 427 HA GLU 52 HA GLU 52 13.195 4.554 1.043 428 1HB GLU 52 HB2 GLU 52 13.169 6.376 -0.825 429 2HB GLU 52 HB1 GLU 52 13.542 7.492 0.485 430 1HG GLU 52 HG2 GLU 52 15.523 6.072 1.024 431 2HG GLU 52 HG1 GLU 52 15.190 5.154 -0.443 432 H LYS 53 HN LYS 53 11.747 7.521 2.184 433 HA LYS 53 HA LYS 53 13.419 8.062 4.361 434 1HB LYS 53 HB2 LYS 53 10.464 8.654 4.256 435 2HB LYS 53 HB1 LYS 53 11.710 9.544 5.119 436 1HG LYS 53 HG2 LYS 53 11.814 9.272 2.147 437 2HG LYS 53 HG1 LYS 53 10.804 10.502 2.907 438 1HD LYS 53 HD2 LYS 53 13.723 10.186 3.555 439 2HD LYS 53 HD1 LYS 53 13.158 11.192 2.217 440 1HE LYS 53 HE2 LYS 53 11.861 11.570 4.837 441 2HE LYS 53 HE1 LYS 53 13.525 12.139 4.687 442 1HZ LYS 53 HZ1 LYS 53 11.922 13.874 4.143 443 2HZ LYS 53 HZ2 LYS 53 11.265 12.913 2.916 444 3HZ LYS 53 HZ3 LYS 53 12.855 13.474 2.790 445 H LYS 54 HN LYS 54 10.686 5.900 3.990 446 HA LYS 54 HA LYS 54 10.301 5.227 6.709 447 1HB LYS 54 HB2 LYS 54 9.743 3.703 4.172 448 2HB LYS 54 HB1 LYS 54 9.206 3.179 5.740 449 1HG LYS 54 HG2 LYS 54 8.095 5.156 3.910 450 2HG LYS 54 HG1 LYS 54 7.329 4.175 5.144 451 1HD LYS 54 HD2 LYS 54 8.447 5.804 6.800 452 2HD LYS 54 HD1 LYS 54 8.582 6.861 5.376 453 1HE LYS 54 HE2 LYS 54 6.348 6.988 5.083 454 2HE LYS 54 HE1 LYS 54 6.065 5.433 5.847 455 1HZ LYS 54 HZ1 LYS 54 5.263 7.352 7.178 456 2HZ LYS 54 HZ2 LYS 54 6.855 7.904 7.308 457 3HZ LYS 54 HZ3 LYS 54 6.415 6.424 7.997 458 H GLY 55 HN GLY 55 11.831 3.581 4.039 459 1HA GLY 55 HA2 GLY 55 14.200 2.789 5.049 460 2HA GLY 55 HA1 GLY 55 13.081 1.567 5.662 461 H VAL 56 HN VAL 56 11.470 2.296 3.144 462 HA VAL 56 HA VAL 56 12.311 0.147 1.502 463 HB VAL 56 HB VAL 56 10.520 2.406 0.617 464 1HG1 VAL 56 HG11 VAL 56 9.900 -0.423 0.052 465 2HG1 VAL 56 HG12 VAL 56 11.310 0.253 -0.756 466 3HG1 VAL 56 HG13 VAL 56 9.729 1.003 -0.967 467 1HG2 VAL 56 HG21 VAL 56 8.748 0.627 1.611 468 2HG2 VAL 56 HG22 VAL 56 9.322 2.038 2.505 469 3HG2 VAL 56 HG23 VAL 56 10.060 0.455 2.777 470 H LEU 57 HN LEU 57 14.541 0.778 1.231 471 HA LEU 57 HA LEU 57 15.223 3.159 -0.226 472 1HB LEU 57 HB2 LEU 57 16.686 0.845 0.943 473 2HB LEU 57 HB1 LEU 57 17.504 1.828 -0.257 474 HG LEU 57 HG LEU 57 17.739 3.611 1.158 475 1HD1 LEU 57 HD11 LEU 57 16.214 3.952 3.165 476 2HD1 LEU 57 HD12 LEU 57 15.182 2.716 2.449 477 3HD1 LEU 57 HD13 LEU 57 15.505 4.206 1.572 478 1HD2 LEU 57 HD21 LEU 57 18.698 1.484 2.178 479 2HD2 LEU 57 HD22 LEU 57 17.332 1.547 3.298 480 3HD2 LEU 57 HD23 LEU 57 18.497 2.872 3.247 481 H ALA 58 HN ALA 58 14.732 -0.220 -0.997 482 HA ALA 58 HA ALA 58 16.046 -0.423 -3.431 483 1HB ALA 58 HB1 ALA 58 14.957 -2.391 -3.689 484 2HB ALA 58 HB2 ALA 58 13.403 -1.708 -3.210 485 3HB ALA 58 HB3 ALA 58 14.601 -2.123 -1.980 486 H LEU 59 HN LEU 59 15.913 0.967 -5.053 487 HA LEU 59 HA LEU 59 13.803 2.647 -5.677 488 1HB LEU 59 HB2 LEU 59 16.087 1.496 -7.217 489 2HB LEU 59 HB1 LEU 59 14.807 2.280 -8.122 490 HG LEU 59 HG LEU 59 16.721 3.774 -7.637 491 1HD1 LEU 59 HD11 LEU 59 15.361 5.649 -6.794 492 2HD1 LEU 59 HD12 LEU 59 14.096 4.497 -6.357 493 3HD1 LEU 59 HD13 LEU 59 14.539 4.721 -8.051 494 1HD2 LEU 59 HD21 LEU 59 17.150 4.552 -5.412 495 2HD2 LEU 59 HD22 LEU 59 17.245 2.792 -5.412 496 3HD2 LEU 59 HD23 LEU 59 15.815 3.595 -4.769 497 H GLY 60 HN GLY 60 14.326 -0.704 -6.279 498 1HA GLY 60 HA2 GLY 60 12.267 -1.030 -8.220 499 2HA GLY 60 HA1 GLY 60 13.095 -2.313 -7.359 500 H ALA 61 HN ALA 61 12.477 -1.493 -4.722 501 HA ALA 61 HA ALA 61 9.880 -2.632 -4.478 502 1HB ALA 61 HB1 ALA 61 10.363 -2.889 -2.267 503 2HB ALA 61 HB2 ALA 61 11.243 -1.370 -2.158 504 3HB ALA 61 HB3 ALA 61 11.990 -2.773 -2.927 505 H ARG 62 HN ARG 62 11.174 0.579 -3.533 506 HA ARG 62 HA ARG 62 8.685 1.524 -2.638 507 1HB ARG 62 HB2 ARG 62 9.721 3.723 -2.560 508 2HB ARG 62 HB1 ARG 62 10.765 2.502 -1.879 509 1HG ARG 62 HG2 ARG 62 12.027 2.470 -4.021 510 2HG ARG 62 HG1 ARG 62 11.049 3.843 -4.546 511 1HD ARG 62 HD2 ARG 62 11.809 5.084 -2.534 512 2HD ARG 62 HD1 ARG 62 12.865 3.734 -2.143 513 HE ARG 62 HE ARG 62 13.884 4.233 -4.430 514 1HH1 ARG 62 HH11 ARG 62 12.442 6.654 -2.378 515 2HH1 ARG 62 HH12 ARG 62 13.469 7.929 -2.940 516 1HH2 ARG 62 HH21 ARG 62 15.257 5.915 -5.159 517 2HH2 ARG 62 HH22 ARG 62 15.063 7.510 -4.518 518 H ARG 63 HN ARG 63 10.452 2.513 -5.567 519 HA ARG 63 HA ARG 63 8.468 4.048 -6.692 520 1HB ARG 63 HB2 ARG 63 10.411 2.229 -8.120 521 2HB ARG 63 HB1 ARG 63 9.461 3.483 -8.901 522 1HG ARG 63 HG2 ARG 63 10.571 5.143 -7.401 523 2HG ARG 63 HG1 ARG 63 11.629 3.843 -6.849 524 1HD ARG 63 HD2 ARG 63 12.740 5.095 -8.584 525 2HD ARG 63 HD1 ARG 63 12.348 3.484 -9.185 526 HE ARG 63 HE ARG 63 10.662 5.818 -9.814 527 1HH1 ARG 63 HH11 ARG 63 12.518 3.035 -10.794 528 2HH1 ARG 63 HH12 ARG 63 12.055 3.151 -12.459 529 1HH2 ARG 63 HH21 ARG 63 10.050 5.981 -12.006 530 2HH2 ARG 63 HH22 ARG 63 10.656 4.829 -13.148 531 H LYS 64 HN LYS 64 8.655 0.620 -6.313 532 HA LYS 64 HA LYS 64 6.611 -0.023 -8.243 533 1HB LYS 64 HB2 LYS 64 8.342 -1.646 -7.673 534 2HB LYS 64 HB1 LYS 64 7.812 -1.645 -5.992 535 1HG LYS 64 HG2 LYS 64 5.698 -2.633 -6.636 536 2HG LYS 64 HG1 LYS 64 6.149 -2.550 -8.341 537 1HD LYS 64 HD2 LYS 64 8.086 -4.033 -7.829 538 2HD LYS 64 HD1 LYS 64 7.463 -4.203 -6.187 539 1HE LYS 64 HE2 LYS 64 6.773 -6.097 -7.521 540 2HE LYS 64 HE1 LYS 64 5.367 -5.118 -7.106 541 1HZ LYS 64 HZ1 LYS 64 6.804 -5.078 -9.705 542 2HZ LYS 64 HZ2 LYS 64 5.469 -4.119 -9.311 543 3HZ LYS 64 HZ3 LYS 64 5.301 -5.798 -9.414 544 H LEU 65 HN LEU 65 6.780 0.424 -4.741 545 HA LEU 65 HA LEU 65 4.218 -0.423 -4.076 546 1HB LEU 65 HB2 LEU 65 6.240 1.349 -2.873 547 2HB LEU 65 HB1 LEU 65 4.593 1.595 -2.321 548 HG LEU 65 HG LEU 65 5.435 -1.207 -2.385 549 1HD1 LEU 65 HD11 LEU 65 6.804 0.779 -0.595 550 2HD1 LEU 65 HD12 LEU 65 7.538 -0.382 -1.702 551 3HD1 LEU 65 HD13 LEU 65 6.717 -0.948 -0.247 552 1HD2 LEU 65 HD21 LEU 65 4.364 -1.166 -0.160 553 2HD2 LEU 65 HD22 LEU 65 3.320 -0.543 -1.439 554 3HD2 LEU 65 HD23 LEU 65 4.128 0.572 -0.334 555 H LEU 66 HN LEU 66 5.308 2.408 -5.704 556 HA LEU 66 HA LEU 66 3.114 4.107 -5.241 557 1HB LEU 66 HB2 LEU 66 5.228 3.927 -7.346 558 2HB LEU 66 HB1 LEU 66 3.875 5.018 -7.581 559 HG LEU 66 HG LEU 66 5.255 5.211 -4.973 560 1HD1 LEU 66 HD11 LEU 66 6.606 5.699 -7.573 561 2HD1 LEU 66 HD12 LEU 66 7.270 5.139 -6.034 562 3HD1 LEU 66 HD13 LEU 66 6.873 6.843 -6.258 563 1HD2 LEU 66 HD21 LEU 66 4.870 7.592 -5.354 564 2HD2 LEU 66 HD22 LEU 66 3.386 6.663 -5.563 565 3HD2 LEU 66 HD23 LEU 66 4.272 7.241 -6.975 566 H LYS 67 HN LYS 67 3.472 1.269 -7.087 567 HA LYS 67 HA LYS 67 1.314 1.753 -8.920 568 1HB LYS 67 HB2 LYS 67 2.840 -0.731 -8.136 569 2HB LYS 67 HB1 LYS 67 1.486 -0.774 -9.247 570 1HG LYS 67 HG2 LYS 67 3.936 0.920 -9.672 571 2HG LYS 67 HG1 LYS 67 3.723 -0.701 -10.336 572 1HD LYS 67 HD2 LYS 67 1.955 1.687 -10.868 573 2HD LYS 67 HD1 LYS 67 3.130 0.993 -11.985 574 1HE LYS 67 HE2 LYS 67 0.846 -0.585 -10.837 575 2HE LYS 67 HE1 LYS 67 0.704 0.336 -12.338 576 1HZ LYS 67 HZ1 LYS 67 2.518 -0.975 -13.263 577 2HZ LYS 67 HZ2 LYS 67 1.248 -1.977 -12.770 578 3HZ LYS 67 HZ3 LYS 67 2.645 -1.857 -11.825 579 H ALA 68 HN ALA 68 1.810 0.142 -5.850 580 HA ALA 68 HA ALA 68 -0.816 -0.954 -5.655 581 1HB ALA 68 HB1 ALA 68 -0.200 -1.230 -3.225 582 2HB ALA 68 HB2 ALA 68 1.345 -0.465 -3.606 583 3HB ALA 68 HB3 ALA 68 0.901 -1.990 -4.375 584 H PHE 69 HN PHE 69 0.719 2.038 -4.674 585 HA PHE 69 HA PHE 69 -1.210 3.046 -2.942 586 1HB PHE 69 HB2 PHE 69 0.633 4.482 -4.860 587 2HB PHE 69 HB1 PHE 69 -0.307 5.277 -3.611 588 HD1 PHE 69 HD1 PHE 69 0.482 2.401 -1.998 589 HD2 PHE 69 HD2 PHE 69 2.421 5.849 -3.578 590 HE1 PHE 69 HE1 PHE 69 2.330 2.092 -0.410 591 HE2 PHE 69 HE2 PHE 69 4.269 5.542 -1.986 592 HZ PHE 69 HZ PHE 69 4.225 3.666 -0.388 593 H GLY 70 HN GLY 70 -0.970 3.271 -6.474 594 1HA GLY 70 HA2 GLY 70 -3.198 5.020 -6.754 595 2HA GLY 70 HA1 GLY 70 -2.419 4.129 -8.046 596 H ILE 71 HN ILE 71 -2.877 1.522 -7.383 597 HA ILE 71 HA ILE 71 -5.460 1.078 -8.280 598 HB ILE 71 HB ILE 71 -3.807 -0.801 -6.589 599 1HG1 ILE 71 HG12 ILE 71 -3.961 -0.956 -9.565 600 2HG1 ILE 71 HG11 ILE 71 -2.927 0.277 -8.854 601 1HG2 ILE 71 HG21 ILE 71 -5.917 -1.490 -8.623 602 2HG2 ILE 71 HG22 ILE 71 -6.251 -1.341 -6.898 603 3HG2 ILE 71 HG23 ILE 71 -5.121 -2.568 -7.475 604 1HD1 ILE 71 HD11 ILE 71 -2.724 -2.612 -8.085 605 2HD1 ILE 71 HD12 ILE 71 -1.555 -1.313 -7.827 606 3HD1 ILE 71 HD13 ILE 71 -1.848 -1.928 -9.455 607 H VAL 72 HN VAL 72 -4.242 1.415 -5.005 608 HA VAL 72 HA VAL 72 -6.666 0.608 -3.705 609 HB VAL 72 HB VAL 72 -4.487 2.391 -2.602 610 1HG1 VAL 72 HG11 VAL 72 -5.315 1.862 -0.446 611 2HG1 VAL 72 HG12 VAL 72 -6.395 0.632 -1.077 612 3HG1 VAL 72 HG13 VAL 72 -6.710 2.331 -1.412 613 1HG2 VAL 72 HG21 VAL 72 -3.897 0.004 -3.498 614 2HG2 VAL 72 HG22 VAL 72 -4.650 -0.524 -1.995 615 3HG2 VAL 72 HG23 VAL 72 -3.265 0.562 -1.952 616 H ILE 73 HN ILE 73 -5.169 3.717 -4.455 617 HA ILE 73 HA ILE 73 -7.007 5.445 -3.344 618 HB ILE 73 HB ILE 73 -5.169 5.687 -5.703 619 1HG1 ILE 73 HG12 ILE 73 -5.278 7.142 -3.055 620 2HG1 ILE 73 HG11 ILE 73 -4.309 5.705 -3.357 621 1HG2 ILE 73 HG21 ILE 73 -5.852 8.248 -5.328 622 2HG2 ILE 73 HG22 ILE 73 -7.388 7.469 -4.949 623 3HG2 ILE 73 HG23 ILE 73 -6.636 7.207 -6.520 624 1HD1 ILE 73 HD11 ILE 73 -3.968 8.100 -5.096 625 2HD1 ILE 73 HD12 ILE 73 -2.816 6.830 -4.680 626 3HD1 ILE 73 HD13 ILE 73 -3.236 8.060 -3.493 627 H ASP 74 HN ASP 74 -7.082 3.965 -6.543 628 HA ASP 74 HA ASP 74 -9.321 5.340 -7.547 629 1HB ASP 74 HB2 ASP 74 -7.762 4.033 -8.964 630 2HB ASP 74 HB1 ASP 74 -8.389 2.546 -8.261 631 H TYR 75 HN TYR 75 -9.228 1.948 -6.340 632 HA TYR 75 HA TYR 75 -11.998 1.610 -6.240 633 1HB TYR 75 HB2 TYR 75 -9.670 0.264 -4.979 634 2HB TYR 75 HB1 TYR 75 -11.226 0.010 -4.197 635 HD1 TYR 75 HD1 TYR 75 -11.479 0.573 -7.730 636 HD2 TYR 75 HD2 TYR 75 -10.755 -2.434 -4.813 637 HE1 TYR 75 HE1 TYR 75 -12.023 -1.153 -9.387 638 HE2 TYR 75 HE2 TYR 75 -11.290 -4.173 -6.465 639 HH TYR 75 HH TYR 75 -11.530 -3.552 -9.779 640 H LYS 76 HN LYS 76 -9.781 3.159 -4.095 641 HA LYS 76 HA LYS 76 -11.484 3.527 -1.864 642 1HB LYS 76 HB2 LYS 76 -9.081 3.816 -1.677 643 2HB LYS 76 HB1 LYS 76 -9.099 5.066 -2.904 644 1HG LYS 76 HG2 LYS 76 -10.833 6.039 -0.994 645 2HG LYS 76 HG1 LYS 76 -9.548 5.268 -0.057 646 1HD LYS 76 HD2 LYS 76 -8.095 6.553 -1.950 647 2HD LYS 76 HD1 LYS 76 -9.460 7.656 -1.774 648 1HE LYS 76 HE2 LYS 76 -7.705 6.640 0.457 649 2HE LYS 76 HE1 LYS 76 -7.621 8.245 -0.274 650 1HZ LYS 76 HZ1 LYS 76 -8.885 8.513 1.656 651 2HZ LYS 76 HZ2 LYS 76 -9.789 7.109 1.386 652 3HZ LYS 76 HZ3 LYS 76 -10.033 8.472 0.413 653 H GLU 77 HN GLU 77 -10.791 5.316 -4.780 654 HA GLU 77 HA GLU 77 -12.396 7.593 -4.187 655 1HB GLU 77 HB2 GLU 77 -10.881 6.550 -6.538 656 2HB GLU 77 HB1 GLU 77 -12.054 7.823 -6.803 657 1HG GLU 77 HG2 GLU 77 -10.459 8.528 -4.561 658 2HG GLU 77 HG1 GLU 77 -9.396 8.034 -5.877 659 H ARG 78 HN ARG 78 -12.981 4.466 -5.507 660 HA ARG 78 HA ARG 78 -15.544 5.263 -6.665 661 1HB ARG 78 HB2 ARG 78 -13.947 2.711 -6.737 662 2HB ARG 78 HB1 ARG 78 -15.597 2.805 -7.329 663 1HG ARG 78 HG2 ARG 78 -14.875 4.583 -8.902 664 2HG ARG 78 HG1 ARG 78 -13.214 4.322 -8.363 665 1HD ARG 78 HD2 ARG 78 -13.392 1.965 -9.070 666 2HD ARG 78 HD1 ARG 78 -15.016 2.290 -9.674 667 HE ARG 78 HE ARG 78 -12.647 3.682 -10.737 668 1HH1 ARG 78 HH11 ARG 78 -15.587 1.867 -11.191 669 2HH1 ARG 78 HH12 ARG 78 -15.559 2.006 -12.916 670 1HH2 ARG 78 HH21 ARG 78 -12.603 3.869 -13.010 671 2HH2 ARG 78 HH22 ARG 78 -13.863 3.140 -13.950 672 H ASP 79 HN ASP 79 -14.770 4.988 -3.705 673 HA ASP 79 HA ASP 79 -15.633 4.228 -1.758 674 1HB ASP 79 HB2 ASP 79 -18.238 3.962 -3.234 675 2HB ASP 79 HB1 ASP 79 -17.954 4.445 -1.568 676 H LEU 80 HN LEU 80 -14.587 2.241 -3.641 677 HA LEU 80 HA LEU 80 -16.256 -0.090 -3.352 678 1HB LEU 80 HB2 LEU 80 -13.953 0.664 -4.916 679 2HB LEU 80 HB1 LEU 80 -13.691 -0.894 -4.164 680 HG LEU 80 HG LEU 80 -16.173 -1.288 -5.127 681 1HD1 LEU 80 HD11 LEU 80 -16.397 -0.292 -7.306 682 2HD1 LEU 80 HD12 LEU 80 -14.850 0.537 -7.119 683 3HD1 LEU 80 HD13 LEU 80 -16.222 0.988 -6.103 684 1HD2 LEU 80 HD21 LEU 80 -14.177 -2.678 -5.499 685 2HD2 LEU 80 HD22 LEU 80 -13.647 -1.536 -6.734 686 3HD2 LEU 80 HD23 LEU 80 -15.130 -2.461 -6.969 687 H ILE 81 HN ILE 81 -13.514 1.358 -1.777 688 HA ILE 81 HA ILE 81 -12.938 -0.961 -0.137 689 HB ILE 81 HB ILE 81 -11.920 1.882 0.013 690 1HG1 ILE 81 HG12 ILE 81 -10.593 -0.646 -0.992 691 2HG1 ILE 81 HG11 ILE 81 -11.257 0.623 -2.015 692 1HG2 ILE 81 HG21 ILE 81 -10.876 -0.557 1.453 693 2HG2 ILE 81 HG22 ILE 81 -11.877 0.688 2.203 694 3HG2 ILE 81 HG23 ILE 81 -10.272 1.094 1.588 695 1HD1 ILE 81 HD11 ILE 81 -8.944 0.889 -0.110 696 2HD1 ILE 81 HD12 ILE 81 -9.634 2.202 -1.061 697 3HD1 ILE 81 HD13 ILE 81 -8.865 0.838 -1.872 698 H ASP 82 HN ASP 82 -13.694 -1.337 1.883 699 HA ASP 82 HA ASP 82 -16.007 -0.086 2.800 700 1HB ASP 82 HB2 ASP 82 -14.842 -2.373 3.455 701 2HB ASP 82 HB1 ASP 82 -14.175 -1.393 4.758 702 H ARG 83 HN ARG 83 -16.391 1.665 3.998 703 HA ARG 83 HA ARG 83 -14.408 3.585 4.437 704 1HB ARG 83 HB2 ARG 83 -17.222 3.281 5.436 705 2HB ARG 83 HB1 ARG 83 -16.208 4.609 5.989 706 1HG ARG 83 HG2 ARG 83 -16.868 4.024 3.107 707 2HG ARG 83 HG1 ARG 83 -17.663 5.239 4.109 708 1HD ARG 83 HD2 ARG 83 -15.632 6.484 4.331 709 2HD ARG 83 HD1 ARG 83 -14.698 5.198 3.569 710 HE ARG 83 HE ARG 83 -15.306 6.021 1.525 711 1HH1 ARG 83 HH11 ARG 83 -17.447 7.322 3.952 712 2HH1 ARG 83 HH12 ARG 83 -18.226 8.418 2.861 713 1HH2 ARG 83 HH21 ARG 83 -16.333 7.465 0.083 714 2HH2 ARG 83 HH22 ARG 83 -17.594 8.499 0.665 715 H SER 84 HN SER 84 -15.110 0.772 6.141 716 HA SER 84 HA SER 84 -14.494 1.537 8.782 717 1HB SER 84 HB2 SER 84 -14.152 -1.115 7.360 718 2HB SER 84 HB1 SER 84 -13.916 -0.893 9.094 719 HG SER 84 HG SER 84 -16.312 -0.077 7.866 720 H ALA 85 HN ALA 85 -12.515 0.545 6.041 721 HA ALA 85 HA ALA 85 -10.042 0.390 7.398 722 1HB ALA 85 HB1 ALA 85 -9.050 0.709 5.117 723 2HB ALA 85 HB2 ALA 85 -10.687 0.938 4.499 724 3HB ALA 85 HB3 ALA 85 -10.225 -0.597 5.230 725 H TYR 86 HN TYR 86 -11.697 2.995 5.704 726 HA TYR 86 HA TYR 86 -9.813 4.981 5.656 727 1HB TYR 86 HB2 TYR 86 -12.772 5.166 6.215 728 2HB TYR 86 HB1 TYR 86 -11.759 6.583 6.003 729 HD1 TYR 86 HD1 TYR 86 -12.116 3.328 4.218 730 HD2 TYR 86 HD2 TYR 86 -12.062 7.566 3.944 731 HE1 TYR 86 HE1 TYR 86 -12.443 3.162 1.787 732 HE2 TYR 86 HE2 TYR 86 -12.387 7.419 1.511 733 HH TYR 86 HH TYR 86 -13.309 4.551 -0.047 Start of MODEL 9 1 1H SER 1 HT1 SER 1 9.816 -12.392 -6.892 2 2H SER 1 HT2 SER 1 8.594 -12.792 -5.793 3 3H SER 1 HT3 SER 1 8.504 -11.346 -6.666 4 HA SER 1 HA SER 1 8.263 -12.548 -8.725 5 1HB SER 1 HB2 SER 1 8.287 -15.004 -6.950 6 2HB SER 1 HB1 SER 1 7.969 -14.993 -8.684 7 HG SER 1 HG SER 1 10.089 -14.194 -8.989 8 H ASN 2 HN ASN 2 6.857 -12.512 -5.622 9 HA ASN 2 HA ASN 2 4.173 -12.807 -6.805 10 1HB ASN 2 HB2 ASN 2 4.884 -14.585 -5.129 11 2HB ASN 2 HB1 ASN 2 4.858 -13.316 -3.908 12 1HD2 ASN 2 HD21 ASN 2 2.938 -15.208 -6.118 13 2HD2 ASN 2 HD22 ASN 2 1.412 -14.893 -5.371 14 H SER 3 HN SER 3 5.858 -10.409 -6.572 15 HA SER 3 HA SER 3 4.565 -8.816 -4.511 16 1HB SER 3 HB2 SER 3 6.482 -7.813 -6.617 17 2HB SER 3 HB1 SER 3 6.131 -7.108 -5.039 18 HG SER 3 HG SER 3 7.560 -9.482 -5.616 19 H SER 4 HN SER 4 2.762 -9.812 -6.377 20 HA SER 4 HA SER 4 2.220 -7.816 -8.377 21 1HB SER 4 HB2 SER 4 1.672 -10.159 -8.812 22 2HB SER 4 HB1 SER 4 0.565 -10.167 -7.440 23 HG SER 4 HG SER 4 0.319 -8.826 -9.908 24 H MET 5 HN MET 5 0.643 -6.279 -8.386 25 HA MET 5 HA MET 5 -0.329 -5.410 -5.802 26 1HB MET 5 HB2 MET 5 -0.212 -4.250 -8.549 27 2HB MET 5 HB1 MET 5 -1.379 -3.593 -7.410 28 1HG MET 5 HG2 MET 5 0.782 -2.378 -7.482 29 2HG MET 5 HG1 MET 5 0.336 -2.977 -5.884 30 1HE MET 5 HE1 MET 5 4.115 -3.367 -5.530 31 2HE MET 5 HE2 MET 5 2.635 -2.543 -5.034 32 3HE MET 5 HE3 MET 5 3.433 -2.092 -6.539 33 H ASN 6 HN ASN 6 -1.796 -7.171 -5.384 34 HA ASN 6 HA ASN 6 -3.980 -7.780 -7.099 35 1HB ASN 6 HB2 ASN 6 -3.572 -8.321 -4.149 36 2HB ASN 6 HB1 ASN 6 -4.870 -9.004 -5.123 37 1HD2 ASN 6 HD21 ASN 6 -4.384 -10.547 -6.694 38 2HD2 ASN 6 HD22 ASN 6 -2.889 -11.413 -6.687 39 HA PRO 7 HA PRO 7 -6.248 -3.993 -6.000 40 1HB PRO 7 HB2 PRO 7 -8.288 -5.223 -7.758 41 2HB PRO 7 HB1 PRO 7 -7.542 -3.625 -7.847 42 1HG PRO 7 HG2 PRO 7 -6.911 -5.535 -9.601 43 2HG PRO 7 HG1 PRO 7 -5.686 -4.407 -8.990 44 1HD PRO 7 HD2 PRO 7 -6.211 -7.247 -8.198 45 2HD PRO 7 HD1 PRO 7 -4.661 -6.417 -8.449 46 H LYS 8 HN LYS 8 -7.092 -7.299 -5.571 47 HA LYS 8 HA LYS 8 -9.587 -6.779 -4.234 48 1HB LYS 8 HB2 LYS 8 -7.875 -9.248 -4.497 49 2HB LYS 8 HB1 LYS 8 -9.344 -9.217 -3.533 50 1HG LYS 8 HG2 LYS 8 -10.227 -9.994 -5.461 51 2HG LYS 8 HG1 LYS 8 -10.341 -8.269 -5.810 52 1HD LYS 8 HD2 LYS 8 -7.772 -9.483 -6.529 53 2HD LYS 8 HD1 LYS 8 -9.152 -10.120 -7.424 54 1HE LYS 8 HE2 LYS 8 -9.795 -7.755 -7.938 55 2HE LYS 8 HE1 LYS 8 -8.268 -7.247 -7.218 56 1HZ LYS 8 HZ1 LYS 8 -7.099 -8.593 -8.861 57 2HZ LYS 8 HZ2 LYS 8 -8.074 -7.430 -9.609 58 3HZ LYS 8 HZ3 LYS 8 -8.571 -9.046 -9.562 59 H SER 9 HN SER 9 -6.339 -7.785 -3.220 60 HA SER 9 HA SER 9 -6.971 -7.586 -0.435 61 1HB SER 9 HB2 SER 9 -4.339 -7.923 -1.884 62 2HB SER 9 HB1 SER 9 -4.513 -7.972 -0.132 63 HG SER 9 HG SER 9 -5.373 -9.903 -0.262 64 H LEU 10 HN LEU 10 -5.241 -5.578 -2.761 65 HA LEU 10 HA LEU 10 -4.277 -3.684 -0.917 66 1HB LEU 10 HB2 LEU 10 -4.970 -3.266 -3.823 67 2HB LEU 10 HB1 LEU 10 -3.973 -2.213 -2.846 68 HG LEU 10 HG LEU 10 -3.299 -5.030 -3.689 69 1HD1 LEU 10 HD11 LEU 10 -2.125 -2.358 -4.434 70 2HD1 LEU 10 HD12 LEU 10 -3.059 -3.426 -5.481 71 3HD1 LEU 10 HD13 LEU 10 -1.469 -3.926 -4.904 72 1HD2 LEU 10 HD21 LEU 10 -2.404 -3.558 -1.435 73 2HD2 LEU 10 HD22 LEU 10 -1.081 -3.661 -2.595 74 3HD2 LEU 10 HD23 LEU 10 -1.859 -5.132 -2.012 75 H THR 11 HN THR 11 -7.440 -4.370 -1.787 76 HA THR 11 HA THR 11 -8.247 -1.673 -0.896 77 HB THR 11 HB THR 11 -10.059 -1.591 -2.428 78 HG1 THR 11 HG1 THR 11 -9.444 -4.320 -2.855 79 1HG2 THR 11 HG21 THR 11 -7.697 -1.166 -3.311 80 2HG2 THR 11 HG22 THR 11 -8.944 -1.473 -4.512 81 3HG2 THR 11 HG23 THR 11 -7.816 -2.751 -4.069 82 H ASP 12 HN ASP 12 -7.932 -4.372 0.419 83 HA ASP 12 HA ASP 12 -10.682 -4.672 1.416 84 1HB ASP 12 HB2 ASP 12 -9.536 -6.708 0.398 85 2HB ASP 12 HB1 ASP 12 -8.415 -6.647 1.756 86 HA PRO 13 HA PRO 13 -9.141 -2.228 4.839 87 1HB PRO 13 HB2 PRO 13 -11.380 -3.777 6.115 88 2HB PRO 13 HB1 PRO 13 -10.946 -2.071 6.312 89 1HG PRO 13 HG2 PRO 13 -12.930 -2.722 4.704 90 2HG PRO 13 HG1 PRO 13 -11.751 -1.486 4.201 91 1HD PRO 13 HD2 PRO 13 -12.035 -4.327 3.302 92 2HD PRO 13 HD1 PRO 13 -11.513 -2.900 2.388 93 H LYS 14 HN LYS 14 -9.453 -5.696 4.785 94 HA LYS 14 HA LYS 14 -8.409 -6.314 7.320 95 1HB LYS 14 HB2 LYS 14 -9.431 -7.947 5.705 96 2HB LYS 14 HB1 LYS 14 -7.949 -7.860 4.765 97 1HG LYS 14 HG2 LYS 14 -7.889 -8.621 7.658 98 2HG LYS 14 HG1 LYS 14 -8.261 -9.808 6.407 99 1HD LYS 14 HD2 LYS 14 -6.134 -9.841 5.620 100 2HD LYS 14 HD1 LYS 14 -5.879 -8.123 5.942 101 1HE LYS 14 HE2 LYS 14 -4.472 -9.554 7.356 102 2HE LYS 14 HE1 LYS 14 -5.594 -8.567 8.290 103 1HZ LYS 14 HZ1 LYS 14 -5.896 -11.449 7.642 104 2HZ LYS 14 HZ2 LYS 14 -7.063 -10.519 8.439 105 3HZ LYS 14 HZ3 LYS 14 -5.559 -10.788 9.163 106 H LEU 15 HN LEU 15 -6.747 -6.120 4.190 107 HA LEU 15 HA LEU 15 -4.134 -6.232 5.305 108 1HB LEU 15 HB2 LEU 15 -5.141 -5.391 2.595 109 2HB LEU 15 HB1 LEU 15 -3.451 -5.480 2.999 110 HG LEU 15 HG LEU 15 -4.097 -7.447 1.761 111 1HD1 LEU 15 HD11 LEU 15 -3.808 -9.048 3.980 112 2HD1 LEU 15 HD12 LEU 15 -3.108 -7.505 4.479 113 3HD1 LEU 15 HD13 LEU 15 -2.503 -8.324 3.037 114 1HD2 LEU 15 HD21 LEU 15 -5.760 -9.001 2.535 115 2HD2 LEU 15 HD22 LEU 15 -6.495 -7.402 2.397 116 3HD2 LEU 15 HD23 LEU 15 -6.048 -8.035 3.984 117 H LEU 16 HN LEU 16 -6.173 -3.658 4.041 118 HA LEU 16 HA LEU 16 -4.396 -1.551 4.141 119 1HB LEU 16 HB2 LEU 16 -7.294 -1.265 4.892 120 2HB LEU 16 HB1 LEU 16 -6.280 -0.141 4.015 121 HG LEU 16 HG LEU 16 -7.120 -2.816 2.928 122 1HD1 LEU 16 HD11 LEU 16 -8.922 -1.888 1.884 123 2HD1 LEU 16 HD12 LEU 16 -8.249 -0.265 1.918 124 3HD1 LEU 16 HD13 LEU 16 -8.924 -0.965 3.386 125 1HD2 LEU 16 HD21 LEU 16 -5.007 -1.528 2.118 126 2HD2 LEU 16 HD22 LEU 16 -6.182 -0.501 1.295 127 3HD2 LEU 16 HD23 LEU 16 -6.121 -2.228 0.950 128 H LYS 17 HN LYS 17 -6.625 -2.628 6.716 129 HA LYS 17 HA LYS 17 -5.669 -0.767 8.630 130 1HB LYS 17 HB2 LYS 17 -7.163 -3.373 8.954 131 2HB LYS 17 HB1 LYS 17 -6.810 -2.280 10.284 132 1HG LYS 17 HG2 LYS 17 -8.147 -0.556 9.285 133 2HG LYS 17 HG1 LYS 17 -8.396 -1.537 7.839 134 1HD LYS 17 HD2 LYS 17 -9.630 -3.174 9.113 135 2HD LYS 17 HD1 LYS 17 -9.292 -2.308 10.615 136 1HE LYS 17 HE2 LYS 17 -10.517 -0.362 9.708 137 2HE LYS 17 HE1 LYS 17 -10.931 -1.316 8.286 138 1HZ LYS 17 HZ1 LYS 17 -12.726 -1.305 9.905 139 2HZ LYS 17 HZ2 LYS 17 -11.703 -1.961 11.082 140 3HZ LYS 17 HZ3 LYS 17 -12.107 -2.869 9.713 141 H ASN 18 HN ASN 18 -4.571 -3.823 7.485 142 HA ASN 18 HA ASN 18 -2.511 -3.914 9.595 143 1HB ASN 18 HB2 ASN 18 -4.222 -5.916 9.065 144 2HB ASN 18 HB1 ASN 18 -3.027 -6.264 7.824 145 1HD2 ASN 18 HD21 ASN 18 -2.674 -8.243 8.962 146 2HD2 ASN 18 HD22 ASN 18 -1.637 -8.272 10.343 147 H ILE 19 HN ILE 19 -1.697 -2.135 8.046 148 HA ILE 19 HA ILE 19 -0.866 -2.358 5.511 149 HB ILE 19 HB ILE 19 0.648 -1.159 7.814 150 1HG1 ILE 19 HG12 ILE 19 -1.496 -0.100 7.158 151 2HG1 ILE 19 HG11 ILE 19 -0.120 0.947 6.867 152 1HG2 ILE 19 HG21 ILE 19 1.328 -0.653 4.931 153 2HG2 ILE 19 HG22 ILE 19 2.142 -1.897 5.874 154 3HG2 ILE 19 HG23 ILE 19 2.238 -0.211 6.373 155 1HD1 ILE 19 HD11 ILE 19 -1.502 1.195 5.000 156 2HD1 ILE 19 HD12 ILE 19 -1.768 -0.539 4.841 157 3HD1 ILE 19 HD13 ILE 19 -0.189 0.153 4.463 158 HA PRO 20 HA PRO 20 3.267 -4.791 6.915 159 1HB PRO 20 HB2 PRO 20 1.672 -6.412 8.879 160 2HB PRO 20 HB1 PRO 20 3.405 -6.042 8.883 161 1HG PRO 20 HG2 PRO 20 1.774 -4.720 10.488 162 2HG PRO 20 HG1 PRO 20 3.067 -3.861 9.636 163 1HD PRO 20 HD2 PRO 20 0.136 -3.874 9.114 164 2HD PRO 20 HD1 PRO 20 1.321 -2.578 8.867 165 H MET 21 HN MET 21 0.091 -6.263 7.393 166 HA MET 21 HA MET 21 0.532 -8.591 5.868 167 1HB MET 21 HB2 MET 21 -1.288 -7.927 7.637 168 2HB MET 21 HB1 MET 21 -2.174 -7.351 6.233 169 1HG MET 21 HG2 MET 21 -3.016 -9.428 6.312 170 2HG MET 21 HG1 MET 21 -1.579 -9.791 5.356 171 1HE MET 21 HE1 MET 21 0.807 -11.434 7.946 172 2HE MET 21 HE2 MET 21 0.789 -9.727 7.505 173 3HE MET 21 HE3 MET 21 0.555 -10.960 6.266 174 H TRP 22 HN TRP 22 -0.982 -5.476 5.149 175 HA TRP 22 HA TRP 22 -1.817 -5.843 2.560 176 1HB TRP 22 HB2 TRP 22 -2.184 -3.827 3.960 177 2HB TRP 22 HB1 TRP 22 -0.508 -3.369 3.730 178 HD1 TRP 22 HD1 TRP 22 -3.788 -3.723 1.738 179 HE1 TRP 22 HE1 TRP 22 -3.649 -2.166 -0.305 180 HE3 TRP 22 HE3 TRP 22 1.053 -2.149 2.257 181 HZ2 TRP 22 HZ2 TRP 22 -1.739 -0.505 -1.546 182 HZ3 TRP 22 HZ3 TRP 22 1.958 -0.578 0.581 183 HH2 TRP 22 HH2 TRP 22 0.590 0.229 -1.269 184 H LEU 23 HN LEU 23 1.392 -5.196 3.806 185 HA LEU 23 HA LEU 23 2.642 -4.905 1.253 186 1HB LEU 23 HB2 LEU 23 3.668 -5.275 4.059 187 2HB LEU 23 HB1 LEU 23 4.733 -5.170 2.678 188 HG LEU 23 HG LEU 23 2.791 -3.017 3.494 189 1HD1 LEU 23 HD11 LEU 23 5.153 -1.900 3.919 190 2HD1 LEU 23 HD12 LEU 23 5.608 -3.576 4.241 191 3HD1 LEU 23 HD13 LEU 23 4.312 -2.817 5.167 192 1HD2 LEU 23 HD21 LEU 23 3.862 -1.652 1.865 193 2HD2 LEU 23 HD22 LEU 23 3.410 -3.160 1.071 194 3HD2 LEU 23 HD23 LEU 23 5.083 -2.883 1.548 195 H LYS 24 HN LYS 24 1.886 -7.581 3.364 196 HA LYS 24 HA LYS 24 3.775 -9.417 2.482 197 1HB LYS 24 HB2 LYS 24 2.680 -9.917 4.479 198 2HB LYS 24 HB1 LYS 24 1.095 -9.615 3.788 199 1HG LYS 24 HG2 LYS 24 1.076 -11.847 3.822 200 2HG LYS 24 HG1 LYS 24 1.759 -11.566 2.236 201 1HD LYS 24 HD2 LYS 24 3.536 -11.881 4.616 202 2HD LYS 24 HD1 LYS 24 2.868 -13.300 3.813 203 1HE LYS 24 HE2 LYS 24 4.439 -11.142 2.422 204 2HE LYS 24 HE1 LYS 24 5.138 -12.649 3.016 205 1HZ LYS 24 HZ1 LYS 24 2.966 -12.451 0.998 206 2HZ LYS 24 HZ2 LYS 24 3.699 -13.877 1.536 207 3HZ LYS 24 HZ3 LYS 24 4.596 -12.748 0.651 208 H SER 25 HN SER 25 0.574 -8.502 1.329 209 HA SER 25 HA SER 25 0.476 -10.508 -0.707 210 1HB SER 25 HB2 SER 25 -1.118 -7.945 -0.372 211 2HB SER 25 HB1 SER 25 -1.465 -9.199 -1.564 212 HG SER 25 HG SER 25 -2.666 -9.933 0.015 213 H LEU 26 HN LEU 26 2.301 -7.794 -0.305 214 HA LEU 26 HA LEU 26 2.678 -7.410 -3.203 215 1HB LEU 26 HB2 LEU 26 3.312 -5.450 -0.998 216 2HB LEU 26 HB1 LEU 26 3.431 -5.161 -2.725 217 HG LEU 26 HG LEU 26 0.853 -5.729 -1.268 218 1HD1 LEU 26 HD11 LEU 26 0.375 -3.350 -1.540 219 2HD1 LEU 26 HD12 LEU 26 1.982 -3.097 -2.219 220 3HD1 LEU 26 HD13 LEU 26 1.804 -3.605 -0.540 221 1HD2 LEU 26 HD21 LEU 26 0.286 -4.430 -3.619 222 2HD2 LEU 26 HD22 LEU 26 0.140 -6.165 -3.336 223 3HD2 LEU 26 HD23 LEU 26 1.604 -5.511 -4.075 224 H ARG 27 HN ARG 27 3.945 -8.918 -0.638 225 HA ARG 27 HA ARG 27 5.943 -9.882 -0.178 226 1HB ARG 27 HB2 ARG 27 6.331 -9.012 -2.997 227 2HB ARG 27 HB1 ARG 27 7.752 -9.505 -2.088 228 1HG ARG 27 HG2 ARG 27 5.296 -11.219 -2.269 229 2HG ARG 27 HG1 ARG 27 6.588 -11.281 -3.471 230 1HD ARG 27 HD2 ARG 27 6.911 -11.750 -0.509 231 2HD ARG 27 HD1 ARG 27 6.861 -13.006 -1.747 232 HE ARG 27 HE ARG 27 8.918 -10.955 -1.995 233 1HH1 ARG 27 HH11 ARG 27 8.061 -14.213 -1.101 234 2HH1 ARG 27 HH12 ARG 27 9.692 -14.792 -1.152 235 1HH2 ARG 27 HH21 ARG 27 11.065 -11.708 -2.064 236 2HH2 ARG 27 HH22 ARG 27 11.400 -13.368 -1.699 237 H LEU 28 HN LEU 28 5.406 -6.741 -0.047 238 HA LEU 28 HA LEU 28 8.186 -5.955 0.506 239 1HB LEU 28 HB2 LEU 28 5.653 -4.327 0.246 240 2HB LEU 28 HB1 LEU 28 7.189 -3.648 0.748 241 HG LEU 28 HG LEU 28 7.501 -5.116 -1.719 242 1HD1 LEU 28 HD11 LEU 28 6.184 -3.509 -3.114 243 2HD1 LEU 28 HD12 LEU 28 5.357 -3.008 -1.638 244 3HD1 LEU 28 HD13 LEU 28 5.219 -4.672 -2.205 245 1HD2 LEU 28 HD21 LEU 28 8.112 -2.663 -2.401 246 2HD2 LEU 28 HD22 LEU 28 9.145 -3.573 -1.300 247 3HD2 LEU 28 HD23 LEU 28 8.015 -2.379 -0.663 248 H HIS 29 HN HIS 29 6.331 -7.692 2.237 249 HA HIS 29 HA HIS 29 5.763 -6.245 4.590 250 1HB HIS 29 HB2 HIS 29 5.937 -8.457 5.751 251 2HB HIS 29 HB1 HIS 29 4.876 -8.492 4.343 252 HD1 HIS 29 HD1 HIS 29 6.449 -9.209 2.045 253 HD2 HIS 29 HD2 HIS 29 7.469 -10.670 5.799 254 HE1 HIS 29 HE1 HIS 29 7.853 -11.251 1.613 255 HE2 HIS 29 HE2 HIS 29 8.425 -12.143 3.900 256 H LYS 30 HN LYS 30 8.539 -7.012 2.998 257 HA LYS 30 HA LYS 30 10.502 -7.316 4.956 258 1HB LYS 30 HB2 LYS 30 11.849 -6.039 3.021 259 2HB LYS 30 HB1 LYS 30 11.350 -7.709 2.855 260 1HG LYS 30 HG2 LYS 30 9.621 -7.175 1.414 261 2HG LYS 30 HG1 LYS 30 9.626 -5.475 1.892 262 1HD LYS 30 HD2 LYS 30 11.579 -5.034 0.689 263 2HD LYS 30 HD1 LYS 30 11.990 -6.744 0.545 264 1HE LYS 30 HE2 LYS 30 9.902 -6.999 -0.827 265 2HE LYS 30 HE1 LYS 30 9.783 -5.242 -0.844 266 1HZ LYS 30 HZ1 LYS 30 12.074 -6.822 -1.883 267 2HZ LYS 30 HZ2 LYS 30 11.942 -5.136 -1.914 268 3HZ LYS 30 HZ3 LYS 30 10.882 -6.083 -2.828 269 H TYR 31 HN TYR 31 8.901 -4.568 3.572 270 HA TYR 31 HA TYR 31 10.331 -2.708 5.327 271 1HB TYR 31 HB2 TYR 31 8.605 -2.242 2.892 272 2HB TYR 31 HB1 TYR 31 9.347 -0.967 3.853 273 HD1 TYR 31 HD1 TYR 31 9.659 -2.594 0.901 274 HD2 TYR 31 HD2 TYR 31 12.023 -1.633 4.302 275 HE1 TYR 31 HE1 TYR 31 11.702 -2.814 -0.458 276 HE2 TYR 31 HE2 TYR 31 14.068 -1.837 2.953 277 HH TYR 31 HH TYR 31 14.810 -2.952 0.893 278 H SER 32 HN SER 32 8.092 -4.616 5.993 279 HA SER 32 HA SER 32 5.703 -3.231 6.399 280 1HB SER 32 HB2 SER 32 5.547 -5.553 6.697 281 2HB SER 32 HB1 SER 32 6.962 -5.604 7.749 282 HG SER 32 HG SER 32 5.692 -5.305 9.381 283 H ASP 33 HN ASP 33 8.508 -3.660 8.501 284 HA ASP 33 HA ASP 33 7.523 -2.277 10.718 285 1HB ASP 33 HB2 ASP 33 9.673 -3.681 10.472 286 2HB ASP 33 HB1 ASP 33 10.418 -2.191 9.905 287 H ALA 34 HN ALA 34 9.206 -1.118 7.849 288 HA ALA 34 HA ALA 34 9.375 1.594 8.778 289 1HB ALA 34 HB1 ALA 34 10.426 2.089 6.727 290 2HB ALA 34 HB2 ALA 34 9.760 0.653 5.952 291 3HB ALA 34 HB3 ALA 34 10.995 0.490 7.203 292 H LEU 35 HN LEU 35 7.003 -0.245 7.080 293 HA LEU 35 HA LEU 35 5.651 2.231 6.250 294 1HB LEU 35 HB2 LEU 35 5.709 -0.541 5.179 295 2HB LEU 35 HB1 LEU 35 4.247 0.394 4.954 296 HG LEU 35 HG LEU 35 5.141 1.632 3.316 297 1HD1 LEU 35 HD11 LEU 35 7.414 2.554 3.280 298 2HD1 LEU 35 HD12 LEU 35 7.786 1.695 4.772 299 3HD1 LEU 35 HD13 LEU 35 6.553 2.952 4.764 300 1HD2 LEU 35 HD21 LEU 35 5.684 -0.421 2.376 301 2HD2 LEU 35 HD22 LEU 35 7.018 -0.710 3.497 302 3HD2 LEU 35 HD23 LEU 35 7.178 0.503 2.219 303 H SER 36 HN SER 36 5.517 -0.129 8.632 304 HA SER 36 HA SER 36 2.714 -0.491 8.854 305 1HB SER 36 HB2 SER 36 4.340 -2.026 9.919 306 2HB SER 36 HB1 SER 36 4.824 -0.735 11.018 307 HG SER 36 HG SER 36 3.254 -1.418 12.223 308 H GLY 37 HN GLY 37 5.002 1.751 10.359 309 1HA GLY 37 HA2 GLY 37 3.251 2.975 12.165 310 2HA GLY 37 HA1 GLY 37 4.675 3.734 11.468 311 H THR 38 HN THR 38 3.100 2.969 8.810 312 HA THR 38 HA THR 38 1.471 5.415 8.821 313 HB THR 38 HB THR 38 2.926 4.255 6.432 314 HG1 THR 38 HG1 THR 38 3.608 6.575 7.944 315 1HG2 THR 38 HG21 THR 38 0.780 5.794 6.302 316 2HG2 THR 38 HG22 THR 38 2.148 6.040 5.214 317 3HG2 THR 38 HG23 THR 38 1.955 7.067 6.635 318 HA PRO 39 HA PRO 39 -1.905 2.589 7.906 319 1HB PRO 39 HB2 PRO 39 -3.757 4.457 7.277 320 2HB PRO 39 HB1 PRO 39 -3.260 4.146 8.943 321 1HG PRO 39 HG2 PRO 39 -2.259 6.240 7.051 322 2HG PRO 39 HG1 PRO 39 -2.829 6.451 8.717 323 1HD PRO 39 HD2 PRO 39 -0.227 6.319 8.209 324 2HD PRO 39 HD1 PRO 39 -0.902 5.462 9.615 325 H TRP 40 HN TRP 40 -3.645 2.511 6.035 326 HA TRP 40 HA TRP 40 -2.166 2.418 3.598 327 1HB TRP 40 HB2 TRP 40 -4.140 1.552 2.556 328 2HB TRP 40 HB1 TRP 40 -4.003 0.812 4.141 329 HD1 TRP 40 HD1 TRP 40 -5.790 1.662 6.030 330 HE1 TRP 40 HE1 TRP 40 -8.176 2.588 5.750 331 HE3 TRP 40 HE3 TRP 40 -5.609 2.957 1.076 332 HZ2 TRP 40 HZ2 TRP 40 -9.757 3.729 3.727 333 HZ3 TRP 40 HZ3 TRP 40 -7.605 3.975 0.055 334 HH2 TRP 40 HH2 TRP 40 -9.635 4.346 1.356 335 H ILE 41 HN ILE 41 -4.858 4.425 4.768 336 HA ILE 41 HA ILE 41 -5.309 5.960 2.537 337 HB ILE 41 HB ILE 41 -6.489 6.045 4.823 338 1HG1 ILE 41 HG12 ILE 41 -6.550 8.796 4.236 339 2HG1 ILE 41 HG11 ILE 41 -6.197 7.990 2.705 340 1HG2 ILE 41 HG21 ILE 41 -4.623 8.341 5.332 341 2HG2 ILE 41 HG22 ILE 41 -4.317 6.731 5.981 342 3HG2 ILE 41 HG23 ILE 41 -5.786 7.599 6.432 343 1HD1 ILE 41 HD11 ILE 41 -8.495 7.288 4.518 344 2HD1 ILE 41 HD12 ILE 41 -8.175 6.645 2.905 345 3HD1 ILE 41 HD13 ILE 41 -8.604 8.346 3.111 346 H GLU 42 HN GLU 42 -2.586 6.035 4.705 347 HA GLU 42 HA GLU 42 -1.597 8.501 3.464 348 1HB GLU 42 HB2 GLU 42 -0.692 6.925 5.870 349 2HB GLU 42 HB1 GLU 42 0.262 8.233 5.184 350 1HG GLU 42 HG2 GLU 42 -1.686 9.744 5.533 351 2HG GLU 42 HG1 GLU 42 -2.494 8.422 6.374 352 H LEU 43 HN LEU 43 -0.918 5.093 3.840 353 HA LEU 43 HA LEU 43 1.582 4.899 2.634 354 1HB LEU 43 HB2 LEU 43 -0.526 3.163 3.410 355 2HB LEU 43 HB1 LEU 43 -0.042 2.712 1.792 356 HG LEU 43 HG LEU 43 1.120 1.390 3.508 357 1HD1 LEU 43 HD11 LEU 43 3.427 1.799 2.717 358 2HD1 LEU 43 HD12 LEU 43 2.855 3.278 1.947 359 3HD1 LEU 43 HD13 LEU 43 2.241 1.713 1.416 360 1HD2 LEU 43 HD21 LEU 43 2.204 2.248 5.271 361 2HD2 LEU 43 HD22 LEU 43 1.208 3.670 4.965 362 3HD2 LEU 43 HD23 LEU 43 2.854 3.598 4.342 363 H ILE 44 HN ILE 44 -1.593 4.379 1.220 364 HA ILE 44 HA ILE 44 -0.909 4.250 -1.452 365 HB ILE 44 HB ILE 44 -3.235 4.654 -1.930 366 1HG1 ILE 44 HG12 ILE 44 -3.692 5.419 0.950 367 2HG1 ILE 44 HG11 ILE 44 -3.329 6.632 -0.260 368 1HG2 ILE 44 HG21 ILE 44 -4.245 3.126 -0.111 369 2HG2 ILE 44 HG22 ILE 44 -2.603 3.057 0.527 370 3HG2 ILE 44 HG23 ILE 44 -2.938 2.498 -1.112 371 1HD1 ILE 44 HD11 ILE 44 -5.790 6.034 0.392 372 2HD1 ILE 44 HD12 ILE 44 -5.552 4.735 -0.777 373 3HD1 ILE 44 HD13 ILE 44 -5.359 6.414 -1.272 374 H TYR 45 HN TYR 45 -0.775 6.931 0.616 375 HA TYR 45 HA TYR 45 -0.983 8.825 -1.622 376 1HB TYR 45 HB2 TYR 45 -1.340 9.079 1.328 377 2HB TYR 45 HB1 TYR 45 -0.808 10.491 0.427 378 HD1 TYR 45 HD1 TYR 45 -3.035 8.131 -1.266 379 HD2 TYR 45 HD2 TYR 45 -2.864 11.641 1.145 380 HE1 TYR 45 HE1 TYR 45 -5.382 8.628 -1.827 381 HE2 TYR 45 HE2 TYR 45 -5.201 12.147 0.579 382 HH TYR 45 HH TYR 45 -6.821 11.632 -1.197 383 H LEU 46 HN LEU 46 1.334 7.200 0.226 384 HA LEU 46 HA LEU 46 3.372 9.125 0.460 385 1HB LEU 46 HB2 LEU 46 3.770 6.187 -0.067 386 2HB LEU 46 HB1 LEU 46 4.909 7.277 0.675 387 HG LEU 46 HG LEU 46 2.348 6.275 1.880 388 1HD1 LEU 46 HD11 LEU 46 3.829 5.162 3.426 389 2HD1 LEU 46 HD12 LEU 46 5.242 5.908 2.654 390 3HD1 LEU 46 HD13 LEU 46 4.264 4.716 1.772 391 1HD2 LEU 46 HD21 LEU 46 3.756 8.695 2.412 392 2HD2 LEU 46 HD22 LEU 46 4.004 7.590 3.766 393 3HD2 LEU 46 HD23 LEU 46 2.368 8.018 3.264 394 H ASP 47 HN ASP 47 5.568 8.089 -0.764 395 HA ASP 47 HA ASP 47 5.123 7.827 -3.609 396 1HB ASP 47 HB2 ASP 47 6.591 10.228 -2.494 397 2HB ASP 47 HB1 ASP 47 6.569 9.762 -4.190 398 H ASP 48 HN ASP 48 7.349 7.688 -4.737 399 HA ASP 48 HA ASP 48 8.815 5.612 -3.715 400 1HB ASP 48 HB2 ASP 48 10.646 6.630 -5.254 401 2HB ASP 48 HB1 ASP 48 9.162 6.042 -5.977 402 H GLU 49 HN GLU 49 9.287 9.061 -3.383 403 HA GLU 49 HA GLU 49 11.738 9.047 -2.022 404 1HB GLU 49 HB2 GLU 49 10.867 11.093 -2.971 405 2HB GLU 49 HB1 GLU 49 9.474 11.037 -1.902 406 1HG GLU 49 HG2 GLU 49 10.974 11.326 0.039 407 2HG GLU 49 HG1 GLU 49 12.341 11.440 -1.072 408 H THR 50 HN THR 50 8.452 9.429 -0.632 409 HA THR 50 HA THR 50 9.164 9.488 2.029 410 HB THR 50 HB THR 50 6.687 8.197 0.877 411 HG1 THR 50 HG1 THR 50 5.964 10.181 0.623 412 1HG2 THR 50 HG21 THR 50 7.039 7.578 3.199 413 2HG2 THR 50 HG22 THR 50 5.708 8.733 3.079 414 3HG2 THR 50 HG23 THR 50 7.292 9.272 3.632 415 H LEU 51 HN LEU 51 8.386 6.663 0.040 416 HA LEU 51 HA LEU 51 8.561 4.660 1.925 417 1HB LEU 51 HB2 LEU 51 9.312 4.759 -0.986 418 2HB LEU 51 HB1 LEU 51 9.397 3.270 -0.064 419 HG LEU 51 HG LEU 51 6.881 4.911 -0.316 420 1HD1 LEU 51 HD11 LEU 51 6.133 3.420 -2.022 421 2HD1 LEU 51 HD12 LEU 51 7.595 2.444 -1.883 422 3HD1 LEU 51 HD13 LEU 51 7.688 4.086 -2.520 423 1HD2 LEU 51 HD21 LEU 51 7.463 2.125 0.668 424 2HD2 LEU 51 HD22 LEU 51 5.842 2.742 0.358 425 3HD2 LEU 51 HD23 LEU 51 6.845 3.490 1.600 426 H GLU 52 HN GLU 52 11.172 6.244 0.130 427 HA GLU 52 HA GLU 52 13.320 4.709 1.111 428 1HB GLU 52 HB2 GLU 52 13.487 6.355 -0.749 429 2HB GLU 52 HB1 GLU 52 13.265 7.658 0.412 430 1HG GLU 52 HG2 GLU 52 15.335 6.842 1.575 431 2HG GLU 52 HG1 GLU 52 15.598 5.776 0.195 432 H LYS 53 HN LYS 53 11.825 7.670 2.136 433 HA LYS 53 HA LYS 53 13.379 8.321 4.341 434 1HB LYS 53 HB2 LYS 53 10.402 8.763 4.193 435 2HB LYS 53 HB1 LYS 53 11.600 9.744 5.031 436 1HG LYS 53 HG2 LYS 53 11.732 9.366 2.072 437 2HG LYS 53 HG1 LYS 53 10.665 10.578 2.782 438 1HD LYS 53 HD2 LYS 53 13.597 10.412 3.436 439 2HD LYS 53 HD1 LYS 53 12.981 11.354 2.074 440 1HE LYS 53 HE2 LYS 53 11.646 11.759 4.660 441 2HE LYS 53 HE1 LYS 53 13.303 12.355 4.548 442 1HZ LYS 53 HZ1 LYS 53 12.657 13.634 2.596 443 2HZ LYS 53 HZ2 LYS 53 11.705 14.057 3.928 444 3HZ LYS 53 HZ3 LYS 53 11.069 13.062 2.718 445 H LYS 54 HN LYS 54 10.818 5.948 4.036 446 HA LYS 54 HA LYS 54 10.568 5.453 6.847 447 1HB LYS 54 HB2 LYS 54 9.779 3.422 4.799 448 2HB LYS 54 HB1 LYS 54 8.958 3.898 6.280 449 1HG LYS 54 HG2 LYS 54 9.120 5.552 3.781 450 2HG LYS 54 HG1 LYS 54 7.723 4.601 4.286 451 1HD LYS 54 HD2 LYS 54 8.641 6.314 6.415 452 2HD LYS 54 HD1 LYS 54 8.287 7.243 4.961 453 1HE LYS 54 HE2 LYS 54 6.456 5.233 6.234 454 2HE LYS 54 HE1 LYS 54 6.319 6.978 6.415 455 1HZ LYS 54 HZ1 LYS 54 4.944 5.697 4.660 456 2HZ LYS 54 HZ2 LYS 54 6.350 5.863 3.734 457 3HZ LYS 54 HZ3 LYS 54 5.561 7.234 4.330 458 H GLY 55 HN GLY 55 11.854 3.651 4.105 459 1HA GLY 55 HA2 GLY 55 14.255 2.831 5.118 460 2HA GLY 55 HA1 GLY 55 13.104 1.621 5.678 461 H VAL 56 HN VAL 56 11.547 2.373 3.128 462 HA VAL 56 HA VAL 56 12.480 0.233 1.506 463 HB VAL 56 HB VAL 56 10.633 2.413 0.564 464 1HG1 VAL 56 HG11 VAL 56 10.023 -0.402 0.031 465 2HG1 VAL 56 HG12 VAL 56 11.519 0.180 -0.691 466 3HG1 VAL 56 HG13 VAL 56 9.996 0.991 -1.046 467 1HG2 VAL 56 HG21 VAL 56 8.897 0.609 1.559 468 2HG2 VAL 56 HG22 VAL 56 9.423 2.044 2.438 469 3HG2 VAL 56 HG23 VAL 56 10.192 0.486 2.748 470 H LEU 57 HN LEU 57 14.614 0.693 0.971 471 HA LEU 57 HA LEU 57 15.246 3.169 -0.417 472 1HB LEU 57 HB2 LEU 57 16.813 0.912 0.748 473 2HB LEU 57 HB1 LEU 57 17.573 1.959 -0.434 474 HG LEU 57 HG LEU 57 17.793 3.678 1.030 475 1HD1 LEU 57 HD11 LEU 57 16.181 4.119 2.905 476 2HD1 LEU 57 HD12 LEU 57 15.186 2.813 2.259 477 3HD1 LEU 57 HD13 LEU 57 15.500 4.245 1.283 478 1HD2 LEU 57 HD21 LEU 57 18.674 1.548 2.108 479 2HD2 LEU 57 HD22 LEU 57 17.249 1.623 3.149 480 3HD2 LEU 57 HD23 LEU 57 18.424 2.938 3.163 481 H ALA 58 HN ALA 58 14.735 -0.197 -1.147 482 HA ALA 58 HA ALA 58 16.073 -0.419 -3.589 483 1HB ALA 58 HB1 ALA 58 15.028 -2.416 -3.809 484 2HB ALA 58 HB2 ALA 58 13.463 -1.763 -3.323 485 3HB ALA 58 HB3 ALA 58 14.682 -2.133 -2.100 486 H LEU 59 HN LEU 59 15.885 0.953 -5.233 487 HA LEU 59 HA LEU 59 13.719 2.576 -5.842 488 1HB LEU 59 HB2 LEU 59 15.943 1.423 -7.496 489 2HB LEU 59 HB1 LEU 59 14.664 2.334 -8.274 490 HG LEU 59 HG LEU 59 16.732 3.645 -7.748 491 1HD1 LEU 59 HD11 LEU 59 15.517 5.592 -6.881 492 2HD1 LEU 59 HD12 LEU 59 14.169 4.540 -6.443 493 3HD1 LEU 59 HD13 LEU 59 14.608 4.755 -8.139 494 1HD2 LEU 59 HD21 LEU 59 17.345 4.183 -5.575 495 2HD2 LEU 59 HD22 LEU 59 16.976 2.463 -5.499 496 3HD2 LEU 59 HD23 LEU 59 15.808 3.632 -4.908 497 H GLY 60 HN GLY 60 14.318 -0.767 -6.417 498 1HA GLY 60 HA2 GLY 60 12.248 -1.158 -8.335 499 2HA GLY 60 HA1 GLY 60 13.104 -2.415 -7.460 500 H ALA 61 HN ALA 61 12.515 -1.593 -4.841 501 HA ALA 61 HA ALA 61 9.908 -2.726 -4.551 502 1HB ALA 61 HB1 ALA 61 10.478 -3.108 -2.419 503 2HB ALA 61 HB2 ALA 61 11.161 -1.500 -2.193 504 3HB ALA 61 HB3 ALA 61 12.100 -2.753 -3.008 505 H ARG 62 HN ARG 62 11.235 0.471 -3.581 506 HA ARG 62 HA ARG 62 8.772 1.435 -2.665 507 1HB ARG 62 HB2 ARG 62 9.812 3.659 -2.682 508 2HB ARG 62 HB1 ARG 62 10.811 2.450 -1.921 509 1HG ARG 62 HG2 ARG 62 12.029 2.306 -4.165 510 2HG ARG 62 HG1 ARG 62 11.217 3.828 -4.536 511 1HD ARG 62 HD2 ARG 62 12.150 4.785 -2.435 512 2HD ARG 62 HD1 ARG 62 13.036 3.281 -2.194 513 HE ARG 62 HE ARG 62 13.660 4.339 -4.738 514 1HH1 ARG 62 HH11 ARG 62 14.284 4.764 -1.347 515 2HH1 ARG 62 HH12 ARG 62 15.725 5.691 -1.593 516 1HH2 ARG 62 HH21 ARG 62 15.551 5.598 -5.071 517 2HH2 ARG 62 HH22 ARG 62 16.441 6.168 -3.701 518 H ARG 63 HN ARG 63 10.467 2.443 -5.622 519 HA ARG 63 HA ARG 63 8.458 3.958 -6.714 520 1HB ARG 63 HB2 ARG 63 10.403 2.159 -8.160 521 2HB ARG 63 HB1 ARG 63 9.412 3.376 -8.946 522 1HG ARG 63 HG2 ARG 63 10.515 5.128 -7.685 523 2HG ARG 63 HG1 ARG 63 11.474 3.925 -6.822 524 1HD ARG 63 HD2 ARG 63 12.748 4.963 -8.636 525 2HD ARG 63 HD1 ARG 63 12.521 3.236 -8.904 526 HE ARG 63 HE ARG 63 10.513 4.824 -10.182 527 1HH1 ARG 63 HH11 ARG 63 13.764 3.605 -10.475 528 2HH1 ARG 63 HH12 ARG 63 13.771 3.672 -12.205 529 1HH2 ARG 63 HH21 ARG 63 10.513 4.916 -12.460 530 2HH2 ARG 63 HH22 ARG 63 11.924 4.418 -13.334 531 H LYS 64 HN LYS 64 8.638 0.536 -6.312 532 HA LYS 64 HA LYS 64 6.585 -0.118 -8.229 533 1HB LYS 64 HB2 LYS 64 8.309 -1.746 -7.645 534 2HB LYS 64 HB1 LYS 64 7.774 -1.732 -5.966 535 1HG LYS 64 HG2 LYS 64 6.902 -3.693 -6.969 536 2HG LYS 64 HG1 LYS 64 5.553 -2.572 -6.778 537 1HD LYS 64 HD2 LYS 64 5.759 -1.922 -9.128 538 2HD LYS 64 HD1 LYS 64 7.115 -3.033 -9.319 539 1HE LYS 64 HE2 LYS 64 5.625 -4.906 -8.718 540 2HE LYS 64 HE1 LYS 64 4.277 -3.774 -8.617 541 1HZ LYS 64 HZ1 LYS 64 5.882 -4.329 -11.054 542 2HZ LYS 64 HZ2 LYS 64 4.581 -3.253 -10.955 543 3HZ LYS 64 HZ3 LYS 64 4.324 -4.912 -10.746 544 H LEU 65 HN LEU 65 6.760 0.330 -4.722 545 HA LEU 65 HA LEU 65 4.199 -0.492 -4.043 546 1HB LEU 65 HB2 LEU 65 6.218 1.304 -2.875 547 2HB LEU 65 HB1 LEU 65 4.571 1.561 -2.327 548 HG LEU 65 HG LEU 65 5.439 -1.244 -2.328 549 1HD1 LEU 65 HD11 LEU 65 6.690 0.766 -0.472 550 2HD1 LEU 65 HD12 LEU 65 7.515 -0.242 -1.658 551 3HD1 LEU 65 HD13 LEU 65 6.741 -0.983 -0.258 552 1HD2 LEU 65 HD21 LEU 65 4.270 -1.253 -0.216 553 2HD2 LEU 65 HD22 LEU 65 3.286 -0.437 -1.430 554 3HD2 LEU 65 HD23 LEU 65 4.168 0.506 -0.228 555 H LEU 66 HN LEU 66 5.284 2.305 -5.716 556 HA LEU 66 HA LEU 66 3.089 4.016 -5.290 557 1HB LEU 66 HB2 LEU 66 5.206 3.801 -7.389 558 2HB LEU 66 HB1 LEU 66 3.859 4.897 -7.637 559 HG LEU 66 HG LEU 66 5.251 5.111 -5.033 560 1HD1 LEU 66 HD11 LEU 66 6.598 5.511 -7.637 561 2HD1 LEU 66 HD12 LEU 66 7.268 5.069 -6.063 562 3HD1 LEU 66 HD13 LEU 66 6.836 6.747 -6.401 563 1HD2 LEU 66 HD21 LEU 66 4.866 7.488 -5.431 564 2HD2 LEU 66 HD22 LEU 66 3.379 6.559 -5.626 565 3HD2 LEU 66 HD23 LEU 66 4.259 7.124 -7.047 566 H LYS 67 HN LYS 67 3.418 1.136 -7.073 567 HA LYS 67 HA LYS 67 1.315 1.617 -8.962 568 1HB LYS 67 HB2 LYS 67 2.877 -0.795 -8.133 569 2HB LYS 67 HB1 LYS 67 1.427 -0.964 -9.111 570 1HG LYS 67 HG2 LYS 67 2.751 1.059 -10.381 571 2HG LYS 67 HG1 LYS 67 4.062 0.018 -9.843 572 1HD LYS 67 HD2 LYS 67 3.189 -0.484 -12.111 573 2HD LYS 67 HD1 LYS 67 3.147 -1.858 -11.010 574 1HE LYS 67 HE2 LYS 67 0.759 -1.394 -10.605 575 2HE LYS 67 HE1 LYS 67 0.833 -0.072 -11.768 576 1HZ LYS 67 HZ1 LYS 67 1.408 -1.664 -13.488 577 2HZ LYS 67 HZ2 LYS 67 -0.059 -2.087 -12.759 578 3HZ LYS 67 HZ3 LYS 67 1.353 -2.934 -12.371 579 H ALA 68 HN ALA 68 1.701 0.089 -5.835 580 HA ALA 68 HA ALA 68 -0.966 -0.936 -5.675 581 1HB ALA 68 HB1 ALA 68 -0.378 -1.214 -3.231 582 2HB ALA 68 HB2 ALA 68 1.206 -0.539 -3.621 583 3HB ALA 68 HB3 ALA 68 0.676 -2.043 -4.375 584 H PHE 69 HN PHE 69 0.688 1.960 -4.568 585 HA PHE 69 HA PHE 69 -1.208 3.046 -2.881 586 1HB PHE 69 HB2 PHE 69 0.698 4.419 -4.781 587 2HB PHE 69 HB1 PHE 69 -0.204 5.243 -3.523 588 HD1 PHE 69 HD1 PHE 69 0.371 2.379 -1.878 589 HD2 PHE 69 HD2 PHE 69 2.605 5.598 -3.545 590 HE1 PHE 69 HE1 PHE 69 2.184 1.951 -0.281 591 HE2 PHE 69 HE2 PHE 69 4.422 5.166 -1.946 592 HZ PHE 69 HZ PHE 69 4.209 3.341 -0.303 593 H GLY 70 HN GLY 70 -1.005 3.238 -6.415 594 1HA GLY 70 HA2 GLY 70 -3.150 5.112 -6.650 595 2HA GLY 70 HA1 GLY 70 -2.419 4.207 -7.962 596 H ILE 71 HN ILE 71 -2.958 1.625 -7.353 597 HA ILE 71 HA ILE 71 -5.574 1.282 -8.209 598 HB ILE 71 HB ILE 71 -3.960 -0.701 -6.601 599 1HG1 ILE 71 HG12 ILE 71 -4.113 -0.699 -9.588 600 2HG1 ILE 71 HG11 ILE 71 -3.010 0.422 -8.798 601 1HG2 ILE 71 HG21 ILE 71 -6.107 -1.216 -8.650 602 2HG2 ILE 71 HG22 ILE 71 -6.404 -1.171 -6.914 603 3HG2 ILE 71 HG23 ILE 71 -5.324 -2.389 -7.592 604 1HD1 ILE 71 HD11 ILE 71 -3.017 -2.553 -8.368 605 2HD1 ILE 71 HD12 ILE 71 -1.846 -1.386 -7.746 606 3HD1 ILE 71 HD13 ILE 71 -1.952 -1.694 -9.481 607 H VAL 72 HN VAL 72 -4.284 1.512 -4.954 608 HA VAL 72 HA VAL 72 -6.677 0.669 -3.626 609 HB VAL 72 HB VAL 72 -4.439 2.383 -2.536 610 1HG1 VAL 72 HG11 VAL 72 -5.200 1.611 -0.348 611 2HG1 VAL 72 HG12 VAL 72 -6.514 0.724 -1.105 612 3HG1 VAL 72 HG13 VAL 72 -6.474 2.481 -1.197 613 1HG2 VAL 72 HG21 VAL 72 -3.954 -0.006 -3.503 614 2HG2 VAL 72 HG22 VAL 72 -4.659 -0.534 -1.979 615 3HG2 VAL 72 HG23 VAL 72 -3.243 0.513 -1.977 616 H ILE 73 HN ILE 73 -5.209 3.782 -4.398 617 HA ILE 73 HA ILE 73 -7.029 5.477 -3.165 618 HB ILE 73 HB ILE 73 -5.240 5.790 -5.559 619 1HG1 ILE 73 HG12 ILE 73 -5.271 7.227 -2.904 620 2HG1 ILE 73 HG11 ILE 73 -4.365 5.748 -3.197 621 1HG2 ILE 73 HG21 ILE 73 -5.899 8.333 -5.141 622 2HG2 ILE 73 HG22 ILE 73 -7.426 7.578 -4.691 623 3HG2 ILE 73 HG23 ILE 73 -6.754 7.313 -6.297 624 1HD1 ILE 73 HD11 ILE 73 -3.941 8.080 -4.993 625 2HD1 ILE 73 HD12 ILE 73 -2.830 6.792 -4.525 626 3HD1 ILE 73 HD13 ILE 73 -3.219 8.078 -3.385 627 H ASP 74 HN ASP 74 -7.046 4.291 -6.514 628 HA ASP 74 HA ASP 74 -9.332 5.560 -7.418 629 1HB ASP 74 HB2 ASP 74 -7.813 4.296 -8.883 630 2HB ASP 74 HB1 ASP 74 -8.357 2.788 -8.155 631 H TYR 75 HN TYR 75 -9.216 2.170 -6.202 632 HA TYR 75 HA TYR 75 -11.988 1.813 -6.141 633 1HB TYR 75 HB2 TYR 75 -9.664 0.464 -4.866 634 2HB TYR 75 HB1 TYR 75 -11.240 0.166 -4.143 635 HD1 TYR 75 HD1 TYR 75 -11.401 0.839 -7.655 636 HD2 TYR 75 HD2 TYR 75 -10.708 -2.252 -4.824 637 HE1 TYR 75 HE1 TYR 75 -11.882 -0.834 -9.382 638 HE2 TYR 75 HE2 TYR 75 -11.177 -3.942 -6.546 639 HH TYR 75 HH TYR 75 -11.343 -3.214 -9.840 640 H LYS 76 HN LYS 76 -9.813 3.320 -3.881 641 HA LYS 76 HA LYS 76 -11.647 3.590 -1.728 642 1HB LYS 76 HB2 LYS 76 -9.373 3.869 -1.168 643 2HB LYS 76 HB1 LYS 76 -9.076 4.929 -2.529 644 1HG LYS 76 HG2 LYS 76 -10.997 6.171 -0.831 645 2HG LYS 76 HG1 LYS 76 -9.632 5.620 0.144 646 1HD LYS 76 HD2 LYS 76 -8.486 6.695 -2.156 647 2HD LYS 76 HD1 LYS 76 -9.776 7.817 -1.719 648 1HE LYS 76 HE2 LYS 76 -7.647 6.816 0.171 649 2HE LYS 76 HE1 LYS 76 -7.584 8.359 -0.687 650 1HZ LYS 76 HZ1 LYS 76 -9.702 8.949 0.411 651 2HZ LYS 76 HZ2 LYS 76 -8.425 8.735 1.499 652 3HZ LYS 76 HZ3 LYS 76 -9.600 7.530 1.327 653 H GLU 77 HN GLU 77 -10.839 5.431 -4.568 654 HA GLU 77 HA GLU 77 -12.426 7.723 -3.966 655 1HB GLU 77 HB2 GLU 77 -10.900 6.705 -6.333 656 2HB GLU 77 HB1 GLU 77 -12.002 8.051 -6.533 657 1HG GLU 77 HG2 GLU 77 -10.343 8.500 -4.247 658 2HG GLU 77 HG1 GLU 77 -9.346 8.104 -5.646 659 H ARG 78 HN ARG 78 -12.976 4.631 -5.377 660 HA ARG 78 HA ARG 78 -15.522 5.456 -6.562 661 1HB ARG 78 HB2 ARG 78 -13.903 2.920 -6.737 662 2HB ARG 78 HB1 ARG 78 -15.524 3.067 -7.394 663 1HG ARG 78 HG2 ARG 78 -14.754 4.879 -8.859 664 2HG ARG 78 HG1 ARG 78 -13.124 4.690 -8.209 665 1HD ARG 78 HD2 ARG 78 -13.248 3.515 -10.295 666 2HD ARG 78 HD1 ARG 78 -13.149 2.331 -8.992 667 HE ARG 78 HE ARG 78 -15.847 2.777 -9.561 668 1HH1 ARG 78 HH11 ARG 78 -13.020 1.414 -11.074 669 2HH1 ARG 78 HH12 ARG 78 -13.919 0.291 -12.038 670 1HH2 ARG 78 HH21 ARG 78 -17.040 1.301 -10.827 671 2HH2 ARG 78 HH22 ARG 78 -16.204 0.227 -11.898 672 H ASP 79 HN ASP 79 -14.965 5.198 -3.645 673 HA ASP 79 HA ASP 79 -15.781 4.276 -1.743 674 1HB ASP 79 HB2 ASP 79 -18.136 4.390 -1.588 675 2HB ASP 79 HB1 ASP 79 -17.660 5.634 -2.728 676 H LEU 80 HN LEU 80 -14.653 2.360 -3.635 677 HA LEU 80 HA LEU 80 -16.297 -0.005 -3.451 678 1HB LEU 80 HB2 LEU 80 -13.955 0.816 -4.925 679 2HB LEU 80 HB1 LEU 80 -13.705 -0.761 -4.207 680 HG LEU 80 HG LEU 80 -16.138 -1.166 -5.262 681 1HD1 LEU 80 HD11 LEU 80 -16.354 -0.086 -7.392 682 2HD1 LEU 80 HD12 LEU 80 -14.820 0.754 -7.164 683 3HD1 LEU 80 HD13 LEU 80 -16.205 1.154 -6.146 684 1HD2 LEU 80 HD21 LEU 80 -14.085 -2.482 -5.634 685 2HD2 LEU 80 HD22 LEU 80 -13.579 -1.289 -6.830 686 3HD2 LEU 80 HD23 LEU 80 -15.028 -2.253 -7.109 687 H ILE 81 HN ILE 81 -13.614 1.443 -1.779 688 HA ILE 81 HA ILE 81 -13.076 -0.908 -0.156 689 HB ILE 81 HB ILE 81 -11.980 1.906 -0.008 690 1HG1 ILE 81 HG12 ILE 81 -10.706 -0.649 -1.014 691 2HG1 ILE 81 HG11 ILE 81 -11.376 0.611 -2.045 692 1HG2 ILE 81 HG21 ILE 81 -11.032 -0.574 1.429 693 2HG2 ILE 81 HG22 ILE 81 -11.945 0.738 2.174 694 3HG2 ILE 81 HG23 ILE 81 -10.327 1.039 1.537 695 1HD1 ILE 81 HD11 ILE 81 -9.125 1.052 -0.102 696 2HD1 ILE 81 HD12 ILE 81 -9.711 2.164 -1.339 697 3HD1 ILE 81 HD13 ILE 81 -8.906 0.667 -1.808 698 H ASP 82 HN ASP 82 -13.747 -1.215 1.921 699 HA ASP 82 HA ASP 82 -16.069 0.034 2.830 700 1HB ASP 82 HB2 ASP 82 -14.963 -2.226 3.531 701 2HB ASP 82 HB1 ASP 82 -14.128 -1.239 4.730 702 H ARG 83 HN ARG 83 -16.440 1.853 3.935 703 HA ARG 83 HA ARG 83 -14.445 3.775 4.269 704 1HB ARG 83 HB2 ARG 83 -17.090 3.704 5.709 705 2HB ARG 83 HB1 ARG 83 -16.096 5.120 5.393 706 1HG ARG 83 HG2 ARG 83 -17.558 3.442 3.377 707 2HG ARG 83 HG1 ARG 83 -17.936 5.095 3.858 708 1HD ARG 83 HD2 ARG 83 -15.570 4.102 2.282 709 2HD ARG 83 HD1 ARG 83 -16.832 5.211 1.757 710 HE ARG 83 HE ARG 83 -14.429 5.916 3.019 711 1HH1 ARG 83 HH11 ARG 83 -17.833 6.683 3.131 712 2HH1 ARG 83 HH12 ARG 83 -17.579 8.298 3.700 713 1HH2 ARG 83 HH21 ARG 83 -14.095 8.042 3.768 714 2HH2 ARG 83 HH22 ARG 83 -15.457 9.070 4.061 715 H SER 84 HN SER 84 -15.143 1.062 6.119 716 HA SER 84 HA SER 84 -14.484 2.012 8.713 717 1HB SER 84 HB2 SER 84 -14.345 -0.779 7.542 718 2HB SER 84 HB1 SER 84 -14.153 -0.400 9.254 719 HG SER 84 HG SER 84 -16.248 -0.656 9.259 720 H ALA 85 HN ALA 85 -12.623 0.702 6.031 721 HA ALA 85 HA ALA 85 -10.165 0.338 7.339 722 1HB ALA 85 HB1 ALA 85 -9.183 0.646 5.037 723 2HB ALA 85 HB2 ALA 85 -10.816 0.992 4.467 724 3HB ALA 85 HB3 ALA 85 -10.437 -0.582 5.162 725 H TYR 86 HN TYR 86 -11.508 3.089 5.604 726 HA TYR 86 HA TYR 86 -9.513 4.907 5.538 727 1HB TYR 86 HB2 TYR 86 -12.393 5.375 6.311 728 2HB TYR 86 HB1 TYR 86 -11.262 6.681 5.997 729 HD1 TYR 86 HD1 TYR 86 -12.203 3.485 4.323 730 HD2 TYR 86 HD2 TYR 86 -11.510 7.654 3.927 731 HE1 TYR 86 HE1 TYR 86 -12.744 3.334 1.929 732 HE2 TYR 86 HE2 TYR 86 -12.047 7.523 1.530 733 HH TYR 86 HH TYR 86 -13.523 4.808 0.129 Start of MODEL 10 1 1H SER 1 HT1 SER 1 10.200 -10.546 -11.934 2 2H SER 1 HT2 SER 1 8.990 -10.245 -13.079 3 3H SER 1 HT3 SER 1 9.554 -11.822 -12.839 4 HA SER 1 HA SER 1 7.404 -11.515 -11.809 5 1HB SER 1 HB2 SER 1 8.953 -13.103 -10.788 6 2HB SER 1 HB1 SER 1 9.700 -11.808 -9.853 7 HG SER 1 HG SER 1 7.228 -13.062 -9.514 8 H ASN 2 HN ASN 2 6.041 -9.981 -11.215 9 HA ASN 2 HA ASN 2 7.001 -7.457 -10.189 10 1HB ASN 2 HB2 ASN 2 4.706 -6.706 -10.411 11 2HB ASN 2 HB1 ASN 2 5.161 -7.596 -11.861 12 1HD2 ASN 2 HD21 ASN 2 2.531 -7.044 -10.631 13 2HD2 ASN 2 HD22 ASN 2 1.789 -8.590 -10.421 14 H SER 3 HN SER 3 5.528 -6.464 -8.378 15 HA SER 3 HA SER 3 5.950 -8.083 -6.039 16 1HB SER 3 HB2 SER 3 4.640 -5.360 -6.279 17 2HB SER 3 HB1 SER 3 5.206 -6.117 -4.789 18 HG SER 3 HG SER 3 6.609 -4.522 -6.077 19 H SER 4 HN SER 4 3.647 -8.144 -8.290 20 HA SER 4 HA SER 4 1.657 -9.208 -8.445 21 1HB SER 4 HB2 SER 4 0.906 -10.652 -6.802 22 2HB SER 4 HB1 SER 4 2.618 -10.520 -6.392 23 HG SER 4 HG SER 4 0.470 -9.097 -5.202 24 H MET 5 HN MET 5 1.789 -7.102 -5.562 25 HA MET 5 HA MET 5 0.483 -5.359 -4.905 26 1HB MET 5 HB2 MET 5 -0.464 -5.486 -7.767 27 2HB MET 5 HB1 MET 5 -0.884 -4.204 -6.636 28 1HG MET 5 HG2 MET 5 1.936 -4.558 -6.602 29 2HG MET 5 HG1 MET 5 1.396 -4.411 -8.278 30 1HE MET 5 HE1 MET 5 3.380 -2.527 -6.897 31 2HE MET 5 HE2 MET 5 2.633 -2.466 -5.302 32 3HE MET 5 HE3 MET 5 2.748 -1.004 -6.273 33 H ASN 6 HN ASN 6 -1.774 -6.854 -7.199 34 HA ASN 6 HA ASN 6 -3.699 -8.026 -6.941 35 1HB ASN 6 HB2 ASN 6 -2.192 -8.870 -4.812 36 2HB ASN 6 HB1 ASN 6 -3.685 -8.350 -4.037 37 1HD2 ASN 6 HD21 ASN 6 -3.216 -9.733 -7.251 38 2HD2 ASN 6 HD22 ASN 6 -4.153 -11.158 -6.973 39 HA PRO 7 HA PRO 7 -5.853 -4.120 -5.811 40 1HB PRO 7 HB2 PRO 7 -7.900 -4.680 -7.589 41 2HB PRO 7 HB1 PRO 7 -6.451 -3.751 -7.977 42 1HG PRO 7 HG2 PRO 7 -7.070 -6.609 -8.539 43 2HG PRO 7 HG1 PRO 7 -6.213 -5.427 -9.541 44 1HD PRO 7 HD2 PRO 7 -4.902 -7.329 -8.146 45 2HD PRO 7 HD1 PRO 7 -4.229 -5.707 -8.396 46 H LYS 8 HN LYS 8 -6.492 -7.429 -5.441 47 HA LYS 8 HA LYS 8 -9.149 -7.138 -4.369 48 1HB LYS 8 HB2 LYS 8 -7.237 -9.459 -4.025 49 2HB LYS 8 HB1 LYS 8 -8.970 -9.479 -3.738 50 1HG LYS 8 HG2 LYS 8 -8.926 -10.443 -5.787 51 2HG LYS 8 HG1 LYS 8 -9.032 -8.751 -6.278 52 1HD LYS 8 HD2 LYS 8 -6.345 -9.063 -6.026 53 2HD LYS 8 HD1 LYS 8 -6.828 -10.671 -6.569 54 1HE LYS 8 HE2 LYS 8 -7.422 -8.049 -7.918 55 2HE LYS 8 HE1 LYS 8 -6.308 -9.294 -8.482 56 1HZ LYS 8 HZ1 LYS 8 -9.255 -9.569 -8.228 57 2HZ LYS 8 HZ2 LYS 8 -8.202 -10.802 -8.713 58 3HZ LYS 8 HZ3 LYS 8 -8.388 -9.421 -9.673 59 H SER 9 HN SER 9 -5.938 -7.808 -3.060 60 HA SER 9 HA SER 9 -6.766 -7.504 -0.337 61 1HB SER 9 HB2 SER 9 -4.102 -7.846 -1.703 62 2HB SER 9 HB1 SER 9 -4.216 -7.557 0.029 63 HG SER 9 HG SER 9 -5.344 -9.458 0.259 64 H LEU 10 HN LEU 10 -5.281 -5.485 -2.774 65 HA LEU 10 HA LEU 10 -4.404 -3.398 -1.118 66 1HB LEU 10 HB2 LEU 10 -5.347 -3.242 -3.977 67 2HB LEU 10 HB1 LEU 10 -4.410 -2.029 -3.146 68 HG LEU 10 HG LEU 10 -3.348 -4.807 -3.484 69 1HD1 LEU 10 HD11 LEU 10 -4.015 -3.832 -5.701 70 2HD1 LEU 10 HD12 LEU 10 -2.298 -4.184 -5.521 71 3HD1 LEU 10 HD13 LEU 10 -2.876 -2.523 -5.388 72 1HD2 LEU 10 HD21 LEU 10 -2.354 -2.158 -2.628 73 2HD2 LEU 10 HD22 LEU 10 -1.257 -3.169 -3.560 74 3HD2 LEU 10 HD23 LEU 10 -1.933 -3.769 -2.048 75 H THR 11 HN THR 11 -7.542 -4.434 -1.785 76 HA THR 11 HA THR 11 -8.581 -1.808 -0.917 77 HB THR 11 HB THR 11 -10.376 -1.871 -2.408 78 HG1 THR 11 HG1 THR 11 -11.013 -3.759 -3.492 79 1HG2 THR 11 HG21 THR 11 -8.240 -1.430 -3.577 80 2HG2 THR 11 HG22 THR 11 -9.417 -2.221 -4.625 81 3HG2 THR 11 HG23 THR 11 -8.097 -3.149 -3.922 82 H ASP 12 HN ASP 12 -7.950 -4.479 0.425 83 HA ASP 12 HA ASP 12 -10.626 -4.989 1.531 84 1HB ASP 12 HB2 ASP 12 -9.429 -6.942 0.483 85 2HB ASP 12 HB1 ASP 12 -8.191 -6.775 1.722 86 HA PRO 13 HA PRO 13 -9.119 -2.398 4.872 87 1HB PRO 13 HB2 PRO 13 -11.327 -3.966 6.176 88 2HB PRO 13 HB1 PRO 13 -10.931 -2.248 6.335 89 1HG PRO 13 HG2 PRO 13 -12.899 -2.975 4.740 90 2HG PRO 13 HG1 PRO 13 -11.742 -1.729 4.207 91 1HD PRO 13 HD2 PRO 13 -11.963 -4.600 3.387 92 2HD PRO 13 HD1 PRO 13 -11.482 -3.188 2.428 93 H LYS 14 HN LYS 14 -9.369 -5.880 4.902 94 HA LYS 14 HA LYS 14 -8.324 -6.385 7.467 95 1HB LYS 14 HB2 LYS 14 -9.270 -7.996 5.575 96 2HB LYS 14 HB1 LYS 14 -7.563 -8.159 5.190 97 1HG LYS 14 HG2 LYS 14 -8.852 -8.753 7.848 98 2HG LYS 14 HG1 LYS 14 -8.298 -9.939 6.668 99 1HD LYS 14 HD2 LYS 14 -6.545 -7.940 8.102 100 2HD LYS 14 HD1 LYS 14 -6.697 -9.650 8.513 101 1HE LYS 14 HE2 LYS 14 -5.663 -8.513 5.920 102 2HE LYS 14 HE1 LYS 14 -4.695 -9.257 7.192 103 1HZ LYS 14 HZ1 LYS 14 -5.117 -10.802 5.386 104 2HZ LYS 14 HZ2 LYS 14 -6.787 -10.626 5.586 105 3HZ LYS 14 HZ3 LYS 14 -5.861 -11.341 6.807 106 H LEU 15 HN LEU 15 -6.724 -6.122 4.321 107 HA LEU 15 HA LEU 15 -4.079 -6.209 5.406 108 1HB LEU 15 HB2 LEU 15 -5.155 -5.413 2.706 109 2HB LEU 15 HB1 LEU 15 -3.460 -5.460 3.076 110 HG LEU 15 HG LEU 15 -4.028 -7.442 1.871 111 1HD1 LEU 15 HD11 LEU 15 -3.833 -9.004 4.171 112 2HD1 LEU 15 HD12 LEU 15 -3.053 -7.470 4.569 113 3HD1 LEU 15 HD13 LEU 15 -2.511 -8.400 3.170 114 1HD2 LEU 15 HD21 LEU 15 -5.695 -9.027 2.620 115 2HD2 LEU 15 HD22 LEU 15 -6.435 -7.444 2.381 116 3HD2 LEU 15 HD23 LEU 15 -6.074 -8.010 4.011 117 H LEU 16 HN LEU 16 -6.140 -3.705 4.025 118 HA LEU 16 HA LEU 16 -4.439 -1.557 4.086 119 1HB LEU 16 HB2 LEU 16 -7.351 -1.345 4.816 120 2HB LEU 16 HB1 LEU 16 -6.366 -0.193 3.938 121 HG LEU 16 HG LEU 16 -7.035 -2.917 2.852 122 1HD1 LEU 16 HD11 LEU 16 -8.906 -2.124 1.794 123 2HD1 LEU 16 HD12 LEU 16 -8.395 -0.445 1.913 124 3HD1 LEU 16 HD13 LEU 16 -9.004 -1.279 3.340 125 1HD2 LEU 16 HD21 LEU 16 -5.046 -1.494 2.020 126 2HD2 LEU 16 HD22 LEU 16 -6.288 -0.490 1.269 127 3HD2 LEU 16 HD23 LEU 16 -6.153 -2.195 0.844 128 H LYS 17 HN LYS 17 -6.564 -2.666 6.730 129 HA LYS 17 HA LYS 17 -5.698 -0.667 8.559 130 1HB LYS 17 HB2 LYS 17 -7.025 -3.343 9.026 131 2HB LYS 17 HB1 LYS 17 -6.746 -2.147 10.283 132 1HG LYS 17 HG2 LYS 17 -8.211 -0.590 9.203 133 2HG LYS 17 HG1 LYS 17 -8.389 -1.661 7.812 134 1HD LYS 17 HD2 LYS 17 -9.571 -3.270 9.090 135 2HD LYS 17 HD1 LYS 17 -9.159 -2.466 10.607 136 1HE LYS 17 HE2 LYS 17 -10.480 -0.510 9.869 137 2HE LYS 17 HE1 LYS 17 -10.963 -1.412 8.432 138 1HZ LYS 17 HZ1 LYS 17 -12.101 -2.991 9.774 139 2HZ LYS 17 HZ2 LYS 17 -12.597 -1.459 10.289 140 3HZ LYS 17 HZ3 LYS 17 -11.480 -2.336 11.205 141 H ASN 18 HN ASN 18 -4.492 -3.735 7.558 142 HA ASN 18 HA ASN 18 -2.404 -3.660 9.638 143 1HB ASN 18 HB2 ASN 18 -4.061 -5.725 9.231 144 2HB ASN 18 HB1 ASN 18 -2.894 -6.095 7.973 145 1HD2 ASN 18 HD21 ASN 18 -2.486 -8.021 9.191 146 2HD2 ASN 18 HD22 ASN 18 -1.399 -7.974 10.531 147 H ILE 19 HN ILE 19 -1.601 -1.947 8.041 148 HA ILE 19 HA ILE 19 -0.823 -2.260 5.495 149 HB ILE 19 HB ILE 19 0.697 -0.937 7.721 150 1HG1 ILE 19 HG12 ILE 19 -1.448 0.074 7.049 151 2HG1 ILE 19 HG11 ILE 19 -0.095 1.109 6.630 152 1HG2 ILE 19 HG21 ILE 19 1.352 -0.604 4.805 153 2HG2 ILE 19 HG22 ILE 19 2.205 -1.742 5.841 154 3HG2 ILE 19 HG23 ILE 19 2.250 -0.019 6.204 155 1HD1 ILE 19 HD11 ILE 19 -1.449 1.227 4.768 156 2HD1 ILE 19 HD12 ILE 19 -1.858 -0.486 4.817 157 3HD1 ILE 19 HD13 ILE 19 -0.250 0.025 4.303 158 HA PRO 20 HA PRO 20 3.356 -4.595 6.900 159 1HB PRO 20 HB2 PRO 20 1.843 -6.161 8.966 160 2HB PRO 20 HB1 PRO 20 3.568 -5.752 8.911 161 1HG PRO 20 HG2 PRO 20 1.939 -4.404 10.504 162 2HG PRO 20 HG1 PRO 20 3.201 -3.555 9.596 163 1HD PRO 20 HD2 PRO 20 0.260 -3.638 9.133 164 2HD PRO 20 HD1 PRO 20 1.419 -2.330 8.816 165 H MET 21 HN MET 21 0.180 -6.029 7.460 166 HA MET 21 HA MET 21 0.628 -8.426 6.019 167 1HB MET 21 HB2 MET 21 -1.127 -7.773 7.833 168 2HB MET 21 HB1 MET 21 -2.079 -7.209 6.468 169 1HG MET 21 HG2 MET 21 -2.899 -9.292 6.580 170 2HG MET 21 HG1 MET 21 -1.492 -9.652 5.578 171 1HE MET 21 HE1 MET 21 1.000 -11.220 8.131 172 2HE MET 21 HE2 MET 21 0.931 -9.520 7.662 173 3HE MET 21 HE3 MET 21 0.699 -10.780 6.449 174 H TRP 22 HN TRP 22 -0.967 -5.361 5.257 175 HA TRP 22 HA TRP 22 -1.886 -5.813 2.718 176 1HB TRP 22 HB2 TRP 22 -2.230 -3.757 4.043 177 2HB TRP 22 HB1 TRP 22 -0.556 -3.309 3.790 178 HD1 TRP 22 HD1 TRP 22 -3.847 -3.712 1.807 179 HE1 TRP 22 HE1 TRP 22 -3.722 -2.164 -0.243 180 HE3 TRP 22 HE3 TRP 22 0.984 -2.089 2.298 181 HZ2 TRP 22 HZ2 TRP 22 -1.840 -0.505 -1.506 182 HZ3 TRP 22 HZ3 TRP 22 1.870 -0.530 0.603 183 HH2 TRP 22 HH2 TRP 22 0.486 0.252 -1.247 184 H LEU 23 HN LEU 23 1.357 -5.108 3.826 185 HA LEU 23 HA LEU 23 2.524 -4.888 1.235 186 1HB LEU 23 HB2 LEU 23 3.645 -5.255 4.005 187 2HB LEU 23 HB1 LEU 23 4.658 -5.170 2.583 188 HG LEU 23 HG LEU 23 2.770 -2.987 3.445 189 1HD1 LEU 23 HD11 LEU 23 5.119 -1.880 3.844 190 2HD1 LEU 23 HD12 LEU 23 5.615 -3.555 4.105 191 3HD1 LEU 23 HD13 LEU 23 4.336 -2.845 5.093 192 1HD2 LEU 23 HD21 LEU 23 3.837 -1.640 1.793 193 2HD2 LEU 23 HD22 LEU 23 3.331 -3.140 1.013 194 3HD2 LEU 23 HD23 LEU 23 5.022 -2.900 1.450 195 H LYS 24 HN LYS 24 1.969 -7.469 3.548 196 HA LYS 24 HA LYS 24 3.665 -9.419 2.582 197 1HB LYS 24 HB2 LYS 24 1.638 -9.284 4.468 198 2HB LYS 24 HB1 LYS 24 1.032 -10.453 3.309 199 1HG LYS 24 HG2 LYS 24 3.762 -10.629 4.535 200 2HG LYS 24 HG1 LYS 24 2.330 -11.366 5.258 201 1HD LYS 24 HD2 LYS 24 3.038 -13.131 4.029 202 2HD LYS 24 HD1 LYS 24 2.072 -12.329 2.793 203 1HE LYS 24 HE2 LYS 24 4.187 -11.132 2.104 204 2HE LYS 24 HE1 LYS 24 5.058 -12.250 3.155 205 1HZ LYS 24 HZ1 LYS 24 5.048 -13.023 0.871 206 2HZ LYS 24 HZ2 LYS 24 3.358 -13.015 0.843 207 3HZ LYS 24 HZ3 LYS 24 4.181 -14.093 1.854 208 H SER 25 HN SER 25 0.556 -8.305 1.410 209 HA SER 25 HA SER 25 0.227 -10.362 -0.541 210 1HB SER 25 HB2 SER 25 -1.689 -9.073 0.347 211 2HB SER 25 HB1 SER 25 -1.053 -7.613 -0.413 212 HG SER 25 HG SER 25 -1.934 -8.237 -2.204 213 H LEU 26 HN LEU 26 2.000 -7.427 -0.355 214 HA LEU 26 HA LEU 26 2.487 -7.433 -3.251 215 1HB LEU 26 HB2 LEU 26 3.713 -5.274 -1.714 216 2HB LEU 26 HB1 LEU 26 2.744 -5.203 -3.172 217 HG LEU 26 HG LEU 26 1.651 -5.451 -0.376 218 1HD1 LEU 26 HD11 LEU 26 0.844 -3.125 -0.803 219 2HD1 LEU 26 HD12 LEU 26 1.901 -3.080 -2.216 220 3HD1 LEU 26 HD13 LEU 26 2.588 -3.283 -0.605 221 1HD2 LEU 26 HD21 LEU 26 -0.022 -6.371 -1.609 222 2HD2 LEU 26 HD22 LEU 26 0.413 -5.482 -3.061 223 3HD2 LEU 26 HD23 LEU 26 -0.442 -4.665 -1.757 224 H ARG 27 HN ARG 27 3.699 -8.907 -0.687 225 HA ARG 27 HA ARG 27 5.652 -9.938 -0.200 226 1HB ARG 27 HB2 ARG 27 6.208 -9.054 -3.008 227 2HB ARG 27 HB1 ARG 27 7.478 -9.799 -2.047 228 1HG ARG 27 HG2 ARG 27 4.794 -11.063 -2.549 229 2HG ARG 27 HG1 ARG 27 6.236 -11.369 -3.522 230 1HD ARG 27 HD2 ARG 27 6.155 -11.766 -0.540 231 2HD ARG 27 HD1 ARG 27 5.747 -13.045 -1.687 232 HE ARG 27 HE ARG 27 8.271 -11.924 -2.307 233 1HH1 ARG 27 HH11 ARG 27 6.699 -14.026 -0.012 234 2HH1 ARG 27 HH12 ARG 27 8.135 -14.926 0.341 235 1HH2 ARG 27 HH21 ARG 27 10.166 -13.106 -1.846 236 2HH2 ARG 27 HH22 ARG 27 10.105 -14.403 -0.699 237 H LEU 28 HN LEU 28 5.232 -6.820 0.016 238 HA LEU 28 HA LEU 28 8.054 -6.129 0.515 239 1HB LEU 28 HB2 LEU 28 5.579 -4.427 0.218 240 2HB LEU 28 HB1 LEU 28 7.099 -3.782 0.803 241 HG LEU 28 HG LEU 28 7.528 -5.214 -1.658 242 1HD1 LEU 28 HD11 LEU 28 6.278 -3.575 -3.099 243 2HD1 LEU 28 HD12 LEU 28 5.350 -3.146 -1.661 244 3HD1 LEU 28 HD13 LEU 28 5.291 -4.792 -2.290 245 1HD2 LEU 28 HD21 LEU 28 8.085 -2.683 -2.251 246 2HD2 LEU 28 HD22 LEU 28 9.144 -3.677 -1.255 247 3HD2 LEU 28 HD23 LEU 28 8.031 -2.541 -0.493 248 H HIS 29 HN HIS 29 6.268 -7.836 2.267 249 HA HIS 29 HA HIS 29 5.670 -6.403 4.614 250 1HB HIS 29 HB2 HIS 29 6.015 -8.616 5.784 251 2HB HIS 29 HB1 HIS 29 4.867 -8.663 4.445 252 HD1 HIS 29 HD1 HIS 29 6.024 -9.523 2.088 253 HD2 HIS 29 HD2 HIS 29 7.901 -10.558 5.648 254 HE1 HIS 29 HE1 HIS 29 7.539 -11.443 1.514 255 HE2 HIS 29 HE2 HIS 29 8.603 -12.108 3.700 256 H LYS 30 HN LYS 30 8.504 -7.101 3.021 257 HA LYS 30 HA LYS 30 10.453 -7.306 4.993 258 1HB LYS 30 HB2 LYS 30 11.839 -6.080 3.159 259 2HB LYS 30 HB1 LYS 30 11.199 -7.668 2.799 260 1HG LYS 30 HG2 LYS 30 9.210 -5.948 1.982 261 2HG LYS 30 HG1 LYS 30 10.693 -5.100 1.569 262 1HD LYS 30 HD2 LYS 30 10.726 -7.950 0.915 263 2HD LYS 30 HD1 LYS 30 9.520 -7.011 0.031 264 1HE LYS 30 HE2 LYS 30 11.283 -5.395 -0.545 265 2HE LYS 30 HE1 LYS 30 12.469 -6.457 0.207 266 1HZ LYS 30 HZ1 LYS 30 10.750 -7.134 -2.120 267 2HZ LYS 30 HZ2 LYS 30 11.847 -8.187 -1.382 268 3HZ LYS 30 HZ3 LYS 30 12.408 -6.801 -2.174 269 H TYR 31 HN TYR 31 8.906 -4.551 3.489 270 HA TYR 31 HA TYR 31 10.201 -2.699 5.340 271 1HB TYR 31 HB2 TYR 31 8.528 -2.185 2.878 272 2HB TYR 31 HB1 TYR 31 9.354 -0.958 3.834 273 HD1 TYR 31 HD1 TYR 31 9.558 -2.594 0.875 274 HD2 TYR 31 HD2 TYR 31 11.979 -1.812 4.284 275 HE1 TYR 31 HE1 TYR 31 11.582 -2.969 -0.475 276 HE2 TYR 31 HE2 TYR 31 14.006 -2.169 2.940 277 HH TYR 31 HH TYR 31 13.951 -2.355 -0.453 278 H SER 32 HN SER 32 8.009 -4.612 6.005 279 HA SER 32 HA SER 32 5.585 -3.229 6.332 280 1HB SER 32 HB2 SER 32 5.004 -4.968 7.950 281 2HB SER 32 HB1 SER 32 5.790 -5.690 6.547 282 HG SER 32 HG SER 32 7.019 -5.085 9.035 283 H ASP 33 HN ASP 33 8.361 -3.658 8.476 284 HA ASP 33 HA ASP 33 7.335 -2.285 10.680 285 1HB ASP 33 HB2 ASP 33 10.170 -2.703 9.728 286 2HB ASP 33 HB1 ASP 33 9.740 -2.065 11.301 287 H ALA 34 HN ALA 34 9.073 -1.159 7.825 288 HA ALA 34 HA ALA 34 9.346 1.538 8.780 289 1HB ALA 34 HB1 ALA 34 10.444 2.005 6.766 290 2HB ALA 34 HB2 ALA 34 9.670 0.659 5.932 291 3HB ALA 34 HB3 ALA 34 10.897 0.347 7.162 292 H LEU 35 HN LEU 35 6.945 -0.216 7.028 293 HA LEU 35 HA LEU 35 5.649 2.294 6.224 294 1HB LEU 35 HB2 LEU 35 5.630 -0.483 5.163 295 2HB LEU 35 HB1 LEU 35 4.194 0.491 4.937 296 HG LEU 35 HG LEU 35 5.126 1.727 3.313 297 1HD1 LEU 35 HD11 LEU 35 7.471 2.497 3.254 298 2HD1 LEU 35 HD12 LEU 35 7.772 1.647 4.767 299 3HD1 LEU 35 HD13 LEU 35 6.618 2.976 4.716 300 1HD2 LEU 35 HD21 LEU 35 5.544 -0.354 2.355 301 2HD2 LEU 35 HD22 LEU 35 6.898 -0.705 3.436 302 3HD2 LEU 35 HD23 LEU 35 7.068 0.508 2.161 303 H SER 36 HN SER 36 5.462 -0.088 8.591 304 HA SER 36 HA SER 36 2.663 -0.378 8.851 305 1HB SER 36 HB2 SER 36 4.155 -1.966 9.925 306 2HB SER 36 HB1 SER 36 4.858 -0.690 10.917 307 HG SER 36 HG SER 36 3.020 -2.145 11.738 308 H GLY 37 HN GLY 37 4.992 1.836 10.352 309 1HA GLY 37 HA2 GLY 37 3.279 3.096 12.160 310 2HA GLY 37 HA1 GLY 37 4.694 3.841 11.431 311 H THR 38 HN THR 38 3.095 3.076 8.806 312 HA THR 38 HA THR 38 1.461 5.522 8.807 313 HB THR 38 HB THR 38 2.880 4.337 6.412 314 HG1 THR 38 HG1 THR 38 3.838 6.723 7.257 315 1HG2 THR 38 HG21 THR 38 0.775 5.911 6.284 316 2HG2 THR 38 HG22 THR 38 2.158 6.172 5.218 317 3HG2 THR 38 HG23 THR 38 1.957 7.167 6.660 318 HA PRO 39 HA PRO 39 -1.913 2.680 7.908 319 1HB PRO 39 HB2 PRO 39 -3.768 4.534 7.251 320 2HB PRO 39 HB1 PRO 39 -3.278 4.241 8.921 321 1HG PRO 39 HG2 PRO 39 -2.280 6.321 7.013 322 2HG PRO 39 HG1 PRO 39 -2.854 6.545 8.675 323 1HD PRO 39 HD2 PRO 39 -0.250 6.421 8.170 324 2HD PRO 39 HD1 PRO 39 -0.921 5.582 9.587 325 H TRP 40 HN TRP 40 -3.642 2.562 6.034 326 HA TRP 40 HA TRP 40 -2.161 2.472 3.598 327 1HB TRP 40 HB2 TRP 40 -4.143 1.591 2.552 328 2HB TRP 40 HB1 TRP 40 -3.940 0.821 4.114 329 HD1 TRP 40 HD1 TRP 40 -5.721 1.548 6.064 330 HE1 TRP 40 HE1 TRP 40 -8.151 2.388 5.858 331 HE3 TRP 40 HE3 TRP 40 -5.696 2.980 1.142 332 HZ2 TRP 40 HZ2 TRP 40 -9.816 3.525 3.902 333 HZ3 TRP 40 HZ3 TRP 40 -7.752 3.948 0.193 334 HH2 TRP 40 HH2 TRP 40 -9.766 4.206 1.544 335 H ILE 41 HN ILE 41 -4.876 4.450 4.750 336 HA ILE 41 HA ILE 41 -5.331 5.977 2.510 337 HB ILE 41 HB ILE 41 -6.534 6.045 4.782 338 1HG1 ILE 41 HG12 ILE 41 -6.550 8.816 4.184 339 2HG1 ILE 41 HG11 ILE 41 -6.273 7.965 2.665 340 1HG2 ILE 41 HG21 ILE 41 -4.717 8.363 5.338 341 2HG2 ILE 41 HG22 ILE 41 -4.350 6.748 5.940 342 3HG2 ILE 41 HG23 ILE 41 -5.844 7.550 6.425 343 1HD1 ILE 41 HD11 ILE 41 -8.544 7.446 4.574 344 2HD1 ILE 41 HD12 ILE 41 -8.278 6.643 3.024 345 3HD1 ILE 41 HD13 ILE 41 -8.644 8.369 3.074 346 H GLU 42 HN GLU 42 -2.591 6.009 4.616 347 HA GLU 42 HA GLU 42 -1.620 8.507 3.416 348 1HB GLU 42 HB2 GLU 42 -0.751 6.955 5.849 349 2HB GLU 42 HB1 GLU 42 0.213 8.261 5.171 350 1HG GLU 42 HG2 GLU 42 -1.770 9.757 5.455 351 2HG GLU 42 HG1 GLU 42 -2.559 8.440 6.324 352 H LEU 43 HN LEU 43 -0.921 5.105 3.802 353 HA LEU 43 HA LEU 43 1.610 4.940 2.644 354 1HB LEU 43 HB2 LEU 43 -0.452 3.171 3.427 355 2HB LEU 43 HB1 LEU 43 -0.016 2.742 1.790 356 HG LEU 43 HG LEU 43 1.224 1.396 3.391 357 1HD1 LEU 43 HD11 LEU 43 3.522 1.936 2.632 358 2HD1 LEU 43 HD12 LEU 43 2.892 3.427 1.933 359 3HD1 LEU 43 HD13 LEU 43 2.340 1.866 1.326 360 1HD2 LEU 43 HD21 LEU 43 2.206 2.189 5.231 361 2HD2 LEU 43 HD22 LEU 43 1.249 3.642 4.942 362 3HD2 LEU 43 HD23 LEU 43 2.916 3.558 4.373 363 H ILE 44 HN ILE 44 -1.538 4.385 1.182 364 HA ILE 44 HA ILE 44 -0.769 4.261 -1.474 365 HB ILE 44 HB ILE 44 -3.095 4.525 -2.004 366 1HG1 ILE 44 HG12 ILE 44 -3.609 5.340 0.855 367 2HG1 ILE 44 HG11 ILE 44 -3.377 6.522 -0.415 368 1HG2 ILE 44 HG21 ILE 44 -4.063 2.970 -0.193 369 2HG2 ILE 44 HG22 ILE 44 -2.447 3.014 0.504 370 3HG2 ILE 44 HG23 ILE 44 -2.687 2.400 -1.133 371 1HD1 ILE 44 HD11 ILE 44 -5.767 5.660 0.325 372 2HD1 ILE 44 HD12 ILE 44 -5.401 4.417 -0.873 373 3HD1 ILE 44 HD13 ILE 44 -5.406 6.117 -1.337 374 H TYR 45 HN TYR 45 -0.589 6.873 0.569 375 HA TYR 45 HA TYR 45 -0.907 8.819 -1.611 376 1HB TYR 45 HB2 TYR 45 -1.195 8.999 1.354 377 2HB TYR 45 HB1 TYR 45 -0.698 10.438 0.474 378 HD1 TYR 45 HD1 TYR 45 -2.920 8.154 -1.283 379 HD2 TYR 45 HD2 TYR 45 -2.772 11.499 1.348 380 HE1 TYR 45 HE1 TYR 45 -5.282 8.647 -1.786 381 HE2 TYR 45 HE2 TYR 45 -5.125 11.999 0.851 382 HH TYR 45 HH TYR 45 -6.770 11.579 -0.900 383 H LEU 46 HN LEU 46 1.430 7.200 0.265 384 HA LEU 46 HA LEU 46 3.473 9.129 0.412 385 1HB LEU 46 HB2 LEU 46 3.844 6.162 0.032 386 2HB LEU 46 HB1 LEU 46 5.011 7.280 0.680 387 HG LEU 46 HG LEU 46 2.488 6.323 2.002 388 1HD1 LEU 46 HD11 LEU 46 4.126 5.571 3.723 389 2HD1 LEU 46 HD12 LEU 46 5.428 6.045 2.624 390 3HD1 LEU 46 HD13 LEU 46 4.300 4.765 2.163 391 1HD2 LEU 46 HD21 LEU 46 4.063 8.756 2.460 392 2HD2 LEU 46 HD22 LEU 46 3.796 7.763 3.892 393 3HD2 LEU 46 HD23 LEU 46 2.419 8.354 2.960 394 H ASP 47 HN ASP 47 5.675 8.132 -0.786 395 HA ASP 47 HA ASP 47 5.220 7.688 -3.603 396 1HB ASP 47 HB2 ASP 47 6.625 10.211 -2.682 397 2HB ASP 47 HB1 ASP 47 6.488 9.661 -4.348 398 H ASP 48 HN ASP 48 7.363 7.555 -4.768 399 HA ASP 48 HA ASP 48 8.964 5.597 -3.750 400 1HB ASP 48 HB2 ASP 48 9.368 5.986 -5.990 401 2HB ASP 48 HB1 ASP 48 9.396 7.734 -5.792 402 H GLU 49 HN GLU 49 9.456 9.081 -3.451 403 HA GLU 49 HA GLU 49 11.890 9.019 -2.079 404 1HB GLU 49 HB2 GLU 49 10.979 11.088 -2.992 405 2HB GLU 49 HB1 GLU 49 9.654 11.032 -1.838 406 1HG GLU 49 HG2 GLU 49 11.285 11.247 0.010 407 2HG GLU 49 HG1 GLU 49 12.574 11.383 -1.190 408 H THR 50 HN THR 50 8.645 9.470 -0.643 409 HA THR 50 HA THR 50 9.322 9.436 2.010 410 HB THR 50 HB THR 50 6.845 8.218 0.784 411 HG1 THR 50 HG1 THR 50 7.638 10.833 1.441 412 1HG2 THR 50 HG21 THR 50 7.169 7.482 3.086 413 2HG2 THR 50 HG22 THR 50 5.828 8.624 2.983 414 3HG2 THR 50 HG23 THR 50 7.390 9.154 3.603 415 H LEU 51 HN LEU 51 8.344 6.569 0.118 416 HA LEU 51 HA LEU 51 8.595 4.632 2.017 417 1HB LEU 51 HB2 LEU 51 9.133 4.670 -0.929 418 2HB LEU 51 HB1 LEU 51 9.323 3.193 -0.007 419 HG LEU 51 HG LEU 51 6.952 3.480 0.760 420 1HD1 LEU 51 HD11 LEU 51 6.908 5.932 0.148 421 2HD1 LEU 51 HD12 LEU 51 5.492 4.971 -0.263 422 3HD1 LEU 51 HD13 LEU 51 6.660 5.393 -1.513 423 1HD2 LEU 51 HD21 LEU 51 7.161 1.834 -0.827 424 2HD2 LEU 51 HD22 LEU 51 7.755 2.949 -2.054 425 3HD2 LEU 51 HD23 LEU 51 6.043 2.940 -1.627 426 H GLU 52 HN GLU 52 11.178 6.134 0.125 427 HA GLU 52 HA GLU 52 13.269 4.444 1.024 428 1HB GLU 52 HB2 GLU 52 13.263 6.166 -0.902 429 2HB GLU 52 HB1 GLU 52 13.606 7.363 0.344 430 1HG GLU 52 HG2 GLU 52 15.614 6.062 0.975 431 2HG GLU 52 HG1 GLU 52 15.297 4.978 -0.379 432 H LYS 53 HN LYS 53 11.907 7.464 2.094 433 HA LYS 53 HA LYS 53 13.638 8.068 4.204 434 1HB LYS 53 HB2 LYS 53 10.690 8.688 4.202 435 2HB LYS 53 HB1 LYS 53 11.995 9.615 4.931 436 1HG LYS 53 HG2 LYS 53 11.960 9.161 1.988 437 2HG LYS 53 HG1 LYS 53 10.935 10.407 2.699 438 1HD LYS 53 HD2 LYS 53 13.884 10.228 3.259 439 2HD LYS 53 HD1 LYS 53 13.239 11.122 1.879 440 1HE LYS 53 HE2 LYS 53 12.140 11.603 4.598 441 2HE LYS 53 HE1 LYS 53 13.680 12.338 4.150 442 1HZ LYS 53 HZ1 LYS 53 11.111 12.665 2.689 443 2HZ LYS 53 HZ2 LYS 53 12.583 13.383 2.267 444 3HZ LYS 53 HZ3 LYS 53 11.814 13.817 3.711 445 H LYS 54 HN LYS 54 10.917 5.852 4.024 446 HA LYS 54 HA LYS 54 10.746 5.408 6.852 447 1HB LYS 54 HB2 LYS 54 9.732 3.452 4.816 448 2HB LYS 54 HB1 LYS 54 9.039 3.905 6.366 449 1HG LYS 54 HG2 LYS 54 9.131 5.696 3.957 450 2HG LYS 54 HG1 LYS 54 7.733 4.737 4.443 451 1HD LYS 54 HD2 LYS 54 8.735 6.258 6.667 452 2HD LYS 54 HD1 LYS 54 8.409 7.316 5.295 453 1HE LYS 54 HE2 LYS 54 6.169 6.858 5.300 454 2HE LYS 54 HE1 LYS 54 6.406 5.239 5.963 455 1HZ LYS 54 HZ1 LYS 54 5.360 6.968 7.475 456 2HZ LYS 54 HZ2 LYS 54 6.893 7.675 7.574 457 3HZ LYS 54 HZ3 LYS 54 6.657 6.090 8.114 458 H GLY 55 HN GLY 55 11.683 3.357 4.128 459 1HA GLY 55 HA2 GLY 55 14.100 2.447 5.121 460 2HA GLY 55 HA1 GLY 55 12.873 1.319 5.693 461 H VAL 56 HN VAL 56 11.432 2.195 3.057 462 HA VAL 56 HA VAL 56 12.236 -0.036 1.492 463 HB VAL 56 HB VAL 56 10.649 2.306 0.455 464 1HG1 VAL 56 HG11 VAL 56 9.972 -0.538 -0.067 465 2HG1 VAL 56 HG12 VAL 56 11.370 0.152 -0.879 466 3HG1 VAL 56 HG13 VAL 56 9.781 0.876 -1.097 467 1HG2 VAL 56 HG21 VAL 56 8.653 0.854 1.341 468 2HG2 VAL 56 HG22 VAL 56 9.447 2.016 2.403 469 3HG2 VAL 56 HG23 VAL 56 9.850 0.303 2.511 470 H LEU 57 HN LEU 57 14.509 0.462 1.408 471 HA LEU 57 HA LEU 57 15.412 2.763 -0.097 472 1HB LEU 57 HB2 LEU 57 16.666 0.553 1.454 473 2HB LEU 57 HB1 LEU 57 17.653 1.459 0.325 474 HG LEU 57 HG LEU 57 17.533 3.417 1.594 475 1HD1 LEU 57 HD11 LEU 57 15.409 2.382 3.425 476 2HD1 LEU 57 HD12 LEU 57 14.958 3.137 1.903 477 3HD1 LEU 57 HD13 LEU 57 15.884 4.045 3.093 478 1HD2 LEU 57 HD21 LEU 57 18.801 1.576 2.673 479 2HD2 LEU 57 HD22 LEU 57 17.368 1.228 3.646 480 3HD2 LEU 57 HD23 LEU 57 18.192 2.781 3.810 481 H ALA 58 HN ALA 58 13.926 0.310 -1.307 482 HA ALA 58 HA ALA 58 15.935 -0.386 -3.344 483 1HB ALA 58 HB1 ALA 58 14.953 -2.404 -3.592 484 2HB ALA 58 HB2 ALA 58 13.335 -1.763 -3.307 485 3HB ALA 58 HB3 ALA 58 14.411 -2.080 -1.943 486 H LEU 59 HN LEU 59 15.876 0.947 -5.027 487 HA LEU 59 HA LEU 59 13.795 2.571 -5.828 488 1HB LEU 59 HB2 LEU 59 16.110 1.332 -7.259 489 2HB LEU 59 HB1 LEU 59 14.871 2.119 -8.214 490 HG LEU 59 HG LEU 59 16.802 3.581 -7.738 491 1HD1 LEU 59 HD11 LEU 59 15.480 5.515 -6.955 492 2HD1 LEU 59 HD12 LEU 59 14.172 4.410 -6.531 493 3HD1 LEU 59 HD13 LEU 59 14.668 4.585 -8.215 494 1HD2 LEU 59 HD21 LEU 59 17.158 4.446 -5.503 495 2HD2 LEU 59 HD22 LEU 59 17.341 2.693 -5.510 496 3HD2 LEU 59 HD23 LEU 59 15.868 3.422 -4.874 497 H GLY 60 HN GLY 60 14.341 -0.807 -6.290 498 1HA GLY 60 HA2 GLY 60 12.311 -1.195 -8.255 499 2HA GLY 60 HA1 GLY 60 13.136 -2.451 -7.354 500 H ALA 61 HN ALA 61 12.488 -1.591 -4.754 501 HA ALA 61 HA ALA 61 9.880 -2.730 -4.509 502 1HB ALA 61 HB1 ALA 61 10.366 -3.025 -2.329 503 2HB ALA 61 HB2 ALA 61 11.152 -1.457 -2.161 504 3HB ALA 61 HB3 ALA 61 12.004 -2.797 -2.932 505 H ARG 62 HN ARG 62 11.167 0.506 -3.648 506 HA ARG 62 HA ARG 62 8.668 1.448 -2.753 507 1HB ARG 62 HB2 ARG 62 9.717 3.651 -2.678 508 2HB ARG 62 HB1 ARG 62 10.729 2.423 -1.962 509 1HG ARG 62 HG2 ARG 62 11.996 2.346 -4.130 510 2HG ARG 62 HG1 ARG 62 11.093 3.787 -4.602 511 1HD ARG 62 HD2 ARG 62 11.927 4.930 -2.573 512 2HD ARG 62 HD1 ARG 62 12.878 3.501 -2.188 513 HE ARG 62 HE ARG 62 13.969 3.958 -4.446 514 1HH1 ARG 62 HH11 ARG 62 12.663 6.460 -2.405 515 2HH1 ARG 62 HH12 ARG 62 13.782 7.666 -2.947 516 1HH2 ARG 62 HH21 ARG 62 15.458 5.546 -5.152 517 2HH2 ARG 62 HH22 ARG 62 15.366 7.147 -4.503 518 H ARG 63 HN ARG 63 10.454 2.417 -5.675 519 HA ARG 63 HA ARG 63 8.519 3.995 -6.818 520 1HB ARG 63 HB2 ARG 63 10.539 2.158 -8.096 521 2HB ARG 63 HB1 ARG 63 9.461 3.153 -9.059 522 1HG ARG 63 HG2 ARG 63 10.354 5.154 -7.898 523 2HG ARG 63 HG1 ARG 63 11.515 4.105 -7.080 524 1HD ARG 63 HD2 ARG 63 12.477 3.454 -9.197 525 2HD ARG 63 HD1 ARG 63 11.253 4.373 -10.072 526 HE ARG 63 HE ARG 63 12.714 6.028 -8.279 527 1HH1 ARG 63 HH11 ARG 63 12.894 4.452 -11.382 528 2HH1 ARG 63 HH12 ARG 63 14.026 5.589 -12.036 529 1HH2 ARG 63 HH21 ARG 63 14.204 7.528 -9.133 530 2HH2 ARG 63 HH22 ARG 63 14.771 7.335 -10.759 531 H LYS 64 HN LYS 64 8.558 0.579 -6.379 532 HA LYS 64 HA LYS 64 6.553 -0.033 -8.359 533 1HB LYS 64 HB2 LYS 64 8.196 -1.485 -6.411 534 2HB LYS 64 HB1 LYS 64 6.575 -2.142 -6.602 535 1HG LYS 64 HG2 LYS 64 8.361 -3.140 -8.082 536 2HG LYS 64 HG1 LYS 64 6.890 -2.595 -8.887 537 1HD LYS 64 HD2 LYS 64 7.982 -0.594 -9.651 538 2HD LYS 64 HD1 LYS 64 9.423 -0.964 -8.703 539 1HE LYS 64 HE2 LYS 64 9.768 -2.988 -10.057 540 2HE LYS 64 HE1 LYS 64 8.353 -2.569 -11.022 541 1HZ LYS 64 HZ1 LYS 64 10.398 -1.890 -12.109 542 2HZ LYS 64 HZ2 LYS 64 10.823 -0.937 -10.779 543 3HZ LYS 64 HZ3 LYS 64 9.466 -0.537 -11.706 544 H LEU 65 HN LEU 65 6.613 0.255 -4.825 545 HA LEU 65 HA LEU 65 3.982 -0.461 -4.340 546 1HB LEU 65 HB2 LEU 65 6.022 1.122 -2.932 547 2HB LEU 65 HB1 LEU 65 4.360 1.395 -2.435 548 HG LEU 65 HG LEU 65 5.141 -1.429 -2.692 549 1HD1 LEU 65 HD11 LEU 65 6.292 0.316 -0.530 550 2HD1 LEU 65 HD12 LEU 65 7.187 -0.523 -1.804 551 3HD1 LEU 65 HD13 LEU 65 6.333 -1.448 -0.564 552 1HD2 LEU 65 HD21 LEU 65 3.878 -1.565 -0.585 553 2HD2 LEU 65 HD22 LEU 65 2.958 -0.794 -1.881 554 3HD2 LEU 65 HD23 LEU 65 3.688 0.189 -0.606 555 H LEU 66 HN LEU 66 5.280 2.417 -5.731 556 HA LEU 66 HA LEU 66 3.193 4.208 -5.270 557 1HB LEU 66 HB2 LEU 66 5.259 3.907 -7.401 558 2HB LEU 66 HB1 LEU 66 3.941 5.034 -7.674 559 HG LEU 66 HG LEU 66 5.333 5.262 -5.074 560 1HD1 LEU 66 HD11 LEU 66 6.679 5.661 -7.696 561 2HD1 LEU 66 HD12 LEU 66 7.332 5.085 -6.159 562 3HD1 LEU 66 HD13 LEU 66 6.999 6.802 -6.390 563 1HD2 LEU 66 HD21 LEU 66 5.035 7.654 -5.560 564 2HD2 LEU 66 HD22 LEU 66 3.520 6.759 -5.656 565 3HD2 LEU 66 HD23 LEU 66 4.357 7.237 -7.133 566 H LYS 67 HN LYS 67 3.351 1.362 -7.154 567 HA LYS 67 HA LYS 67 1.137 1.972 -8.886 568 1HB LYS 67 HB2 LYS 67 2.569 -0.598 -8.194 569 2HB LYS 67 HB1 LYS 67 1.182 -0.542 -9.267 570 1HG LYS 67 HG2 LYS 67 3.422 1.286 -9.889 571 2HG LYS 67 HG1 LYS 67 3.681 -0.440 -10.151 572 1HD LYS 67 HD2 LYS 67 1.392 1.173 -11.275 573 2HD LYS 67 HD1 LYS 67 2.832 0.687 -12.167 574 1HE LYS 67 HE2 LYS 67 2.269 -1.664 -11.806 575 2HE LYS 67 HE1 LYS 67 0.831 -1.180 -10.906 576 1HZ LYS 67 HZ1 LYS 67 -0.007 -0.112 -12.915 577 2HZ LYS 67 HZ2 LYS 67 0.274 -1.760 -13.173 578 3HZ LYS 67 HZ3 LYS 67 1.363 -0.612 -13.774 579 H ALA 68 HN ALA 68 1.698 0.236 -5.880 580 HA ALA 68 HA ALA 68 -0.965 -0.743 -5.598 581 1HB ALA 68 HB1 ALA 68 -0.265 -1.118 -3.201 582 2HB ALA 68 HB2 ALA 68 1.303 -0.429 -3.631 583 3HB ALA 68 HB3 ALA 68 0.739 -1.903 -4.419 584 H PHE 69 HN PHE 69 0.667 2.203 -4.835 585 HA PHE 69 HA PHE 69 -1.130 3.212 -2.919 586 1HB PHE 69 HB2 PHE 69 0.772 4.581 -4.824 587 2HB PHE 69 HB1 PHE 69 -0.119 5.421 -3.567 588 HD1 PHE 69 HD1 PHE 69 0.480 2.442 -2.029 589 HD2 PHE 69 HD2 PHE 69 2.620 5.828 -3.472 590 HE1 PHE 69 HE1 PHE 69 2.292 1.975 -0.435 591 HE2 PHE 69 HE2 PHE 69 4.425 5.368 -1.875 592 HZ PHE 69 HZ PHE 69 4.260 3.445 -0.339 593 H GLY 70 HN GLY 70 -0.956 3.526 -6.448 594 1HA GLY 70 HA2 GLY 70 -3.190 5.303 -6.594 595 2HA GLY 70 HA1 GLY 70 -2.420 4.497 -7.951 596 H ILE 71 HN ILE 71 -2.792 1.845 -7.285 597 HA ILE 71 HA ILE 71 -5.357 1.331 -8.211 598 HB ILE 71 HB ILE 71 -3.651 -0.506 -6.520 599 1HG1 ILE 71 HG12 ILE 71 -3.807 -0.586 -9.512 600 2HG1 ILE 71 HG11 ILE 71 -2.729 0.566 -8.730 601 1HG2 ILE 71 HG21 ILE 71 -5.749 -1.239 -8.550 602 2HG2 ILE 71 HG22 ILE 71 -6.065 -1.134 -6.819 603 3HG2 ILE 71 HG23 ILE 71 -4.904 -2.311 -7.433 604 1HD1 ILE 71 HD11 ILE 71 -2.663 -2.378 -8.152 605 2HD1 ILE 71 HD12 ILE 71 -1.459 -1.153 -7.742 606 3HD1 ILE 71 HD13 ILE 71 -1.707 -1.619 -9.425 607 H VAL 72 HN VAL 72 -4.153 1.599 -4.911 608 HA VAL 72 HA VAL 72 -6.581 0.702 -3.676 609 HB VAL 72 HB VAL 72 -4.358 2.376 -2.502 610 1HG1 VAL 72 HG11 VAL 72 -5.240 1.733 -0.332 611 2HG1 VAL 72 HG12 VAL 72 -6.542 0.836 -1.101 612 3HG1 VAL 72 HG13 VAL 72 -6.466 2.587 -1.264 613 1HG2 VAL 72 HG21 VAL 72 -3.824 0.029 -3.375 614 2HG2 VAL 72 HG22 VAL 72 -4.796 -0.557 -2.029 615 3HG2 VAL 72 HG23 VAL 72 -3.361 0.417 -1.721 616 H ILE 73 HN ILE 73 -5.166 3.846 -4.408 617 HA ILE 73 HA ILE 73 -7.029 5.502 -3.183 618 HB ILE 73 HB ILE 73 -5.230 5.854 -5.562 619 1HG1 ILE 73 HG12 ILE 73 -5.332 7.269 -2.892 620 2HG1 ILE 73 HG11 ILE 73 -4.344 5.852 -3.218 621 1HG2 ILE 73 HG21 ILE 73 -5.904 8.354 -5.305 622 2HG2 ILE 73 HG22 ILE 73 -7.394 7.687 -4.637 623 3HG2 ILE 73 HG23 ILE 73 -6.902 7.274 -6.278 624 1HD1 ILE 73 HD11 ILE 73 -4.075 8.299 -4.908 625 2HD1 ILE 73 HD12 ILE 73 -2.903 7.017 -4.593 626 3HD1 ILE 73 HD13 ILE 73 -3.281 8.194 -3.338 627 H ASP 74 HN ASP 74 -6.945 4.566 -6.622 628 HA ASP 74 HA ASP 74 -9.312 5.720 -7.438 629 1HB ASP 74 HB2 ASP 74 -7.517 4.466 -8.819 630 2HB ASP 74 HB1 ASP 74 -8.441 3.015 -8.448 631 H TYR 75 HN TYR 75 -8.902 2.338 -6.306 632 HA TYR 75 HA TYR 75 -11.637 1.698 -6.380 633 1HB TYR 75 HB2 TYR 75 -9.323 0.545 -4.830 634 2HB TYR 75 HB1 TYR 75 -10.955 -0.114 -4.718 635 HD1 TYR 75 HD1 TYR 75 -11.931 0.065 -7.445 636 HD2 TYR 75 HD2 TYR 75 -8.065 -1.018 -6.049 637 HE1 TYR 75 HE1 TYR 75 -11.571 -1.241 -9.492 638 HE2 TYR 75 HE2 TYR 75 -7.691 -2.327 -8.096 639 HH TYR 75 HH TYR 75 -9.031 -3.454 -9.834 640 H LYS 76 HN LYS 76 -9.679 3.320 -3.986 641 HA LYS 76 HA LYS 76 -11.602 3.293 -1.890 642 1HB LYS 76 HB2 LYS 76 -9.367 3.823 -1.258 643 2HB LYS 76 HB1 LYS 76 -9.211 5.020 -2.522 644 1HG LYS 76 HG2 LYS 76 -11.266 6.036 -1.033 645 2HG LYS 76 HG1 LYS 76 -10.247 5.277 0.188 646 1HD LYS 76 HD2 LYS 76 -8.755 6.796 -1.810 647 2HD LYS 76 HD1 LYS 76 -9.868 7.780 -0.858 648 1HE LYS 76 HE2 LYS 76 -8.864 6.822 1.196 649 2HE LYS 76 HE1 LYS 76 -7.701 5.965 0.187 650 1HZ LYS 76 HZ1 LYS 76 -6.778 8.018 1.060 651 2HZ LYS 76 HZ2 LYS 76 -8.014 8.913 0.332 652 3HZ LYS 76 HZ3 LYS 76 -6.893 8.087 -0.627 653 H GLU 77 HN GLU 77 -10.921 5.285 -4.650 654 HA GLU 77 HA GLU 77 -12.729 7.399 -4.063 655 1HB GLU 77 HB2 GLU 77 -11.187 6.515 -6.489 656 2HB GLU 77 HB1 GLU 77 -12.290 7.871 -6.558 657 1HG GLU 77 HG2 GLU 77 -10.389 7.971 -4.340 658 2HG GLU 77 HG1 GLU 77 -9.657 8.025 -5.941 659 H ARG 78 HN ARG 78 -12.970 4.291 -5.571 660 HA ARG 78 HA ARG 78 -15.540 4.889 -6.806 661 1HB ARG 78 HB2 ARG 78 -13.741 2.474 -6.796 662 2HB ARG 78 HB1 ARG 78 -15.370 2.415 -7.449 663 1HG ARG 78 HG2 ARG 78 -14.793 4.158 -9.056 664 2HG ARG 78 HG1 ARG 78 -13.158 4.223 -8.394 665 1HD ARG 78 HD2 ARG 78 -12.709 1.984 -9.095 666 2HD ARG 78 HD1 ARG 78 -14.395 1.729 -9.543 667 HE ARG 78 HE ARG 78 -13.409 3.881 -11.024 668 1HH1 ARG 78 HH11 ARG 78 -12.942 0.441 -10.731 669 2HH1 ARG 78 HH12 ARG 78 -12.471 0.235 -12.385 670 1HH2 ARG 78 HH21 ARG 78 -12.792 3.619 -13.202 671 2HH2 ARG 78 HH22 ARG 78 -12.386 2.041 -13.790 672 H ASP 79 HN ASP 79 -14.749 4.485 -3.777 673 HA ASP 79 HA ASP 79 -15.766 3.724 -1.889 674 1HB ASP 79 HB2 ASP 79 -17.734 4.845 -3.021 675 2HB ASP 79 HB1 ASP 79 -18.196 3.260 -3.631 676 H LEU 80 HN LEU 80 -14.441 1.904 -3.829 677 HA LEU 80 HA LEU 80 -15.824 -0.610 -3.613 678 1HB LEU 80 HB2 LEU 80 -13.612 0.450 -5.115 679 2HB LEU 80 HB1 LEU 80 -13.141 -1.058 -4.364 680 HG LEU 80 HG LEU 80 -15.503 -1.822 -5.376 681 1HD1 LEU 80 HD11 LEU 80 -15.875 -0.828 -7.543 682 2HD1 LEU 80 HD12 LEU 80 -14.506 0.262 -7.311 683 3HD1 LEU 80 HD13 LEU 80 -15.946 0.424 -6.302 684 1HD2 LEU 80 HD21 LEU 80 -13.257 -2.813 -5.756 685 2HD2 LEU 80 HD22 LEU 80 -13.006 -1.620 -7.028 686 3HD2 LEU 80 HD23 LEU 80 -14.290 -2.817 -7.186 687 H ILE 81 HN ILE 81 -13.582 1.192 -1.773 688 HA ILE 81 HA ILE 81 -12.769 -1.125 -0.168 689 HB ILE 81 HB ILE 81 -11.893 1.770 -0.075 690 1HG1 ILE 81 HG12 ILE 81 -10.372 -0.716 -0.890 691 2HG1 ILE 81 HG11 ILE 81 -11.113 0.409 -2.023 692 1HG2 ILE 81 HG21 ILE 81 -10.741 -0.544 1.481 693 2HG2 ILE 81 HG22 ILE 81 -11.894 0.605 2.160 694 3HG2 ILE 81 HG23 ILE 81 -10.311 1.160 1.614 695 1HD1 ILE 81 HD11 ILE 81 -9.042 1.261 -0.023 696 2HD1 ILE 81 HD12 ILE 81 -9.602 2.121 -1.459 697 3HD1 ILE 81 HD13 ILE 81 -8.635 0.657 -1.629 698 H ASP 82 HN ASP 82 -13.648 -1.536 1.776 699 HA ASP 82 HA ASP 82 -16.010 -0.321 2.616 700 1HB ASP 82 HB2 ASP 82 -14.835 -2.600 3.289 701 2HB ASP 82 HB1 ASP 82 -14.242 -1.628 4.634 702 H ARG 83 HN ARG 83 -16.469 1.401 3.842 703 HA ARG 83 HA ARG 83 -14.539 3.350 4.391 704 1HB ARG 83 HB2 ARG 83 -17.360 2.957 5.372 705 2HB ARG 83 HB1 ARG 83 -16.385 4.328 5.883 706 1HG ARG 83 HG2 ARG 83 -16.983 3.670 3.007 707 2HG ARG 83 HG1 ARG 83 -17.918 4.805 3.984 708 1HD ARG 83 HD2 ARG 83 -16.053 6.257 4.232 709 2HD ARG 83 HD1 ARG 83 -14.948 5.058 3.564 710 HE ARG 83 HE ARG 83 -15.721 5.565 1.416 711 1HH1 ARG 83 HH11 ARG 83 -17.395 7.402 3.861 712 2HH1 ARG 83 HH12 ARG 83 -18.047 8.547 2.736 713 1HH2 ARG 83 HH21 ARG 83 -16.577 7.068 -0.070 714 2HH2 ARG 83 HH22 ARG 83 -17.583 8.357 0.503 715 H SER 84 HN SER 84 -15.245 0.482 5.996 716 HA SER 84 HA SER 84 -14.723 1.172 8.675 717 1HB SER 84 HB2 SER 84 -15.719 -0.991 7.936 718 2HB SER 84 HB1 SER 84 -14.149 -1.461 7.289 719 HG SER 84 HG SER 84 -13.676 -0.725 9.734 720 H ALA 85 HN ALA 85 -12.652 0.321 5.964 721 HA ALA 85 HA ALA 85 -10.219 0.116 7.396 722 1HB ALA 85 HB1 ALA 85 -9.161 0.494 5.159 723 2HB ALA 85 HB2 ALA 85 -10.777 0.749 4.498 724 3HB ALA 85 HB3 ALA 85 -10.343 -0.809 5.194 725 H TYR 86 HN TYR 86 -11.858 2.763 5.763 726 HA TYR 86 HA TYR 86 -9.999 4.758 5.745 727 1HB TYR 86 HB2 TYR 86 -12.939 4.909 6.406 728 2HB TYR 86 HB1 TYR 86 -11.938 6.340 6.220 729 HD1 TYR 86 HD1 TYR 86 -12.109 3.173 4.260 730 HD2 TYR 86 HD2 TYR 86 -12.553 7.397 4.262 731 HE1 TYR 86 HE1 TYR 86 -12.528 3.118 1.837 732 HE2 TYR 86 HE2 TYR 86 -12.971 7.362 1.839 733 HH TYR 86 HH TYR 86 -12.585 5.962 -0.079 Start of MODEL 11 1 1H SER 1 HT1 SER 1 6.082 -14.884 -2.017 2 2H SER 1 HT2 SER 1 7.007 -16.160 -2.630 3 3H SER 1 HT3 SER 1 5.325 -16.307 -2.530 4 HA SER 1 HA SER 1 6.817 -14.433 -4.270 5 1HB SER 1 HB2 SER 1 5.884 -15.796 -6.112 6 2HB SER 1 HB1 SER 1 6.925 -16.751 -5.056 7 HG SER 1 HG SER 1 4.551 -16.971 -4.028 8 H ASN 2 HN ASN 2 4.847 -14.308 -6.218 9 HA ASN 2 HA ASN 2 3.002 -13.128 -6.814 10 1HB ASN 2 HB2 ASN 2 1.857 -14.980 -5.608 11 2HB ASN 2 HB1 ASN 2 1.908 -14.018 -4.135 12 1HD2 ASN 2 HD21 ASN 2 0.481 -14.379 -7.281 13 2HD2 ASN 2 HD22 ASN 2 -0.826 -13.276 -7.038 14 H SER 3 HN SER 3 4.719 -11.374 -6.299 15 HA SER 3 HA SER 3 3.927 -9.643 -4.086 16 1HB SER 3 HB2 SER 3 6.074 -8.979 -6.087 17 2HB SER 3 HB1 SER 3 5.957 -8.507 -4.388 18 HG SER 3 HG SER 3 6.749 -10.963 -5.507 19 H SER 4 HN SER 4 2.672 -10.216 -6.941 20 HA SER 4 HA SER 4 2.573 -7.757 -8.297 21 1HB SER 4 HB2 SER 4 1.924 -9.946 -9.284 22 2HB SER 4 HB1 SER 4 0.478 -9.937 -8.273 23 HG SER 4 HG SER 4 -0.410 -8.774 -9.762 24 H MET 5 HN MET 5 0.856 -6.245 -8.467 25 HA MET 5 HA MET 5 -0.280 -5.530 -5.928 26 1HB MET 5 HB2 MET 5 -0.234 -4.317 -8.665 27 2HB MET 5 HB1 MET 5 -1.381 -3.721 -7.473 28 1HG MET 5 HG2 MET 5 0.716 -2.423 -7.580 29 2HG MET 5 HG1 MET 5 0.379 -3.099 -5.988 30 1HE MET 5 HE1 MET 5 4.011 -3.416 -5.547 31 2HE MET 5 HE2 MET 5 2.563 -2.421 -5.376 32 3HE MET 5 HE3 MET 5 3.631 -2.194 -6.760 33 H ASN 6 HN ASN 6 -1.954 -6.785 -5.250 34 HA ASN 6 HA ASN 6 -3.972 -7.646 -7.160 35 1HB ASN 6 HB2 ASN 6 -3.076 -9.223 -5.480 36 2HB ASN 6 HB1 ASN 6 -3.792 -8.243 -4.201 37 1HD2 ASN 6 HD21 ASN 6 -4.410 -10.353 -6.904 38 2HD2 ASN 6 HD22 ASN 6 -6.047 -10.727 -6.496 39 HA PRO 7 HA PRO 7 -6.299 -3.901 -6.186 40 1HB PRO 7 HB2 PRO 7 -8.320 -5.247 -7.871 41 2HB PRO 7 HB1 PRO 7 -7.593 -3.649 -8.042 42 1HG PRO 7 HG2 PRO 7 -6.957 -5.678 -9.681 43 2HG PRO 7 HG1 PRO 7 -5.774 -4.449 -9.198 44 1HD PRO 7 HD2 PRO 7 -6.086 -7.258 -8.240 45 2HD PRO 7 HD1 PRO 7 -4.615 -6.305 -8.497 46 H LYS 8 HN LYS 8 -7.308 -7.221 -5.748 47 HA LYS 8 HA LYS 8 -9.722 -6.505 -4.350 48 1HB LYS 8 HB2 LYS 8 -8.320 -9.182 -4.384 49 2HB LYS 8 HB1 LYS 8 -9.987 -8.869 -3.922 50 1HG LYS 8 HG2 LYS 8 -10.296 -9.644 -6.041 51 2HG LYS 8 HG1 LYS 8 -10.142 -7.916 -6.368 52 1HD LYS 8 HD2 LYS 8 -7.535 -8.767 -6.423 53 2HD LYS 8 HD1 LYS 8 -8.398 -10.136 -7.127 54 1HE LYS 8 HE2 LYS 8 -8.410 -7.270 -8.050 55 2HE LYS 8 HE1 LYS 8 -7.783 -8.676 -8.908 56 1HZ LYS 8 HZ1 LYS 8 -10.638 -8.179 -8.258 57 2HZ LYS 8 HZ2 LYS 8 -10.038 -9.534 -9.074 58 3HZ LYS 8 HZ3 LYS 8 -9.923 -8.002 -9.781 59 H SER 9 HN SER 9 -6.517 -7.700 -3.434 60 HA SER 9 HA SER 9 -7.111 -7.645 -0.632 61 1HB SER 9 HB2 SER 9 -5.487 -9.243 -1.601 62 2HB SER 9 HB1 SER 9 -4.438 -7.894 -2.031 63 HG SER 9 HG SER 9 -3.643 -8.212 -0.113 64 H LEU 10 HN LEU 10 -5.060 -5.693 -2.764 65 HA LEU 10 HA LEU 10 -4.127 -3.880 -0.889 66 1HB LEU 10 HB2 LEU 10 -4.822 -3.342 -3.774 67 2HB LEU 10 HB1 LEU 10 -3.774 -2.356 -2.774 68 HG LEU 10 HG LEU 10 -3.209 -5.225 -3.519 69 1HD1 LEU 10 HD11 LEU 10 -3.219 -3.549 -5.415 70 2HD1 LEU 10 HD12 LEU 10 -1.728 -4.452 -5.161 71 3HD1 LEU 10 HD13 LEU 10 -1.849 -2.782 -4.610 72 1HD2 LEU 10 HD21 LEU 10 -2.148 -3.586 -1.502 73 2HD2 LEU 10 HD22 LEU 10 -0.930 -3.666 -2.776 74 3HD2 LEU 10 HD23 LEU 10 -1.551 -5.150 -2.053 75 H THR 11 HN THR 11 -7.324 -4.328 -1.937 76 HA THR 11 HA THR 11 -8.017 -1.644 -0.901 77 HB THR 11 HB THR 11 -9.750 -1.385 -2.479 78 HG1 THR 11 HG1 THR 11 -9.465 -4.155 -2.784 79 1HG2 THR 11 HG21 THR 11 -7.428 -1.064 -3.371 80 2HG2 THR 11 HG22 THR 11 -8.617 -1.464 -4.604 81 3HG2 THR 11 HG23 THR 11 -7.508 -2.700 -4.018 82 H ASP 12 HN ASP 12 -7.835 -4.350 0.344 83 HA ASP 12 HA ASP 12 -10.611 -4.630 1.264 84 1HB ASP 12 HB2 ASP 12 -9.421 -6.653 0.222 85 2HB ASP 12 HB1 ASP 12 -8.413 -6.658 1.665 86 HA PRO 13 HA PRO 13 -9.111 -2.328 4.798 87 1HB PRO 13 HB2 PRO 13 -11.409 -3.855 5.989 88 2HB PRO 13 HB1 PRO 13 -10.944 -2.163 6.228 89 1HG PRO 13 HG2 PRO 13 -12.910 -2.743 4.570 90 2HG PRO 13 HG1 PRO 13 -11.698 -1.518 4.117 91 1HD PRO 13 HD2 PRO 13 -12.012 -4.337 3.156 92 2HD PRO 13 HD1 PRO 13 -11.462 -2.899 2.276 93 H LYS 14 HN LYS 14 -9.480 -5.793 4.622 94 HA LYS 14 HA LYS 14 -8.542 -6.500 7.173 95 1HB LYS 14 HB2 LYS 14 -9.423 -7.950 5.125 96 2HB LYS 14 HB1 LYS 14 -7.704 -8.114 4.805 97 1HG LYS 14 HG2 LYS 14 -9.094 -8.863 7.372 98 2HG LYS 14 HG1 LYS 14 -8.568 -9.982 6.116 99 1HD LYS 14 HD2 LYS 14 -6.776 -8.182 7.751 100 2HD LYS 14 HD1 LYS 14 -6.982 -9.921 7.978 101 1HE LYS 14 HE2 LYS 14 -5.836 -8.528 5.564 102 2HE LYS 14 HE1 LYS 14 -4.950 -9.496 6.742 103 1HZ LYS 14 HZ1 LYS 14 -5.404 -10.751 4.729 104 2HZ LYS 14 HZ2 LYS 14 -7.067 -10.505 4.917 105 3HZ LYS 14 HZ3 LYS 14 -6.218 -11.434 6.046 106 H LEU 15 HN LEU 15 -6.798 -6.007 4.133 107 HA LEU 15 HA LEU 15 -4.207 -6.201 5.353 108 1HB LEU 15 HB2 LEU 15 -5.115 -5.288 2.625 109 2HB LEU 15 HB1 LEU 15 -3.444 -5.394 3.096 110 HG LEU 15 HG LEU 15 -3.972 -7.322 1.791 111 1HD1 LEU 15 HD11 LEU 15 -3.997 -8.942 4.069 112 2HD1 LEU 15 HD12 LEU 15 -3.182 -7.447 4.539 113 3HD1 LEU 15 HD13 LEU 15 -2.592 -8.380 3.160 114 1HD2 LEU 15 HD21 LEU 15 -5.738 -8.866 2.338 115 2HD2 LEU 15 HD22 LEU 15 -6.423 -7.251 2.161 116 3HD2 LEU 15 HD23 LEU 15 -6.168 -7.930 3.769 117 H LEU 16 HN LEU 16 -6.332 -3.662 4.232 118 HA LEU 16 HA LEU 16 -4.550 -1.507 4.402 119 1HB LEU 16 HB2 LEU 16 -7.528 -1.369 4.864 120 2HB LEU 16 HB1 LEU 16 -6.486 -0.143 4.171 121 HG LEU 16 HG LEU 16 -6.979 -2.799 2.851 122 1HD1 LEU 16 HD11 LEU 16 -8.730 -1.946 1.638 123 2HD1 LEU 16 HD12 LEU 16 -8.261 -0.276 1.928 124 3HD1 LEU 16 HD13 LEU 16 -9.015 -1.212 3.215 125 1HD2 LEU 16 HD21 LEU 16 -5.075 -0.830 2.408 126 2HD2 LEU 16 HD22 LEU 16 -6.299 -0.554 1.168 127 3HD2 LEU 16 HD23 LEU 16 -5.530 -2.132 1.311 128 H LYS 17 HN LYS 17 -6.589 -3.017 6.865 129 HA LYS 17 HA LYS 17 -5.969 -0.991 8.811 130 1HB LYS 17 HB2 LYS 17 -7.262 -3.711 9.087 131 2HB LYS 17 HB1 LYS 17 -7.091 -2.554 10.403 132 1HG LYS 17 HG2 LYS 17 -8.506 -0.986 9.281 133 2HG LYS 17 HG1 LYS 17 -8.558 -1.997 7.840 134 1HD LYS 17 HD2 LYS 17 -9.668 -3.761 9.120 135 2HD LYS 17 HD1 LYS 17 -9.639 -2.733 10.555 136 1HE LYS 17 HE2 LYS 17 -10.836 -1.593 8.100 137 2HE LYS 17 HE1 LYS 17 -11.731 -2.875 8.909 138 1HZ LYS 17 HZ1 LYS 17 -10.801 -0.352 10.167 139 2HZ LYS 17 HZ2 LYS 17 -11.640 -1.587 10.959 140 3HZ LYS 17 HZ3 LYS 17 -12.395 -0.711 9.726 141 H ASN 18 HN ASN 18 -4.678 -3.964 7.678 142 HA ASN 18 HA ASN 18 -2.581 -3.904 9.751 143 1HB ASN 18 HB2 ASN 18 -4.254 -6.022 9.175 144 2HB ASN 18 HB1 ASN 18 -2.857 -6.376 8.171 145 1HD2 ASN 18 HD21 ASN 18 -2.292 -8.163 9.378 146 2HD2 ASN 18 HD22 ASN 18 -1.602 -8.035 10.956 147 H ILE 19 HN ILE 19 -1.798 -2.196 8.197 148 HA ILE 19 HA ILE 19 -1.069 -2.487 5.613 149 HB ILE 19 HB ILE 19 0.543 -1.180 7.784 150 1HG1 ILE 19 HG12 ILE 19 -1.336 0.126 7.682 151 2HG1 ILE 19 HG11 ILE 19 -0.431 0.866 6.377 152 1HG2 ILE 19 HG21 ILE 19 0.845 -0.871 4.800 153 2HG2 ILE 19 HG22 ILE 19 1.944 -1.766 5.853 154 3HG2 ILE 19 HG23 ILE 19 1.761 -0.020 6.044 155 1HD1 ILE 19 HD11 ILE 19 -2.665 -1.131 6.141 156 2HD1 ILE 19 HD12 ILE 19 -1.721 -0.529 4.787 157 3HD1 ILE 19 HD13 ILE 19 -2.713 0.579 5.724 158 HA PRO 20 HA PRO 20 3.172 -4.679 7.021 159 1HB PRO 20 HB2 PRO 20 1.652 -6.353 9.004 160 2HB PRO 20 HB1 PRO 20 3.371 -5.916 8.999 161 1HG PRO 20 HG2 PRO 20 1.689 -4.644 10.598 162 2HG PRO 20 HG1 PRO 20 2.952 -3.746 9.741 163 1HD PRO 20 HD2 PRO 20 0.024 -3.857 9.225 164 2HD PRO 20 HD1 PRO 20 1.172 -2.531 8.950 165 H MET 21 HN MET 21 -0.004 -6.160 7.399 166 HA MET 21 HA MET 21 0.562 -8.519 5.917 167 1HB MET 21 HB2 MET 21 -1.260 -7.991 7.712 168 2HB MET 21 HB1 MET 21 -2.193 -7.406 6.339 169 1HG MET 21 HG2 MET 21 -2.653 -9.759 7.036 170 2HG MET 21 HG1 MET 21 -2.247 -9.538 5.336 171 1HE MET 21 HE1 MET 21 -0.659 -10.139 8.806 172 2HE MET 21 HE2 MET 21 0.733 -9.400 8.012 173 3HE MET 21 HE3 MET 21 0.770 -11.109 8.449 174 H TRP 22 HN TRP 22 -0.985 -5.424 5.203 175 HA TRP 22 HA TRP 22 -1.870 -5.832 2.631 176 1HB TRP 22 HB2 TRP 22 -2.198 -3.777 3.987 177 2HB TRP 22 HB1 TRP 22 -0.518 -3.349 3.726 178 HD1 TRP 22 HD1 TRP 22 -3.820 -3.714 1.763 179 HE1 TRP 22 HE1 TRP 22 -3.680 -2.204 -0.313 180 HE3 TRP 22 HE3 TRP 22 1.039 -2.169 2.217 181 HZ2 TRP 22 HZ2 TRP 22 -1.766 -0.588 -1.603 182 HZ3 TRP 22 HZ3 TRP 22 1.949 -0.645 0.503 183 HH2 TRP 22 HH2 TRP 22 0.573 0.133 -1.358 184 H LEU 23 HN LEU 23 1.360 -5.136 3.812 185 HA LEU 23 HA LEU 23 2.589 -4.949 1.250 186 1HB LEU 23 HB2 LEU 23 3.652 -5.331 4.044 187 2HB LEU 23 HB1 LEU 23 4.685 -5.205 2.640 188 HG LEU 23 HG LEU 23 2.738 -3.060 3.460 189 1HD1 LEU 23 HD11 LEU 23 5.047 -1.940 4.042 190 2HD1 LEU 23 HD12 LEU 23 5.531 -3.615 4.316 191 3HD1 LEU 23 HD13 LEU 23 4.181 -2.925 5.219 192 1HD2 LEU 23 HD21 LEU 23 3.884 -1.677 1.903 193 2HD2 LEU 23 HD22 LEU 23 3.484 -3.181 1.070 194 3HD2 LEU 23 HD23 LEU 23 5.130 -2.899 1.641 195 H LYS 24 HN LYS 24 1.808 -7.525 3.459 196 HA LYS 24 HA LYS 24 3.589 -9.490 2.695 197 1HB LYS 24 HB2 LYS 24 1.346 -9.337 4.324 198 2HB LYS 24 HB1 LYS 24 0.893 -10.516 3.109 199 1HG LYS 24 HG2 LYS 24 3.459 -10.677 4.646 200 2HG LYS 24 HG1 LYS 24 1.953 -11.393 5.223 201 1HD LYS 24 HD2 LYS 24 2.812 -13.180 4.119 202 2HD LYS 24 HD1 LYS 24 1.942 -12.425 2.787 203 1HE LYS 24 HE2 LYS 24 4.063 -11.235 2.195 204 2HE LYS 24 HE1 LYS 24 4.885 -12.227 3.401 205 1HZ LYS 24 HZ1 LYS 24 4.201 -14.206 2.179 206 2HZ LYS 24 HZ2 LYS 24 5.119 -13.176 1.201 207 3HZ LYS 24 HZ3 LYS 24 3.440 -13.244 1.012 208 H SER 25 HN SER 25 0.483 -8.557 1.263 209 HA SER 25 HA SER 25 0.524 -10.551 -0.772 210 1HB SER 25 HB2 SER 25 -1.038 -7.963 -0.537 211 2HB SER 25 HB1 SER 25 -1.295 -9.165 -1.803 212 HG SER 25 HG SER 25 -2.621 -9.232 0.246 213 H LEU 26 HN LEU 26 2.331 -7.812 -0.289 214 HA LEU 26 HA LEU 26 2.920 -7.496 -3.160 215 1HB LEU 26 HB2 LEU 26 3.514 -5.536 -0.941 216 2HB LEU 26 HB1 LEU 26 3.705 -5.266 -2.662 217 HG LEU 26 HG LEU 26 1.055 -5.709 -1.292 218 1HD1 LEU 26 HD11 LEU 26 0.684 -3.333 -1.546 219 2HD1 LEU 26 HD12 LEU 26 2.277 -3.129 -2.273 220 3HD1 LEU 26 HD13 LEU 26 2.134 -3.611 -0.583 221 1HD2 LEU 26 HD21 LEU 26 0.593 -4.426 -3.657 222 2HD2 LEU 26 HD22 LEU 26 0.422 -6.159 -3.387 223 3HD2 LEU 26 HD23 LEU 26 1.913 -5.518 -4.080 224 H ARG 27 HN ARG 27 3.967 -8.999 -0.483 225 HA ARG 27 HA ARG 27 5.909 -9.958 0.187 226 1HB ARG 27 HB2 ARG 27 6.323 -9.462 -2.678 227 2HB ARG 27 HB1 ARG 27 7.805 -9.629 -1.749 228 1HG ARG 27 HG2 ARG 27 5.559 -11.623 -1.665 229 2HG ARG 27 HG1 ARG 27 6.936 -11.741 -2.764 230 1HD ARG 27 HD2 ARG 27 8.441 -11.709 -0.789 231 2HD ARG 27 HD1 ARG 27 7.019 -11.733 0.252 232 HE ARG 27 HE ARG 27 6.746 -13.891 -1.428 233 1HH1 ARG 27 HH11 ARG 27 9.086 -12.802 0.914 234 2HH1 ARG 27 HH12 ARG 27 9.587 -14.401 1.348 235 1HH2 ARG 27 HH21 ARG 27 7.401 -16.001 -0.863 236 2HH2 ARG 27 HH22 ARG 27 8.630 -16.219 0.339 237 H LEU 28 HN LEU 28 5.412 -6.880 0.176 238 HA LEU 28 HA LEU 28 8.180 -6.041 0.692 239 1HB LEU 28 HB2 LEU 28 5.654 -4.388 0.449 240 2HB LEU 28 HB1 LEU 28 7.262 -3.742 0.703 241 HG LEU 28 HG LEU 28 6.756 -5.471 -1.684 242 1HD1 LEU 28 HD11 LEU 28 6.393 -3.016 -2.724 243 2HD1 LEU 28 HD12 LEU 28 5.564 -2.833 -1.177 244 3HD1 LEU 28 HD13 LEU 28 5.081 -4.109 -2.293 245 1HD2 LEU 28 HD21 LEU 28 9.013 -4.491 -0.863 246 2HD2 LEU 28 HD22 LEU 28 8.414 -2.984 -1.565 247 3HD2 LEU 28 HD23 LEU 28 8.603 -4.419 -2.575 248 H HIS 29 HN HIS 29 6.274 -7.703 2.448 249 HA HIS 29 HA HIS 29 5.719 -6.158 4.746 250 1HB HIS 29 HB2 HIS 29 5.769 -8.328 5.975 251 2HB HIS 29 HB1 HIS 29 4.759 -8.388 4.532 252 HD1 HIS 29 HD1 HIS 29 6.284 -9.314 2.327 253 HD2 HIS 29 HD2 HIS 29 7.328 -10.517 6.165 254 HE1 HIS 29 HE1 HIS 29 7.657 -11.400 2.028 255 HE2 HIS 29 HE2 HIS 29 8.187 -12.166 4.369 256 H LYS 30 HN LYS 30 8.468 -7.064 3.190 257 HA LYS 30 HA LYS 30 10.406 -7.332 5.190 258 1HB LYS 30 HB2 LYS 30 11.853 -6.262 3.233 259 2HB LYS 30 HB1 LYS 30 11.257 -7.896 3.115 260 1HG LYS 30 HG2 LYS 30 9.334 -6.996 1.799 261 2HG LYS 30 HG1 LYS 30 10.181 -5.449 1.780 262 1HD LYS 30 HD2 LYS 30 12.111 -7.274 1.024 263 2HD LYS 30 HD1 LYS 30 10.646 -7.857 0.225 264 1HE LYS 30 HE2 LYS 30 10.328 -5.830 -0.904 265 2HE LYS 30 HE1 LYS 30 11.457 -4.989 0.154 266 1HZ LYS 30 HZ1 LYS 30 12.433 -5.408 -2.017 267 2HZ LYS 30 HZ2 LYS 30 12.177 -7.071 -1.839 268 3HZ LYS 30 HZ3 LYS 30 13.266 -6.270 -0.822 269 H TYR 31 HN TYR 31 8.864 -4.661 3.642 270 HA TYR 31 HA TYR 31 10.323 -2.706 5.263 271 1HB TYR 31 HB2 TYR 31 8.586 -2.414 2.810 272 2HB TYR 31 HB1 TYR 31 9.258 -1.055 3.703 273 HD1 TYR 31 HD1 TYR 31 9.660 -2.474 0.763 274 HD2 TYR 31 HD2 TYR 31 11.975 -1.927 4.294 275 HE1 TYR 31 HE1 TYR 31 11.728 -2.669 -0.558 276 HE2 TYR 31 HE2 TYR 31 14.043 -2.112 2.979 277 HH TYR 31 HH TYR 31 14.783 -3.087 0.841 278 H SER 32 HN SER 32 8.141 -4.561 6.125 279 HA SER 32 HA SER 32 5.743 -3.145 6.469 280 1HB SER 32 HB2 SER 32 5.651 -5.488 6.830 281 2HB SER 32 HB1 SER 32 6.986 -5.439 7.982 282 HG SER 32 HG SER 32 5.627 -4.330 9.419 283 H ASP 33 HN ASP 33 8.501 -3.601 8.664 284 HA ASP 33 HA ASP 33 7.571 -2.131 10.797 285 1HB ASP 33 HB2 ASP 33 10.381 -2.477 9.746 286 2HB ASP 33 HB1 ASP 33 9.989 -1.811 11.318 287 H ALA 34 HN ALA 34 9.156 -1.051 7.848 288 HA ALA 34 HA ALA 34 9.350 1.691 8.687 289 1HB ALA 34 HB1 ALA 34 10.326 2.113 6.577 290 2HB ALA 34 HB2 ALA 34 9.663 0.631 5.895 291 3HB ALA 34 HB3 ALA 34 10.935 0.550 7.113 292 H LEU 35 HN LEU 35 7.019 -0.226 6.964 293 HA LEU 35 HA LEU 35 5.573 2.204 6.162 294 1HB LEU 35 HB2 LEU 35 5.708 -0.578 5.120 295 2HB LEU 35 HB1 LEU 35 4.223 0.316 4.889 296 HG LEU 35 HG LEU 35 5.081 1.564 3.239 297 1HD1 LEU 35 HD11 LEU 35 7.384 2.465 3.160 298 2HD1 LEU 35 HD12 LEU 35 7.717 1.687 4.704 299 3HD1 LEU 35 HD13 LEU 35 6.487 2.942 4.598 300 1HD2 LEU 35 HD21 LEU 35 5.621 -0.501 2.321 301 2HD2 LEU 35 HD22 LEU 35 6.981 -0.759 3.419 302 3HD2 LEU 35 HD23 LEU 35 7.101 0.435 2.120 303 H SER 36 HN SER 36 5.560 0.052 8.664 304 HA SER 36 HA SER 36 2.752 -0.462 8.851 305 1HB SER 36 HB2 SER 36 3.255 -1.364 11.076 306 2HB SER 36 HB1 SER 36 4.412 -1.974 9.893 307 HG SER 36 HG SER 36 5.951 -0.625 10.695 308 H GLY 37 HN GLY 37 5.021 1.749 10.453 309 1HA GLY 37 HA2 GLY 37 3.238 2.974 12.213 310 2HA GLY 37 HA1 GLY 37 4.671 3.739 11.542 311 H THR 38 HN THR 38 3.216 3.010 8.843 312 HA THR 38 HA THR 38 1.601 5.461 8.796 313 HB THR 38 HB THR 38 2.974 4.166 6.434 314 HG1 THR 38 HG1 THR 38 3.790 6.480 7.886 315 1HG2 THR 38 HG21 THR 38 0.900 5.813 6.310 316 2HG2 THR 38 HG22 THR 38 2.246 5.936 5.174 317 3HG2 THR 38 HG23 THR 38 2.157 7.027 6.557 318 HA PRO 39 HA PRO 39 -1.826 2.672 7.980 319 1HB PRO 39 HB2 PRO 39 -3.675 4.541 7.365 320 2HB PRO 39 HB1 PRO 39 -3.142 4.264 9.027 321 1HG PRO 39 HG2 PRO 39 -2.189 6.319 7.067 322 2HG PRO 39 HG1 PRO 39 -2.697 6.559 8.748 323 1HD PRO 39 HD2 PRO 39 -0.113 6.402 8.114 324 2HD PRO 39 HD1 PRO 39 -0.729 5.637 9.595 325 H TRP 40 HN TRP 40 -3.496 2.439 6.102 326 HA TRP 40 HA TRP 40 -2.022 2.415 3.668 327 1HB TRP 40 HB2 TRP 40 -3.995 1.537 2.604 328 2HB TRP 40 HB1 TRP 40 -3.810 0.758 4.162 329 HD1 TRP 40 HD1 TRP 40 -5.586 1.537 6.118 330 HE1 TRP 40 HE1 TRP 40 -8.005 2.393 5.887 331 HE3 TRP 40 HE3 TRP 40 -5.530 2.892 1.172 332 HZ2 TRP 40 HZ2 TRP 40 -9.650 3.517 3.906 333 HZ3 TRP 40 HZ3 TRP 40 -7.570 3.862 0.200 334 HH2 TRP 40 HH2 TRP 40 -9.589 4.162 1.538 335 H ILE 41 HN ILE 41 -4.746 4.358 4.843 336 HA ILE 41 HA ILE 41 -5.259 5.891 2.629 337 HB ILE 41 HB ILE 41 -6.380 5.923 4.955 338 1HG1 ILE 41 HG12 ILE 41 -6.567 8.667 4.351 339 2HG1 ILE 41 HG11 ILE 41 -6.244 7.855 2.818 340 1HG2 ILE 41 HG21 ILE 41 -4.583 8.288 5.393 341 2HG2 ILE 41 HG22 ILE 41 -4.222 6.696 6.058 342 3HG2 ILE 41 HG23 ILE 41 -5.703 7.532 6.527 343 1HD1 ILE 41 HD11 ILE 41 -8.443 7.095 4.728 344 2HD1 ILE 41 HD12 ILE 41 -8.160 6.437 3.115 345 3HD1 ILE 41 HD13 ILE 41 -8.645 8.122 3.309 346 H GLU 42 HN GLU 42 -2.502 6.003 4.740 347 HA GLU 42 HA GLU 42 -1.564 8.496 3.512 348 1HB GLU 42 HB2 GLU 42 -0.584 6.901 5.881 349 2HB GLU 42 HB1 GLU 42 0.304 8.262 5.213 350 1HG GLU 42 HG2 GLU 42 -2.478 8.357 6.357 351 2HG GLU 42 HG1 GLU 42 -1.007 8.917 7.151 352 H LEU 43 HN LEU 43 -0.831 5.101 3.863 353 HA LEU 43 HA LEU 43 1.661 4.929 2.646 354 1HB LEU 43 HB2 LEU 43 -0.405 3.182 3.459 355 2HB LEU 43 HB1 LEU 43 -0.010 2.753 1.811 356 HG LEU 43 HG LEU 43 1.250 1.377 3.359 357 1HD1 LEU 43 HD11 LEU 43 3.552 1.933 2.601 358 2HD1 LEU 43 HD12 LEU 43 2.906 3.421 1.912 359 3HD1 LEU 43 HD13 LEU 43 2.358 1.859 1.307 360 1HD2 LEU 43 HD21 LEU 43 2.237 2.115 5.213 361 2HD2 LEU 43 HD22 LEU 43 1.334 3.608 4.954 362 3HD2 LEU 43 HD23 LEU 43 2.993 3.469 4.375 363 H ILE 44 HN ILE 44 -1.500 4.354 1.209 364 HA ILE 44 HA ILE 44 -0.798 4.258 -1.458 365 HB ILE 44 HB ILE 44 -3.134 4.651 -1.939 366 1HG1 ILE 44 HG12 ILE 44 -3.555 5.358 0.964 367 2HG1 ILE 44 HG11 ILE 44 -3.288 6.586 -0.256 368 1HG2 ILE 44 HG21 ILE 44 -4.122 3.062 -0.155 369 2HG2 ILE 44 HG22 ILE 44 -2.474 2.986 0.466 370 3HG2 ILE 44 HG23 ILE 44 -2.820 2.475 -1.187 371 1HD1 ILE 44 HD11 ILE 44 -5.698 5.877 0.481 372 2HD1 ILE 44 HD12 ILE 44 -5.443 4.594 -0.700 373 3HD1 ILE 44 HD13 ILE 44 -5.342 6.281 -1.195 374 H TYR 45 HN TYR 45 -0.756 6.917 0.643 375 HA TYR 45 HA TYR 45 -1.008 8.847 -1.550 376 1HB TYR 45 HB2 TYR 45 -1.259 9.029 1.416 377 2HB TYR 45 HB1 TYR 45 -0.784 10.469 0.526 378 HD1 TYR 45 HD1 TYR 45 -3.009 8.149 -1.183 379 HD2 TYR 45 HD2 TYR 45 -2.853 11.526 1.408 380 HE1 TYR 45 HE1 TYR 45 -5.382 8.617 -1.656 381 HE2 TYR 45 HE2 TYR 45 -5.218 12.003 0.936 382 HH TYR 45 HH TYR 45 -7.272 9.793 -0.590 383 H LEU 46 HN LEU 46 1.373 7.251 0.294 384 HA LEU 46 HA LEU 46 3.385 9.212 0.414 385 1HB LEU 46 HB2 LEU 46 3.813 6.253 0.020 386 2HB LEU 46 HB1 LEU 46 4.961 7.398 0.659 387 HG LEU 46 HG LEU 46 2.474 6.380 2.009 388 1HD1 LEU 46 HD11 LEU 46 4.160 5.673 3.712 389 2HD1 LEU 46 HD12 LEU 46 5.428 6.152 2.578 390 3HD1 LEU 46 HD13 LEU 46 4.304 4.854 2.157 391 1HD2 LEU 46 HD21 LEU 46 4.121 8.788 2.542 392 2HD2 LEU 46 HD22 LEU 46 3.625 7.813 3.925 393 3HD2 LEU 46 HD23 LEU 46 2.407 8.497 2.844 394 H ASP 47 HN ASP 47 5.569 8.183 -0.801 395 HA ASP 47 HA ASP 47 5.085 7.829 -3.633 396 1HB ASP 47 HB2 ASP 47 6.574 10.245 -2.572 397 2HB ASP 47 HB1 ASP 47 6.543 9.746 -4.259 398 H ASP 48 HN ASP 48 7.336 7.688 -4.756 399 HA ASP 48 HA ASP 48 8.780 5.607 -3.751 400 1HB ASP 48 HB2 ASP 48 10.617 6.515 -5.262 401 2HB ASP 48 HB1 ASP 48 9.075 6.187 -6.023 402 H GLU 49 HN GLU 49 9.592 9.053 -3.551 403 HA GLU 49 HA GLU 49 11.917 8.911 -2.075 404 1HB GLU 49 HB2 GLU 49 11.099 11.004 -3.014 405 2HB GLU 49 HB1 GLU 49 9.750 11.004 -1.887 406 1HG GLU 49 HG2 GLU 49 11.357 11.173 -0.010 407 2HG GLU 49 HG1 GLU 49 12.667 11.265 -1.189 408 H THR 50 HN THR 50 8.683 9.539 -0.674 409 HA THR 50 HA THR 50 9.342 9.472 1.981 410 HB THR 50 HB THR 50 6.816 8.357 0.751 411 HG1 THR 50 HG1 THR 50 7.016 10.507 0.198 412 1HG2 THR 50 HG21 THR 50 7.103 7.631 3.063 413 2HG2 THR 50 HG22 THR 50 5.810 8.825 2.941 414 3HG2 THR 50 HG23 THR 50 7.389 9.298 3.563 415 H LEU 51 HN LEU 51 8.367 6.690 -0.007 416 HA LEU 51 HA LEU 51 8.492 4.684 1.883 417 1HB LEU 51 HB2 LEU 51 9.136 4.738 -1.052 418 2HB LEU 51 HB1 LEU 51 9.241 3.254 -0.129 419 HG LEU 51 HG LEU 51 6.726 4.901 -0.209 420 1HD1 LEU 51 HD11 LEU 51 5.912 3.494 -1.980 421 2HD1 LEU 51 HD12 LEU 51 7.423 2.585 -2.002 422 3HD1 LEU 51 HD13 LEU 51 7.403 4.276 -2.504 423 1HD2 LEU 51 HD21 LEU 51 7.324 2.025 0.477 424 2HD2 LEU 51 HD22 LEU 51 5.709 2.725 0.387 425 3HD2 LEU 51 HD23 LEU 51 6.853 3.305 1.596 426 H GLU 52 HN GLU 52 11.122 6.117 -0.004 427 HA GLU 52 HA GLU 52 13.187 4.426 0.925 428 1HB GLU 52 HB2 GLU 52 13.149 6.202 -1.001 429 2HB GLU 52 HB1 GLU 52 13.640 7.322 0.267 430 1HG GLU 52 HG2 GLU 52 15.578 5.870 0.747 431 2HG GLU 52 HG1 GLU 52 15.113 4.849 -0.612 432 H LYS 53 HN LYS 53 11.841 7.454 2.025 433 HA LYS 53 HA LYS 53 13.605 8.025 4.112 434 1HB LYS 53 HB2 LYS 53 10.662 8.680 4.078 435 2HB LYS 53 HB1 LYS 53 11.946 9.551 4.906 436 1HG LYS 53 HG2 LYS 53 11.962 9.232 1.936 437 2HG LYS 53 HG1 LYS 53 11.044 10.521 2.716 438 1HD LYS 53 HD2 LYS 53 13.955 10.057 3.292 439 2HD LYS 53 HD1 LYS 53 13.418 11.063 1.944 440 1HE LYS 53 HE2 LYS 53 12.188 11.569 4.573 441 2HE LYS 53 HE1 LYS 53 13.882 12.032 4.395 442 1HZ LYS 53 HZ1 LYS 53 11.639 12.919 2.656 443 2HZ LYS 53 HZ2 LYS 53 13.260 13.361 2.466 444 3HZ LYS 53 HZ3 LYS 53 12.404 13.858 3.837 445 H LYS 54 HN LYS 54 10.796 5.893 3.976 446 HA LYS 54 HA LYS 54 10.657 5.419 6.790 447 1HB LYS 54 HB2 LYS 54 9.662 3.429 4.780 448 2HB LYS 54 HB1 LYS 54 8.949 3.923 6.309 449 1HG LYS 54 HG2 LYS 54 9.061 5.651 3.856 450 2HG LYS 54 HG1 LYS 54 7.667 4.684 4.337 451 1HD LYS 54 HD2 LYS 54 8.560 6.237 6.565 452 2HD LYS 54 HD1 LYS 54 8.342 7.293 5.169 453 1HE LYS 54 HE2 LYS 54 6.086 6.714 4.941 454 2HE LYS 54 HE1 LYS 54 6.281 5.260 5.920 455 1HZ LYS 54 HZ1 LYS 54 6.593 8.001 7.014 456 2HZ LYS 54 HZ2 LYS 54 6.438 6.554 7.878 457 3HZ LYS 54 HZ3 LYS 54 5.118 7.174 7.023 458 H GLY 55 HN GLY 55 11.720 3.494 4.029 459 1HA GLY 55 HA2 GLY 55 14.109 2.579 5.034 460 2HA GLY 55 HA1 GLY 55 12.899 1.418 5.571 461 H VAL 56 HN VAL 56 11.396 2.251 3.009 462 HA VAL 56 HA VAL 56 12.260 0.093 1.382 463 HB VAL 56 HB VAL 56 10.538 2.378 0.443 464 1HG1 VAL 56 HG11 VAL 56 9.995 -0.470 -0.183 465 2HG1 VAL 56 HG12 VAL 56 11.368 0.302 -0.970 466 3HG1 VAL 56 HG13 VAL 56 9.749 0.972 -1.165 467 1HG2 VAL 56 HG21 VAL 56 8.660 0.739 1.313 468 2HG2 VAL 56 HG22 VAL 56 9.370 1.962 2.368 469 3HG2 VAL 56 HG23 VAL 56 9.919 0.289 2.462 470 H LEU 57 HN LEU 57 14.508 0.681 1.187 471 HA LEU 57 HA LEU 57 15.277 3.041 -0.258 472 1HB LEU 57 HB2 LEU 57 16.653 0.710 0.974 473 2HB LEU 57 HB1 LEU 57 17.527 1.650 -0.220 474 HG LEU 57 HG LEU 57 17.750 3.465 1.165 475 1HD1 LEU 57 HD11 LEU 57 16.204 3.815 3.169 476 2HD1 LEU 57 HD12 LEU 57 15.164 2.606 2.416 477 3HD1 LEU 57 HD13 LEU 57 15.534 4.102 1.564 478 1HD2 LEU 57 HD21 LEU 57 18.661 1.315 2.216 479 2HD2 LEU 57 HD22 LEU 57 17.306 1.452 3.340 480 3HD2 LEU 57 HD23 LEU 57 18.511 2.739 3.247 481 H ALA 58 HN ALA 58 14.485 -0.221 -1.075 482 HA ALA 58 HA ALA 58 15.930 -0.500 -3.472 483 1HB ALA 58 HB1 ALA 58 14.832 -2.456 -3.711 484 2HB ALA 58 HB2 ALA 58 13.268 -1.738 -3.324 485 3HB ALA 58 HB3 ALA 58 14.393 -2.153 -2.027 486 H LEU 59 HN LEU 59 15.854 0.920 -5.074 487 HA LEU 59 HA LEU 59 13.786 2.634 -5.725 488 1HB LEU 59 HB2 LEU 59 16.113 1.496 -7.176 489 2HB LEU 59 HB1 LEU 59 14.839 2.175 -8.170 490 HG LEU 59 HG LEU 59 16.623 3.798 -7.735 491 1HD1 LEU 59 HD11 LEU 59 15.166 5.616 -6.888 492 2HD1 LEU 59 HD12 LEU 59 13.968 4.393 -6.459 493 3HD1 LEU 59 HD13 LEU 59 14.413 4.636 -8.148 494 1HD2 LEU 59 HD21 LEU 59 17.009 4.679 -5.524 495 2HD2 LEU 59 HD22 LEU 59 17.264 2.935 -5.506 496 3HD2 LEU 59 HD23 LEU 59 15.778 3.615 -4.847 497 H GLY 60 HN GLY 60 14.257 -0.725 -6.351 498 1HA GLY 60 HA2 GLY 60 12.204 -0.994 -8.313 499 2HA GLY 60 HA1 GLY 60 13.007 -2.301 -7.462 500 H ALA 61 HN ALA 61 12.377 -1.469 -4.815 501 HA ALA 61 HA ALA 61 9.766 -2.588 -4.599 502 1HB ALA 61 HB1 ALA 61 10.142 -2.685 -2.306 503 2HB ALA 61 HB2 ALA 61 11.257 -1.325 -2.328 504 3HB ALA 61 HB3 ALA 61 11.745 -2.877 -3.009 505 H ARG 62 HN ARG 62 11.075 0.614 -3.657 506 HA ARG 62 HA ARG 62 8.589 1.598 -2.805 507 1HB ARG 62 HB2 ARG 62 9.649 3.790 -2.762 508 2HB ARG 62 HB1 ARG 62 10.665 2.569 -2.042 509 1HG ARG 62 HG2 ARG 62 11.956 2.477 -4.168 510 2HG ARG 62 HG1 ARG 62 11.008 3.860 -4.726 511 1HD ARG 62 HD2 ARG 62 11.752 5.099 -2.700 512 2HD ARG 62 HD1 ARG 62 12.802 3.745 -2.306 513 HE ARG 62 HE ARG 62 13.844 4.245 -4.575 514 1HH1 ARG 62 HH11 ARG 62 12.348 6.672 -2.570 515 2HH1 ARG 62 HH12 ARG 62 13.361 7.956 -3.141 516 1HH2 ARG 62 HH21 ARG 62 15.199 5.938 -5.316 517 2HH2 ARG 62 HH22 ARG 62 14.976 7.538 -4.699 518 H ARG 63 HN ARG 63 10.389 2.520 -5.742 519 HA ARG 63 HA ARG 63 8.426 4.056 -6.910 520 1HB ARG 63 HB2 ARG 63 10.470 2.233 -8.176 521 2HB ARG 63 HB1 ARG 63 9.392 3.233 -9.136 522 1HG ARG 63 HG2 ARG 63 10.276 5.226 -7.933 523 2HG ARG 63 HG1 ARG 63 11.453 4.166 -7.156 524 1HD ARG 63 HD2 ARG 63 12.406 3.578 -9.287 525 2HD ARG 63 HD1 ARG 63 11.148 4.473 -10.139 526 HE ARG 63 HE ARG 63 12.612 6.139 -8.347 527 1HH1 ARG 63 HH11 ARG 63 12.717 4.631 -11.488 528 2HH1 ARG 63 HH12 ARG 63 13.791 5.812 -12.161 529 1HH2 ARG 63 HH21 ARG 63 14.026 7.698 -9.226 530 2HH2 ARG 63 HH22 ARG 63 14.533 7.556 -10.876 531 H LYS 64 HN LYS 64 8.575 0.636 -6.466 532 HA LYS 64 HA LYS 64 6.519 -0.030 -8.372 533 1HB LYS 64 HB2 LYS 64 8.282 -1.628 -7.697 534 2HB LYS 64 HB1 LYS 64 7.622 -1.640 -6.063 535 1HG LYS 64 HG2 LYS 64 6.758 -3.566 -7.029 536 2HG LYS 64 HG1 LYS 64 5.440 -2.404 -7.183 537 1HD LYS 64 HD2 LYS 64 5.567 -3.460 -9.280 538 2HD LYS 64 HD1 LYS 64 6.368 -1.902 -9.502 539 1HE LYS 64 HE2 LYS 64 8.543 -2.969 -9.237 540 2HE LYS 64 HE1 LYS 64 7.758 -4.526 -8.974 541 1HZ LYS 64 HZ1 LYS 64 6.860 -4.414 -11.212 542 2HZ LYS 64 HZ2 LYS 64 8.547 -4.300 -11.246 543 3HZ LYS 64 HZ3 LYS 64 7.602 -2.914 -11.465 544 H LEU 65 HN LEU 65 6.706 0.435 -4.869 545 HA LEU 65 HA LEU 65 4.129 -0.360 -4.196 546 1HB LEU 65 HB2 LEU 65 6.177 1.398 -2.995 547 2HB LEU 65 HB1 LEU 65 4.534 1.613 -2.417 548 HG LEU 65 HG LEU 65 5.348 -1.182 -2.526 549 1HD1 LEU 65 HD11 LEU 65 6.942 0.786 -0.928 550 2HD1 LEU 65 HD12 LEU 65 7.504 -0.541 -1.946 551 3HD1 LEU 65 HD13 LEU 65 6.733 -0.883 -0.397 552 1HD2 LEU 65 HD21 LEU 65 4.444 -1.116 -0.219 553 2HD2 LEU 65 HD22 LEU 65 3.324 -0.494 -1.431 554 3HD2 LEU 65 HD23 LEU 65 4.215 0.624 -0.397 555 H LEU 66 HN LEU 66 5.273 2.460 -5.812 556 HA LEU 66 HA LEU 66 3.131 4.207 -5.331 557 1HB LEU 66 HB2 LEU 66 5.191 3.959 -7.480 558 2HB LEU 66 HB1 LEU 66 3.852 5.070 -7.707 559 HG LEU 66 HG LEU 66 5.329 5.268 -5.143 560 1HD1 LEU 66 HD11 LEU 66 6.549 5.731 -7.804 561 2HD1 LEU 66 HD12 LEU 66 7.293 5.236 -6.282 562 3HD1 LEU 66 HD13 LEU 66 6.851 6.924 -6.541 563 1HD2 LEU 66 HD21 LEU 66 4.925 7.657 -5.526 564 2HD2 LEU 66 HD22 LEU 66 3.436 6.714 -5.603 565 3HD2 LEU 66 HD23 LEU 66 4.201 7.275 -7.089 566 H LYS 67 HN LYS 67 3.401 1.367 -7.243 567 HA LYS 67 HA LYS 67 1.158 1.942 -8.959 568 1HB LYS 67 HB2 LYS 67 3.006 0.373 -9.590 569 2HB LYS 67 HB1 LYS 67 2.401 -0.742 -8.370 570 1HG LYS 67 HG2 LYS 67 0.337 -1.006 -9.530 571 2HG LYS 67 HG1 LYS 67 0.741 0.288 -10.658 572 1HD LYS 67 HD2 LYS 67 1.178 -1.684 -11.838 573 2HD LYS 67 HD1 LYS 67 2.750 -1.129 -11.266 574 1HE LYS 67 HE2 LYS 67 2.741 -2.711 -9.474 575 2HE LYS 67 HE1 LYS 67 1.075 -3.166 -9.828 576 1HZ LYS 67 HZ1 LYS 67 2.617 -4.808 -10.675 577 2HZ LYS 67 HZ2 LYS 67 3.420 -3.634 -11.591 578 3HZ LYS 67 HZ3 LYS 67 1.822 -4.047 -11.961 579 H ALA 68 HN ALA 68 1.818 0.181 -6.002 580 HA ALA 68 HA ALA 68 -0.803 -0.912 -5.716 581 1HB ALA 68 HB1 ALA 68 -0.057 -1.395 -3.379 582 2HB ALA 68 HB2 ALA 68 1.458 -0.566 -3.742 583 3HB ALA 68 HB3 ALA 68 1.014 -2.027 -4.627 584 H PHE 69 HN PHE 69 0.680 2.113 -5.008 585 HA PHE 69 HA PHE 69 -1.099 2.989 -2.976 586 1HB PHE 69 HB2 PHE 69 0.727 4.467 -4.875 587 2HB PHE 69 HB1 PHE 69 -0.221 5.270 -3.638 588 HD1 PHE 69 HD1 PHE 69 0.495 2.409 -1.993 589 HD2 PHE 69 HD2 PHE 69 2.532 5.786 -3.597 590 HE1 PHE 69 HE1 PHE 69 2.318 2.076 -0.382 591 HE2 PHE 69 HE2 PHE 69 4.356 5.457 -1.982 592 HZ PHE 69 HZ PHE 69 4.245 3.603 -0.361 593 H GLY 70 HN GLY 70 -1.024 3.327 -6.499 594 1HA GLY 70 HA2 GLY 70 -3.240 5.127 -6.607 595 2HA GLY 70 HA1 GLY 70 -2.511 4.300 -7.970 596 H ILE 71 HN ILE 71 -2.941 1.652 -7.339 597 HA ILE 71 HA ILE 71 -5.543 1.231 -8.206 598 HB ILE 71 HB ILE 71 -3.893 -0.698 -6.566 599 1HG1 ILE 71 HG12 ILE 71 -4.012 -0.707 -9.558 600 2HG1 ILE 71 HG11 ILE 71 -2.928 0.420 -8.748 601 1HG2 ILE 71 HG21 ILE 71 -5.993 -1.296 -8.642 602 2HG2 ILE 71 HG22 ILE 71 -6.325 -1.233 -6.912 603 3HG2 ILE 71 HG23 ILE 71 -5.199 -2.430 -7.549 604 1HD1 ILE 71 HD11 ILE 71 -2.906 -2.535 -8.225 605 2HD1 ILE 71 HD12 ILE 71 -1.695 -1.336 -7.765 606 3HD1 ILE 71 HD13 ILE 71 -1.917 -1.760 -9.464 607 H VAL 72 HN VAL 72 -4.255 1.475 -4.951 608 HA VAL 72 HA VAL 72 -6.651 0.643 -3.620 609 HB VAL 72 HB VAL 72 -4.388 2.335 -2.548 610 1HG1 VAL 72 HG11 VAL 72 -5.156 1.669 -0.350 611 2HG1 VAL 72 HG12 VAL 72 -6.451 0.716 -1.057 612 3HG1 VAL 72 HG13 VAL 72 -6.459 2.468 -1.224 613 1HG2 VAL 72 HG21 VAL 72 -3.897 -0.028 -3.485 614 2HG2 VAL 72 HG22 VAL 72 -4.701 -0.587 -2.023 615 3HG2 VAL 72 HG23 VAL 72 -3.267 0.423 -1.903 616 H ILE 73 HN ILE 73 -5.146 3.764 -4.315 617 HA ILE 73 HA ILE 73 -6.979 5.450 -3.107 618 HB ILE 73 HB ILE 73 -5.163 5.781 -5.475 619 1HG1 ILE 73 HG12 ILE 73 -5.236 7.209 -2.815 620 2HG1 ILE 73 HG11 ILE 73 -4.316 5.736 -3.105 621 1HG2 ILE 73 HG21 ILE 73 -5.804 8.308 -5.138 622 2HG2 ILE 73 HG22 ILE 73 -7.326 7.613 -4.580 623 3HG2 ILE 73 HG23 ILE 73 -6.746 7.267 -6.206 624 1HD1 ILE 73 HD11 ILE 73 -3.890 8.085 -4.881 625 2HD1 ILE 73 HD12 ILE 73 -2.776 6.798 -4.419 626 3HD1 ILE 73 HD13 ILE 73 -3.177 8.071 -3.268 627 H ASP 74 HN ASP 74 -6.930 4.430 -6.517 628 HA ASP 74 HA ASP 74 -9.202 5.694 -7.407 629 1HB ASP 74 HB2 ASP 74 -7.603 4.396 -8.824 630 2HB ASP 74 HB1 ASP 74 -8.323 2.910 -8.217 631 H TYR 75 HN TYR 75 -9.115 2.292 -6.200 632 HA TYR 75 HA TYR 75 -11.905 1.936 -6.235 633 1HB TYR 75 HB2 TYR 75 -9.619 0.640 -4.774 634 2HB TYR 75 HB1 TYR 75 -11.245 0.308 -4.198 635 HD1 TYR 75 HD1 TYR 75 -11.120 0.900 -7.720 636 HD2 TYR 75 HD2 TYR 75 -10.538 -2.096 -4.767 637 HE1 TYR 75 HE1 TYR 75 -11.385 -0.828 -9.436 638 HE2 TYR 75 HE2 TYR 75 -10.784 -3.842 -6.479 639 HH TYR 75 HH TYR 75 -10.730 -3.175 -9.804 640 H LYS 76 HN LYS 76 -9.751 3.195 -3.738 641 HA LYS 76 HA LYS 76 -11.599 3.578 -1.688 642 1HB LYS 76 HB2 LYS 76 -9.360 3.942 -1.095 643 2HB LYS 76 HB1 LYS 76 -9.044 4.920 -2.513 644 1HG LYS 76 HG2 LYS 76 -10.935 6.368 -1.076 645 2HG LYS 76 HG1 LYS 76 -9.828 5.720 0.138 646 1HD LYS 76 HD2 LYS 76 -8.247 6.595 -2.027 647 2HD LYS 76 HD1 LYS 76 -9.417 7.875 -1.699 648 1HE LYS 76 HE2 LYS 76 -7.585 6.588 0.325 649 2HE LYS 76 HE1 LYS 76 -7.356 8.174 -0.413 650 1HZ LYS 76 HZ1 LYS 76 -8.344 8.500 1.703 651 2HZ LYS 76 HZ2 LYS 76 -9.543 7.345 1.410 652 3HZ LYS 76 HZ3 LYS 76 -9.548 8.803 0.555 653 H GLU 77 HN GLU 77 -10.799 5.444 -4.519 654 HA GLU 77 HA GLU 77 -12.483 7.658 -3.975 655 1HB GLU 77 HB2 GLU 77 -10.961 6.690 -6.379 656 2HB GLU 77 HB1 GLU 77 -11.951 8.131 -6.434 657 1HG GLU 77 HG2 GLU 77 -10.553 8.766 -4.306 658 2HG GLU 77 HG1 GLU 77 -9.406 7.630 -5.002 659 H ARG 78 HN ARG 78 -12.897 4.569 -5.606 660 HA ARG 78 HA ARG 78 -15.495 5.469 -6.611 661 1HB ARG 78 HB2 ARG 78 -15.444 3.412 -7.963 662 2HB ARG 78 HB1 ARG 78 -14.137 4.512 -8.265 663 1HG ARG 78 HG2 ARG 78 -12.636 3.145 -7.041 664 2HG ARG 78 HG1 ARG 78 -13.947 2.020 -6.676 665 1HD ARG 78 HD2 ARG 78 -12.469 1.375 -8.610 666 2HD ARG 78 HD1 ARG 78 -14.191 1.432 -8.963 667 HE ARG 78 HE ARG 78 -12.918 3.903 -9.565 668 1HH1 ARG 78 HH11 ARG 78 -13.386 0.657 -10.745 669 2HH1 ARG 78 HH12 ARG 78 -13.161 1.092 -12.407 670 1HH2 ARG 78 HH21 ARG 78 -12.621 4.483 -11.749 671 2HH2 ARG 78 HH22 ARG 78 -12.725 3.265 -12.977 672 H ASP 79 HN ASP 79 -15.238 5.138 -3.996 673 HA ASP 79 HA ASP 79 -15.948 4.044 -2.108 674 1HB ASP 79 HB2 ASP 79 -18.337 3.843 -2.107 675 2HB ASP 79 HB1 ASP 79 -17.892 5.242 -3.066 676 H LEU 80 HN LEU 80 -14.485 2.206 -3.739 677 HA LEU 80 HA LEU 80 -16.020 -0.259 -3.613 678 1HB LEU 80 HB2 LEU 80 -13.759 0.672 -5.135 679 2HB LEU 80 HB1 LEU 80 -13.375 -0.847 -4.353 680 HG LEU 80 HG LEU 80 -15.806 -1.448 -5.360 681 1HD1 LEU 80 HD11 LEU 80 -15.937 -0.558 -7.633 682 2HD1 LEU 80 HD12 LEU 80 -14.549 0.483 -7.296 683 3HD1 LEU 80 HD13 LEU 80 -16.069 0.725 -6.427 684 1HD2 LEU 80 HD21 LEU 80 -13.683 -2.684 -5.625 685 2HD2 LEU 80 HD22 LEU 80 -13.241 -1.558 -6.909 686 3HD2 LEU 80 HD23 LEU 80 -14.637 -2.618 -7.110 687 H ILE 81 HN ILE 81 -13.585 1.454 -1.853 688 HA ILE 81 HA ILE 81 -12.929 -0.882 -0.222 689 HB ILE 81 HB ILE 81 -11.861 1.944 -0.095 690 1HG1 ILE 81 HG12 ILE 81 -10.572 -0.618 -1.063 691 2HG1 ILE 81 HG11 ILE 81 -11.196 0.653 -2.108 692 1HG2 ILE 81 HG21 ILE 81 -10.904 -0.513 1.377 693 2HG2 ILE 81 HG22 ILE 81 -11.859 0.781 2.103 694 3HG2 ILE 81 HG23 ILE 81 -10.236 1.115 1.494 695 1HD1 ILE 81 HD11 ILE 81 -8.938 0.949 -0.142 696 2HD1 ILE 81 HD12 ILE 81 -9.551 2.203 -1.217 697 3HD1 ILE 81 HD13 ILE 81 -8.778 0.768 -1.888 698 H ASP 82 HN ASP 82 -13.690 -1.217 1.778 699 HA ASP 82 HA ASP 82 -15.996 0.077 2.677 700 1HB ASP 82 HB2 ASP 82 -14.943 -2.240 3.318 701 2HB ASP 82 HB1 ASP 82 -14.155 -1.306 4.590 702 H ARG 83 HN ARG 83 -16.351 1.809 3.928 703 HA ARG 83 HA ARG 83 -14.322 3.688 4.374 704 1HB ARG 83 HB2 ARG 83 -17.148 3.439 5.347 705 2HB ARG 83 HB1 ARG 83 -16.108 4.723 5.948 706 1HG ARG 83 HG2 ARG 83 -16.718 4.230 3.039 707 2HG ARG 83 HG1 ARG 83 -17.530 5.424 4.057 708 1HD ARG 83 HD2 ARG 83 -15.517 6.657 4.356 709 2HD ARG 83 HD1 ARG 83 -14.548 5.375 3.633 710 HE ARG 83 HE ARG 83 -15.343 6.011 1.502 711 1HH1 ARG 83 HH11 ARG 83 -16.501 8.069 4.067 712 2HH1 ARG 83 HH12 ARG 83 -16.954 9.358 3.002 713 1HH2 ARG 83 HH21 ARG 83 -15.933 7.706 0.095 714 2HH2 ARG 83 HH22 ARG 83 -16.631 9.152 0.745 715 H SER 84 HN SER 84 -15.076 0.875 6.048 716 HA SER 84 HA SER 84 -14.415 1.638 8.693 717 1HB SER 84 HB2 SER 84 -14.276 -1.059 7.322 718 2HB SER 84 HB1 SER 84 -14.046 -0.813 9.052 719 HG SER 84 HG SER 84 -16.280 0.411 8.424 720 H ALA 85 HN ALA 85 -12.525 0.528 5.933 721 HA ALA 85 HA ALA 85 -10.081 0.083 7.241 722 1HB ALA 85 HB1 ALA 85 -9.061 0.560 4.989 723 2HB ALA 85 HB2 ALA 85 -10.684 0.944 4.413 724 3HB ALA 85 HB3 ALA 85 -10.314 -0.675 4.998 725 H TYR 86 HN TYR 86 -11.493 2.956 5.792 726 HA TYR 86 HA TYR 86 -9.487 4.794 5.884 727 1HB TYR 86 HB2 TYR 86 -12.393 5.137 6.617 728 2HB TYR 86 HB1 TYR 86 -11.283 6.491 6.507 729 HD1 TYR 86 HD1 TYR 86 -12.015 3.497 4.410 730 HD2 TYR 86 HD2 TYR 86 -11.543 7.713 4.577 731 HE1 TYR 86 HE1 TYR 86 -12.449 3.627 1.995 732 HE2 TYR 86 HE2 TYR 86 -11.976 7.866 2.161 733 HH TYR 86 HH TYR 86 -13.233 5.275 0.354 Start of MODEL 12 1 1H SER 1 HT1 SER 1 8.356 -13.739 -7.290 2 2H SER 1 HT2 SER 1 7.444 -13.224 -8.618 3 3H SER 1 HT3 SER 1 8.115 -14.776 -8.604 4 HA SER 1 HA SER 1 5.758 -14.866 -8.153 5 1HB SER 1 HB2 SER 1 7.208 -16.557 -7.131 6 2HB SER 1 HB1 SER 1 7.493 -15.498 -5.751 7 HG SER 1 HG SER 1 5.119 -15.575 -5.494 8 H ASN 2 HN ASN 2 3.971 -14.255 -6.922 9 HA ASN 2 HA ASN 2 2.637 -12.783 -5.813 10 1HB ASN 2 HB2 ASN 2 5.071 -12.677 -4.024 11 2HB ASN 2 HB1 ASN 2 3.521 -11.947 -3.616 12 1HD2 ASN 2 HD21 ASN 2 1.754 -13.275 -3.177 13 2HD2 ASN 2 HD22 ASN 2 1.947 -14.944 -2.776 14 H SER 3 HN SER 3 3.350 -10.430 -4.352 15 HA SER 3 HA SER 3 3.444 -8.194 -4.775 16 1HB SER 3 HB2 SER 3 5.596 -7.436 -5.839 17 2HB SER 3 HB1 SER 3 5.806 -8.537 -4.477 18 HG SER 3 HG SER 3 7.113 -9.308 -6.055 19 H SER 4 HN SER 4 1.571 -9.111 -6.336 20 HA SER 4 HA SER 4 2.119 -8.042 -9.024 21 1HB SER 4 HB2 SER 4 -0.023 -10.006 -8.180 22 2HB SER 4 HB1 SER 4 0.254 -9.426 -9.822 23 HG SER 4 HG SER 4 2.517 -10.424 -8.694 24 H MET 5 HN MET 5 1.084 -6.881 -6.316 25 HA MET 5 HA MET 5 -0.337 -5.249 -5.635 26 1HB MET 5 HB2 MET 5 -0.181 -4.781 -8.583 27 2HB MET 5 HB1 MET 5 -1.302 -3.834 -7.615 28 1HG MET 5 HG2 MET 5 0.776 -2.644 -7.890 29 2HG MET 5 HG1 MET 5 0.551 -3.095 -6.200 30 1HE MET 5 HE1 MET 5 4.271 -3.422 -6.091 31 2HE MET 5 HE2 MET 5 2.826 -2.468 -5.746 32 3HE MET 5 HE3 MET 5 3.649 -2.295 -7.296 33 H ASN 6 HN ASN 6 -1.586 -7.433 -5.258 34 HA ASN 6 HA ASN 6 -3.835 -8.134 -6.724 35 1HB ASN 6 HB2 ASN 6 -3.283 -8.317 -3.759 36 2HB ASN 6 HB1 ASN 6 -4.694 -9.038 -4.524 37 1HD2 ASN 6 HD21 ASN 6 -4.466 -10.827 -5.806 38 2HD2 ASN 6 HD22 ASN 6 -3.009 -11.754 -5.872 39 HA PRO 7 HA PRO 7 -6.118 -4.257 -5.993 40 1HB PRO 7 HB2 PRO 7 -8.103 -5.527 -7.759 41 2HB PRO 7 HB1 PRO 7 -7.262 -3.985 -7.938 42 1HG PRO 7 HG2 PRO 7 -6.696 -6.103 -9.498 43 2HG PRO 7 HG1 PRO 7 -5.458 -4.933 -9.005 44 1HD PRO 7 HD2 PRO 7 -6.010 -7.674 -7.941 45 2HD PRO 7 HD1 PRO 7 -4.454 -6.863 -8.227 46 H LYS 8 HN LYS 8 -6.883 -7.512 -5.410 47 HA LYS 8 HA LYS 8 -9.439 -7.084 -4.198 48 1HB LYS 8 HB2 LYS 8 -8.821 -9.474 -3.280 49 2HB LYS 8 HB1 LYS 8 -9.223 -9.237 -4.964 50 1HG LYS 8 HG2 LYS 8 -6.434 -8.851 -4.651 51 2HG LYS 8 HG1 LYS 8 -6.901 -10.377 -3.901 52 1HD LYS 8 HD2 LYS 8 -6.283 -10.605 -6.291 53 2HD LYS 8 HD1 LYS 8 -7.929 -11.132 -5.952 54 1HE LYS 8 HE2 LYS 8 -7.359 -8.352 -6.881 55 2HE LYS 8 HE1 LYS 8 -7.421 -9.674 -8.039 56 1HZ LYS 8 HZ1 LYS 8 -9.592 -8.610 -6.343 57 2HZ LYS 8 HZ2 LYS 8 -9.677 -10.177 -6.975 58 3HZ LYS 8 HZ3 LYS 8 -9.574 -8.850 -8.018 59 H SER 9 HN SER 9 -6.326 -8.150 -2.927 60 HA SER 9 HA SER 9 -7.012 -7.650 -0.225 61 1HB SER 9 HB2 SER 9 -4.365 -8.172 -1.576 62 2HB SER 9 HB1 SER 9 -4.531 -7.996 0.169 63 HG SER 9 HG SER 9 -5.272 -10.081 -1.484 64 H LEU 10 HN LEU 10 -5.203 -5.766 -2.607 65 HA LEU 10 HA LEU 10 -4.250 -3.805 -0.839 66 1HB LEU 10 HB2 LEU 10 -4.958 -3.516 -3.760 67 2HB LEU 10 HB1 LEU 10 -4.039 -2.355 -2.828 68 HG LEU 10 HG LEU 10 -3.184 -5.141 -3.602 69 1HD1 LEU 10 HD11 LEU 10 -2.127 -2.400 -4.260 70 2HD1 LEU 10 HD12 LEU 10 -2.904 -3.534 -5.364 71 3HD1 LEU 10 HD13 LEU 10 -1.325 -3.913 -4.678 72 1HD2 LEU 10 HD21 LEU 10 -2.459 -3.674 -1.281 73 2HD2 LEU 10 HD22 LEU 10 -1.080 -3.702 -2.378 74 3HD2 LEU 10 HD23 LEU 10 -1.824 -5.213 -1.856 75 H THR 11 HN THR 11 -7.416 -4.501 -1.786 76 HA THR 11 HA THR 11 -8.244 -1.794 -0.929 77 HB THR 11 HB THR 11 -10.066 -1.796 -2.433 78 HG1 THR 11 HG1 THR 11 -10.718 -3.972 -2.193 79 1HG2 THR 11 HG21 THR 11 -7.791 -1.418 -3.461 80 2HG2 THR 11 HG22 THR 11 -9.035 -1.959 -4.585 81 3HG2 THR 11 HG23 THR 11 -7.834 -3.099 -3.990 82 H ASP 12 HN ASP 12 -7.844 -4.429 0.493 83 HA ASP 12 HA ASP 12 -10.555 -4.747 1.578 84 1HB ASP 12 HB2 ASP 12 -9.633 -6.830 0.673 85 2HB ASP 12 HB1 ASP 12 -8.200 -6.647 1.679 86 HA PRO 13 HA PRO 13 -8.950 -2.169 4.881 87 1HB PRO 13 HB2 PRO 13 -11.218 -3.613 6.221 88 2HB PRO 13 HB1 PRO 13 -10.751 -1.909 6.337 89 1HG PRO 13 HG2 PRO 13 -12.753 -2.608 4.767 90 2HG PRO 13 HG1 PRO 13 -11.566 -1.401 4.215 91 1HD PRO 13 HD2 PRO 13 -11.886 -4.268 3.420 92 2HD PRO 13 HD1 PRO 13 -11.344 -2.884 2.455 93 H LYS 14 HN LYS 14 -9.337 -5.634 4.942 94 HA LYS 14 HA LYS 14 -8.316 -6.153 7.518 95 1HB LYS 14 HB2 LYS 14 -9.337 -7.750 5.653 96 2HB LYS 14 HB1 LYS 14 -7.642 -7.987 5.259 97 1HG LYS 14 HG2 LYS 14 -8.934 -8.498 7.933 98 2HG LYS 14 HG1 LYS 14 -8.434 -9.718 6.762 99 1HD LYS 14 HD2 LYS 14 -6.597 -7.777 8.172 100 2HD LYS 14 HD1 LYS 14 -6.810 -9.479 8.589 101 1HE LYS 14 HE2 LYS 14 -5.767 -8.407 5.972 102 2HE LYS 14 HE1 LYS 14 -4.797 -9.136 7.252 103 1HZ LYS 14 HZ1 LYS 14 -5.982 -11.210 6.928 104 2HZ LYS 14 HZ2 LYS 14 -5.275 -10.710 5.476 105 3HZ LYS 14 HZ3 LYS 14 -6.937 -10.513 5.719 106 H LEU 15 HN LEU 15 -6.692 -6.105 4.362 107 HA LEU 15 HA LEU 15 -4.065 -6.238 5.449 108 1HB LEU 15 HB2 LEU 15 -5.099 -5.440 2.732 109 2HB LEU 15 HB1 LEU 15 -3.406 -5.548 3.116 110 HG LEU 15 HG LEU 15 -4.041 -7.527 1.940 111 1HD1 LEU 15 HD11 LEU 15 -3.941 -9.001 4.335 112 2HD1 LEU 15 HD12 LEU 15 -3.030 -7.511 4.600 113 3HD1 LEU 15 HD13 LEU 15 -2.608 -8.579 3.258 114 1HD2 LEU 15 HD21 LEU 15 -5.781 -9.020 2.674 115 2HD2 LEU 15 HD22 LEU 15 -6.459 -7.406 2.463 116 3HD2 LEU 15 HD23 LEU 15 -6.108 -8.011 4.082 117 H LEU 16 HN LEU 16 -6.070 -3.691 4.090 118 HA LEU 16 HA LEU 16 -4.329 -1.579 4.095 119 1HB LEU 16 HB2 LEU 16 -7.248 -1.460 4.854 120 2HB LEU 16 HB1 LEU 16 -6.290 -0.166 4.168 121 HG LEU 16 HG LEU 16 -6.803 -2.744 2.711 122 1HD1 LEU 16 HD11 LEU 16 -8.759 -2.004 1.892 123 2HD1 LEU 16 HD12 LEU 16 -8.233 -0.326 1.859 124 3HD1 LEU 16 HD13 LEU 16 -8.797 -1.041 3.367 125 1HD2 LEU 16 HD21 LEU 16 -5.074 -0.571 2.263 126 2HD2 LEU 16 HD22 LEU 16 -6.377 -0.437 1.083 127 3HD2 LEU 16 HD23 LEU 16 -5.429 -1.919 1.184 128 H LYS 17 HN LYS 17 -6.452 -2.556 6.795 129 HA LYS 17 HA LYS 17 -5.425 -0.598 8.580 130 1HB LYS 17 HB2 LYS 17 -6.949 -3.155 9.102 131 2HB LYS 17 HB1 LYS 17 -6.574 -1.963 10.336 132 1HG LYS 17 HG2 LYS 17 -7.915 -0.318 9.239 133 2HG LYS 17 HG1 LYS 17 -8.159 -1.377 7.850 134 1HD LYS 17 HD2 LYS 17 -9.407 -2.939 9.210 135 2HD LYS 17 HD1 LYS 17 -9.085 -1.978 10.657 136 1HE LYS 17 HE2 LYS 17 -10.311 -0.105 9.661 137 2HE LYS 17 HE1 LYS 17 -10.663 -1.090 8.245 138 1HZ LYS 17 HZ1 LYS 17 -12.521 -1.060 9.787 139 2HZ LYS 17 HZ2 LYS 17 -11.543 -1.678 11.021 140 3HZ LYS 17 HZ3 LYS 17 -11.883 -2.622 9.660 141 H ASN 18 HN ASN 18 -4.374 -3.686 7.545 142 HA ASN 18 HA ASN 18 -2.288 -3.744 9.629 143 1HB ASN 18 HB2 ASN 18 -4.001 -5.747 9.233 144 2HB ASN 18 HB1 ASN 18 -2.906 -6.122 7.913 145 1HD2 ASN 18 HD21 ASN 18 -2.528 -8.098 9.075 146 2HD2 ASN 18 HD22 ASN 18 -1.370 -8.123 10.356 147 H ILE 19 HN ILE 19 -1.489 -2.011 8.018 148 HA ILE 19 HA ILE 19 -0.713 -2.309 5.476 149 HB ILE 19 HB ILE 19 0.855 -1.055 7.709 150 1HG1 ILE 19 HG12 ILE 19 -1.274 0.019 7.119 151 2HG1 ILE 19 HG11 ILE 19 0.085 1.027 6.656 152 1HG2 ILE 19 HG21 ILE 19 1.456 -0.677 4.785 153 2HG2 ILE 19 HG22 ILE 19 2.316 -1.839 5.788 154 3HG2 ILE 19 HG23 ILE 19 2.389 -0.123 6.174 155 1HD1 ILE 19 HD11 ILE 19 -1.377 1.179 4.863 156 2HD1 ILE 19 HD12 ILE 19 -1.745 -0.542 4.880 157 3HD1 ILE 19 HD13 ILE 19 -0.167 0.018 4.328 158 HA PRO 20 HA PRO 20 3.431 -4.741 6.810 159 1HB PRO 20 HB2 PRO 20 1.912 -6.304 8.875 160 2HB PRO 20 HB1 PRO 20 3.644 -5.930 8.804 161 1HG PRO 20 HG2 PRO 20 2.062 -4.570 10.433 162 2HG PRO 20 HG1 PRO 20 3.330 -3.736 9.520 163 1HD PRO 20 HD2 PRO 20 0.384 -3.748 9.094 164 2HD PRO 20 HD1 PRO 20 1.567 -2.464 8.776 165 H MET 21 HN MET 21 0.254 -6.141 7.423 166 HA MET 21 HA MET 21 0.591 -8.532 5.959 167 1HB MET 21 HB2 MET 21 -1.160 -7.698 7.762 168 2HB MET 21 HB1 MET 21 -2.083 -7.243 6.339 169 1HG MET 21 HG2 MET 21 -2.906 -9.291 6.435 170 2HG MET 21 HG1 MET 21 -1.363 -9.811 5.755 171 1HE MET 21 HE1 MET 21 0.285 -8.977 8.822 172 2HE MET 21 HE2 MET 21 0.746 -10.013 7.475 173 3HE MET 21 HE3 MET 21 0.591 -10.693 9.093 174 H TRP 22 HN TRP 22 -0.908 -5.416 5.213 175 HA TRP 22 HA TRP 22 -1.838 -5.840 2.663 176 1HB TRP 22 HB2 TRP 22 -2.160 -3.803 4.039 177 2HB TRP 22 HB1 TRP 22 -0.493 -3.350 3.749 178 HD1 TRP 22 HD1 TRP 22 -3.828 -3.747 1.854 179 HE1 TRP 22 HE1 TRP 22 -3.757 -2.211 -0.207 180 HE3 TRP 22 HE3 TRP 22 1.012 -2.121 2.227 181 HZ2 TRP 22 HZ2 TRP 22 -1.904 -0.545 -1.517 182 HZ3 TRP 22 HZ3 TRP 22 1.856 -0.561 0.508 183 HH2 TRP 22 HH2 TRP 22 0.428 0.213 -1.314 184 H LEU 23 HN LEU 23 1.394 -5.199 3.802 185 HA LEU 23 HA LEU 23 2.580 -4.927 1.216 186 1HB LEU 23 HB2 LEU 23 3.702 -5.327 3.982 187 2HB LEU 23 HB1 LEU 23 4.699 -5.148 2.558 188 HG LEU 23 HG LEU 23 2.733 -3.077 3.516 189 1HD1 LEU 23 HD11 LEU 23 4.975 -1.871 4.004 190 2HD1 LEU 23 HD12 LEU 23 5.636 -3.506 4.077 191 3HD1 LEU 23 HD13 LEU 23 4.335 -3.029 5.168 192 1HD2 LEU 23 HD21 LEU 23 3.723 -1.629 1.909 193 2HD2 LEU 23 HD22 LEU 23 3.296 -3.122 1.072 194 3HD2 LEU 23 HD23 LEU 23 4.972 -2.811 1.524 195 H LYS 24 HN LYS 24 1.833 -7.554 3.375 196 HA LYS 24 HA LYS 24 3.681 -9.449 2.484 197 1HB LYS 24 HB2 LYS 24 1.329 -9.333 4.129 198 2HB LYS 24 HB1 LYS 24 1.308 -10.773 3.132 199 1HG LYS 24 HG2 LYS 24 3.915 -10.492 4.195 200 2HG LYS 24 HG1 LYS 24 2.759 -10.276 5.509 201 1HD LYS 24 HD2 LYS 24 2.850 -12.601 3.591 202 2HD LYS 24 HD1 LYS 24 3.368 -12.617 5.278 203 1HE LYS 24 HE2 LYS 24 0.605 -11.749 4.578 204 2HE LYS 24 HE1 LYS 24 0.987 -13.475 4.632 205 1HZ LYS 24 HZ1 LYS 24 0.125 -12.673 6.750 206 2HZ LYS 24 HZ2 LYS 24 1.380 -11.546 6.860 207 3HZ LYS 24 HZ3 LYS 24 1.723 -13.201 6.917 208 H SER 25 HN SER 25 0.544 -8.424 1.264 209 HA SER 25 HA SER 25 0.388 -10.465 -0.743 210 1HB SER 25 HB2 SER 25 -1.137 -7.855 -0.445 211 2HB SER 25 HB1 SER 25 -1.507 -9.110 -1.629 212 HG SER 25 HG SER 25 -1.414 -10.374 0.620 213 H LEU 26 HN LEU 26 2.228 -7.732 -0.356 214 HA LEU 26 HA LEU 26 2.652 -7.406 -3.255 215 1HB LEU 26 HB2 LEU 26 3.344 -5.454 -1.057 216 2HB LEU 26 HB1 LEU 26 3.488 -5.180 -2.783 217 HG LEU 26 HG LEU 26 0.879 -5.594 -1.324 218 1HD1 LEU 26 HD11 LEU 26 0.558 -3.167 -1.783 219 2HD1 LEU 26 HD12 LEU 26 2.252 -3.083 -2.268 220 3HD1 LEU 26 HD13 LEU 26 1.828 -3.517 -0.612 221 1HD2 LEU 26 HD21 LEU 26 0.332 -4.342 -3.680 222 2HD2 LEU 26 HD22 LEU 26 0.181 -6.076 -3.395 223 3HD2 LEU 26 HD23 LEU 26 1.642 -5.429 -4.146 224 H ARG 27 HN ARG 27 3.882 -8.792 -0.546 225 HA ARG 27 HA ARG 27 5.836 -9.828 -0.069 226 1HB ARG 27 HB2 ARG 27 6.365 -9.000 -2.882 227 2HB ARG 27 HB1 ARG 27 7.726 -9.518 -1.898 228 1HG ARG 27 HG2 ARG 27 5.231 -11.150 -2.294 229 2HG ARG 27 HG1 ARG 27 6.687 -11.311 -3.278 230 1HD ARG 27 HD2 ARG 27 6.616 -11.616 -0.280 231 2HD ARG 27 HD1 ARG 27 6.526 -12.963 -1.417 232 HE ARG 27 HE ARG 27 8.812 -11.253 -1.794 233 1HH1 ARG 27 HH11 ARG 27 7.543 -14.023 -0.102 234 2HH1 ARG 27 HH12 ARG 27 9.102 -14.717 0.191 235 1HH2 ARG 27 HH21 ARG 27 10.866 -12.161 -1.414 236 2HH2 ARG 27 HH22 ARG 27 10.990 -13.660 -0.555 237 H LEU 28 HN LEU 28 5.387 -6.593 -0.227 238 HA LEU 28 HA LEU 28 8.111 -5.820 0.445 239 1HB LEU 28 HB2 LEU 28 5.527 -4.292 0.191 240 2HB LEU 28 HB1 LEU 28 6.932 -3.568 0.922 241 HG LEU 28 HG LEU 28 6.796 -2.841 -1.329 242 1HD1 LEU 28 HD11 LEU 28 9.006 -4.327 -0.321 243 2HD1 LEU 28 HD12 LEU 28 8.987 -2.901 -1.360 244 3HD1 LEU 28 HD13 LEU 28 8.917 -4.513 -2.073 245 1HD2 LEU 28 HD21 LEU 28 6.797 -4.349 -3.214 246 2HD2 LEU 28 HD22 LEU 28 5.408 -4.629 -2.166 247 3HD2 LEU 28 HD23 LEU 28 6.777 -5.736 -2.122 248 H HIS 29 HN HIS 29 6.278 -7.645 2.165 249 HA HIS 29 HA HIS 29 5.760 -6.274 4.569 250 1HB HIS 29 HB2 HIS 29 5.943 -8.502 5.671 251 2HB HIS 29 HB1 HIS 29 4.886 -8.521 4.262 252 HD1 HIS 29 HD1 HIS 29 5.517 -10.048 2.344 253 HD2 HIS 29 HD2 HIS 29 8.443 -9.844 5.288 254 HE1 HIS 29 HE1 HIS 29 7.165 -11.861 1.780 255 HE2 HIS 29 HE2 HIS 29 8.971 -11.662 3.526 256 H LYS 30 HN LYS 30 8.528 -7.009 2.921 257 HA LYS 30 HA LYS 30 10.516 -7.344 4.840 258 1HB LYS 30 HB2 LYS 30 11.913 -6.160 3.002 259 2HB LYS 30 HB1 LYS 30 11.141 -7.675 2.588 260 1HG LYS 30 HG2 LYS 30 9.409 -6.510 1.424 261 2HG LYS 30 HG1 LYS 30 10.019 -4.953 1.986 262 1HD LYS 30 HD2 LYS 30 10.931 -5.042 -0.107 263 2HD LYS 30 HD1 LYS 30 12.230 -5.782 0.810 264 1HE LYS 30 HE2 LYS 30 10.998 -7.942 0.270 265 2HE LYS 30 HE1 LYS 30 10.183 -7.011 -0.963 266 1HZ LYS 30 HZ1 LYS 30 12.337 -6.460 -1.914 267 2HZ LYS 30 HZ2 LYS 30 12.122 -8.137 -1.859 268 3HZ LYS 30 HZ3 LYS 30 13.120 -7.377 -0.726 269 H TYR 31 HN TYR 31 8.870 -4.564 3.572 270 HA TYR 31 HA TYR 31 10.266 -2.751 5.408 271 1HB TYR 31 HB2 TYR 31 8.573 -2.163 2.975 272 2HB TYR 31 HB1 TYR 31 9.414 -0.970 3.954 273 HD1 TYR 31 HD1 TYR 31 9.570 -2.664 0.973 274 HD2 TYR 31 HD2 TYR 31 12.044 -1.678 4.295 275 HE1 TYR 31 HE1 TYR 31 11.572 -2.945 -0.433 276 HE2 TYR 31 HE2 TYR 31 14.048 -1.956 2.897 277 HH TYR 31 HH TYR 31 14.702 -3.146 0.833 278 H SER 32 HN SER 32 8.086 -4.660 6.064 279 HA SER 32 HA SER 32 5.640 -3.320 6.360 280 1HB SER 32 HB2 SER 32 5.088 -5.063 8.005 281 2HB SER 32 HB1 SER 32 5.851 -5.764 6.579 282 HG SER 32 HG SER 32 6.656 -5.841 9.147 283 H ASP 33 HN ASP 33 8.374 -3.713 8.562 284 HA ASP 33 HA ASP 33 7.271 -2.330 10.741 285 1HB ASP 33 HB2 ASP 33 9.430 -3.757 10.579 286 2HB ASP 33 HB1 ASP 33 10.206 -2.252 10.106 287 H ALA 34 HN ALA 34 8.989 -1.218 7.898 288 HA ALA 34 HA ALA 34 9.276 1.489 8.807 289 1HB ALA 34 HB1 ALA 34 10.342 1.920 6.788 290 2HB ALA 34 HB2 ALA 34 9.497 0.616 5.959 291 3HB ALA 34 HB3 ALA 34 10.754 0.242 7.141 292 H LEU 35 HN LEU 35 6.890 -0.259 6.962 293 HA LEU 35 HA LEU 35 5.568 2.260 6.255 294 1HB LEU 35 HB2 LEU 35 5.461 -0.524 5.195 295 2HB LEU 35 HB1 LEU 35 4.082 0.527 4.956 296 HG LEU 35 HG LEU 35 5.068 1.619 3.280 297 1HD1 LEU 35 HD11 LEU 35 7.327 2.511 3.282 298 2HD1 LEU 35 HD12 LEU 35 7.698 1.635 4.764 299 3HD1 LEU 35 HD13 LEU 35 6.488 2.916 4.776 300 1HD2 LEU 35 HD21 LEU 35 5.567 -0.588 2.561 301 2HD2 LEU 35 HD22 LEU 35 7.001 -0.676 3.589 302 3HD2 LEU 35 HD23 LEU 35 6.975 0.405 2.191 303 H SER 36 HN SER 36 5.372 -0.221 8.550 304 HA SER 36 HA SER 36 2.582 -0.463 8.850 305 1HB SER 36 HB2 SER 36 4.118 -2.064 9.887 306 2HB SER 36 HB1 SER 36 4.764 -0.797 10.929 307 HG SER 36 HG SER 36 3.180 -1.176 12.236 308 H GLY 37 HN GLY 37 4.953 1.704 10.352 309 1HA GLY 37 HA2 GLY 37 3.273 2.975 12.183 310 2HA GLY 37 HA1 GLY 37 4.690 3.707 11.445 311 H THR 38 HN THR 38 3.169 3.045 8.796 312 HA THR 38 HA THR 38 1.520 5.477 8.839 313 HB THR 38 HB THR 38 2.949 4.303 6.438 314 HG1 THR 38 HG1 THR 38 4.404 5.157 8.045 315 1HG2 THR 38 HG21 THR 38 0.822 5.853 6.300 316 2HG2 THR 38 HG22 THR 38 2.205 6.120 5.233 317 3HG2 THR 38 HG23 THR 38 1.991 7.124 6.668 318 HA PRO 39 HA PRO 39 -1.865 2.665 7.941 319 1HB PRO 39 HB2 PRO 39 -3.714 4.526 7.280 320 2HB PRO 39 HB1 PRO 39 -3.224 4.232 8.953 321 1HG PRO 39 HG2 PRO 39 -2.221 6.307 7.041 322 2HG PRO 39 HG1 PRO 39 -2.788 6.534 8.705 323 1HD PRO 39 HD2 PRO 39 -0.185 6.397 8.184 324 2HD PRO 39 HD1 PRO 39 -0.855 5.567 9.610 325 H TRP 40 HN TRP 40 -3.580 2.528 6.068 326 HA TRP 40 HA TRP 40 -2.092 2.419 3.636 327 1HB TRP 40 HB2 TRP 40 -4.081 1.536 2.601 328 2HB TRP 40 HB1 TRP 40 -3.879 0.781 4.171 329 HD1 TRP 40 HD1 TRP 40 -5.619 1.605 6.135 330 HE1 TRP 40 HE1 TRP 40 -8.042 2.451 5.928 331 HE3 TRP 40 HE3 TRP 40 -5.650 2.854 1.165 332 HZ2 TRP 40 HZ2 TRP 40 -9.728 3.526 3.954 333 HZ3 TRP 40 HZ3 TRP 40 -7.710 3.800 0.212 334 HH2 TRP 40 HH2 TRP 40 -9.703 4.124 1.575 335 H ILE 41 HN ILE 41 -4.808 4.401 4.778 336 HA ILE 41 HA ILE 41 -5.289 5.897 2.526 337 HB ILE 41 HB ILE 41 -6.484 5.997 4.787 338 1HG1 ILE 41 HG12 ILE 41 -6.488 8.764 4.226 339 2HG1 ILE 41 HG11 ILE 41 -6.166 7.949 2.693 340 1HG2 ILE 41 HG21 ILE 41 -4.630 8.283 5.361 341 2HG2 ILE 41 HG22 ILE 41 -4.296 6.659 5.959 342 3HG2 ILE 41 HG23 ILE 41 -5.778 7.488 6.440 343 1HD1 ILE 41 HD11 ILE 41 -8.489 7.421 4.531 344 2HD1 ILE 41 HD12 ILE 41 -8.161 6.576 3.016 345 3HD1 ILE 41 HD13 ILE 41 -8.537 8.302 3.003 346 H GLU 42 HN GLU 42 -2.570 6.033 4.684 347 HA GLU 42 HA GLU 42 -1.618 8.511 3.444 348 1HB GLU 42 HB2 GLU 42 -0.697 6.943 5.849 349 2HB GLU 42 HB1 GLU 42 0.251 8.257 5.165 350 1HG GLU 42 HG2 GLU 42 -1.721 9.750 5.501 351 2HG GLU 42 HG1 GLU 42 -2.503 8.425 6.362 352 H LEU 43 HN LEU 43 -0.909 5.113 3.810 353 HA LEU 43 HA LEU 43 1.593 4.954 2.598 354 1HB LEU 43 HB2 LEU 43 -0.459 3.188 3.429 355 2HB LEU 43 HB1 LEU 43 -0.017 2.734 1.800 356 HG LEU 43 HG LEU 43 1.233 1.427 3.426 357 1HD1 LEU 43 HD11 LEU 43 3.523 1.966 2.655 358 2HD1 LEU 43 HD12 LEU 43 2.887 3.444 1.936 359 3HD1 LEU 43 HD13 LEU 43 2.340 1.873 1.352 360 1HD2 LEU 43 HD21 LEU 43 2.219 2.257 5.248 361 2HD2 LEU 43 HD22 LEU 43 1.252 3.699 4.943 362 3HD2 LEU 43 HD23 LEU 43 2.914 3.616 4.366 363 H ILE 44 HN ILE 44 -1.565 4.283 1.177 364 HA ILE 44 HA ILE 44 -0.840 4.187 -1.486 365 HB ILE 44 HB ILE 44 -3.178 4.429 -2.005 366 1HG1 ILE 44 HG12 ILE 44 -3.762 5.140 0.863 367 2HG1 ILE 44 HG11 ILE 44 -3.463 6.390 -0.328 368 1HG2 ILE 44 HG21 ILE 44 -4.107 2.826 -0.217 369 2HG2 ILE 44 HG22 ILE 44 -2.484 2.883 0.466 370 3HG2 ILE 44 HG23 ILE 44 -2.729 2.300 -1.182 371 1HD1 ILE 44 HD11 ILE 44 -5.887 5.498 0.268 372 2HD1 ILE 44 HD12 ILE 44 -5.481 4.339 -0.999 373 3HD1 ILE 44 HD13 ILE 44 -5.458 6.069 -1.342 374 H TYR 45 HN TYR 45 -0.696 6.844 0.524 375 HA TYR 45 HA TYR 45 -1.045 8.728 -1.710 376 1HB TYR 45 HB2 TYR 45 -1.462 8.950 1.226 377 2HB TYR 45 HB1 TYR 45 -0.898 10.383 0.378 378 HD1 TYR 45 HD1 TYR 45 -3.163 7.947 -1.239 379 HD2 TYR 45 HD2 TYR 45 -2.882 11.651 0.850 380 HE1 TYR 45 HE1 TYR 45 -5.489 8.474 -1.861 381 HE2 TYR 45 HE2 TYR 45 -5.196 12.185 0.223 382 HH TYR 45 HH TYR 45 -6.827 11.572 -1.504 383 H LEU 46 HN LEU 46 1.308 7.226 0.233 384 HA LEU 46 HA LEU 46 3.269 9.232 0.418 385 1HB LEU 46 HB2 LEU 46 3.737 6.272 0.080 386 2HB LEU 46 HB1 LEU 46 4.879 7.433 0.697 387 HG LEU 46 HG LEU 46 2.377 6.470 2.058 388 1HD1 LEU 46 HD11 LEU 46 4.066 5.785 3.780 389 2HD1 LEU 46 HD12 LEU 46 5.327 6.191 2.609 390 3HD1 LEU 46 HD13 LEU 46 4.163 4.908 2.253 391 1HD2 LEU 46 HD21 LEU 46 3.675 8.994 2.323 392 2HD2 LEU 46 HD22 LEU 46 3.976 8.041 3.778 393 3HD2 LEU 46 HD23 LEU 46 2.320 8.345 3.249 394 H ASP 47 HN ASP 47 5.531 8.215 -0.711 395 HA ASP 47 HA ASP 47 5.123 7.887 -3.566 396 1HB ASP 47 HB2 ASP 47 6.681 10.234 -2.453 397 2HB ASP 47 HB1 ASP 47 6.587 9.783 -4.152 398 H ASP 48 HN ASP 48 7.353 7.658 -4.651 399 HA ASP 48 HA ASP 48 8.753 5.561 -3.619 400 1HB ASP 48 HB2 ASP 48 10.621 6.426 -5.125 401 2HB ASP 48 HB1 ASP 48 9.084 6.096 -5.894 402 H GLU 49 HN GLU 49 9.670 8.985 -3.487 403 HA GLU 49 HA GLU 49 11.965 8.792 -1.971 404 1HB GLU 49 HB2 GLU 49 11.264 10.900 -2.948 405 2HB GLU 49 HB1 GLU 49 9.866 10.959 -1.886 406 1HG GLU 49 HG2 GLU 49 11.387 11.110 0.063 407 2HG GLU 49 HG1 GLU 49 12.754 11.139 -1.055 408 H THR 50 HN THR 50 8.696 9.470 -0.677 409 HA THR 50 HA THR 50 9.267 9.451 2.002 410 HB THR 50 HB THR 50 6.786 8.228 0.782 411 HG1 THR 50 HG1 THR 50 6.086 10.543 1.347 412 1HG2 THR 50 HG21 THR 50 7.130 7.819 3.206 413 2HG2 THR 50 HG22 THR 50 5.721 8.830 2.868 414 3HG2 THR 50 HG23 THR 50 7.210 9.566 3.455 415 H LEU 51 HN LEU 51 8.360 6.651 0.015 416 HA LEU 51 HA LEU 51 8.411 4.657 1.920 417 1HB LEU 51 HB2 LEU 51 9.128 4.702 -0.995 418 2HB LEU 51 HB1 LEU 51 9.233 3.220 -0.069 419 HG LEU 51 HG LEU 51 6.705 4.846 -0.238 420 1HD1 LEU 51 HD11 LEU 51 5.945 3.336 -1.963 421 2HD1 LEU 51 HD12 LEU 51 7.484 2.477 -1.928 422 3HD1 LEU 51 HD13 LEU 51 7.419 4.148 -2.489 423 1HD2 LEU 51 HD21 LEU 51 6.869 3.287 1.635 424 2HD2 LEU 51 HD22 LEU 51 7.244 1.976 0.517 425 3HD2 LEU 51 HD23 LEU 51 5.664 2.751 0.467 426 H GLU 52 HN GLU 52 11.116 6.122 0.177 427 HA GLU 52 HA GLU 52 13.125 4.396 1.199 428 1HB GLU 52 HB2 GLU 52 13.143 6.182 -0.756 429 2HB GLU 52 HB1 GLU 52 13.709 7.252 0.525 430 1HG GLU 52 HG2 GLU 52 15.576 5.746 0.966 431 2HG GLU 52 HG1 GLU 52 15.012 4.669 -0.311 432 H LYS 53 HN LYS 53 11.723 7.428 2.191 433 HA LYS 53 HA LYS 53 13.421 8.015 4.351 434 1HB LYS 53 HB2 LYS 53 10.501 8.745 4.215 435 2HB LYS 53 HB1 LYS 53 11.805 9.628 4.996 436 1HG LYS 53 HG2 LYS 53 11.883 9.158 2.056 437 2HG LYS 53 HG1 LYS 53 10.876 10.447 2.715 438 1HD LYS 53 HD2 LYS 53 13.791 10.155 3.398 439 2HD LYS 53 HD1 LYS 53 13.236 11.072 1.994 440 1HE LYS 53 HE2 LYS 53 12.195 12.676 3.290 441 2HE LYS 53 HE1 LYS 53 12.060 11.599 4.677 442 1HZ LYS 53 HZ1 LYS 53 14.469 11.768 4.973 443 2HZ LYS 53 HZ2 LYS 53 13.728 13.286 5.070 444 3HZ LYS 53 HZ3 LYS 53 14.562 12.842 3.668 445 H LYS 54 HN LYS 54 10.722 5.835 4.011 446 HA LYS 54 HA LYS 54 10.357 5.390 6.837 447 1HB LYS 54 HB2 LYS 54 9.477 3.333 4.885 448 2HB LYS 54 HB1 LYS 54 8.610 4.010 6.248 449 1HG LYS 54 HG2 LYS 54 9.064 5.421 3.633 450 2HG LYS 54 HG1 LYS 54 7.610 4.526 4.034 451 1HD LYS 54 HD2 LYS 54 8.628 6.936 5.530 452 2HD LYS 54 HD1 LYS 54 7.357 6.941 4.329 453 1HE LYS 54 HE2 LYS 54 6.147 6.862 6.267 454 2HE LYS 54 HE1 LYS 54 6.242 5.162 5.814 455 1HZ LYS 54 HZ1 LYS 54 6.694 5.485 8.168 456 2HZ LYS 54 HZ2 LYS 54 7.985 6.516 7.804 457 3HZ LYS 54 HZ3 LYS 54 8.063 4.882 7.377 458 H GLY 55 HN GLY 55 11.360 3.311 4.164 459 1HA GLY 55 HA2 GLY 55 13.753 2.397 5.291 460 2HA GLY 55 HA1 GLY 55 12.479 1.254 5.704 461 H VAL 56 HN VAL 56 11.153 2.125 3.078 462 HA VAL 56 HA VAL 56 12.137 0.008 1.460 463 HB VAL 56 HB VAL 56 10.476 2.258 0.379 464 1HG1 VAL 56 HG11 VAL 56 9.864 -0.605 -0.066 465 2HG1 VAL 56 HG12 VAL 56 11.313 0.046 -0.825 466 3HG1 VAL 56 HG13 VAL 56 9.740 0.765 -1.166 467 1HG2 VAL 56 HG21 VAL 56 8.480 0.909 1.265 468 2HG2 VAL 56 HG22 VAL 56 9.338 1.947 2.403 469 3HG2 VAL 56 HG23 VAL 56 9.634 0.209 2.398 470 H LEU 57 HN LEU 57 14.308 0.380 1.095 471 HA LEU 57 HA LEU 57 15.192 2.880 -0.090 472 1HB LEU 57 HB2 LEU 57 16.535 0.432 0.973 473 2HB LEU 57 HB1 LEU 57 17.430 1.536 -0.050 474 HG LEU 57 HG LEU 57 17.691 3.055 1.601 475 1HD1 LEU 57 HD11 LEU 57 15.955 3.532 3.343 476 2HD1 LEU 57 HD12 LEU 57 14.904 2.384 2.516 477 3HD1 LEU 57 HD13 LEU 57 15.445 3.838 1.685 478 1HD2 LEU 57 HD21 LEU 57 18.224 0.752 2.560 479 2HD2 LEU 57 HD22 LEU 57 16.728 0.927 3.482 480 3HD2 LEU 57 HD23 LEU 57 18.040 2.086 3.699 481 H ALA 58 HN ALA 58 14.558 -0.404 -1.080 482 HA ALA 58 HA ALA 58 16.014 -0.476 -3.470 483 1HB ALA 58 HB1 ALA 58 14.972 -2.444 -3.862 484 2HB ALA 58 HB2 ALA 58 13.387 -1.807 -3.420 485 3HB ALA 58 HB3 ALA 58 14.535 -2.271 -2.160 486 H LEU 59 HN LEU 59 15.908 0.985 -5.032 487 HA LEU 59 HA LEU 59 13.815 2.692 -5.617 488 1HB LEU 59 HB2 LEU 59 16.157 1.639 -7.106 489 2HB LEU 59 HB1 LEU 59 14.874 2.329 -8.079 490 HG LEU 59 HG LEU 59 16.634 3.964 -7.588 491 1HD1 LEU 59 HD11 LEU 59 15.145 5.733 -6.695 492 2HD1 LEU 59 HD12 LEU 59 13.967 4.479 -6.300 493 3HD1 LEU 59 HD13 LEU 59 14.407 4.777 -7.982 494 1HD2 LEU 59 HD21 LEU 59 17.011 4.778 -5.357 495 2HD2 LEU 59 HD22 LEU 59 17.271 3.034 -5.381 496 3HD2 LEU 59 HD23 LEU 59 15.781 3.692 -4.709 497 H GLY 60 HN GLY 60 14.319 -0.638 -6.334 498 1HA GLY 60 HA2 GLY 60 12.287 -0.874 -8.321 499 2HA GLY 60 HA1 GLY 60 13.102 -2.194 -7.504 500 H ALA 61 HN ALA 61 12.447 -1.582 -4.848 501 HA ALA 61 HA ALA 61 9.828 -2.699 -4.733 502 1HB ALA 61 HB1 ALA 61 10.472 -3.374 -2.733 503 2HB ALA 61 HB2 ALA 61 10.807 -1.729 -2.200 504 3HB ALA 61 HB3 ALA 61 12.034 -2.642 -3.075 505 H ARG 62 HN ARG 62 11.138 0.483 -3.717 506 HA ARG 62 HA ARG 62 8.643 1.377 -2.745 507 1HB ARG 62 HB2 ARG 62 9.662 3.569 -2.574 508 2HB ARG 62 HB1 ARG 62 10.736 2.335 -1.969 509 1HG ARG 62 HG2 ARG 62 11.953 2.426 -4.144 510 2HG ARG 62 HG1 ARG 62 10.956 3.824 -4.560 511 1HD ARG 62 HD2 ARG 62 11.748 4.936 -2.485 512 2HD ARG 62 HD1 ARG 62 12.821 3.572 -2.206 513 HE ARG 62 HE ARG 62 13.814 4.232 -4.455 514 1HH1 ARG 62 HH11 ARG 62 12.312 6.508 -2.286 515 2HH1 ARG 62 HH12 ARG 62 13.302 7.839 -2.784 516 1HH2 ARG 62 HH21 ARG 62 15.140 5.987 -5.101 517 2HH2 ARG 62 HH22 ARG 62 14.904 7.543 -4.381 518 H ARG 63 HN ARG 63 10.404 2.376 -5.671 519 HA ARG 63 HA ARG 63 8.429 3.961 -6.760 520 1HB ARG 63 HB2 ARG 63 10.400 2.168 -8.175 521 2HB ARG 63 HB1 ARG 63 9.394 3.346 -9.001 522 1HG ARG 63 HG2 ARG 63 10.425 5.123 -7.613 523 2HG ARG 63 HG1 ARG 63 11.509 3.907 -6.934 524 1HD ARG 63 HD2 ARG 63 12.575 5.145 -8.756 525 2HD ARG 63 HD1 ARG 63 12.397 3.436 -9.150 526 HE ARG 63 HE ARG 63 10.211 4.442 -10.277 527 1HH1 ARG 63 HH11 ARG 63 13.499 5.595 -10.332 528 2HH1 ARG 63 HH12 ARG 63 13.361 6.301 -11.907 529 1HH2 ARG 63 HH21 ARG 63 10.022 5.366 -12.353 530 2HH2 ARG 63 HH22 ARG 63 11.385 6.172 -13.056 531 H LYS 64 HN LYS 64 8.553 0.529 -6.393 532 HA LYS 64 HA LYS 64 6.506 -0.072 -8.327 533 1HB LYS 64 HB2 LYS 64 8.141 -1.558 -6.366 534 2HB LYS 64 HB1 LYS 64 6.552 -2.234 -6.695 535 1HG LYS 64 HG2 LYS 64 8.659 -1.632 -8.762 536 2HG LYS 64 HG1 LYS 64 8.267 -3.228 -8.119 537 1HD LYS 64 HD2 LYS 64 5.949 -2.934 -8.981 538 2HD LYS 64 HD1 LYS 64 6.470 -1.426 -9.737 539 1HE LYS 64 HE2 LYS 64 8.156 -2.684 -11.022 540 2HE LYS 64 HE1 LYS 64 7.563 -4.180 -10.301 541 1HZ LYS 64 HZ1 LYS 64 6.612 -3.854 -12.481 542 2HZ LYS 64 HZ2 LYS 64 6.006 -2.339 -12.035 543 3HZ LYS 64 HZ3 LYS 64 5.395 -3.741 -11.310 544 H LEU 65 HN LEU 65 6.690 0.327 -4.822 545 HA LEU 65 HA LEU 65 4.111 -0.453 -4.157 546 1HB LEU 65 HB2 LEU 65 6.173 1.270 -2.939 547 2HB LEU 65 HB1 LEU 65 4.534 1.496 -2.355 548 HG LEU 65 HG LEU 65 5.348 -1.310 -2.500 549 1HD1 LEU 65 HD11 LEU 65 6.923 0.667 -0.913 550 2HD1 LEU 65 HD12 LEU 65 7.470 -0.738 -1.833 551 3HD1 LEU 65 HD13 LEU 65 6.648 -0.960 -0.288 552 1HD2 LEU 65 HD21 LEU 65 4.360 -1.312 -0.252 553 2HD2 LEU 65 HD22 LEU 65 3.285 -0.594 -1.452 554 3HD2 LEU 65 HD23 LEU 65 4.184 0.439 -0.339 555 H LEU 66 HN LEU 66 5.283 2.449 -5.657 556 HA LEU 66 HA LEU 66 3.124 4.165 -5.178 557 1HB LEU 66 HB2 LEU 66 5.208 3.969 -7.309 558 2HB LEU 66 HB1 LEU 66 3.865 5.076 -7.534 559 HG LEU 66 HG LEU 66 5.263 5.254 -4.936 560 1HD1 LEU 66 HD11 LEU 66 6.588 5.797 -7.553 561 2HD1 LEU 66 HD12 LEU 66 7.254 5.093 -6.076 562 3HD1 LEU 66 HD13 LEU 66 6.931 6.826 -6.163 563 1HD2 LEU 66 HD21 LEU 66 4.939 7.656 -5.368 564 2HD2 LEU 66 HD22 LEU 66 3.433 6.745 -5.474 565 3HD2 LEU 66 HD23 LEU 66 4.254 7.264 -6.945 566 H LYS 67 HN LYS 67 3.454 1.414 -7.201 567 HA LYS 67 HA LYS 67 1.232 1.976 -8.925 568 1HB LYS 67 HB2 LYS 67 3.252 0.370 -9.323 569 2HB LYS 67 HB1 LYS 67 2.333 -0.756 -8.345 570 1HG LYS 67 HG2 LYS 67 2.156 -0.952 -10.869 571 2HG LYS 67 HG1 LYS 67 0.679 -1.014 -9.927 572 1HD LYS 67 HD2 LYS 67 1.523 1.649 -10.886 573 2HD LYS 67 HD1 LYS 67 0.955 0.501 -12.108 574 1HE LYS 67 HE2 LYS 67 -1.154 0.583 -11.376 575 2HE LYS 67 HE1 LYS 67 -0.626 0.508 -9.690 576 1HZ LYS 67 HZ1 LYS 67 -1.778 2.588 -10.180 577 2HZ LYS 67 HZ2 LYS 67 -0.651 2.953 -11.386 578 3HZ LYS 67 HZ3 LYS 67 -0.162 2.880 -9.769 579 H ALA 68 HN ALA 68 1.861 0.177 -5.986 580 HA ALA 68 HA ALA 68 -0.752 -0.934 -5.728 581 1HB ALA 68 HB1 ALA 68 -0.012 -1.431 -3.393 582 2HB ALA 68 HB2 ALA 68 1.488 -0.566 -3.738 583 3HB ALA 68 HB3 ALA 68 1.083 -2.028 -4.640 584 H PHE 69 HN PHE 69 0.688 2.103 -5.013 585 HA PHE 69 HA PHE 69 -1.089 2.959 -2.966 586 1HB PHE 69 HB2 PHE 69 0.734 4.437 -4.865 587 2HB PHE 69 HB1 PHE 69 -0.224 5.251 -3.644 588 HD1 PHE 69 HD1 PHE 69 0.521 2.370 -2.002 589 HD2 PHE 69 HD2 PHE 69 2.494 5.812 -3.548 590 HE1 PHE 69 HE1 PHE 69 2.340 2.059 -0.379 591 HE2 PHE 69 HE2 PHE 69 4.312 5.504 -1.922 592 HZ PHE 69 HZ PHE 69 4.232 3.628 -0.327 593 H GLY 70 HN GLY 70 -1.031 3.340 -6.491 594 1HA GLY 70 HA2 GLY 70 -3.269 5.118 -6.558 595 2HA GLY 70 HA1 GLY 70 -2.534 4.325 -7.939 596 H ILE 71 HN ILE 71 -2.927 1.657 -7.289 597 HA ILE 71 HA ILE 71 -5.503 1.192 -8.212 598 HB ILE 71 HB ILE 71 -3.887 -0.722 -6.522 599 1HG1 ILE 71 HG12 ILE 71 -3.839 -0.669 -9.518 600 2HG1 ILE 71 HG11 ILE 71 -2.804 0.434 -8.616 601 1HG2 ILE 71 HG21 ILE 71 -5.880 -1.296 -8.709 602 2HG2 ILE 71 HG22 ILE 71 -6.268 -1.325 -6.991 603 3HG2 ILE 71 HG23 ILE 71 -5.091 -2.462 -7.646 604 1HD1 ILE 71 HD11 ILE 71 -2.814 -2.544 -8.227 605 2HD1 ILE 71 HD12 ILE 71 -1.669 -1.372 -7.572 606 3HD1 ILE 71 HD13 ILE 71 -1.715 -1.686 -9.307 607 H VAL 72 HN VAL 72 -4.310 1.485 -4.919 608 HA VAL 72 HA VAL 72 -6.712 0.576 -3.654 609 HB VAL 72 HB VAL 72 -4.528 2.334 -2.528 610 1HG1 VAL 72 HG11 VAL 72 -5.339 1.730 -0.355 611 2HG1 VAL 72 HG12 VAL 72 -6.537 0.646 -1.043 612 3HG1 VAL 72 HG13 VAL 72 -6.683 2.383 -1.286 613 1HG2 VAL 72 HG21 VAL 72 -3.831 0.071 -3.415 614 2HG2 VAL 72 HG22 VAL 72 -4.826 -0.634 -2.146 615 3HG2 VAL 72 HG23 VAL 72 -3.459 0.392 -1.725 616 H ILE 73 HN ILE 73 -5.336 3.723 -4.429 617 HA ILE 73 HA ILE 73 -7.212 5.378 -3.221 618 HB ILE 73 HB ILE 73 -5.413 5.725 -5.604 619 1HG1 ILE 73 HG12 ILE 73 -5.481 7.160 -2.949 620 2HG1 ILE 73 HG11 ILE 73 -4.551 5.694 -3.234 621 1HG2 ILE 73 HG21 ILE 73 -6.100 8.244 -5.245 622 2HG2 ILE 73 HG22 ILE 73 -7.606 7.509 -4.694 623 3HG2 ILE 73 HG23 ILE 73 -7.016 7.191 -6.323 624 1HD1 ILE 73 HD11 ILE 73 -4.155 8.037 -5.026 625 2HD1 ILE 73 HD12 ILE 73 -3.027 6.762 -4.562 626 3HD1 ILE 73 HD13 ILE 73 -3.434 8.037 -3.418 627 H ASP 74 HN ASP 74 -7.144 4.312 -6.622 628 HA ASP 74 HA ASP 74 -9.522 5.501 -7.437 629 1HB ASP 74 HB2 ASP 74 -7.727 4.269 -8.838 630 2HB ASP 74 HB1 ASP 74 -8.628 2.805 -8.459 631 H TYR 75 HN TYR 75 -9.090 2.083 -6.388 632 HA TYR 75 HA TYR 75 -11.807 1.435 -6.419 633 1HB TYR 75 HB2 TYR 75 -9.466 0.307 -4.900 634 2HB TYR 75 HB1 TYR 75 -11.090 -0.369 -4.755 635 HD1 TYR 75 HD1 TYR 75 -12.156 -0.238 -7.415 636 HD2 TYR 75 HD2 TYR 75 -8.195 -1.178 -6.200 637 HE1 TYR 75 HE1 TYR 75 -11.837 -1.517 -9.487 638 HE2 TYR 75 HE2 TYR 75 -7.861 -2.459 -8.271 639 HH TYR 75 HH TYR 75 -10.011 -2.295 -10.905 640 H LYS 76 HN LYS 76 -9.864 3.081 -4.041 641 HA LYS 76 HA LYS 76 -11.686 3.066 -1.897 642 1HB LYS 76 HB2 LYS 76 -9.631 3.873 -1.216 643 2HB LYS 76 HB1 LYS 76 -9.317 4.648 -2.755 644 1HG LYS 76 HG2 LYS 76 -11.157 6.311 -2.018 645 2HG LYS 76 HG1 LYS 76 -10.842 5.662 -0.420 646 1HD LYS 76 HD2 LYS 76 -8.500 6.484 -2.036 647 2HD LYS 76 HD1 LYS 76 -9.533 7.768 -1.403 648 1HE LYS 76 HE2 LYS 76 -7.968 5.696 0.108 649 2HE LYS 76 HE1 LYS 76 -7.874 7.452 0.224 650 1HZ LYS 76 HZ1 LYS 76 -9.135 6.121 2.027 651 2HZ LYS 76 HZ2 LYS 76 -10.394 6.099 0.904 652 3HZ LYS 76 HZ3 LYS 76 -9.786 7.574 1.460 653 H GLU 77 HN GLU 77 -11.059 5.241 -4.555 654 HA GLU 77 HA GLU 77 -13.042 7.159 -4.059 655 1HB GLU 77 HB2 GLU 77 -11.379 6.367 -6.430 656 2HB GLU 77 HB1 GLU 77 -12.534 7.677 -6.532 657 1HG GLU 77 HG2 GLU 77 -10.598 7.709 -4.295 658 2HG GLU 77 HG1 GLU 77 -10.002 8.069 -5.912 659 H ARG 78 HN ARG 78 -13.145 4.046 -5.621 660 HA ARG 78 HA ARG 78 -15.673 4.629 -6.944 661 1HB ARG 78 HB2 ARG 78 -13.855 2.232 -6.897 662 2HB ARG 78 HB1 ARG 78 -15.463 2.164 -7.601 663 1HG ARG 78 HG2 ARG 78 -14.834 3.987 -9.139 664 2HG ARG 78 HG1 ARG 78 -13.203 3.955 -8.463 665 1HD ARG 78 HD2 ARG 78 -13.374 2.684 -10.564 666 2HD ARG 78 HD1 ARG 78 -12.903 1.671 -9.200 667 HE ARG 78 HE ARG 78 -15.562 1.334 -9.251 668 1HH1 ARG 78 HH11 ARG 78 -13.155 1.182 -11.766 669 2HH1 ARG 78 HH12 ARG 78 -14.021 0.010 -12.702 670 1HH2 ARG 78 HH21 ARG 78 -16.708 -0.210 -10.477 671 2HH2 ARG 78 HH22 ARG 78 -16.040 -0.781 -11.970 672 H ASP 79 HN ASP 79 -15.144 4.355 -3.918 673 HA ASP 79 HA ASP 79 -16.239 3.584 -2.078 674 1HB ASP 79 HB2 ASP 79 -18.162 4.592 -3.337 675 2HB ASP 79 HB1 ASP 79 -18.498 2.999 -4.009 676 H LEU 80 HN LEU 80 -14.688 1.749 -3.831 677 HA LEU 80 HA LEU 80 -16.013 -0.807 -3.534 678 1HB LEU 80 HB2 LEU 80 -13.835 0.250 -5.101 679 2HB LEU 80 HB1 LEU 80 -13.336 -1.219 -4.292 680 HG LEU 80 HG LEU 80 -15.690 -2.060 -5.255 681 1HD1 LEU 80 HD11 LEU 80 -16.072 -1.159 -7.471 682 2HD1 LEU 80 HD12 LEU 80 -14.739 -0.021 -7.258 683 3HD1 LEU 80 HD13 LEU 80 -16.192 0.126 -6.266 684 1HD2 LEU 80 HD21 LEU 80 -13.422 -3.022 -5.614 685 2HD2 LEU 80 HD22 LEU 80 -13.215 -1.881 -6.943 686 3HD2 LEU 80 HD23 LEU 80 -14.474 -3.112 -7.029 687 H ILE 81 HN ILE 81 -13.722 1.143 -1.856 688 HA ILE 81 HA ILE 81 -12.900 -1.077 -0.129 689 HB ILE 81 HB ILE 81 -11.977 1.801 -0.197 690 1HG1 ILE 81 HG12 ILE 81 -10.621 -0.763 -1.065 691 2HG1 ILE 81 HG11 ILE 81 -11.248 0.486 -2.136 692 1HG2 ILE 81 HG21 ILE 81 -10.855 -0.495 1.411 693 2HG2 ILE 81 HG22 ILE 81 -11.895 0.767 2.074 694 3HG2 ILE 81 HG23 ILE 81 -10.304 1.179 1.427 695 1HD1 ILE 81 HD11 ILE 81 -8.945 0.738 -0.217 696 2HD1 ILE 81 HD12 ILE 81 -9.616 2.068 -1.162 697 3HD1 ILE 81 HD13 ILE 81 -8.870 0.695 -1.979 698 H ASP 82 HN ASP 82 -13.653 -1.335 1.893 699 HA ASP 82 HA ASP 82 -15.994 -0.095 2.744 700 1HB ASP 82 HB2 ASP 82 -14.832 -2.297 3.542 701 2HB ASP 82 HB1 ASP 82 -14.043 -1.240 4.709 702 H ARG 83 HN ARG 83 -16.414 1.761 3.768 703 HA ARG 83 HA ARG 83 -14.461 3.737 4.077 704 1HB ARG 83 HB2 ARG 83 -17.105 3.655 5.527 705 2HB ARG 83 HB1 ARG 83 -16.160 5.078 5.108 706 1HG ARG 83 HG2 ARG 83 -17.536 3.222 3.186 707 2HG ARG 83 HG1 ARG 83 -18.060 4.847 3.625 708 1HD ARG 83 HD2 ARG 83 -15.566 4.059 2.124 709 2HD ARG 83 HD1 ARG 83 -16.957 4.939 1.495 710 HE ARG 83 HE ARG 83 -14.741 6.032 2.902 711 1HH1 ARG 83 HH11 ARG 83 -18.173 6.395 2.407 712 2HH1 ARG 83 HH12 ARG 83 -18.173 8.093 2.747 713 1HH2 ARG 83 HH21 ARG 83 -14.733 8.267 3.349 714 2HH2 ARG 83 HH22 ARG 83 -16.217 9.157 3.281 715 H SER 84 HN SER 84 -15.157 1.050 5.971 716 HA SER 84 HA SER 84 -14.554 2.019 8.558 717 1HB SER 84 HB2 SER 84 -14.256 -0.768 7.404 718 2HB SER 84 HB1 SER 84 -14.159 -0.369 9.120 719 HG SER 84 HG SER 84 -16.344 0.564 8.772 720 H ALA 85 HN ALA 85 -12.593 0.884 5.877 721 HA ALA 85 HA ALA 85 -10.151 0.619 7.285 722 1HB ALA 85 HB1 ALA 85 -9.113 0.854 5.013 723 2HB ALA 85 HB2 ALA 85 -10.730 1.136 4.367 724 3HB ALA 85 HB3 ALA 85 -10.340 -0.400 5.135 725 H TYR 86 HN TYR 86 -11.632 3.233 5.462 726 HA TYR 86 HA TYR 86 -9.767 5.172 5.325 727 1HB TYR 86 HB2 TYR 86 -12.656 5.438 6.143 728 2HB TYR 86 HB1 TYR 86 -11.630 6.834 5.871 729 HD1 TYR 86 HD1 TYR 86 -11.867 3.640 3.980 730 HD2 TYR 86 HD2 TYR 86 -12.428 7.849 3.944 731 HE1 TYR 86 HE1 TYR 86 -12.394 3.536 1.584 732 HE2 TYR 86 HE2 TYR 86 -12.961 7.765 1.545 733 HH TYR 86 HH TYR 86 -12.577 6.316 -0.378 Start of MODEL 13 1 1H SER 1 HT1 SER 1 7.723 -17.097 -3.539 2 2H SER 1 HT2 SER 1 7.455 -17.139 -5.209 3 3H SER 1 HT3 SER 1 6.418 -16.253 -4.208 4 HA SER 1 HA SER 1 8.190 -14.743 -3.633 5 1HB SER 1 HB2 SER 1 9.804 -16.389 -5.598 6 2HB SER 1 HB1 SER 1 10.339 -14.884 -4.851 7 HG SER 1 HG SER 1 10.908 -17.078 -3.877 8 H ASN 2 HN ASN 2 6.236 -13.838 -4.679 9 HA ASN 2 HA ASN 2 6.974 -12.634 -7.225 10 1HB ASN 2 HB2 ASN 2 5.657 -14.611 -7.862 11 2HB ASN 2 HB1 ASN 2 4.339 -14.070 -6.826 12 1HD2 ASN 2 HD21 ASN 2 3.092 -12.315 -7.451 13 2HD2 ASN 2 HD22 ASN 2 3.099 -11.710 -9.070 14 H SER 3 HN SER 3 6.972 -10.556 -6.644 15 HA SER 3 HA SER 3 5.224 -9.489 -4.654 16 1HB SER 3 HB2 SER 3 6.218 -7.299 -5.307 17 2HB SER 3 HB1 SER 3 7.434 -8.526 -4.950 18 HG SER 3 HG SER 3 8.098 -7.673 -6.833 19 H SER 4 HN SER 4 3.131 -9.935 -5.396 20 HA SER 4 HA SER 4 2.271 -8.551 -7.836 21 1HB SER 4 HB2 SER 4 0.181 -9.900 -7.569 22 2HB SER 4 HB1 SER 4 1.631 -10.884 -7.756 23 HG SER 4 HG SER 4 1.584 -10.788 -5.300 24 H MET 5 HN MET 5 0.440 -7.178 -7.821 25 HA MET 5 HA MET 5 0.234 -5.592 -5.436 26 1HB MET 5 HB2 MET 5 -0.602 -5.350 -8.252 27 2HB MET 5 HB1 MET 5 -1.632 -4.530 -7.085 28 1HG MET 5 HG2 MET 5 0.117 -3.066 -7.974 29 2HG MET 5 HG1 MET 5 0.251 -3.292 -6.228 30 1HE MET 5 HE1 MET 5 3.996 -3.093 -6.777 31 2HE MET 5 HE2 MET 5 2.562 -2.518 -5.925 32 3HE MET 5 HE3 MET 5 2.821 -2.082 -7.613 33 H ASN 6 HN ASN 6 -2.254 -7.092 -7.474 34 HA ASN 6 HA ASN 6 -4.159 -8.241 -6.988 35 1HB ASN 6 HB2 ASN 6 -3.274 -8.197 -4.092 36 2HB ASN 6 HB1 ASN 6 -4.502 -9.236 -4.810 37 1HD2 ASN 6 HD21 ASN 6 -3.890 -10.973 -6.069 38 2HD2 ASN 6 HD22 ASN 6 -2.268 -11.568 -6.103 39 HA PRO 7 HA PRO 7 -6.073 -4.143 -5.921 40 1HB PRO 7 HB2 PRO 7 -8.165 -4.613 -7.683 41 2HB PRO 7 HB1 PRO 7 -6.698 -3.709 -8.058 42 1HG PRO 7 HG2 PRO 7 -7.402 -6.524 -8.705 43 2HG PRO 7 HG1 PRO 7 -6.490 -5.344 -9.658 44 1HD PRO 7 HD2 PRO 7 -5.282 -7.343 -8.321 45 2HD PRO 7 HD1 PRO 7 -4.526 -5.753 -8.522 46 H LYS 8 HN LYS 8 -6.877 -7.422 -5.584 47 HA LYS 8 HA LYS 8 -9.494 -6.998 -4.464 48 1HB LYS 8 HB2 LYS 8 -7.723 -9.434 -4.177 49 2HB LYS 8 HB1 LYS 8 -9.457 -9.354 -3.898 50 1HG LYS 8 HG2 LYS 8 -9.484 -10.265 -5.965 51 2HG LYS 8 HG1 LYS 8 -9.431 -8.564 -6.435 52 1HD LYS 8 HD2 LYS 8 -6.784 -9.139 -6.138 53 2HD LYS 8 HD1 LYS 8 -7.416 -10.672 -6.744 54 1HE LYS 8 HE2 LYS 8 -8.464 -9.476 -8.617 55 2HE LYS 8 HE1 LYS 8 -7.782 -7.966 -8.014 56 1HZ LYS 8 HZ1 LYS 8 -6.410 -8.832 -9.766 57 2HZ LYS 8 HZ2 LYS 8 -6.260 -10.324 -8.983 58 3HZ LYS 8 HZ3 LYS 8 -5.560 -8.941 -8.308 59 H SER 9 HN SER 9 -6.296 -7.853 -3.222 60 HA SER 9 HA SER 9 -7.071 -7.576 -0.480 61 1HB SER 9 HB2 SER 9 -4.438 -8.005 -1.884 62 2HB SER 9 HB1 SER 9 -4.525 -7.760 -0.143 63 HG SER 9 HG SER 9 -6.336 -9.588 -0.866 64 H LEU 10 HN LEU 10 -5.470 -5.577 -2.869 65 HA LEU 10 HA LEU 10 -4.484 -3.587 -1.180 66 1HB LEU 10 HB2 LEU 10 -5.493 -3.270 -4.001 67 2HB LEU 10 HB1 LEU 10 -4.446 -2.154 -3.154 68 HG LEU 10 HG LEU 10 -3.619 -4.990 -3.669 69 1HD1 LEU 10 HD11 LEU 10 -4.224 -3.823 -5.795 70 2HD1 LEU 10 HD12 LEU 10 -2.530 -4.287 -5.667 71 3HD1 LEU 10 HD13 LEU 10 -3.003 -2.610 -5.407 72 1HD2 LEU 10 HD21 LEU 10 -2.399 -2.523 -2.609 73 2HD2 LEU 10 HD22 LEU 10 -1.402 -3.506 -3.673 74 3HD2 LEU 10 HD23 LEU 10 -2.081 -4.211 -2.208 75 H THR 11 HN THR 11 -7.681 -4.426 -1.871 76 HA THR 11 HA THR 11 -8.577 -1.777 -0.913 77 HB THR 11 HB THR 11 -10.422 -1.770 -2.357 78 HG1 THR 11 HG1 THR 11 -10.892 -3.737 -3.634 79 1HG2 THR 11 HG21 THR 11 -8.264 -1.399 -3.553 80 2HG2 THR 11 HG22 THR 11 -9.525 -2.064 -4.590 81 3HG2 THR 11 HG23 THR 11 -8.251 -3.108 -3.972 82 H ASP 12 HN ASP 12 -7.989 -4.432 0.419 83 HA ASP 12 HA ASP 12 -10.642 -4.911 1.594 84 1HB ASP 12 HB2 ASP 12 -9.365 -6.856 0.510 85 2HB ASP 12 HB1 ASP 12 -8.247 -6.724 1.864 86 HA PRO 13 HA PRO 13 -8.999 -2.321 4.886 87 1HB PRO 13 HB2 PRO 13 -11.223 -3.818 6.243 88 2HB PRO 13 HB1 PRO 13 -10.775 -2.112 6.381 89 1HG PRO 13 HG2 PRO 13 -12.797 -2.807 4.839 90 2HG PRO 13 HG1 PRO 13 -11.634 -1.575 4.285 91 1HD PRO 13 HD2 PRO 13 -11.939 -4.432 3.446 92 2HD PRO 13 HD1 PRO 13 -11.430 -3.024 2.497 93 H LYS 14 HN LYS 14 -9.350 -5.798 4.910 94 HA LYS 14 HA LYS 14 -8.288 -6.312 7.475 95 1HB LYS 14 HB2 LYS 14 -9.285 -7.889 5.497 96 2HB LYS 14 HB1 LYS 14 -7.565 -8.227 5.348 97 1HG LYS 14 HG2 LYS 14 -9.241 -8.540 7.831 98 2HG LYS 14 HG1 LYS 14 -8.622 -9.837 6.809 99 1HD LYS 14 HD2 LYS 14 -6.873 -7.855 8.270 100 2HD LYS 14 HD1 LYS 14 -7.306 -9.448 8.902 101 1HE LYS 14 HE2 LYS 14 -6.317 -10.441 6.831 102 2HE LYS 14 HE1 LYS 14 -5.748 -8.828 6.401 103 1HZ LYS 14 HZ1 LYS 14 -4.074 -10.233 7.544 104 2HZ LYS 14 HZ2 LYS 14 -5.041 -10.206 8.932 105 3HZ LYS 14 HZ3 LYS 14 -4.383 -8.767 8.332 106 H LEU 15 HN LEU 15 -6.754 -6.088 4.296 107 HA LEU 15 HA LEU 15 -4.092 -6.308 5.328 108 1HB LEU 15 HB2 LEU 15 -5.189 -5.447 2.656 109 2HB LEU 15 HB1 LEU 15 -3.487 -5.531 2.995 110 HG LEU 15 HG LEU 15 -4.110 -7.487 1.780 111 1HD1 LEU 15 HD11 LEU 15 -3.911 -9.096 4.029 112 2HD1 LEU 15 HD12 LEU 15 -3.133 -7.577 4.490 113 3HD1 LEU 15 HD13 LEU 15 -2.581 -8.457 3.060 114 1HD2 LEU 15 HD21 LEU 15 -5.797 -9.045 2.539 115 2HD2 LEU 15 HD22 LEU 15 -6.505 -7.447 2.311 116 3HD2 LEU 15 HD23 LEU 15 -6.145 -8.028 3.936 117 H LEU 16 HN LEU 16 -6.075 -3.724 3.994 118 HA LEU 16 HA LEU 16 -4.317 -1.625 4.085 119 1HB LEU 16 HB2 LEU 16 -7.241 -1.423 4.787 120 2HB LEU 16 HB1 LEU 16 -6.237 -0.209 4.020 121 HG LEU 16 HG LEU 16 -6.812 -2.859 2.724 122 1HD1 LEU 16 HD11 LEU 16 -8.708 -2.080 1.723 123 2HD1 LEU 16 HD12 LEU 16 -8.246 -0.394 1.901 124 3HD1 LEU 16 HD13 LEU 16 -8.841 -1.291 3.294 125 1HD2 LEU 16 HD21 LEU 16 -4.962 -0.937 2.131 126 2HD2 LEU 16 HD22 LEU 16 -6.311 -0.491 1.087 127 3HD2 LEU 16 HD23 LEU 16 -5.619 -2.109 0.992 128 H LYS 17 HN LYS 17 -6.577 -2.567 6.698 129 HA LYS 17 HA LYS 17 -5.647 -0.672 8.560 130 1HB LYS 17 HB2 LYS 17 -6.974 -3.354 8.992 131 2HB LYS 17 HB1 LYS 17 -6.672 -2.193 10.275 132 1HG LYS 17 HG2 LYS 17 -8.167 -0.619 9.293 133 2HG LYS 17 HG1 LYS 17 -8.334 -1.606 7.839 134 1HD LYS 17 HD2 LYS 17 -9.387 -3.374 9.142 135 2HD LYS 17 HD1 LYS 17 -9.187 -2.424 10.616 136 1HE LYS 17 HE2 LYS 17 -10.615 -0.678 9.666 137 2HE LYS 17 HE1 LYS 17 -10.837 -1.650 8.214 138 1HZ LYS 17 HZ1 LYS 17 -11.832 -3.385 9.619 139 2HZ LYS 17 HZ2 LYS 17 -12.705 -1.939 9.668 140 3HZ LYS 17 HZ3 LYS 17 -11.704 -2.364 10.963 141 H ASN 18 HN ASN 18 -4.503 -3.800 7.586 142 HA ASN 18 HA ASN 18 -2.372 -3.700 9.620 143 1HB ASN 18 HB2 ASN 18 -4.078 -5.768 9.131 144 2HB ASN 18 HB1 ASN 18 -2.768 -6.172 8.030 145 1HD2 ASN 18 HD21 ASN 18 -2.375 -8.029 9.302 146 2HD2 ASN 18 HD22 ASN 18 -1.503 -7.916 10.789 147 H ILE 19 HN ILE 19 -1.597 -2.005 7.997 148 HA ILE 19 HA ILE 19 -0.855 -2.304 5.451 149 HB ILE 19 HB ILE 19 0.742 -1.046 7.663 150 1HG1 ILE 19 HG12 ILE 19 -1.422 -0.004 7.036 151 2HG1 ILE 19 HG11 ILE 19 -0.051 1.031 6.687 152 1HG2 ILE 19 HG21 ILE 19 1.331 -0.660 4.741 153 2HG2 ILE 19 HG22 ILE 19 2.180 -1.847 5.724 154 3HG2 ILE 19 HG23 ILE 19 2.280 -0.137 6.131 155 1HD1 ILE 19 HD11 ILE 19 -1.500 1.228 4.856 156 2HD1 ILE 19 HD12 ILE 19 -1.728 -0.512 4.732 157 3HD1 ILE 19 HD13 ILE 19 -0.175 0.207 4.308 158 HA PRO 20 HA PRO 20 3.303 -4.737 6.770 159 1HB PRO 20 HB2 PRO 20 1.776 -6.309 8.821 160 2HB PRO 20 HB1 PRO 20 3.508 -5.937 8.756 161 1HG PRO 20 HG2 PRO 20 1.920 -4.584 10.387 162 2HG PRO 20 HG1 PRO 20 3.199 -3.750 9.490 163 1HD PRO 20 HD2 PRO 20 0.256 -3.735 9.050 164 2HD PRO 20 HD1 PRO 20 1.454 -2.464 8.734 165 H MET 21 HN MET 21 0.155 -6.231 7.420 166 HA MET 21 HA MET 21 0.557 -8.575 5.914 167 1HB MET 21 HB2 MET 21 -1.207 -7.943 7.725 168 2HB MET 21 HB1 MET 21 -2.137 -7.326 6.367 169 1HG MET 21 HG2 MET 21 -2.770 -9.607 7.030 170 2HG MET 21 HG1 MET 21 -2.227 -9.495 5.361 171 1HE MET 21 HE1 MET 21 -0.788 -9.884 8.918 172 2HE MET 21 HE2 MET 21 0.695 -9.409 8.083 173 3HE MET 21 HE3 MET 21 0.522 -11.048 8.714 174 H TRP 22 HN TRP 22 -0.999 -5.480 5.168 175 HA TRP 22 HA TRP 22 -1.872 -5.926 2.603 176 1HB TRP 22 HB2 TRP 22 -2.238 -3.872 3.952 177 2HB TRP 22 HB1 TRP 22 -0.574 -3.401 3.671 178 HD1 TRP 22 HD1 TRP 22 -3.878 -3.895 1.717 179 HE1 TRP 22 HE1 TRP 22 -3.797 -2.374 -0.353 180 HE3 TRP 22 HE3 TRP 22 0.913 -2.153 2.173 181 HZ2 TRP 22 HZ2 TRP 22 -1.952 -0.711 -1.662 182 HZ3 TRP 22 HZ3 TRP 22 1.760 -0.607 0.449 183 HH2 TRP 22 HH2 TRP 22 0.356 0.110 -1.415 184 H LEU 23 HN LEU 23 1.350 -5.222 3.789 185 HA LEU 23 HA LEU 23 2.569 -5.039 1.209 186 1HB LEU 23 HB2 LEU 23 3.644 -5.318 4.010 187 2HB LEU 23 HB1 LEU 23 4.676 -5.240 2.602 188 HG LEU 23 HG LEU 23 2.737 -3.076 3.402 189 1HD1 LEU 23 HD11 LEU 23 5.022 -1.905 3.851 190 2HD1 LEU 23 HD12 LEU 23 5.607 -3.557 4.067 191 3HD1 LEU 23 HD13 LEU 23 4.298 -2.941 5.078 192 1HD2 LEU 23 HD21 LEU 23 3.866 -1.724 1.765 193 2HD2 LEU 23 HD22 LEU 23 3.303 -3.203 0.988 194 3HD2 LEU 23 HD23 LEU 23 5.003 -3.024 1.415 195 H LYS 24 HN LYS 24 1.884 -7.565 3.533 196 HA LYS 24 HA LYS 24 3.663 -9.529 2.806 197 1HB LYS 24 HB2 LYS 24 1.399 -9.345 4.397 198 2HB LYS 24 HB1 LYS 24 1.043 -10.625 3.243 199 1HG LYS 24 HG2 LYS 24 2.361 -12.024 4.333 200 2HG LYS 24 HG1 LYS 24 3.716 -10.903 4.162 201 1HD LYS 24 HD2 LYS 24 1.634 -10.413 6.213 202 2HD LYS 24 HD1 LYS 24 2.905 -11.588 6.527 203 1HE LYS 24 HE2 LYS 24 4.590 -9.909 6.235 204 2HE LYS 24 HE1 LYS 24 3.387 -8.735 5.703 205 1HZ LYS 24 HZ1 LYS 24 4.005 -8.345 7.992 206 2HZ LYS 24 HZ2 LYS 24 3.580 -9.927 8.417 207 3HZ LYS 24 HZ3 LYS 24 2.387 -8.838 7.914 208 H SER 25 HN SER 25 0.588 -8.606 1.349 209 HA SER 25 HA SER 25 0.630 -10.672 -0.635 210 1HB SER 25 HB2 SER 25 -1.516 -9.822 0.041 211 2HB SER 25 HB1 SER 25 -1.053 -8.164 -0.344 212 HG SER 25 HG SER 25 -2.343 -9.611 -1.919 213 H LEU 26 HN LEU 26 2.070 -7.605 -0.283 214 HA LEU 26 HA LEU 26 2.558 -7.310 -3.158 215 1HB LEU 26 HB2 LEU 26 3.337 -5.460 -0.908 216 2HB LEU 26 HB1 LEU 26 3.397 -5.107 -2.624 217 HG LEU 26 HG LEU 26 0.867 -5.616 -1.065 218 1HD1 LEU 26 HD11 LEU 26 0.488 -3.264 -1.129 219 2HD1 LEU 26 HD12 LEU 26 1.922 -3.003 -2.121 220 3HD1 LEU 26 HD13 LEU 26 2.093 -3.528 -0.446 221 1HD2 LEU 26 HD21 LEU 26 0.250 -4.241 -3.359 222 2HD2 LEU 26 HD22 LEU 26 0.028 -5.970 -3.102 223 3HD2 LEU 26 HD23 LEU 26 1.486 -5.378 -3.898 224 H ARG 27 HN ARG 27 3.900 -8.883 -0.632 225 HA ARG 27 HA ARG 27 5.905 -9.860 -0.240 226 1HB ARG 27 HB2 ARG 27 6.252 -9.005 -3.088 227 2HB ARG 27 HB1 ARG 27 7.628 -9.646 -2.202 228 1HG ARG 27 HG2 ARG 27 5.000 -11.082 -2.499 229 2HG ARG 27 HG1 ARG 27 6.393 -11.327 -3.555 230 1HD ARG 27 HD2 ARG 27 7.718 -12.134 -1.738 231 2HD ARG 27 HD1 ARG 27 6.486 -11.675 -0.564 232 HE ARG 27 HE ARG 27 5.301 -13.463 -2.321 233 1HH1 ARG 27 HH11 ARG 27 7.913 -13.466 -0.012 234 2HH1 ARG 27 HH12 ARG 27 7.743 -15.146 0.370 235 1HH2 ARG 27 HH21 ARG 27 5.071 -15.675 -1.821 236 2HH2 ARG 27 HH22 ARG 27 6.129 -16.402 -0.658 237 H LEU 28 HN LEU 28 5.359 -6.828 0.067 238 HA LEU 28 HA LEU 28 8.169 -5.986 0.455 239 1HB LEU 28 HB2 LEU 28 5.615 -4.396 0.177 240 2HB LEU 28 HB1 LEU 28 7.115 -3.680 0.722 241 HG LEU 28 HG LEU 28 7.521 -5.115 -1.752 242 1HD1 LEU 28 HD11 LEU 28 6.191 -3.475 -3.135 243 2HD1 LEU 28 HD12 LEU 28 5.302 -3.093 -1.660 244 3HD1 LEU 28 HD13 LEU 28 5.261 -4.729 -2.316 245 1HD2 LEU 28 HD21 LEU 28 8.095 -2.648 -2.395 246 2HD2 LEU 28 HD22 LEU 28 9.117 -3.534 -1.266 247 3HD2 LEU 28 HD23 LEU 28 7.937 -2.372 -0.661 248 H HIS 29 HN HIS 29 6.395 -7.728 2.192 249 HA HIS 29 HA HIS 29 5.768 -6.312 4.539 250 1HB HIS 29 HB2 HIS 29 6.070 -8.523 5.686 251 2HB HIS 29 HB1 HIS 29 4.998 -8.589 4.289 252 HD1 HIS 29 HD1 HIS 29 6.075 -9.627 2.067 253 HD2 HIS 29 HD2 HIS 29 8.199 -10.242 5.585 254 HE1 HIS 29 HE1 HIS 29 7.680 -11.494 1.564 255 HE2 HIS 29 HE2 HIS 29 8.887 -11.916 3.736 256 H LYS 30 HN LYS 30 8.611 -7.008 2.956 257 HA LYS 30 HA LYS 30 10.556 -7.211 4.931 258 1HB LYS 30 HB2 LYS 30 11.963 -5.998 3.106 259 2HB LYS 30 HB1 LYS 30 11.326 -7.581 2.747 260 1HG LYS 30 HG2 LYS 30 9.360 -5.893 1.868 261 2HG LYS 30 HG1 LYS 30 10.848 -5.029 1.492 262 1HD LYS 30 HD2 LYS 30 11.664 -7.300 0.576 263 2HD LYS 30 HD1 LYS 30 9.949 -7.722 0.554 264 1HE LYS 30 HE2 LYS 30 9.447 -5.931 -0.919 265 2HE LYS 30 HE1 LYS 30 11.054 -5.245 -0.701 266 1HZ LYS 30 HZ1 LYS 30 10.771 -6.437 -2.828 267 2HZ LYS 30 HZ2 LYS 30 10.522 -7.873 -1.970 268 3HZ LYS 30 HZ3 LYS 30 12.013 -7.079 -1.874 269 H TYR 31 HN TYR 31 8.826 -4.528 3.599 270 HA TYR 31 HA TYR 31 10.179 -2.645 5.394 271 1HB TYR 31 HB2 TYR 31 8.527 -2.147 2.912 272 2HB TYR 31 HB1 TYR 31 9.319 -0.909 3.882 273 HD1 TYR 31 HD1 TYR 31 9.594 -2.607 0.939 274 HD2 TYR 31 HD2 TYR 31 11.953 -1.647 4.345 275 HE1 TYR 31 HE1 TYR 31 11.642 -2.936 -0.389 276 HE2 TYR 31 HE2 TYR 31 14.005 -1.960 3.026 277 HH TYR 31 HH TYR 31 14.004 -2.199 -0.347 278 H SER 32 HN SER 32 7.992 -4.592 6.001 279 HA SER 32 HA SER 32 5.546 -3.257 6.305 280 1HB SER 32 HB2 SER 32 4.978 -5.013 7.916 281 2HB SER 32 HB1 SER 32 5.778 -5.709 6.508 282 HG SER 32 HG SER 32 7.763 -5.392 7.917 283 H ASP 33 HN ASP 33 8.313 -3.601 8.475 284 HA ASP 33 HA ASP 33 7.197 -2.255 10.661 285 1HB ASP 33 HB2 ASP 33 10.060 -2.638 9.788 286 2HB ASP 33 HB1 ASP 33 9.583 -1.989 11.342 287 H ALA 34 HN ALA 34 9.004 -1.111 7.851 288 HA ALA 34 HA ALA 34 9.202 1.591 8.810 289 1HB ALA 34 HB1 ALA 34 10.366 2.070 6.844 290 2HB ALA 34 HB2 ALA 34 9.620 0.732 5.971 291 3HB ALA 34 HB3 ALA 34 10.814 0.410 7.231 292 H LEU 35 HN LEU 35 6.842 -0.213 7.093 293 HA LEU 35 HA LEU 35 5.549 2.268 6.192 294 1HB LEU 35 HB2 LEU 35 5.600 -0.519 5.166 295 2HB LEU 35 HB1 LEU 35 4.142 0.414 4.911 296 HG LEU 35 HG LEU 35 5.066 1.670 3.293 297 1HD1 LEU 35 HD11 LEU 35 7.402 2.464 3.239 298 2HD1 LEU 35 HD12 LEU 35 7.706 1.622 4.757 299 3HD1 LEU 35 HD13 LEU 35 6.540 2.941 4.698 300 1HD2 LEU 35 HD21 LEU 35 5.508 -0.434 2.373 301 2HD2 LEU 35 HD22 LEU 35 6.886 -0.723 3.439 302 3HD2 LEU 35 HD23 LEU 35 7.003 0.470 2.140 303 H SER 36 HN SER 36 5.319 -0.164 8.537 304 HA SER 36 HA SER 36 2.516 -0.433 8.747 305 1HB SER 36 HB2 SER 36 2.959 -1.292 11.026 306 2HB SER 36 HB1 SER 36 4.029 -2.025 9.832 307 HG SER 36 HG SER 36 5.695 -0.788 10.561 308 H GLY 37 HN GLY 37 4.832 1.696 10.402 309 1HA GLY 37 HA2 GLY 37 3.108 2.969 12.162 310 2HA GLY 37 HA1 GLY 37 4.532 3.716 11.454 311 H THR 38 HN THR 38 3.112 3.087 8.765 312 HA THR 38 HA THR 38 1.429 5.498 8.786 313 HB THR 38 HB THR 38 2.917 4.321 6.424 314 HG1 THR 38 HG1 THR 38 4.573 5.486 7.048 315 1HG2 THR 38 HG21 THR 38 0.763 5.866 6.262 316 2HG2 THR 38 HG22 THR 38 2.131 6.060 5.164 317 3HG2 THR 38 HG23 THR 38 1.956 7.134 6.552 318 HA PRO 39 HA PRO 39 -1.946 2.674 7.847 319 1HB PRO 39 HB2 PRO 39 -3.784 4.546 7.169 320 2HB PRO 39 HB1 PRO 39 -3.323 4.233 8.844 321 1HG PRO 39 HG2 PRO 39 -2.276 6.324 6.974 322 2HG PRO 39 HG1 PRO 39 -2.879 6.536 8.629 323 1HD PRO 39 HD2 PRO 39 -0.269 6.400 8.178 324 2HD PRO 39 HD1 PRO 39 -0.973 5.534 9.564 325 H TRP 40 HN TRP 40 -3.652 2.568 5.957 326 HA TRP 40 HA TRP 40 -2.147 2.460 3.540 327 1HB TRP 40 HB2 TRP 40 -4.189 1.674 2.464 328 2HB TRP 40 HB1 TRP 40 -3.921 0.822 3.974 329 HD1 TRP 40 HD1 TRP 40 -5.588 1.506 6.051 330 HE1 TRP 40 HE1 TRP 40 -8.027 2.328 5.996 331 HE3 TRP 40 HE3 TRP 40 -5.842 3.053 1.167 332 HZ2 TRP 40 HZ2 TRP 40 -9.804 3.495 4.164 333 HZ3 TRP 40 HZ3 TRP 40 -7.960 4.034 0.362 334 HH2 TRP 40 HH2 TRP 40 -9.894 4.236 1.832 335 H ILE 41 HN ILE 41 -4.868 4.457 4.650 336 HA ILE 41 HA ILE 41 -5.278 5.998 2.415 337 HB ILE 41 HB ILE 41 -6.487 6.049 4.705 338 1HG1 ILE 41 HG12 ILE 41 -6.811 8.716 4.153 339 2HG1 ILE 41 HG11 ILE 41 -6.143 8.112 2.638 340 1HG2 ILE 41 HG21 ILE 41 -4.682 8.406 5.173 341 2HG2 ILE 41 HG22 ILE 41 -4.368 6.823 5.882 342 3HG2 ILE 41 HG23 ILE 41 -5.856 7.686 6.276 343 1HD1 ILE 41 HD11 ILE 41 -8.658 7.239 4.027 344 2HD1 ILE 41 HD12 ILE 41 -7.935 6.347 2.687 345 3HD1 ILE 41 HD13 ILE 41 -8.491 8.004 2.445 346 H GLU 42 HN GLU 42 -2.572 6.035 4.569 347 HA GLU 42 HA GLU 42 -1.592 8.538 3.388 348 1HB GLU 42 HB2 GLU 42 -0.721 6.969 5.811 349 2HB GLU 42 HB1 GLU 42 0.219 8.302 5.155 350 1HG GLU 42 HG2 GLU 42 -1.892 9.700 5.415 351 2HG GLU 42 HG1 GLU 42 -2.503 8.373 6.402 352 H LEU 43 HN LEU 43 -0.899 5.139 3.764 353 HA LEU 43 HA LEU 43 1.642 4.976 2.639 354 1HB LEU 43 HB2 LEU 43 -0.432 3.207 3.380 355 2HB LEU 43 HB1 LEU 43 0.018 2.791 1.743 356 HG LEU 43 HG LEU 43 1.247 1.426 3.326 357 1HD1 LEU 43 HD11 LEU 43 3.558 2.002 2.623 358 2HD1 LEU 43 HD12 LEU 43 2.921 3.493 1.931 359 3HD1 LEU 43 HD13 LEU 43 2.398 1.934 1.297 360 1HD2 LEU 43 HD21 LEU 43 2.179 2.183 5.204 361 2HD2 LEU 43 HD22 LEU 43 1.243 3.651 4.918 362 3HD2 LEU 43 HD23 LEU 43 2.921 3.557 4.386 363 H ILE 44 HN ILE 44 -1.476 4.398 1.110 364 HA ILE 44 HA ILE 44 -0.658 4.298 -1.528 365 HB ILE 44 HB ILE 44 -2.980 4.626 -2.104 366 1HG1 ILE 44 HG12 ILE 44 -3.451 5.337 0.794 367 2HG1 ILE 44 HG11 ILE 44 -3.338 6.530 -0.479 368 1HG2 ILE 44 HG21 ILE 44 -3.965 2.930 -0.496 369 2HG2 ILE 44 HG22 ILE 44 -2.431 3.004 0.367 370 3HG2 ILE 44 HG23 ILE 44 -2.476 2.458 -1.311 371 1HD1 ILE 44 HD11 ILE 44 -5.638 5.605 0.357 372 2HD1 ILE 44 HD12 ILE 44 -5.279 4.314 -0.788 373 3HD1 ILE 44 HD13 ILE 44 -5.369 5.983 -1.341 374 H TYR 45 HN TYR 45 -0.575 6.926 0.535 375 HA TYR 45 HA TYR 45 -0.833 8.869 -1.655 376 1HB TYR 45 HB2 TYR 45 -1.192 9.030 1.297 377 2HB TYR 45 HB1 TYR 45 -0.623 10.468 0.463 378 HD1 TYR 45 HD1 TYR 45 -2.909 8.166 -1.266 379 HD2 TYR 45 HD2 TYR 45 -2.624 11.687 1.120 380 HE1 TYR 45 HE1 TYR 45 -5.233 8.745 -1.842 381 HE2 TYR 45 HE2 TYR 45 -4.939 12.269 0.543 382 HH TYR 45 HH TYR 45 -7.068 10.082 -0.955 383 H LEU 46 HN LEU 46 1.482 7.267 0.271 384 HA LEU 46 HA LEU 46 3.517 9.196 0.438 385 1HB LEU 46 HB2 LEU 46 3.883 6.226 0.061 386 2HB LEU 46 HB1 LEU 46 5.057 7.342 0.703 387 HG LEU 46 HG LEU 46 2.530 6.398 2.035 388 1HD1 LEU 46 HD11 LEU 46 4.173 5.655 3.754 389 2HD1 LEU 46 HD12 LEU 46 5.470 6.135 2.652 390 3HD1 LEU 46 HD13 LEU 46 4.350 4.845 2.196 391 1HD2 LEU 46 HD21 LEU 46 3.652 8.941 2.310 392 2HD2 LEU 46 HD22 LEU 46 4.247 8.018 3.691 393 3HD2 LEU 46 HD23 LEU 46 2.512 8.156 3.403 394 H ASP 47 HN ASP 47 5.741 8.242 -0.742 395 HA ASP 47 HA ASP 47 5.284 7.823 -3.573 396 1HB ASP 47 HB2 ASP 47 6.780 10.284 -2.636 397 2HB ASP 47 HB1 ASP 47 6.546 9.780 -4.305 398 H ASP 48 HN ASP 48 7.390 7.590 -4.743 399 HA ASP 48 HA ASP 48 8.949 5.602 -3.724 400 1HB ASP 48 HB2 ASP 48 9.383 5.928 -5.957 401 2HB ASP 48 HB1 ASP 48 9.381 7.681 -5.812 402 H GLU 49 HN GLU 49 9.503 9.065 -3.459 403 HA GLU 49 HA GLU 49 11.948 8.965 -2.090 404 1HB GLU 49 HB2 GLU 49 11.094 11.039 -3.055 405 2HB GLU 49 HB1 GLU 49 9.772 11.048 -1.897 406 1HG GLU 49 HG2 GLU 49 11.382 11.286 -0.059 407 2HG GLU 49 HG1 GLU 49 12.699 11.292 -1.234 408 H THR 50 HN THR 50 8.692 9.496 -0.698 409 HA THR 50 HA THR 50 9.350 9.511 1.964 410 HB THR 50 HB THR 50 6.861 8.240 0.821 411 HG1 THR 50 HG1 THR 50 7.737 10.763 0.663 412 1HG2 THR 50 HG21 THR 50 7.244 7.822 3.218 413 2HG2 THR 50 HG22 THR 50 5.847 8.867 2.942 414 3HG2 THR 50 HG23 THR 50 7.372 9.563 3.487 415 H LEU 51 HN LEU 51 8.365 6.639 0.089 416 HA LEU 51 HA LEU 51 8.555 4.697 1.997 417 1HB LEU 51 HB2 LEU 51 9.162 4.738 -0.938 418 2HB LEU 51 HB1 LEU 51 9.317 3.258 -0.012 419 HG LEU 51 HG LEU 51 6.934 3.557 0.697 420 1HD1 LEU 51 HD11 LEU 51 6.898 6.010 0.125 421 2HD1 LEU 51 HD12 LEU 51 5.503 5.059 -0.374 422 3HD1 LEU 51 HD13 LEU 51 6.729 5.508 -1.557 423 1HD2 LEU 51 HD21 LEU 51 7.187 1.930 -0.902 424 2HD2 LEU 51 HD22 LEU 51 7.795 3.062 -2.105 425 3HD2 LEU 51 HD23 LEU 51 6.076 3.040 -1.707 426 H GLU 52 HN GLU 52 11.192 6.175 0.153 427 HA GLU 52 HA GLU 52 13.248 4.474 1.115 428 1HB GLU 52 HB2 GLU 52 13.295 6.166 -0.840 429 2HB GLU 52 HB1 GLU 52 13.633 7.376 0.393 430 1HG GLU 52 HG2 GLU 52 15.632 6.132 1.058 431 2HG GLU 52 HG1 GLU 52 15.302 4.939 -0.197 432 H LYS 53 HN LYS 53 11.882 7.512 2.120 433 HA LYS 53 HA LYS 53 13.582 8.104 4.265 434 1HB LYS 53 HB2 LYS 53 10.656 8.808 4.153 435 2HB LYS 53 HB1 LYS 53 11.956 9.700 4.932 436 1HG LYS 53 HG2 LYS 53 11.984 9.228 1.987 437 2HG LYS 53 HG1 LYS 53 11.043 10.548 2.680 438 1HD LYS 53 HD2 LYS 53 13.961 10.147 3.286 439 2HD LYS 53 HD1 LYS 53 13.405 11.091 1.900 440 1HE LYS 53 HE2 LYS 53 12.196 11.687 4.524 441 2HE LYS 53 HE1 LYS 53 13.875 12.177 4.292 442 1HZ LYS 53 HZ1 LYS 53 12.313 13.933 3.684 443 2HZ LYS 53 HZ2 LYS 53 11.603 12.924 2.528 444 3HZ LYS 53 HZ3 LYS 53 13.209 13.423 2.342 445 H LYS 54 HN LYS 54 10.888 5.894 4.000 446 HA LYS 54 HA LYS 54 10.586 5.488 6.840 447 1HB LYS 54 HB2 LYS 54 9.666 3.392 4.957 448 2HB LYS 54 HB1 LYS 54 8.824 4.115 6.311 449 1HG LYS 54 HG2 LYS 54 9.252 5.473 3.667 450 2HG LYS 54 HG1 LYS 54 7.810 4.556 4.076 451 1HD LYS 54 HD2 LYS 54 8.789 7.005 5.536 452 2HD LYS 54 HD1 LYS 54 7.510 6.966 4.347 453 1HE LYS 54 HE2 LYS 54 6.314 6.895 6.293 454 2HE LYS 54 HE1 LYS 54 6.441 5.190 5.872 455 1HZ LYS 54 HZ1 LYS 54 8.281 4.979 7.427 456 2HZ LYS 54 HZ2 LYS 54 6.905 5.563 8.214 457 3HZ LYS 54 HZ3 LYS 54 8.168 6.619 7.823 458 H GLY 55 HN GLY 55 11.638 3.459 4.152 459 1HA GLY 55 HA2 GLY 55 14.016 2.527 5.232 460 2HA GLY 55 HA1 GLY 55 12.761 1.395 5.724 461 H VAL 56 HN VAL 56 11.349 2.237 3.132 462 HA VAL 56 HA VAL 56 12.241 0.077 1.512 463 HB VAL 56 HB VAL 56 10.541 2.342 0.509 464 1HG1 VAL 56 HG11 VAL 56 9.956 -0.532 0.046 465 2HG1 VAL 56 HG12 VAL 56 11.308 0.200 -0.808 466 3HG1 VAL 56 HG13 VAL 56 9.687 0.859 -0.999 467 1HG2 VAL 56 HG21 VAL 56 8.627 0.791 1.464 468 2HG2 VAL 56 HG22 VAL 56 9.353 2.064 2.443 469 3HG2 VAL 56 HG23 VAL 56 9.873 0.392 2.647 470 H LEU 57 HN LEU 57 14.458 0.569 1.215 471 HA LEU 57 HA LEU 57 15.224 3.000 -0.152 472 1HB LEU 57 HB2 LEU 57 16.638 0.688 1.081 473 2HB LEU 57 HB1 LEU 57 17.505 1.684 -0.072 474 HG LEU 57 HG LEU 57 17.658 3.460 1.362 475 1HD1 LEU 57 HD11 LEU 57 16.032 3.794 3.284 476 2HD1 LEU 57 HD12 LEU 57 15.046 2.543 2.528 477 3HD1 LEU 57 HD13 LEU 57 15.396 4.033 1.658 478 1HD2 LEU 57 HD21 LEU 57 18.580 1.336 2.418 479 2HD2 LEU 57 HD22 LEU 57 17.160 1.379 3.467 480 3HD2 LEU 57 HD23 LEU 57 18.313 2.714 3.485 481 H ALA 58 HN ALA 58 14.525 -0.283 -0.999 482 HA ALA 58 HA ALA 58 16.014 -0.505 -3.378 483 1HB ALA 58 HB1 ALA 58 14.955 -2.478 -3.672 484 2HB ALA 58 HB2 ALA 58 13.376 -1.805 -3.264 485 3HB ALA 58 HB3 ALA 58 14.518 -2.219 -1.981 486 H LEU 59 HN LEU 59 15.927 0.898 -4.989 487 HA LEU 59 HA LEU 59 13.858 2.598 -5.658 488 1HB LEU 59 HB2 LEU 59 16.164 1.426 -7.125 489 2HB LEU 59 HB1 LEU 59 14.892 2.131 -8.102 490 HG LEU 59 HG LEU 59 16.711 3.718 -7.683 491 1HD1 LEU 59 HD11 LEU 59 15.296 5.563 -6.799 492 2HD1 LEU 59 HD12 LEU 59 14.070 4.360 -6.392 493 3HD1 LEU 59 HD13 LEU 59 14.529 4.618 -8.076 494 1HD2 LEU 59 HD21 LEU 59 17.099 4.601 -5.452 495 2HD2 LEU 59 HD22 LEU 59 17.400 2.865 -5.486 496 3HD2 LEU 59 HD23 LEU 59 15.907 3.486 -4.784 497 H GLY 60 HN GLY 60 14.342 -0.766 -6.310 498 1HA GLY 60 HA2 GLY 60 12.266 -1.016 -8.244 499 2HA GLY 60 HA1 GLY 60 13.086 -2.332 -7.429 500 H ALA 61 HN ALA 61 12.496 -1.607 -4.770 501 HA ALA 61 HA ALA 61 9.884 -2.738 -4.549 502 1HB ALA 61 HB1 ALA 61 10.413 -3.172 -2.410 503 2HB ALA 61 HB2 ALA 61 11.133 -1.586 -2.144 504 3HB ALA 61 HB3 ALA 61 12.045 -2.840 -2.986 505 H ARG 62 HN ARG 62 11.192 0.473 -3.612 506 HA ARG 62 HA ARG 62 8.714 1.391 -2.636 507 1HB ARG 62 HB2 ARG 62 9.734 3.614 -2.613 508 2HB ARG 62 HB1 ARG 62 10.769 2.404 -1.904 509 1HG ARG 62 HG2 ARG 62 11.990 2.324 -4.109 510 2HG ARG 62 HG1 ARG 62 11.082 3.775 -4.543 511 1HD ARG 62 HD2 ARG 62 11.948 4.876 -2.497 512 2HD ARG 62 HD1 ARG 62 12.916 3.444 -2.173 513 HE ARG 62 HE ARG 62 13.962 3.972 -4.435 514 1HH1 ARG 62 HH11 ARG 62 12.655 6.409 -2.319 515 2HH1 ARG 62 HH12 ARG 62 13.754 7.640 -2.843 516 1HH2 ARG 62 HH21 ARG 62 15.434 5.594 -5.110 517 2HH2 ARG 62 HH22 ARG 62 15.327 7.178 -4.423 518 H ARG 63 HN ARG 63 10.408 2.347 -5.612 519 HA ARG 63 HA ARG 63 8.428 3.887 -6.729 520 1HB ARG 63 HB2 ARG 63 10.380 2.022 -8.075 521 2HB ARG 63 HB1 ARG 63 9.340 3.115 -8.969 522 1HG ARG 63 HG2 ARG 63 10.382 5.023 -7.972 523 2HG ARG 63 HG1 ARG 63 11.311 3.999 -6.877 524 1HD ARG 63 HD2 ARG 63 12.588 4.867 -8.849 525 2HD ARG 63 HD1 ARG 63 12.601 3.114 -8.669 526 HE ARG 63 HE ARG 63 10.530 4.087 -10.410 527 1HH1 ARG 63 HH11 ARG 63 13.862 3.090 -10.195 528 2HH1 ARG 63 HH12 ARG 63 13.981 2.674 -11.871 529 1HH2 ARG 63 HH21 ARG 63 10.679 3.541 -12.622 530 2HH2 ARG 63 HH22 ARG 63 12.172 2.930 -13.250 531 H LYS 64 HN LYS 64 8.553 0.458 -6.281 532 HA LYS 64 HA LYS 64 6.537 -0.265 -8.185 533 1HB LYS 64 HB2 LYS 64 8.184 -1.592 -6.181 534 2HB LYS 64 HB1 LYS 64 6.543 -2.226 -6.220 535 1HG LYS 64 HG2 LYS 64 6.752 -2.701 -8.592 536 2HG LYS 64 HG1 LYS 64 8.377 -2.016 -8.601 537 1HD LYS 64 HD2 LYS 64 8.474 -4.447 -8.500 538 2HD LYS 64 HD1 LYS 64 9.103 -3.742 -7.011 539 1HE LYS 64 HE2 LYS 64 7.666 -5.664 -6.549 540 2HE LYS 64 HE1 LYS 64 6.983 -4.179 -5.892 541 1HZ LYS 64 HZ1 LYS 64 5.524 -4.057 -7.831 542 2HZ LYS 64 HZ2 LYS 64 5.285 -5.490 -6.966 543 3HZ LYS 64 HZ3 LYS 64 6.158 -5.514 -8.414 544 H LEU 65 HN LEU 65 6.551 0.260 -4.683 545 HA LEU 65 HA LEU 65 3.908 -0.413 -4.176 546 1HB LEU 65 HB2 LEU 65 5.961 1.226 -2.842 547 2HB LEU 65 HB1 LEU 65 4.301 1.528 -2.361 548 HG LEU 65 HG LEU 65 5.014 -1.312 -2.454 549 1HD1 LEU 65 HD11 LEU 65 6.299 0.477 -0.402 550 2HD1 LEU 65 HD12 LEU 65 7.139 -0.370 -1.702 551 3HD1 LEU 65 HD13 LEU 65 6.333 -1.287 -0.426 552 1HD2 LEU 65 HD21 LEU 65 3.886 -1.239 -0.251 553 2HD2 LEU 65 HD22 LEU 65 2.910 -0.582 -1.563 554 3HD2 LEU 65 HD23 LEU 65 3.717 0.507 -0.433 555 H LEU 66 HN LEU 66 5.262 2.413 -5.657 556 HA LEU 66 HA LEU 66 3.154 4.219 -5.286 557 1HB LEU 66 HB2 LEU 66 5.307 3.910 -7.329 558 2HB LEU 66 HB1 LEU 66 4.011 5.051 -7.637 559 HG LEU 66 HG LEU 66 5.359 5.224 -4.997 560 1HD1 LEU 66 HD11 LEU 66 6.692 5.735 -7.608 561 2HD1 LEU 66 HD12 LEU 66 7.360 5.111 -6.096 562 3HD1 LEU 66 HD13 LEU 66 6.999 6.830 -6.260 563 1HD2 LEU 66 HD21 LEU 66 5.015 7.621 -5.402 564 2HD2 LEU 66 HD22 LEU 66 3.516 6.702 -5.542 565 3HD2 LEU 66 HD23 LEU 66 4.355 7.247 -6.995 566 H LYS 67 HN LYS 67 3.437 1.410 -7.242 567 HA LYS 67 HA LYS 67 1.276 2.040 -9.029 568 1HB LYS 67 HB2 LYS 67 3.276 0.354 -9.335 569 2HB LYS 67 HB1 LYS 67 2.233 -0.736 -8.441 570 1HG LYS 67 HG2 LYS 67 2.215 -0.844 -10.993 571 2HG LYS 67 HG1 LYS 67 0.688 -0.891 -10.132 572 1HD LYS 67 HD2 LYS 67 1.657 1.780 -10.933 573 2HD LYS 67 HD1 LYS 67 1.146 0.699 -12.239 574 1HE LYS 67 HE2 LYS 67 -0.584 0.681 -9.914 575 2HE LYS 67 HE1 LYS 67 -0.527 2.248 -10.731 576 1HZ LYS 67 HZ1 LYS 67 -2.295 0.833 -11.609 577 2HZ LYS 67 HZ2 LYS 67 -1.165 -0.356 -12.023 578 3HZ LYS 67 HZ3 LYS 67 -1.132 1.148 -12.797 579 H ALA 68 HN ALA 68 1.804 0.192 -6.095 580 HA ALA 68 HA ALA 68 -0.852 -0.834 -5.891 581 1HB ALA 68 HB1 ALA 68 -0.166 -1.443 -3.580 582 2HB ALA 68 HB2 ALA 68 1.360 -0.594 -3.844 583 3HB ALA 68 HB3 ALA 68 0.953 -2.010 -4.818 584 H PHE 69 HN PHE 69 0.679 2.130 -5.102 585 HA PHE 69 HA PHE 69 -1.042 3.012 -3.034 586 1HB PHE 69 HB2 PHE 69 0.803 4.435 -4.945 587 2HB PHE 69 HB1 PHE 69 -0.138 5.294 -3.741 588 HD1 PHE 69 HD1 PHE 69 0.508 2.407 -2.064 589 HD2 PHE 69 HD2 PHE 69 2.595 5.774 -3.625 590 HE1 PHE 69 HE1 PHE 69 2.299 2.064 -0.418 591 HE2 PHE 69 HE2 PHE 69 4.384 5.430 -1.979 592 HZ PHE 69 HZ PHE 69 4.236 3.573 -0.364 593 H GLY 70 HN GLY 70 -1.055 3.446 -6.555 594 1HA GLY 70 HA2 GLY 70 -3.272 5.258 -6.522 595 2HA GLY 70 HA1 GLY 70 -2.585 4.492 -7.941 596 H ILE 71 HN ILE 71 -2.970 1.809 -7.276 597 HA ILE 71 HA ILE 71 -5.553 1.347 -8.176 598 HB ILE 71 HB ILE 71 -3.909 -0.536 -6.478 599 1HG1 ILE 71 HG12 ILE 71 -3.948 -0.544 -9.477 600 2HG1 ILE 71 HG11 ILE 71 -2.866 0.550 -8.618 601 1HG2 ILE 71 HG21 ILE 71 -5.976 -1.155 -8.580 602 2HG2 ILE 71 HG22 ILE 71 -6.295 -1.139 -6.847 603 3HG2 ILE 71 HG23 ILE 71 -5.150 -2.299 -7.521 604 1HD1 ILE 71 HD11 ILE 71 -2.927 -2.429 -8.220 605 2HD1 ILE 71 HD12 ILE 71 -1.758 -1.283 -7.560 606 3HD1 ILE 71 HD13 ILE 71 -1.817 -1.583 -9.297 607 H VAL 72 HN VAL 72 -4.325 1.618 -4.893 608 HA VAL 72 HA VAL 72 -6.735 0.741 -3.619 609 HB VAL 72 HB VAL 72 -4.489 2.423 -2.496 610 1HG1 VAL 72 HG11 VAL 72 -5.297 1.791 -0.313 611 2HG1 VAL 72 HG12 VAL 72 -6.576 0.818 -1.025 612 3HG1 VAL 72 HG13 VAL 72 -6.594 2.568 -1.216 613 1HG2 VAL 72 HG21 VAL 72 -3.819 0.182 -3.382 614 2HG2 VAL 72 HG22 VAL 72 -4.899 -0.549 -2.200 615 3HG2 VAL 72 HG23 VAL 72 -3.524 0.410 -1.660 616 H ILE 73 HN ILE 73 -5.279 3.894 -4.287 617 HA ILE 73 HA ILE 73 -7.098 5.576 -3.047 618 HB ILE 73 HB ILE 73 -5.367 5.890 -5.484 619 1HG1 ILE 73 HG12 ILE 73 -5.318 7.309 -2.817 620 2HG1 ILE 73 HG11 ILE 73 -4.421 5.833 -3.150 621 1HG2 ILE 73 HG21 ILE 73 -5.990 8.426 -5.073 622 2HG2 ILE 73 HG22 ILE 73 -7.500 7.705 -4.518 623 3HG2 ILE 73 HG23 ILE 73 -6.933 7.404 -6.157 624 1HD1 ILE 73 HD11 ILE 73 -4.056 8.209 -4.913 625 2HD1 ILE 73 HD12 ILE 73 -2.938 6.893 -4.545 626 3HD1 ILE 73 HD13 ILE 73 -3.259 8.140 -3.342 627 H ASP 74 HN ASP 74 -7.185 4.423 -6.394 628 HA ASP 74 HA ASP 74 -9.557 5.745 -7.148 629 1HB ASP 74 HB2 ASP 74 -7.735 4.525 -8.597 630 2HB ASP 74 HB1 ASP 74 -8.748 3.109 -8.352 631 H TYR 75 HN TYR 75 -9.123 2.251 -6.397 632 HA TYR 75 HA TYR 75 -11.834 1.609 -6.386 633 1HB TYR 75 HB2 TYR 75 -9.474 0.407 -4.948 634 2HB TYR 75 HB1 TYR 75 -11.092 -0.280 -4.826 635 HD1 TYR 75 HD1 TYR 75 -12.096 0.115 -7.568 636 HD2 TYR 75 HD2 TYR 75 -8.271 -1.168 -6.221 637 HE1 TYR 75 HE1 TYR 75 -11.761 -1.077 -9.689 638 HE2 TYR 75 HE2 TYR 75 -7.925 -2.363 -8.343 639 HH TYR 75 HH TYR 75 -9.270 -3.334 -10.153 640 H LYS 76 HN LYS 76 -9.824 3.114 -4.011 641 HA LYS 76 HA LYS 76 -11.558 3.008 -1.788 642 1HB LYS 76 HB2 LYS 76 -9.225 3.662 -1.549 643 2HB LYS 76 HB1 LYS 76 -9.452 5.003 -2.642 644 1HG LYS 76 HG2 LYS 76 -11.291 5.562 -0.734 645 2HG LYS 76 HG1 LYS 76 -9.973 4.843 0.198 646 1HD LYS 76 HD2 LYS 76 -9.716 7.103 -1.780 647 2HD LYS 76 HD1 LYS 76 -9.696 7.248 -0.040 648 1HE LYS 76 HE2 LYS 76 -7.660 6.013 0.130 649 2HE LYS 76 HE1 LYS 76 -7.717 5.634 -1.589 650 1HZ LYS 76 HZ1 LYS 76 -7.467 8.376 -0.483 651 2HZ LYS 76 HZ2 LYS 76 -7.387 7.936 -2.115 652 3HZ LYS 76 HZ3 LYS 76 -6.171 7.446 -1.047 653 H GLU 77 HN GLU 77 -11.025 5.324 -4.359 654 HA GLU 77 HA GLU 77 -12.998 7.191 -3.650 655 1HB GLU 77 HB2 GLU 77 -11.396 6.607 -6.122 656 2HB GLU 77 HB1 GLU 77 -12.548 7.924 -6.073 657 1HG GLU 77 HG2 GLU 77 -11.298 8.661 -3.964 658 2HG GLU 77 HG1 GLU 77 -10.036 7.571 -4.499 659 H ARG 78 HN ARG 78 -13.162 4.164 -5.320 660 HA ARG 78 HA ARG 78 -15.718 4.824 -6.566 661 1HB ARG 78 HB2 ARG 78 -13.944 2.391 -6.678 662 2HB ARG 78 HB1 ARG 78 -15.548 2.431 -7.392 663 1HG ARG 78 HG2 ARG 78 -14.816 4.370 -8.769 664 2HG ARG 78 HG1 ARG 78 -13.185 4.136 -8.135 665 1HD ARG 78 HD2 ARG 78 -13.223 1.824 -9.018 666 2HD ARG 78 HD1 ARG 78 -14.801 2.153 -9.733 667 HE ARG 78 HE ARG 78 -12.395 3.677 -10.477 668 1HH1 ARG 78 HH11 ARG 78 -15.243 1.859 -11.325 669 2HH1 ARG 78 HH12 ARG 78 -15.071 2.139 -13.026 670 1HH2 ARG 78 HH21 ARG 78 -12.160 4.049 -12.714 671 2HH2 ARG 78 HH22 ARG 78 -13.319 3.382 -13.816 672 H ASP 79 HN ASP 79 -15.061 4.363 -3.575 673 HA ASP 79 HA ASP 79 -16.103 3.513 -1.741 674 1HB ASP 79 HB2 ASP 79 -18.082 4.550 -2.910 675 2HB ASP 79 HB1 ASP 79 -18.431 2.967 -3.597 676 H LEU 80 HN LEU 80 -14.606 1.788 -3.650 677 HA LEU 80 HA LEU 80 -15.872 -0.800 -3.458 678 1HB LEU 80 HB2 LEU 80 -13.727 0.372 -4.974 679 2HB LEU 80 HB1 LEU 80 -13.181 -1.112 -4.229 680 HG LEU 80 HG LEU 80 -15.532 -1.959 -5.232 681 1HD1 LEU 80 HD11 LEU 80 -15.879 -1.003 -7.428 682 2HD1 LEU 80 HD12 LEU 80 -14.548 0.128 -7.169 683 3HD1 LEU 80 HD13 LEU 80 -16.018 0.255 -6.199 684 1HD2 LEU 80 HD21 LEU 80 -13.288 -2.934 -5.569 685 2HD2 LEU 80 HD22 LEU 80 -12.991 -1.721 -6.813 686 3HD2 LEU 80 HD23 LEU 80 -14.261 -2.922 -7.043 687 H ILE 81 HN ILE 81 -13.904 1.142 -1.532 688 HA ILE 81 HA ILE 81 -12.945 -1.151 0.048 689 HB ILE 81 HB ILE 81 -12.044 1.734 0.090 690 1HG1 ILE 81 HG12 ILE 81 -10.667 -0.779 -0.882 691 2HG1 ILE 81 HG11 ILE 81 -11.302 0.508 -1.901 692 1HG2 ILE 81 HG21 ILE 81 -10.925 -0.624 1.610 693 2HG2 ILE 81 HG22 ILE 81 -11.946 0.632 2.314 694 3HG2 ILE 81 HG23 ILE 81 -10.353 1.042 1.677 695 1HD1 ILE 81 HD11 ILE 81 -9.008 0.705 0.035 696 2HD1 ILE 81 HD12 ILE 81 -9.682 2.060 -0.867 697 3HD1 ILE 81 HD13 ILE 81 -8.921 0.722 -1.726 698 H ASP 82 HN ASP 82 -13.686 -1.466 2.077 699 HA ASP 82 HA ASP 82 -16.042 -0.264 2.953 700 1HB ASP 82 HB2 ASP 82 -14.867 -2.481 3.693 701 2HB ASP 82 HB1 ASP 82 -14.088 -1.448 4.891 702 H ARG 83 HN ARG 83 -16.470 1.544 4.058 703 HA ARG 83 HA ARG 83 -14.535 3.535 4.364 704 1HB ARG 83 HB2 ARG 83 -17.151 3.411 5.852 705 2HB ARG 83 HB1 ARG 83 -16.229 4.847 5.427 706 1HG ARG 83 HG2 ARG 83 -17.639 2.996 3.528 707 2HG ARG 83 HG1 ARG 83 -18.137 4.630 3.967 708 1HD ARG 83 HD2 ARG 83 -15.740 3.769 2.360 709 2HD ARG 83 HD1 ARG 83 -17.091 4.776 1.843 710 HE ARG 83 HE ARG 83 -14.718 5.655 3.101 711 1HH1 ARG 83 HH11 ARG 83 -18.154 6.241 3.033 712 2HH1 ARG 83 HH12 ARG 83 -18.010 7.901 3.506 713 1HH2 ARG 83 HH21 ARG 83 -14.521 7.840 3.721 714 2HH2 ARG 83 HH22 ARG 83 -15.945 8.811 3.893 715 H SER 84 HN SER 84 -15.146 0.817 6.241 716 HA SER 84 HA SER 84 -14.521 1.799 8.825 717 1HB SER 84 HB2 SER 84 -15.637 -0.395 8.379 718 2HB SER 84 HB1 SER 84 -14.101 -1.006 7.764 719 HG SER 84 HG SER 84 -13.704 0.115 10.157 720 H ALA 85 HN ALA 85 -12.599 0.566 6.150 721 HA ALA 85 HA ALA 85 -10.128 0.330 7.471 722 1HB ALA 85 HB1 ALA 85 -9.140 0.609 5.188 723 2HB ALA 85 HB2 ALA 85 -10.763 0.945 4.583 724 3HB ALA 85 HB3 ALA 85 -10.391 -0.624 5.290 725 H TYR 86 HN TYR 86 -11.652 2.993 5.760 726 HA TYR 86 HA TYR 86 -9.758 4.923 5.643 727 1HB TYR 86 HB2 TYR 86 -12.646 5.201 6.469 728 2HB TYR 86 HB1 TYR 86 -11.607 6.587 6.191 729 HD1 TYR 86 HD1 TYR 86 -12.141 3.383 4.357 730 HD2 TYR 86 HD2 TYR 86 -12.156 7.627 4.214 731 HE1 TYR 86 HE1 TYR 86 -12.698 3.287 1.966 732 HE2 TYR 86 HE2 TYR 86 -12.714 7.551 1.820 733 HH TYR 86 HH TYR 86 -13.767 4.733 0.273 Start of MODEL 14 1 1H SER 1 HT1 SER 1 11.889 -12.848 -6.125 2 2H SER 1 HT2 SER 1 10.916 -13.620 -7.273 3 3H SER 1 HT3 SER 1 10.242 -13.087 -5.816 4 HA SER 1 HA SER 1 10.656 -10.802 -6.403 5 1HB SER 1 HB2 SER 1 11.676 -11.973 -9.005 6 2HB SER 1 HB1 SER 1 11.455 -10.255 -8.673 7 HG SER 1 HG SER 1 12.967 -10.599 -6.888 8 H ASN 2 HN ASN 2 8.390 -11.374 -6.013 9 HA ASN 2 HA ASN 2 6.851 -11.134 -8.486 10 1HB ASN 2 HB2 ASN 2 6.871 -13.541 -7.926 11 2HB ASN 2 HB1 ASN 2 6.213 -13.167 -6.336 12 1HD2 ASN 2 HD21 ASN 2 4.363 -14.362 -6.648 13 2HD2 ASN 2 HD22 ASN 2 3.106 -13.876 -7.729 14 H SER 3 HN SER 3 7.035 -8.926 -7.359 15 HA SER 3 HA SER 3 5.202 -8.575 -5.132 16 1HB SER 3 HB2 SER 3 6.816 -6.529 -6.677 17 2HB SER 3 HB1 SER 3 5.910 -6.220 -5.195 18 HG SER 3 HG SER 3 7.776 -6.693 -4.322 19 H SER 4 HN SER 4 3.312 -9.301 -6.304 20 HA SER 4 HA SER 4 2.356 -7.603 -8.462 21 1HB SER 4 HB2 SER 4 0.464 -9.196 -8.566 22 2HB SER 4 HB1 SER 4 2.023 -10.011 -8.676 23 HG SER 4 HG SER 4 0.933 -11.168 -7.195 24 H MET 5 HN MET 5 0.626 -6.246 -8.366 25 HA MET 5 HA MET 5 -0.204 -5.409 -5.698 26 1HB MET 5 HB2 MET 5 -0.355 -4.164 -8.427 27 2HB MET 5 HB1 MET 5 -1.310 -3.531 -7.094 28 1HG MET 5 HG2 MET 5 0.807 -2.329 -7.425 29 2HG MET 5 HG1 MET 5 0.672 -3.057 -5.825 30 1HE MET 5 HE1 MET 5 4.317 -3.609 -5.902 31 2HE MET 5 HE2 MET 5 2.946 -2.619 -5.393 32 3HE MET 5 HE3 MET 5 3.795 -2.247 -6.894 33 H ASN 6 HN ASN 6 -1.601 -7.199 -5.260 34 HA ASN 6 HA ASN 6 -3.780 -7.910 -6.936 35 1HB ASN 6 HB2 ASN 6 -3.436 -8.382 -3.964 36 2HB ASN 6 HB1 ASN 6 -4.562 -9.223 -5.028 37 1HD2 ASN 6 HD21 ASN 6 -3.778 -10.727 -6.508 38 2HD2 ASN 6 HD22 ASN 6 -2.194 -11.405 -6.371 39 HA PRO 7 HA PRO 7 -6.156 -4.185 -5.843 40 1HB PRO 7 HB2 PRO 7 -8.150 -5.463 -7.613 41 2HB PRO 7 HB1 PRO 7 -7.439 -3.849 -7.691 42 1HG PRO 7 HG2 PRO 7 -6.759 -5.743 -9.449 43 2HG PRO 7 HG1 PRO 7 -5.570 -4.577 -8.839 44 1HD PRO 7 HD2 PRO 7 -6.005 -7.430 -8.050 45 2HD PRO 7 HD1 PRO 7 -4.485 -6.551 -8.293 46 H LYS 8 HN LYS 8 -6.789 -7.493 -5.328 47 HA LYS 8 HA LYS 8 -9.352 -7.141 -4.066 48 1HB LYS 8 HB2 LYS 8 -7.422 -9.471 -4.030 49 2HB LYS 8 HB1 LYS 8 -9.033 -9.502 -3.330 50 1HG LYS 8 HG2 LYS 8 -9.391 -10.507 -5.357 51 2HG LYS 8 HG1 LYS 8 -9.789 -8.829 -5.730 52 1HD LYS 8 HD2 LYS 8 -6.982 -9.252 -6.106 53 2HD LYS 8 HD1 LYS 8 -7.884 -10.488 -6.986 54 1HE LYS 8 HE2 LYS 8 -8.173 -7.497 -7.218 55 2HE LYS 8 HE1 LYS 8 -7.543 -8.607 -8.434 56 1HZ LYS 8 HZ1 LYS 8 -9.820 -7.967 -8.916 57 2HZ LYS 8 HZ2 LYS 8 -10.334 -8.565 -7.420 58 3HZ LYS 8 HZ3 LYS 8 -9.727 -9.624 -8.589 59 H SER 9 HN SER 9 -6.066 -7.862 -2.955 60 HA SER 9 HA SER 9 -6.746 -7.541 -0.192 61 1HB SER 9 HB2 SER 9 -4.156 -7.936 -1.679 62 2HB SER 9 HB1 SER 9 -4.189 -7.658 0.059 63 HG SER 9 HG SER 9 -4.550 -9.934 -1.217 64 H LEU 10 HN LEU 10 -5.296 -5.527 -2.670 65 HA LEU 10 HA LEU 10 -4.370 -3.492 -0.934 66 1HB LEU 10 HB2 LEU 10 -5.150 -3.279 -3.841 67 2HB LEU 10 HB1 LEU 10 -4.214 -2.107 -2.945 68 HG LEU 10 HG LEU 10 -3.356 -4.896 -3.692 69 1HD1 LEU 10 HD11 LEU 10 -2.429 -2.154 -4.518 70 2HD1 LEU 10 HD12 LEU 10 -3.174 -3.387 -5.534 71 3HD1 LEU 10 HD13 LEU 10 -1.560 -3.645 -4.877 72 1HD2 LEU 10 HD21 LEU 10 -2.508 -3.217 -1.520 73 2HD2 LEU 10 HD22 LEU 10 -1.195 -3.481 -2.663 74 3HD2 LEU 10 HD23 LEU 10 -2.014 -4.859 -1.929 75 H THR 11 HN THR 11 -7.486 -4.445 -1.681 76 HA THR 11 HA THR 11 -8.483 -1.775 -0.913 77 HB THR 11 HB THR 11 -10.296 -1.880 -2.427 78 HG1 THR 11 HG1 THR 11 -10.978 -3.715 -3.365 79 1HG2 THR 11 HG21 THR 11 -8.038 -1.352 -3.436 80 2HG2 THR 11 HG22 THR 11 -9.244 -1.948 -4.576 81 3HG2 THR 11 HG23 THR 11 -7.981 -3.024 -3.989 82 H ASP 12 HN ASP 12 -7.968 -4.472 0.457 83 HA ASP 12 HA ASP 12 -10.672 -4.860 1.544 84 1HB ASP 12 HB2 ASP 12 -9.483 -6.854 0.494 85 2HB ASP 12 HB1 ASP 12 -8.335 -6.756 1.826 86 HA PRO 13 HA PRO 13 -9.074 -2.341 4.901 87 1HB PRO 13 HB2 PRO 13 -11.329 -3.831 6.211 88 2HB PRO 13 HB1 PRO 13 -10.870 -2.128 6.369 89 1HG PRO 13 HG2 PRO 13 -12.871 -2.789 4.788 90 2HG PRO 13 HG1 PRO 13 -11.682 -1.572 4.256 91 1HD PRO 13 HD2 PRO 13 -12.003 -4.427 3.414 92 2HD PRO 13 HD1 PRO 13 -11.475 -3.025 2.469 93 H LYS 14 HN LYS 14 -9.451 -5.816 4.919 94 HA LYS 14 HA LYS 14 -8.414 -6.344 7.483 95 1HB LYS 14 HB2 LYS 14 -9.380 -7.916 5.512 96 2HB LYS 14 HB1 LYS 14 -7.657 -8.210 5.313 97 1HG LYS 14 HG2 LYS 14 -9.235 -8.595 7.850 98 2HG LYS 14 HG1 LYS 14 -8.675 -9.871 6.768 99 1HD LYS 14 HD2 LYS 14 -6.874 -7.938 8.233 100 2HD LYS 14 HD1 LYS 14 -7.240 -9.582 8.771 101 1HE LYS 14 HE2 LYS 14 -6.368 -10.358 6.523 102 2HE LYS 14 HE1 LYS 14 -5.768 -8.715 6.298 103 1HZ LYS 14 HZ1 LYS 14 -4.388 -8.947 8.225 104 2HZ LYS 14 HZ2 LYS 14 -4.093 -10.261 7.202 105 3HZ LYS 14 HZ3 LYS 14 -5.043 -10.464 8.585 106 H LEU 15 HN LEU 15 -6.806 -6.129 4.333 107 HA LEU 15 HA LEU 15 -4.170 -6.284 5.431 108 1HB LEU 15 HB2 LEU 15 -5.209 -5.479 2.717 109 2HB LEU 15 HB1 LEU 15 -3.513 -5.557 3.103 110 HG LEU 15 HG LEU 15 -4.124 -7.538 1.908 111 1HD1 LEU 15 HD11 LEU 15 -3.955 -9.048 4.263 112 2HD1 LEU 15 HD12 LEU 15 -3.118 -7.525 4.583 113 3HD1 LEU 15 HD13 LEU 15 -2.632 -8.530 3.214 114 1HD2 LEU 15 HD21 LEU 15 -5.821 -9.076 2.649 115 2HD2 LEU 15 HD22 LEU 15 -6.540 -7.476 2.459 116 3HD2 LEU 15 HD23 LEU 15 -6.156 -8.085 4.069 117 H LEU 16 HN LEU 16 -6.211 -3.747 4.096 118 HA LEU 16 HA LEU 16 -4.473 -1.616 4.161 119 1HB LEU 16 HB2 LEU 16 -7.408 -1.480 4.850 120 2HB LEU 16 HB1 LEU 16 -6.427 -0.224 4.125 121 HG LEU 16 HG LEU 16 -6.945 -2.852 2.760 122 1HD1 LEU 16 HD11 LEU 16 -8.863 -2.103 1.815 123 2HD1 LEU 16 HD12 LEU 16 -8.385 -0.413 1.914 124 3HD1 LEU 16 HD13 LEU 16 -8.974 -1.243 3.351 125 1HD2 LEU 16 HD21 LEU 16 -5.147 -0.819 2.235 126 2HD2 LEU 16 HD22 LEU 16 -6.482 -0.499 1.128 127 3HD2 LEU 16 HD23 LEU 16 -5.676 -2.067 1.109 128 H LYS 17 HN LYS 17 -6.648 -2.693 6.783 129 HA LYS 17 HA LYS 17 -5.750 -0.752 8.646 130 1HB LYS 17 HB2 LYS 17 -7.095 -3.426 9.093 131 2HB LYS 17 HB1 LYS 17 -6.828 -2.227 10.348 132 1HG LYS 17 HG2 LYS 17 -8.317 -0.701 9.319 133 2HG LYS 17 HG1 LYS 17 -8.411 -1.682 7.855 134 1HD LYS 17 HD2 LYS 17 -9.489 -3.473 9.120 135 2HD LYS 17 HD1 LYS 17 -9.384 -2.504 10.590 136 1HE LYS 17 HE2 LYS 17 -10.829 -0.830 9.628 137 2HE LYS 17 HE1 LYS 17 -10.873 -1.699 8.097 138 1HZ LYS 17 HZ1 LYS 17 -11.991 -2.606 10.693 139 2HZ LYS 17 HZ2 LYS 17 -11.903 -3.577 9.311 140 3HZ LYS 17 HZ3 LYS 17 -12.857 -2.181 9.303 141 H ASN 18 HN ASN 18 -4.588 -3.833 7.609 142 HA ASN 18 HA ASN 18 -2.488 -3.802 9.678 143 1HB ASN 18 HB2 ASN 18 -4.137 -5.856 9.258 144 2HB ASN 18 HB1 ASN 18 -3.019 -6.190 7.947 145 1HD2 ASN 18 HD21 ASN 18 -2.578 -8.160 9.089 146 2HD2 ASN 18 HD22 ASN 18 -1.436 -8.159 10.385 147 H ILE 19 HN ILE 19 -1.667 -2.051 8.130 148 HA ILE 19 HA ILE 19 -0.906 -2.316 5.568 149 HB ILE 19 HB ILE 19 0.590 -1.018 7.822 150 1HG1 ILE 19 HG12 ILE 19 -1.546 -0.013 7.083 151 2HG1 ILE 19 HG11 ILE 19 -0.178 1.037 6.757 152 1HG2 ILE 19 HG21 ILE 19 1.333 -0.559 4.954 153 2HG2 ILE 19 HG22 ILE 19 2.102 -1.835 5.891 154 3HG2 ILE 19 HG23 ILE 19 2.232 -0.160 6.415 155 1HD1 ILE 19 HD11 ILE 19 -1.419 1.211 4.827 156 2HD1 ILE 19 HD12 ILE 19 -1.869 -0.492 4.821 157 3HD1 ILE 19 HD13 ILE 19 -0.228 -0.010 4.394 158 HA PRO 20 HA PRO 20 3.275 -4.681 6.945 159 1HB PRO 20 HB2 PRO 20 1.733 -6.261 8.981 160 2HB PRO 20 HB1 PRO 20 3.465 -5.878 8.940 161 1HG PRO 20 HG2 PRO 20 1.860 -4.523 10.544 162 2HG PRO 20 HG1 PRO 20 3.124 -3.677 9.637 163 1HD PRO 20 HD2 PRO 20 0.181 -3.739 9.182 164 2HD PRO 20 HD1 PRO 20 1.345 -2.433 8.879 165 H MET 21 HN MET 21 0.090 -6.082 7.455 166 HA MET 21 HA MET 21 0.466 -8.493 6.040 167 1HB MET 21 HB2 MET 21 -1.388 -7.482 7.714 168 2HB MET 21 HB1 MET 21 -2.225 -7.248 6.189 169 1HG MET 21 HG2 MET 21 -1.889 -9.620 7.757 170 2HG MET 21 HG1 MET 21 -2.974 -9.308 6.411 171 1HE MET 21 HE1 MET 21 -0.223 -11.695 7.554 172 2HE MET 21 HE2 MET 21 0.577 -10.124 7.492 173 3HE MET 21 HE3 MET 21 1.070 -11.410 6.388 174 H TRP 22 HN TRP 22 -1.037 -5.416 5.220 175 HA TRP 22 HA TRP 22 -1.879 -5.815 2.649 176 1HB TRP 22 HB2 TRP 22 -2.240 -3.804 4.037 177 2HB TRP 22 HB1 TRP 22 -0.570 -3.337 3.801 178 HD1 TRP 22 HD1 TRP 22 -3.869 -3.664 1.841 179 HE1 TRP 22 HE1 TRP 22 -3.747 -2.085 -0.187 180 HE3 TRP 22 HE3 TRP 22 0.992 -2.134 2.303 181 HZ2 TRP 22 HZ2 TRP 22 -1.844 -0.427 -1.438 182 HZ3 TRP 22 HZ3 TRP 22 1.889 -0.557 0.631 183 HH2 TRP 22 HH2 TRP 22 0.498 0.282 -1.192 184 H LEU 23 HN LEU 23 1.360 -5.130 3.815 185 HA LEU 23 HA LEU 23 2.544 -4.854 1.233 186 1HB LEU 23 HB2 LEU 23 3.623 -5.221 4.015 187 2HB LEU 23 HB1 LEU 23 4.673 -5.184 2.619 188 HG LEU 23 HG LEU 23 2.825 -2.947 3.435 189 1HD1 LEU 23 HD11 LEU 23 5.342 -1.984 3.668 190 2HD1 LEU 23 HD12 LEU 23 5.573 -3.650 4.202 191 3HD1 LEU 23 HD13 LEU 23 4.389 -2.616 5.006 192 1HD2 LEU 23 HD21 LEU 23 3.864 -1.656 1.733 193 2HD2 LEU 23 HD22 LEU 23 3.355 -3.173 0.992 194 3HD2 LEU 23 HD23 LEU 23 5.049 -2.920 1.409 195 H LYS 24 HN LYS 24 1.899 -7.497 3.419 196 HA LYS 24 HA LYS 24 3.691 -9.403 2.491 197 1HB LYS 24 HB2 LYS 24 1.527 -9.311 4.270 198 2HB LYS 24 HB1 LYS 24 1.113 -10.558 3.112 199 1HG LYS 24 HG2 LYS 24 3.789 -10.510 4.444 200 2HG LYS 24 HG1 LYS 24 2.379 -11.209 5.242 201 1HD LYS 24 HD2 LYS 24 3.256 -13.045 4.196 202 2HD LYS 24 HD1 LYS 24 2.106 -12.491 2.982 203 1HE LYS 24 HE2 LYS 24 4.019 -11.202 1.951 204 2HE LYS 24 HE1 LYS 24 5.088 -12.101 3.028 205 1HZ LYS 24 HZ1 LYS 24 4.958 -13.157 0.869 206 2HZ LYS 24 HZ2 LYS 24 3.276 -13.289 0.995 207 3HZ LYS 24 HZ3 LYS 24 4.274 -14.162 2.045 208 H SER 25 HN SER 25 0.485 -8.485 1.303 209 HA SER 25 HA SER 25 0.430 -10.480 -0.750 210 1HB SER 25 HB2 SER 25 -1.222 -7.962 -0.394 211 2HB SER 25 HB1 SER 25 -1.539 -9.213 -1.595 212 HG SER 25 HG SER 25 -1.500 -9.594 1.217 213 H LEU 26 HN LEU 26 2.236 -7.761 -0.364 214 HA LEU 26 HA LEU 26 2.493 -7.316 -3.266 215 1HB LEU 26 HB2 LEU 26 3.207 -5.410 -1.039 216 2HB LEU 26 HB1 LEU 26 3.277 -5.079 -2.760 217 HG LEU 26 HG LEU 26 0.743 -5.680 -1.245 218 1HD1 LEU 26 HD11 LEU 26 0.263 -3.299 -1.442 219 2HD1 LEU 26 HD12 LEU 26 1.836 -3.034 -2.192 220 3HD1 LEU 26 HD13 LEU 26 1.737 -3.569 -0.515 221 1HD2 LEU 26 HD21 LEU 26 0.144 -4.320 -3.569 222 2HD2 LEU 26 HD22 LEU 26 -0.049 -6.051 -3.293 223 3HD2 LEU 26 HD23 LEU 26 1.417 -5.438 -4.059 224 H ARG 27 HN ARG 27 3.880 -8.883 -0.809 225 HA ARG 27 HA ARG 27 5.903 -9.852 -0.482 226 1HB ARG 27 HB2 ARG 27 6.298 -8.776 -3.256 227 2HB ARG 27 HB1 ARG 27 7.623 -9.546 -2.397 228 1HG ARG 27 HG2 ARG 27 4.955 -10.843 -2.897 229 2HG ARG 27 HG1 ARG 27 6.378 -11.057 -3.920 230 1HD ARG 27 HD2 ARG 27 7.597 -12.074 -2.143 231 2HD ARG 27 HD1 ARG 27 6.353 -11.648 -0.967 232 HE ARG 27 HE ARG 27 5.189 -13.248 -2.946 233 1HH1 ARG 27 HH11 ARG 27 7.532 -13.500 -0.378 234 2HH1 ARG 27 HH12 ARG 27 7.233 -15.183 -0.099 235 1HH2 ARG 27 HH21 ARG 27 4.791 -15.463 -2.584 236 2HH2 ARG 27 HH22 ARG 27 5.677 -16.299 -1.353 237 H LEU 28 HN LEU 28 5.313 -6.800 -0.074 238 HA LEU 28 HA LEU 28 8.117 -6.009 0.402 239 1HB LEU 28 HB2 LEU 28 5.602 -4.338 0.173 240 2HB LEU 28 HB1 LEU 28 7.146 -3.688 0.682 241 HG LEU 28 HG LEU 28 7.449 -5.094 -1.817 242 1HD1 LEU 28 HD11 LEU 28 6.100 -3.487 -3.178 243 2HD1 LEU 28 HD12 LEU 28 5.282 -3.008 -1.689 244 3HD1 LEU 28 HD13 LEU 28 5.151 -4.667 -2.274 245 1HD2 LEU 28 HD21 LEU 28 8.032 -2.628 -2.461 246 2HD2 LEU 28 HD22 LEU 28 9.073 -3.530 -1.363 247 3HD2 LEU 28 HD23 LEU 28 7.921 -2.361 -0.721 248 H HIS 29 HN HIS 29 6.318 -7.780 2.102 249 HA HIS 29 HA HIS 29 5.691 -6.381 4.463 250 1HB HIS 29 HB2 HIS 29 6.011 -8.594 5.614 251 2HB HIS 29 HB1 HIS 29 4.910 -8.659 4.238 252 HD1 HIS 29 HD1 HIS 29 5.936 -9.714 2.002 253 HD2 HIS 29 HD2 HIS 29 8.155 -10.292 5.466 254 HE1 HIS 29 HE1 HIS 29 7.549 -11.567 1.463 255 HE2 HIS 29 HE2 HIS 29 8.937 -11.842 3.549 256 H LYS 30 HN LYS 30 8.470 -7.055 2.850 257 HA LYS 30 HA LYS 30 10.512 -7.292 4.703 258 1HB LYS 30 HB2 LYS 30 11.087 -5.505 2.436 259 2HB LYS 30 HB1 LYS 30 11.834 -7.018 2.870 260 1HG LYS 30 HG2 LYS 30 9.925 -8.221 1.864 261 2HG LYS 30 HG1 LYS 30 9.308 -6.660 1.318 262 1HD LYS 30 HD2 LYS 30 12.068 -7.634 0.632 263 2HD LYS 30 HD1 LYS 30 10.657 -7.999 -0.366 264 1HE LYS 30 HE2 LYS 30 10.259 -5.670 -0.762 265 2HE LYS 30 HE1 LYS 30 11.501 -5.210 0.400 266 1HZ LYS 30 HZ1 LYS 30 13.174 -6.169 -1.035 267 2HZ LYS 30 HZ2 LYS 30 12.270 -5.027 -1.896 268 3HZ LYS 30 HZ3 LYS 30 11.992 -6.678 -2.134 269 H TYR 31 HN TYR 31 8.734 -4.560 3.511 270 HA TYR 31 HA TYR 31 10.142 -2.722 5.311 271 1HB TYR 31 HB2 TYR 31 8.485 -2.214 2.838 272 2HB TYR 31 HB1 TYR 31 9.239 -0.962 3.826 273 HD1 TYR 31 HD1 TYR 31 9.579 -2.517 0.847 274 HD2 TYR 31 HD2 TYR 31 11.888 -1.773 4.345 275 HE1 TYR 31 HE1 TYR 31 11.647 -2.798 -0.457 276 HE2 TYR 31 HE2 TYR 31 13.958 -2.040 3.046 277 HH TYR 31 HH TYR 31 14.696 -3.148 0.966 278 H SER 32 HN SER 32 7.937 -4.634 5.968 279 HA SER 32 HA SER 32 5.533 -3.228 6.337 280 1HB SER 32 HB2 SER 32 6.731 -5.661 7.627 281 2HB SER 32 HB1 SER 32 5.234 -4.971 8.257 282 HG SER 32 HG SER 32 5.089 -6.664 6.560 283 H ASP 33 HN ASP 33 8.332 -3.702 8.442 284 HA ASP 33 HA ASP 33 7.342 -2.370 10.685 285 1HB ASP 33 HB2 ASP 33 10.165 -2.745 9.677 286 2HB ASP 33 HB1 ASP 33 9.753 -2.154 11.272 287 H ALA 34 HN ALA 34 9.034 -1.192 7.825 288 HA ALA 34 HA ALA 34 9.306 1.493 8.808 289 1HB ALA 34 HB1 ALA 34 10.399 1.973 6.809 290 2HB ALA 34 HB2 ALA 34 9.584 0.672 5.946 291 3HB ALA 34 HB3 ALA 34 10.824 0.296 7.145 292 H LEU 35 HN LEU 35 6.940 -0.244 6.962 293 HA LEU 35 HA LEU 35 5.621 2.268 6.224 294 1HB LEU 35 HB2 LEU 35 5.607 -0.500 5.139 295 2HB LEU 35 HB1 LEU 35 4.171 0.475 4.918 296 HG LEU 35 HG LEU 35 5.104 1.716 3.301 297 1HD1 LEU 35 HD11 LEU 35 7.422 2.531 3.260 298 2HD1 LEU 35 HD12 LEU 35 7.749 1.658 4.755 299 3HD1 LEU 35 HD13 LEU 35 6.570 2.966 4.737 300 1HD2 LEU 35 HD21 LEU 35 5.560 -0.313 2.292 301 2HD2 LEU 35 HD22 LEU 35 6.855 -0.721 3.423 302 3HD2 LEU 35 HD23 LEU 35 7.110 0.519 2.188 303 H SER 36 HN SER 36 5.437 -0.111 8.591 304 HA SER 36 HA SER 36 2.639 -0.423 8.850 305 1HB SER 36 HB2 SER 36 4.172 -1.979 9.938 306 2HB SER 36 HB1 SER 36 4.814 -0.681 10.943 307 HG SER 36 HG SER 36 2.885 -2.232 11.591 308 H GLY 37 HN GLY 37 4.946 1.785 10.410 309 1HA GLY 37 HA2 GLY 37 3.203 3.045 12.176 310 2HA GLY 37 HA1 GLY 37 4.624 3.797 11.469 311 H THR 38 HN THR 38 3.094 3.057 8.810 312 HA THR 38 HA THR 38 1.439 5.487 8.808 313 HB THR 38 HB THR 38 2.938 4.325 6.449 314 HG1 THR 38 HG1 THR 38 4.540 5.205 7.598 315 1HG2 THR 38 HG21 THR 38 0.780 5.827 6.245 316 2HG2 THR 38 HG22 THR 38 2.178 6.104 5.203 317 3HG2 THR 38 HG23 THR 38 1.917 7.125 6.617 318 HA PRO 39 HA PRO 39 -1.922 2.653 7.849 319 1HB PRO 39 HB2 PRO 39 -3.761 4.511 7.159 320 2HB PRO 39 HB1 PRO 39 -3.298 4.225 8.839 321 1HG PRO 39 HG2 PRO 39 -2.246 6.284 6.934 322 2HG PRO 39 HG1 PRO 39 -2.866 6.530 8.576 323 1HD PRO 39 HD2 PRO 39 -0.253 6.387 8.165 324 2HD PRO 39 HD1 PRO 39 -0.972 5.536 9.552 325 H TRP 40 HN TRP 40 -3.617 2.548 5.943 326 HA TRP 40 HA TRP 40 -2.087 2.444 3.539 327 1HB TRP 40 HB2 TRP 40 -4.120 1.645 2.448 328 2HB TRP 40 HB1 TRP 40 -3.838 0.784 3.952 329 HD1 TRP 40 HD1 TRP 40 -5.501 1.442 6.040 330 HE1 TRP 40 HE1 TRP 40 -7.953 2.229 5.992 331 HE3 TRP 40 HE3 TRP 40 -5.789 3.010 1.164 332 HZ2 TRP 40 HZ2 TRP 40 -9.746 3.383 4.176 333 HZ3 TRP 40 HZ3 TRP 40 -7.922 3.969 0.369 334 HH2 TRP 40 HH2 TRP 40 -9.853 4.136 1.846 335 H ILE 41 HN ILE 41 -4.848 4.428 4.600 336 HA ILE 41 HA ILE 41 -5.218 5.947 2.338 337 HB ILE 41 HB ILE 41 -6.493 6.027 4.584 338 1HG1 ILE 41 HG12 ILE 41 -7.105 8.501 4.082 339 2HG1 ILE 41 HG11 ILE 41 -5.949 8.359 2.757 340 1HG2 ILE 41 HG21 ILE 41 -4.667 8.363 5.094 341 2HG2 ILE 41 HG22 ILE 41 -4.418 6.783 5.838 342 3HG2 ILE 41 HG23 ILE 41 -5.901 7.686 6.158 343 1HD1 ILE 41 HD11 ILE 41 -8.314 7.966 2.117 344 2HD1 ILE 41 HD12 ILE 41 -8.300 6.523 3.131 345 3HD1 ILE 41 HD13 ILE 41 -7.227 6.632 1.736 346 H GLU 42 HN GLU 42 -2.574 6.023 4.569 347 HA GLU 42 HA GLU 42 -1.584 8.532 3.418 348 1HB GLU 42 HB2 GLU 42 -0.697 6.913 5.806 349 2HB GLU 42 HB1 GLU 42 0.199 8.298 5.197 350 1HG GLU 42 HG2 GLU 42 -2.616 8.312 6.263 351 2HG GLU 42 HG1 GLU 42 -1.181 8.944 7.069 352 H LEU 43 HN LEU 43 -0.852 5.135 3.781 353 HA LEU 43 HA LEU 43 1.683 4.992 2.646 354 1HB LEU 43 HB2 LEU 43 -0.398 3.215 3.371 355 2HB LEU 43 HB1 LEU 43 0.082 2.798 1.743 356 HG LEU 43 HG LEU 43 1.281 1.445 3.375 357 1HD1 LEU 43 HD11 LEU 43 3.587 1.971 2.653 358 2HD1 LEU 43 HD12 LEU 43 2.985 3.474 1.958 359 3HD1 LEU 43 HD13 LEU 43 2.429 1.925 1.326 360 1HD2 LEU 43 HD21 LEU 43 2.249 2.237 5.227 361 2HD2 LEU 43 HD22 LEU 43 1.275 3.678 4.937 362 3HD2 LEU 43 HD23 LEU 43 2.948 3.619 4.385 363 H ILE 44 HN ILE 44 -1.419 4.356 1.113 364 HA ILE 44 HA ILE 44 -0.614 4.274 -1.523 365 HB ILE 44 HB ILE 44 -2.943 4.571 -2.086 366 1HG1 ILE 44 HG12 ILE 44 -3.413 5.304 0.807 367 2HG1 ILE 44 HG11 ILE 44 -3.296 6.491 -0.472 368 1HG2 ILE 44 HG21 ILE 44 -3.907 2.899 -0.414 369 2HG2 ILE 44 HG22 ILE 44 -2.336 2.963 0.379 370 3HG2 ILE 44 HG23 ILE 44 -2.460 2.412 -1.293 371 1HD1 ILE 44 HD11 ILE 44 -5.588 5.428 0.409 372 2HD1 ILE 44 HD12 ILE 44 -5.220 4.320 -0.912 373 3HD1 ILE 44 HD13 ILE 44 -5.358 6.048 -1.222 374 H TYR 45 HN TYR 45 -0.685 6.938 0.549 375 HA TYR 45 HA TYR 45 -0.955 8.853 -1.659 376 1HB TYR 45 HB2 TYR 45 -1.302 9.015 1.291 377 2HB TYR 45 HB1 TYR 45 -0.738 10.461 0.464 378 HD1 TYR 45 HD1 TYR 45 -3.021 8.138 -1.256 379 HD2 TYR 45 HD2 TYR 45 -2.738 11.684 1.094 380 HE1 TYR 45 HE1 TYR 45 -5.347 8.709 -1.835 381 HE2 TYR 45 HE2 TYR 45 -5.053 12.261 0.510 382 HH TYR 45 HH TYR 45 -6.683 11.773 -1.261 383 H LEU 46 HN LEU 46 1.408 7.321 0.265 384 HA LEU 46 HA LEU 46 3.409 9.290 0.381 385 1HB LEU 46 HB2 LEU 46 3.837 6.322 0.048 386 2HB LEU 46 HB1 LEU 46 4.983 7.476 0.679 387 HG LEU 46 HG LEU 46 2.467 6.511 2.014 388 1HD1 LEU 46 HD11 LEU 46 4.155 5.814 3.746 389 2HD1 LEU 46 HD12 LEU 46 5.411 6.198 2.562 390 3HD1 LEU 46 HD13 LEU 46 4.227 4.934 2.219 391 1HD2 LEU 46 HD21 LEU 46 4.126 8.908 2.504 392 2HD2 LEU 46 HD22 LEU 46 3.683 7.948 3.915 393 3HD2 LEU 46 HD23 LEU 46 2.426 8.611 2.868 394 H ASP 47 HN ASP 47 5.621 8.137 -0.799 395 HA ASP 47 HA ASP 47 5.117 7.821 -3.635 396 1HB ASP 47 HB2 ASP 47 7.020 9.648 -3.939 397 2HB ASP 47 HB1 ASP 47 5.320 10.091 -3.891 398 H ASP 48 HN ASP 48 7.300 7.541 -4.788 399 HA ASP 48 HA ASP 48 8.630 5.358 -3.824 400 1HB ASP 48 HB2 ASP 48 10.485 6.174 -5.386 401 2HB ASP 48 HB1 ASP 48 8.912 5.884 -6.099 402 H GLU 49 HN GLU 49 9.545 8.760 -3.542 403 HA GLU 49 HA GLU 49 11.934 8.294 -2.110 404 1HB GLU 49 HB2 GLU 49 11.213 10.414 -3.358 405 2HB GLU 49 HB1 GLU 49 10.363 10.833 -1.874 406 1HG GLU 49 HG2 GLU 49 12.502 10.594 -0.643 407 2HG GLU 49 HG1 GLU 49 13.312 10.335 -2.186 408 H THR 50 HN THR 50 8.704 9.303 -0.879 409 HA THR 50 HA THR 50 9.353 9.554 1.791 410 HB THR 50 HB THR 50 6.821 8.291 0.715 411 HG1 THR 50 HG1 THR 50 7.616 10.976 1.179 412 1HG2 THR 50 HG21 THR 50 7.192 7.875 3.129 413 2HG2 THR 50 HG22 THR 50 5.821 8.952 2.835 414 3HG2 THR 50 HG23 THR 50 7.359 9.618 3.376 415 H LEU 51 HN LEU 51 8.524 6.658 -0.009 416 HA LEU 51 HA LEU 51 8.535 4.705 1.934 417 1HB LEU 51 HB2 LEU 51 9.538 4.746 -0.900 418 2HB LEU 51 HB1 LEU 51 9.456 3.266 0.036 419 HG LEU 51 HG LEU 51 7.053 5.021 -0.463 420 1HD1 LEU 51 HD11 LEU 51 6.398 3.515 -2.215 421 2HD1 LEU 51 HD12 LEU 51 7.827 2.516 -1.949 422 3HD1 LEU 51 HD13 LEU 51 8.001 4.152 -2.584 423 1HD2 LEU 51 HD21 LEU 51 7.467 2.273 0.676 424 2HD2 LEU 51 HD22 LEU 51 5.904 2.815 0.070 425 3HD2 LEU 51 HD23 LEU 51 6.670 3.664 1.412 426 H GLU 52 HN GLU 52 11.243 6.100 0.166 427 HA GLU 52 HA GLU 52 13.296 4.542 1.260 428 1HB GLU 52 HB2 GLU 52 13.405 6.091 -0.742 429 2HB GLU 52 HB1 GLU 52 13.466 7.430 0.394 430 1HG GLU 52 HG2 GLU 52 15.515 6.251 1.383 431 2HG GLU 52 HG1 GLU 52 15.501 5.284 -0.088 432 H LYS 53 HN LYS 53 11.782 7.559 2.317 433 HA LYS 53 HA LYS 53 13.486 8.085 4.494 434 1HB LYS 53 HB2 LYS 53 10.639 8.836 3.966 435 2HB LYS 53 HB1 LYS 53 11.532 9.453 5.338 436 1HG LYS 53 HG2 LYS 53 12.171 9.871 2.432 437 2HG LYS 53 HG1 LYS 53 11.436 11.053 3.511 438 1HD LYS 53 HD2 LYS 53 13.623 11.728 3.601 439 2HD LYS 53 HD1 LYS 53 13.619 10.559 4.929 440 1HE LYS 53 HE2 LYS 53 15.392 9.717 3.805 441 2HE LYS 53 HE1 LYS 53 14.095 8.914 2.904 442 1HZ LYS 53 HZ1 LYS 53 14.208 10.641 1.236 443 2HZ LYS 53 HZ2 LYS 53 15.735 9.939 1.431 444 3HZ LYS 53 HZ3 LYS 53 15.414 11.457 2.103 445 H LYS 54 HN LYS 54 10.767 5.943 4.097 446 HA LYS 54 HA LYS 54 10.303 5.485 6.893 447 1HB LYS 54 HB2 LYS 54 9.565 3.411 4.897 448 2HB LYS 54 HB1 LYS 54 8.620 4.055 6.223 449 1HG LYS 54 HG2 LYS 54 9.165 5.490 3.639 450 2HG LYS 54 HG1 LYS 54 7.704 4.580 3.982 451 1HD LYS 54 HD2 LYS 54 8.645 7.012 5.491 452 2HD LYS 54 HD1 LYS 54 7.395 6.980 4.268 453 1HE LYS 54 HE2 LYS 54 6.171 6.913 6.203 454 2HE LYS 54 HE1 LYS 54 6.269 5.214 5.745 455 1HZ LYS 54 HZ1 LYS 54 6.697 5.586 8.120 456 2HZ LYS 54 HZ2 LYS 54 8.039 6.539 7.733 457 3HZ LYS 54 HZ3 LYS 54 8.029 4.894 7.341 458 H GLY 55 HN GLY 55 11.569 3.487 4.282 459 1HA GLY 55 HA2 GLY 55 13.880 2.597 5.508 460 2HA GLY 55 HA1 GLY 55 12.619 1.444 5.931 461 H VAL 56 HN VAL 56 11.367 2.277 3.240 462 HA VAL 56 HA VAL 56 12.341 0.103 1.702 463 HB VAL 56 HB VAL 56 10.752 2.423 0.616 464 1HG1 VAL 56 HG11 VAL 56 10.061 -0.346 -0.084 465 2HG1 VAL 56 HG12 VAL 56 11.630 0.208 -0.654 466 3HG1 VAL 56 HG13 VAL 56 10.173 1.090 -1.100 467 1HG2 VAL 56 HG21 VAL 56 8.769 0.833 1.328 468 2HG2 VAL 56 HG22 VAL 56 9.415 2.043 2.435 469 3HG2 VAL 56 HG23 VAL 56 9.914 0.359 2.580 470 H LEU 57 HN LEU 57 14.547 0.414 1.408 471 HA LEU 57 HA LEU 57 15.459 2.843 0.048 472 1HB LEU 57 HB2 LEU 57 16.761 0.683 1.638 473 2HB LEU 57 HB1 LEU 57 17.736 1.612 0.516 474 HG LEU 57 HG LEU 57 17.698 3.489 1.815 475 1HD1 LEU 57 HD11 LEU 57 15.834 3.920 3.503 476 2HD1 LEU 57 HD12 LEU 57 14.961 2.622 2.687 477 3HD1 LEU 57 HD13 LEU 57 15.428 4.066 1.794 478 1HD2 LEU 57 HD21 LEU 57 18.637 1.676 3.171 479 2HD2 LEU 57 HD22 LEU 57 17.042 1.380 3.865 480 3HD2 LEU 57 HD23 LEU 57 17.866 2.910 4.169 481 H ALA 58 HN ALA 58 13.975 0.650 -1.325 482 HA ALA 58 HA ALA 58 16.044 -0.151 -3.274 483 1HB ALA 58 HB1 ALA 58 15.056 -2.172 -3.551 484 2HB ALA 58 HB2 ALA 58 13.439 -1.532 -3.243 485 3HB ALA 58 HB3 ALA 58 14.532 -1.859 -1.893 486 H LEU 59 HN LEU 59 16.006 1.197 -4.940 487 HA LEU 59 HA LEU 59 13.962 2.801 -5.803 488 1HB LEU 59 HB2 LEU 59 16.397 1.683 -6.991 489 2HB LEU 59 HB1 LEU 59 15.151 2.041 -8.171 490 HG LEU 59 HG LEU 59 16.671 3.921 -7.936 491 1HD1 LEU 59 HD11 LEU 59 14.976 5.657 -7.326 492 2HD1 LEU 59 HD12 LEU 59 13.916 4.333 -6.825 493 3HD1 LEU 59 HD13 LEU 59 14.425 4.467 -8.511 494 1HD2 LEU 59 HD21 LEU 59 17.034 5.078 -5.917 495 2HD2 LEU 59 HD22 LEU 59 17.222 3.370 -5.527 496 3HD2 LEU 59 HD23 LEU 59 15.736 4.209 -5.097 497 H GLY 60 HN GLY 60 14.456 -0.596 -6.234 498 1HA GLY 60 HA2 GLY 60 12.451 -0.955 -8.227 499 2HA GLY 60 HA1 GLY 60 13.234 -2.222 -7.304 500 H ALA 61 HN ALA 61 12.586 -1.540 -4.733 501 HA ALA 61 HA ALA 61 9.894 -2.481 -4.560 502 1HB ALA 61 HB1 ALA 61 10.424 -3.054 -2.468 503 2HB ALA 61 HB2 ALA 61 11.124 -1.478 -2.096 504 3HB ALA 61 HB3 ALA 61 12.073 -2.685 -2.967 505 H ARG 62 HN ARG 62 11.380 0.675 -4.276 506 HA ARG 62 HA ARG 62 9.230 1.895 -2.880 507 1HB ARG 62 HB2 ARG 62 11.391 3.169 -4.567 508 2HB ARG 62 HB1 ARG 62 10.327 4.016 -3.460 509 1HG ARG 62 HG2 ARG 62 11.296 2.619 -1.619 510 2HG ARG 62 HG1 ARG 62 12.489 2.052 -2.787 511 1HD ARG 62 HD2 ARG 62 12.018 4.902 -1.943 512 2HD ARG 62 HD1 ARG 62 13.378 3.893 -1.488 513 HE ARG 62 HE ARG 62 13.718 3.872 -4.081 514 1HH1 ARG 62 HH11 ARG 62 12.692 6.536 -2.083 515 2HH1 ARG 62 HH12 ARG 62 13.399 7.744 -3.104 516 1HH2 ARG 62 HH21 ARG 62 14.657 5.467 -5.424 517 2HH2 ARG 62 HH22 ARG 62 14.511 7.138 -4.999 518 H ARG 63 HN ARG 63 10.406 2.489 -6.175 519 HA ARG 63 HA ARG 63 8.190 3.881 -7.072 520 1HB ARG 63 HB2 ARG 63 10.104 2.122 -8.613 521 2HB ARG 63 HB1 ARG 63 8.959 3.225 -9.362 522 1HG ARG 63 HG2 ARG 63 10.057 5.121 -8.397 523 2HG ARG 63 HG1 ARG 63 11.106 4.080 -7.434 524 1HD ARG 63 HD2 ARG 63 12.271 3.322 -9.348 525 2HD ARG 63 HD1 ARG 63 11.063 4.001 -10.440 526 HE ARG 63 HE ARG 63 12.384 5.955 -8.792 527 1HH1 ARG 63 HH11 ARG 63 12.512 4.161 -11.777 528 2HH1 ARG 63 HH12 ARG 63 13.521 5.319 -12.578 529 1HH2 ARG 63 HH21 ARG 63 13.710 7.484 -9.839 530 2HH2 ARG 63 HH22 ARG 63 14.203 7.207 -11.477 531 H LYS 64 HN LYS 64 8.580 0.585 -6.329 532 HA LYS 64 HA LYS 64 6.547 -0.504 -8.031 533 1HB LYS 64 HB2 LYS 64 8.469 -1.457 -6.138 534 2HB LYS 64 HB1 LYS 64 6.887 -2.076 -5.683 535 1HG LYS 64 HG2 LYS 64 8.191 -3.581 -7.177 536 2HG LYS 64 HG1 LYS 64 6.592 -3.152 -7.780 537 1HD LYS 64 HD2 LYS 64 7.600 -1.470 -9.248 538 2HD LYS 64 HD1 LYS 64 9.200 -1.896 -8.640 539 1HE LYS 64 HE2 LYS 64 9.018 -4.109 -9.552 540 2HE LYS 64 HE1 LYS 64 7.338 -3.831 -10.008 541 1HZ LYS 64 HZ1 LYS 64 8.068 -2.158 -11.576 542 2HZ LYS 64 HZ2 LYS 64 8.837 -3.629 -11.899 543 3HZ LYS 64 HZ3 LYS 64 9.681 -2.386 -11.123 544 H LEU 65 HN LEU 65 6.714 0.276 -4.578 545 HA LEU 65 HA LEU 65 4.135 -0.392 -3.868 546 1HB LEU 65 HB2 LEU 65 6.218 1.406 -2.815 547 2HB LEU 65 HB1 LEU 65 4.588 1.727 -2.258 548 HG LEU 65 HG LEU 65 5.318 -1.101 -2.134 549 1HD1 LEU 65 HD11 LEU 65 6.834 0.898 -0.475 550 2HD1 LEU 65 HD12 LEU 65 7.505 -0.232 -1.648 551 3HD1 LEU 65 HD13 LEU 65 6.769 -0.834 -0.163 552 1HD2 LEU 65 HD21 LEU 65 4.431 -0.757 0.190 553 2HD2 LEU 65 HD22 LEU 65 3.311 -0.365 -1.114 554 3HD2 LEU 65 HD23 LEU 65 4.146 0.926 -0.246 555 H LEU 66 HN LEU 66 5.301 2.391 -5.611 556 HA LEU 66 HA LEU 66 3.120 4.108 -5.282 557 1HB LEU 66 HB2 LEU 66 5.233 3.771 -7.350 558 2HB LEU 66 HB1 LEU 66 3.855 4.786 -7.738 559 HG LEU 66 HG LEU 66 5.256 5.267 -5.157 560 1HD1 LEU 66 HD11 LEU 66 6.388 5.795 -7.869 561 2HD1 LEU 66 HD12 LEU 66 7.187 5.212 -6.407 562 3HD1 LEU 66 HD13 LEU 66 6.709 6.904 -6.536 563 1HD2 LEU 66 HD21 LEU 66 4.641 7.575 -5.660 564 2HD2 LEU 66 HD22 LEU 66 3.236 6.512 -5.741 565 3HD2 LEU 66 HD23 LEU 66 4.005 7.073 -7.226 566 H LYS 67 HN LYS 67 3.490 1.233 -7.189 567 HA LYS 67 HA LYS 67 1.249 1.674 -8.904 568 1HB LYS 67 HB2 LYS 67 2.814 -0.786 -8.134 569 2HB LYS 67 HB1 LYS 67 1.396 -0.878 -9.158 570 1HG LYS 67 HG2 LYS 67 3.703 0.913 -9.831 571 2HG LYS 67 HG1 LYS 67 3.670 -0.789 -10.294 572 1HD LYS 67 HD2 LYS 67 1.596 1.277 -11.028 573 2HD LYS 67 HD1 LYS 67 2.850 0.649 -12.098 574 1HE LYS 67 HE2 LYS 67 0.764 -1.060 -10.766 575 2HE LYS 67 HE1 LYS 67 0.597 -0.403 -12.396 576 1HZ LYS 67 HZ1 LYS 67 2.715 -2.266 -11.460 577 2HZ LYS 67 HZ2 LYS 67 2.631 -1.597 -13.010 578 3HZ LYS 67 HZ3 LYS 67 1.421 -2.652 -12.480 579 H ALA 68 HN ALA 68 1.854 0.074 -5.856 580 HA ALA 68 HA ALA 68 -0.786 -0.955 -5.509 581 1HB ALA 68 HB1 ALA 68 -0.006 -1.284 -3.137 582 2HB ALA 68 HB2 ALA 68 1.522 -0.542 -3.617 583 3HB ALA 68 HB3 ALA 68 0.996 -2.049 -4.369 584 H PHE 69 HN PHE 69 0.741 2.076 -5.009 585 HA PHE 69 HA PHE 69 -0.965 3.082 -2.981 586 1HB PHE 69 HB2 PHE 69 0.905 4.385 -4.949 587 2HB PHE 69 HB1 PHE 69 -0.029 5.311 -3.789 588 HD1 PHE 69 HD1 PHE 69 0.629 2.421 -2.058 589 HD2 PHE 69 HD2 PHE 69 2.654 5.836 -3.602 590 HE1 PHE 69 HE1 PHE 69 2.402 2.128 -0.385 591 HE2 PHE 69 HE2 PHE 69 4.428 5.541 -1.925 592 HZ PHE 69 HZ PHE 69 4.300 3.689 -0.306 593 H GLY 70 HN GLY 70 -0.947 3.378 -6.522 594 1HA GLY 70 HA2 GLY 70 -3.161 5.192 -6.574 595 2HA GLY 70 HA1 GLY 70 -2.461 4.378 -7.955 596 H ILE 71 HN ILE 71 -2.901 1.727 -7.369 597 HA ILE 71 HA ILE 71 -5.509 1.328 -8.224 598 HB ILE 71 HB ILE 71 -3.873 -0.643 -6.625 599 1HG1 ILE 71 HG12 ILE 71 -3.945 -0.567 -9.618 600 2HG1 ILE 71 HG11 ILE 71 -2.869 0.531 -8.759 601 1HG2 ILE 71 HG21 ILE 71 -5.995 -1.120 -8.714 602 2HG2 ILE 71 HG22 ILE 71 -6.257 -1.225 -6.974 603 3HG2 ILE 71 HG23 ILE 71 -5.147 -2.342 -7.767 604 1HD1 ILE 71 HD11 ILE 71 -2.875 -2.449 -8.381 605 2HD1 ILE 71 HD12 ILE 71 -1.704 -1.283 -7.758 606 3HD1 ILE 71 HD13 ILE 71 -1.811 -1.587 -9.493 607 H VAL 72 HN VAL 72 -4.246 1.592 -4.964 608 HA VAL 72 HA VAL 72 -6.619 0.650 -3.662 609 HB VAL 72 HB VAL 72 -4.405 2.399 -2.572 610 1HG1 VAL 72 HG11 VAL 72 -5.214 1.772 -0.366 611 2HG1 VAL 72 HG12 VAL 72 -6.522 0.842 -1.086 612 3HG1 VAL 72 HG13 VAL 72 -6.478 2.592 -1.279 613 1HG2 VAL 72 HG21 VAL 72 -3.843 0.048 -3.418 614 2HG2 VAL 72 HG22 VAL 72 -4.764 -0.529 -2.032 615 3HG2 VAL 72 HG23 VAL 72 -3.343 0.480 -1.785 616 H ILE 73 HN ILE 73 -5.245 3.850 -4.315 617 HA ILE 73 HA ILE 73 -7.155 5.442 -3.084 618 HB ILE 73 HB ILE 73 -5.423 5.899 -5.498 619 1HG1 ILE 73 HG12 ILE 73 -5.333 7.199 -2.776 620 2HG1 ILE 73 HG11 ILE 73 -4.476 5.708 -3.147 621 1HG2 ILE 73 HG21 ILE 73 -6.133 8.406 -4.786 622 2HG2 ILE 73 HG22 ILE 73 -7.642 7.546 -4.460 623 3HG2 ILE 73 HG23 ILE 73 -6.922 7.491 -6.071 624 1HD1 ILE 73 HD11 ILE 73 -4.053 8.092 -4.875 625 2HD1 ILE 73 HD12 ILE 73 -2.961 6.757 -4.500 626 3HD1 ILE 73 HD13 ILE 73 -3.270 8.008 -3.298 627 H ASP 74 HN ASP 74 -7.077 4.363 -6.438 628 HA ASP 74 HA ASP 74 -9.420 5.617 -7.313 629 1HB ASP 74 HB2 ASP 74 -7.626 4.498 -8.737 630 2HB ASP 74 HB1 ASP 74 -8.391 2.963 -8.341 631 H TYR 75 HN TYR 75 -9.022 2.155 -6.449 632 HA TYR 75 HA TYR 75 -11.749 1.538 -6.491 633 1HB TYR 75 HB2 TYR 75 -9.388 0.315 -5.080 634 2HB TYR 75 HB1 TYR 75 -11.009 -0.350 -4.902 635 HD1 TYR 75 HD1 TYR 75 -12.095 0.037 -7.609 636 HD2 TYR 75 HD2 TYR 75 -8.244 -1.283 -6.378 637 HE1 TYR 75 HE1 TYR 75 -11.842 -1.172 -9.733 638 HE2 TYR 75 HE2 TYR 75 -7.979 -2.494 -8.503 639 HH TYR 75 HH TYR 75 -9.383 -3.458 -10.264 640 H LYS 76 HN LYS 76 -9.738 3.012 -4.105 641 HA LYS 76 HA LYS 76 -11.524 2.916 -1.907 642 1HB LYS 76 HB2 LYS 76 -9.169 3.445 -1.589 643 2HB LYS 76 HB1 LYS 76 -9.302 4.820 -2.660 644 1HG LYS 76 HG2 LYS 76 -11.206 5.313 -0.727 645 2HG LYS 76 HG1 LYS 76 -9.809 4.680 0.151 646 1HD LYS 76 HD2 LYS 76 -9.700 6.884 -1.896 647 2HD LYS 76 HD1 LYS 76 -9.745 7.126 -0.166 648 1HE LYS 76 HE2 LYS 76 -7.640 5.960 0.105 649 2HE LYS 76 HE1 LYS 76 -7.616 5.607 -1.619 650 1HZ LYS 76 HZ1 LYS 76 -6.206 7.469 -1.154 651 2HZ LYS 76 HZ2 LYS 76 -7.461 8.294 -0.376 652 3HZ LYS 76 HZ3 LYS 76 -7.541 8.010 -2.042 653 H GLU 77 HN GLU 77 -10.904 5.121 -4.525 654 HA GLU 77 HA GLU 77 -12.735 7.143 -3.722 655 1HB GLU 77 HB2 GLU 77 -11.090 6.591 -6.176 656 2HB GLU 77 HB1 GLU 77 -12.200 7.941 -6.115 657 1HG GLU 77 HG2 GLU 77 -10.881 8.424 -3.854 658 2HG GLU 77 HG1 GLU 77 -9.634 7.524 -4.695 659 H ARG 78 HN ARG 78 -13.011 4.160 -5.367 660 HA ARG 78 HA ARG 78 -15.510 4.923 -6.690 661 1HB ARG 78 HB2 ARG 78 -13.817 2.431 -6.796 662 2HB ARG 78 HB1 ARG 78 -15.395 2.549 -7.552 663 1HG ARG 78 HG2 ARG 78 -14.558 4.439 -8.910 664 2HG ARG 78 HG1 ARG 78 -12.958 4.185 -8.205 665 1HD ARG 78 HD2 ARG 78 -13.075 1.822 -9.047 666 2HD ARG 78 HD1 ARG 78 -14.536 2.279 -9.923 667 HE ARG 78 HE ARG 78 -12.094 3.805 -10.399 668 1HH1 ARG 78 HH11 ARG 78 -14.434 1.478 -11.506 669 2HH1 ARG 78 HH12 ARG 78 -13.942 1.578 -13.163 670 1HH2 ARG 78 HH21 ARG 78 -11.437 3.947 -12.579 671 2HH2 ARG 78 HH22 ARG 78 -12.237 2.981 -13.773 672 H ASP 79 HN ASP 79 -15.047 4.536 -3.721 673 HA ASP 79 HA ASP 79 -16.051 3.637 -1.911 674 1HB ASP 79 HB2 ASP 79 -18.395 3.062 -3.703 675 2HB ASP 79 HB1 ASP 79 -18.386 3.526 -2.009 676 H LEU 80 HN LEU 80 -14.540 1.873 -3.733 677 HA LEU 80 HA LEU 80 -15.905 -0.677 -3.557 678 1HB LEU 80 HB2 LEU 80 -13.710 0.411 -5.087 679 2HB LEU 80 HB1 LEU 80 -13.268 -1.125 -4.378 680 HG LEU 80 HG LEU 80 -15.672 -1.787 -5.381 681 1HD1 LEU 80 HD11 LEU 80 -16.000 -0.749 -7.535 682 2HD1 LEU 80 HD12 LEU 80 -14.586 0.278 -7.285 683 3HD1 LEU 80 HD13 LEU 80 -16.019 0.488 -6.275 684 1HD2 LEU 80 HD21 LEU 80 -13.495 -2.887 -5.779 685 2HD2 LEU 80 HD22 LEU 80 -13.146 -1.663 -7.000 686 3HD2 LEU 80 HD23 LEU 80 -14.491 -2.777 -7.233 687 H ILE 81 HN ILE 81 -13.986 1.210 -1.580 688 HA ILE 81 HA ILE 81 -13.043 -1.120 -0.033 689 HB ILE 81 HB ILE 81 -12.016 1.724 0.003 690 1HG1 ILE 81 HG12 ILE 81 -10.808 -0.851 -1.029 691 2HG1 ILE 81 HG11 ILE 81 -11.337 0.516 -2.002 692 1HG2 ILE 81 HG21 ILE 81 -11.013 -0.695 1.510 693 2HG2 ILE 81 HG22 ILE 81 -11.927 0.636 2.223 694 3HG2 ILE 81 HG23 ILE 81 -10.321 0.927 1.552 695 1HD1 ILE 81 HD11 ILE 81 -9.008 0.408 -0.107 696 2HD1 ILE 81 HD12 ILE 81 -9.598 1.891 -0.855 697 3HD1 ILE 81 HD13 ILE 81 -8.969 0.587 -1.862 698 H ASP 82 HN ASP 82 -13.692 -1.364 2.041 699 HA ASP 82 HA ASP 82 -16.033 -0.103 2.924 700 1HB ASP 82 HB2 ASP 82 -14.935 -2.365 3.641 701 2HB ASP 82 HB1 ASP 82 -14.107 -1.371 4.839 702 H ARG 83 HN ARG 83 -16.411 1.665 4.112 703 HA ARG 83 HA ARG 83 -14.431 3.621 4.434 704 1HB ARG 83 HB2 ARG 83 -17.190 3.350 5.618 705 2HB ARG 83 HB1 ARG 83 -16.173 4.759 5.889 706 1HG ARG 83 HG2 ARG 83 -17.029 3.773 3.175 707 2HG ARG 83 HG1 ARG 83 -17.831 5.061 4.077 708 1HD ARG 83 HD2 ARG 83 -15.909 6.454 3.962 709 2HD ARG 83 HD1 ARG 83 -14.907 5.133 3.364 710 HE ARG 83 HE ARG 83 -15.920 5.352 1.249 711 1HH1 ARG 83 HH11 ARG 83 -17.071 7.706 3.548 712 2HH1 ARG 83 HH12 ARG 83 -17.738 8.751 2.340 713 1HH2 ARG 83 HH21 ARG 83 -16.801 6.720 -0.348 714 2HH2 ARG 83 HH22 ARG 83 -17.587 8.190 0.126 715 H SER 84 HN SER 84 -15.071 0.862 6.243 716 HA SER 84 HA SER 84 -14.385 1.781 8.840 717 1HB SER 84 HB2 SER 84 -15.578 -0.358 8.413 718 2HB SER 84 HB1 SER 84 -14.103 -1.013 7.704 719 HG SER 84 HG SER 84 -13.786 0.089 10.207 720 H ALA 85 HN ALA 85 -12.540 0.553 6.105 721 HA ALA 85 HA ALA 85 -10.063 0.193 7.376 722 1HB ALA 85 HB1 ALA 85 -9.098 0.566 5.084 723 2HB ALA 85 HB2 ALA 85 -10.732 0.931 4.524 724 3HB ALA 85 HB3 ALA 85 -10.353 -0.663 5.168 725 H TYR 86 HN TYR 86 -11.512 2.972 5.790 726 HA TYR 86 HA TYR 86 -9.570 4.846 5.722 727 1HB TYR 86 HB2 TYR 86 -12.430 5.175 6.620 728 2HB TYR 86 HB1 TYR 86 -11.354 6.542 6.386 729 HD1 TYR 86 HD1 TYR 86 -12.028 3.441 4.428 730 HD2 TYR 86 HD2 TYR 86 -11.891 7.685 4.461 731 HE1 TYR 86 HE1 TYR 86 -12.618 3.465 2.043 732 HE2 TYR 86 HE2 TYR 86 -12.481 7.730 2.072 733 HH TYR 86 HH TYR 86 -12.367 6.259 0.118 Start of MODEL 15 1 1H SER 1 HT1 SER 1 6.271 -16.257 -5.572 2 2H SER 1 HT2 SER 1 7.144 -16.886 -4.268 3 3H SER 1 HT3 SER 1 7.952 -16.417 -5.678 4 HA SER 1 HA SER 1 6.484 -14.612 -3.848 5 1HB SER 1 HB2 SER 1 8.552 -15.416 -2.834 6 2HB SER 1 HB1 SER 1 9.455 -15.003 -4.292 7 HG SER 1 HG SER 1 9.136 -13.466 -2.269 8 H ASN 2 HN ASN 2 5.624 -13.006 -4.979 9 HA ASN 2 HA ASN 2 7.178 -11.360 -6.684 10 1HB ASN 2 HB2 ASN 2 5.965 -11.747 -8.794 11 2HB ASN 2 HB1 ASN 2 6.846 -13.183 -8.279 12 1HD2 ASN 2 HD21 ASN 2 3.723 -11.730 -8.698 13 2HD2 ASN 2 HD22 ASN 2 2.800 -13.181 -8.534 14 H SER 3 HN SER 3 6.290 -9.372 -6.845 15 HA SER 3 HA SER 3 3.733 -8.946 -5.519 16 1HB SER 3 HB2 SER 3 4.352 -6.547 -5.616 17 2HB SER 3 HB1 SER 3 5.608 -7.525 -4.855 18 HG SER 3 HG SER 3 6.327 -7.565 -7.285 19 H SER 4 HN SER 4 1.957 -9.087 -6.738 20 HA SER 4 HA SER 4 2.081 -8.135 -9.516 21 1HB SER 4 HB2 SER 4 0.165 -10.068 -8.204 22 2HB SER 4 HB1 SER 4 0.039 -9.516 -9.873 23 HG SER 4 HG SER 4 2.105 -11.052 -8.693 24 H MET 5 HN MET 5 1.214 -7.013 -6.596 25 HA MET 5 HA MET 5 -0.136 -5.352 -5.833 26 1HB MET 5 HB2 MET 5 0.106 -4.766 -8.743 27 2HB MET 5 HB1 MET 5 -1.092 -3.869 -7.820 28 1HG MET 5 HG2 MET 5 1.059 -2.698 -8.002 29 2HG MET 5 HG1 MET 5 0.596 -3.033 -6.335 30 1HE MET 5 HE1 MET 5 4.375 -3.347 -5.889 31 2HE MET 5 HE2 MET 5 2.893 -2.449 -5.558 32 3HE MET 5 HE3 MET 5 3.711 -2.261 -7.109 33 H ASN 6 HN ASN 6 -1.480 -7.515 -5.549 34 HA ASN 6 HA ASN 6 -3.778 -8.003 -7.055 35 1HB ASN 6 HB2 ASN 6 -3.392 -8.424 -4.078 36 2HB ASN 6 HB1 ASN 6 -4.615 -9.198 -5.084 37 1HD2 ASN 6 HD21 ASN 6 -4.008 -10.801 -6.535 38 2HD2 ASN 6 HD22 ASN 6 -2.482 -11.603 -6.428 39 HA PRO 7 HA PRO 7 -5.865 -4.163 -5.854 40 1HB PRO 7 HB2 PRO 7 -7.937 -4.382 -7.605 41 2HB PRO 7 HB1 PRO 7 -6.348 -3.764 -8.057 42 1HG PRO 7 HG2 PRO 7 -7.530 -6.453 -8.516 43 2HG PRO 7 HG1 PRO 7 -6.489 -5.488 -9.573 44 1HD PRO 7 HD2 PRO 7 -5.600 -7.590 -8.066 45 2HD PRO 7 HD1 PRO 7 -4.577 -6.238 -8.572 46 H LYS 8 HN LYS 8 -6.820 -7.404 -5.592 47 HA LYS 8 HA LYS 8 -9.418 -6.887 -4.473 48 1HB LYS 8 HB2 LYS 8 -7.765 -9.412 -4.324 49 2HB LYS 8 HB1 LYS 8 -9.475 -9.269 -3.948 50 1HG LYS 8 HG2 LYS 8 -9.615 -10.110 -6.048 51 2HG LYS 8 HG1 LYS 8 -9.585 -8.388 -6.433 52 1HD LYS 8 HD2 LYS 8 -6.956 -8.858 -6.410 53 2HD LYS 8 HD1 LYS 8 -7.521 -10.471 -6.855 54 1HE LYS 8 HE2 LYS 8 -8.202 -7.897 -8.257 55 2HE LYS 8 HE1 LYS 8 -7.062 -9.115 -8.832 56 1HZ LYS 8 HZ1 LYS 8 -9.989 -9.467 -8.469 57 2HZ LYS 8 HZ2 LYS 8 -8.923 -10.705 -8.905 58 3HZ LYS 8 HZ3 LYS 8 -9.157 -9.389 -9.941 59 H SER 9 HN SER 9 -6.311 -8.013 -3.221 60 HA SER 9 HA SER 9 -7.141 -7.846 -0.491 61 1HB SER 9 HB2 SER 9 -5.376 -9.414 -1.543 62 2HB SER 9 HB1 SER 9 -4.285 -8.035 -1.422 63 HG SER 9 HG SER 9 -4.592 -9.705 0.418 64 H LEU 10 HN LEU 10 -5.217 -5.831 -2.652 65 HA LEU 10 HA LEU 10 -4.276 -4.059 -0.666 66 1HB LEU 10 HB2 LEU 10 -4.728 -3.550 -3.601 67 2HB LEU 10 HB1 LEU 10 -3.824 -2.508 -2.527 68 HG LEU 10 HG LEU 10 -3.080 -5.266 -3.472 69 1HD1 LEU 10 HD11 LEU 10 -1.748 -4.222 -4.902 70 2HD1 LEU 10 HD12 LEU 10 -1.076 -3.211 -3.622 71 3HD1 LEU 10 HD13 LEU 10 -2.552 -2.717 -4.453 72 1HD2 LEU 10 HD21 LEU 10 -1.515 -3.644 -1.490 73 2HD2 LEU 10 HD22 LEU 10 -1.247 -5.306 -2.006 74 3HD2 LEU 10 HD23 LEU 10 -2.639 -4.912 -1.005 75 H THR 11 HN THR 11 -7.398 -4.562 -1.762 76 HA THR 11 HA THR 11 -8.131 -1.838 -0.875 77 HB THR 11 HB THR 11 -9.912 -1.734 -2.451 78 HG1 THR 11 HG1 THR 11 -10.514 -3.971 -2.356 79 1HG2 THR 11 HG21 THR 11 -7.496 -1.381 -3.257 80 2HG2 THR 11 HG22 THR 11 -8.727 -1.629 -4.490 81 3HG2 THR 11 HG23 THR 11 -7.660 -2.953 -4.033 82 H ASP 12 HN ASP 12 -7.907 -4.475 0.508 83 HA ASP 12 HA ASP 12 -10.674 -4.738 1.462 84 1HB ASP 12 HB2 ASP 12 -9.456 -6.794 0.503 85 2HB ASP 12 HB1 ASP 12 -8.454 -6.724 1.951 86 HA PRO 13 HA PRO 13 -9.187 -2.270 4.890 87 1HB PRO 13 HB2 PRO 13 -11.420 -3.822 6.171 88 2HB PRO 13 HB1 PRO 13 -11.001 -2.111 6.351 89 1HG PRO 13 HG2 PRO 13 -12.976 -2.798 4.746 90 2HG PRO 13 HG1 PRO 13 -11.809 -1.553 4.238 91 1HD PRO 13 HD2 PRO 13 -12.061 -4.402 3.357 92 2HD PRO 13 HD1 PRO 13 -11.553 -2.976 2.435 93 H LYS 14 HN LYS 14 -9.474 -5.740 4.845 94 HA LYS 14 HA LYS 14 -8.470 -6.309 7.414 95 1HB LYS 14 HB2 LYS 14 -9.415 -7.845 5.423 96 2HB LYS 14 HB1 LYS 14 -7.692 -8.098 5.177 97 1HG LYS 14 HG2 LYS 14 -9.213 -8.609 7.727 98 2HG LYS 14 HG1 LYS 14 -8.642 -9.829 6.590 99 1HD LYS 14 HD2 LYS 14 -6.871 -7.914 8.114 100 2HD LYS 14 HD1 LYS 14 -7.173 -9.597 8.563 101 1HE LYS 14 HE2 LYS 14 -6.260 -10.290 6.364 102 2HE LYS 14 HE1 LYS 14 -5.867 -8.603 6.036 103 1HZ LYS 14 HZ1 LYS 14 -4.349 -8.581 7.855 104 2HZ LYS 14 HZ2 LYS 14 -3.986 -9.930 6.901 105 3HZ LYS 14 HZ3 LYS 14 -4.822 -10.126 8.358 106 H LEU 15 HN LEU 15 -6.778 -6.171 4.288 107 HA LEU 15 HA LEU 15 -4.177 -6.294 5.441 108 1HB LEU 15 HB2 LEU 15 -5.140 -5.463 2.707 109 2HB LEU 15 HB1 LEU 15 -3.458 -5.570 3.138 110 HG LEU 15 HG LEU 15 -4.081 -7.535 1.904 111 1HD1 LEU 15 HD11 LEU 15 -3.945 -9.060 4.250 112 2HD1 LEU 15 HD12 LEU 15 -3.107 -7.543 4.597 113 3HD1 LEU 15 HD13 LEU 15 -2.606 -8.536 3.223 114 1HD2 LEU 15 HD21 LEU 15 -5.800 -9.057 2.628 115 2HD2 LEU 15 HD22 LEU 15 -6.501 -7.449 2.445 116 3HD2 LEU 15 HD23 LEU 15 -6.132 -8.072 4.053 117 H LEU 16 HN LEU 16 -6.187 -3.733 4.112 118 HA LEU 16 HA LEU 16 -4.429 -1.620 4.181 119 1HB LEU 16 HB2 LEU 16 -7.364 -1.474 4.865 120 2HB LEU 16 HB1 LEU 16 -6.373 -0.207 4.173 121 HG LEU 16 HG LEU 16 -6.860 -2.801 2.745 122 1HD1 LEU 16 HD11 LEU 16 -8.801 -2.081 1.849 123 2HD1 LEU 16 HD12 LEU 16 -8.328 -0.387 1.909 124 3HD1 LEU 16 HD13 LEU 16 -8.906 -1.189 3.366 125 1HD2 LEU 16 HD21 LEU 16 -5.198 -0.553 2.299 126 2HD2 LEU 16 HD22 LEU 16 -6.459 -0.547 1.070 127 3HD2 LEU 16 HD23 LEU 16 -5.436 -1.965 1.272 128 H LYS 17 HN LYS 17 -6.583 -2.709 6.809 129 HA LYS 17 HA LYS 17 -5.668 -0.760 8.661 130 1HB LYS 17 HB2 LYS 17 -7.066 -3.405 9.091 131 2HB LYS 17 HB1 LYS 17 -6.755 -2.237 10.366 132 1HG LYS 17 HG2 LYS 17 -8.167 -0.621 9.313 133 2HG LYS 17 HG1 LYS 17 -8.358 -1.650 7.892 134 1HD LYS 17 HD2 LYS 17 -9.584 -3.272 9.144 135 2HD LYS 17 HD1 LYS 17 -9.220 -2.452 10.664 136 1HE LYS 17 HE2 LYS 17 -10.491 -0.500 9.884 137 2HE LYS 17 HE1 LYS 17 -10.901 -1.369 8.405 138 1HZ LYS 17 HZ1 LYS 17 -11.567 -2.414 11.096 139 2HZ LYS 17 HZ2 LYS 17 -12.193 -2.904 9.602 140 3HZ LYS 17 HZ3 LYS 17 -12.610 -1.395 10.240 141 H ASN 18 HN ASN 18 -4.516 -3.840 7.619 142 HA ASN 18 HA ASN 18 -2.403 -3.784 9.676 143 1HB ASN 18 HB2 ASN 18 -4.072 -5.860 9.245 144 2HB ASN 18 HB1 ASN 18 -2.858 -6.227 8.028 145 1HD2 ASN 18 HD21 ASN 18 -2.359 -8.120 9.206 146 2HD2 ASN 18 HD22 ASN 18 -1.363 -8.046 10.615 147 H ILE 19 HN ILE 19 -1.606 -2.067 8.099 148 HA ILE 19 HA ILE 19 -0.862 -2.349 5.536 149 HB ILE 19 HB ILE 19 0.705 -1.072 7.759 150 1HG1 ILE 19 HG12 ILE 19 -1.460 -0.046 7.125 151 2HG1 ILE 19 HG11 ILE 19 -0.099 1.000 6.764 152 1HG2 ILE 19 HG21 ILE 19 1.307 -0.662 4.844 153 2HG2 ILE 19 HG22 ILE 19 2.157 -1.859 5.814 154 3HG2 ILE 19 HG23 ILE 19 2.248 -0.156 6.243 155 1HD1 ILE 19 HD11 ILE 19 -1.434 1.210 4.897 156 2HD1 ILE 19 HD12 ILE 19 -1.856 -0.499 4.865 157 3HD1 ILE 19 HD13 ILE 19 -0.240 0.021 4.389 158 HA PRO 20 HA PRO 20 3.325 -4.694 6.910 159 1HB PRO 20 HB2 PRO 20 1.807 -6.303 8.938 160 2HB PRO 20 HB1 PRO 20 3.532 -5.893 8.898 161 1HG PRO 20 HG2 PRO 20 1.904 -4.570 10.507 162 2HG PRO 20 HG1 PRO 20 3.158 -3.702 9.605 163 1HD PRO 20 HD2 PRO 20 0.217 -3.806 9.142 164 2HD PRO 20 HD1 PRO 20 1.361 -2.480 8.854 165 H MET 21 HN MET 21 0.128 -6.108 7.348 166 HA MET 21 HA MET 21 0.638 -8.484 5.867 167 1HB MET 21 HB2 MET 21 -1.167 -7.807 7.694 168 2HB MET 21 HB1 MET 21 -2.118 -7.413 6.268 169 1HG MET 21 HG2 MET 21 -2.448 -9.701 7.251 170 2HG MET 21 HG1 MET 21 -2.123 -9.633 5.521 171 1HE MET 21 HE1 MET 21 -0.288 -9.588 8.866 172 2HE MET 21 HE2 MET 21 1.134 -9.158 7.910 173 3HE MET 21 HE3 MET 21 1.032 -10.743 8.679 174 H TRP 22 HN TRP 22 -0.949 -5.401 5.189 175 HA TRP 22 HA TRP 22 -1.867 -5.835 2.627 176 1HB TRP 22 HB2 TRP 22 -2.278 -3.818 3.989 177 2HB TRP 22 HB1 TRP 22 -0.613 -3.316 3.757 178 HD1 TRP 22 HD1 TRP 22 -3.894 -3.739 1.786 179 HE1 TRP 22 HE1 TRP 22 -3.775 -2.229 -0.295 180 HE3 TRP 22 HE3 TRP 22 0.939 -2.124 2.245 181 HZ2 TRP 22 HZ2 TRP 22 -1.873 -0.590 -1.587 182 HZ3 TRP 22 HZ3 TRP 22 1.829 -0.590 0.531 183 HH2 TRP 22 HH2 TRP 22 0.450 0.166 -1.334 184 H LEU 23 HN LEU 23 1.334 -5.158 3.810 185 HA LEU 23 HA LEU 23 2.572 -4.837 1.257 186 1HB LEU 23 HB2 LEU 23 3.578 -5.227 4.063 187 2HB LEU 23 HB1 LEU 23 4.668 -5.201 2.698 188 HG LEU 23 HG LEU 23 2.824 -2.947 3.468 189 1HD1 LEU 23 HD11 LEU 23 5.247 -1.931 3.832 190 2HD1 LEU 23 HD12 LEU 23 5.621 -3.618 4.200 191 3HD1 LEU 23 HD13 LEU 23 4.372 -2.767 5.112 192 1HD2 LEU 23 HD21 LEU 23 3.961 -1.659 1.807 193 2HD2 LEU 23 HD22 LEU 23 3.377 -3.142 1.048 194 3HD2 LEU 23 HD23 LEU 23 5.081 -2.980 1.476 195 H LYS 24 HN LYS 24 1.804 -7.535 3.338 196 HA LYS 24 HA LYS 24 3.644 -9.390 2.403 197 1HB LYS 24 HB2 LYS 24 2.565 -9.929 4.388 198 2HB LYS 24 HB1 LYS 24 0.979 -9.557 3.736 199 1HG LYS 24 HG2 LYS 24 0.915 -11.800 3.738 200 2HG LYS 24 HG1 LYS 24 1.510 -11.477 2.123 201 1HD LYS 24 HD2 LYS 24 3.431 -11.898 4.369 202 2HD LYS 24 HD1 LYS 24 2.668 -13.285 3.597 203 1HE LYS 24 HE2 LYS 24 4.175 -11.147 2.110 204 2HE LYS 24 HE1 LYS 24 4.902 -12.657 2.660 205 1HZ LYS 24 HZ1 LYS 24 3.360 -13.881 1.287 206 2HZ LYS 24 HZ2 LYS 24 4.193 -12.758 0.336 207 3HZ LYS 24 HZ3 LYS 24 2.596 -12.453 0.799 208 H SER 25 HN SER 25 0.463 -8.373 1.280 209 HA SER 25 HA SER 25 0.266 -10.340 -0.780 210 1HB SER 25 HB2 SER 25 -1.179 -7.686 -0.481 211 2HB SER 25 HB1 SER 25 -1.614 -8.967 -1.612 212 HG SER 25 HG SER 25 -2.413 -10.131 -0.015 213 H LEU 26 HN LEU 26 2.176 -7.664 -0.360 214 HA LEU 26 HA LEU 26 2.597 -7.302 -3.255 215 1HB LEU 26 HB2 LEU 26 3.294 -5.399 -1.016 216 2HB LEU 26 HB1 LEU 26 3.485 -5.100 -2.734 217 HG LEU 26 HG LEU 26 0.837 -5.532 -1.364 218 1HD1 LEU 26 HD11 LEU 26 0.522 -3.103 -1.740 219 2HD1 LEU 26 HD12 LEU 26 2.214 -2.990 -2.221 220 3HD1 LEU 26 HD13 LEU 26 1.794 -3.471 -0.576 221 1HD2 LEU 26 HD21 LEU 26 0.493 -4.178 -3.760 222 2HD2 LEU 26 HD22 LEU 26 0.113 -5.869 -3.435 223 3HD2 LEU 26 HD23 LEU 26 1.676 -5.432 -4.129 224 H ARG 27 HN ARG 27 3.756 -8.881 -0.691 225 HA ARG 27 HA ARG 27 5.697 -9.936 -0.201 226 1HB ARG 27 HB2 ARG 27 6.224 -9.058 -3.006 227 2HB ARG 27 HB1 ARG 27 7.554 -9.703 -2.055 228 1HG ARG 27 HG2 ARG 27 4.963 -11.106 -2.675 229 2HG ARG 27 HG1 ARG 27 6.538 -11.442 -3.396 230 1HD ARG 27 HD2 ARG 27 7.360 -11.904 -1.044 231 2HD ARG 27 HD1 ARG 27 5.668 -11.868 -0.548 232 HE ARG 27 HE ARG 27 5.984 -13.643 -2.714 233 1HH1 ARG 27 HH11 ARG 27 6.706 -13.352 0.682 234 2HH1 ARG 27 HH12 ARG 27 6.676 -15.061 0.965 235 1HH2 ARG 27 HH21 ARG 27 5.941 -15.892 -2.350 236 2HH2 ARG 27 HH22 ARG 27 6.241 -16.505 -0.759 237 H LEU 28 HN LEU 28 5.315 -6.751 -0.159 238 HA LEU 28 HA LEU 28 8.108 -6.077 0.451 239 1HB LEU 28 HB2 LEU 28 5.614 -4.393 0.161 240 2HB LEU 28 HB1 LEU 28 7.142 -3.739 0.721 241 HG LEU 28 HG LEU 28 7.521 -5.170 -1.757 242 1HD1 LEU 28 HD11 LEU 28 6.247 -3.502 -3.154 243 2HD1 LEU 28 HD12 LEU 28 5.354 -3.088 -1.689 244 3HD1 LEU 28 HD13 LEU 28 5.274 -4.726 -2.339 245 1HD2 LEU 28 HD21 LEU 28 8.144 -2.700 -2.379 246 2HD2 LEU 28 HD22 LEU 28 9.153 -3.635 -1.277 247 3HD2 LEU 28 HD23 LEU 28 8.009 -2.454 -0.638 248 H HIS 29 HN HIS 29 6.255 -7.785 2.176 249 HA HIS 29 HA HIS 29 5.642 -6.322 4.494 250 1HB HIS 29 HB2 HIS 29 5.864 -8.512 5.704 251 2HB HIS 29 HB1 HIS 29 4.772 -8.557 4.320 252 HD1 HIS 29 HD1 HIS 29 6.073 -9.460 2.018 253 HD2 HIS 29 HD2 HIS 29 7.596 -10.582 5.718 254 HE1 HIS 29 HE1 HIS 29 7.506 -11.476 1.570 255 HE2 HIS 29 HE2 HIS 29 8.341 -12.195 3.837 256 H LYS 30 HN LYS 30 8.493 -7.101 2.983 257 HA LYS 30 HA LYS 30 10.391 -7.318 4.996 258 1HB LYS 30 HB2 LYS 30 11.833 -6.118 3.188 259 2HB LYS 30 HB1 LYS 30 11.176 -7.698 2.823 260 1HG LYS 30 HG2 LYS 30 9.227 -5.970 1.951 261 2HG LYS 30 HG1 LYS 30 10.722 -5.122 1.579 262 1HD LYS 30 HD2 LYS 30 10.753 -7.977 0.924 263 2HD LYS 30 HD1 LYS 30 9.592 -7.018 -0.002 264 1HE LYS 30 HE2 LYS 30 11.392 -5.427 -0.511 265 2HE LYS 30 HE1 LYS 30 12.538 -6.494 0.294 266 1HZ LYS 30 HZ1 LYS 30 10.903 -7.193 -2.089 267 2HZ LYS 30 HZ2 LYS 30 12.007 -8.218 -1.317 268 3HZ LYS 30 HZ3 LYS 30 12.554 -6.823 -2.102 269 H TYR 31 HN TYR 31 8.903 -4.537 3.472 270 HA TYR 31 HA TYR 31 10.235 -2.698 5.309 271 1HB TYR 31 HB2 TYR 31 8.531 -2.196 2.865 272 2HB TYR 31 HB1 TYR 31 9.308 -0.946 3.831 273 HD1 TYR 31 HD1 TYR 31 9.579 -2.661 0.894 274 HD2 TYR 31 HD2 TYR 31 11.961 -1.598 4.252 275 HE1 TYR 31 HE1 TYR 31 11.613 -2.940 -0.463 276 HE2 TYR 31 HE2 TYR 31 14.000 -1.863 2.902 277 HH TYR 31 HH TYR 31 14.729 -3.047 0.885 278 H SER 32 HN SER 32 7.980 -4.590 5.988 279 HA SER 32 HA SER 32 5.612 -3.140 6.379 280 1HB SER 32 HB2 SER 32 6.789 -5.556 7.716 281 2HB SER 32 HB1 SER 32 5.295 -4.842 8.319 282 HG SER 32 HG SER 32 4.953 -6.514 6.765 283 H ASP 33 HN ASP 33 8.400 -3.665 8.476 284 HA ASP 33 HA ASP 33 7.483 -2.272 10.711 285 1HB ASP 33 HB2 ASP 33 9.585 -3.691 10.493 286 2HB ASP 33 HB1 ASP 33 10.352 -2.280 9.780 287 H ALA 34 HN ALA 34 9.151 -1.125 7.832 288 HA ALA 34 HA ALA 34 9.347 1.591 8.744 289 1HB ALA 34 HB1 ALA 34 10.410 2.060 6.705 290 2HB ALA 34 HB2 ALA 34 9.696 0.655 5.916 291 3HB ALA 34 HB3 ALA 34 10.935 0.439 7.155 292 H LEU 35 HN LEU 35 6.980 -0.225 6.984 293 HA LEU 35 HA LEU 35 5.652 2.266 6.173 294 1HB LEU 35 HB2 LEU 35 5.688 -0.506 5.100 295 2HB LEU 35 HB1 LEU 35 4.238 0.444 4.864 296 HG LEU 35 HG LEU 35 5.161 1.685 3.239 297 1HD1 LEU 35 HD11 LEU 35 7.468 2.538 3.210 298 2HD1 LEU 35 HD12 LEU 35 7.796 1.681 4.713 299 3HD1 LEU 35 HD13 LEU 35 6.599 2.974 4.679 300 1HD2 LEU 35 HD21 LEU 35 5.660 -0.345 2.257 301 2HD2 LEU 35 HD22 LEU 35 6.941 -0.724 3.413 302 3HD2 LEU 35 HD23 LEU 35 7.203 0.503 2.167 303 H SER 36 HN SER 36 5.493 -0.038 8.584 304 HA SER 36 HA SER 36 2.691 -0.423 8.782 305 1HB SER 36 HB2 SER 36 4.311 -1.932 9.886 306 2HB SER 36 HB1 SER 36 4.785 -0.620 10.966 307 HG SER 36 HG SER 36 2.484 -0.578 11.574 308 H GLY 37 HN GLY 37 4.945 1.792 10.411 309 1HA GLY 37 HA2 GLY 37 3.170 3.046 12.136 310 2HA GLY 37 HA1 GLY 37 4.586 3.817 11.435 311 H THR 38 HN THR 38 3.197 3.105 8.739 312 HA THR 38 HA THR 38 1.499 5.501 8.698 313 HB THR 38 HB THR 38 2.933 4.260 6.347 314 HG1 THR 38 HG1 THR 38 4.277 5.225 8.108 315 1HG2 THR 38 HG21 THR 38 0.817 5.871 6.235 316 2HG2 THR 38 HG22 THR 38 2.149 5.990 5.084 317 3HG2 THR 38 HG23 THR 38 2.066 7.098 6.455 318 HA PRO 39 HA PRO 39 -1.863 2.618 7.861 319 1HB PRO 39 HB2 PRO 39 -3.739 4.462 7.225 320 2HB PRO 39 HB1 PRO 39 -3.231 4.169 8.892 321 1HG PRO 39 HG2 PRO 39 -2.261 6.257 6.976 322 2HG PRO 39 HG1 PRO 39 -2.824 6.478 8.642 323 1HD PRO 39 HD2 PRO 39 -0.224 6.369 8.123 324 2HD PRO 39 HD1 PRO 39 -0.882 5.518 9.540 325 H TRP 40 HN TRP 40 -3.609 2.502 5.993 326 HA TRP 40 HA TRP 40 -2.133 2.411 3.555 327 1HB TRP 40 HB2 TRP 40 -4.106 1.528 2.516 328 2HB TRP 40 HB1 TRP 40 -3.943 0.783 4.095 329 HD1 TRP 40 HD1 TRP 40 -5.725 1.608 6.008 330 HE1 TRP 40 HE1 TRP 40 -8.130 2.497 5.753 331 HE3 TRP 40 HE3 TRP 40 -5.612 2.902 1.051 332 HZ2 TRP 40 HZ2 TRP 40 -9.740 3.617 3.746 333 HZ3 TRP 40 HZ3 TRP 40 -7.633 3.891 0.052 334 HH2 TRP 40 HH2 TRP 40 -9.655 4.233 1.373 335 H ILE 41 HN ILE 41 -4.840 4.397 4.717 336 HA ILE 41 HA ILE 41 -5.295 5.919 2.472 337 HB ILE 41 HB ILE 41 -6.472 5.976 4.776 338 1HG1 ILE 41 HG12 ILE 41 -6.603 8.722 4.095 339 2HG1 ILE 41 HG11 ILE 41 -6.309 7.838 2.596 340 1HG2 ILE 41 HG21 ILE 41 -4.661 8.335 5.213 341 2HG2 ILE 41 HG22 ILE 41 -4.349 6.755 5.929 342 3HG2 ILE 41 HG23 ILE 41 -5.829 7.627 6.329 343 1HD1 ILE 41 HD11 ILE 41 -8.515 7.224 4.549 344 2HD1 ILE 41 HD12 ILE 41 -8.252 6.470 2.976 345 3HD1 ILE 41 HD13 ILE 41 -8.697 8.174 3.075 346 H GLU 42 HN GLU 42 -2.580 5.992 4.629 347 HA GLU 42 HA GLU 42 -1.600 8.481 3.424 348 1HB GLU 42 HB2 GLU 42 -0.784 6.915 5.862 349 2HB GLU 42 HB1 GLU 42 0.262 8.150 5.175 350 1HG GLU 42 HG2 GLU 42 -1.525 9.806 5.467 351 2HG GLU 42 HG1 GLU 42 -2.539 8.562 6.198 352 H LEU 43 HN LEU 43 -0.948 5.070 3.737 353 HA LEU 43 HA LEU 43 1.589 4.920 2.567 354 1HB LEU 43 HB2 LEU 43 -0.481 3.150 3.354 355 2HB LEU 43 HB1 LEU 43 -0.017 2.712 1.727 356 HG LEU 43 HG LEU 43 1.193 1.392 3.397 357 1HD1 LEU 43 HD11 LEU 43 3.493 1.880 2.609 358 2HD1 LEU 43 HD12 LEU 43 2.871 3.349 1.855 359 3HD1 LEU 43 HD13 LEU 43 2.303 1.771 1.312 360 1HD2 LEU 43 HD21 LEU 43 2.263 2.238 5.173 361 2HD2 LEU 43 HD22 LEU 43 1.239 3.648 4.898 362 3HD2 LEU 43 HD23 LEU 43 2.885 3.618 4.271 363 H ILE 44 HN ILE 44 -1.577 4.331 1.143 364 HA ILE 44 HA ILE 44 -0.885 4.209 -1.523 365 HB ILE 44 HB ILE 44 -3.217 4.603 -2.010 366 1HG1 ILE 44 HG12 ILE 44 -3.644 5.352 0.881 367 2HG1 ILE 44 HG11 ILE 44 -3.373 6.560 -0.356 368 1HG2 ILE 44 HG21 ILE 44 -4.212 3.041 -0.212 369 2HG2 ILE 44 HG22 ILE 44 -2.568 2.975 0.421 370 3HG2 ILE 44 HG23 ILE 44 -2.903 2.439 -1.225 371 1HD1 ILE 44 HD11 ILE 44 -5.784 5.838 0.394 372 2HD1 ILE 44 HD12 ILE 44 -5.520 4.568 -0.799 373 3HD1 ILE 44 HD13 ILE 44 -5.429 6.261 -1.277 374 H TYR 45 HN TYR 45 -0.637 6.870 0.504 375 HA TYR 45 HA TYR 45 -0.896 8.760 -1.735 376 1HB TYR 45 HB2 TYR 45 -1.240 9.042 1.215 377 2HB TYR 45 HB1 TYR 45 -0.714 10.444 0.293 378 HD1 TYR 45 HD1 TYR 45 -2.964 8.045 -1.325 379 HD2 TYR 45 HD2 TYR 45 -2.756 11.622 0.979 380 HE1 TYR 45 HE1 TYR 45 -5.314 8.534 -1.883 381 HE2 TYR 45 HE2 TYR 45 -5.097 12.120 0.419 382 HH TYR 45 HH TYR 45 -7.183 9.841 -0.975 383 H LEU 46 HN LEU 46 1.412 7.197 0.240 384 HA LEU 46 HA LEU 46 3.448 9.130 0.359 385 1HB LEU 46 HB2 LEU 46 3.838 6.158 0.046 386 2HB LEU 46 HB1 LEU 46 4.997 7.299 0.668 387 HG LEU 46 HG LEU 46 2.481 6.354 2.015 388 1HD1 LEU 46 HD11 LEU 46 4.148 5.674 3.754 389 2HD1 LEU 46 HD12 LEU 46 5.427 6.097 2.609 390 3HD1 LEU 46 HD13 LEU 46 4.284 4.805 2.226 391 1HD2 LEU 46 HD21 LEU 46 4.103 8.780 2.460 392 2HD2 LEU 46 HD22 LEU 46 3.708 7.827 3.891 393 3HD2 LEU 46 HD23 LEU 46 2.416 8.451 2.862 394 H ASP 47 HN ASP 47 5.671 8.164 -0.788 395 HA ASP 47 HA ASP 47 5.261 7.626 -3.597 396 1HB ASP 47 HB2 ASP 47 6.627 10.191 -2.744 397 2HB ASP 47 HB1 ASP 47 6.489 9.594 -4.394 398 H ASP 48 HN ASP 48 7.413 7.457 -4.729 399 HA ASP 48 HA ASP 48 9.037 5.574 -3.612 400 1HB ASP 48 HB2 ASP 48 9.496 5.862 -5.849 401 2HB ASP 48 HB1 ASP 48 9.432 7.618 -5.747 402 H GLU 49 HN GLU 49 9.435 9.073 -3.455 403 HA GLU 49 HA GLU 49 11.844 9.152 -2.051 404 1HB GLU 49 HB2 GLU 49 10.781 11.126 -3.083 405 2HB GLU 49 HB1 GLU 49 9.542 11.093 -1.836 406 1HG GLU 49 HG2 GLU 49 11.253 11.478 -0.131 407 2HG GLU 49 HG1 GLU 49 12.486 11.527 -1.388 408 H THR 50 HN THR 50 8.596 9.630 -0.610 409 HA THR 50 HA THR 50 9.317 9.629 2.030 410 HB THR 50 HB THR 50 6.805 8.469 0.820 411 HG1 THR 50 HG1 THR 50 6.095 10.629 1.782 412 1HG2 THR 50 HG21 THR 50 7.212 7.629 3.096 413 2HG2 THR 50 HG22 THR 50 5.814 8.702 3.026 414 3HG2 THR 50 HG23 THR 50 7.345 9.289 3.675 415 H LEU 51 HN LEU 51 8.313 6.747 0.175 416 HA LEU 51 HA LEU 51 8.577 4.813 2.085 417 1HB LEU 51 HB2 LEU 51 9.103 4.871 -0.854 418 2HB LEU 51 HB1 LEU 51 9.342 3.391 0.052 419 HG LEU 51 HG LEU 51 6.947 3.688 0.868 420 1HD1 LEU 51 HD11 LEU 51 6.836 6.073 0.084 421 2HD1 LEU 51 HD12 LEU 51 5.462 5.048 -0.317 422 3HD1 LEU 51 HD13 LEU 51 6.667 5.427 -1.547 423 1HD2 LEU 51 HD21 LEU 51 7.163 1.926 -0.569 424 2HD2 LEU 51 HD22 LEU 51 7.807 2.924 -1.869 425 3HD2 LEU 51 HD23 LEU 51 6.082 2.961 -1.502 426 H GLU 52 HN GLU 52 11.127 6.270 0.101 427 HA GLU 52 HA GLU 52 13.241 4.617 0.893 428 1HB GLU 52 HB2 GLU 52 13.226 6.444 -0.900 429 2HB GLU 52 HB1 GLU 52 13.500 7.585 0.411 430 1HG GLU 52 HG2 GLU 52 15.547 6.310 1.010 431 2HG GLU 52 HG1 GLU 52 15.300 5.327 -0.431 432 H LYS 53 HN LYS 53 12.055 7.680 2.199 433 HA LYS 53 HA LYS 53 13.763 7.969 4.344 434 1HB LYS 53 HB2 LYS 53 10.959 8.804 3.793 435 2HB LYS 53 HB1 LYS 53 11.667 9.139 5.368 436 1HG LYS 53 HG2 LYS 53 12.137 11.050 4.225 437 2HG LYS 53 HG1 LYS 53 13.602 10.122 3.949 438 1HD LYS 53 HD2 LYS 53 11.466 9.734 1.983 439 2HD LYS 53 HD1 LYS 53 12.194 11.343 2.003 440 1HE LYS 53 HE2 LYS 53 13.685 8.740 1.796 441 2HE LYS 53 HE1 LYS 53 13.335 9.819 0.445 442 1HZ LYS 53 HZ1 LYS 53 15.580 10.144 1.278 443 2HZ LYS 53 HZ2 LYS 53 14.988 10.499 2.821 444 3HZ LYS 53 HZ3 LYS 53 14.652 11.536 1.528 445 H LYS 54 HN LYS 54 10.865 5.949 4.103 446 HA LYS 54 HA LYS 54 10.668 5.368 6.877 447 1HB LYS 54 HB2 LYS 54 9.734 3.446 4.772 448 2HB LYS 54 HB1 LYS 54 8.980 3.881 6.298 449 1HG LYS 54 HG2 LYS 54 9.165 5.713 3.924 450 2HG LYS 54 HG1 LYS 54 7.759 4.724 4.319 451 1HD LYS 54 HD2 LYS 54 8.586 6.187 6.636 452 2HD LYS 54 HD1 LYS 54 8.395 7.295 5.277 453 1HE LYS 54 HE2 LYS 54 6.143 6.717 4.978 454 2HE LYS 54 HE1 LYS 54 6.321 5.231 5.910 455 1HZ LYS 54 HZ1 LYS 54 6.382 6.425 7.910 456 2HZ LYS 54 HZ2 LYS 54 5.144 7.161 7.024 457 3HZ LYS 54 HZ3 LYS 54 6.658 7.904 7.137 458 H GLY 55 HN GLY 55 11.878 3.583 4.099 459 1HA GLY 55 HA2 GLY 55 14.225 2.647 5.112 460 2HA GLY 55 HA1 GLY 55 13.030 1.472 5.652 461 H VAL 56 HN VAL 56 11.559 2.365 3.058 462 HA VAL 56 HA VAL 56 12.399 0.177 1.455 463 HB VAL 56 HB VAL 56 10.710 2.481 0.515 464 1HG1 VAL 56 HG11 VAL 56 9.632 0.804 -0.862 465 2HG1 VAL 56 HG12 VAL 56 10.694 -0.418 -0.190 466 3HG1 VAL 56 HG13 VAL 56 11.366 0.872 -1.171 467 1HG2 VAL 56 HG21 VAL 56 8.857 0.720 1.335 468 2HG2 VAL 56 HG22 VAL 56 9.420 2.061 2.336 469 3HG2 VAL 56 HG23 VAL 56 10.098 0.445 2.557 470 H LEU 57 HN LEU 57 14.606 0.581 1.128 471 HA LEU 57 HA LEU 57 15.439 2.972 -0.285 472 1HB LEU 57 HB2 LEU 57 16.802 0.678 1.036 473 2HB LEU 57 HB1 LEU 57 17.694 1.613 -0.148 474 HG LEU 57 HG LEU 57 17.893 3.425 1.224 475 1HD1 LEU 57 HD11 LEU 57 16.245 3.930 3.073 476 2HD1 LEU 57 HD12 LEU 57 15.236 2.651 2.396 477 3HD1 LEU 57 HD13 LEU 57 15.629 4.068 1.427 478 1HD2 LEU 57 HD21 LEU 57 18.793 1.411 2.399 479 2HD2 LEU 57 HD22 LEU 57 17.298 1.365 3.336 480 3HD2 LEU 57 HD23 LEU 57 18.374 2.757 3.460 481 H ALA 58 HN ALA 58 14.462 -0.193 -1.092 482 HA ALA 58 HA ALA 58 16.027 -0.539 -3.452 483 1HB ALA 58 HB1 ALA 58 14.984 -2.523 -3.649 484 2HB ALA 58 HB2 ALA 58 13.397 -1.826 -3.326 485 3HB ALA 58 HB3 ALA 58 14.489 -2.192 -1.987 486 H LEU 59 HN LEU 59 15.916 0.919 -5.037 487 HA LEU 59 HA LEU 59 13.819 2.593 -5.677 488 1HB LEU 59 HB2 LEU 59 16.042 1.392 -7.290 489 2HB LEU 59 HB1 LEU 59 14.799 2.319 -8.107 490 HG LEU 59 HG LEU 59 16.830 3.633 -7.579 491 1HD1 LEU 59 HD11 LEU 59 15.622 5.544 -6.524 492 2HD1 LEU 59 HD12 LEU 59 14.253 4.461 -6.261 493 3HD1 LEU 59 HD13 LEU 59 14.788 4.826 -7.902 494 1HD2 LEU 59 HD21 LEU 59 17.397 4.215 -5.343 495 2HD2 LEU 59 HD22 LEU 59 17.292 2.457 -5.424 496 3HD2 LEU 59 HD23 LEU 59 15.979 3.383 -4.705 497 H GLY 60 HN GLY 60 14.319 -0.762 -6.342 498 1HA GLY 60 HA2 GLY 60 12.233 -1.018 -8.265 499 2HA GLY 60 HA1 GLY 60 13.052 -2.333 -7.443 500 H ALA 61 HN ALA 61 12.491 -1.558 -4.788 501 HA ALA 61 HA ALA 61 9.884 -2.683 -4.522 502 1HB ALA 61 HB1 ALA 61 10.428 -3.071 -2.380 503 2HB ALA 61 HB2 ALA 61 11.154 -1.483 -2.150 504 3HB ALA 61 HB3 ALA 61 12.054 -2.757 -2.976 505 H ARG 62 HN ARG 62 11.178 0.535 -3.516 506 HA ARG 62 HA ARG 62 8.673 1.425 -2.615 507 1HB ARG 62 HB2 ARG 62 9.705 3.755 -2.898 508 2HB ARG 62 HB1 ARG 62 10.417 2.660 -1.749 509 1HG ARG 62 HG2 ARG 62 12.229 2.173 -3.251 510 2HG ARG 62 HG1 ARG 62 11.482 3.169 -4.504 511 1HD ARG 62 HD2 ARG 62 11.651 5.118 -3.014 512 2HD ARG 62 HD1 ARG 62 12.454 4.130 -1.806 513 HE ARG 62 HE ARG 62 14.063 3.796 -3.908 514 1HH1 ARG 62 HH11 ARG 62 12.607 6.686 -2.612 515 2HH1 ARG 62 HH12 ARG 62 13.918 7.714 -3.082 516 1HH2 ARG 62 HH21 ARG 62 15.799 5.155 -4.522 517 2HH2 ARG 62 HH22 ARG 62 15.728 6.846 -4.164 518 H ARG 63 HN ARG 63 10.409 2.471 -5.525 519 HA ARG 63 HA ARG 63 8.414 3.946 -6.686 520 1HB ARG 63 HB2 ARG 63 10.323 2.101 -8.125 521 2HB ARG 63 HB1 ARG 63 9.397 3.386 -8.883 522 1HG ARG 63 HG2 ARG 63 10.564 4.981 -7.315 523 2HG ARG 63 HG1 ARG 63 11.631 3.640 -6.894 524 1HD ARG 63 HD2 ARG 63 11.225 4.836 -9.633 525 2HD ARG 63 HD1 ARG 63 12.655 4.999 -8.615 526 HE ARG 63 HE ARG 63 12.235 2.282 -9.008 527 1HH1 ARG 63 HH11 ARG 63 12.981 5.093 -10.924 528 2HH1 ARG 63 HH12 ARG 63 13.864 4.203 -12.120 529 1HH2 ARG 63 HH21 ARG 63 13.396 1.101 -10.575 530 2HH2 ARG 63 HH22 ARG 63 14.100 1.934 -11.921 531 H LYS 64 HN LYS 64 8.546 0.518 -6.235 532 HA LYS 64 HA LYS 64 6.545 -0.155 -8.190 533 1HB LYS 64 HB2 LYS 64 8.185 -1.556 -6.226 534 2HB LYS 64 HB1 LYS 64 6.541 -2.183 -6.300 535 1HG LYS 64 HG2 LYS 64 6.910 -2.229 -8.857 536 2HG LYS 64 HG1 LYS 64 8.622 -2.127 -8.446 537 1HD LYS 64 HD2 LYS 64 6.810 -4.187 -7.219 538 2HD LYS 64 HD1 LYS 64 7.620 -4.458 -8.763 539 1HE LYS 64 HE2 LYS 64 9.038 -3.734 -6.203 540 2HE LYS 64 HE1 LYS 64 8.831 -5.385 -6.789 541 1HZ LYS 64 HZ1 LYS 64 10.205 -3.229 -8.301 542 2HZ LYS 64 HZ2 LYS 64 10.103 -4.861 -8.735 543 3HZ LYS 64 HZ3 LYS 64 10.997 -4.403 -7.374 544 H LEU 65 HN LEU 65 6.579 0.233 -4.667 545 HA LEU 65 HA LEU 65 3.946 -0.423 -4.143 546 1HB LEU 65 HB2 LEU 65 6.022 1.194 -2.818 547 2HB LEU 65 HB1 LEU 65 4.370 1.520 -2.322 548 HG LEU 65 HG LEU 65 5.028 -1.331 -2.426 549 1HD1 LEU 65 HD11 LEU 65 6.368 0.400 -0.361 550 2HD1 LEU 65 HD12 LEU 65 7.187 -0.402 -1.702 551 3HD1 LEU 65 HD13 LEU 65 6.398 -1.362 -0.449 552 1HD2 LEU 65 HD21 LEU 65 3.839 -1.340 -0.334 553 2HD2 LEU 65 HD22 LEU 65 2.951 -0.365 -1.503 554 3HD2 LEU 65 HD23 LEU 65 3.908 0.419 -0.246 555 H LEU 66 HN LEU 66 5.298 2.457 -5.544 556 HA LEU 66 HA LEU 66 3.212 4.252 -5.187 557 1HB LEU 66 HB2 LEU 66 5.350 3.907 -7.222 558 2HB LEU 66 HB1 LEU 66 4.038 5.012 -7.597 559 HG LEU 66 HG LEU 66 5.353 5.311 -4.951 560 1HD1 LEU 66 HD11 LEU 66 6.691 5.787 -7.571 561 2HD1 LEU 66 HD12 LEU 66 7.360 5.196 -6.048 562 3HD1 LEU 66 HD13 LEU 66 6.972 6.906 -6.238 563 1HD2 LEU 66 HD21 LEU 66 4.943 7.681 -5.436 564 2HD2 LEU 66 HD22 LEU 66 3.471 6.717 -5.568 565 3HD2 LEU 66 HD23 LEU 66 4.318 7.241 -7.025 566 H LYS 67 HN LYS 67 3.449 1.460 -7.217 567 HA LYS 67 HA LYS 67 1.205 2.134 -8.889 568 1HB LYS 67 HB2 LYS 67 3.022 0.587 -9.619 569 2HB LYS 67 HB1 LYS 67 2.461 -0.572 -8.418 570 1HG LYS 67 HG2 LYS 67 0.415 -0.892 -9.543 571 2HG LYS 67 HG1 LYS 67 0.681 0.505 -10.585 572 1HD LYS 67 HD2 LYS 67 1.179 -1.318 -11.949 573 2HD LYS 67 HD1 LYS 67 2.749 -0.752 -11.385 574 1HE LYS 67 HE2 LYS 67 1.249 -2.928 -9.974 575 2HE LYS 67 HE1 LYS 67 2.317 -3.271 -11.335 576 1HZ LYS 67 HZ1 LYS 67 4.111 -2.152 -10.072 577 2HZ LYS 67 HZ2 LYS 67 3.532 -3.549 -9.316 578 3HZ LYS 67 HZ3 LYS 67 3.067 -2.027 -8.746 579 H ALA 68 HN ALA 68 1.855 0.222 -6.029 580 HA ALA 68 HA ALA 68 -0.747 -0.893 -5.762 581 1HB ALA 68 HB1 ALA 68 -0.004 -1.431 -3.451 582 2HB ALA 68 HB2 ALA 68 1.475 -0.513 -3.747 583 3HB ALA 68 HB3 ALA 68 1.130 -1.963 -4.692 584 H PHE 69 HN PHE 69 0.661 2.148 -5.036 585 HA PHE 69 HA PHE 69 -1.124 2.977 -2.985 586 1HB PHE 69 HB2 PHE 69 0.700 4.488 -4.862 587 2HB PHE 69 HB1 PHE 69 -0.251 5.269 -3.614 588 HD1 PHE 69 HD1 PHE 69 0.457 2.380 -2.016 589 HD2 PHE 69 HD2 PHE 69 2.504 5.783 -3.556 590 HE1 PHE 69 HE1 PHE 69 2.276 2.017 -0.406 591 HE2 PHE 69 HE2 PHE 69 4.322 5.420 -1.944 592 HZ PHE 69 HZ PHE 69 4.210 3.538 -0.356 593 H GLY 70 HN GLY 70 -1.032 3.412 -6.508 594 1HA GLY 70 HA2 GLY 70 -3.322 5.128 -6.555 595 2HA GLY 70 HA1 GLY 70 -2.556 4.387 -7.948 596 H ILE 71 HN ILE 71 -2.839 1.696 -7.292 597 HA ILE 71 HA ILE 71 -5.384 1.119 -8.237 598 HB ILE 71 HB ILE 71 -3.652 -0.681 -6.536 599 1HG1 ILE 71 HG12 ILE 71 -3.744 -0.717 -9.534 600 2HG1 ILE 71 HG11 ILE 71 -2.706 0.439 -8.706 601 1HG2 ILE 71 HG21 ILE 71 -5.674 -1.462 -8.624 602 2HG2 ILE 71 HG22 ILE 71 -6.050 -1.356 -6.904 603 3HG2 ILE 71 HG23 ILE 71 -4.841 -2.507 -7.472 604 1HD1 ILE 71 HD11 ILE 71 -2.601 -2.526 -8.239 605 2HD1 ILE 71 HD12 ILE 71 -1.456 -1.301 -7.685 606 3HD1 ILE 71 HD13 ILE 71 -1.589 -1.673 -9.403 607 H VAL 72 HN VAL 72 -4.198 1.411 -4.940 608 HA VAL 72 HA VAL 72 -6.594 0.465 -3.687 609 HB VAL 72 HB VAL 72 -4.389 2.193 -2.560 610 1HG1 VAL 72 HG11 VAL 72 -5.225 1.621 -0.376 611 2HG1 VAL 72 HG12 VAL 72 -6.483 0.611 -1.073 612 3HG1 VAL 72 HG13 VAL 72 -6.523 2.355 -1.313 613 1HG2 VAL 72 HG21 VAL 72 -3.791 -0.123 -3.408 614 2HG2 VAL 72 HG22 VAL 72 -4.792 -0.743 -2.101 615 3HG2 VAL 72 HG23 VAL 72 -3.382 0.242 -1.734 616 H ILE 73 HN ILE 73 -5.206 3.649 -4.324 617 HA ILE 73 HA ILE 73 -7.091 5.269 -3.126 618 HB ILE 73 HB ILE 73 -5.347 5.648 -5.546 619 1HG1 ILE 73 HG12 ILE 73 -5.397 7.093 -2.894 620 2HG1 ILE 73 HG11 ILE 73 -4.424 5.660 -3.204 621 1HG2 ILE 73 HG21 ILE 73 -6.075 8.147 -5.216 622 2HG2 ILE 73 HG22 ILE 73 -7.547 7.405 -4.589 623 3HG2 ILE 73 HG23 ILE 73 -7.020 7.059 -6.234 624 1HD1 ILE 73 HD11 ILE 73 -4.160 8.030 -4.990 625 2HD1 ILE 73 HD12 ILE 73 -2.981 6.780 -4.591 626 3HD1 ILE 73 HD13 ILE 73 -3.379 8.025 -3.409 627 H ASP 74 HN ASP 74 -7.056 4.218 -6.525 628 HA ASP 74 HA ASP 74 -9.397 5.371 -7.381 629 1HB ASP 74 HB2 ASP 74 -7.724 4.097 -8.780 630 2HB ASP 74 HB1 ASP 74 -8.468 2.609 -8.204 631 H TYR 75 HN TYR 75 -9.117 2.018 -6.073 632 HA TYR 75 HA TYR 75 -11.892 1.549 -6.094 633 1HB TYR 75 HB2 TYR 75 -9.551 0.267 -4.774 634 2HB TYR 75 HB1 TYR 75 -11.143 -0.100 -4.117 635 HD1 TYR 75 HD1 TYR 75 -11.174 0.633 -7.623 636 HD2 TYR 75 HD2 TYR 75 -10.518 -2.486 -4.815 637 HE1 TYR 75 HE1 TYR 75 -11.533 -1.021 -9.396 638 HE2 TYR 75 HE2 TYR 75 -10.863 -4.158 -6.585 639 HH TYR 75 HH TYR 75 -11.987 -4.321 -8.769 640 H LYS 76 HN LYS 76 -9.798 3.134 -3.817 641 HA LYS 76 HA LYS 76 -11.660 3.337 -1.679 642 1HB LYS 76 HB2 LYS 76 -9.433 3.722 -1.050 643 2HB LYS 76 HB1 LYS 76 -9.108 4.710 -2.457 644 1HG LYS 76 HG2 LYS 76 -11.083 6.031 -0.889 645 2HG LYS 76 HG1 LYS 76 -9.749 5.540 0.160 646 1HD LYS 76 HD2 LYS 76 -8.608 6.517 -2.231 647 2HD LYS 76 HD1 LYS 76 -9.841 7.678 -1.734 648 1HE LYS 76 HE2 LYS 76 -7.654 6.612 0.053 649 2HE LYS 76 HE1 LYS 76 -7.586 8.149 -0.809 650 1HZ LYS 76 HZ1 LYS 76 -9.611 8.821 0.395 651 2HZ LYS 76 HZ2 LYS 76 -8.302 8.532 1.426 652 3HZ LYS 76 HZ3 LYS 76 -9.539 7.387 1.292 653 H GLU 77 HN GLU 77 -10.902 5.171 -4.527 654 HA GLU 77 HA GLU 77 -12.566 7.420 -3.972 655 1HB GLU 77 HB2 GLU 77 -11.085 6.432 -6.400 656 2HB GLU 77 HB1 GLU 77 -12.057 7.886 -6.430 657 1HG GLU 77 HG2 GLU 77 -10.609 8.594 -4.399 658 2HG GLU 77 HG1 GLU 77 -9.510 7.347 -4.980 659 H ARG 78 HN ARG 78 -12.985 4.307 -5.405 660 HA ARG 78 HA ARG 78 -15.479 5.064 -6.724 661 1HB ARG 78 HB2 ARG 78 -13.824 2.547 -6.739 662 2HB ARG 78 HB1 ARG 78 -15.409 2.647 -7.488 663 1HG ARG 78 HG2 ARG 78 -14.631 4.343 -9.013 664 2HG ARG 78 HG1 ARG 78 -13.065 4.396 -8.201 665 1HD ARG 78 HD2 ARG 78 -12.947 3.085 -10.257 666 2HD ARG 78 HD1 ARG 78 -12.648 2.077 -8.841 667 HE ARG 78 HE ARG 78 -15.357 1.893 -9.401 668 1HH1 ARG 78 HH11 ARG 78 -12.341 1.112 -10.965 669 2HH1 ARG 78 HH12 ARG 78 -13.001 -0.217 -11.858 670 1HH2 ARG 78 HH21 ARG 78 -16.232 0.142 -10.572 671 2HH2 ARG 78 HH22 ARG 78 -15.210 -0.769 -11.633 672 H ASP 79 HN ASP 79 -14.867 4.587 -3.690 673 HA ASP 79 HA ASP 79 -16.012 3.832 -1.872 674 1HB ASP 79 HB2 ASP 79 -17.884 5.006 -3.027 675 2HB ASP 79 HB1 ASP 79 -18.302 3.495 -3.824 676 H LEU 80 HN LEU 80 -14.610 1.966 -3.749 677 HA LEU 80 HA LEU 80 -16.079 -0.511 -3.514 678 1HB LEU 80 HB2 LEU 80 -13.755 0.429 -4.982 679 2HB LEU 80 HB1 LEU 80 -13.488 -1.151 -4.276 680 HG LEU 80 HG LEU 80 -15.892 -1.601 -5.358 681 1HD1 LEU 80 HD11 LEU 80 -16.149 -0.488 -7.460 682 2HD1 LEU 80 HD12 LEU 80 -14.625 0.372 -7.237 683 3HD1 LEU 80 HD13 LEU 80 -16.006 0.740 -6.201 684 1HD2 LEU 80 HD21 LEU 80 -13.810 -2.858 -5.745 685 2HD2 LEU 80 HD22 LEU 80 -13.321 -1.630 -6.913 686 3HD2 LEU 80 HD23 LEU 80 -14.745 -2.622 -7.223 687 H ILE 81 HN ILE 81 -13.787 1.276 -1.718 688 HA ILE 81 HA ILE 81 -13.050 -1.043 -0.080 689 HB ILE 81 HB ILE 81 -11.972 1.781 -0.068 690 1HG1 ILE 81 HG12 ILE 81 -10.723 -0.824 -0.976 691 2HG1 ILE 81 HG11 ILE 81 -11.334 0.436 -2.041 692 1HG2 ILE 81 HG21 ILE 81 -10.970 -0.615 1.475 693 2HG2 ILE 81 HG22 ILE 81 -11.947 0.677 2.175 694 3HG2 ILE 81 HG23 ILE 81 -10.337 1.030 1.538 695 1HD1 ILE 81 HD11 ILE 81 -9.057 0.748 -0.100 696 2HD1 ILE 81 HD12 ILE 81 -9.645 1.970 -1.226 697 3HD1 ILE 81 HD13 ILE 81 -8.903 0.492 -1.837 698 H ASP 82 HN ASP 82 -13.802 -1.321 1.933 699 HA ASP 82 HA ASP 82 -16.082 0.020 2.830 700 1HB ASP 82 HB2 ASP 82 -15.033 -2.294 3.499 701 2HB ASP 82 HB1 ASP 82 -14.236 -1.341 4.753 702 H ARG 83 HN ARG 83 -16.395 1.802 4.041 703 HA ARG 83 HA ARG 83 -14.307 3.625 4.432 704 1HB ARG 83 HB2 ARG 83 -17.082 3.543 5.606 705 2HB ARG 83 HB1 ARG 83 -15.965 4.876 5.862 706 1HG ARG 83 HG2 ARG 83 -17.324 4.015 3.344 707 2HG ARG 83 HG1 ARG 83 -17.303 5.606 4.106 708 1HD ARG 83 HD2 ARG 83 -14.774 5.561 3.610 709 2HD ARG 83 HD1 ARG 83 -15.157 4.243 2.509 710 HE ARG 83 HE ARG 83 -15.356 6.911 1.886 711 1HH1 ARG 83 HH11 ARG 83 -17.486 4.139 1.794 712 2HH1 ARG 83 HH12 ARG 83 -18.439 4.766 0.494 713 1HH2 ARG 83 HH21 ARG 83 -16.609 7.719 0.171 714 2HH2 ARG 83 HH22 ARG 83 -17.942 6.789 -0.429 715 H SER 84 HN SER 84 -15.136 0.879 6.166 716 HA SER 84 HA SER 84 -14.448 1.673 8.794 717 1HB SER 84 HB2 SER 84 -15.680 -0.442 8.154 718 2HB SER 84 HB1 SER 84 -14.132 -1.099 7.622 719 HG SER 84 HG SER 84 -14.712 -1.647 9.808 720 H ALA 85 HN ALA 85 -12.590 0.511 6.038 721 HA ALA 85 HA ALA 85 -10.142 0.016 7.312 722 1HB ALA 85 HB1 ALA 85 -9.152 0.570 5.036 723 2HB ALA 85 HB2 ALA 85 -10.804 0.885 4.506 724 3HB ALA 85 HB3 ALA 85 -10.351 -0.716 5.077 725 H TYR 86 HN TYR 86 -11.550 2.925 5.961 726 HA TYR 86 HA TYR 86 -9.499 4.730 6.037 727 1HB TYR 86 HB2 TYR 86 -12.390 5.117 6.806 728 2HB TYR 86 HB1 TYR 86 -11.256 6.451 6.703 729 HD1 TYR 86 HD1 TYR 86 -12.012 3.497 4.560 730 HD2 TYR 86 HD2 TYR 86 -11.574 7.713 4.807 731 HE1 TYR 86 HE1 TYR 86 -12.473 3.671 2.154 732 HE2 TYR 86 HE2 TYR 86 -12.034 7.910 2.399 733 HH TYR 86 HH TYR 86 -11.972 6.575 0.396 Start of MODEL 16 1 1H SER 1 HT1 SER 1 8.547 -13.277 -2.690 2 2H SER 1 HT2 SER 1 7.008 -12.574 -2.691 3 3H SER 1 HT3 SER 1 8.156 -12.095 -3.837 4 HA SER 1 HA SER 1 8.130 -14.257 -4.853 5 1HB SER 1 HB2 SER 1 7.636 -15.560 -2.828 6 2HB SER 1 HB1 SER 1 6.009 -14.882 -2.781 7 HG SER 1 HG SER 1 5.470 -16.442 -4.062 8 H ASN 2 HN ASN 2 7.498 -12.575 -6.329 9 HA ASN 2 HA ASN 2 6.099 -11.553 -7.802 10 1HB ASN 2 HB2 ASN 2 5.575 -13.851 -8.421 11 2HB ASN 2 HB1 ASN 2 4.373 -13.948 -7.139 12 1HD2 ASN 2 HD21 ASN 2 2.718 -14.418 -8.558 13 2HD2 ASN 2 HD22 ASN 2 2.050 -13.239 -9.631 14 H SER 3 HN SER 3 5.766 -9.721 -6.486 15 HA SER 3 HA SER 3 3.883 -9.436 -4.464 16 1HB SER 3 HB2 SER 3 5.440 -7.674 -4.730 17 2HB SER 3 HB1 SER 3 5.037 -7.466 -6.435 18 HG SER 3 HG SER 3 4.130 -5.951 -4.727 19 H SER 4 HN SER 4 3.466 -8.225 -7.794 20 HA SER 4 HA SER 4 1.608 -7.879 -9.059 21 1HB SER 4 HB2 SER 4 1.621 -10.326 -9.127 22 2HB SER 4 HB1 SER 4 0.683 -10.382 -7.637 23 HG SER 4 HG SER 4 -0.113 -9.711 -10.223 24 H MET 5 HN MET 5 0.871 -5.955 -8.225 25 HA MET 5 HA MET 5 -0.450 -5.469 -5.861 26 1HB MET 5 HB2 MET 5 -0.603 -4.185 -8.565 27 2HB MET 5 HB1 MET 5 -1.642 -3.628 -7.260 28 1HG MET 5 HG2 MET 5 0.390 -2.298 -7.446 29 2HG MET 5 HG1 MET 5 0.280 -3.128 -5.895 30 1HE MET 5 HE1 MET 5 4.003 -3.300 -6.086 31 2HE MET 5 HE2 MET 5 2.561 -2.479 -5.485 32 3HE MET 5 HE3 MET 5 3.286 -1.984 -7.014 33 H ASN 6 HN ASN 6 -1.982 -6.920 -5.200 34 HA ASN 6 HA ASN 6 -4.088 -7.824 -6.946 35 1HB ASN 6 HB2 ASN 6 -3.807 -8.159 -3.950 36 2HB ASN 6 HB1 ASN 6 -4.883 -9.066 -5.007 37 1HD2 ASN 6 HD21 ASN 6 -4.001 -10.590 -6.440 38 2HD2 ASN 6 HD22 ASN 6 -2.423 -11.249 -6.192 39 HA PRO 7 HA PRO 7 -6.416 -4.024 -6.022 40 1HB PRO 7 HB2 PRO 7 -8.428 -5.345 -7.742 41 2HB PRO 7 HB1 PRO 7 -7.704 -3.742 -7.888 42 1HG PRO 7 HG2 PRO 7 -7.037 -5.710 -9.565 43 2HG PRO 7 HG1 PRO 7 -5.833 -4.538 -8.994 44 1HD PRO 7 HD2 PRO 7 -6.314 -7.353 -8.096 45 2HD PRO 7 HD1 PRO 7 -4.780 -6.508 -8.368 46 H LYS 8 HN LYS 8 -7.282 -7.331 -5.542 47 HA LYS 8 HA LYS 8 -9.756 -6.760 -4.185 48 1HB LYS 8 HB2 LYS 8 -8.145 -9.318 -4.209 49 2HB LYS 8 HB1 LYS 8 -9.814 -9.145 -3.685 50 1HG LYS 8 HG2 LYS 8 -10.097 -9.988 -5.792 51 2HG LYS 8 HG1 LYS 8 -10.178 -8.254 -6.113 52 1HD LYS 8 HD2 LYS 8 -7.487 -8.776 -6.291 53 2HD LYS 8 HD1 LYS 8 -8.209 -10.234 -6.974 54 1HE LYS 8 HE2 LYS 8 -8.597 -7.383 -7.860 55 2HE LYS 8 HE1 LYS 8 -7.868 -8.708 -8.766 56 1HZ LYS 8 HZ1 LYS 8 -10.008 -9.796 -8.866 57 2HZ LYS 8 HZ2 LYS 8 -10.135 -8.230 -9.493 58 3HZ LYS 8 HZ3 LYS 8 -10.719 -8.570 -7.943 59 H SER 9 HN SER 9 -6.546 -7.902 -3.186 60 HA SER 9 HA SER 9 -7.180 -7.718 -0.400 61 1HB SER 9 HB2 SER 9 -5.521 -9.334 -1.416 62 2HB SER 9 HB1 SER 9 -4.437 -7.961 -1.646 63 HG SER 9 HG SER 9 -4.625 -9.421 0.481 64 H LEU 10 HN LEU 10 -5.247 -5.799 -2.648 65 HA LEU 10 HA LEU 10 -4.237 -3.954 -0.811 66 1HB LEU 10 HB2 LEU 10 -4.951 -3.507 -3.708 67 2HB LEU 10 HB1 LEU 10 -3.942 -2.455 -2.738 68 HG LEU 10 HG LEU 10 -3.285 -5.288 -3.541 69 1HD1 LEU 10 HD11 LEU 10 -2.183 -2.621 -4.398 70 2HD1 LEU 10 HD12 LEU 10 -3.073 -3.775 -5.393 71 3HD1 LEU 10 HD13 LEU 10 -1.462 -4.181 -4.798 72 1HD2 LEU 10 HD21 LEU 10 -2.357 -3.750 -1.348 73 2HD2 LEU 10 HD22 LEU 10 -1.056 -3.864 -2.532 74 3HD2 LEU 10 HD23 LEU 10 -1.802 -5.331 -1.896 75 H THR 11 HN THR 11 -7.440 -4.458 -1.758 76 HA THR 11 HA THR 11 -8.118 -1.744 -0.804 77 HB THR 11 HB THR 11 -9.883 -1.543 -2.363 78 HG1 THR 11 HG1 THR 11 -9.484 -4.314 -2.748 79 1HG2 THR 11 HG21 THR 11 -7.579 -1.192 -3.263 80 2HG2 THR 11 HG22 THR 11 -8.747 -1.653 -4.488 81 3HG2 THR 11 HG23 THR 11 -7.612 -2.846 -3.868 82 H ASP 12 HN ASP 12 -7.898 -4.388 0.545 83 HA ASP 12 HA ASP 12 -10.663 -4.645 1.514 84 1HB ASP 12 HB2 ASP 12 -9.473 -6.703 0.551 85 2HB ASP 12 HB1 ASP 12 -8.432 -6.628 1.969 86 HA PRO 13 HA PRO 13 -9.121 -2.147 4.903 87 1HB PRO 13 HB2 PRO 13 -11.391 -3.624 6.202 88 2HB PRO 13 HB1 PRO 13 -10.933 -1.920 6.351 89 1HG PRO 13 HG2 PRO 13 -12.921 -2.597 4.754 90 2HG PRO 13 HG1 PRO 13 -11.731 -1.382 4.229 91 1HD PRO 13 HD2 PRO 13 -12.039 -4.237 3.392 92 2HD PRO 13 HD1 PRO 13 -11.499 -2.835 2.450 93 H LYS 14 HN LYS 14 -9.470 -5.613 4.894 94 HA LYS 14 HA LYS 14 -8.498 -6.169 7.481 95 1HB LYS 14 HB2 LYS 14 -9.456 -7.717 5.507 96 2HB LYS 14 HB1 LYS 14 -7.737 -7.991 5.257 97 1HG LYS 14 HG2 LYS 14 -9.265 -8.476 7.808 98 2HG LYS 14 HG1 LYS 14 -8.685 -9.704 6.683 99 1HD LYS 14 HD2 LYS 14 -6.931 -7.783 8.214 100 2HD LYS 14 HD1 LYS 14 -7.234 -9.462 8.667 101 1HE LYS 14 HE2 LYS 14 -6.287 -10.174 6.497 102 2HE LYS 14 HE1 LYS 14 -5.910 -8.488 6.141 103 1HZ LYS 14 HZ1 LYS 14 -4.036 -9.820 7.060 104 2HZ LYS 14 HZ2 LYS 14 -4.875 -9.919 8.522 105 3HZ LYS 14 HZ3 LYS 14 -4.382 -8.412 7.931 106 H LEU 15 HN LEU 15 -6.805 -6.042 4.358 107 HA LEU 15 HA LEU 15 -4.200 -6.187 5.522 108 1HB LEU 15 HB2 LEU 15 -5.151 -5.406 2.773 109 2HB LEU 15 HB1 LEU 15 -3.471 -5.512 3.210 110 HG LEU 15 HG LEU 15 -4.083 -7.494 2.022 111 1HD1 LEU 15 HD11 LEU 15 -4.008 -8.993 4.380 112 2HD1 LEU 15 HD12 LEU 15 -3.167 -7.480 4.735 113 3HD1 LEU 15 HD13 LEU 15 -2.642 -8.487 3.382 114 1HD2 LEU 15 HD21 LEU 15 -5.824 -8.998 2.751 115 2HD2 LEU 15 HD22 LEU 15 -6.503 -7.392 2.480 116 3HD2 LEU 15 HD23 LEU 15 -6.195 -7.955 4.123 117 H LEU 16 HN LEU 16 -6.240 -3.654 4.215 118 HA LEU 16 HA LEU 16 -4.466 -1.545 4.196 119 1HB LEU 16 HB2 LEU 16 -7.392 -1.382 4.913 120 2HB LEU 16 HB1 LEU 16 -6.410 -0.131 4.180 121 HG LEU 16 HG LEU 16 -6.998 -2.763 2.849 122 1HD1 LEU 16 HD11 LEU 16 -8.827 -1.897 1.810 123 2HD1 LEU 16 HD12 LEU 16 -8.261 -0.238 1.949 124 3HD1 LEU 16 HD13 LEU 16 -8.948 -1.050 3.352 125 1HD2 LEU 16 HD21 LEU 16 -5.132 -0.719 2.329 126 2HD2 LEU 16 HD22 LEU 16 -6.385 -0.596 1.098 127 3HD2 LEU 16 HD23 LEU 16 -5.525 -2.117 1.328 128 H LYS 17 HN LYS 17 -6.468 -2.714 6.887 129 HA LYS 17 HA LYS 17 -5.463 -0.715 8.697 130 1HB LYS 17 HB2 LYS 17 -7.013 -3.259 9.237 131 2HB LYS 17 HB1 LYS 17 -6.684 -2.002 10.420 132 1HG LYS 17 HG2 LYS 17 -8.048 -0.447 9.260 133 2HG LYS 17 HG1 LYS 17 -8.202 -1.525 7.873 134 1HD LYS 17 HD2 LYS 17 -9.436 -3.124 9.225 135 2HD LYS 17 HD1 LYS 17 -9.236 -2.098 10.648 136 1HE LYS 17 HE2 LYS 17 -10.514 -0.336 9.574 137 2HE LYS 17 HE1 LYS 17 -10.687 -1.320 8.122 138 1HZ LYS 17 HZ1 LYS 17 -11.943 -2.933 9.396 139 2HZ LYS 17 HZ2 LYS 17 -12.664 -1.407 9.525 140 3HZ LYS 17 HZ3 LYS 17 -11.749 -2.021 10.808 141 H ASN 18 HN ASN 18 -4.534 -3.792 7.569 142 HA ASN 18 HA ASN 18 -2.462 -4.050 9.649 143 1HB ASN 18 HB2 ASN 18 -4.285 -5.949 8.780 144 2HB ASN 18 HB1 ASN 18 -2.864 -6.322 7.824 145 1HD2 ASN 18 HD21 ASN 18 -2.706 -8.300 8.916 146 2HD2 ASN 18 HD22 ASN 18 -2.048 -8.391 10.509 147 H ILE 19 HN ILE 19 -1.714 -2.177 8.066 148 HA ILE 19 HA ILE 19 -0.862 -2.372 5.546 149 HB ILE 19 HB ILE 19 0.572 -1.151 7.883 150 1HG1 ILE 19 HG12 ILE 19 -1.511 -0.084 7.134 151 2HG1 ILE 19 HG11 ILE 19 -0.126 0.943 6.816 152 1HG2 ILE 19 HG21 ILE 19 1.439 -0.479 5.115 153 2HG2 ILE 19 HG22 ILE 19 2.093 -1.928 5.867 154 3HG2 ILE 19 HG23 ILE 19 2.320 -0.361 6.635 155 1HD1 ILE 19 HD11 ILE 19 -1.382 1.143 4.890 156 2HD1 ILE 19 HD12 ILE 19 -1.819 -0.564 4.862 157 3HD1 ILE 19 HD13 ILE 19 -0.178 -0.064 4.449 158 HA PRO 20 HA PRO 20 3.299 -4.778 6.903 159 1HB PRO 20 HB2 PRO 20 1.753 -6.399 8.905 160 2HB PRO 20 HB1 PRO 20 3.481 -6.013 8.878 161 1HG PRO 20 HG2 PRO 20 1.869 -4.692 10.502 162 2HG PRO 20 HG1 PRO 20 3.134 -3.826 9.614 163 1HD PRO 20 HD2 PRO 20 0.192 -3.888 9.147 164 2HD PRO 20 HD1 PRO 20 1.353 -2.573 8.875 165 H MET 21 HN MET 21 0.145 -6.269 7.438 166 HA MET 21 HA MET 21 0.578 -8.603 5.901 167 1HB MET 21 HB2 MET 21 -1.238 -7.846 7.713 168 2HB MET 21 HB1 MET 21 -2.159 -7.479 6.262 169 1HG MET 21 HG2 MET 21 -2.813 -9.579 6.303 170 2HG MET 21 HG1 MET 21 -1.186 -10.009 5.774 171 1HE MET 21 HE1 MET 21 0.513 -10.421 9.337 172 2HE MET 21 HE2 MET 21 0.606 -9.380 7.915 173 3HE MET 21 HE3 MET 21 0.737 -11.129 7.739 174 H TRP 22 HN TRP 22 -0.932 -5.470 5.216 175 HA TRP 22 HA TRP 22 -1.873 -5.886 2.663 176 1HB TRP 22 HB2 TRP 22 -2.213 -3.842 4.014 177 2HB TRP 22 HB1 TRP 22 -0.540 -3.390 3.756 178 HD1 TRP 22 HD1 TRP 22 -3.842 -3.776 1.807 179 HE1 TRP 22 HE1 TRP 22 -3.716 -2.277 -0.279 180 HE3 TRP 22 HE3 TRP 22 1.011 -2.207 2.239 181 HZ2 TRP 22 HZ2 TRP 22 -1.809 -0.666 -1.587 182 HZ3 TRP 22 HZ3 TRP 22 1.907 -0.688 0.508 183 HH2 TRP 22 HH2 TRP 22 0.524 0.068 -1.354 184 H LEU 23 HN LEU 23 1.362 -5.236 3.805 185 HA LEU 23 HA LEU 23 2.563 -5.007 1.224 186 1HB LEU 23 HB2 LEU 23 3.642 -5.385 4.011 187 2HB LEU 23 HB1 LEU 23 4.675 -5.294 2.604 188 HG LEU 23 HG LEU 23 2.766 -3.113 3.435 189 1HD1 LEU 23 HD11 LEU 23 5.085 -1.994 3.926 190 2HD1 LEU 23 HD12 LEU 23 5.603 -3.665 4.166 191 3HD1 LEU 23 HD13 LEU 23 4.291 -2.996 5.137 192 1HD2 LEU 23 HD21 LEU 23 3.901 -1.756 1.827 193 2HD2 LEU 23 HD22 LEU 23 3.388 -3.242 1.025 194 3HD2 LEU 23 HD23 LEU 23 5.072 -3.033 1.501 195 H LYS 24 HN LYS 24 1.791 -7.607 3.416 196 HA LYS 24 HA LYS 24 3.531 -9.590 2.653 197 1HB LYS 24 HB2 LYS 24 1.235 -9.404 4.188 198 2HB LYS 24 HB1 LYS 24 0.841 -10.594 2.951 199 1HG LYS 24 HG2 LYS 24 2.041 -12.119 3.999 200 2HG LYS 24 HG1 LYS 24 3.464 -11.074 3.916 201 1HD LYS 24 HD2 LYS 24 1.372 -10.518 5.934 202 2HD LYS 24 HD1 LYS 24 2.502 -11.837 6.220 203 1HE LYS 24 HE2 LYS 24 3.441 -9.099 5.460 204 2HE LYS 24 HE1 LYS 24 3.080 -9.509 7.138 205 1HZ LYS 24 HZ1 LYS 24 5.412 -9.830 6.682 206 2HZ LYS 24 HZ2 LYS 24 5.062 -10.868 5.393 207 3HZ LYS 24 HZ3 LYS 24 4.686 -11.330 6.977 208 H SER 25 HN SER 25 0.409 -8.690 1.245 209 HA SER 25 HA SER 25 0.478 -10.603 -0.851 210 1HB SER 25 HB2 SER 25 -1.155 -8.091 -0.420 211 2HB SER 25 HB1 SER 25 -1.342 -9.112 -1.849 212 HG SER 25 HG SER 25 -1.869 -9.720 0.853 213 H LEU 26 HN LEU 26 2.257 -7.841 -0.332 214 HA LEU 26 HA LEU 26 2.826 -7.508 -3.201 215 1HB LEU 26 HB2 LEU 26 3.358 -5.479 -1.036 216 2HB LEU 26 HB1 LEU 26 3.460 -5.241 -2.770 217 HG LEU 26 HG LEU 26 0.898 -5.796 -1.282 218 1HD1 LEU 26 HD11 LEU 26 0.406 -3.415 -1.656 219 2HD1 LEU 26 HD12 LEU 26 2.039 -3.186 -2.281 220 3HD1 LEU 26 HD13 LEU 26 1.795 -3.652 -0.598 221 1HD2 LEU 26 HD21 LEU 26 0.262 -4.585 -3.638 222 2HD2 LEU 26 HD22 LEU 26 0.226 -6.326 -3.352 223 3HD2 LEU 26 HD23 LEU 26 1.639 -5.584 -4.107 224 H ARG 27 HN ARG 27 3.861 -9.127 -0.747 225 HA ARG 27 HA ARG 27 5.759 -9.966 0.107 226 1HB ARG 27 HB2 ARG 27 7.319 -10.671 -1.429 227 2HB ARG 27 HB1 ARG 27 5.918 -10.374 -2.453 228 1HG ARG 27 HG2 ARG 27 7.045 -7.968 -2.530 229 2HG ARG 27 HG1 ARG 27 8.481 -8.955 -2.294 230 1HD ARG 27 HD2 ARG 27 7.881 -10.307 -4.227 231 2HD ARG 27 HD1 ARG 27 6.411 -9.356 -4.422 232 HE ARG 27 HE ARG 27 8.445 -7.531 -4.522 233 1HH1 ARG 27 HH11 ARG 27 7.602 -10.409 -6.294 234 2HH1 ARG 27 HH12 ARG 27 8.326 -9.868 -7.771 235 1HH2 ARG 27 HH21 ARG 27 9.401 -6.809 -6.463 236 2HH2 ARG 27 HH22 ARG 27 9.349 -7.822 -7.868 237 H LEU 28 HN LEU 28 5.390 -6.786 -0.176 238 HA LEU 28 HA LEU 28 8.138 -5.993 0.396 239 1HB LEU 28 HB2 LEU 28 5.574 -4.392 0.228 240 2HB LEU 28 HB1 LEU 28 7.152 -3.694 0.536 241 HG LEU 28 HG LEU 28 6.838 -5.361 -1.909 242 1HD1 LEU 28 HD11 LEU 28 6.157 -3.024 -2.963 243 2HD1 LEU 28 HD12 LEU 28 5.378 -2.842 -1.389 244 3HD1 LEU 28 HD13 LEU 28 4.963 -4.206 -2.426 245 1HD2 LEU 28 HD21 LEU 28 8.948 -4.169 -1.051 246 2HD2 LEU 28 HD22 LEU 28 8.187 -2.693 -1.646 247 3HD2 LEU 28 HD23 LEU 28 8.531 -4.021 -2.755 248 H HIS 29 HN HIS 29 6.305 -7.691 2.204 249 HA HIS 29 HA HIS 29 5.765 -6.203 4.533 250 1HB HIS 29 HB2 HIS 29 5.931 -8.384 5.727 251 2HB HIS 29 HB1 HIS 29 4.892 -8.461 4.306 252 HD1 HIS 29 HD1 HIS 29 5.913 -9.693 2.185 253 HD2 HIS 29 HD2 HIS 29 8.070 -10.113 5.711 254 HE1 HIS 29 HE1 HIS 29 7.478 -11.622 1.789 255 HE2 HIS 29 HE2 HIS 29 8.822 -11.812 3.912 256 H LYS 30 HN LYS 30 8.533 -7.094 2.944 257 HA LYS 30 HA LYS 30 10.522 -7.320 4.863 258 1HB LYS 30 HB2 LYS 30 11.887 -6.146 2.945 259 2HB LYS 30 HB1 LYS 30 11.228 -7.747 2.683 260 1HG LYS 30 HG2 LYS 30 9.401 -6.823 1.427 261 2HG LYS 30 HG1 LYS 30 9.926 -5.184 1.808 262 1HD LYS 30 HD2 LYS 30 11.608 -5.232 0.302 263 2HD LYS 30 HD1 LYS 30 11.920 -6.953 0.525 264 1HE LYS 30 HE2 LYS 30 9.621 -7.236 -0.644 265 2HE LYS 30 HE1 LYS 30 9.895 -5.590 -1.201 266 1HZ LYS 30 HZ1 LYS 30 11.978 -6.304 -2.191 267 2HZ LYS 30 HZ2 LYS 30 10.688 -7.204 -2.810 268 3HZ LYS 30 HZ3 LYS 30 11.718 -7.888 -1.656 269 H TYR 31 HN TYR 31 8.802 -4.631 3.567 270 HA TYR 31 HA TYR 31 10.258 -2.722 5.250 271 1HB TYR 31 HB2 TYR 31 8.556 -2.319 2.787 272 2HB TYR 31 HB1 TYR 31 9.285 -1.015 3.724 273 HD1 TYR 31 HD1 TYR 31 9.615 -2.699 0.823 274 HD2 TYR 31 HD2 TYR 31 11.963 -1.693 4.220 275 HE1 TYR 31 HE1 TYR 31 11.666 -2.970 -0.517 276 HE2 TYR 31 HE2 TYR 31 14.017 -1.947 2.893 277 HH TYR 31 HH TYR 31 13.983 -2.234 -0.509 278 H SER 32 HN SER 32 8.148 -4.582 6.100 279 HA SER 32 HA SER 32 5.692 -3.244 6.392 280 1HB SER 32 HB2 SER 32 5.536 -5.534 6.786 281 2HB SER 32 HB1 SER 32 6.997 -5.564 7.774 282 HG SER 32 HG SER 32 5.186 -5.756 9.094 283 H ASP 33 HN ASP 33 8.420 -3.634 8.621 284 HA ASP 33 HA ASP 33 7.409 -2.155 10.747 285 1HB ASP 33 HB2 ASP 33 9.538 -3.547 10.662 286 2HB ASP 33 HB1 ASP 33 10.312 -2.149 9.931 287 H ALA 34 HN ALA 34 9.158 -1.093 7.889 288 HA ALA 34 HA ALA 34 9.351 1.645 8.680 289 1HB ALA 34 HB1 ALA 34 10.331 2.036 6.576 290 2HB ALA 34 HB2 ALA 34 9.597 0.595 5.879 291 3HB ALA 34 HB3 ALA 34 10.880 0.440 7.082 292 H LEU 35 HN LEU 35 7.011 -0.206 6.868 293 HA LEU 35 HA LEU 35 5.612 2.253 6.102 294 1HB LEU 35 HB2 LEU 35 5.644 -0.550 5.101 295 2HB LEU 35 HB1 LEU 35 4.194 0.399 4.855 296 HG LEU 35 HG LEU 35 5.105 1.610 3.202 297 1HD1 LEU 35 HD11 LEU 35 7.464 2.384 3.121 298 2HD1 LEU 35 HD12 LEU 35 7.737 1.611 4.679 299 3HD1 LEU 35 HD13 LEU 35 6.575 2.928 4.542 300 1HD2 LEU 35 HD21 LEU 35 5.545 -0.485 2.286 301 2HD2 LEU 35 HD22 LEU 35 6.909 -0.799 3.367 302 3HD2 LEU 35 HD23 LEU 35 7.058 0.391 2.066 303 H SER 36 HN SER 36 5.509 -0.034 8.549 304 HA SER 36 HA SER 36 2.711 -0.418 8.800 305 1HB SER 36 HB2 SER 36 4.268 -1.952 9.879 306 2HB SER 36 HB1 SER 36 4.897 -0.647 10.883 307 HG SER 36 HG SER 36 2.986 -0.565 11.976 308 H GLY 37 HN GLY 37 4.988 1.831 10.346 309 1HA GLY 37 HA2 GLY 37 3.223 3.073 12.107 310 2HA GLY 37 HA1 GLY 37 4.635 3.841 11.398 311 H THR 38 HN THR 38 3.140 3.053 8.741 312 HA THR 38 HA THR 38 1.483 5.480 8.681 313 HB THR 38 HB THR 38 2.908 4.204 6.341 314 HG1 THR 38 HG1 THR 38 4.225 6.208 6.631 315 1HG2 THR 38 HG21 THR 38 0.782 5.782 6.175 316 2HG2 THR 38 HG22 THR 38 2.133 5.927 5.048 317 3HG2 THR 38 HG23 THR 38 2.000 7.037 6.412 318 HA PRO 39 HA PRO 39 -1.913 2.625 7.880 319 1HB PRO 39 HB2 PRO 39 -3.758 4.487 7.194 320 2HB PRO 39 HB1 PRO 39 -3.272 4.211 8.870 321 1HG PRO 39 HG2 PRO 39 -2.240 6.250 6.933 322 2HG PRO 39 HG1 PRO 39 -2.828 6.511 8.584 323 1HD PRO 39 HD2 PRO 39 -0.222 6.352 8.129 324 2HD PRO 39 HD1 PRO 39 -0.920 5.510 9.532 325 H TRP 40 HN TRP 40 -3.643 2.506 5.992 326 HA TRP 40 HA TRP 40 -2.147 2.363 3.568 327 1HB TRP 40 HB2 TRP 40 -4.124 1.497 2.526 328 2HB TRP 40 HB1 TRP 40 -3.992 0.776 4.116 329 HD1 TRP 40 HD1 TRP 40 -5.765 1.733 6.014 330 HE1 TRP 40 HE1 TRP 40 -8.152 2.650 5.700 331 HE3 TRP 40 HE3 TRP 40 -5.601 2.793 1.011 332 HZ2 TRP 40 HZ2 TRP 40 -9.746 3.698 3.629 333 HZ3 TRP 40 HZ3 TRP 40 -7.596 3.753 -0.054 334 HH2 TRP 40 HH2 TRP 40 -9.623 4.196 1.226 335 H ILE 41 HN ILE 41 -4.872 4.379 4.652 336 HA ILE 41 HA ILE 41 -5.272 5.864 2.377 337 HB ILE 41 HB ILE 41 -6.509 5.963 4.653 338 1HG1 ILE 41 HG12 ILE 41 -7.063 8.489 4.101 339 2HG1 ILE 41 HG11 ILE 41 -6.059 8.174 2.687 340 1HG2 ILE 41 HG21 ILE 41 -4.683 8.318 5.077 341 2HG2 ILE 41 HG22 ILE 41 -4.441 6.762 5.869 342 3HG2 ILE 41 HG23 ILE 41 -5.914 7.686 6.168 343 1HD1 ILE 41 HD11 ILE 41 -8.565 6.713 3.479 344 2HD1 ILE 41 HD12 ILE 41 -7.529 6.269 2.125 345 3HD1 ILE 41 HD13 ILE 41 -8.361 7.826 2.126 346 H GLU 42 HN GLU 42 -2.604 5.947 4.573 347 HA GLU 42 HA GLU 42 -1.610 8.438 3.389 348 1HB GLU 42 HB2 GLU 42 -0.727 6.842 5.793 349 2HB GLU 42 HB1 GLU 42 0.197 8.194 5.153 350 1HG GLU 42 HG2 GLU 42 -2.625 8.318 6.194 351 2HG GLU 42 HG1 GLU 42 -1.179 8.867 7.040 352 H LEU 43 HN LEU 43 -0.913 5.032 3.765 353 HA LEU 43 HA LEU 43 1.611 4.866 2.599 354 1HB LEU 43 HB2 LEU 43 -0.450 3.099 3.385 355 2HB LEU 43 HB1 LEU 43 -0.030 2.674 1.742 356 HG LEU 43 HG LEU 43 1.222 1.315 3.322 357 1HD1 LEU 43 HD11 LEU 43 3.522 1.871 2.562 358 2HD1 LEU 43 HD12 LEU 43 2.874 3.351 1.855 359 3HD1 LEU 43 HD13 LEU 43 2.334 1.781 1.263 360 1HD2 LEU 43 HD21 LEU 43 2.229 2.092 5.155 361 2HD2 LEU 43 HD22 LEU 43 1.255 3.539 4.893 362 3HD2 LEU 43 HD23 LEU 43 2.916 3.477 4.305 363 H ILE 44 HN ILE 44 -1.521 4.244 1.116 364 HA ILE 44 HA ILE 44 -0.752 4.171 -1.534 365 HB ILE 44 HB ILE 44 -3.081 4.448 -2.073 366 1HG1 ILE 44 HG12 ILE 44 -3.602 5.182 0.804 367 2HG1 ILE 44 HG11 ILE 44 -3.389 6.394 -0.441 368 1HG2 ILE 44 HG21 ILE 44 -4.051 2.821 -0.344 369 2HG2 ILE 44 HG22 ILE 44 -2.454 2.862 0.400 370 3HG2 ILE 44 HG23 ILE 44 -2.641 2.299 -1.262 371 1HD1 ILE 44 HD11 ILE 44 -5.745 5.286 0.331 372 2HD1 ILE 44 HD12 ILE 44 -5.344 4.343 -1.103 373 3HD1 ILE 44 HD13 ILE 44 -5.457 6.100 -1.203 374 H TYR 45 HN TYR 45 -0.634 6.786 0.534 375 HA TYR 45 HA TYR 45 -0.957 8.739 -1.639 376 1HB TYR 45 HB2 TYR 45 -1.294 8.883 1.318 377 2HB TYR 45 HB1 TYR 45 -0.755 10.334 0.483 378 HD1 TYR 45 HD1 TYR 45 -2.984 8.040 -1.297 379 HD2 TYR 45 HD2 TYR 45 -2.802 11.473 1.221 380 HE1 TYR 45 HE1 TYR 45 -5.319 8.571 -1.854 381 HE2 TYR 45 HE2 TYR 45 -5.134 12.011 0.663 382 HH TYR 45 HH TYR 45 -6.746 11.554 -1.159 383 H LEU 46 HN LEU 46 1.395 7.189 0.306 384 HA LEU 46 HA LEU 46 3.391 9.158 0.437 385 1HB LEU 46 HB2 LEU 46 3.843 6.195 0.101 386 2HB LEU 46 HB1 LEU 46 4.971 7.356 0.748 387 HG LEU 46 HG LEU 46 2.441 6.384 2.056 388 1HD1 LEU 46 HD11 LEU 46 4.110 5.691 3.809 389 2HD1 LEU 46 HD12 LEU 46 5.379 6.058 2.636 390 3HD1 LEU 46 HD13 LEU 46 4.189 4.800 2.290 391 1HD2 LEU 46 HD21 LEU 46 4.052 8.800 2.517 392 2HD2 LEU 46 HD22 LEU 46 3.712 7.830 3.950 393 3HD2 LEU 46 HD23 LEU 46 2.382 8.443 2.966 394 H ASP 47 HN ASP 47 5.619 8.174 -0.719 395 HA ASP 47 HA ASP 47 5.182 7.753 -3.547 396 1HB ASP 47 HB2 ASP 47 6.601 10.228 -2.532 397 2HB ASP 47 HB1 ASP 47 6.566 9.699 -4.210 398 H ASP 48 HN ASP 48 7.374 7.633 -4.670 399 HA ASP 48 HA ASP 48 8.930 5.624 -3.649 400 1HB ASP 48 HB2 ASP 48 9.380 5.999 -5.875 401 2HB ASP 48 HB1 ASP 48 9.362 7.749 -5.693 402 H GLU 49 HN GLU 49 9.541 9.098 -3.445 403 HA GLU 49 HA GLU 49 11.936 9.007 -2.018 404 1HB GLU 49 HB2 GLU 49 11.038 11.019 -3.130 405 2HB GLU 49 HB1 GLU 49 9.812 11.140 -1.879 406 1HG GLU 49 HG2 GLU 49 11.562 11.438 -0.195 407 2HG GLU 49 HG1 GLU 49 12.784 11.341 -1.462 408 H THR 50 HN THR 50 8.612 9.355 -0.721 409 HA THR 50 HA THR 50 9.346 9.545 1.974 410 HB THR 50 HB THR 50 6.803 8.405 0.802 411 HG1 THR 50 HG1 THR 50 7.112 10.956 1.982 412 1HG2 THR 50 HG21 THR 50 7.168 7.689 3.132 413 2HG2 THR 50 HG22 THR 50 5.816 8.815 2.992 414 3HG2 THR 50 HG23 THR 50 7.370 9.378 3.606 415 H LEU 51 HN LEU 51 8.387 6.701 0.079 416 HA LEU 51 HA LEU 51 8.497 4.743 2.016 417 1HB LEU 51 HB2 LEU 51 9.227 4.722 -0.900 418 2HB LEU 51 HB1 LEU 51 9.257 3.261 0.066 419 HG LEU 51 HG LEU 51 6.795 4.976 -0.205 420 1HD1 LEU 51 HD11 LEU 51 6.010 3.430 -1.891 421 2HD1 LEU 51 HD12 LEU 51 7.522 2.530 -1.803 422 3HD1 LEU 51 HD13 LEU 51 7.515 4.183 -2.418 423 1HD2 LEU 51 HD21 LEU 51 7.292 2.158 0.742 424 2HD2 LEU 51 HD22 LEU 51 5.692 2.846 0.469 425 3HD2 LEU 51 HD23 LEU 51 6.747 3.530 1.706 426 H GLU 52 HN GLU 52 11.142 6.131 0.118 427 HA GLU 52 HA GLU 52 13.213 4.482 1.037 428 1HB GLU 52 HB2 GLU 52 13.216 6.277 -0.823 429 2HB GLU 52 HB1 GLU 52 13.556 7.423 0.471 430 1HG GLU 52 HG2 GLU 52 15.562 6.105 1.055 431 2HG GLU 52 HG1 GLU 52 15.243 5.059 -0.328 432 H LYS 53 HN LYS 53 11.929 7.532 2.202 433 HA LYS 53 HA LYS 53 13.647 7.966 4.344 434 1HB LYS 53 HB2 LYS 53 10.764 8.687 4.009 435 2HB LYS 53 HB1 LYS 53 11.753 9.300 5.320 436 1HG LYS 53 HG2 LYS 53 12.073 9.771 2.376 437 2HG LYS 53 HG1 LYS 53 11.596 10.951 3.593 438 1HD LYS 53 HD2 LYS 53 13.805 11.491 3.395 439 2HD LYS 53 HD1 LYS 53 13.949 10.217 4.615 440 1HE LYS 53 HE2 LYS 53 13.988 8.708 2.443 441 2HE LYS 53 HE1 LYS 53 14.653 10.186 1.738 442 1HZ LYS 53 HZ1 LYS 53 15.740 8.704 4.073 443 2HZ LYS 53 HZ2 LYS 53 16.341 10.182 3.512 444 3HZ LYS 53 HZ3 LYS 53 16.435 8.806 2.533 445 H LYS 54 HN LYS 54 10.822 5.891 4.100 446 HA LYS 54 HA LYS 54 10.606 5.326 6.884 447 1HB LYS 54 HB2 LYS 54 9.685 3.394 4.785 448 2HB LYS 54 HB1 LYS 54 8.919 3.839 6.303 449 1HG LYS 54 HG2 LYS 54 9.105 5.624 3.894 450 2HG LYS 54 HG1 LYS 54 7.692 4.666 4.338 451 1HD LYS 54 HD2 LYS 54 8.586 6.188 6.594 452 2HD LYS 54 HD1 LYS 54 8.361 7.253 5.206 453 1HE LYS 54 HE2 LYS 54 6.109 6.705 4.998 454 2HE LYS 54 HE1 LYS 54 6.303 5.205 5.908 455 1HZ LYS 54 HZ1 LYS 54 6.672 7.868 7.153 456 2HZ LYS 54 HZ2 LYS 54 6.423 6.381 7.922 457 3HZ LYS 54 HZ3 LYS 54 5.158 7.121 7.077 458 H GLY 55 HN GLY 55 11.701 3.423 4.123 459 1HA GLY 55 HA2 GLY 55 14.087 2.507 5.147 460 2HA GLY 55 HA1 GLY 55 12.872 1.340 5.656 461 H VAL 56 HN VAL 56 11.409 2.217 3.077 462 HA VAL 56 HA VAL 56 12.305 0.072 1.440 463 HB VAL 56 HB VAL 56 10.582 2.326 0.450 464 1HG1 VAL 56 HG11 VAL 56 9.931 -0.511 -0.036 465 2HG1 VAL 56 HG12 VAL 56 11.390 0.105 -0.805 466 3HG1 VAL 56 HG13 VAL 56 9.837 0.878 -1.115 467 1HG2 VAL 56 HG21 VAL 56 8.704 0.707 1.413 468 2HG2 VAL 56 HG22 VAL 56 9.373 2.036 2.358 469 3HG2 VAL 56 HG23 VAL 56 9.962 0.392 2.607 470 H LEU 57 HN LEU 57 14.529 0.629 1.207 471 HA LEU 57 HA LEU 57 15.271 3.043 -0.185 472 1HB LEU 57 HB2 LEU 57 16.698 0.732 1.034 473 2HB LEU 57 HB1 LEU 57 17.554 1.720 -0.132 474 HG LEU 57 HG LEU 57 17.717 3.510 1.288 475 1HD1 LEU 57 HD11 LEU 57 16.125 3.821 3.250 476 2HD1 LEU 57 HD12 LEU 57 15.130 2.577 2.491 477 3HD1 LEU 57 HD13 LEU 57 15.467 4.080 1.634 478 1HD2 LEU 57 HD21 LEU 57 18.685 1.407 2.333 479 2HD2 LEU 57 HD22 LEU 57 17.275 1.420 3.396 480 3HD2 LEU 57 HD23 LEU 57 18.402 2.775 3.410 481 H ALA 58 HN ALA 58 14.575 -0.241 -1.022 482 HA ALA 58 HA ALA 58 16.030 -0.470 -3.415 483 1HB ALA 58 HB1 ALA 58 14.947 -2.434 -3.701 484 2HB ALA 58 HB2 ALA 58 13.377 -1.742 -3.284 485 3HB ALA 58 HB3 ALA 58 14.522 -2.168 -2.008 486 H LEU 59 HN LEU 59 15.935 0.949 -5.021 487 HA LEU 59 HA LEU 59 13.853 2.660 -5.643 488 1HB LEU 59 HB2 LEU 59 16.163 1.529 -7.142 489 2HB LEU 59 HB1 LEU 59 14.890 2.271 -8.092 490 HG LEU 59 HG LEU 59 16.721 3.833 -7.619 491 1HD1 LEU 59 HD11 LEU 59 15.315 5.659 -6.685 492 2HD1 LEU 59 HD12 LEU 59 14.080 4.450 -6.322 493 3HD1 LEU 59 HD13 LEU 59 14.550 4.759 -7.995 494 1HD2 LEU 59 HD21 LEU 59 17.144 4.636 -5.384 495 2HD2 LEU 59 HD22 LEU 59 17.367 2.888 -5.429 496 3HD2 LEU 59 HD23 LEU 59 15.900 3.570 -4.730 497 H GLY 60 HN GLY 60 14.326 -0.692 -6.285 498 1HA GLY 60 HA2 GLY 60 12.278 -0.952 -8.250 499 2HA GLY 60 HA1 GLY 60 13.081 -2.262 -7.408 500 H ALA 61 HN ALA 61 12.450 -1.488 -4.760 501 HA ALA 61 HA ALA 61 9.846 -2.606 -4.553 502 1HB ALA 61 HB1 ALA 61 10.335 -2.938 -2.365 503 2HB ALA 61 HB2 ALA 61 11.161 -1.394 -2.191 504 3HB ALA 61 HB3 ALA 61 11.968 -2.744 -2.989 505 H ARG 62 HN ARG 62 11.156 0.591 -3.570 506 HA ARG 62 HA ARG 62 8.667 1.532 -2.666 507 1HB ARG 62 HB2 ARG 62 9.709 3.748 -2.614 508 2HB ARG 62 HB1 ARG 62 10.711 2.524 -1.879 509 1HG ARG 62 HG2 ARG 62 12.013 2.430 -4.014 510 2HG ARG 62 HG1 ARG 62 11.104 3.852 -4.533 511 1HD ARG 62 HD2 ARG 62 11.878 5.034 -2.495 512 2HD ARG 62 HD1 ARG 62 12.850 3.628 -2.087 513 HE ARG 62 HE ARG 62 13.971 4.093 -4.329 514 1HH1 ARG 62 HH11 ARG 62 12.566 6.578 -2.331 515 2HH1 ARG 62 HH12 ARG 62 13.671 7.803 -2.853 516 1HH2 ARG 62 HH21 ARG 62 15.445 5.710 -5.006 517 2HH2 ARG 62 HH22 ARG 62 15.301 7.312 -4.371 518 H ARG 63 HN ARG 63 10.432 2.516 -5.598 519 HA ARG 63 HA ARG 63 8.454 4.051 -6.736 520 1HB ARG 63 HB2 ARG 63 10.467 2.232 -8.064 521 2HB ARG 63 HB1 ARG 63 9.411 3.303 -8.971 522 1HG ARG 63 HG2 ARG 63 10.355 5.207 -7.648 523 2HG ARG 63 HG1 ARG 63 11.533 4.071 -6.987 524 1HD ARG 63 HD2 ARG 63 12.378 3.603 -9.208 525 2HD ARG 63 HD1 ARG 63 11.144 4.642 -9.923 526 HE ARG 63 HE ARG 63 12.892 5.933 -8.011 527 1HH1 ARG 63 HH11 ARG 63 12.297 5.160 -11.356 528 2HH1 ARG 63 HH12 ARG 63 13.289 6.443 -11.962 529 1HH2 ARG 63 HH21 ARG 63 14.202 7.624 -8.799 530 2HH2 ARG 63 HH22 ARG 63 14.374 7.843 -10.509 531 H LYS 64 HN LYS 64 8.635 0.613 -6.370 532 HA LYS 64 HA LYS 64 6.567 -0.026 -8.263 533 1HB LYS 64 HB2 LYS 64 8.251 -1.680 -7.716 534 2HB LYS 64 HB1 LYS 64 7.804 -1.620 -6.012 535 1HG LYS 64 HG2 LYS 64 5.666 -2.611 -6.493 536 2HG LYS 64 HG1 LYS 64 5.981 -2.542 -8.229 537 1HD LYS 64 HD2 LYS 64 7.865 -4.081 -7.941 538 2HD LYS 64 HD1 LYS 64 7.543 -4.151 -6.208 539 1HE LYS 64 HE2 LYS 64 6.617 -6.096 -7.349 540 2HE LYS 64 HE1 LYS 64 5.337 -5.101 -6.654 541 1HZ LYS 64 HZ1 LYS 64 4.952 -4.141 -8.844 542 2HZ LYS 64 HZ2 LYS 64 4.768 -5.822 -8.883 543 3HZ LYS 64 HZ3 LYS 64 6.171 -5.112 -9.506 544 H LEU 65 HN LEU 65 6.741 0.439 -4.759 545 HA LEU 65 HA LEU 65 4.171 -0.372 -4.081 546 1HB LEU 65 HB2 LEU 65 6.201 1.414 -2.902 547 2HB LEU 65 HB1 LEU 65 4.555 1.656 -2.345 548 HG LEU 65 HG LEU 65 5.413 -1.143 -2.379 549 1HD1 LEU 65 HD11 LEU 65 6.749 0.843 -0.558 550 2HD1 LEU 65 HD12 LEU 65 7.519 -0.210 -1.744 551 3HD1 LEU 65 HD13 LEU 65 6.754 -0.905 -0.315 552 1HD2 LEU 65 HD21 LEU 65 4.371 -1.075 -0.137 553 2HD2 LEU 65 HD22 LEU 65 3.307 -0.488 -1.414 554 3HD2 LEU 65 HD23 LEU 65 4.114 0.658 -0.342 555 H LEU 66 HN LEU 66 5.312 2.491 -5.650 556 HA LEU 66 HA LEU 66 3.131 4.197 -5.226 557 1HB LEU 66 HB2 LEU 66 5.283 3.998 -7.281 558 2HB LEU 66 HB1 LEU 66 3.939 5.087 -7.571 559 HG LEU 66 HG LEU 66 5.276 5.296 -4.932 560 1HD1 LEU 66 HD11 LEU 66 6.601 5.923 -7.534 561 2HD1 LEU 66 HD12 LEU 66 7.282 5.214 -6.067 562 3HD1 LEU 66 HD13 LEU 66 6.899 6.936 -6.120 563 1HD2 LEU 66 HD21 LEU 66 4.860 7.686 -5.345 564 2HD2 LEU 66 HD22 LEU 66 3.393 6.717 -5.476 565 3HD2 LEU 66 HD23 LEU 66 4.210 7.283 -6.933 566 H LYS 67 HN LYS 67 3.470 1.387 -7.157 567 HA LYS 67 HA LYS 67 1.320 1.993 -8.969 568 1HB LYS 67 HB2 LYS 67 3.405 0.347 -9.187 569 2HB LYS 67 HB1 LYS 67 2.272 -0.791 -8.479 570 1HG LYS 67 HG2 LYS 67 1.540 0.828 -10.891 571 2HG LYS 67 HG1 LYS 67 2.464 -0.667 -11.035 572 1HD LYS 67 HD2 LYS 67 -0.117 -0.578 -9.511 573 2HD LYS 67 HD1 LYS 67 -0.096 -0.781 -11.262 574 1HE LYS 67 HE2 LYS 67 1.330 -2.544 -9.285 575 2HE LYS 67 HE1 LYS 67 -0.199 -2.928 -10.069 576 1HZ LYS 67 HZ1 LYS 67 1.652 -3.993 -11.187 577 2HZ LYS 67 HZ2 LYS 67 2.396 -2.498 -11.450 578 3HZ LYS 67 HZ3 LYS 67 0.927 -2.856 -12.209 579 H ALA 68 HN ALA 68 1.870 0.203 -6.006 580 HA ALA 68 HA ALA 68 -0.765 -0.903 -5.832 581 1HB ALA 68 HB1 ALA 68 -0.105 -1.463 -3.501 582 2HB ALA 68 HB2 ALA 68 1.407 -0.588 -3.751 583 3HB ALA 68 HB3 ALA 68 1.049 -2.024 -4.708 584 H PHE 69 HN PHE 69 0.695 2.102 -5.049 585 HA PHE 69 HA PHE 69 -1.072 2.975 -3.017 586 1HB PHE 69 HB2 PHE 69 0.749 4.427 -4.932 587 2HB PHE 69 HB1 PHE 69 -0.201 5.262 -3.720 588 HD1 PHE 69 HD1 PHE 69 0.549 2.358 -2.084 589 HD2 PHE 69 HD2 PHE 69 2.496 5.834 -3.591 590 HE1 PHE 69 HE1 PHE 69 2.362 2.051 -0.455 591 HE2 PHE 69 HE2 PHE 69 4.308 5.528 -1.957 592 HZ PHE 69 HZ PHE 69 4.239 3.639 -0.378 593 H GLY 70 HN GLY 70 -1.083 3.317 -6.546 594 1HA GLY 70 HA2 GLY 70 -3.285 5.140 -6.578 595 2HA GLY 70 HA1 GLY 70 -2.608 4.315 -7.966 596 H ILE 71 HN ILE 71 -3.079 1.691 -7.455 597 HA ILE 71 HA ILE 71 -5.716 1.351 -8.240 598 HB ILE 71 HB ILE 71 -4.061 -0.698 -6.762 599 1HG1 ILE 71 HG12 ILE 71 -4.206 -0.541 -9.744 600 2HG1 ILE 71 HG11 ILE 71 -3.115 0.550 -8.895 601 1HG2 ILE 71 HG21 ILE 71 -6.205 -1.108 -8.838 602 2HG2 ILE 71 HG22 ILE 71 -6.494 -1.180 -7.101 603 3HG2 ILE 71 HG23 ILE 71 -5.402 -2.338 -7.861 604 1HD1 ILE 71 HD11 ILE 71 -3.096 -2.438 -8.579 605 2HD1 ILE 71 HD12 ILE 71 -1.919 -1.283 -7.947 606 3HD1 ILE 71 HD13 ILE 71 -2.056 -1.541 -9.689 607 H VAL 72 HN VAL 72 -4.352 1.473 -5.011 608 HA VAL 72 HA VAL 72 -6.672 0.467 -3.671 609 HB VAL 72 HB VAL 72 -4.430 2.178 -2.589 610 1HG1 VAL 72 HG11 VAL 72 -5.148 1.446 -0.390 611 2HG1 VAL 72 HG12 VAL 72 -6.466 0.523 -1.101 612 3HG1 VAL 72 HG13 VAL 72 -6.463 2.280 -1.216 613 1HG2 VAL 72 HG21 VAL 72 -3.977 -0.186 -3.583 614 2HG2 VAL 72 HG22 VAL 72 -4.719 -0.747 -2.086 615 3HG2 VAL 72 HG23 VAL 72 -3.280 0.264 -2.028 616 H ILE 73 HN ILE 73 -5.410 3.658 -4.435 617 HA ILE 73 HA ILE 73 -7.234 5.213 -3.015 618 HB ILE 73 HB ILE 73 -5.598 5.711 -5.493 619 1HG1 ILE 73 HG12 ILE 73 -5.495 7.046 -2.792 620 2HG1 ILE 73 HG11 ILE 73 -4.590 5.588 -3.177 621 1HG2 ILE 73 HG21 ILE 73 -6.278 8.189 -5.024 622 2HG2 ILE 73 HG22 ILE 73 -7.719 7.450 -4.329 623 3HG2 ILE 73 HG23 ILE 73 -7.307 7.157 -6.016 624 1HD1 ILE 73 HD11 ILE 73 -4.298 7.962 -4.942 625 2HD1 ILE 73 HD12 ILE 73 -3.140 6.688 -4.551 626 3HD1 ILE 73 HD13 ILE 73 -3.494 7.949 -3.372 627 H ASP 74 HN ASP 74 -7.329 4.455 -6.504 628 HA ASP 74 HA ASP 74 -9.797 5.588 -7.047 629 1HB ASP 74 HB2 ASP 74 -8.000 4.436 -8.609 630 2HB ASP 74 HB1 ASP 74 -9.023 3.020 -8.400 631 H TYR 75 HN TYR 75 -9.166 2.149 -6.140 632 HA TYR 75 HA TYR 75 -11.874 1.408 -6.155 633 1HB TYR 75 HB2 TYR 75 -9.390 0.249 -5.008 634 2HB TYR 75 HB1 TYR 75 -10.909 -0.300 -4.307 635 HD1 TYR 75 HD1 TYR 75 -11.274 0.645 -7.716 636 HD2 TYR 75 HD2 TYR 75 -10.032 -2.565 -5.230 637 HE1 TYR 75 HE1 TYR 75 -11.579 -0.907 -9.591 638 HE2 TYR 75 HE2 TYR 75 -10.322 -4.132 -7.100 639 HH TYR 75 HH TYR 75 -10.725 -3.127 -10.299 640 H LYS 76 HN LYS 76 -9.905 2.998 -3.754 641 HA LYS 76 HA LYS 76 -11.676 2.850 -1.565 642 1HB LYS 76 HB2 LYS 76 -9.707 3.804 -0.814 643 2HB LYS 76 HB1 LYS 76 -9.363 4.514 -2.376 644 1HG LYS 76 HG2 LYS 76 -10.902 6.319 -1.958 645 2HG LYS 76 HG1 LYS 76 -11.390 5.592 -0.445 646 1HD LYS 76 HD2 LYS 76 -9.816 7.496 -0.202 647 2HD LYS 76 HD1 LYS 76 -9.249 5.998 0.516 648 1HE LYS 76 HE2 LYS 76 -7.532 5.791 -0.927 649 2HE LYS 76 HE1 LYS 76 -8.454 6.457 -2.277 650 1HZ LYS 76 HZ1 LYS 76 -6.740 7.981 -1.745 651 2HZ LYS 76 HZ2 LYS 76 -7.116 7.957 -0.098 652 3HZ LYS 76 HZ3 LYS 76 -8.184 8.671 -1.198 653 H GLU 77 HN GLU 77 -11.160 5.130 -4.119 654 HA GLU 77 HA GLU 77 -13.244 6.930 -3.458 655 1HB GLU 77 HB2 GLU 77 -11.466 6.594 -5.866 656 2HB GLU 77 HB1 GLU 77 -12.496 7.979 -5.593 657 1HG GLU 77 HG2 GLU 77 -11.147 7.913 -3.247 658 2HG GLU 77 HG1 GLU 77 -9.945 7.238 -4.338 659 H ARG 78 HN ARG 78 -13.195 3.958 -5.095 660 HA ARG 78 HA ARG 78 -15.582 4.610 -6.670 661 1HB ARG 78 HB2 ARG 78 -13.637 2.316 -6.723 662 2HB ARG 78 HB1 ARG 78 -15.195 2.222 -7.526 663 1HG ARG 78 HG2 ARG 78 -14.597 4.195 -8.869 664 2HG ARG 78 HG1 ARG 78 -13.012 4.212 -8.093 665 1HD ARG 78 HD2 ARG 78 -12.815 3.107 -10.215 666 2HD ARG 78 HD1 ARG 78 -12.633 1.911 -8.932 667 HE ARG 78 HE ARG 78 -15.318 1.955 -9.671 668 1HH1 ARG 78 HH11 ARG 78 -12.232 1.131 -11.065 669 2HH1 ARG 78 HH12 ARG 78 -12.888 -0.062 -12.134 670 1HH2 ARG 78 HH21 ARG 78 -16.190 0.383 -11.075 671 2HH2 ARG 78 HH22 ARG 78 -15.138 -0.488 -12.140 672 H ASP 79 HN ASP 79 -15.570 4.350 -3.768 673 HA ASP 79 HA ASP 79 -16.604 3.324 -2.041 674 1HB ASP 79 HB2 ASP 79 -18.904 3.045 -2.340 675 2HB ASP 79 HB1 ASP 79 -18.458 4.245 -3.537 676 H LEU 80 HN LEU 80 -14.818 1.650 -3.763 677 HA LEU 80 HA LEU 80 -15.986 -0.999 -3.539 678 1HB LEU 80 HB2 LEU 80 -13.783 0.203 -5.007 679 2HB LEU 80 HB1 LEU 80 -13.308 -1.299 -4.244 680 HG LEU 80 HG LEU 80 -15.588 -2.133 -5.351 681 1HD1 LEU 80 HD11 LEU 80 -15.885 -1.132 -7.546 682 2HD1 LEU 80 HD12 LEU 80 -14.621 0.048 -7.190 683 3HD1 LEU 80 HD13 LEU 80 -16.133 0.069 -6.277 684 1HD2 LEU 80 HD21 LEU 80 -13.272 -3.001 -5.672 685 2HD2 LEU 80 HD22 LEU 80 -13.065 -1.793 -6.940 686 3HD2 LEU 80 HD23 LEU 80 -14.277 -3.061 -7.122 687 H ILE 81 HN ILE 81 -13.872 1.104 -1.811 688 HA ILE 81 HA ILE 81 -12.997 -1.072 -0.046 689 HB ILE 81 HB ILE 81 -12.075 1.803 -0.176 690 1HG1 ILE 81 HG12 ILE 81 -10.777 -0.791 -1.028 691 2HG1 ILE 81 HG11 ILE 81 -11.299 0.518 -2.081 692 1HG2 ILE 81 HG21 ILE 81 -10.948 -0.457 1.479 693 2HG2 ILE 81 HG22 ILE 81 -12.004 0.805 2.113 694 3HG2 ILE 81 HG23 ILE 81 -10.415 1.224 1.472 695 1HD1 ILE 81 HD11 ILE 81 -9.050 0.593 -0.087 696 2HD1 ILE 81 HD12 ILE 81 -9.611 1.978 -1.020 697 3HD1 ILE 81 HD13 ILE 81 -8.917 0.585 -1.846 698 H ASP 82 HN ASP 82 -13.746 -1.280 1.966 699 HA ASP 82 HA ASP 82 -16.082 0.026 2.795 700 1HB ASP 82 HB2 ASP 82 -14.973 -2.234 3.553 701 2HB ASP 82 HB1 ASP 82 -14.215 -1.215 4.774 702 H ARG 83 HN ARG 83 -16.460 1.762 4.079 703 HA ARG 83 HA ARG 83 -14.459 3.726 4.377 704 1HB ARG 83 HB2 ARG 83 -17.174 3.453 5.683 705 2HB ARG 83 HB1 ARG 83 -16.157 4.879 5.829 706 1HG ARG 83 HG2 ARG 83 -17.109 3.788 3.194 707 2HG ARG 83 HG1 ARG 83 -17.968 5.027 4.111 708 1HD ARG 83 HD2 ARG 83 -16.181 6.561 3.889 709 2HD ARG 83 HD1 ARG 83 -15.082 5.311 3.310 710 HE ARG 83 HE ARG 83 -16.195 5.349 1.217 711 1HH1 ARG 83 HH11 ARG 83 -17.338 7.771 3.448 712 2HH1 ARG 83 HH12 ARG 83 -18.069 8.745 2.215 713 1HH2 ARG 83 HH21 ARG 83 -17.152 6.626 -0.410 714 2HH2 ARG 83 HH22 ARG 83 -17.964 8.094 0.023 715 H SER 84 HN SER 84 -15.138 0.940 6.143 716 HA SER 84 HA SER 84 -14.415 1.750 8.750 717 1HB SER 84 HB2 SER 84 -14.224 -0.964 7.417 718 2HB SER 84 HB1 SER 84 -13.999 -0.680 9.142 719 HG SER 84 HG SER 84 -16.274 0.467 8.440 720 H ALA 85 HN ALA 85 -12.584 0.857 5.907 721 HA ALA 85 HA ALA 85 -10.084 0.451 7.207 722 1HB ALA 85 HB1 ALA 85 -9.151 0.865 4.893 723 2HB ALA 85 HB2 ALA 85 -10.812 1.115 4.358 724 3HB ALA 85 HB3 ALA 85 -10.324 -0.443 5.020 725 H TYR 86 HN TYR 86 -11.656 3.176 5.652 726 HA TYR 86 HA TYR 86 -9.783 5.120 5.541 727 1HB TYR 86 HB2 TYR 86 -12.636 5.327 6.490 728 2HB TYR 86 HB1 TYR 86 -11.621 6.742 6.272 729 HD1 TYR 86 HD1 TYR 86 -11.757 3.713 4.131 730 HD2 TYR 86 HD2 TYR 86 -12.674 7.846 4.500 731 HE1 TYR 86 HE1 TYR 86 -12.377 3.775 1.755 732 HE2 TYR 86 HE2 TYR 86 -13.301 7.926 2.124 733 HH TYR 86 HH TYR 86 -12.845 6.669 0.053 Start of MODEL 17 1 1H SER 1 HT1 SER 1 2.182 -15.098 -1.585 2 2H SER 1 HT2 SER 1 1.946 -13.550 -0.945 3 3H SER 1 HT3 SER 1 2.440 -14.815 0.063 4 HA SER 1 HA SER 1 4.276 -13.341 -0.448 5 1HB SER 1 HB2 SER 1 5.851 -15.076 -1.243 6 2HB SER 1 HB1 SER 1 4.748 -15.705 -0.019 7 HG SER 1 HG SER 1 4.516 -17.202 -1.512 8 H ASN 2 HN ASN 2 2.252 -12.759 -2.506 9 HA ASN 2 HA ASN 2 3.885 -12.686 -4.941 10 1HB ASN 2 HB2 ASN 2 0.954 -12.049 -4.532 11 2HB ASN 2 HB1 ASN 2 1.795 -12.026 -6.079 12 1HD2 ASN 2 HD21 ASN 2 -0.486 -13.612 -5.243 13 2HD2 ASN 2 HD22 ASN 2 -0.025 -15.266 -5.439 14 H SER 3 HN SER 3 3.189 -10.550 -6.271 15 HA SER 3 HA SER 3 2.986 -8.172 -4.693 16 1HB SER 3 HB2 SER 3 5.202 -7.240 -5.450 17 2HB SER 3 HB1 SER 3 5.322 -8.530 -4.253 18 HG SER 3 HG SER 3 5.687 -9.969 -6.050 19 H SER 4 HN SER 4 1.628 -9.407 -6.913 20 HA SER 4 HA SER 4 2.279 -7.739 -9.206 21 1HB SER 4 HB2 SER 4 0.116 -9.823 -8.844 22 2HB SER 4 HB1 SER 4 0.493 -8.996 -10.355 23 HG SER 4 HG SER 4 2.672 -10.149 -9.163 24 H MET 5 HN MET 5 1.005 -6.936 -6.498 25 HA MET 5 HA MET 5 -0.440 -5.367 -5.739 26 1HB MET 5 HB2 MET 5 -0.175 -4.600 -8.619 27 2HB MET 5 HB1 MET 5 -1.315 -3.752 -7.582 28 1HG MET 5 HG2 MET 5 0.781 -2.563 -7.677 29 2HG MET 5 HG1 MET 5 0.500 -3.183 -6.052 30 1HE MET 5 HE1 MET 5 4.164 -3.554 -5.798 31 2HE MET 5 HE2 MET 5 2.737 -2.541 -5.555 32 3HE MET 5 HE3 MET 5 3.711 -2.359 -7.015 33 H ASN 6 HN ASN 6 -1.837 -7.284 -5.349 34 HA ASN 6 HA ASN 6 -3.998 -7.899 -7.091 35 1HB ASN 6 HB2 ASN 6 -3.024 -9.384 -5.282 36 2HB ASN 6 HB1 ASN 6 -3.872 -8.383 -4.107 37 1HD2 ASN 6 HD21 ASN 6 -4.200 -10.701 -6.675 38 2HD2 ASN 6 HD22 ASN 6 -5.844 -11.123 -6.354 39 HA PRO 7 HA PRO 7 -6.173 -4.083 -5.966 40 1HB PRO 7 HB2 PRO 7 -8.305 -4.492 -7.653 41 2HB PRO 7 HB1 PRO 7 -6.788 -3.723 -8.118 42 1HG PRO 7 HG2 PRO 7 -7.734 -6.486 -8.621 43 2HG PRO 7 HG1 PRO 7 -6.736 -5.437 -9.633 44 1HD PRO 7 HD2 PRO 7 -5.745 -7.502 -8.147 45 2HD PRO 7 HD1 PRO 7 -4.804 -6.073 -8.596 46 H LYS 8 HN LYS 8 -7.250 -7.354 -5.663 47 HA LYS 8 HA LYS 8 -9.732 -6.652 -4.379 48 1HB LYS 8 HB2 LYS 8 -8.280 -9.306 -4.370 49 2HB LYS 8 HB1 LYS 8 -9.933 -9.035 -3.846 50 1HG LYS 8 HG2 LYS 8 -10.475 -9.685 -5.906 51 2HG LYS 8 HG1 LYS 8 -10.000 -8.051 -6.381 52 1HD LYS 8 HD2 LYS 8 -7.606 -9.415 -6.325 53 2HD LYS 8 HD1 LYS 8 -8.737 -10.609 -6.966 54 1HE LYS 8 HE2 LYS 8 -8.344 -7.814 -8.009 55 2HE LYS 8 HE1 LYS 8 -7.698 -9.281 -8.745 56 1HZ LYS 8 HZ1 LYS 8 -10.577 -8.638 -8.390 57 2HZ LYS 8 HZ2 LYS 8 -9.969 -10.059 -9.076 58 3HZ LYS 8 HZ3 LYS 8 -9.721 -8.575 -9.849 59 H SER 9 HN SER 9 -6.572 -7.838 -3.356 60 HA SER 9 HA SER 9 -7.214 -7.741 -0.568 61 1HB SER 9 HB2 SER 9 -5.565 -9.332 -1.575 62 2HB SER 9 HB1 SER 9 -4.493 -7.965 -1.871 63 HG SER 9 HG SER 9 -5.500 -8.538 0.702 64 H LEU 10 HN LEU 10 -5.242 -5.765 -2.742 65 HA LEU 10 HA LEU 10 -4.272 -3.968 -0.842 66 1HB LEU 10 HB2 LEU 10 -4.909 -3.443 -3.743 67 2HB LEU 10 HB1 LEU 10 -3.916 -2.423 -2.724 68 HG LEU 10 HG LEU 10 -3.271 -5.231 -3.626 69 1HD1 LEU 10 HD11 LEU 10 -2.046 -2.553 -4.260 70 2HD1 LEU 10 HD12 LEU 10 -2.942 -3.598 -5.364 71 3HD1 LEU 10 HD13 LEU 10 -1.376 -4.112 -4.740 72 1HD2 LEU 10 HD21 LEU 10 -2.432 -3.907 -1.282 73 2HD2 LEU 10 HD22 LEU 10 -1.074 -3.893 -2.405 74 3HD2 LEU 10 HD23 LEU 10 -1.830 -5.420 -1.955 75 H THR 11 HN THR 11 -7.468 -4.436 -1.802 76 HA THR 11 HA THR 11 -8.131 -1.714 -0.851 77 HB THR 11 HB THR 11 -9.957 -1.551 -2.360 78 HG1 THR 11 HG1 THR 11 -9.652 -4.297 -2.495 79 1HG2 THR 11 HG21 THR 11 -7.594 -1.239 -3.281 80 2HG2 THR 11 HG22 THR 11 -8.868 -1.503 -4.463 81 3HG2 THR 11 HG23 THR 11 -7.789 -2.821 -4.022 82 H ASP 12 HN ASP 12 -7.904 -4.371 0.497 83 HA ASP 12 HA ASP 12 -10.650 -4.608 1.511 84 1HB ASP 12 HB2 ASP 12 -9.531 -6.673 0.505 85 2HB ASP 12 HB1 ASP 12 -8.433 -6.628 1.879 86 HA PRO 13 HA PRO 13 -9.053 -2.171 4.908 87 1HB PRO 13 HB2 PRO 13 -11.306 -3.659 6.221 88 2HB PRO 13 HB1 PRO 13 -10.847 -1.957 6.377 89 1HG PRO 13 HG2 PRO 13 -12.853 -2.618 4.800 90 2HG PRO 13 HG1 PRO 13 -11.666 -1.404 4.265 91 1HD PRO 13 HD2 PRO 13 -11.986 -4.256 3.424 92 2HD PRO 13 HD1 PRO 13 -11.465 -2.852 2.477 93 H LYS 14 HN LYS 14 -9.393 -5.643 4.891 94 HA LYS 14 HA LYS 14 -8.376 -6.165 7.477 95 1HB LYS 14 HB2 LYS 14 -9.360 -7.736 5.501 96 2HB LYS 14 HB1 LYS 14 -7.641 -8.070 5.341 97 1HG LYS 14 HG2 LYS 14 -9.311 -8.414 7.824 98 2HG LYS 14 HG1 LYS 14 -8.677 -9.697 6.793 99 1HD LYS 14 HD2 LYS 14 -6.957 -7.713 8.285 100 2HD LYS 14 HD1 LYS 14 -7.367 -9.322 8.886 101 1HE LYS 14 HE2 LYS 14 -6.334 -10.295 6.857 102 2HE LYS 14 HE1 LYS 14 -5.853 -8.671 6.364 103 1HZ LYS 14 HZ1 LYS 14 -5.027 -9.935 8.919 104 2HZ LYS 14 HZ2 LYS 14 -4.451 -8.485 8.265 105 3HZ LYS 14 HZ3 LYS 14 -4.089 -9.954 7.511 106 H LEU 15 HN LEU 15 -6.757 -6.068 4.316 107 HA LEU 15 HA LEU 15 -4.132 -6.289 5.403 108 1HB LEU 15 HB2 LEU 15 -5.150 -5.405 2.708 109 2HB LEU 15 HB1 LEU 15 -3.456 -5.522 3.090 110 HG LEU 15 HG LEU 15 -4.104 -7.470 1.857 111 1HD1 LEU 15 HD11 LEU 15 -3.944 -9.065 4.124 112 2HD1 LEU 15 HD12 LEU 15 -3.139 -7.556 4.566 113 3HD1 LEU 15 HD13 LEU 15 -2.601 -8.462 3.149 114 1HD2 LEU 15 HD21 LEU 15 -5.822 -8.997 2.609 115 2HD2 LEU 15 HD22 LEU 15 -6.507 -7.387 2.386 116 3HD2 LEU 15 HD23 LEU 15 -6.155 -7.978 4.010 117 H LEU 16 HN LEU 16 -6.093 -3.657 4.149 118 HA LEU 16 HA LEU 16 -4.281 -1.589 4.238 119 1HB LEU 16 HB2 LEU 16 -7.188 -1.327 4.985 120 2HB LEU 16 HB1 LEU 16 -6.166 -0.136 4.210 121 HG LEU 16 HG LEU 16 -6.884 -2.749 2.911 122 1HD1 LEU 16 HD11 LEU 16 -8.800 -1.919 2.090 123 2HD1 LEU 16 HD12 LEU 16 -8.155 -0.289 1.942 124 3HD1 LEU 16 HD13 LEU 16 -8.731 -0.867 3.503 125 1HD2 LEU 16 HD21 LEU 16 -5.013 -0.737 2.308 126 2HD2 LEU 16 HD22 LEU 16 -6.323 -0.578 1.142 127 3HD2 LEU 16 HD23 LEU 16 -5.482 -2.117 1.318 128 H LYS 17 HN LYS 17 -6.493 -2.605 6.854 129 HA LYS 17 HA LYS 17 -5.525 -0.723 8.729 130 1HB LYS 17 HB2 LYS 17 -6.972 -3.347 9.120 131 2HB LYS 17 HB1 LYS 17 -6.631 -2.215 10.420 132 1HG LYS 17 HG2 LYS 17 -8.016 -0.551 9.424 133 2HG LYS 17 HG1 LYS 17 -8.214 -1.519 7.962 134 1HD LYS 17 HD2 LYS 17 -9.400 -3.225 9.243 135 2HD LYS 17 HD1 LYS 17 -9.182 -2.278 10.717 136 1HE LYS 17 HE2 LYS 17 -10.457 -0.445 9.694 137 2HE LYS 17 HE1 LYS 17 -10.722 -1.440 8.265 138 1HZ LYS 17 HZ1 LYS 17 -11.912 -3.032 9.636 139 2HZ LYS 17 HZ2 LYS 17 -12.622 -1.502 9.757 140 3HZ LYS 17 HZ3 LYS 17 -11.650 -2.084 11.013 141 H ASN 18 HN ASN 18 -4.406 -3.795 7.646 142 HA ASN 18 HA ASN 18 -2.277 -3.773 9.688 143 1HB ASN 18 HB2 ASN 18 -4.012 -5.832 9.193 144 2HB ASN 18 HB1 ASN 18 -2.694 -6.239 8.104 145 1HD2 ASN 18 HD21 ASN 18 -2.226 -8.079 9.327 146 2HD2 ASN 18 HD22 ASN 18 -1.400 -7.972 10.840 147 H ILE 19 HN ILE 19 -1.504 -2.078 8.074 148 HA ILE 19 HA ILE 19 -0.798 -2.348 5.512 149 HB ILE 19 HB ILE 19 0.860 -1.153 7.714 150 1HG1 ILE 19 HG12 ILE 19 -1.316 -0.081 7.165 151 2HG1 ILE 19 HG11 ILE 19 0.057 0.953 6.821 152 1HG2 ILE 19 HG21 ILE 19 1.363 -0.735 4.777 153 2HG2 ILE 19 HG22 ILE 19 2.242 -1.922 5.735 154 3HG2 ILE 19 HG23 ILE 19 2.349 -0.212 6.141 155 1HD1 ILE 19 HD11 ILE 19 -1.443 1.210 5.029 156 2HD1 ILE 19 HD12 ILE 19 -1.658 -0.528 4.846 157 3HD1 ILE 19 HD13 ILE 19 -0.119 0.222 4.422 158 HA PRO 20 HA PRO 20 3.346 -4.841 6.735 159 1HB PRO 20 HB2 PRO 20 1.830 -6.453 8.764 160 2HB PRO 20 HB1 PRO 20 3.564 -6.090 8.690 161 1HG PRO 20 HG2 PRO 20 1.993 -4.770 10.369 162 2HG PRO 20 HG1 PRO 20 3.276 -3.925 9.489 163 1HD PRO 20 HD2 PRO 20 0.333 -3.864 9.069 164 2HD PRO 20 HD1 PRO 20 1.544 -2.600 8.772 165 H MET 21 HN MET 21 0.205 -6.339 7.394 166 HA MET 21 HA MET 21 0.557 -8.644 5.820 167 1HB MET 21 HB2 MET 21 -1.197 -7.949 7.665 168 2HB MET 21 HB1 MET 21 -2.136 -7.416 6.278 169 1HG MET 21 HG2 MET 21 -2.659 -9.704 7.112 170 2HG MET 21 HG1 MET 21 -2.260 -9.605 5.401 171 1HE MET 21 HE1 MET 21 -0.611 -9.965 8.869 172 2HE MET 21 HE2 MET 21 0.803 -9.393 7.980 173 3HE MET 21 HE3 MET 21 0.749 -11.051 8.579 174 H TRP 22 HN TRP 22 -0.952 -5.501 5.161 175 HA TRP 22 HA TRP 22 -1.868 -5.904 2.593 176 1HB TRP 22 HB2 TRP 22 -2.221 -3.866 3.961 177 2HB TRP 22 HB1 TRP 22 -0.550 -3.403 3.696 178 HD1 TRP 22 HD1 TRP 22 -3.854 -3.823 1.755 179 HE1 TRP 22 HE1 TRP 22 -3.753 -2.314 -0.325 180 HE3 TRP 22 HE3 TRP 22 0.983 -2.198 2.172 181 HZ2 TRP 22 HZ2 TRP 22 -1.875 -0.673 -1.633 182 HZ3 TRP 22 HZ3 TRP 22 1.852 -0.661 0.444 183 HH2 TRP 22 HH2 TRP 22 0.450 0.088 -1.407 184 H LEU 23 HN LEU 23 1.355 -5.212 3.763 185 HA LEU 23 HA LEU 23 2.561 -4.992 1.179 186 1HB LEU 23 HB2 LEU 23 3.643 -5.308 3.974 187 2HB LEU 23 HB1 LEU 23 4.675 -5.222 2.565 188 HG LEU 23 HG LEU 23 2.747 -3.057 3.394 189 1HD1 LEU 23 HD11 LEU 23 5.066 -1.906 3.795 190 2HD1 LEU 23 HD12 LEU 23 5.609 -3.569 4.042 191 3HD1 LEU 23 HD13 LEU 23 4.319 -2.899 5.043 192 1HD2 LEU 23 HD21 LEU 23 3.787 -1.713 1.726 193 2HD2 LEU 23 HD22 LEU 23 3.322 -3.233 0.960 194 3HD2 LEU 23 HD23 LEU 23 5.003 -2.947 1.405 195 H LYS 24 HN LYS 24 1.863 -7.550 3.456 196 HA LYS 24 HA LYS 24 3.625 -9.511 2.642 197 1HB LYS 24 HB2 LYS 24 1.490 -9.351 4.371 198 2HB LYS 24 HB1 LYS 24 0.986 -10.552 3.196 199 1HG LYS 24 HG2 LYS 24 2.357 -12.051 4.000 200 2HG LYS 24 HG1 LYS 24 3.714 -10.929 3.883 201 1HD LYS 24 HD2 LYS 24 1.776 -11.218 6.146 202 2HD LYS 24 HD1 LYS 24 3.479 -11.610 6.125 203 1HE LYS 24 HE2 LYS 24 3.606 -9.024 5.436 204 2HE LYS 24 HE1 LYS 24 2.149 -9.008 6.421 205 1HZ LYS 24 HZ1 LYS 24 3.375 -9.976 8.241 206 2HZ LYS 24 HZ2 LYS 24 4.142 -8.559 7.729 207 3HZ LYS 24 HZ3 LYS 24 4.779 -10.066 7.299 208 H SER 25 HN SER 25 0.554 -8.465 1.275 209 HA SER 25 HA SER 25 0.462 -10.503 -0.738 210 1HB SER 25 HB2 SER 25 -1.083 -7.919 -0.378 211 2HB SER 25 HB1 SER 25 -1.365 -9.038 -1.712 212 HG SER 25 HG SER 25 -2.054 -9.244 0.946 213 H LEU 26 HN LEU 26 2.271 -7.741 -0.308 214 HA LEU 26 HA LEU 26 2.855 -7.492 -3.181 215 1HB LEU 26 HB2 LEU 26 3.405 -5.403 -1.078 216 2HB LEU 26 HB1 LEU 26 3.472 -5.215 -2.819 217 HG LEU 26 HG LEU 26 0.929 -5.752 -1.295 218 1HD1 LEU 26 HD11 LEU 26 0.436 -3.376 -1.594 219 2HD1 LEU 26 HD12 LEU 26 2.034 -3.127 -2.295 220 3HD1 LEU 26 HD13 LEU 26 1.878 -3.612 -0.606 221 1HD2 LEU 26 HD21 LEU 26 0.245 -4.527 -3.609 222 2HD2 LEU 26 HD22 LEU 26 0.281 -6.274 -3.379 223 3HD2 LEU 26 HD23 LEU 26 1.653 -5.456 -4.127 224 H ARG 27 HN ARG 27 3.847 -9.125 -0.774 225 HA ARG 27 HA ARG 27 5.719 -9.979 0.124 226 1HB ARG 27 HB2 ARG 27 7.312 -10.653 -1.365 227 2HB ARG 27 HB1 ARG 27 5.984 -10.269 -2.453 228 1HG ARG 27 HG2 ARG 27 7.038 -7.952 -2.577 229 2HG ARG 27 HG1 ARG 27 8.479 -8.728 -1.918 230 1HD ARG 27 HD2 ARG 27 7.002 -9.689 -4.328 231 2HD ARG 27 HD1 ARG 27 8.388 -8.604 -4.421 232 HE ARG 27 HE ARG 27 9.411 -10.623 -3.024 233 1HH1 ARG 27 HH11 ARG 27 7.443 -10.649 -5.899 234 2HH1 ARG 27 HH12 ARG 27 8.130 -12.118 -6.510 235 1HH2 ARG 27 HH21 ARG 27 10.322 -12.554 -3.822 236 2HH2 ARG 27 HH22 ARG 27 9.765 -13.201 -5.328 237 H LEU 28 HN LEU 28 5.435 -6.732 -0.212 238 HA LEU 28 HA LEU 28 8.149 -6.027 0.495 239 1HB LEU 28 HB2 LEU 28 5.612 -4.411 0.248 240 2HB LEU 28 HB1 LEU 28 7.114 -3.715 0.813 241 HG LEU 28 HG LEU 28 7.508 -5.115 -1.689 242 1HD1 LEU 28 HD11 LEU 28 6.228 -3.459 -3.059 243 2HD1 LEU 28 HD12 LEU 28 5.374 -2.999 -1.585 244 3HD1 LEU 28 HD13 LEU 28 5.237 -4.642 -2.209 245 1HD2 LEU 28 HD21 LEU 28 8.047 -2.544 -2.203 246 2HD2 LEU 28 HD22 LEU 28 9.149 -3.599 -1.325 247 3HD2 LEU 28 HD23 LEU 28 8.088 -2.501 -0.440 248 H HIS 29 HN HIS 29 6.270 -7.754 2.234 249 HA HIS 29 HA HIS 29 5.693 -6.371 4.597 250 1HB HIS 29 HB2 HIS 29 5.972 -8.585 5.738 251 2HB HIS 29 HB1 HIS 29 4.898 -8.635 4.342 252 HD1 HIS 29 HD1 HIS 29 6.289 -9.398 2.029 253 HD2 HIS 29 HD2 HIS 29 7.745 -10.620 5.722 254 HE1 HIS 29 HE1 HIS 29 7.787 -11.357 1.543 255 HE2 HIS 29 HE2 HIS 29 8.738 -12.016 3.782 256 H LYS 30 HN LYS 30 8.531 -7.107 3.046 257 HA LYS 30 HA LYS 30 10.479 -7.294 5.000 258 1HB LYS 30 HB2 LYS 30 11.795 -5.886 3.161 259 2HB LYS 30 HB1 LYS 30 11.374 -7.553 2.890 260 1HG LYS 30 HG2 LYS 30 9.377 -6.745 1.645 261 2HG LYS 30 HG1 LYS 30 10.031 -5.115 1.806 262 1HD LYS 30 HD2 LYS 30 12.149 -6.012 0.756 263 2HD LYS 30 HD1 LYS 30 11.233 -7.473 0.376 264 1HE LYS 30 HE2 LYS 30 9.659 -6.196 -0.925 265 2HE LYS 30 HE1 LYS 30 10.456 -4.698 -0.452 266 1HZ LYS 30 HZ1 LYS 30 11.636 -6.859 -2.111 267 2HZ LYS 30 HZ2 LYS 30 12.456 -5.466 -1.612 268 3HZ LYS 30 HZ3 LYS 30 11.136 -5.338 -2.660 269 H TYR 31 HN TYR 31 9.064 -4.530 3.428 270 HA TYR 31 HA TYR 31 10.222 -2.652 5.336 271 1HB TYR 31 HB2 TYR 31 8.560 -2.212 2.853 272 2HB TYR 31 HB1 TYR 31 9.327 -0.945 3.810 273 HD1 TYR 31 HD1 TYR 31 9.612 -2.612 0.879 274 HD2 TYR 31 HD2 TYR 31 11.985 -1.679 4.281 275 HE1 TYR 31 HE1 TYR 31 11.654 -2.911 -0.465 276 HE2 TYR 31 HE2 TYR 31 14.031 -1.962 2.946 277 HH TYR 31 HH TYR 31 14.017 -2.143 -0.421 278 H SER 32 HN SER 32 8.030 -4.619 5.970 279 HA SER 32 HA SER 32 5.593 -3.246 6.252 280 1HB SER 32 HB2 SER 32 4.959 -4.995 7.822 281 2HB SER 32 HB1 SER 32 5.812 -5.714 6.455 282 HG SER 32 HG SER 32 6.570 -5.491 9.115 283 H ASP 33 HN ASP 33 8.343 -3.643 8.417 284 HA ASP 33 HA ASP 33 7.245 -2.307 10.634 285 1HB ASP 33 HB2 ASP 33 9.412 -3.714 10.441 286 2HB ASP 33 HB1 ASP 33 10.173 -2.207 9.950 287 H ALA 34 HN ALA 34 8.993 -1.138 7.815 288 HA ALA 34 HA ALA 34 9.189 1.566 8.755 289 1HB ALA 34 HB1 ALA 34 10.315 2.035 6.778 290 2HB ALA 34 HB2 ALA 34 9.516 0.729 5.906 291 3HB ALA 34 HB3 ALA 34 10.742 0.358 7.120 292 H LEU 35 HN LEU 35 6.862 -0.241 6.929 293 HA LEU 35 HA LEU 35 5.515 2.242 6.144 294 1HB LEU 35 HB2 LEU 35 5.531 -0.541 5.090 295 2HB LEU 35 HB1 LEU 35 4.095 0.430 4.845 296 HG LEU 35 HG LEU 35 5.036 1.634 3.207 297 1HD1 LEU 35 HD11 LEU 35 7.332 2.497 3.191 298 2HD1 LEU 35 HD12 LEU 35 7.666 1.641 4.693 299 3HD1 LEU 35 HD13 LEU 35 6.464 2.929 4.661 300 1HD2 LEU 35 HD21 LEU 35 5.534 -0.506 2.363 301 2HD2 LEU 35 HD22 LEU 35 6.940 -0.692 3.414 302 3HD2 LEU 35 HD23 LEU 35 6.978 0.465 2.079 303 H SER 36 HN SER 36 5.342 -0.191 8.483 304 HA SER 36 HA SER 36 2.542 -0.474 8.749 305 1HB SER 36 HB2 SER 36 4.059 -2.067 9.815 306 2HB SER 36 HB1 SER 36 4.723 -0.790 10.834 307 HG SER 36 HG SER 36 2.344 -2.180 11.055 308 H GLY 37 HN GLY 37 4.894 1.646 10.364 309 1HA GLY 37 HA2 GLY 37 3.200 2.940 12.140 310 2HA GLY 37 HA1 GLY 37 4.624 3.672 11.414 311 H THR 38 HN THR 38 3.208 3.066 8.738 312 HA THR 38 HA THR 38 1.529 5.475 8.762 313 HB THR 38 HB THR 38 2.962 4.286 6.377 314 HG1 THR 38 HG1 THR 38 3.983 6.631 7.070 315 1HG2 THR 38 HG21 THR 38 0.842 5.881 6.280 316 2HG2 THR 38 HG22 THR 38 2.188 6.054 5.151 317 3HG2 THR 38 HG23 THR 38 2.071 7.117 6.553 318 HA PRO 39 HA PRO 39 -1.851 2.632 7.887 319 1HB PRO 39 HB2 PRO 39 -3.714 4.491 7.250 320 2HB PRO 39 HB1 PRO 39 -3.216 4.183 8.917 321 1HG PRO 39 HG2 PRO 39 -2.219 6.278 7.022 322 2HG PRO 39 HG1 PRO 39 -2.792 6.491 8.685 323 1HD PRO 39 HD2 PRO 39 -0.189 6.367 8.187 324 2HD PRO 39 HD1 PRO 39 -0.863 5.502 9.589 325 H TRP 40 HN TRP 40 -3.590 2.528 6.016 326 HA TRP 40 HA TRP 40 -2.109 2.421 3.579 327 1HB TRP 40 HB2 TRP 40 -4.106 1.573 2.541 328 2HB TRP 40 HB1 TRP 40 -3.935 0.813 4.110 329 HD1 TRP 40 HD1 TRP 40 -5.662 1.711 6.071 330 HE1 TRP 40 HE1 TRP 40 -8.058 2.625 5.844 331 HE3 TRP 40 HE3 TRP 40 -5.630 2.894 1.087 332 HZ2 TRP 40 HZ2 TRP 40 -9.705 3.715 3.840 333 HZ3 TRP 40 HZ3 TRP 40 -7.658 3.875 0.102 334 HH2 TRP 40 HH2 TRP 40 -9.653 4.274 1.449 335 H ILE 41 HN ILE 41 -4.823 4.404 4.728 336 HA ILE 41 HA ILE 41 -5.281 5.931 2.495 337 HB ILE 41 HB ILE 41 -6.448 5.975 4.808 338 1HG1 ILE 41 HG12 ILE 41 -6.605 8.720 4.119 339 2HG1 ILE 41 HG11 ILE 41 -6.327 7.829 2.620 340 1HG2 ILE 41 HG21 ILE 41 -4.637 8.340 5.224 341 2HG2 ILE 41 HG22 ILE 41 -4.351 6.769 5.972 342 3HG2 ILE 41 HG23 ILE 41 -5.824 7.666 6.341 343 1HD1 ILE 41 HD11 ILE 41 -8.467 7.081 4.593 344 2HD1 ILE 41 HD12 ILE 41 -8.279 6.538 2.924 345 3HD1 ILE 41 HD13 ILE 41 -8.729 8.210 3.263 346 H GLU 42 HN GLU 42 -2.581 6.030 4.671 347 HA GLU 42 HA GLU 42 -1.605 8.519 3.475 348 1HB GLU 42 HB2 GLU 42 -0.685 6.893 5.845 349 2HB GLU 42 HB1 GLU 42 0.242 8.241 5.201 350 1HG GLU 42 HG2 GLU 42 -2.577 8.416 6.243 351 2HG GLU 42 HG1 GLU 42 -1.127 8.860 7.142 352 H LEU 43 HN LEU 43 -0.910 5.111 3.799 353 HA LEU 43 HA LEU 43 1.594 4.943 2.599 354 1HB LEU 43 HB2 LEU 43 -0.481 3.189 3.387 355 2HB LEU 43 HB1 LEU 43 -0.037 2.754 1.755 356 HG LEU 43 HG LEU 43 1.181 1.420 3.412 357 1HD1 LEU 43 HD11 LEU 43 3.457 1.855 2.578 358 2HD1 LEU 43 HD12 LEU 43 2.879 3.366 1.879 359 3HD1 LEU 43 HD13 LEU 43 2.250 1.827 1.294 360 1HD2 LEU 43 HD21 LEU 43 2.303 2.258 5.164 361 2HD2 LEU 43 HD22 LEU 43 1.255 3.656 4.923 362 3HD2 LEU 43 HD23 LEU 43 2.887 3.653 4.258 363 H ILE 44 HN ILE 44 -1.546 4.305 1.139 364 HA ILE 44 HA ILE 44 -0.853 4.221 -1.517 365 HB ILE 44 HB ILE 44 -3.183 4.662 -2.008 366 1HG1 ILE 44 HG12 ILE 44 -3.615 5.338 0.897 367 2HG1 ILE 44 HG11 ILE 44 -3.287 6.582 -0.290 368 1HG2 ILE 44 HG21 ILE 44 -4.196 3.070 -0.249 369 2HG2 ILE 44 HG22 ILE 44 -2.554 2.970 0.387 370 3HG2 ILE 44 HG23 ILE 44 -2.891 2.477 -1.274 371 1HD1 ILE 44 HD11 ILE 44 -5.718 6.056 0.353 372 2HD1 ILE 44 HD12 ILE 44 -5.528 4.656 -0.699 373 3HD1 ILE 44 HD13 ILE 44 -5.318 6.278 -1.346 374 H TYR 45 HN TYR 45 -0.823 6.917 0.562 375 HA TYR 45 HA TYR 45 -0.995 8.804 -1.679 376 1HB TYR 45 HB2 TYR 45 -1.377 9.049 1.269 377 2HB TYR 45 HB1 TYR 45 -0.848 10.467 0.373 378 HD1 TYR 45 HD1 TYR 45 -3.059 8.079 -1.315 379 HD2 TYR 45 HD2 TYR 45 -2.906 11.618 1.054 380 HE1 TYR 45 HE1 TYR 45 -5.408 8.563 -1.890 381 HE2 TYR 45 HE2 TYR 45 -5.243 12.111 0.474 382 HH TYR 45 HH TYR 45 -7.293 9.840 -1.009 383 H LEU 46 HN LEU 46 1.309 7.239 0.288 384 HA LEU 46 HA LEU 46 3.321 9.196 0.446 385 1HB LEU 46 HB2 LEU 46 3.738 6.225 0.127 386 2HB LEU 46 HB1 LEU 46 4.888 7.372 0.759 387 HG LEU 46 HG LEU 46 2.354 6.446 2.087 388 1HD1 LEU 46 HD11 LEU 46 3.971 5.695 3.820 389 2HD1 LEU 46 HD12 LEU 46 5.290 6.152 2.731 390 3HD1 LEU 46 HD13 LEU 46 4.157 4.872 2.271 391 1HD2 LEU 46 HD21 LEU 46 3.038 8.961 2.336 392 2HD2 LEU 46 HD22 LEU 46 4.295 8.302 3.384 393 3HD2 LEU 46 HD23 LEU 46 2.597 8.014 3.757 394 H ASP 47 HN ASP 47 5.556 8.149 -0.689 395 HA ASP 47 HA ASP 47 5.119 7.758 -3.531 396 1HB ASP 47 HB2 ASP 47 6.640 10.172 -2.513 397 2HB ASP 47 HB1 ASP 47 6.517 9.673 -4.197 398 H ASP 48 HN ASP 48 7.333 7.545 -4.647 399 HA ASP 48 HA ASP 48 8.805 5.521 -3.568 400 1HB ASP 48 HB2 ASP 48 10.625 6.363 -5.126 401 2HB ASP 48 HB1 ASP 48 9.077 6.027 -5.872 402 H GLU 49 HN GLU 49 9.491 8.988 -3.471 403 HA GLU 49 HA GLU 49 11.841 8.970 -2.014 404 1HB GLU 49 HB2 GLU 49 10.953 11.010 -3.002 405 2HB GLU 49 HB1 GLU 49 9.597 10.986 -1.883 406 1HG GLU 49 HG2 GLU 49 11.184 11.263 -0.001 407 2HG GLU 49 HG1 GLU 49 12.498 11.375 -1.177 408 H THR 50 HN THR 50 8.564 9.462 -0.642 409 HA THR 50 HA THR 50 9.243 9.452 2.024 410 HB THR 50 HB THR 50 6.742 8.139 0.955 411 HG1 THR 50 HG1 THR 50 7.211 10.319 0.091 412 1HG2 THR 50 HG21 THR 50 7.018 7.837 3.343 413 2HG2 THR 50 HG22 THR 50 5.785 9.084 3.061 414 3HG2 THR 50 HG23 THR 50 7.414 9.555 3.535 415 H LEU 51 HN LEU 51 8.339 6.670 0.019 416 HA LEU 51 HA LEU 51 8.470 4.644 1.875 417 1HB LEU 51 HB2 LEU 51 9.184 4.738 -1.044 418 2HB LEU 51 HB1 LEU 51 9.249 3.243 -0.131 419 HG LEU 51 HG LEU 51 6.763 4.934 -0.348 420 1HD1 LEU 51 HD11 LEU 51 5.977 3.380 -2.022 421 2HD1 LEU 51 HD12 LEU 51 7.496 2.487 -1.943 422 3HD1 LEU 51 HD13 LEU 51 7.475 4.138 -2.564 423 1HD2 LEU 51 HD21 LEU 51 5.683 2.803 0.347 424 2HD2 LEU 51 HD22 LEU 51 6.748 3.496 1.570 425 3HD2 LEU 51 HD23 LEU 51 7.290 2.124 0.604 426 H GLU 52 HN GLU 52 11.113 6.221 0.143 427 HA GLU 52 HA GLU 52 13.181 4.523 1.100 428 1HB GLU 52 HB2 GLU 52 13.201 6.271 -0.827 429 2HB GLU 52 HB1 GLU 52 13.560 7.437 0.444 430 1HG GLU 52 HG2 GLU 52 15.549 6.143 1.054 431 2HG GLU 52 HG1 GLU 52 15.204 5.009 -0.250 432 H LYS 53 HN LYS 53 11.733 7.513 2.145 433 HA LYS 53 HA LYS 53 13.412 8.109 4.311 434 1HB LYS 53 HB2 LYS 53 10.477 8.773 4.124 435 2HB LYS 53 HB1 LYS 53 11.726 9.655 4.996 436 1HG LYS 53 HG2 LYS 53 11.877 9.287 2.035 437 2HG LYS 53 HG1 LYS 53 10.920 10.587 2.745 438 1HD LYS 53 HD2 LYS 53 13.820 10.137 3.413 439 2HD LYS 53 HD1 LYS 53 13.298 11.164 2.074 440 1HE LYS 53 HE2 LYS 53 11.932 11.670 4.601 441 2HE LYS 53 HE1 LYS 53 13.664 12.002 4.644 442 1HZ LYS 53 HZ1 LYS 53 13.389 13.438 2.714 443 2HZ LYS 53 HZ2 LYS 53 12.406 13.957 3.989 444 3HZ LYS 53 HZ3 LYS 53 11.726 13.120 2.686 445 H LYS 54 HN LYS 54 10.719 5.895 4.000 446 HA LYS 54 HA LYS 54 10.407 5.440 6.829 447 1HB LYS 54 HB2 LYS 54 9.518 3.312 4.995 448 2HB LYS 54 HB1 LYS 54 8.618 4.142 6.250 449 1HG LYS 54 HG2 LYS 54 9.227 5.305 3.547 450 2HG LYS 54 HG1 LYS 54 7.733 4.468 3.938 451 1HD LYS 54 HD2 LYS 54 8.542 6.732 5.665 452 2HD LYS 54 HD1 LYS 54 7.953 7.080 4.063 453 1HE LYS 54 HE2 LYS 54 6.092 5.316 4.827 454 2HE LYS 54 HE1 LYS 54 6.548 5.972 6.382 455 1HZ LYS 54 HZ1 LYS 54 5.432 7.439 4.094 456 2HZ LYS 54 HZ2 LYS 54 6.164 8.223 5.400 457 3HZ LYS 54 HZ3 LYS 54 4.782 7.280 5.646 458 H GLY 55 HN GLY 55 11.559 3.496 4.114 459 1HA GLY 55 HA2 GLY 55 13.929 2.592 5.210 460 2HA GLY 55 HA1 GLY 55 12.697 1.427 5.686 461 H VAL 56 HN VAL 56 11.292 2.260 3.077 462 HA VAL 56 HA VAL 56 12.262 0.128 1.464 463 HB VAL 56 HB VAL 56 10.517 2.343 0.429 464 1HG1 VAL 56 HG11 VAL 56 9.952 -0.514 -0.057 465 2HG1 VAL 56 HG12 VAL 56 11.394 0.153 -0.810 466 3HG1 VAL 56 HG13 VAL 56 9.819 0.869 -1.138 467 1HG2 VAL 56 HG21 VAL 56 8.624 0.754 1.343 468 2HG2 VAL 56 HG22 VAL 56 9.311 2.024 2.355 469 3HG2 VAL 56 HG23 VAL 56 9.854 0.357 2.541 470 H LEU 57 HN LEU 57 14.473 0.709 1.247 471 HA LEU 57 HA LEU 57 15.216 3.146 -0.103 472 1HB LEU 57 HB2 LEU 57 16.652 0.814 1.075 473 2HB LEU 57 HB1 LEU 57 17.509 1.860 -0.041 474 HG LEU 57 HG LEU 57 17.658 3.574 1.458 475 1HD1 LEU 57 HD11 LEU 57 15.999 3.879 3.350 476 2HD1 LEU 57 HD12 LEU 57 15.019 2.647 2.555 477 3HD1 LEU 57 HD13 LEU 57 15.390 4.152 1.719 478 1HD2 LEU 57 HD21 LEU 57 18.554 1.430 2.480 479 2HD2 LEU 57 HD22 LEU 57 17.102 1.429 3.484 480 3HD2 LEU 57 HD23 LEU 57 18.244 2.769 3.586 481 H ALA 58 HN ALA 58 14.601 -0.152 -0.984 482 HA ALA 58 HA ALA 58 16.067 -0.330 -3.368 483 1HB ALA 58 HB1 ALA 58 15.001 -2.301 -3.693 484 2HB ALA 58 HB2 ALA 58 13.425 -1.637 -3.257 485 3HB ALA 58 HB3 ALA 58 14.583 -2.067 -1.993 486 H LEU 59 HN LEU 59 15.972 1.079 -4.976 487 HA LEU 59 HA LEU 59 13.892 2.777 -5.619 488 1HB LEU 59 HB2 LEU 59 16.238 1.675 -7.060 489 2HB LEU 59 HB1 LEU 59 14.959 2.325 -8.067 490 HG LEU 59 HG LEU 59 16.703 3.985 -7.634 491 1HD1 LEU 59 HD11 LEU 59 15.208 5.776 -6.780 492 2HD1 LEU 59 HD12 LEU 59 14.032 4.525 -6.366 493 3HD1 LEU 59 HD13 LEU 59 14.484 4.788 -8.051 494 1HD2 LEU 59 HD21 LEU 59 17.091 4.873 -5.433 495 2HD2 LEU 59 HD22 LEU 59 17.356 3.131 -5.401 496 3HD2 LEU 59 HD23 LEU 59 15.867 3.806 -4.743 497 H GLY 60 HN GLY 60 14.395 -0.575 -6.277 498 1HA GLY 60 HA2 GLY 60 12.343 -0.837 -8.236 499 2HA GLY 60 HA1 GLY 60 13.159 -2.147 -7.408 500 H ALA 61 HN ALA 61 12.556 -1.561 -4.773 501 HA ALA 61 HA ALA 61 9.948 -2.660 -4.573 502 1HB ALA 61 HB1 ALA 61 10.434 -3.051 -2.406 503 2HB ALA 61 HB2 ALA 61 11.199 -1.481 -2.168 504 3HB ALA 61 HB3 ALA 61 12.073 -2.775 -2.992 505 H ARG 62 HN ARG 62 11.209 0.577 -3.677 506 HA ARG 62 HA ARG 62 8.708 1.455 -2.711 507 1HB ARG 62 HB2 ARG 62 9.689 3.674 -2.627 508 2HB ARG 62 HB1 ARG 62 10.772 2.477 -1.967 509 1HG ARG 62 HG2 ARG 62 11.981 2.500 -4.167 510 2HG ARG 62 HG1 ARG 62 10.998 3.907 -4.589 511 1HD ARG 62 HD2 ARG 62 11.811 5.032 -2.538 512 2HD ARG 62 HD1 ARG 62 12.859 3.654 -2.229 513 HE ARG 62 HE ARG 62 13.874 4.258 -4.481 514 1HH1 ARG 62 HH11 ARG 62 12.406 6.600 -2.360 515 2HH1 ARG 62 HH12 ARG 62 13.420 7.903 -2.881 516 1HH2 ARG 62 HH21 ARG 62 15.235 5.976 -5.153 517 2HH2 ARG 62 HH22 ARG 62 15.023 7.549 -4.464 518 H ARG 63 HN ARG 63 10.426 2.431 -5.668 519 HA ARG 63 HA ARG 63 8.418 3.939 -6.793 520 1HB ARG 63 HB2 ARG 63 10.420 2.135 -8.150 521 2HB ARG 63 HB1 ARG 63 9.378 3.247 -9.023 522 1HG ARG 63 HG2 ARG 63 10.373 5.129 -7.840 523 2HG ARG 63 HG1 ARG 63 11.406 4.020 -6.933 524 1HD ARG 63 HD2 ARG 63 12.595 5.055 -8.814 525 2HD ARG 63 HD1 ARG 63 12.481 3.303 -8.988 526 HE ARG 63 HE ARG 63 10.428 3.974 -10.446 527 1HH1 ARG 63 HH11 ARG 63 13.495 5.614 -10.249 528 2HH1 ARG 63 HH12 ARG 63 13.430 6.205 -11.876 529 1HH2 ARG 63 HH21 ARG 63 10.334 4.744 -12.590 530 2HH2 ARG 63 HH22 ARG 63 11.633 5.709 -13.208 531 H LYS 64 HN LYS 64 8.587 0.516 -6.338 532 HA LYS 64 HA LYS 64 6.561 -0.176 -8.257 533 1HB LYS 64 HB2 LYS 64 8.211 -1.565 -6.249 534 2HB LYS 64 HB1 LYS 64 6.619 -2.266 -6.512 535 1HG LYS 64 HG2 LYS 64 7.076 -2.490 -8.886 536 2HG LYS 64 HG1 LYS 64 8.650 -1.724 -8.670 537 1HD LYS 64 HD2 LYS 64 9.001 -4.084 -8.776 538 2HD LYS 64 HD1 LYS 64 9.243 -3.584 -7.100 539 1HE LYS 64 HE2 LYS 64 6.976 -4.328 -6.555 540 2HE LYS 64 HE1 LYS 64 6.734 -4.823 -8.230 541 1HZ LYS 64 HZ1 LYS 64 8.553 -6.409 -7.970 542 2HZ LYS 64 HZ2 LYS 64 7.316 -6.707 -6.855 543 3HZ LYS 64 HZ3 LYS 64 8.741 -5.950 -6.352 544 H LEU 65 HN LEU 65 6.682 0.308 -4.752 545 HA LEU 65 HA LEU 65 4.090 -0.436 -4.112 546 1HB LEU 65 HB2 LEU 65 6.141 1.315 -2.921 547 2HB LEU 65 HB1 LEU 65 4.495 1.595 -2.384 548 HG LEU 65 HG LEU 65 5.276 -1.225 -2.381 549 1HD1 LEU 65 HD11 LEU 65 6.710 0.770 -0.650 550 2HD1 LEU 65 HD12 LEU 65 7.410 -0.420 -1.747 551 3HD1 LEU 65 HD13 LEU 65 6.598 -0.949 -0.275 552 1HD2 LEU 65 HD21 LEU 65 4.229 -1.106 -0.156 553 2HD2 LEU 65 HD22 LEU 65 3.192 -0.456 -1.424 554 3HD2 LEU 65 HD23 LEU 65 4.059 0.638 -0.348 555 H LEU 66 HN LEU 66 5.302 2.419 -5.663 556 HA LEU 66 HA LEU 66 3.143 4.154 -5.276 557 1HB LEU 66 HB2 LEU 66 5.292 3.902 -7.329 558 2HB LEU 66 HB1 LEU 66 3.961 5.001 -7.636 559 HG LEU 66 HG LEU 66 5.328 5.228 -5.008 560 1HD1 LEU 66 HD11 LEU 66 6.616 5.746 -7.637 561 2HD1 LEU 66 HD12 LEU 66 7.324 5.195 -6.115 562 3HD1 LEU 66 HD13 LEU 66 6.887 6.892 -6.324 563 1HD2 LEU 66 HD21 LEU 66 4.902 7.613 -5.424 564 2HD2 LEU 66 HD22 LEU 66 3.431 6.646 -5.530 565 3HD2 LEU 66 HD23 LEU 66 4.227 7.206 -7.001 566 H LYS 67 HN LYS 67 3.479 1.345 -7.249 567 HA LYS 67 HA LYS 67 1.304 1.981 -9.021 568 1HB LYS 67 HB2 LYS 67 3.377 0.345 -9.314 569 2HB LYS 67 HB1 LYS 67 2.270 -0.811 -8.591 570 1HG LYS 67 HG2 LYS 67 1.497 0.834 -10.979 571 2HG LYS 67 HG1 LYS 67 2.379 -0.685 -11.139 572 1HD LYS 67 HD2 LYS 67 -0.152 -0.549 -9.544 573 2HD LYS 67 HD1 LYS 67 -0.202 -0.702 -11.299 574 1HE LYS 67 HE2 LYS 67 1.297 -2.558 -9.469 575 2HE LYS 67 HE1 LYS 67 -0.320 -2.872 -10.094 576 1HZ LYS 67 HZ1 LYS 67 0.569 -2.820 -12.333 577 2HZ LYS 67 HZ2 LYS 67 1.385 -3.976 -11.407 578 3HZ LYS 67 HZ3 LYS 67 2.121 -2.492 -11.744 579 H ALA 68 HN ALA 68 1.872 0.174 -6.080 580 HA ALA 68 HA ALA 68 -0.736 -0.981 -5.911 581 1HB ALA 68 HB1 ALA 68 -0.071 -1.521 -3.581 582 2HB ALA 68 HB2 ALA 68 1.414 -0.596 -3.821 583 3HB ALA 68 HB3 ALA 68 1.110 -2.045 -4.780 584 H PHE 69 HN PHE 69 0.704 2.034 -5.005 585 HA PHE 69 HA PHE 69 -1.151 2.876 -3.050 586 1HB PHE 69 HB2 PHE 69 0.669 4.403 -4.917 587 2HB PHE 69 HB1 PHE 69 -0.309 5.174 -3.685 588 HD1 PHE 69 HD1 PHE 69 0.452 2.333 -2.035 589 HD2 PHE 69 HD2 PHE 69 2.436 5.747 -3.628 590 HE1 PHE 69 HE1 PHE 69 2.268 2.041 -0.406 591 HE2 PHE 69 HE2 PHE 69 4.254 5.454 -1.998 592 HZ PHE 69 HZ PHE 69 4.168 3.600 -0.377 593 H GLY 70 HN GLY 70 -1.008 3.294 -6.568 594 1HA GLY 70 HA2 GLY 70 -3.225 5.073 -6.705 595 2HA GLY 70 HA1 GLY 70 -2.497 4.229 -8.058 596 H ILE 71 HN ILE 71 -2.950 1.591 -7.369 597 HA ILE 71 HA ILE 71 -5.543 1.174 -8.267 598 HB ILE 71 HB ILE 71 -3.928 -0.732 -6.570 599 1HG1 ILE 71 HG12 ILE 71 -4.012 -0.799 -9.561 600 2HG1 ILE 71 HG11 ILE 71 -2.937 0.344 -8.764 601 1HG2 ILE 71 HG21 ILE 71 -6.011 -1.346 -8.657 602 2HG2 ILE 71 HG22 ILE 71 -6.356 -1.256 -6.931 603 3HG2 ILE 71 HG23 ILE 71 -5.235 -2.473 -7.542 604 1HD1 ILE 71 HD11 ILE 71 -2.927 -2.606 -8.209 605 2HD1 ILE 71 HD12 ILE 71 -1.740 -1.402 -7.702 606 3HD1 ILE 71 HD13 ILE 71 -1.897 -1.824 -9.408 607 H VAL 72 HN VAL 72 -4.296 1.460 -4.994 608 HA VAL 72 HA VAL 72 -6.725 0.669 -3.696 609 HB VAL 72 HB VAL 72 -4.470 2.341 -2.576 610 1HG1 VAL 72 HG11 VAL 72 -5.288 1.765 -0.416 611 2HG1 VAL 72 HG12 VAL 72 -6.461 0.642 -1.085 612 3HG1 VAL 72 HG13 VAL 72 -6.656 2.372 -1.344 613 1HG2 VAL 72 HG21 VAL 72 -3.940 -0.004 -3.532 614 2HG2 VAL 72 HG22 VAL 72 -4.790 -0.596 -2.107 615 3HG2 VAL 72 HG23 VAL 72 -3.361 0.416 -1.921 616 H ILE 73 HN ILE 73 -5.166 3.757 -4.414 617 HA ILE 73 HA ILE 73 -6.966 5.499 -3.236 618 HB ILE 73 HB ILE 73 -5.145 5.757 -5.609 619 1HG1 ILE 73 HG12 ILE 73 -5.183 7.149 -2.926 620 2HG1 ILE 73 HG11 ILE 73 -4.250 5.700 -3.278 621 1HG2 ILE 73 HG21 ILE 73 -5.807 8.332 -5.090 622 2HG2 ILE 73 HG22 ILE 73 -7.354 7.521 -4.850 623 3HG2 ILE 73 HG23 ILE 73 -6.510 7.364 -6.388 624 1HD1 ILE 73 HD11 ILE 73 -3.887 8.135 -4.958 625 2HD1 ILE 73 HD12 ILE 73 -2.758 6.828 -4.606 626 3HD1 ILE 73 HD13 ILE 73 -3.124 8.030 -3.372 627 H ASP 74 HN ASP 74 -7.079 3.997 -6.402 628 HA ASP 74 HA ASP 74 -9.285 5.404 -7.439 629 1HB ASP 74 HB2 ASP 74 -7.790 4.115 -8.880 630 2HB ASP 74 HB1 ASP 74 -8.294 2.618 -8.100 631 H TYR 75 HN TYR 75 -9.233 2.035 -6.163 632 HA TYR 75 HA TYR 75 -12.010 1.732 -6.078 633 1HB TYR 75 HB2 TYR 75 -9.714 0.392 -4.733 634 2HB TYR 75 HB1 TYR 75 -11.306 0.146 -4.024 635 HD1 TYR 75 HD1 TYR 75 -11.464 0.691 -7.540 636 HD2 TYR 75 HD2 TYR 75 -10.743 -2.306 -4.621 637 HE1 TYR 75 HE1 TYR 75 -11.942 -1.036 -9.214 638 HE2 TYR 75 HE2 TYR 75 -11.210 -4.050 -6.288 639 HH TYR 75 HH TYR 75 -11.402 -3.418 -9.605 640 H LYS 76 HN LYS 76 -9.777 3.281 -3.958 641 HA LYS 76 HA LYS 76 -11.477 3.723 -1.741 642 1HB LYS 76 HB2 LYS 76 -9.080 3.970 -1.537 643 2HB LYS 76 HB1 LYS 76 -9.050 5.168 -2.813 644 1HG LYS 76 HG2 LYS 76 -10.770 6.252 -0.936 645 2HG LYS 76 HG1 LYS 76 -9.480 5.510 0.016 646 1HD LYS 76 HD2 LYS 76 -8.101 6.712 -2.029 647 2HD LYS 76 HD1 LYS 76 -9.408 7.855 -1.721 648 1HE LYS 76 HE2 LYS 76 -7.590 6.730 0.403 649 2HE LYS 76 HE1 LYS 76 -7.341 8.281 -0.400 650 1HZ LYS 76 HZ1 LYS 76 -9.587 8.930 0.400 651 2HZ LYS 76 HZ2 LYS 76 -8.460 8.689 1.637 652 3HZ LYS 76 HZ3 LYS 76 -9.631 7.510 1.320 653 H GLU 77 HN GLU 77 -10.735 5.460 -4.685 654 HA GLU 77 HA GLU 77 -12.346 7.749 -4.144 655 1HB GLU 77 HB2 GLU 77 -10.780 6.686 -6.452 656 2HB GLU 77 HB1 GLU 77 -11.949 7.956 -6.754 657 1HG GLU 77 HG2 GLU 77 -10.399 8.687 -4.488 658 2HG GLU 77 HG1 GLU 77 -9.309 8.173 -5.773 659 H ARG 78 HN ARG 78 -12.926 4.608 -5.430 660 HA ARG 78 HA ARG 78 -15.432 5.420 -6.699 661 1HB ARG 78 HB2 ARG 78 -13.913 2.816 -6.656 662 2HB ARG 78 HB1 ARG 78 -15.502 2.993 -7.379 663 1HG ARG 78 HG2 ARG 78 -14.629 4.619 -8.957 664 2HG ARG 78 HG1 ARG 78 -13.037 4.513 -8.203 665 1HD ARG 78 HD2 ARG 78 -13.074 3.164 -10.205 666 2HD ARG 78 HD1 ARG 78 -12.953 2.118 -8.790 667 HE ARG 78 HE ARG 78 -15.657 2.397 -9.464 668 1HH1 ARG 78 HH11 ARG 78 -12.736 0.976 -10.727 669 2HH1 ARG 78 HH12 ARG 78 -13.564 -0.288 -11.574 670 1HH2 ARG 78 HH21 ARG 78 -16.754 0.733 -10.576 671 2HH2 ARG 78 HH22 ARG 78 -15.846 -0.425 -11.488 672 H ASP 79 HN ASP 79 -14.830 5.216 -3.719 673 HA ASP 79 HA ASP 79 -15.796 4.504 -1.797 674 1HB ASP 79 HB2 ASP 79 -18.321 4.154 -3.380 675 2HB ASP 79 HB1 ASP 79 -18.110 4.751 -1.741 676 H LEU 80 HN LEU 80 -14.607 2.462 -3.501 677 HA LEU 80 HA LEU 80 -16.309 0.138 -3.246 678 1HB LEU 80 HB2 LEU 80 -13.955 0.851 -4.747 679 2HB LEU 80 HB1 LEU 80 -13.707 -0.678 -3.931 680 HG LEU 80 HG LEU 80 -16.141 -1.138 -4.964 681 1HD1 LEU 80 HD11 LEU 80 -16.337 -0.200 -7.163 682 2HD1 LEU 80 HD12 LEU 80 -14.798 0.643 -6.981 683 3HD1 LEU 80 HD13 LEU 80 -16.185 1.119 -6.000 684 1HD2 LEU 80 HD21 LEU 80 -14.098 -2.492 -5.232 685 2HD2 LEU 80 HD22 LEU 80 -13.575 -1.388 -6.504 686 3HD2 LEU 80 HD23 LEU 80 -15.030 -2.358 -6.724 687 H ILE 81 HN ILE 81 -13.320 1.387 -1.822 688 HA ILE 81 HA ILE 81 -12.922 -0.817 -0.055 689 HB ILE 81 HB ILE 81 -11.869 2.013 0.089 690 1HG1 ILE 81 HG12 ILE 81 -10.562 -0.534 -0.892 691 2HG1 ILE 81 HG11 ILE 81 -11.199 0.739 -1.928 692 1HG2 ILE 81 HG21 ILE 81 -10.897 -0.441 1.554 693 2HG2 ILE 81 HG22 ILE 81 -11.862 0.844 2.280 694 3HG2 ILE 81 HG23 ILE 81 -10.240 1.191 1.676 695 1HD1 ILE 81 HD11 ILE 81 -8.921 1.005 0.020 696 2HD1 ILE 81 HD12 ILE 81 -9.568 2.302 -0.984 697 3HD1 ILE 81 HD13 ILE 81 -8.795 0.906 -1.736 698 H ASP 82 HN ASP 82 -13.646 -1.140 1.984 699 HA ASP 82 HA ASP 82 -15.986 0.122 2.858 700 1HB ASP 82 HB2 ASP 82 -14.914 -2.179 3.516 701 2HB ASP 82 HB1 ASP 82 -14.141 -1.237 4.787 702 H ARG 83 HN ARG 83 -16.377 1.847 4.116 703 HA ARG 83 HA ARG 83 -14.383 3.767 4.559 704 1HB ARG 83 HB2 ARG 83 -17.170 3.470 5.666 705 2HB ARG 83 HB1 ARG 83 -16.142 4.844 6.055 706 1HG ARG 83 HG2 ARG 83 -16.929 4.043 3.260 707 2HG ARG 83 HG1 ARG 83 -17.740 5.285 4.217 708 1HD ARG 83 HD2 ARG 83 -15.911 6.718 4.136 709 2HD ARG 83 HD1 ARG 83 -14.784 5.418 3.756 710 HE ARG 83 HE ARG 83 -15.220 5.754 1.540 711 1HH1 ARG 83 HH11 ARG 83 -17.784 7.194 3.413 712 2HH1 ARG 83 HH12 ARG 83 -18.557 7.914 2.040 713 1HH2 ARG 83 HH21 ARG 83 -16.232 6.700 -0.272 714 2HH2 ARG 83 HH22 ARG 83 -17.675 7.632 -0.054 715 H SER 84 HN SER 84 -15.093 0.939 6.233 716 HA SER 84 HA SER 84 -14.452 1.674 8.880 717 1HB SER 84 HB2 SER 84 -14.143 -0.985 7.459 718 2HB SER 84 HB1 SER 84 -13.972 -0.757 9.199 719 HG SER 84 HG SER 84 -16.183 0.170 9.039 720 H ALA 85 HN ALA 85 -12.519 0.700 6.105 721 HA ALA 85 HA ALA 85 -10.036 0.459 7.441 722 1HB ALA 85 HB1 ALA 85 -9.066 0.804 5.148 723 2HB ALA 85 HB2 ALA 85 -10.711 1.056 4.560 724 3HB ALA 85 HB3 ALA 85 -10.252 -0.492 5.264 725 H TYR 86 HN TYR 86 -11.643 3.113 5.783 726 HA TYR 86 HA TYR 86 -9.728 5.063 5.744 727 1HB TYR 86 HB2 TYR 86 -12.680 5.285 6.326 728 2HB TYR 86 HB1 TYR 86 -11.649 6.694 6.134 729 HD1 TYR 86 HD1 TYR 86 -12.117 3.480 4.301 730 HD2 TYR 86 HD2 TYR 86 -11.886 7.715 4.087 731 HE1 TYR 86 HE1 TYR 86 -12.452 3.363 1.869 732 HE2 TYR 86 HE2 TYR 86 -12.220 7.616 1.653 733 HH TYR 86 HH TYR 86 -13.239 4.793 0.052 Start of MODEL 18 1 1H SER 1 HT1 SER 1 5.521 -6.984 -14.780 2 2H SER 1 HT2 SER 1 5.140 -8.428 -13.986 3 3H SER 1 HT3 SER 1 5.837 -8.469 -15.527 4 HA SER 1 HA SER 1 7.458 -9.015 -13.836 5 1HB SER 1 HB2 SER 1 7.906 -6.317 -15.141 6 2HB SER 1 HB1 SER 1 9.172 -7.359 -14.494 7 HG SER 1 HG SER 1 7.409 -7.952 -16.639 8 H ASN 2 HN ASN 2 5.322 -7.892 -12.287 9 HA ASN 2 HA ASN 2 6.800 -6.076 -10.499 10 1HB ASN 2 HB2 ASN 2 4.559 -5.431 -9.617 11 2HB ASN 2 HB1 ASN 2 4.770 -5.050 -11.324 12 1HD2 ASN 2 HD21 ASN 2 3.181 -7.111 -9.019 13 2HD2 ASN 2 HD22 ASN 2 1.993 -7.747 -10.101 14 H SER 3 HN SER 3 6.034 -6.306 -8.134 15 HA SER 3 HA SER 3 6.756 -8.847 -7.208 16 1HB SER 3 HB2 SER 3 5.262 -6.644 -5.760 17 2HB SER 3 HB1 SER 3 6.017 -8.034 -4.978 18 HG SER 3 HG SER 3 7.254 -5.968 -5.134 19 H SER 4 HN SER 4 3.560 -7.293 -7.364 20 HA SER 4 HA SER 4 2.173 -9.610 -8.086 21 1HB SER 4 HB2 SER 4 0.892 -9.813 -5.824 22 2HB SER 4 HB1 SER 4 2.455 -10.610 -5.998 23 HG SER 4 HG SER 4 3.016 -8.214 -5.174 24 H MET 5 HN MET 5 1.383 -7.112 -5.666 25 HA MET 5 HA MET 5 -0.222 -5.508 -5.603 26 1HB MET 5 HB2 MET 5 0.672 -5.469 -8.443 27 2HB MET 5 HB1 MET 5 -0.749 -4.529 -8.001 28 1HG MET 5 HG2 MET 5 1.244 -3.163 -7.911 29 2HG MET 5 HG1 MET 5 0.546 -3.352 -6.305 30 1HE MET 5 HE1 MET 5 4.220 -3.169 -5.279 31 2HE MET 5 HE2 MET 5 2.627 -2.411 -5.299 32 3HE MET 5 HE3 MET 5 3.658 -2.331 -6.726 33 H ASN 6 HN ASN 6 -1.949 -6.693 -4.880 34 HA ASN 6 HA ASN 6 -3.778 -7.779 -6.915 35 1HB ASN 6 HB2 ASN 6 -3.482 -8.414 -3.970 36 2HB ASN 6 HB1 ASN 6 -4.791 -9.028 -4.978 37 1HD2 ASN 6 HD21 ASN 6 -3.316 -9.444 -7.328 38 2HD2 ASN 6 HD22 ASN 6 -2.236 -10.766 -7.064 39 HA PRO 7 HA PRO 7 -6.059 -3.955 -5.877 40 1HB PRO 7 HB2 PRO 7 -7.954 -5.247 -7.778 41 2HB PRO 7 HB1 PRO 7 -7.341 -3.590 -7.751 42 1HG PRO 7 HG2 PRO 7 -6.436 -5.328 -9.545 43 2HG PRO 7 HG1 PRO 7 -5.338 -4.170 -8.769 44 1HD PRO 7 HD2 PRO 7 -5.712 -7.087 -8.228 45 2HD PRO 7 HD1 PRO 7 -4.219 -6.127 -8.248 46 H LYS 8 HN LYS 8 -6.809 -7.256 -5.506 47 HA LYS 8 HA LYS 8 -9.387 -6.882 -4.293 48 1HB LYS 8 HB2 LYS 8 -7.518 -9.232 -4.556 49 2HB LYS 8 HB1 LYS 8 -8.993 -9.326 -3.601 50 1HG LYS 8 HG2 LYS 8 -9.784 -10.131 -5.565 51 2HG LYS 8 HG1 LYS 8 -10.062 -8.412 -5.848 52 1HD LYS 8 HD2 LYS 8 -7.404 -9.447 -6.618 53 2HD LYS 8 HD1 LYS 8 -8.769 -10.022 -7.578 54 1HE LYS 8 HE2 LYS 8 -9.443 -7.586 -7.807 55 2HE LYS 8 HE1 LYS 8 -7.860 -7.188 -7.141 56 1HZ LYS 8 HZ1 LYS 8 -7.833 -7.158 -9.551 57 2HZ LYS 8 HZ2 LYS 8 -8.346 -8.768 -9.606 58 3HZ LYS 8 HZ3 LYS 8 -6.828 -8.386 -8.965 59 H SER 9 HN SER 9 -6.186 -7.861 -3.099 60 HA SER 9 HA SER 9 -6.976 -7.619 -0.357 61 1HB SER 9 HB2 SER 9 -4.330 -8.108 -1.719 62 2HB SER 9 HB1 SER 9 -4.472 -7.959 0.030 63 HG SER 9 HG SER 9 -4.597 -10.139 -0.674 64 H LEU 10 HN LEU 10 -5.204 -5.634 -2.643 65 HA LEU 10 HA LEU 10 -4.215 -3.741 -0.820 66 1HB LEU 10 HB2 LEU 10 -4.962 -3.334 -3.715 67 2HB LEU 10 HB1 LEU 10 -3.953 -2.268 -2.759 68 HG LEU 10 HG LEU 10 -3.286 -5.082 -3.621 69 1HD1 LEU 10 HD11 LEU 10 -2.080 -2.415 -4.330 70 2HD1 LEU 10 HD12 LEU 10 -3.062 -3.430 -5.386 71 3HD1 LEU 10 HD13 LEU 10 -1.476 -3.987 -4.852 72 1HD2 LEU 10 HD21 LEU 10 -2.395 -3.691 -1.334 73 2HD2 LEU 10 HD22 LEU 10 -1.073 -3.690 -2.499 74 3HD2 LEU 10 HD23 LEU 10 -1.797 -5.213 -1.990 75 H THR 11 HN THR 11 -7.389 -4.408 -1.734 76 HA THR 11 HA THR 11 -8.205 -1.725 -0.804 77 HB THR 11 HB THR 11 -10.001 -1.642 -2.346 78 HG1 THR 11 HG1 THR 11 -10.556 -3.905 -2.217 79 1HG2 THR 11 HG21 THR 11 -7.683 -1.200 -3.250 80 2HG2 THR 11 HG22 THR 11 -8.885 -1.628 -4.459 81 3HG2 THR 11 HG23 THR 11 -7.716 -2.828 -3.918 82 H ASP 12 HN ASP 12 -7.861 -4.427 0.495 83 HA ASP 12 HA ASP 12 -10.599 -4.760 1.518 84 1HB ASP 12 HB2 ASP 12 -9.394 -6.770 0.474 85 2HB ASP 12 HB1 ASP 12 -8.328 -6.718 1.875 86 HA PRO 13 HA PRO 13 -9.012 -2.340 4.947 87 1HB PRO 13 HB2 PRO 13 -11.274 -3.853 6.223 88 2HB PRO 13 HB1 PRO 13 -10.808 -2.156 6.422 89 1HG PRO 13 HG2 PRO 13 -12.812 -2.772 4.824 90 2HG PRO 13 HG1 PRO 13 -11.618 -1.545 4.322 91 1HD PRO 13 HD2 PRO 13 -11.949 -4.380 3.410 92 2HD PRO 13 HD1 PRO 13 -11.414 -2.956 2.499 93 H LYS 14 HN LYS 14 -9.397 -5.812 4.869 94 HA LYS 14 HA LYS 14 -8.384 -6.454 7.406 95 1HB LYS 14 HB2 LYS 14 -9.302 -7.957 5.404 96 2HB LYS 14 HB1 LYS 14 -7.585 -8.135 5.076 97 1HG LYS 14 HG2 LYS 14 -8.982 -8.823 7.655 98 2HG LYS 14 HG1 LYS 14 -8.406 -9.965 6.441 99 1HD LYS 14 HD2 LYS 14 -6.673 -8.071 8.033 100 2HD LYS 14 HD1 LYS 14 -6.871 -9.796 8.353 101 1HE LYS 14 HE2 LYS 14 -5.724 -8.563 5.853 102 2HE LYS 14 HE1 LYS 14 -4.811 -9.373 7.126 103 1HZ LYS 14 HZ1 LYS 14 -5.963 -11.423 6.613 104 2HZ LYS 14 HZ2 LYS 14 -5.208 -10.823 5.223 105 3HZ LYS 14 HZ3 LYS 14 -6.880 -10.652 5.417 106 H LEU 15 HN LEU 15 -6.720 -6.036 4.312 107 HA LEU 15 HA LEU 15 -4.100 -6.177 5.469 108 1HB LEU 15 HB2 LEU 15 -5.093 -5.369 2.743 109 2HB LEU 15 HB1 LEU 15 -3.407 -5.423 3.166 110 HG LEU 15 HG LEU 15 -3.957 -7.407 1.941 111 1HD1 LEU 15 HD11 LEU 15 -3.796 -8.974 4.229 112 2HD1 LEU 15 HD12 LEU 15 -3.066 -7.430 4.682 113 3HD1 LEU 15 HD13 LEU 15 -2.449 -8.325 3.290 114 1HD2 LEU 15 HD21 LEU 15 -5.649 -8.969 2.613 115 2HD2 LEU 15 HD22 LEU 15 -6.391 -7.376 2.459 116 3HD2 LEU 15 HD23 LEU 15 -6.015 -8.025 4.056 117 H LEU 16 HN LEU 16 -6.257 -3.676 4.303 118 HA LEU 16 HA LEU 16 -4.484 -1.512 4.395 119 1HB LEU 16 HB2 LEU 16 -7.464 -1.423 4.879 120 2HB LEU 16 HB1 LEU 16 -6.454 -0.150 4.228 121 HG LEU 16 HG LEU 16 -6.812 -2.777 2.815 122 1HD1 LEU 16 HD11 LEU 16 -8.643 -2.011 1.655 123 2HD1 LEU 16 HD12 LEU 16 -8.305 -0.324 2.021 124 3HD1 LEU 16 HD13 LEU 16 -8.962 -1.377 3.269 125 1HD2 LEU 16 HD21 LEU 16 -5.121 -0.572 2.422 126 2HD2 LEU 16 HD22 LEU 16 -6.354 -0.476 1.165 127 3HD2 LEU 16 HD23 LEU 16 -5.386 -1.939 1.339 128 H LYS 17 HN LYS 17 -6.462 -2.982 6.929 129 HA LYS 17 HA LYS 17 -5.784 -0.926 8.835 130 1HB LYS 17 HB2 LYS 17 -7.117 -3.620 9.199 131 2HB LYS 17 HB1 LYS 17 -6.926 -2.418 10.468 132 1HG LYS 17 HG2 LYS 17 -8.354 -0.894 9.325 133 2HG LYS 17 HG1 LYS 17 -8.404 -1.925 7.900 134 1HD LYS 17 HD2 LYS 17 -9.589 -3.633 9.117 135 2HD LYS 17 HD1 LYS 17 -9.435 -2.719 10.619 136 1HE LYS 17 HE2 LYS 17 -10.814 -0.958 9.733 137 2HE LYS 17 HE1 LYS 17 -10.895 -1.755 8.164 138 1HZ LYS 17 HZ1 LYS 17 -12.898 -2.144 9.455 139 2HZ LYS 17 HZ2 LYS 17 -11.993 -2.824 10.711 140 3HZ LYS 17 HZ3 LYS 17 -12.067 -3.596 9.209 141 H ASN 18 HN ASN 18 -4.546 -3.896 7.681 142 HA ASN 18 HA ASN 18 -2.429 -3.882 9.735 143 1HB ASN 18 HB2 ASN 18 -4.094 -5.971 9.269 144 2HB ASN 18 HB1 ASN 18 -2.862 -6.307 8.066 145 1HD2 ASN 18 HD21 ASN 18 -2.355 -8.206 9.217 146 2HD2 ASN 18 HD22 ASN 18 -1.377 -8.144 10.640 147 H ILE 19 HN ILE 19 -1.734 -2.128 8.121 148 HA ILE 19 HA ILE 19 -0.993 -2.439 5.549 149 HB ILE 19 HB ILE 19 0.594 -1.075 7.706 150 1HG1 ILE 19 HG12 ILE 19 -1.310 0.196 7.573 151 2HG1 ILE 19 HG11 ILE 19 -0.398 0.941 6.276 152 1HG2 ILE 19 HG21 ILE 19 0.908 -0.766 4.725 153 2HG2 ILE 19 HG22 ILE 19 2.000 -1.680 5.768 154 3HG2 ILE 19 HG23 ILE 19 1.828 0.064 5.981 155 1HD1 ILE 19 HD11 ILE 19 -2.624 -1.063 6.042 156 2HD1 ILE 19 HD12 ILE 19 -1.647 -0.521 4.688 157 3HD1 ILE 19 HD13 ILE 19 -2.646 0.630 5.563 158 HA PRO 20 HA PRO 20 3.286 -4.543 6.958 159 1HB PRO 20 HB2 PRO 20 1.852 -6.202 9.007 160 2HB PRO 20 HB1 PRO 20 3.554 -5.706 8.961 161 1HG PRO 20 HG2 PRO 20 1.850 -4.455 10.556 162 2HG PRO 20 HG1 PRO 20 3.075 -3.539 9.663 163 1HD PRO 20 HD2 PRO 20 0.146 -3.754 9.183 164 2HD PRO 20 HD1 PRO 20 1.245 -2.395 8.875 165 H MET 21 HN MET 21 0.145 -6.050 7.404 166 HA MET 21 HA MET 21 0.709 -8.450 5.979 167 1HB MET 21 HB2 MET 21 -1.122 -7.747 7.778 168 2HB MET 21 HB1 MET 21 -2.067 -7.408 6.335 169 1HG MET 21 HG2 MET 21 -2.704 -9.534 6.660 170 2HG MET 21 HG1 MET 21 -1.258 -9.856 5.702 171 1HE MET 21 HE1 MET 21 1.334 -10.851 8.487 172 2HE MET 21 HE2 MET 21 1.079 -9.235 7.831 173 3HE MET 21 HE3 MET 21 1.068 -10.634 6.758 174 H TRP 22 HN TRP 22 -0.884 -5.390 5.220 175 HA TRP 22 HA TRP 22 -1.839 -5.842 2.687 176 1HB TRP 22 HB2 TRP 22 -2.105 -3.768 4.026 177 2HB TRP 22 HB1 TRP 22 -0.433 -3.356 3.700 178 HD1 TRP 22 HD1 TRP 22 -3.806 -3.713 1.860 179 HE1 TRP 22 HE1 TRP 22 -3.737 -2.197 -0.217 180 HE3 TRP 22 HE3 TRP 22 1.068 -2.186 2.142 181 HZ2 TRP 22 HZ2 TRP 22 -1.864 -0.583 -1.572 182 HZ3 TRP 22 HZ3 TRP 22 1.924 -0.665 0.396 183 HH2 TRP 22 HH2 TRP 22 0.486 0.125 -1.412 184 H LEU 23 HN LEU 23 1.432 -5.148 3.740 185 HA LEU 23 HA LEU 23 2.589 -4.999 1.139 186 1HB LEU 23 HB2 LEU 23 3.745 -5.397 3.894 187 2HB LEU 23 HB1 LEU 23 4.717 -5.234 2.451 188 HG LEU 23 HG LEU 23 2.771 -3.126 3.350 189 1HD1 LEU 23 HD11 LEU 23 5.081 -2.015 3.957 190 2HD1 LEU 23 HD12 LEU 23 5.564 -3.696 4.201 191 3HD1 LEU 23 HD13 LEU 23 4.209 -3.019 5.109 192 1HD2 LEU 23 HD21 LEU 23 3.913 -1.709 1.819 193 2HD2 LEU 23 HD22 LEU 23 3.518 -3.197 0.957 194 3HD2 LEU 23 HD23 LEU 23 5.162 -2.920 1.532 195 H LYS 24 HN LYS 24 1.844 -7.563 3.384 196 HA LYS 24 HA LYS 24 3.646 -9.519 2.563 197 1HB LYS 24 HB2 LYS 24 1.367 -9.309 4.228 198 2HB LYS 24 HB1 LYS 24 1.131 -10.689 3.174 199 1HG LYS 24 HG2 LYS 24 3.798 -10.734 4.159 200 2HG LYS 24 HG1 LYS 24 2.690 -10.504 5.511 201 1HD LYS 24 HD2 LYS 24 2.526 -12.685 3.435 202 2HD LYS 24 HD1 LYS 24 3.071 -12.868 5.103 203 1HE LYS 24 HE2 LYS 24 0.950 -12.563 5.971 204 2HE LYS 24 HE1 LYS 24 0.388 -11.700 4.536 205 1HZ LYS 24 HZ1 LYS 24 0.987 -14.613 4.664 206 2HZ LYS 24 HZ2 LYS 24 0.387 -13.779 3.321 207 3HZ LYS 24 HZ3 LYS 24 -0.562 -13.934 4.711 208 H SER 25 HN SER 25 0.512 -8.538 1.281 209 HA SER 25 HA SER 25 0.427 -10.603 -0.709 210 1HB SER 25 HB2 SER 25 -1.646 -9.603 0.159 211 2HB SER 25 HB1 SER 25 -1.168 -8.033 -0.486 212 HG SER 25 HG SER 25 -1.847 -8.634 -2.378 213 H LEU 26 HN LEU 26 2.219 -7.845 -0.352 214 HA LEU 26 HA LEU 26 2.557 -7.470 -3.255 215 1HB LEU 26 HB2 LEU 26 3.304 -5.577 -1.026 216 2HB LEU 26 HB1 LEU 26 3.431 -5.260 -2.745 217 HG LEU 26 HG LEU 26 0.838 -5.729 -1.282 218 1HD1 LEU 26 HD11 LEU 26 0.463 -3.354 -1.475 219 2HD1 LEU 26 HD12 LEU 26 2.009 -3.139 -2.297 220 3HD1 LEU 26 HD13 LEU 26 1.970 -3.637 -0.605 221 1HD2 LEU 26 HD21 LEU 26 0.277 -4.421 -3.606 222 2HD2 LEU 26 HD22 LEU 26 0.138 -6.161 -3.361 223 3HD2 LEU 26 HD23 LEU 26 1.592 -5.488 -4.098 224 H ARG 27 HN ARG 27 3.866 -8.998 -0.701 225 HA ARG 27 HA ARG 27 5.846 -10.029 -0.319 226 1HB ARG 27 HB2 ARG 27 6.367 -9.058 -3.118 227 2HB ARG 27 HB1 ARG 27 7.597 -9.912 -2.196 228 1HG ARG 27 HG2 ARG 27 4.852 -11.007 -2.763 229 2HG ARG 27 HG1 ARG 27 6.285 -11.353 -3.734 230 1HD ARG 27 HD2 ARG 27 6.232 -11.833 -0.772 231 2HD ARG 27 HD1 ARG 27 5.630 -13.038 -1.913 232 HE ARG 27 HE ARG 27 8.148 -12.350 -2.795 233 1HH1 ARG 27 HH11 ARG 27 6.761 -13.703 0.100 234 2HH1 ARG 27 HH12 ARG 27 8.173 -14.623 0.502 235 1HH2 ARG 27 HH21 ARG 27 10.012 -13.557 -2.274 236 2HH2 ARG 27 HH22 ARG 27 10.020 -14.540 -0.848 237 H LEU 28 HN LEU 28 5.362 -6.907 -0.129 238 HA LEU 28 HA LEU 28 8.176 -6.200 0.389 239 1HB LEU 28 HB2 LEU 28 5.713 -4.468 0.079 240 2HB LEU 28 HB1 LEU 28 7.275 -3.853 0.571 241 HG LEU 28 HG LEU 28 7.688 -5.299 -1.826 242 1HD1 LEU 28 HD11 LEU 28 6.216 -4.025 -3.350 243 2HD1 LEU 28 HD12 LEU 28 5.343 -3.415 -1.943 244 3HD1 LEU 28 HD13 LEU 28 5.334 -5.140 -2.307 245 1HD2 LEU 28 HD21 LEU 28 8.089 -2.893 -2.653 246 2HD2 LEU 28 HD22 LEU 28 9.096 -3.506 -1.341 247 3HD2 LEU 28 HD23 LEU 28 7.750 -2.426 -0.987 248 H HIS 29 HN HIS 29 6.325 -7.872 2.129 249 HA HIS 29 HA HIS 29 5.654 -6.385 4.422 250 1HB HIS 29 HB2 HIS 29 5.909 -8.567 5.658 251 2HB HIS 29 HB1 HIS 29 4.824 -8.637 4.268 252 HD1 HIS 29 HD1 HIS 29 5.540 -10.099 2.280 253 HD2 HIS 29 HD2 HIS 29 8.296 -10.035 5.389 254 HE1 HIS 29 HE1 HIS 29 7.165 -11.950 1.776 255 HE2 HIS 29 HE2 HIS 29 8.801 -11.920 3.691 256 H LYS 30 HN LYS 30 8.509 -7.113 2.957 257 HA LYS 30 HA LYS 30 10.419 -7.310 4.959 258 1HB LYS 30 HB2 LYS 30 11.738 -5.912 3.072 259 2HB LYS 30 HB1 LYS 30 11.368 -7.615 2.889 260 1HG LYS 30 HG2 LYS 30 9.643 -7.199 1.406 261 2HG LYS 30 HG1 LYS 30 9.509 -5.507 1.892 262 1HD LYS 30 HD2 LYS 30 11.482 -4.930 0.762 263 2HD LYS 30 HD1 LYS 30 11.976 -6.612 0.576 264 1HE LYS 30 HE2 LYS 30 9.794 -6.839 -0.768 265 2HE LYS 30 HE1 LYS 30 9.847 -5.084 -0.868 266 1HZ LYS 30 HZ1 LYS 30 12.055 -5.258 -1.864 267 2HZ LYS 30 HZ2 LYS 30 10.896 -6.068 -2.790 268 3HZ LYS 30 HZ3 LYS 30 11.959 -6.947 -1.812 269 H TYR 31 HN TYR 31 8.766 -4.589 3.545 270 HA TYR 31 HA TYR 31 10.046 -2.720 5.398 271 1HB TYR 31 HB2 TYR 31 8.417 -2.222 2.903 272 2HB TYR 31 HB1 TYR 31 9.155 -0.975 3.906 273 HD1 TYR 31 HD1 TYR 31 9.508 -2.372 0.910 274 HD2 TYR 31 HD2 TYR 31 11.815 -1.880 4.444 275 HE1 TYR 31 HE1 TYR 31 11.574 -2.608 -0.411 276 HE2 TYR 31 HE2 TYR 31 13.886 -2.103 3.138 277 HH TYR 31 HH TYR 31 13.942 -1.973 -0.254 278 H SER 32 HN SER 32 7.929 -4.665 6.091 279 HA SER 32 HA SER 32 5.459 -3.343 6.384 280 1HB SER 32 HB2 SER 32 6.727 -5.720 7.687 281 2HB SER 32 HB1 SER 32 5.229 -5.067 8.349 282 HG SER 32 HG SER 32 5.015 -5.266 5.692 283 H ASP 33 HN ASP 33 8.217 -3.713 8.557 284 HA ASP 33 HA ASP 33 7.149 -2.349 10.758 285 1HB ASP 33 HB2 ASP 33 9.251 -3.711 10.747 286 2HB ASP 33 HB1 ASP 33 10.051 -2.388 9.910 287 H ALA 34 HN ALA 34 9.160 -1.144 8.097 288 HA ALA 34 HA ALA 34 9.213 1.556 8.938 289 1HB ALA 34 HB1 ALA 34 10.303 2.021 6.931 290 2HB ALA 34 HB2 ALA 34 9.553 0.654 6.111 291 3HB ALA 34 HB3 ALA 34 10.789 0.376 7.339 292 H LEU 35 HN LEU 35 6.921 -0.256 7.043 293 HA LEU 35 HA LEU 35 5.580 2.235 6.289 294 1HB LEU 35 HB2 LEU 35 5.361 -0.587 5.285 295 2HB LEU 35 HB1 LEU 35 4.242 0.673 4.810 296 HG LEU 35 HG LEU 35 5.866 1.832 3.579 297 1HD1 LEU 35 HD11 LEU 35 7.820 0.400 5.309 298 2HD1 LEU 35 HD12 LEU 35 7.807 2.080 4.794 299 3HD1 LEU 35 HD13 LEU 35 8.316 0.823 3.682 300 1HD2 LEU 35 HD21 LEU 35 5.160 -0.358 2.614 301 2HD2 LEU 35 HD22 LEU 35 6.646 -1.061 3.275 302 3HD2 LEU 35 HD23 LEU 35 6.732 0.208 2.043 303 H SER 36 HN SER 36 5.370 -0.112 8.676 304 HA SER 36 HA SER 36 2.555 -0.432 8.842 305 1HB SER 36 HB2 SER 36 4.051 -2.014 9.954 306 2HB SER 36 HB1 SER 36 4.671 -0.733 10.994 307 HG SER 36 HG SER 36 2.319 -0.512 11.593 308 H GLY 37 HN GLY 37 4.861 1.708 10.492 309 1HA GLY 37 HA2 GLY 37 3.110 3.008 12.215 310 2HA GLY 37 HA1 GLY 37 4.560 3.733 11.532 311 H THR 38 HN THR 38 3.163 3.060 8.824 312 HA THR 38 HA THR 38 1.545 5.510 8.770 313 HB THR 38 HB THR 38 3.018 4.219 6.452 314 HG1 THR 38 HG1 THR 38 3.822 6.701 7.370 315 1HG2 THR 38 HG21 THR 38 0.883 5.785 6.219 316 2HG2 THR 38 HG22 THR 38 2.261 5.928 5.125 317 3HG2 THR 38 HG23 THR 38 2.087 7.049 6.476 318 HA PRO 39 HA PRO 39 -1.879 2.751 7.889 319 1HB PRO 39 HB2 PRO 39 -3.710 4.610 7.225 320 2HB PRO 39 HB1 PRO 39 -3.189 4.372 8.896 321 1HG PRO 39 HG2 PRO 39 -2.207 6.371 6.894 322 2HG PRO 39 HG1 PRO 39 -2.743 6.661 8.558 323 1HD PRO 39 HD2 PRO 39 -0.146 6.475 7.976 324 2HD PRO 39 HD1 PRO 39 -0.792 5.751 9.466 325 H TRP 40 HN TRP 40 -3.558 2.563 6.002 326 HA TRP 40 HA TRP 40 -2.064 2.447 3.587 327 1HB TRP 40 HB2 TRP 40 -4.132 1.695 2.511 328 2HB TRP 40 HB1 TRP 40 -3.829 0.816 3.996 329 HD1 TRP 40 HD1 TRP 40 -5.463 1.480 6.130 330 HE1 TRP 40 HE1 TRP 40 -7.920 2.266 6.112 331 HE3 TRP 40 HE3 TRP 40 -5.805 3.062 1.269 332 HZ2 TRP 40 HZ2 TRP 40 -9.732 3.431 4.315 333 HZ3 TRP 40 HZ3 TRP 40 -7.940 4.022 0.508 334 HH2 TRP 40 HH2 TRP 40 -9.855 4.195 1.989 335 H ILE 41 HN ILE 41 -4.781 4.474 4.654 336 HA ILE 41 HA ILE 41 -5.149 5.988 2.387 337 HB ILE 41 HB ILE 41 -6.432 6.062 4.620 338 1HG1 ILE 41 HG12 ILE 41 -6.392 8.836 3.903 339 2HG1 ILE 41 HG11 ILE 41 -6.186 7.870 2.440 340 1HG2 ILE 41 HG21 ILE 41 -4.644 8.409 5.183 341 2HG2 ILE 41 HG22 ILE 41 -4.319 6.813 5.857 342 3HG2 ILE 41 HG23 ILE 41 -5.828 7.641 6.242 343 1HD1 ILE 41 HD11 ILE 41 -8.437 7.694 4.431 344 2HD1 ILE 41 HD12 ILE 41 -8.210 6.586 3.077 345 3HD1 ILE 41 HD13 ILE 41 -8.515 8.298 2.776 346 H GLU 42 HN GLU 42 -2.480 6.046 4.593 347 HA GLU 42 HA GLU 42 -1.496 8.560 3.441 348 1HB GLU 42 HB2 GLU 42 -0.604 6.926 5.814 349 2HB GLU 42 HB1 GLU 42 0.335 8.272 5.183 350 1HG GLU 42 HG2 GLU 42 -2.490 8.445 6.211 351 2HG GLU 42 HG1 GLU 42 -1.041 8.909 7.102 352 H LEU 43 HN LEU 43 -0.762 5.154 3.770 353 HA LEU 43 HA LEU 43 1.759 5.015 2.608 354 1HB LEU 43 HB2 LEU 43 -0.321 3.246 3.347 355 2HB LEU 43 HB1 LEU 43 0.141 2.830 1.712 356 HG LEU 43 HG LEU 43 1.371 1.453 3.260 357 1HD1 LEU 43 HD11 LEU 43 3.717 2.141 2.677 358 2HD1 LEU 43 HD12 LEU 43 3.022 3.580 1.930 359 3HD1 LEU 43 HD13 LEU 43 2.608 1.980 1.316 360 1HD2 LEU 43 HD21 LEU 43 2.173 2.152 5.209 361 2HD2 LEU 43 HD22 LEU 43 1.326 3.670 4.909 362 3HD2 LEU 43 HD23 LEU 43 3.023 3.503 4.461 363 H ILE 44 HN ILE 44 -1.334 4.330 1.088 364 HA ILE 44 HA ILE 44 -0.607 4.254 -1.556 365 HB ILE 44 HB ILE 44 -2.931 4.665 -2.071 366 1HG1 ILE 44 HG12 ILE 44 -3.433 5.319 0.822 367 2HG1 ILE 44 HG11 ILE 44 -3.050 6.583 -0.330 368 1HG2 ILE 44 HG21 ILE 44 -3.947 3.046 -0.364 369 2HG2 ILE 44 HG22 ILE 44 -2.341 3.002 0.361 370 3HG2 ILE 44 HG23 ILE 44 -2.572 2.480 -1.309 371 1HD1 ILE 44 HD11 ILE 44 -5.491 6.008 0.223 372 2HD1 ILE 44 HD12 ILE 44 -5.237 4.671 -0.899 373 3HD1 ILE 44 HD13 ILE 44 -5.019 6.333 -1.442 374 H TYR 45 HN TYR 45 -0.778 6.985 0.513 375 HA TYR 45 HA TYR 45 -0.951 8.843 -1.744 376 1HB TYR 45 HB2 TYR 45 -1.353 9.088 1.199 377 2HB TYR 45 HB1 TYR 45 -0.869 10.521 0.302 378 HD1 TYR 45 HD1 TYR 45 -2.958 8.110 -1.471 379 HD2 TYR 45 HD2 TYR 45 -3.002 11.541 1.058 380 HE1 TYR 45 HE1 TYR 45 -5.319 8.517 -2.065 381 HE2 TYR 45 HE2 TYR 45 -5.350 11.953 0.465 382 HH TYR 45 HH TYR 45 -6.897 11.409 -1.423 383 H LEU 46 HN LEU 46 1.396 7.353 0.199 384 HA LEU 46 HA LEU 46 3.356 9.355 0.388 385 1HB LEU 46 HB2 LEU 46 3.809 6.395 0.016 386 2HB LEU 46 HB1 LEU 46 4.969 7.545 0.623 387 HG LEU 46 HG LEU 46 2.488 6.574 2.014 388 1HD1 LEU 46 HD11 LEU 46 4.193 5.897 3.715 389 2HD1 LEU 46 HD12 LEU 46 5.444 6.329 2.543 390 3HD1 LEU 46 HD13 LEU 46 4.300 5.034 2.180 391 1HD2 LEU 46 HD21 LEU 46 4.196 8.957 2.515 392 2HD2 LEU 46 HD22 LEU 46 3.618 8.027 3.896 393 3HD2 LEU 46 HD23 LEU 46 2.464 8.736 2.765 394 H ASP 47 HN ASP 47 5.611 8.378 -0.763 395 HA ASP 47 HA ASP 47 5.188 8.067 -3.620 396 1HB ASP 47 HB2 ASP 47 6.765 10.393 -2.489 397 2HB ASP 47 HB1 ASP 47 6.656 9.961 -4.192 398 H ASP 48 HN ASP 48 7.402 7.813 -4.716 399 HA ASP 48 HA ASP 48 8.776 5.698 -3.683 400 1HB ASP 48 HB2 ASP 48 10.635 6.497 -5.221 401 2HB ASP 48 HB1 ASP 48 9.076 6.227 -5.969 402 H GLU 49 HN GLU 49 9.712 9.116 -3.546 403 HA GLU 49 HA GLU 49 12.039 8.902 -2.074 404 1HB GLU 49 HB2 GLU 49 11.316 11.017 -3.039 405 2HB GLU 49 HB1 GLU 49 9.960 11.087 -1.924 406 1HG GLU 49 HG2 GLU 49 11.559 11.207 -0.036 407 2HG GLU 49 HG1 GLU 49 12.880 11.238 -1.207 408 H THR 50 HN THR 50 8.813 9.629 -0.706 409 HA THR 50 HA THR 50 9.459 9.548 1.961 410 HB THR 50 HB THR 50 6.896 8.498 0.746 411 HG1 THR 50 HG1 THR 50 7.367 11.107 1.765 412 1HG2 THR 50 HG21 THR 50 7.224 7.898 3.121 413 2HG2 THR 50 HG22 THR 50 5.894 9.040 2.893 414 3HG2 THR 50 HG23 THR 50 7.449 9.609 3.500 415 H LEU 51 HN LEU 51 8.480 6.833 -0.101 416 HA LEU 51 HA LEU 51 8.456 4.798 1.760 417 1HB LEU 51 HB2 LEU 51 9.146 4.896 -1.154 418 2HB LEU 51 HB1 LEU 51 9.285 3.388 -0.271 419 HG LEU 51 HG LEU 51 6.744 5.010 -0.417 420 1HD1 LEU 51 HD11 LEU 51 5.962 3.447 -2.074 421 2HD1 LEU 51 HD12 LEU 51 7.489 2.568 -2.013 422 3HD1 LEU 51 HD13 LEU 51 7.444 4.214 -2.644 423 1HD2 LEU 51 HD21 LEU 51 5.737 2.845 0.301 424 2HD2 LEU 51 HD22 LEU 51 6.790 3.586 1.505 425 3HD2 LEU 51 HD23 LEU 51 7.369 2.225 0.545 426 H GLU 52 HN GLU 52 11.197 6.197 0.032 427 HA GLU 52 HA GLU 52 13.170 4.420 1.010 428 1HB GLU 52 HB2 GLU 52 13.222 6.269 -0.881 429 2HB GLU 52 HB1 GLU 52 13.789 7.294 0.437 430 1HG GLU 52 HG2 GLU 52 15.635 5.738 0.843 431 2HG GLU 52 HG1 GLU 52 15.079 4.736 -0.497 432 H LYS 53 HN LYS 53 11.798 7.422 2.114 433 HA LYS 53 HA LYS 53 13.519 7.927 4.278 434 1HB LYS 53 HB2 LYS 53 10.619 8.725 4.106 435 2HB LYS 53 HB1 LYS 53 11.906 9.529 4.994 436 1HG LYS 53 HG2 LYS 53 12.005 9.217 2.022 437 2HG LYS 53 HG1 LYS 53 11.163 10.566 2.785 438 1HD LYS 53 HD2 LYS 53 14.064 9.864 3.240 439 2HD LYS 53 HD1 LYS 53 13.494 11.100 2.114 440 1HE LYS 53 HE2 LYS 53 12.222 11.567 4.573 441 2HE LYS 53 HE1 LYS 53 13.926 11.289 4.932 442 1HZ LYS 53 HZ1 LYS 53 12.831 13.285 3.020 443 2HZ LYS 53 HZ2 LYS 53 14.478 12.985 3.263 444 3HZ LYS 53 HZ3 LYS 53 13.540 13.617 4.520 445 H LYS 54 HN LYS 54 10.726 5.832 3.947 446 HA LYS 54 HA LYS 54 10.382 5.383 6.769 447 1HB LYS 54 HB2 LYS 54 9.458 3.316 4.855 448 2HB LYS 54 HB1 LYS 54 8.604 4.042 6.199 449 1HG LYS 54 HG2 LYS 54 9.083 5.378 3.545 450 2HG LYS 54 HG1 LYS 54 7.604 4.537 3.981 451 1HD LYS 54 HD2 LYS 54 8.705 6.950 5.411 452 2HD LYS 54 HD1 LYS 54 7.432 6.967 4.213 453 1HE LYS 54 HE2 LYS 54 6.269 7.008 6.204 454 2HE LYS 54 HE1 LYS 54 6.215 5.314 5.727 455 1HZ LYS 54 HZ1 LYS 54 8.187 6.433 7.644 456 2HZ LYS 54 HZ2 LYS 54 7.934 4.800 7.282 457 3HZ LYS 54 HZ3 LYS 54 6.745 5.675 8.103 458 H GLY 55 HN GLY 55 11.534 3.445 4.058 459 1HA GLY 55 HA2 GLY 55 13.855 2.466 5.187 460 2HA GLY 55 HA1 GLY 55 12.587 1.325 5.625 461 H VAL 56 HN VAL 56 11.259 2.239 2.993 462 HA VAL 56 HA VAL 56 12.180 0.088 1.387 463 HB VAL 56 HB VAL 56 10.557 2.385 0.322 464 1HG1 VAL 56 HG11 VAL 56 9.963 -0.478 -0.187 465 2HG1 VAL 56 HG12 VAL 56 11.384 0.222 -0.951 466 3HG1 VAL 56 HG13 VAL 56 9.792 0.918 -1.243 467 1HG2 VAL 56 HG21 VAL 56 8.553 1.002 1.154 468 2HG2 VAL 56 HG22 VAL 56 9.388 2.033 2.318 469 3HG2 VAL 56 HG23 VAL 56 9.699 0.295 2.290 470 H LEU 57 HN LEU 57 14.426 0.581 1.252 471 HA LEU 57 HA LEU 57 15.339 2.969 -0.060 472 1HB LEU 57 HB2 LEU 57 16.604 0.512 1.062 473 2HB LEU 57 HB1 LEU 57 17.539 1.531 -0.015 474 HG LEU 57 HG LEU 57 17.823 3.157 1.547 475 1HD1 LEU 57 HD11 LEU 57 16.150 3.648 3.356 476 2HD1 LEU 57 HD12 LEU 57 15.082 2.475 2.585 477 3HD1 LEU 57 HD13 LEU 57 15.579 3.920 1.709 478 1HD2 LEU 57 HD21 LEU 57 18.418 0.878 2.547 479 2HD2 LEU 57 HD22 LEU 57 16.971 1.084 3.539 480 3HD2 LEU 57 HD23 LEU 57 18.290 2.252 3.646 481 H ALA 58 HN ALA 58 14.655 -0.324 -0.996 482 HA ALA 58 HA ALA 58 16.073 -0.463 -3.404 483 1HB ALA 58 HB1 ALA 58 14.990 -2.418 -3.743 484 2HB ALA 58 HB2 ALA 58 13.421 -1.737 -3.308 485 3HB ALA 58 HB3 ALA 58 14.565 -2.203 -2.042 486 H LEU 59 HN LEU 59 15.978 0.997 -4.967 487 HA LEU 59 HA LEU 59 13.901 2.718 -5.537 488 1HB LEU 59 HB2 LEU 59 16.337 1.873 -6.829 489 2HB LEU 59 HB1 LEU 59 15.056 2.015 -8.017 490 HG LEU 59 HG LEU 59 16.176 4.094 -7.990 491 1HD1 LEU 59 HD11 LEU 59 14.400 5.613 -6.950 492 2HD1 LEU 59 HD12 LEU 59 13.578 4.111 -6.517 493 3HD1 LEU 59 HD13 LEU 59 13.891 4.487 -8.211 494 1HD2 LEU 59 HD21 LEU 59 16.594 5.389 -5.990 495 2HD2 LEU 59 HD22 LEU 59 17.317 3.790 -5.827 496 3HD2 LEU 59 HD23 LEU 59 15.806 4.162 -4.997 497 H GLY 60 HN GLY 60 14.385 -0.616 -6.304 498 1HA GLY 60 HA2 GLY 60 12.320 -0.816 -8.255 499 2HA GLY 60 HA1 GLY 60 13.138 -2.152 -7.470 500 H ALA 61 HN ALA 61 12.514 -1.468 -4.787 501 HA ALA 61 HA ALA 61 9.905 -2.619 -4.615 502 1HB ALA 61 HB1 ALA 61 10.421 -3.087 -2.487 503 2HB ALA 61 HB2 ALA 61 11.085 -1.486 -2.173 504 3HB ALA 61 HB3 ALA 61 12.053 -2.696 -3.016 505 H ARG 62 HN ARG 62 11.197 0.594 -3.704 506 HA ARG 62 HA ARG 62 8.716 1.522 -2.733 507 1HB ARG 62 HB2 ARG 62 9.748 3.729 -2.683 508 2HB ARG 62 HB1 ARG 62 10.795 2.512 -2.000 509 1HG ARG 62 HG2 ARG 62 12.055 2.465 -4.131 510 2HG ARG 62 HG1 ARG 62 11.058 3.812 -4.689 511 1HD ARG 62 HD2 ARG 62 11.795 5.067 -2.639 512 2HD ARG 62 HD1 ARG 62 12.944 3.768 -2.342 513 HE ARG 62 HE ARG 62 13.776 4.382 -4.693 514 1HH1 ARG 62 HH11 ARG 62 12.443 6.640 -2.398 515 2HH1 ARG 62 HH12 ARG 62 13.334 7.991 -3.013 516 1HH2 ARG 62 HH21 ARG 62 14.955 6.164 -5.509 517 2HH2 ARG 62 HH22 ARG 62 14.761 7.720 -4.778 518 H ARG 63 HN ARG 63 10.441 2.512 -5.688 519 HA ARG 63 HA ARG 63 8.421 4.047 -6.766 520 1HB ARG 63 HB2 ARG 63 9.637 4.090 -8.703 521 2HB ARG 63 HB1 ARG 63 10.869 3.470 -7.615 522 1HG ARG 63 HG2 ARG 63 10.398 1.203 -8.354 523 2HG ARG 63 HG1 ARG 63 9.142 1.809 -9.433 524 1HD ARG 63 HD2 ARG 63 12.064 2.556 -9.576 525 2HD ARG 63 HD1 ARG 63 11.270 1.360 -10.604 526 HE ARG 63 HE ARG 63 10.341 4.149 -10.577 527 1HH1 ARG 63 HH11 ARG 63 11.668 1.410 -12.278 528 2HH1 ARG 63 HH12 ARG 63 11.453 2.119 -13.844 529 1HH2 ARG 63 HH21 ARG 63 10.054 5.085 -12.633 530 2HH2 ARG 63 HH22 ARG 63 10.535 4.205 -14.046 531 H LYS 64 HN LYS 64 8.636 0.639 -6.378 532 HA LYS 64 HA LYS 64 6.626 -0.036 -8.338 533 1HB LYS 64 HB2 LYS 64 8.330 -1.662 -7.775 534 2HB LYS 64 HB1 LYS 64 7.859 -1.617 -6.078 535 1HG LYS 64 HG2 LYS 64 5.731 -2.624 -6.607 536 2HG LYS 64 HG1 LYS 64 6.100 -2.574 -8.331 537 1HD LYS 64 HD2 LYS 64 7.925 -4.003 -6.437 538 2HD LYS 64 HD1 LYS 64 6.447 -4.783 -7.003 539 1HE LYS 64 HE2 LYS 64 8.276 -5.433 -8.426 540 2HE LYS 64 HE1 LYS 64 7.181 -4.392 -9.333 541 1HZ LYS 64 HZ1 LYS 64 9.690 -3.469 -8.042 542 2HZ LYS 64 HZ2 LYS 64 8.676 -2.558 -9.042 543 3HZ LYS 64 HZ3 LYS 64 9.544 -3.861 -9.681 544 H LEU 65 HN LEU 65 6.736 0.402 -4.829 545 HA LEU 65 HA LEU 65 4.157 -0.452 -4.226 546 1HB LEU 65 HB2 LEU 65 6.151 1.306 -2.952 547 2HB LEU 65 HB1 LEU 65 4.491 1.521 -2.425 548 HG LEU 65 HG LEU 65 5.407 -1.272 -2.524 549 1HD1 LEU 65 HD11 LEU 65 6.605 0.727 -0.625 550 2HD1 LEU 65 HD12 LEU 65 7.441 -0.346 -1.748 551 3HD1 LEU 65 HD13 LEU 65 6.601 -1.016 -0.350 552 1HD2 LEU 65 HD21 LEU 65 4.206 -1.359 -0.404 553 2HD2 LEU 65 HD22 LEU 65 3.218 -0.611 -1.659 554 3HD2 LEU 65 HD23 LEU 65 4.001 0.392 -0.438 555 H LEU 66 HN LEU 66 5.302 2.414 -5.760 556 HA LEU 66 HA LEU 66 3.120 4.123 -5.311 557 1HB LEU 66 HB2 LEU 66 5.273 3.956 -7.371 558 2HB LEU 66 HB1 LEU 66 3.927 5.046 -7.642 559 HG LEU 66 HG LEU 66 5.287 5.217 -5.010 560 1HD1 LEU 66 HD11 LEU 66 6.586 5.821 -7.615 561 2HD1 LEU 66 HD12 LEU 66 7.288 5.224 -6.108 562 3HD1 LEU 66 HD13 LEU 66 6.844 6.925 -6.263 563 1HD2 LEU 66 HD21 LEU 66 4.840 7.605 -5.355 564 2HD2 LEU 66 HD22 LEU 66 3.379 6.633 -5.518 565 3HD2 LEU 66 HD23 LEU 66 4.195 7.246 -6.956 566 H LYS 67 HN LYS 67 3.466 1.319 -7.256 567 HA LYS 67 HA LYS 67 1.322 1.942 -9.069 568 1HB LYS 67 HB2 LYS 67 3.376 0.267 -9.294 569 2HB LYS 67 HB1 LYS 67 2.235 -0.854 -8.567 570 1HG LYS 67 HG2 LYS 67 1.458 0.760 -10.962 571 2HG LYS 67 HG1 LYS 67 2.419 -0.706 -11.143 572 1HD LYS 67 HD2 LYS 67 -0.092 -0.771 -9.526 573 2HD LYS 67 HD1 LYS 67 -0.182 -0.821 -11.286 574 1HE LYS 67 HE2 LYS 67 1.355 -2.756 -11.271 575 2HE LYS 67 HE1 LYS 67 1.321 -2.728 -9.511 576 1HZ LYS 67 HZ1 LYS 67 -0.990 -3.239 -9.519 577 2HZ LYS 67 HZ2 LYS 67 -0.222 -4.355 -10.531 578 3HZ LYS 67 HZ3 LYS 67 -1.093 -3.068 -11.200 579 H ALA 68 HN ALA 68 1.836 0.135 -6.108 580 HA ALA 68 HA ALA 68 -0.822 -0.918 -5.943 581 1HB ALA 68 HB1 ALA 68 -0.176 -1.479 -3.603 582 2HB ALA 68 HB2 ALA 68 1.361 -0.652 -3.870 583 3HB ALA 68 HB3 ALA 68 0.951 -2.084 -4.815 584 H PHE 69 HN PHE 69 0.770 2.004 -5.038 585 HA PHE 69 HA PHE 69 -0.956 2.964 -3.049 586 1HB PHE 69 HB2 PHE 69 0.879 4.297 -5.030 587 2HB PHE 69 HB1 PHE 69 -0.078 5.234 -3.899 588 HD1 PHE 69 HD1 PHE 69 0.648 2.379 -2.110 589 HD2 PHE 69 HD2 PHE 69 2.571 5.835 -3.694 590 HE1 PHE 69 HE1 PHE 69 2.424 2.166 -0.425 591 HE2 PHE 69 HE2 PHE 69 4.346 5.621 -2.007 592 HZ PHE 69 HZ PHE 69 4.272 3.789 -0.362 593 H GLY 70 HN GLY 70 -1.022 3.275 -6.576 594 1HA GLY 70 HA2 GLY 70 -3.249 5.074 -6.596 595 2HA GLY 70 HA1 GLY 70 -2.558 4.264 -7.989 596 H ILE 71 HN ILE 71 -2.927 1.598 -7.220 597 HA ILE 71 HA ILE 71 -5.505 1.091 -8.111 598 HB ILE 71 HB ILE 71 -3.869 -0.728 -6.337 599 1HG1 ILE 71 HG12 ILE 71 -3.895 -0.858 -9.332 600 2HG1 ILE 71 HG11 ILE 71 -2.826 0.283 -8.521 601 1HG2 ILE 71 HG21 ILE 71 -5.910 -1.439 -8.434 602 2HG2 ILE 71 HG22 ILE 71 -6.268 -1.322 -6.712 603 3HG2 ILE 71 HG23 ILE 71 -5.116 -2.523 -7.292 604 1HD1 ILE 71 HD11 ILE 71 -2.861 -2.668 -7.960 605 2HD1 ILE 71 HD12 ILE 71 -1.685 -1.477 -7.398 606 3HD1 ILE 71 HD13 ILE 71 -1.777 -1.888 -9.112 607 H VAL 72 HN VAL 72 -4.292 1.501 -4.839 608 HA VAL 72 HA VAL 72 -6.687 0.659 -3.524 609 HB VAL 72 HB VAL 72 -4.510 2.481 -2.487 610 1HG1 VAL 72 HG11 VAL 72 -5.307 2.017 -0.299 611 2HG1 VAL 72 HG12 VAL 72 -6.430 0.799 -0.889 612 3HG1 VAL 72 HG13 VAL 72 -6.704 2.499 -1.258 613 1HG2 VAL 72 HG21 VAL 72 -3.728 0.240 -3.268 614 2HG2 VAL 72 HG22 VAL 72 -4.783 -0.489 -2.064 615 3HG2 VAL 72 HG23 VAL 72 -3.457 0.553 -1.556 616 H ILE 73 HN ILE 73 -5.294 3.771 -4.393 617 HA ILE 73 HA ILE 73 -7.124 5.509 -3.280 618 HB ILE 73 HB ILE 73 -5.384 5.686 -5.719 619 1HG1 ILE 73 HG12 ILE 73 -5.370 7.246 -3.136 620 2HG1 ILE 73 HG11 ILE 73 -4.469 5.753 -3.371 621 1HG2 ILE 73 HG21 ILE 73 -6.033 8.238 -5.435 622 2HG2 ILE 73 HG22 ILE 73 -7.541 7.519 -4.870 623 3HG2 ILE 73 HG23 ILE 73 -6.947 7.154 -6.487 624 1HD1 ILE 73 HD11 ILE 73 -4.062 7.966 -5.306 625 2HD1 ILE 73 HD12 ILE 73 -2.940 6.733 -4.733 626 3HD1 ILE 73 HD13 ILE 73 -3.350 8.098 -3.699 627 H ASP 74 HN ASP 74 -7.236 4.060 -6.500 628 HA ASP 74 HA ASP 74 -9.594 5.341 -7.362 629 1HB ASP 74 HB2 ASP 74 -7.833 4.105 -8.771 630 2HB ASP 74 HB1 ASP 74 -8.677 2.627 -8.324 631 H TYR 75 HN TYR 75 -9.247 1.884 -6.346 632 HA TYR 75 HA TYR 75 -11.969 1.297 -6.363 633 1HB TYR 75 HB2 TYR 75 -9.586 0.126 -5.049 634 2HB TYR 75 HB1 TYR 75 -11.131 -0.272 -4.310 635 HD1 TYR 75 HD1 TYR 75 -11.419 0.329 -7.808 636 HD2 TYR 75 HD2 TYR 75 -10.371 -2.652 -4.971 637 HE1 TYR 75 HE1 TYR 75 -11.789 -1.403 -9.509 638 HE2 TYR 75 HE2 TYR 75 -10.728 -4.398 -6.663 639 HH TYR 75 HH TYR 75 -11.064 -3.719 -9.964 640 H LYS 76 HN LYS 76 -10.011 2.917 -4.034 641 HA LYS 76 HA LYS 76 -11.811 3.054 -1.874 642 1HB LYS 76 HB2 LYS 76 -9.436 3.580 -1.717 643 2HB LYS 76 HB1 LYS 76 -9.629 4.895 -2.848 644 1HG LYS 76 HG2 LYS 76 -11.342 5.692 -0.966 645 2HG LYS 76 HG1 LYS 76 -10.162 4.811 0.019 646 1HD LYS 76 HD2 LYS 76 -9.467 6.918 -2.024 647 2HD LYS 76 HD1 LYS 76 -9.609 7.207 -0.307 648 1HE LYS 76 HE2 LYS 76 -7.277 6.792 -1.360 649 2HE LYS 76 HE1 LYS 76 -7.660 6.075 0.201 650 1HZ LYS 76 HZ1 LYS 76 -8.100 3.990 -0.862 651 2HZ LYS 76 HZ2 LYS 76 -6.588 4.527 -1.378 652 3HZ LYS 76 HZ3 LYS 76 -7.921 4.662 -2.397 653 H GLU 77 HN GLU 77 -11.086 5.176 -4.569 654 HA GLU 77 HA GLU 77 -13.043 7.133 -4.048 655 1HB GLU 77 HB2 GLU 77 -11.341 6.393 -6.414 656 2HB GLU 77 HB1 GLU 77 -12.459 7.738 -6.474 657 1HG GLU 77 HG2 GLU 77 -11.250 8.490 -4.306 658 2HG GLU 77 HG1 GLU 77 -9.985 7.410 -4.853 659 H ARG 78 HN ARG 78 -13.196 4.004 -5.374 660 HA ARG 78 HA ARG 78 -15.690 4.545 -6.818 661 1HB ARG 78 HB2 ARG 78 -13.814 2.195 -6.724 662 2HB ARG 78 HB1 ARG 78 -15.428 2.059 -7.398 663 1HG ARG 78 HG2 ARG 78 -14.869 3.831 -9.018 664 2HG ARG 78 HG1 ARG 78 -13.227 3.864 -8.369 665 1HD ARG 78 HD2 ARG 78 -12.964 1.495 -8.954 666 2HD ARG 78 HD1 ARG 78 -14.592 1.487 -9.629 667 HE ARG 78 HE ARG 78 -12.937 3.493 -10.796 668 1HH1 ARG 78 HH11 ARG 78 -13.731 0.103 -10.878 669 2HH1 ARG 78 HH12 ARG 78 -13.234 -0.106 -12.524 670 1HH2 ARG 78 HH21 ARG 78 -12.279 3.228 -12.968 671 2HH2 ARG 78 HH22 ARG 78 -12.407 1.668 -13.711 672 H ASP 79 HN ASP 79 -15.338 4.503 -3.843 673 HA ASP 79 HA ASP 79 -16.226 3.615 -1.955 674 1HB ASP 79 HB2 ASP 79 -18.582 3.499 -1.987 675 2HB ASP 79 HB1 ASP 79 -18.152 4.697 -3.191 676 H LEU 80 HN LEU 80 -14.742 1.775 -3.644 677 HA LEU 80 HA LEU 80 -16.116 -0.765 -3.396 678 1HB LEU 80 HB2 LEU 80 -13.915 0.266 -4.953 679 2HB LEU 80 HB1 LEU 80 -13.458 -1.229 -4.170 680 HG LEU 80 HG LEU 80 -15.869 -1.940 -5.168 681 1HD1 LEU 80 HD11 LEU 80 -16.088 -1.051 -7.413 682 2HD1 LEU 80 HD12 LEU 80 -14.689 -0.005 -7.154 683 3HD1 LEU 80 HD13 LEU 80 -16.172 0.258 -6.233 684 1HD2 LEU 80 HD21 LEU 80 -13.708 -3.097 -5.426 685 2HD2 LEU 80 HD22 LEU 80 -13.286 -1.951 -6.698 686 3HD2 LEU 80 HD23 LEU 80 -14.641 -3.056 -6.923 687 H ILE 81 HN ILE 81 -13.855 1.154 -1.660 688 HA ILE 81 HA ILE 81 -13.004 -1.102 0.010 689 HB ILE 81 HB ILE 81 -12.092 1.777 0.041 690 1HG1 ILE 81 HG12 ILE 81 -10.762 -0.736 -0.995 691 2HG1 ILE 81 HG11 ILE 81 -11.376 0.592 -1.972 692 1HG2 ILE 81 HG21 ILE 81 -11.016 -0.614 1.547 693 2HG2 ILE 81 HG22 ILE 81 -11.925 0.719 2.260 694 3HG2 ILE 81 HG23 ILE 81 -10.331 1.010 1.561 695 1HD1 ILE 81 HD11 ILE 81 -9.035 0.636 -0.091 696 2HD1 ILE 81 HD12 ILE 81 -9.713 2.075 -0.852 697 3HD1 ILE 81 HD13 ILE 81 -9.014 0.797 -1.847 698 H ASP 82 HN ASP 82 -13.648 -1.361 2.080 699 HA ASP 82 HA ASP 82 -16.017 -0.159 2.966 700 1HB ASP 82 HB2 ASP 82 -14.833 -2.379 3.700 701 2HB ASP 82 HB1 ASP 82 -14.046 -1.342 4.889 702 H ARG 83 HN ARG 83 -16.409 1.677 4.031 703 HA ARG 83 HA ARG 83 -14.434 3.629 4.323 704 1HB ARG 83 HB2 ARG 83 -17.059 3.591 5.794 705 2HB ARG 83 HB1 ARG 83 -16.099 4.996 5.354 706 1HG ARG 83 HG2 ARG 83 -17.572 3.157 3.495 707 2HG ARG 83 HG1 ARG 83 -17.982 4.829 3.875 708 1HD ARG 83 HD2 ARG 83 -15.543 3.841 2.399 709 2HD ARG 83 HD1 ARG 83 -16.911 4.709 1.709 710 HE ARG 83 HE ARG 83 -14.649 5.847 2.975 711 1HH1 ARG 83 HH11 ARG 83 -18.095 6.252 2.627 712 2HH1 ARG 83 HH12 ARG 83 -18.047 7.965 2.876 713 1HH2 ARG 83 HH21 ARG 83 -14.581 8.103 3.298 714 2HH2 ARG 83 HH22 ARG 83 -16.052 9.017 3.257 715 H SER 84 HN SER 84 -15.113 0.942 6.216 716 HA SER 84 HA SER 84 -14.466 1.941 8.792 717 1HB SER 84 HB2 SER 84 -15.672 -0.187 8.459 718 2HB SER 84 HB1 SER 84 -14.226 -0.886 7.730 719 HG SER 84 HG SER 84 -14.802 -0.359 10.388 720 H ALA 85 HN ALA 85 -12.574 0.569 6.149 721 HA ALA 85 HA ALA 85 -10.137 0.204 7.463 722 1HB ALA 85 HB1 ALA 85 -9.104 0.583 5.199 723 2HB ALA 85 HB2 ALA 85 -10.716 0.971 4.599 724 3HB ALA 85 HB3 ALA 85 -10.375 -0.632 5.242 725 H TYR 86 HN TYR 86 -11.516 3.019 5.892 726 HA TYR 86 HA TYR 86 -9.539 4.869 5.893 727 1HB TYR 86 HB2 TYR 86 -12.416 5.233 6.727 728 2HB TYR 86 HB1 TYR 86 -11.313 6.582 6.518 729 HD1 TYR 86 HD1 TYR 86 -12.062 3.504 4.549 730 HD2 TYR 86 HD2 TYR 86 -11.738 7.738 4.578 731 HE1 TYR 86 HE1 TYR 86 -12.612 3.548 2.155 732 HE2 TYR 86 HE2 TYR 86 -12.287 7.802 2.180 733 HH TYR 86 HH TYR 86 -13.544 5.136 0.514 Start of MODEL 19 1 1H SER 1 HT1 SER 1 11.824 -11.310 -4.380 2 2H SER 1 HT2 SER 1 11.713 -12.811 -3.610 3 3H SER 1 HT3 SER 1 10.326 -11.870 -3.832 4 HA SER 1 HA SER 1 11.954 -13.088 -5.984 5 1HB SER 1 HB2 SER 1 10.670 -14.763 -4.742 6 2HB SER 1 HB1 SER 1 9.202 -13.806 -4.937 7 HG SER 1 HG SER 1 10.066 -15.648 -6.549 8 H ASN 2 HN ASN 2 8.670 -11.820 -5.381 9 HA ASN 2 HA ASN 2 8.987 -10.030 -7.673 10 1HB ASN 2 HB2 ASN 2 6.859 -10.702 -8.642 11 2HB ASN 2 HB1 ASN 2 7.923 -12.100 -8.520 12 1HD2 ASN 2 HD21 ASN 2 5.051 -10.567 -7.332 13 2HD2 ASN 2 HD22 ASN 2 4.434 -11.928 -6.462 14 H SER 3 HN SER 3 6.669 -8.816 -7.857 15 HA SER 3 HA SER 3 5.600 -8.175 -5.235 16 1HB SER 3 HB2 SER 3 6.043 -5.748 -5.496 17 2HB SER 3 HB1 SER 3 7.530 -6.686 -5.357 18 HG SER 3 HG SER 3 6.692 -6.402 -7.938 19 H SER 4 HN SER 4 3.853 -9.258 -6.493 20 HA SER 4 HA SER 4 2.629 -7.700 -8.607 21 1HB SER 4 HB2 SER 4 2.652 -10.195 -8.661 22 2HB SER 4 HB1 SER 4 1.595 -10.194 -7.249 23 HG SER 4 HG SER 4 0.666 -10.297 -9.521 24 H MET 5 HN MET 5 0.976 -6.328 -8.398 25 HA MET 5 HA MET 5 0.041 -5.686 -5.741 26 1HB MET 5 HB2 MET 5 -0.220 -4.446 -8.444 27 2HB MET 5 HB1 MET 5 -1.360 -3.992 -7.183 28 1HG MET 5 HG2 MET 5 0.502 -2.445 -7.274 29 2HG MET 5 HG1 MET 5 0.479 -3.324 -5.742 30 1HE MET 5 HE1 MET 5 4.220 -2.990 -5.984 31 2HE MET 5 HE2 MET 5 2.698 -2.397 -5.320 32 3HE MET 5 HE3 MET 5 3.289 -1.775 -6.860 33 H ASN 6 HN ASN 6 -1.483 -6.979 -4.910 34 HA ASN 6 HA ASN 6 -3.531 -8.166 -6.602 35 1HB ASN 6 HB2 ASN 6 -3.122 -8.430 -3.614 36 2HB ASN 6 HB1 ASN 6 -4.140 -9.445 -4.630 37 1HD2 ASN 6 HD21 ASN 6 -3.175 -10.926 -6.040 38 2HD2 ASN 6 HD22 ASN 6 -1.534 -11.430 -5.842 39 HA PRO 7 HA PRO 7 -6.042 -4.466 -5.616 40 1HB PRO 7 HB2 PRO 7 -7.972 -5.859 -7.372 41 2HB PRO 7 HB1 PRO 7 -7.329 -4.217 -7.472 42 1HG PRO 7 HG2 PRO 7 -6.557 -6.110 -9.194 43 2HG PRO 7 HG1 PRO 7 -5.424 -4.883 -8.598 44 1HD PRO 7 HD2 PRO 7 -5.734 -7.740 -7.768 45 2HD PRO 7 HD1 PRO 7 -4.256 -6.793 -8.009 46 H LYS 8 HN LYS 8 -6.528 -7.772 -4.978 47 HA LYS 8 HA LYS 8 -9.123 -7.491 -3.765 48 1HB LYS 8 HB2 LYS 8 -7.059 -9.698 -3.614 49 2HB LYS 8 HB1 LYS 8 -8.636 -9.780 -2.844 50 1HG LYS 8 HG2 LYS 8 -9.059 -10.917 -4.772 51 2HG LYS 8 HG1 LYS 8 -9.493 -9.283 -5.276 52 1HD LYS 8 HD2 LYS 8 -6.676 -9.769 -5.665 53 2HD LYS 8 HD1 LYS 8 -7.645 -10.996 -6.483 54 1HE LYS 8 HE2 LYS 8 -7.817 -8.007 -6.815 55 2HE LYS 8 HE1 LYS 8 -7.267 -9.186 -8.005 56 1HZ LYS 8 HZ1 LYS 8 -10.026 -8.895 -6.949 57 2HZ LYS 8 HZ2 LYS 8 -9.524 -10.140 -7.979 58 3HZ LYS 8 HZ3 LYS 8 -9.498 -8.537 -8.517 59 H SER 9 HN SER 9 -5.820 -7.974 -2.595 60 HA SER 9 HA SER 9 -6.530 -7.476 0.134 61 1HB SER 9 HB2 SER 9 -3.958 -7.956 -1.341 62 2HB SER 9 HB1 SER 9 -3.928 -7.405 0.330 63 HG SER 9 HG SER 9 -4.602 -9.305 0.974 64 H LEU 10 HN LEU 10 -5.357 -5.591 -2.541 65 HA LEU 10 HA LEU 10 -4.432 -3.377 -1.020 66 1HB LEU 10 HB2 LEU 10 -5.339 -3.459 -3.895 67 2HB LEU 10 HB1 LEU 10 -4.422 -2.175 -3.147 68 HG LEU 10 HG LEU 10 -3.341 -4.963 -3.261 69 1HD1 LEU 10 HD11 LEU 10 -3.972 -4.058 -5.554 70 2HD1 LEU 10 HD12 LEU 10 -2.292 -4.528 -5.316 71 3HD1 LEU 10 HD13 LEU 10 -2.742 -2.823 -5.284 72 1HD2 LEU 10 HD21 LEU 10 -2.366 -2.244 -2.596 73 2HD2 LEU 10 HD22 LEU 10 -1.245 -3.370 -3.350 74 3HD2 LEU 10 HD23 LEU 10 -2.020 -3.791 -1.826 75 H THR 11 HN THR 11 -7.525 -4.542 -1.501 76 HA THR 11 HA THR 11 -8.621 -1.873 -0.891 77 HB THR 11 HB THR 11 -10.461 -2.122 -2.344 78 HG1 THR 11 HG1 THR 11 -9.875 -4.795 -2.104 79 1HG2 THR 11 HG21 THR 11 -8.257 -1.611 -3.465 80 2HG2 THR 11 HG22 THR 11 -9.484 -2.311 -4.520 81 3HG2 THR 11 HG23 THR 11 -8.173 -3.313 -3.907 82 H ASP 12 HN ASP 12 -7.977 -4.501 0.592 83 HA ASP 12 HA ASP 12 -10.643 -4.896 1.771 84 1HB ASP 12 HB2 ASP 12 -9.485 -6.922 0.796 85 2HB ASP 12 HB1 ASP 12 -8.250 -6.727 2.035 86 HA PRO 13 HA PRO 13 -9.008 -2.182 4.954 87 1HB PRO 13 HB2 PRO 13 -11.230 -3.617 6.377 88 2HB PRO 13 HB1 PRO 13 -10.783 -1.904 6.439 89 1HG PRO 13 HG2 PRO 13 -12.804 -2.665 4.925 90 2HG PRO 13 HG1 PRO 13 -11.635 -1.468 4.314 91 1HD PRO 13 HD2 PRO 13 -11.940 -4.362 3.616 92 2HD PRO 13 HD1 PRO 13 -11.434 -3.003 2.598 93 H LYS 14 HN LYS 14 -9.328 -5.657 5.146 94 HA LYS 14 HA LYS 14 -8.248 -6.021 7.730 95 1HB LYS 14 HB2 LYS 14 -9.210 -7.723 5.831 96 2HB LYS 14 HB1 LYS 14 -7.483 -8.027 5.703 97 1HG LYS 14 HG2 LYS 14 -9.215 -8.324 8.146 98 2HG LYS 14 HG1 LYS 14 -8.413 -9.603 7.233 99 1HD LYS 14 HD2 LYS 14 -6.952 -7.397 8.689 100 2HD LYS 14 HD1 LYS 14 -7.281 -8.988 9.379 101 1HE LYS 14 HE2 LYS 14 -5.996 -10.042 7.604 102 2HE LYS 14 HE1 LYS 14 -5.713 -8.471 6.853 103 1HZ LYS 14 HZ1 LYS 14 -4.794 -9.239 9.572 104 2HZ LYS 14 HZ2 LYS 14 -4.457 -7.788 8.772 105 3HZ LYS 14 HZ3 LYS 14 -3.823 -9.243 8.187 106 H LEU 15 HN LEU 15 -6.720 -6.022 4.532 107 HA LEU 15 HA LEU 15 -4.054 -6.107 5.547 108 1HB LEU 15 HB2 LEU 15 -5.178 -5.418 2.837 109 2HB LEU 15 HB1 LEU 15 -3.474 -5.497 3.174 110 HG LEU 15 HG LEU 15 -4.111 -7.519 2.090 111 1HD1 LEU 15 HD11 LEU 15 -3.966 -8.911 4.535 112 2HD1 LEU 15 HD12 LEU 15 -3.046 -7.414 4.720 113 3HD1 LEU 15 HD13 LEU 15 -2.658 -8.534 3.410 114 1HD2 LEU 15 HD21 LEU 15 -5.820 -9.010 2.930 115 2HD2 LEU 15 HD22 LEU 15 -6.510 -7.419 2.609 116 3HD2 LEU 15 HD23 LEU 15 -6.159 -7.911 4.267 117 H LEU 16 HN LEU 16 -6.105 -3.635 4.101 118 HA LEU 16 HA LEU 16 -4.366 -1.518 4.028 119 1HB LEU 16 HB2 LEU 16 -7.267 -1.268 4.799 120 2HB LEU 16 HB1 LEU 16 -6.289 -0.122 3.906 121 HG LEU 16 HG LEU 16 -6.952 -2.857 2.843 122 1HD1 LEU 16 HD11 LEU 16 -8.850 -2.097 1.823 123 2HD1 LEU 16 HD12 LEU 16 -8.339 -0.414 1.876 124 3HD1 LEU 16 HD13 LEU 16 -8.921 -1.201 3.340 125 1HD2 LEU 16 HD21 LEU 16 -5.002 -1.286 2.010 126 2HD2 LEU 16 HD22 LEU 16 -6.322 -0.498 1.146 127 3HD2 LEU 16 HD23 LEU 16 -5.992 -2.208 0.883 128 H LYS 17 HN LYS 17 -6.474 -2.454 6.752 129 HA LYS 17 HA LYS 17 -5.530 -0.445 8.511 130 1HB LYS 17 HB2 LYS 17 -6.915 -3.077 9.018 131 2HB LYS 17 HB1 LYS 17 -6.527 -1.929 10.290 132 1HG LYS 17 HG2 LYS 17 -7.959 -0.285 9.314 133 2HG LYS 17 HG1 LYS 17 -8.234 -1.303 7.899 134 1HD LYS 17 HD2 LYS 17 -9.307 -2.980 9.290 135 2HD LYS 17 HD1 LYS 17 -9.000 -2.005 10.728 136 1HE LYS 17 HE2 LYS 17 -10.572 -0.966 8.393 137 2HE LYS 17 HE1 LYS 17 -11.313 -1.883 9.700 138 1HZ LYS 17 HZ1 LYS 17 -10.377 -0.208 11.255 139 2HZ LYS 17 HZ2 LYS 17 -11.537 0.417 10.197 140 3HZ LYS 17 HZ3 LYS 17 -9.895 0.711 9.918 141 H ASN 18 HN ASN 18 -4.411 -3.588 7.599 142 HA ASN 18 HA ASN 18 -2.268 -3.474 9.620 143 1HB ASN 18 HB2 ASN 18 -3.983 -5.519 9.329 144 2HB ASN 18 HB1 ASN 18 -2.836 -5.968 8.078 145 1HD2 ASN 18 HD21 ASN 18 -2.412 -7.842 9.343 146 2HD2 ASN 18 HD22 ASN 18 -1.329 -7.757 10.685 147 H ILE 19 HN ILE 19 -1.420 -1.861 7.970 148 HA ILE 19 HA ILE 19 -0.729 -2.295 5.410 149 HB ILE 19 HB ILE 19 0.880 -0.929 7.543 150 1HG1 ILE 19 HG12 ILE 19 -1.237 0.129 6.889 151 2HG1 ILE 19 HG11 ILE 19 0.132 1.091 6.361 152 1HG2 ILE 19 HG21 ILE 19 1.470 -0.798 4.593 153 2HG2 ILE 19 HG22 ILE 19 2.342 -1.841 5.710 154 3HG2 ILE 19 HG23 ILE 19 2.397 -0.094 5.916 155 1HD1 ILE 19 HD11 ILE 19 -1.271 1.161 4.539 156 2HD1 ILE 19 HD12 ILE 19 -1.764 -0.521 4.715 157 3HD1 ILE 19 HD13 ILE 19 -0.155 -0.131 4.110 158 HA PRO 20 HA PRO 20 3.406 -4.705 6.823 159 1HB PRO 20 HB2 PRO 20 1.861 -6.166 8.942 160 2HB PRO 20 HB1 PRO 20 3.599 -5.821 8.861 161 1HG PRO 20 HG2 PRO 20 2.036 -4.377 10.433 162 2HG PRO 20 HG1 PRO 20 3.317 -3.597 9.490 163 1HD PRO 20 HD2 PRO 20 0.371 -3.584 9.061 164 2HD PRO 20 HD1 PRO 20 1.574 -2.330 8.693 165 H MET 21 HN MET 21 0.184 -5.997 7.424 166 HA MET 21 HA MET 21 0.528 -8.453 6.052 167 1HB MET 21 HB2 MET 21 -1.232 -7.526 7.832 168 2HB MET 21 HB1 MET 21 -2.159 -7.207 6.375 169 1HG MET 21 HG2 MET 21 -2.931 -9.266 6.837 170 2HG MET 21 HG1 MET 21 -1.530 -9.729 5.870 171 1HE MET 21 HE1 MET 21 1.028 -10.911 8.551 172 2HE MET 21 HE2 MET 21 0.942 -9.316 7.805 173 3HE MET 21 HE3 MET 21 0.665 -10.760 6.831 174 H TRP 22 HN TRP 22 -0.925 -5.344 5.221 175 HA TRP 22 HA TRP 22 -1.908 -5.809 2.703 176 1HB TRP 22 HB2 TRP 22 -2.147 -3.731 4.007 177 2HB TRP 22 HB1 TRP 22 -0.461 -3.350 3.723 178 HD1 TRP 22 HD1 TRP 22 -3.797 -3.631 1.811 179 HE1 TRP 22 HE1 TRP 22 -3.654 -2.105 -0.257 180 HE3 TRP 22 HE3 TRP 22 1.103 -2.200 2.191 181 HZ2 TRP 22 HZ2 TRP 22 -1.729 -0.525 -1.565 182 HZ3 TRP 22 HZ3 TRP 22 2.015 -0.679 0.474 183 HH2 TRP 22 HH2 TRP 22 0.626 0.143 -1.355 184 H LEU 23 HN LEU 23 1.377 -5.206 3.736 185 HA LEU 23 HA LEU 23 2.507 -5.098 1.111 186 1HB LEU 23 HB2 LEU 23 3.685 -5.430 3.870 187 2HB LEU 23 HB1 LEU 23 4.651 -5.342 2.417 188 HG LEU 23 HG LEU 23 2.771 -3.160 3.296 189 1HD1 LEU 23 HD11 LEU 23 5.085 -2.042 3.761 190 2HD1 LEU 23 HD12 LEU 23 5.624 -3.710 3.973 191 3HD1 LEU 23 HD13 LEU 23 4.324 -3.064 4.976 192 1HD2 LEU 23 HD21 LEU 23 3.856 -1.816 1.657 193 2HD2 LEU 23 HD22 LEU 23 3.377 -3.323 0.872 194 3HD2 LEU 23 HD23 LEU 23 5.058 -3.067 1.340 195 H LYS 24 HN LYS 24 1.780 -7.625 3.423 196 HA LYS 24 HA LYS 24 3.502 -9.614 2.598 197 1HB LYS 24 HB2 LYS 24 1.305 -9.444 4.294 198 2HB LYS 24 HB1 LYS 24 0.809 -10.616 3.090 199 1HG LYS 24 HG2 LYS 24 3.400 -10.792 4.590 200 2HG LYS 24 HG1 LYS 24 1.901 -11.531 5.155 201 1HD LYS 24 HD2 LYS 24 2.757 -13.293 4.018 202 2HD LYS 24 HD1 LYS 24 1.907 -12.511 2.688 203 1HE LYS 24 HE2 LYS 24 4.031 -11.325 2.133 204 2HE LYS 24 HE1 LYS 24 4.840 -12.311 3.351 205 1HZ LYS 24 HZ1 LYS 24 5.099 -13.228 1.122 206 2HZ LYS 24 HZ2 LYS 24 3.421 -13.366 0.964 207 3HZ LYS 24 HZ3 LYS 24 4.240 -14.290 2.119 208 H SER 25 HN SER 25 0.448 -8.521 1.220 209 HA SER 25 HA SER 25 0.374 -10.506 -0.835 210 1HB SER 25 HB2 SER 25 -1.159 -7.986 -0.250 211 2HB SER 25 HB1 SER 25 -1.285 -8.723 -1.850 212 HG SER 25 HG SER 25 -1.522 -10.602 0.056 213 H LEU 26 HN LEU 26 1.969 -7.534 -0.342 214 HA LEU 26 HA LEU 26 2.698 -7.219 -3.132 215 1HB LEU 26 HB2 LEU 26 2.734 -5.529 -0.711 216 2HB LEU 26 HB1 LEU 26 3.997 -5.235 -1.906 217 HG LEU 26 HG LEU 26 1.994 -5.421 -3.524 218 1HD1 LEU 26 HD11 LEU 26 0.728 -5.037 -0.930 219 2HD1 LEU 26 HD12 LEU 26 0.122 -5.766 -2.422 220 3HD1 LEU 26 HD13 LEU 26 0.138 -4.011 -2.238 221 1HD2 LEU 26 HD21 LEU 26 3.587 -3.453 -2.952 222 2HD2 LEU 26 HD22 LEU 26 2.196 -2.819 -2.071 223 3HD2 LEU 26 HD23 LEU 26 2.079 -3.123 -3.802 224 H ARG 27 HN ARG 27 3.644 -9.059 -0.771 225 HA ARG 27 HA ARG 27 5.529 -10.160 -0.102 226 1HB ARG 27 HB2 ARG 27 6.661 -9.205 -2.740 227 2HB ARG 27 HB1 ARG 27 7.283 -10.525 -1.758 228 1HG ARG 27 HG2 ARG 27 6.102 -11.688 -3.325 229 2HG ARG 27 HG1 ARG 27 4.864 -11.483 -2.080 230 1HD ARG 27 HD2 ARG 27 4.159 -9.398 -3.295 231 2HD ARG 27 HD1 ARG 27 5.221 -9.896 -4.608 232 HE ARG 27 HE ARG 27 3.562 -11.289 -5.290 233 1HH1 ARG 27 HH11 ARG 27 3.232 -10.850 -1.846 234 2HH1 ARG 27 HH12 ARG 27 1.819 -11.843 -1.727 235 1HH2 ARG 27 HH21 ARG 27 1.700 -12.594 -5.138 236 2HH2 ARG 27 HH22 ARG 27 0.949 -12.833 -3.596 237 H LEU 28 HN LEU 28 5.255 -7.009 -0.087 238 HA LEU 28 HA LEU 28 8.044 -6.349 0.474 239 1HB LEU 28 HB2 LEU 28 5.565 -4.637 0.231 240 2HB LEU 28 HB1 LEU 28 7.141 -3.999 0.667 241 HG LEU 28 HG LEU 28 6.821 -5.558 -1.872 242 1HD1 LEU 28 HD11 LEU 28 6.623 -2.953 -2.672 243 2HD1 LEU 28 HD12 LEU 28 5.574 -2.997 -1.253 244 3HD1 LEU 28 HD13 LEU 28 5.292 -4.106 -2.594 245 1HD2 LEU 28 HD21 LEU 28 9.016 -4.649 -0.758 246 2HD2 LEU 28 HD22 LEU 28 8.509 -3.132 -1.507 247 3HD2 LEU 28 HD23 LEU 28 8.780 -4.562 -2.502 248 H HIS 29 HN HIS 29 6.189 -8.012 2.238 249 HA HIS 29 HA HIS 29 5.616 -6.546 4.564 250 1HB HIS 29 HB2 HIS 29 5.863 -8.758 5.751 251 2HB HIS 29 HB1 HIS 29 4.742 -8.778 4.391 252 HD1 HIS 29 HD1 HIS 29 5.991 -9.624 2.044 253 HD2 HIS 29 HD2 HIS 29 7.603 -10.833 5.679 254 HE1 HIS 29 HE1 HIS 29 7.417 -11.621 1.512 255 HE2 HIS 29 HE2 HIS 29 8.296 -12.402 3.742 256 H LYS 30 HN LYS 30 8.441 -7.334 3.011 257 HA LYS 30 HA LYS 30 10.364 -7.532 5.020 258 1HB LYS 30 HB2 LYS 30 11.806 -6.428 3.163 259 2HB LYS 30 HB1 LYS 30 11.095 -7.993 2.828 260 1HG LYS 30 HG2 LYS 30 9.188 -6.233 1.952 261 2HG LYS 30 HG1 LYS 30 10.693 -5.411 1.566 262 1HD LYS 30 HD2 LYS 30 10.697 -8.262 0.923 263 2HD LYS 30 HD1 LYS 30 9.515 -7.313 0.015 264 1HE LYS 30 HE2 LYS 30 11.323 -5.708 -0.506 265 2HE LYS 30 HE1 LYS 30 12.471 -6.822 0.226 266 1HZ LYS 30 HZ1 LYS 30 11.872 -8.482 -1.408 267 2HZ LYS 30 HZ2 LYS 30 12.369 -7.068 -2.190 268 3HZ LYS 30 HZ3 LYS 30 10.724 -7.447 -2.094 269 H TYR 31 HN TYR 31 8.876 -4.815 3.403 270 HA TYR 31 HA TYR 31 10.175 -2.897 5.186 271 1HB TYR 31 HB2 TYR 31 8.504 -2.426 2.715 272 2HB TYR 31 HB1 TYR 31 9.445 -1.222 3.590 273 HD1 TYR 31 HD1 TYR 31 9.498 -2.717 0.631 274 HD2 TYR 31 HD2 TYR 31 11.971 -2.538 4.090 275 HE1 TYR 31 HE1 TYR 31 11.456 -3.308 -0.734 276 HE2 TYR 31 HE2 TYR 31 13.934 -3.114 2.728 277 HH TYR 31 HH TYR 31 13.870 -3.096 -0.686 278 H SER 32 HN SER 32 8.045 -4.736 5.999 279 HA SER 32 HA SER 32 5.607 -3.317 6.244 280 1HB SER 32 HB2 SER 32 5.004 -5.024 7.896 281 2HB SER 32 HB1 SER 32 5.755 -5.774 6.489 282 HG SER 32 HG SER 32 6.474 -6.374 8.749 283 H ASP 33 HN ASP 33 8.318 -3.859 8.447 284 HA ASP 33 HA ASP 33 7.363 -2.431 10.642 285 1HB ASP 33 HB2 ASP 33 9.469 -3.890 10.428 286 2HB ASP 33 HB1 ASP 33 10.263 -2.442 9.828 287 H ALA 34 HN ALA 34 9.013 -1.348 7.752 288 HA ALA 34 HA ALA 34 9.363 1.363 8.602 289 1HB ALA 34 HB1 ALA 34 10.334 1.742 6.527 290 2HB ALA 34 HB2 ALA 34 9.418 0.448 5.761 291 3HB ALA 34 HB3 ALA 34 10.727 0.060 6.880 292 H LEU 35 HN LEU 35 7.020 -0.327 6.607 293 HA LEU 35 HA LEU 35 5.650 2.167 6.003 294 1HB LEU 35 HB2 LEU 35 5.542 -0.627 4.976 295 2HB LEU 35 HB1 LEU 35 4.149 0.408 4.744 296 HG LEU 35 HG LEU 35 5.119 1.564 3.092 297 1HD1 LEU 35 HD11 LEU 35 7.465 2.290 3.017 298 2HD1 LEU 35 HD12 LEU 35 7.774 1.443 4.531 299 3HD1 LEU 35 HD13 LEU 35 6.642 2.791 4.490 300 1HD2 LEU 35 HD21 LEU 35 5.486 -0.579 2.210 301 2HD2 LEU 35 HD22 LEU 35 6.875 -0.887 3.260 302 3HD2 LEU 35 HD23 LEU 35 6.999 0.284 1.938 303 H SER 36 HN SER 36 5.503 -0.166 8.415 304 HA SER 36 HA SER 36 2.702 -0.441 8.727 305 1HB SER 36 HB2 SER 36 3.238 -1.253 11.010 306 2HB SER 36 HB1 SER 36 4.230 -2.030 9.777 307 HG SER 36 HG SER 36 5.395 0.233 10.704 308 H GLY 37 HN GLY 37 5.091 1.734 10.191 309 1HA GLY 37 HA2 GLY 37 3.441 3.031 12.023 310 2HA GLY 37 HA1 GLY 37 4.843 3.757 11.251 311 H THR 38 HN THR 38 3.229 3.035 8.653 312 HA THR 38 HA THR 38 1.594 5.480 8.694 313 HB THR 38 HB THR 38 3.033 4.263 6.316 314 HG1 THR 38 HG1 THR 38 4.174 5.506 8.193 315 1HG2 THR 38 HG21 THR 38 0.829 5.732 6.144 316 2HG2 THR 38 HG22 THR 38 2.169 5.938 5.016 317 3HG2 THR 38 HG23 THR 38 1.981 7.049 6.374 318 HA PRO 39 HA PRO 39 -1.811 2.665 7.839 319 1HB PRO 39 HB2 PRO 39 -3.675 4.518 7.216 320 2HB PRO 39 HB1 PRO 39 -3.143 4.246 8.879 321 1HG PRO 39 HG2 PRO 39 -2.183 6.297 6.917 322 2HG PRO 39 HG1 PRO 39 -2.725 6.548 8.586 323 1HD PRO 39 HD2 PRO 39 -0.129 6.408 8.029 324 2HD PRO 39 HD1 PRO 39 -0.775 5.602 9.476 325 H TRP 40 HN TRP 40 -3.563 2.553 5.978 326 HA TRP 40 HA TRP 40 -2.104 2.452 3.529 327 1HB TRP 40 HB2 TRP 40 -4.090 1.573 2.506 328 2HB TRP 40 HB1 TRP 40 -3.911 0.829 4.084 329 HD1 TRP 40 HD1 TRP 40 -5.661 1.673 6.019 330 HE1 TRP 40 HE1 TRP 40 -8.068 2.556 5.792 331 HE3 TRP 40 HE3 TRP 40 -5.628 2.924 1.048 332 HZ2 TRP 40 HZ2 TRP 40 -9.726 3.650 3.799 333 HZ3 TRP 40 HZ3 TRP 40 -7.668 3.894 0.071 334 HH2 TRP 40 HH2 TRP 40 -9.672 4.243 1.417 335 H ILE 41 HN ILE 41 -4.826 4.431 4.683 336 HA ILE 41 HA ILE 41 -5.276 5.953 2.442 337 HB ILE 41 HB ILE 41 -6.467 6.024 4.733 338 1HG1 ILE 41 HG12 ILE 41 -6.562 8.773 4.070 339 2HG1 ILE 41 HG11 ILE 41 -6.257 7.903 2.566 340 1HG2 ILE 41 HG21 ILE 41 -4.640 8.365 5.197 341 2HG2 ILE 41 HG22 ILE 41 -4.336 6.777 5.902 342 3HG2 ILE 41 HG23 ILE 41 -5.815 7.652 6.304 343 1HD1 ILE 41 HD11 ILE 41 -8.505 7.325 4.485 344 2HD1 ILE 41 HD12 ILE 41 -8.220 6.539 2.932 345 3HD1 ILE 41 HD13 ILE 41 -8.643 8.251 2.990 346 H GLU 42 HN GLU 42 -2.556 6.009 4.580 347 HA GLU 42 HA GLU 42 -1.578 8.507 3.397 348 1HB GLU 42 HB2 GLU 42 -0.657 6.882 5.767 349 2HB GLU 42 HB1 GLU 42 0.271 8.228 5.119 350 1HG GLU 42 HG2 GLU 42 -2.550 8.420 6.148 351 2HG GLU 42 HG1 GLU 42 -1.104 8.837 7.068 352 H LEU 43 HN LEU 43 -0.869 5.096 3.736 353 HA LEU 43 HA LEU 43 1.627 4.932 2.511 354 1HB LEU 43 HB2 LEU 43 -0.440 3.170 3.321 355 2HB LEU 43 HB1 LEU 43 -0.003 2.735 1.686 356 HG LEU 43 HG LEU 43 1.245 1.381 3.249 357 1HD1 LEU 43 HD11 LEU 43 3.578 2.044 2.600 358 2HD1 LEU 43 HD12 LEU 43 2.873 3.462 1.827 359 3HD1 LEU 43 HD13 LEU 43 2.441 1.846 1.270 360 1HD2 LEU 43 HD21 LEU 43 2.045 2.127 5.176 361 2HD2 LEU 43 HD22 LEU 43 1.283 3.677 4.820 362 3HD2 LEU 43 HD23 LEU 43 2.965 3.398 4.371 363 H ILE 44 HN ILE 44 -1.544 4.357 1.105 364 HA ILE 44 HA ILE 44 -0.840 4.248 -1.564 365 HB ILE 44 HB ILE 44 -3.176 4.537 -2.046 366 1HG1 ILE 44 HG12 ILE 44 -3.665 5.327 0.823 367 2HG1 ILE 44 HG11 ILE 44 -3.380 6.531 -0.416 368 1HG2 ILE 44 HG21 ILE 44 -4.129 3.001 -0.196 369 2HG2 ILE 44 HG22 ILE 44 -2.481 2.999 0.430 370 3HG2 ILE 44 HG23 ILE 44 -2.808 2.406 -1.200 371 1HD1 ILE 44 HD11 ILE 44 -5.799 5.832 0.255 372 2HD1 ILE 44 HD12 ILE 44 -5.496 4.488 -0.846 373 3HD1 ILE 44 HD13 ILE 44 -5.394 6.147 -1.429 374 H TYR 45 HN TYR 45 -0.720 6.897 0.502 375 HA TYR 45 HA TYR 45 -1.005 8.809 -1.715 376 1HB TYR 45 HB2 TYR 45 -1.386 9.023 1.236 377 2HB TYR 45 HB1 TYR 45 -0.884 10.459 0.354 378 HD1 TYR 45 HD1 TYR 45 -3.037 8.064 -1.379 379 HD2 TYR 45 HD2 TYR 45 -2.976 11.543 1.076 380 HE1 TYR 45 HE1 TYR 45 -5.389 8.509 -1.957 381 HE2 TYR 45 HE2 TYR 45 -5.319 11.998 0.497 382 HH TYR 45 HH TYR 45 -6.908 11.462 -1.317 383 H LEU 46 HN LEU 46 1.330 7.237 0.171 384 HA LEU 46 HA LEU 46 3.310 9.227 0.404 385 1HB LEU 46 HB2 LEU 46 3.780 6.279 -0.020 386 2HB LEU 46 HB1 LEU 46 4.897 7.423 0.672 387 HG LEU 46 HG LEU 46 2.357 6.420 1.929 388 1HD1 LEU 46 HD11 LEU 46 4.001 5.623 3.653 389 2HD1 LEU 46 HD12 LEU 46 5.287 6.044 2.514 390 3HD1 LEU 46 HD13 LEU 46 4.096 4.809 2.091 391 1HD2 LEU 46 HD21 LEU 46 3.965 8.808 2.471 392 2HD2 LEU 46 HD22 LEU 46 3.685 7.775 3.874 393 3HD2 LEU 46 HD23 LEU 46 2.316 8.414 2.959 394 H ASP 47 HN ASP 47 5.553 8.168 -0.767 395 HA ASP 47 HA ASP 47 5.128 7.882 -3.614 396 1HB ASP 47 HB2 ASP 47 6.534 10.305 -2.470 397 2HB ASP 47 HB1 ASP 47 6.636 9.812 -4.157 398 H ASP 48 HN ASP 48 7.368 7.820 -4.713 399 HA ASP 48 HA ASP 48 8.852 5.711 -3.782 400 1HB ASP 48 HB2 ASP 48 9.380 6.208 -5.964 401 2HB ASP 48 HB1 ASP 48 9.382 7.945 -5.681 402 H GLU 49 HN GLU 49 9.601 9.151 -3.403 403 HA GLU 49 HA GLU 49 11.914 8.932 -1.888 404 1HB GLU 49 HB2 GLU 49 11.168 11.057 -2.809 405 2HB GLU 49 HB1 GLU 49 9.781 11.061 -1.730 406 1HG GLU 49 HG2 GLU 49 11.315 11.172 0.205 407 2HG GLU 49 HG1 GLU 49 12.676 11.243 -0.918 408 H THR 50 HN THR 50 8.622 9.502 -0.593 409 HA THR 50 HA THR 50 9.213 9.415 2.086 410 HB THR 50 HB THR 50 6.717 8.261 0.835 411 HG1 THR 50 HG1 THR 50 7.350 10.922 1.649 412 1HG2 THR 50 HG21 THR 50 6.989 7.684 3.201 413 2HG2 THR 50 HG22 THR 50 5.681 8.852 2.980 414 3HG2 THR 50 HG23 THR 50 7.246 9.389 3.587 415 H LEU 51 HN LEU 51 8.332 6.655 0.022 416 HA LEU 51 HA LEU 51 8.348 4.632 1.895 417 1HB LEU 51 HB2 LEU 51 9.110 4.717 -1.004 418 2HB LEU 51 HB1 LEU 51 9.201 3.218 -0.096 419 HG LEU 51 HG LEU 51 6.662 4.812 -0.128 420 1HD1 LEU 51 HD11 LEU 51 5.903 3.764 -2.087 421 2HD1 LEU 51 HD12 LEU 51 7.276 2.665 -2.129 422 3HD1 LEU 51 HD13 LEU 51 7.509 4.376 -2.481 423 1HD2 LEU 51 HD21 LEU 51 7.383 1.923 0.308 424 2HD2 LEU 51 HD22 LEU 51 5.726 2.496 0.135 425 3HD2 LEU 51 HD23 LEU 51 6.717 3.061 1.479 426 H GLU 52 HN GLU 52 11.077 6.159 0.275 427 HA GLU 52 HA GLU 52 13.070 4.404 1.296 428 1HB GLU 52 HB2 GLU 52 13.155 6.182 -0.635 429 2HB GLU 52 HB1 GLU 52 13.602 7.289 0.662 430 1HG GLU 52 HG2 GLU 52 15.494 5.835 1.229 431 2HG GLU 52 HG1 GLU 52 15.063 4.768 -0.107 432 H LYS 53 HN LYS 53 11.627 7.412 2.287 433 HA LYS 53 HA LYS 53 13.260 7.987 4.504 434 1HB LYS 53 HB2 LYS 53 10.352 8.722 4.183 435 2HB LYS 53 HB1 LYS 53 11.569 9.564 5.134 436 1HG LYS 53 HG2 LYS 53 11.889 9.234 2.181 437 2HG LYS 53 HG1 LYS 53 10.901 10.535 2.849 438 1HD LYS 53 HD2 LYS 53 13.755 10.046 3.677 439 2HD LYS 53 HD1 LYS 53 13.313 11.111 2.339 440 1HE LYS 53 HE2 LYS 53 11.835 11.558 4.824 441 2HE LYS 53 HE1 LYS 53 13.562 11.900 4.926 442 1HZ LYS 53 HZ1 LYS 53 11.682 13.041 2.927 443 2HZ LYS 53 HZ2 LYS 53 13.338 13.377 3.024 444 3HZ LYS 53 HZ3 LYS 53 12.303 13.857 4.273 445 H LYS 54 HN LYS 54 10.619 5.762 4.066 446 HA LYS 54 HA LYS 54 10.023 5.398 6.849 447 1HB LYS 54 HB2 LYS 54 9.486 3.268 4.821 448 2HB LYS 54 HB1 LYS 54 8.479 3.804 6.153 449 1HG LYS 54 HG2 LYS 54 8.964 5.337 3.614 450 2HG LYS 54 HG1 LYS 54 7.541 4.367 3.947 451 1HD LYS 54 HD2 LYS 54 8.405 6.778 5.533 452 2HD LYS 54 HD1 LYS 54 7.165 6.757 4.297 453 1HE LYS 54 HE2 LYS 54 5.913 6.564 6.197 454 2HE LYS 54 HE1 LYS 54 6.106 4.883 5.700 455 1HZ LYS 54 HZ1 LYS 54 7.755 6.256 7.759 456 2HZ LYS 54 HZ2 LYS 54 7.875 4.631 7.311 457 3HZ LYS 54 HZ3 LYS 54 6.481 5.191 8.083 458 H GLY 55 HN GLY 55 11.371 3.197 4.440 459 1HA GLY 55 HA2 GLY 55 13.744 2.531 5.618 460 2HA GLY 55 HA1 GLY 55 12.562 1.488 6.397 461 H VAL 56 HN VAL 56 11.779 2.331 3.189 462 HA VAL 56 HA VAL 56 11.924 -0.325 2.272 463 HB VAL 56 HB VAL 56 11.491 2.275 0.824 464 1HG1 VAL 56 HG11 VAL 56 11.699 1.293 -1.151 465 2HG1 VAL 56 HG12 VAL 56 10.591 0.012 -0.669 466 3HG1 VAL 56 HG13 VAL 56 12.314 -0.145 -0.337 467 1HG2 VAL 56 HG21 VAL 56 9.172 1.240 0.557 468 2HG2 VAL 56 HG22 VAL 56 9.595 1.797 2.179 469 3HG2 VAL 56 HG23 VAL 56 9.672 0.075 1.779 470 H LEU 57 HN LEU 57 13.573 2.440 0.955 471 HA LEU 57 HA LEU 57 15.694 2.830 0.217 472 1HB LEU 57 HB2 LEU 57 16.243 0.367 1.838 473 2HB LEU 57 HB1 LEU 57 17.505 1.292 1.056 474 HG LEU 57 HG LEU 57 17.662 2.571 2.876 475 1HD1 LEU 57 HD11 LEU 57 15.799 4.000 3.619 476 2HD1 LEU 57 HD12 LEU 57 14.726 3.121 2.527 477 3HD1 LEU 57 HD13 LEU 57 16.060 4.075 1.875 478 1HD2 LEU 57 HD21 LEU 57 16.955 0.553 4.062 479 2HD2 LEU 57 HD22 LEU 57 15.275 1.075 3.928 480 3HD2 LEU 57 HD23 LEU 57 16.417 2.016 4.888 481 H ALA 58 HN ALA 58 13.794 1.062 -1.276 482 HA ALA 58 HA ALA 58 15.812 -0.149 -3.048 483 1HB ALA 58 HB1 ALA 58 14.698 -2.121 -3.229 484 2HB ALA 58 HB2 ALA 58 13.138 -1.374 -2.894 485 3HB ALA 58 HB3 ALA 58 14.254 -1.702 -1.571 486 H LEU 59 HN LEU 59 15.824 1.237 -4.704 487 HA LEU 59 HA LEU 59 13.774 2.826 -5.633 488 1HB LEU 59 HB2 LEU 59 16.182 1.611 -6.919 489 2HB LEU 59 HB1 LEU 59 14.983 2.355 -7.958 490 HG LEU 59 HG LEU 59 16.836 3.878 -7.416 491 1HD1 LEU 59 HD11 LEU 59 15.432 5.778 -6.646 492 2HD1 LEU 59 HD12 LEU 59 14.134 4.627 -6.324 493 3HD1 LEU 59 HD13 LEU 59 14.722 4.853 -7.971 494 1HD2 LEU 59 HD21 LEU 59 17.066 4.774 -5.157 495 2HD2 LEU 59 HD22 LEU 59 17.360 3.035 -5.183 496 3HD2 LEU 59 HD23 LEU 59 15.825 3.659 -4.582 497 H GLY 60 HN GLY 60 14.363 -0.552 -6.048 498 1HA GLY 60 HA2 GLY 60 12.447 -0.961 -8.121 499 2HA GLY 60 HA1 GLY 60 13.215 -2.207 -7.156 500 H ALA 61 HN ALA 61 12.427 -1.349 -4.604 501 HA ALA 61 HA ALA 61 9.799 -2.449 -4.509 502 1HB ALA 61 HB1 ALA 61 10.027 -2.455 -2.178 503 2HB ALA 61 HB2 ALA 61 11.234 -1.170 -2.199 504 3HB ALA 61 HB3 ALA 61 11.639 -2.779 -2.810 505 H ARG 62 HN ARG 62 11.069 0.749 -3.513 506 HA ARG 62 HA ARG 62 8.558 1.728 -2.755 507 1HB ARG 62 HB2 ARG 62 9.625 3.938 -2.727 508 2HB ARG 62 HB1 ARG 62 10.572 2.717 -1.910 509 1HG ARG 62 HG2 ARG 62 11.920 2.531 -4.041 510 2HG ARG 62 HG1 ARG 62 11.110 4.016 -4.547 511 1HD ARG 62 HD2 ARG 62 11.881 5.055 -2.404 512 2HD ARG 62 HD1 ARG 62 12.839 3.609 -2.114 513 HE ARG 62 HE ARG 62 13.917 4.218 -4.342 514 1HH1 ARG 62 HH11 ARG 62 12.588 6.573 -2.144 515 2HH1 ARG 62 HH12 ARG 62 13.701 7.818 -2.600 516 1HH2 ARG 62 HH21 ARG 62 15.398 5.858 -4.936 517 2HH2 ARG 62 HH22 ARG 62 15.294 7.413 -4.185 518 H ARG 63 HN ARG 63 10.437 2.662 -5.633 519 HA ARG 63 HA ARG 63 8.513 4.185 -6.867 520 1HB ARG 63 HB2 ARG 63 10.528 2.321 -8.121 521 2HB ARG 63 HB1 ARG 63 9.554 3.452 -9.046 522 1HG ARG 63 HG2 ARG 63 10.546 5.314 -7.816 523 2HG ARG 63 HG1 ARG 63 11.529 4.175 -6.892 524 1HD ARG 63 HD2 ARG 63 12.756 5.222 -8.769 525 2HD ARG 63 HD1 ARG 63 12.671 3.465 -8.887 526 HE ARG 63 HE ARG 63 10.594 4.856 -10.319 527 1HH1 ARG 63 HH11 ARG 63 13.823 3.560 -10.459 528 2HH1 ARG 63 HH12 ARG 63 13.822 3.397 -12.183 529 1HH2 ARG 63 HH21 ARG 63 10.579 4.642 -12.587 530 2HH2 ARG 63 HH22 ARG 63 11.976 4.012 -13.394 531 H LYS 64 HN LYS 64 8.663 0.764 -6.425 532 HA LYS 64 HA LYS 64 6.655 0.085 -8.379 533 1HB LYS 64 HB2 LYS 64 8.436 -1.489 -7.691 534 2HB LYS 64 HB1 LYS 64 7.751 -1.526 -6.067 535 1HG LYS 64 HG2 LYS 64 6.892 -3.445 -7.007 536 2HG LYS 64 HG1 LYS 64 5.589 -2.290 -7.294 537 1HD LYS 64 HD2 LYS 64 5.865 -3.425 -9.338 538 2HD LYS 64 HD1 LYS 64 6.674 -1.872 -9.560 539 1HE LYS 64 HE2 LYS 64 8.822 -3.002 -8.956 540 2HE LYS 64 HE1 LYS 64 7.956 -4.537 -8.980 541 1HZ LYS 64 HZ1 LYS 64 7.344 -4.024 -11.316 542 2HZ LYS 64 HZ2 LYS 64 9.004 -4.241 -11.078 543 3HZ LYS 64 HZ3 LYS 64 8.374 -2.682 -11.258 544 H LEU 65 HN LEU 65 6.778 0.478 -4.862 545 HA LEU 65 HA LEU 65 4.206 -0.359 -4.246 546 1HB LEU 65 HB2 LEU 65 6.200 1.423 -2.986 547 2HB LEU 65 HB1 LEU 65 4.544 1.587 -2.428 548 HG LEU 65 HG LEU 65 5.375 -1.189 -2.570 549 1HD1 LEU 65 HD11 LEU 65 7.103 0.764 -1.153 550 2HD1 LEU 65 HD12 LEU 65 7.520 -0.750 -1.957 551 3HD1 LEU 65 HD13 LEU 65 6.756 -0.776 -0.369 552 1HD2 LEU 65 HD21 LEU 65 4.495 -1.184 -0.279 553 2HD2 LEU 65 HD22 LEU 65 3.378 -0.441 -1.423 554 3HD2 LEU 65 HD23 LEU 65 4.347 0.572 -0.352 555 H LEU 66 HN LEU 66 5.316 2.492 -5.820 556 HA LEU 66 HA LEU 66 3.138 4.199 -5.343 557 1HB LEU 66 HB2 LEU 66 5.238 4.017 -7.461 558 2HB LEU 66 HB1 LEU 66 3.884 5.108 -7.693 559 HG LEU 66 HG LEU 66 5.321 5.292 -5.103 560 1HD1 LEU 66 HD11 LEU 66 6.548 5.889 -7.747 561 2HD1 LEU 66 HD12 LEU 66 7.290 5.283 -6.264 562 3HD1 LEU 66 HD13 LEU 66 6.850 6.986 -6.400 563 1HD2 LEU 66 HD21 LEU 66 4.855 7.665 -5.422 564 2HD2 LEU 66 HD22 LEU 66 3.390 6.699 -5.597 565 3HD2 LEU 66 HD23 LEU 66 4.208 7.329 -7.028 566 H LYS 67 HN LYS 67 3.461 1.369 -7.247 567 HA LYS 67 HA LYS 67 1.263 1.922 -9.025 568 1HB LYS 67 HB2 LYS 67 3.142 0.314 -9.541 569 2HB LYS 67 HB1 LYS 67 2.428 -0.779 -8.357 570 1HG LYS 67 HG2 LYS 67 0.452 -1.017 -9.637 571 2HG LYS 67 HG1 LYS 67 0.911 0.296 -10.719 572 1HD LYS 67 HD2 LYS 67 1.357 -1.697 -11.892 573 2HD LYS 67 HD1 LYS 67 2.912 -1.098 -11.319 574 1HE LYS 67 HE2 LYS 67 2.968 -2.682 -9.544 575 2HE LYS 67 HE1 LYS 67 1.297 -3.155 -9.845 576 1HZ LYS 67 HZ1 LYS 67 3.572 -3.600 -11.704 577 2HZ LYS 67 HZ2 LYS 67 1.971 -4.075 -11.970 578 3HZ LYS 67 HZ3 LYS 67 2.866 -4.780 -10.718 579 H ALA 68 HN ALA 68 1.831 0.224 -6.015 580 HA ALA 68 HA ALA 68 -0.789 -0.885 -5.788 581 1HB ALA 68 HB1 ALA 68 -0.121 -1.271 -3.406 582 2HB ALA 68 HB2 ALA 68 1.400 -0.443 -3.755 583 3HB ALA 68 HB3 ALA 68 0.993 -1.941 -4.596 584 H PHE 69 HN PHE 69 0.774 2.075 -4.781 585 HA PHE 69 HA PHE 69 -1.113 3.029 -2.970 586 1HB PHE 69 HB2 PHE 69 0.717 4.503 -4.874 587 2HB PHE 69 HB1 PHE 69 -0.212 5.285 -3.611 588 HD1 PHE 69 HD1 PHE 69 0.549 2.393 -2.025 589 HD2 PHE 69 HD2 PHE 69 2.537 5.820 -3.588 590 HE1 PHE 69 HE1 PHE 69 2.402 2.040 -0.447 591 HE2 PHE 69 HE2 PHE 69 4.388 5.470 -2.007 592 HZ PHE 69 HZ PHE 69 4.325 3.579 -0.423 593 H GLY 70 HN GLY 70 -0.965 3.206 -6.490 594 1HA GLY 70 HA2 GLY 70 -3.214 4.950 -6.740 595 2HA GLY 70 HA1 GLY 70 -2.433 4.077 -8.045 596 H ILE 71 HN ILE 71 -2.811 1.462 -7.343 597 HA ILE 71 HA ILE 71 -5.393 0.933 -8.214 598 HB ILE 71 HB ILE 71 -3.695 -0.901 -6.515 599 1HG1 ILE 71 HG12 ILE 71 -3.778 -0.959 -9.508 600 2HG1 ILE 71 HG11 ILE 71 -2.740 0.211 -8.700 601 1HG2 ILE 71 HG21 ILE 71 -5.760 -1.599 -8.597 602 2HG2 ILE 71 HG22 ILE 71 -6.091 -1.559 -6.865 603 3HG2 ILE 71 HG23 ILE 71 -4.913 -2.702 -7.512 604 1HD1 ILE 71 HD11 ILE 71 -2.632 -2.740 -8.165 605 2HD1 ILE 71 HD12 ILE 71 -1.478 -1.500 -7.664 606 3HD1 ILE 71 HD13 ILE 71 -1.636 -1.923 -9.370 607 H VAL 72 HN VAL 72 -4.145 1.312 -4.950 608 HA VAL 72 HA VAL 72 -6.542 0.441 -3.641 609 HB VAL 72 HB VAL 72 -4.341 2.213 -2.566 610 1HG1 VAL 72 HG11 VAL 72 -5.160 1.599 -0.365 611 2HG1 VAL 72 HG12 VAL 72 -6.434 0.626 -1.083 612 3HG1 VAL 72 HG13 VAL 72 -6.437 2.372 -1.299 613 1HG2 VAL 72 HG21 VAL 72 -3.678 -0.098 -3.376 614 2HG2 VAL 72 HG22 VAL 72 -4.666 -0.734 -2.063 615 3HG2 VAL 72 HG23 VAL 72 -3.284 0.300 -1.706 616 H ILE 73 HN ILE 73 -5.136 3.577 -4.461 617 HA ILE 73 HA ILE 73 -7.026 5.254 -3.315 618 HB ILE 73 HB ILE 73 -5.179 5.555 -5.660 619 1HG1 ILE 73 HG12 ILE 73 -5.363 7.057 -3.046 620 2HG1 ILE 73 HG11 ILE 73 -4.367 5.628 -3.287 621 1HG2 ILE 73 HG21 ILE 73 -5.870 8.048 -5.525 622 2HG2 ILE 73 HG22 ILE 73 -7.365 7.415 -4.838 623 3HG2 ILE 73 HG23 ILE 73 -6.865 6.928 -6.454 624 1HD1 ILE 73 HD11 ILE 73 -4.033 7.993 -5.074 625 2HD1 ILE 73 HD12 ILE 73 -2.873 6.736 -4.637 626 3HD1 ILE 73 HD13 ILE 73 -3.311 7.978 -3.465 627 H ASP 74 HN ASP 74 -6.897 4.234 -6.732 628 HA ASP 74 HA ASP 74 -9.248 5.374 -7.604 629 1HB ASP 74 HB2 ASP 74 -7.459 4.088 -8.942 630 2HB ASP 74 HB1 ASP 74 -8.363 2.638 -8.523 631 H TYR 75 HN TYR 75 -8.881 2.005 -6.418 632 HA TYR 75 HA TYR 75 -11.628 1.405 -6.466 633 1HB TYR 75 HB2 TYR 75 -9.312 0.245 -4.921 634 2HB TYR 75 HB1 TYR 75 -10.950 -0.392 -4.776 635 HD1 TYR 75 HD1 TYR 75 -11.939 -0.215 -7.515 636 HD2 TYR 75 HD2 TYR 75 -8.104 -1.383 -6.108 637 HE1 TYR 75 HE1 TYR 75 -11.616 -1.547 -9.548 638 HE2 TYR 75 HE2 TYR 75 -7.764 -2.721 -8.142 639 HH TYR 75 HH TYR 75 -9.153 -3.837 -9.868 640 H LYS 76 HN LYS 76 -9.618 3.032 -4.140 641 HA LYS 76 HA LYS 76 -11.501 3.085 -2.010 642 1HB LYS 76 HB2 LYS 76 -9.316 3.564 -1.329 643 2HB LYS 76 HB1 LYS 76 -9.001 4.579 -2.718 644 1HG LYS 76 HG2 LYS 76 -11.048 5.822 -1.205 645 2HG LYS 76 HG1 LYS 76 -9.761 5.335 -0.099 646 1HD LYS 76 HD2 LYS 76 -8.498 6.386 -2.382 647 2HD LYS 76 HD1 LYS 76 -9.803 7.502 -1.975 648 1HE LYS 76 HE2 LYS 76 -7.678 6.507 -0.075 649 2HE LYS 76 HE1 LYS 76 -7.694 8.088 -0.859 650 1HZ LYS 76 HZ1 LYS 76 -9.869 8.482 0.251 651 2HZ LYS 76 HZ2 LYS 76 -8.561 8.350 1.315 652 3HZ LYS 76 HZ3 LYS 76 -9.634 7.055 1.131 653 H GLU 77 HN GLU 77 -10.847 4.988 -4.835 654 HA GLU 77 HA GLU 77 -12.574 7.172 -4.234 655 1HB GLU 77 HB2 GLU 77 -11.095 6.208 -6.665 656 2HB GLU 77 HB1 GLU 77 -12.216 7.546 -6.776 657 1HG GLU 77 HG2 GLU 77 -10.366 7.861 -4.575 658 2HG GLU 77 HG1 GLU 77 -9.543 7.681 -6.123 659 H ARG 78 HN ARG 78 -12.911 4.056 -5.738 660 HA ARG 78 HA ARG 78 -15.516 4.690 -6.869 661 1HB ARG 78 HB2 ARG 78 -13.721 2.280 -6.943 662 2HB ARG 78 HB1 ARG 78 -15.384 2.193 -7.495 663 1HG ARG 78 HG2 ARG 78 -14.877 4.052 -9.080 664 2HG ARG 78 HG1 ARG 78 -13.183 3.916 -8.602 665 1HD ARG 78 HD2 ARG 78 -13.544 2.672 -10.637 666 2HD ARG 78 HD1 ARG 78 -13.205 1.554 -9.314 667 HE ARG 78 HE ARG 78 -15.727 1.291 -9.228 668 1HH1 ARG 78 HH11 ARG 78 -14.000 2.075 -12.150 669 2HH1 ARG 78 HH12 ARG 78 -15.180 1.354 -13.194 670 1HH2 ARG 78 HH21 ARG 78 -17.286 0.336 -10.594 671 2HH2 ARG 78 HH22 ARG 78 -17.048 0.366 -12.310 672 H ASP 79 HN ASP 79 -14.706 4.356 -3.874 673 HA ASP 79 HA ASP 79 -15.673 3.618 -1.953 674 1HB ASP 79 HB2 ASP 79 -17.655 4.724 -3.051 675 2HB ASP 79 HB1 ASP 79 -18.132 3.138 -3.649 676 H LEU 80 HN LEU 80 -14.379 1.732 -3.849 677 HA LEU 80 HA LEU 80 -15.774 -0.768 -3.530 678 1HB LEU 80 HB2 LEU 80 -13.588 0.231 -5.105 679 2HB LEU 80 HB1 LEU 80 -13.099 -1.244 -4.301 680 HG LEU 80 HG LEU 80 -15.473 -2.052 -5.243 681 1HD1 LEU 80 HD11 LEU 80 -15.864 -1.151 -7.451 682 2HD1 LEU 80 HD12 LEU 80 -14.498 -0.049 -7.269 683 3HD1 LEU 80 HD13 LEU 80 -15.932 0.148 -6.259 684 1HD2 LEU 80 HD21 LEU 80 -13.233 -3.060 -5.609 685 2HD2 LEU 80 HD22 LEU 80 -12.994 -1.918 -6.930 686 3HD2 LEU 80 HD23 LEU 80 -14.278 -3.118 -7.029 687 H ILE 81 HN ILE 81 -13.806 1.128 -1.619 688 HA ILE 81 HA ILE 81 -12.907 -1.163 0.007 689 HB ILE 81 HB ILE 81 -11.879 1.678 -0.077 690 1HG1 ILE 81 HG12 ILE 81 -10.547 -0.931 -0.828 691 2HG1 ILE 81 HG11 ILE 81 -11.220 0.219 -1.977 692 1HG2 ILE 81 HG21 ILE 81 -10.842 -0.623 1.576 693 2HG2 ILE 81 HG22 ILE 81 -11.867 0.666 2.209 694 3HG2 ILE 81 HG23 ILE 81 -10.260 1.042 1.580 695 1HD1 ILE 81 HD11 ILE 81 -9.013 0.884 -0.050 696 2HD1 ILE 81 HD12 ILE 81 -9.586 1.850 -1.409 697 3HD1 ILE 81 HD13 ILE 81 -8.750 0.326 -1.701 698 H ASP 82 HN ASP 82 -13.655 -1.379 2.047 699 HA ASP 82 HA ASP 82 -15.981 -0.081 2.863 700 1HB ASP 82 HB2 ASP 82 -14.884 -2.311 3.673 701 2HB ASP 82 HB1 ASP 82 -14.090 -1.276 4.857 702 H ARG 83 HN ARG 83 -16.396 1.693 4.037 703 HA ARG 83 HA ARG 83 -14.444 3.695 4.293 704 1HB ARG 83 HB2 ARG 83 -17.219 3.413 5.438 705 2HB ARG 83 HB1 ARG 83 -16.224 4.834 5.726 706 1HG ARG 83 HG2 ARG 83 -17.010 3.823 3.000 707 2HG ARG 83 HG1 ARG 83 -17.835 5.115 3.873 708 1HD ARG 83 HD2 ARG 83 -15.932 6.521 3.777 709 2HD ARG 83 HD1 ARG 83 -14.894 5.200 3.246 710 HE ARG 83 HE ARG 83 -15.608 5.539 1.092 711 1HH1 ARG 83 HH11 ARG 83 -17.695 7.271 3.285 712 2HH1 ARG 83 HH12 ARG 83 -18.516 8.132 2.025 713 1HH2 ARG 83 HH21 ARG 83 -16.684 6.669 -0.569 714 2HH2 ARG 83 HH22 ARG 83 -17.942 7.788 -0.164 715 H SER 84 HN SER 84 -15.063 0.985 6.182 716 HA SER 84 HA SER 84 -14.420 1.959 8.758 717 1HB SER 84 HB2 SER 84 -14.104 -0.809 7.564 718 2HB SER 84 HB1 SER 84 -13.899 -0.434 9.275 719 HG SER 84 HG SER 84 -16.041 -1.209 8.562 720 H ALA 85 HN ALA 85 -12.499 0.673 6.093 721 HA ALA 85 HA ALA 85 -10.010 0.553 7.374 722 1HB ALA 85 HB1 ALA 85 -9.071 0.824 5.050 723 2HB ALA 85 HB2 ALA 85 -10.730 1.032 4.483 724 3HB ALA 85 HB3 ALA 85 -10.238 -0.480 5.242 725 H TYR 86 HN TYR 86 -11.582 3.141 5.573 726 HA TYR 86 HA TYR 86 -9.683 5.083 5.446 727 1HB TYR 86 HB2 TYR 86 -12.611 5.375 6.122 728 2HB TYR 86 HB1 TYR 86 -11.565 6.745 5.792 729 HD1 TYR 86 HD1 TYR 86 -12.164 3.429 4.191 730 HD2 TYR 86 HD2 TYR 86 -11.891 7.637 3.699 731 HE1 TYR 86 HE1 TYR 86 -12.627 3.166 1.791 732 HE2 TYR 86 HE2 TYR 86 -12.352 7.393 1.296 733 HH TYR 86 HH TYR 86 -13.467 4.463 -0.066 Start of MODEL 20 1 1H SER 1 HT1 SER 1 8.639 -9.690 -5.684 2 2H SER 1 HT2 SER 1 8.718 -9.230 -7.311 3 3H SER 1 HT3 SER 1 10.141 -9.519 -6.443 4 HA SER 1 HA SER 1 9.639 -11.352 -7.921 5 1HB SER 1 HB2 SER 1 10.835 -11.805 -5.824 6 2HB SER 1 HB1 SER 1 9.298 -12.006 -4.982 7 HG SER 1 HG SER 1 10.546 -13.682 -6.849 8 H ASN 2 HN ASN 2 7.109 -10.763 -5.513 9 HA ASN 2 HA ASN 2 5.200 -12.069 -7.320 10 1HB ASN 2 HB2 ASN 2 5.866 -13.604 -5.429 11 2HB ASN 2 HB1 ASN 2 5.144 -12.442 -4.321 12 1HD2 ASN 2 HD21 ASN 2 3.621 -13.922 -3.611 13 2HD2 ASN 2 HD22 ASN 2 2.276 -14.402 -4.585 14 H SER 3 HN SER 3 5.934 -9.252 -6.599 15 HA SER 3 HA SER 3 3.582 -8.272 -5.212 16 1HB SER 3 HB2 SER 3 4.609 -6.035 -5.562 17 2HB SER 3 HB1 SER 3 5.705 -7.166 -4.770 18 HG SER 3 HG SER 3 6.692 -7.510 -6.806 19 H SER 4 HN SER 4 2.123 -9.202 -6.852 20 HA SER 4 HA SER 4 2.069 -7.912 -9.446 21 1HB SER 4 HB2 SER 4 0.237 -9.954 -8.169 22 2HB SER 4 HB1 SER 4 0.050 -9.345 -9.813 23 HG SER 4 HG SER 4 1.301 -11.023 -10.196 24 H MET 5 HN MET 5 1.215 -6.910 -6.493 25 HA MET 5 HA MET 5 -0.196 -5.352 -5.638 26 1HB MET 5 HB2 MET 5 -0.009 -4.600 -8.517 27 2HB MET 5 HB1 MET 5 -1.184 -3.772 -7.503 28 1HG MET 5 HG2 MET 5 0.933 -2.559 -7.653 29 2HG MET 5 HG1 MET 5 0.557 -3.048 -6.003 30 1HE MET 5 HE1 MET 5 4.300 -3.346 -5.672 31 2HE MET 5 HE2 MET 5 2.838 -2.396 -5.399 32 3HE MET 5 HE3 MET 5 3.729 -2.229 -6.911 33 H ASN 6 HN ASN 6 -1.474 -7.516 -5.419 34 HA ASN 6 HA ASN 6 -3.728 -8.081 -6.951 35 1HB ASN 6 HB2 ASN 6 -3.433 -8.489 -3.965 36 2HB ASN 6 HB1 ASN 6 -4.507 -9.368 -5.051 37 1HD2 ASN 6 HD21 ASN 6 -3.596 -10.803 -6.583 38 2HD2 ASN 6 HD22 ASN 6 -2.033 -11.494 -6.326 39 HA PRO 7 HA PRO 7 -6.002 -4.299 -5.838 40 1HB PRO 7 HB2 PRO 7 -8.107 -4.784 -7.522 41 2HB PRO 7 HB1 PRO 7 -6.605 -3.997 -8.014 42 1HG PRO 7 HG2 PRO 7 -7.486 -6.812 -8.408 43 2HG PRO 7 HG1 PRO 7 -6.577 -5.756 -9.499 44 1HD PRO 7 HD2 PRO 7 -5.413 -7.712 -8.018 45 2HD PRO 7 HD1 PRO 7 -4.576 -6.224 -8.483 46 H LYS 8 HN LYS 8 -6.716 -7.580 -5.374 47 HA LYS 8 HA LYS 8 -9.322 -7.178 -4.217 48 1HB LYS 8 HB2 LYS 8 -7.482 -9.562 -3.918 49 2HB LYS 8 HB1 LYS 8 -9.200 -9.514 -3.546 50 1HG LYS 8 HG2 LYS 8 -9.282 -10.510 -5.582 51 2HG LYS 8 HG1 LYS 8 -9.366 -8.821 -6.088 52 1HD LYS 8 HD2 LYS 8 -6.697 -9.154 -6.006 53 2HD LYS 8 HD1 LYS 8 -7.198 -10.798 -6.412 54 1HE LYS 8 HE2 LYS 8 -7.941 -8.282 -7.890 55 2HE LYS 8 HE1 LYS 8 -6.781 -9.499 -8.426 56 1HZ LYS 8 HZ1 LYS 8 -8.584 -11.115 -8.508 57 2HZ LYS 8 HZ2 LYS 8 -8.914 -9.793 -9.510 58 3HZ LYS 8 HZ3 LYS 8 -9.692 -9.936 -8.014 59 H SER 9 HN SER 9 -6.064 -7.839 -3.041 60 HA SER 9 HA SER 9 -6.777 -7.558 -0.283 61 1HB SER 9 HB2 SER 9 -4.132 -7.799 -1.720 62 2HB SER 9 HB1 SER 9 -4.258 -7.654 0.030 63 HG SER 9 HG SER 9 -4.825 -9.672 0.131 64 H LEU 10 HN LEU 10 -5.197 -5.536 -2.706 65 HA LEU 10 HA LEU 10 -4.402 -3.460 -1.007 66 1HB LEU 10 HB2 LEU 10 -5.223 -3.259 -3.898 67 2HB LEU 10 HB1 LEU 10 -4.261 -2.098 -3.015 68 HG LEU 10 HG LEU 10 -3.387 -4.932 -3.508 69 1HD1 LEU 10 HD11 LEU 10 -3.700 -3.569 -5.594 70 2HD1 LEU 10 HD12 LEU 10 -2.065 -4.152 -5.303 71 3HD1 LEU 10 HD13 LEU 10 -2.470 -2.471 -4.968 72 1HD2 LEU 10 HD21 LEU 10 -2.312 -2.620 -2.063 73 2HD2 LEU 10 HD22 LEU 10 -1.172 -3.438 -3.122 74 3HD2 LEU 10 HD23 LEU 10 -1.992 -4.341 -1.850 75 H THR 11 HN THR 11 -7.520 -4.464 -1.750 76 HA THR 11 HA THR 11 -8.542 -1.807 -0.966 77 HB THR 11 HB THR 11 -10.340 -1.909 -2.474 78 HG1 THR 11 HG1 THR 11 -9.800 -4.643 -2.440 79 1HG2 THR 11 HG21 THR 11 -8.114 -1.452 -3.555 80 2HG2 THR 11 HG22 THR 11 -9.328 -2.115 -4.649 81 3HG2 THR 11 HG23 THR 11 -8.057 -3.152 -4.011 82 H ASP 12 HN ASP 12 -7.972 -4.486 0.409 83 HA ASP 12 HA ASP 12 -10.658 -4.914 1.528 84 1HB ASP 12 HB2 ASP 12 -9.580 -6.916 0.502 85 2HB ASP 12 HB1 ASP 12 -8.263 -6.758 1.659 86 HA PRO 13 HA PRO 13 -9.046 -2.351 4.849 87 1HB PRO 13 HB2 PRO 13 -11.296 -3.835 6.179 88 2HB PRO 13 HB1 PRO 13 -10.833 -2.132 6.332 89 1HG PRO 13 HG2 PRO 13 -12.842 -2.788 4.756 90 2HG PRO 13 HG1 PRO 13 -11.647 -1.581 4.215 91 1HD PRO 13 HD2 PRO 13 -11.982 -4.441 3.388 92 2HD PRO 13 HD1 PRO 13 -11.452 -3.045 2.434 93 H LYS 14 HN LYS 14 -9.390 -5.823 4.870 94 HA LYS 14 HA LYS 14 -8.348 -6.367 7.427 95 1HB LYS 14 HB2 LYS 14 -9.311 -7.951 5.518 96 2HB LYS 14 HB1 LYS 14 -7.604 -8.129 5.137 97 1HG LYS 14 HG2 LYS 14 -8.906 -8.735 7.786 98 2HG LYS 14 HG1 LYS 14 -8.357 -9.914 6.595 99 1HD LYS 14 HD2 LYS 14 -6.587 -7.939 8.043 100 2HD LYS 14 HD1 LYS 14 -6.764 -9.647 8.456 101 1HE LYS 14 HE2 LYS 14 -5.706 -8.523 5.869 102 2HE LYS 14 HE1 LYS 14 -4.754 -9.288 7.140 103 1HZ LYS 14 HZ1 LYS 14 -6.877 -10.624 5.547 104 2HZ LYS 14 HZ2 LYS 14 -5.930 -11.354 6.743 105 3HZ LYS 14 HZ3 LYS 14 -5.212 -10.810 5.311 106 H LEU 15 HN LEU 15 -6.732 -6.161 4.282 107 HA LEU 15 HA LEU 15 -4.095 -6.242 5.363 108 1HB LEU 15 HB2 LEU 15 -5.168 -5.437 2.669 109 2HB LEU 15 HB1 LEU 15 -3.473 -5.486 3.039 110 HG LEU 15 HG LEU 15 -4.046 -7.466 1.831 111 1HD1 LEU 15 HD11 LEU 15 -3.844 -9.012 4.152 112 2HD1 LEU 15 HD12 LEU 15 -3.044 -7.479 4.514 113 3HD1 LEU 15 HD13 LEU 15 -2.530 -8.439 3.123 114 1HD2 LEU 15 HD21 LEU 15 -5.714 -9.042 2.564 115 2HD2 LEU 15 HD22 LEU 15 -6.457 -7.453 2.373 116 3HD2 LEU 15 HD23 LEU 15 -6.070 -8.059 3.984 117 H LEU 16 HN LEU 16 -6.163 -3.737 4.010 118 HA LEU 16 HA LEU 16 -4.473 -1.579 4.067 119 1HB LEU 16 HB2 LEU 16 -7.394 -1.432 4.790 120 2HB LEU 16 HB1 LEU 16 -6.430 -0.231 3.959 121 HG LEU 16 HG LEU 16 -7.054 -2.934 2.796 122 1HD1 LEU 16 HD11 LEU 16 -8.891 -2.102 1.705 123 2HD1 LEU 16 HD12 LEU 16 -8.365 -0.431 1.863 124 3HD1 LEU 16 HD13 LEU 16 -9.019 -1.281 3.261 125 1HD2 LEU 16 HD21 LEU 16 -5.037 -1.459 2.058 126 2HD2 LEU 16 HD22 LEU 16 -6.278 -0.507 1.240 127 3HD2 LEU 16 HD23 LEU 16 -6.074 -2.213 0.849 128 H LYS 17 HN LYS 17 -6.641 -2.629 6.709 129 HA LYS 17 HA LYS 17 -5.746 -0.650 8.537 130 1HB LYS 17 HB2 LYS 17 -7.083 -3.315 9.041 131 2HB LYS 17 HB1 LYS 17 -6.833 -2.079 10.262 132 1HG LYS 17 HG2 LYS 17 -8.323 -0.587 9.164 133 2HG LYS 17 HG1 LYS 17 -8.418 -1.639 7.748 134 1HD LYS 17 HD2 LYS 17 -9.505 -3.362 9.072 135 2HD LYS 17 HD1 LYS 17 -9.353 -2.368 10.523 136 1HE LYS 17 HE2 LYS 17 -10.779 -0.672 9.510 137 2HE LYS 17 HE1 LYS 17 -10.928 -1.653 8.054 138 1HZ LYS 17 HZ1 LYS 17 -11.934 -3.405 9.454 139 2HZ LYS 17 HZ2 LYS 17 -12.850 -1.984 9.409 140 3HZ LYS 17 HZ3 LYS 17 -11.912 -2.341 10.770 141 H ASN 18 HN ASN 18 -4.551 -3.713 7.531 142 HA ASN 18 HA ASN 18 -2.490 -3.683 9.642 143 1HB ASN 18 HB2 ASN 18 -4.167 -5.738 9.079 144 2HB ASN 18 HB1 ASN 18 -2.876 -6.099 7.958 145 1HD2 ASN 18 HD21 ASN 18 -0.708 -6.263 8.873 146 2HD2 ASN 18 HD22 ASN 18 -0.560 -6.935 10.448 147 H ILE 19 HN ILE 19 -1.635 -1.954 8.061 148 HA ILE 19 HA ILE 19 -0.832 -2.289 5.521 149 HB ILE 19 HB ILE 19 0.626 -0.948 7.772 150 1HG1 ILE 19 HG12 ILE 19 -1.423 0.121 6.987 151 2HG1 ILE 19 HG11 ILE 19 -0.030 1.081 6.516 152 1HG2 ILE 19 HG21 ILE 19 1.471 -0.586 4.922 153 2HG2 ILE 19 HG22 ILE 19 2.182 -1.855 5.911 154 3HG2 ILE 19 HG23 ILE 19 2.331 -0.172 6.400 155 1HD1 ILE 19 HD11 ILE 19 -1.274 1.124 4.602 156 2HD1 ILE 19 HD12 ILE 19 -1.874 -0.520 4.809 157 3HD1 ILE 19 HD13 ILE 19 -0.214 -0.244 4.281 158 HA PRO 20 HA PRO 20 3.263 -4.709 7.059 159 1HB PRO 20 HB2 PRO 20 1.599 -6.242 9.032 160 2HB PRO 20 HB1 PRO 20 3.342 -5.909 9.061 161 1HG PRO 20 HG2 PRO 20 1.708 -4.506 10.595 162 2HG PRO 20 HG1 PRO 20 3.035 -3.699 9.743 163 1HD PRO 20 HD2 PRO 20 0.115 -3.664 9.168 164 2HD PRO 20 HD1 PRO 20 1.336 -2.405 8.897 165 H MET 21 HN MET 21 0.055 -6.118 7.501 166 HA MET 21 HA MET 21 0.532 -8.487 6.023 167 1HB MET 21 HB2 MET 21 -1.512 -7.339 7.616 168 2HB MET 21 HB1 MET 21 -2.253 -7.814 6.102 169 1HG MET 21 HG2 MET 21 -2.511 -9.658 7.481 170 2HG MET 21 HG1 MET 21 -1.117 -10.074 6.486 171 1HE MET 21 HE1 MET 21 1.820 -10.184 8.874 172 2HE MET 21 HE2 MET 21 1.469 -8.964 7.649 173 3HE MET 21 HE3 MET 21 1.127 -10.664 7.324 174 H TRP 22 HN TRP 22 -0.998 -5.391 5.265 175 HA TRP 22 HA TRP 22 -1.896 -5.809 2.712 176 1HB TRP 22 HB2 TRP 22 -2.206 -3.756 4.056 177 2HB TRP 22 HB1 TRP 22 -0.525 -3.334 3.801 178 HD1 TRP 22 HD1 TRP 22 -3.819 -3.691 1.828 179 HE1 TRP 22 HE1 TRP 22 -3.681 -2.154 -0.229 180 HE3 TRP 22 HE3 TRP 22 1.034 -2.121 2.305 181 HZ2 TRP 22 HZ2 TRP 22 -1.784 -0.515 -1.497 182 HZ3 TRP 22 HZ3 TRP 22 1.931 -0.573 0.599 183 HH2 TRP 22 HH2 TRP 22 0.550 0.216 -1.247 184 H LEU 23 HN LEU 23 1.354 -5.147 3.837 185 HA LEU 23 HA LEU 23 2.527 -4.924 1.255 186 1HB LEU 23 HB2 LEU 23 3.641 -5.319 4.022 187 2HB LEU 23 HB1 LEU 23 4.658 -5.231 2.602 188 HG LEU 23 HG LEU 23 2.774 -3.042 3.459 189 1HD1 LEU 23 HD11 LEU 23 5.235 -2.023 3.817 190 2HD1 LEU 23 HD12 LEU 23 5.527 -3.704 4.269 191 3HD1 LEU 23 HD13 LEU 23 4.284 -2.767 5.100 192 1HD2 LEU 23 HD21 LEU 23 3.866 -1.696 1.827 193 2HD2 LEU 23 HD22 LEU 23 3.377 -3.194 1.033 194 3HD2 LEU 23 HD23 LEU 23 5.060 -2.953 1.504 195 H LYS 24 HN LYS 24 1.807 -7.568 3.414 196 HA LYS 24 HA LYS 24 3.573 -9.496 2.532 197 1HB LYS 24 HB2 LYS 24 1.358 -9.417 4.210 198 2HB LYS 24 HB1 LYS 24 0.900 -10.560 2.965 199 1HG LYS 24 HG2 LYS 24 3.485 -10.731 4.475 200 2HG LYS 24 HG1 LYS 24 1.998 -11.510 5.016 201 1HD LYS 24 HD2 LYS 24 2.892 -13.224 3.834 202 2HD LYS 24 HD1 LYS 24 2.021 -12.425 2.529 203 1HE LYS 24 HE2 LYS 24 4.101 -11.190 1.975 204 2HE LYS 24 HE1 LYS 24 4.948 -12.146 3.192 205 1HZ LYS 24 HZ1 LYS 24 3.588 -13.224 0.779 206 2HZ LYS 24 HZ2 LYS 24 4.382 -14.148 1.952 207 3HZ LYS 24 HZ3 LYS 24 5.260 -13.071 0.988 208 H SER 25 HN SER 25 0.452 -8.499 1.182 209 HA SER 25 HA SER 25 0.459 -10.424 -0.919 210 1HB SER 25 HB2 SER 25 -1.109 -7.874 -0.480 211 2HB SER 25 HB1 SER 25 -1.323 -8.887 -1.908 212 HG SER 25 HG SER 25 -1.596 -9.786 0.769 213 H LEU 26 HN LEU 26 2.157 -7.575 -0.366 214 HA LEU 26 HA LEU 26 2.818 -7.260 -3.220 215 1HB LEU 26 HB2 LEU 26 3.377 -5.276 -1.023 216 2HB LEU 26 HB1 LEU 26 3.453 -5.009 -2.755 217 HG LEU 26 HG LEU 26 0.909 -5.611 -1.263 218 1HD1 LEU 26 HD11 LEU 26 0.419 -3.205 -1.541 219 2HD1 LEU 26 HD12 LEU 26 2.065 -2.960 -2.131 220 3HD1 LEU 26 HD13 LEU 26 1.791 -3.503 -0.475 221 1HD2 LEU 26 HD21 LEU 26 0.279 -4.271 -3.559 222 2HD2 LEU 26 HD22 LEU 26 0.212 -6.019 -3.348 223 3HD2 LEU 26 HD23 LEU 26 1.635 -5.273 -4.074 224 H ARG 27 HN ARG 27 3.830 -9.067 -0.968 225 HA ARG 27 HA ARG 27 5.749 -9.864 -0.068 226 1HB ARG 27 HB2 ARG 27 7.594 -10.224 -1.690 227 2HB ARG 27 HB1 ARG 27 6.022 -10.759 -2.255 228 1HG ARG 27 HG2 ARG 27 6.873 -9.754 -4.118 229 2HG ARG 27 HG1 ARG 27 5.948 -8.437 -3.411 230 1HD ARG 27 HD2 ARG 27 8.053 -7.641 -2.328 231 2HD ARG 27 HD1 ARG 27 8.923 -8.876 -3.233 232 HE ARG 27 HE ARG 27 7.359 -6.800 -4.611 233 1HH1 ARG 27 HH11 ARG 27 10.351 -8.500 -4.061 234 2HH1 ARG 27 HH12 ARG 27 11.183 -7.716 -5.361 235 1HH2 ARG 27 HH21 ARG 27 8.447 -5.763 -6.323 236 2HH2 ARG 27 HH22 ARG 27 10.101 -6.163 -6.649 237 H LEU 28 HN LEU 28 5.348 -6.860 0.096 238 HA LEU 28 HA LEU 28 8.158 -6.054 0.561 239 1HB LEU 28 HB2 LEU 28 5.614 -4.431 0.274 240 2HB LEU 28 HB1 LEU 28 7.158 -3.740 0.733 241 HG LEU 28 HG LEU 28 7.100 -5.331 -1.769 242 1HD1 LEU 28 HD11 LEU 28 6.425 -2.955 -2.795 243 2HD1 LEU 28 HD12 LEU 28 5.451 -2.926 -1.323 244 3HD1 LEU 28 HD13 LEU 28 5.262 -4.242 -2.482 245 1HD2 LEU 28 HD21 LEU 28 8.976 -3.857 -0.549 246 2HD2 LEU 28 HD22 LEU 28 8.275 -2.626 -1.602 247 3HD2 LEU 28 HD23 LEU 28 8.919 -4.115 -2.291 248 H HIS 29 HN HIS 29 6.298 -7.773 2.272 249 HA HIS 29 HA HIS 29 5.657 -6.338 4.602 250 1HB HIS 29 HB2 HIS 29 5.893 -8.559 5.765 251 2HB HIS 29 HB1 HIS 29 4.815 -8.587 4.370 252 HD1 HIS 29 HD1 HIS 29 5.985 -9.528 2.094 253 HD2 HIS 29 HD2 HIS 29 7.851 -10.453 5.690 254 HE1 HIS 29 HE1 HIS 29 7.529 -11.440 1.573 255 HE2 HIS 29 HE2 HIS 29 8.601 -12.028 3.779 256 H LYS 30 HN LYS 30 8.487 -7.138 3.094 257 HA LYS 30 HA LYS 30 10.409 -7.357 5.093 258 1HB LYS 30 HB2 LYS 30 11.831 -6.205 3.208 259 2HB LYS 30 HB1 LYS 30 11.183 -7.811 2.937 260 1HG LYS 30 HG2 LYS 30 9.443 -6.943 1.573 261 2HG LYS 30 HG1 LYS 30 9.828 -5.287 2.039 262 1HD LYS 30 HD2 LYS 30 11.623 -5.173 0.665 263 2HD LYS 30 HD1 LYS 30 11.990 -6.893 0.795 264 1HE LYS 30 HE2 LYS 30 9.854 -7.244 -0.556 265 2HE LYS 30 HE1 LYS 30 9.932 -5.523 -0.903 266 1HZ LYS 30 HZ1 LYS 30 12.116 -5.846 -1.872 267 2HZ LYS 30 HZ2 LYS 30 10.976 -6.825 -2.647 268 3HZ LYS 30 HZ3 LYS 30 12.053 -7.502 -1.531 269 H TYR 31 HN TYR 31 8.783 -4.669 3.638 270 HA TYR 31 HA TYR 31 10.215 -2.742 5.311 271 1HB TYR 31 HB2 TYR 31 8.516 -2.412 2.837 272 2HB TYR 31 HB1 TYR 31 9.189 -1.066 3.757 273 HD1 TYR 31 HD1 TYR 31 9.613 -2.685 0.861 274 HD2 TYR 31 HD2 TYR 31 11.888 -1.761 4.331 275 HE1 TYR 31 HE1 TYR 31 11.689 -2.901 -0.447 276 HE2 TYR 31 HE2 TYR 31 13.968 -1.964 3.034 277 HH TYR 31 HH TYR 31 14.762 -3.058 0.990 278 H SER 32 HN SER 32 7.903 -4.626 5.999 279 HA SER 32 HA SER 32 5.573 -3.134 6.399 280 1HB SER 32 HB2 SER 32 6.714 -5.554 7.774 281 2HB SER 32 HB1 SER 32 5.221 -4.811 8.348 282 HG SER 32 HG SER 32 5.071 -5.088 5.706 283 H ASP 33 HN ASP 33 8.373 -3.664 8.488 284 HA ASP 33 HA ASP 33 7.483 -2.262 10.709 285 1HB ASP 33 HB2 ASP 33 10.298 -2.538 9.642 286 2HB ASP 33 HB1 ASP 33 9.858 -2.090 11.275 287 H ALA 34 HN ALA 34 9.146 -1.130 7.807 288 HA ALA 34 HA ALA 34 9.384 1.578 8.732 289 1HB ALA 34 HB1 ALA 34 10.416 2.046 6.663 290 2HB ALA 34 HB2 ALA 34 9.713 0.618 5.905 291 3HB ALA 34 HB3 ALA 34 10.962 0.439 7.140 292 H LEU 35 HN LEU 35 6.988 -0.222 7.025 293 HA LEU 35 HA LEU 35 5.666 2.263 6.187 294 1HB LEU 35 HB2 LEU 35 5.687 -0.527 5.168 295 2HB LEU 35 HB1 LEU 35 4.224 0.409 4.945 296 HG LEU 35 HG LEU 35 5.108 1.651 3.298 297 1HD1 LEU 35 HD11 LEU 35 7.454 2.439 3.183 298 2HD1 LEU 35 HD12 LEU 35 7.771 1.634 4.718 299 3HD1 LEU 35 HD13 LEU 35 6.603 2.949 4.638 300 1HD2 LEU 35 HD21 LEU 35 5.533 -0.457 2.382 301 2HD2 LEU 35 HD22 LEU 35 6.942 -0.737 3.411 302 3HD2 LEU 35 HD23 LEU 35 7.017 0.451 2.101 303 H SER 36 HN SER 36 5.517 -0.023 8.629 304 HA SER 36 HA SER 36 2.715 -0.365 8.878 305 1HB SER 36 HB2 SER 36 4.299 -1.888 9.981 306 2HB SER 36 HB1 SER 36 4.861 -0.570 11.009 307 HG SER 36 HG SER 36 3.028 -0.634 12.131 308 H GLY 37 HN GLY 37 5.022 1.852 10.429 309 1HA GLY 37 HA2 GLY 37 3.308 3.150 12.182 310 2HA GLY 37 HA1 GLY 37 4.706 3.899 11.425 311 H THR 38 HN THR 38 3.192 3.136 8.797 312 HA THR 38 HA THR 38 1.493 5.535 8.782 313 HB THR 38 HB THR 38 2.953 4.304 6.434 314 HG1 THR 38 HG1 THR 38 3.555 6.738 7.780 315 1HG2 THR 38 HG21 THR 38 0.751 5.758 6.230 316 2HG2 THR 38 HG22 THR 38 2.106 5.987 5.122 317 3HG2 THR 38 HG23 THR 38 1.885 7.087 6.483 318 HA PRO 39 HA PRO 39 -1.840 2.632 7.944 319 1HB PRO 39 HB2 PRO 39 -3.741 4.431 7.283 320 2HB PRO 39 HB1 PRO 39 -3.216 4.196 8.955 321 1HG PRO 39 HG2 PRO 39 -2.287 6.239 6.970 322 2HG PRO 39 HG1 PRO 39 -2.851 6.504 8.629 323 1HD PRO 39 HD2 PRO 39 -0.247 6.414 8.103 324 2HD PRO 39 HD1 PRO 39 -0.890 5.613 9.553 325 H TRP 40 HN TRP 40 -3.565 2.466 6.059 326 HA TRP 40 HA TRP 40 -2.057 2.386 3.639 327 1HB TRP 40 HB2 TRP 40 -4.046 1.490 2.582 328 2HB TRP 40 HB1 TRP 40 -3.772 0.691 4.118 329 HD1 TRP 40 HD1 TRP 40 -5.495 1.416 6.165 330 HE1 TRP 40 HE1 TRP 40 -7.959 2.171 6.024 331 HE3 TRP 40 HE3 TRP 40 -5.678 2.738 1.226 332 HZ2 TRP 40 HZ2 TRP 40 -9.721 3.219 4.102 333 HZ3 TRP 40 HZ3 TRP 40 -7.795 3.622 0.325 334 HH2 TRP 40 HH2 TRP 40 -9.753 3.857 1.728 335 H ILE 41 HN ILE 41 -4.853 4.306 4.721 336 HA ILE 41 HA ILE 41 -5.280 5.799 2.450 337 HB ILE 41 HB ILE 41 -6.547 5.862 4.694 338 1HG1 ILE 41 HG12 ILE 41 -6.893 8.519 4.134 339 2HG1 ILE 41 HG11 ILE 41 -6.150 7.939 2.642 340 1HG2 ILE 41 HG21 ILE 41 -4.779 8.235 5.217 341 2HG2 ILE 41 HG22 ILE 41 -4.466 6.654 5.931 342 3HG2 ILE 41 HG23 ILE 41 -5.974 7.500 6.285 343 1HD1 ILE 41 HD11 ILE 41 -8.719 7.051 3.911 344 2HD1 ILE 41 HD12 ILE 41 -7.914 6.122 2.645 345 3HD1 ILE 41 HD13 ILE 41 -8.465 7.767 2.320 346 H GLU 42 HN GLU 42 -2.619 5.947 4.665 347 HA GLU 42 HA GLU 42 -1.689 8.470 3.503 348 1HB GLU 42 HB2 GLU 42 -0.758 6.861 5.878 349 2HB GLU 42 HB1 GLU 42 0.132 8.242 5.256 350 1HG GLU 42 HG2 GLU 42 -2.672 8.264 6.347 351 2HG GLU 42 HG1 GLU 42 -1.230 8.891 7.142 352 H LEU 43 HN LEU 43 -0.902 5.081 3.820 353 HA LEU 43 HA LEU 43 1.623 4.994 2.646 354 1HB LEU 43 HB2 LEU 43 -0.417 3.181 3.397 355 2HB LEU 43 HB1 LEU 43 0.044 2.778 1.759 356 HG LEU 43 HG LEU 43 1.308 1.423 3.300 357 1HD1 LEU 43 HD11 LEU 43 3.638 2.171 2.709 358 2HD1 LEU 43 HD12 LEU 43 2.897 3.573 1.939 359 3HD1 LEU 43 HD13 LEU 43 2.529 1.950 1.359 360 1HD2 LEU 43 HD21 LEU 43 2.073 2.135 5.255 361 2HD2 LEU 43 HD22 LEU 43 1.260 3.668 4.937 362 3HD2 LEU 43 HD23 LEU 43 2.955 3.461 4.498 363 H ILE 44 HN ILE 44 -1.506 4.353 1.192 364 HA ILE 44 HA ILE 44 -0.863 4.267 -1.472 365 HB ILE 44 HB ILE 44 -3.189 4.797 -1.918 366 1HG1 ILE 44 HG12 ILE 44 -3.625 5.388 0.999 367 2HG1 ILE 44 HG11 ILE 44 -3.162 6.673 -0.100 368 1HG2 ILE 44 HG21 ILE 44 -4.223 3.188 -0.196 369 2HG2 ILE 44 HG22 ILE 44 -2.582 3.037 0.437 370 3HG2 ILE 44 HG23 ILE 44 -2.931 2.586 -1.232 371 1HD1 ILE 44 HD11 ILE 44 -5.640 6.217 0.438 372 2HD1 ILE 44 HD12 ILE 44 -5.461 4.929 -0.753 373 3HD1 ILE 44 HD13 ILE 44 -5.148 6.603 -1.208 374 H TYR 45 HN TYR 45 -0.743 6.966 0.605 375 HA TYR 45 HA TYR 45 -0.922 8.843 -1.644 376 1HB TYR 45 HB2 TYR 45 -1.286 9.122 1.304 377 2HB TYR 45 HB1 TYR 45 -0.767 10.528 0.385 378 HD1 TYR 45 HD1 TYR 45 -2.963 8.133 -1.293 379 HD2 TYR 45 HD2 TYR 45 -2.846 11.658 1.099 380 HE1 TYR 45 HE1 TYR 45 -5.315 8.603 -1.877 381 HE2 TYR 45 HE2 TYR 45 -5.185 12.135 0.516 382 HH TYR 45 HH TYR 45 -7.206 9.852 -1.017 383 H LEU 46 HN LEU 46 1.386 7.280 0.326 384 HA LEU 46 HA LEU 46 3.419 9.218 0.435 385 1HB LEU 46 HB2 LEU 46 3.828 6.246 0.113 386 2HB LEU 46 HB1 LEU 46 4.973 7.394 0.748 387 HG LEU 46 HG LEU 46 2.448 6.446 2.077 388 1HD1 LEU 46 HD11 LEU 46 4.098 5.712 3.809 389 2HD1 LEU 46 HD12 LEU 46 5.389 6.125 2.672 390 3HD1 LEU 46 HD13 LEU 46 4.220 4.862 2.269 391 1HD2 LEU 46 HD21 LEU 46 4.102 8.839 2.553 392 2HD2 LEU 46 HD22 LEU 46 3.703 7.872 3.973 393 3HD2 LEU 46 HD23 LEU 46 2.413 8.524 2.959 394 H ASP 47 HN ASP 47 5.623 8.166 -0.734 395 HA ASP 47 HA ASP 47 5.169 7.714 -3.555 396 1HB ASP 47 HB2 ASP 47 6.662 10.177 -2.614 397 2HB ASP 47 HB1 ASP 47 6.537 9.630 -4.282 398 H ASP 48 HN ASP 48 7.383 7.513 -4.681 399 HA ASP 48 HA ASP 48 8.899 5.541 -3.553 400 1HB ASP 48 HB2 ASP 48 10.101 5.690 -5.456 401 2HB ASP 48 HB1 ASP 48 8.926 6.902 -5.925 402 H GLU 49 HN GLU 49 9.508 9.031 -3.458 403 HA GLU 49 HA GLU 49 11.868 9.052 -2.020 404 1HB GLU 49 HB2 GLU 49 10.917 11.089 -2.955 405 2HB GLU 49 HB1 GLU 49 9.574 11.004 -1.825 406 1HG GLU 49 HG2 GLU 49 11.180 11.264 0.050 407 2HG GLU 49 HG1 GLU 49 12.470 11.456 -1.140 408 H THR 50 HN THR 50 8.631 9.544 -0.583 409 HA THR 50 HA THR 50 9.336 9.447 2.065 410 HB THR 50 HB THR 50 6.800 8.346 0.843 411 HG1 THR 50 HG1 THR 50 6.620 10.429 0.400 412 1HG2 THR 50 HG21 THR 50 7.136 7.561 3.134 413 2HG2 THR 50 HG22 THR 50 5.820 8.733 3.055 414 3HG2 THR 50 HG23 THR 50 7.396 9.220 3.673 415 H LEU 51 HN LEU 51 8.354 6.691 0.038 416 HA LEU 51 HA LEU 51 8.492 4.657 1.901 417 1HB LEU 51 HB2 LEU 51 9.112 4.753 -1.040 418 2HB LEU 51 HB1 LEU 51 9.224 3.257 -0.137 419 HG LEU 51 HG LEU 51 6.711 4.913 -0.235 420 1HD1 LEU 51 HD11 LEU 51 5.901 3.393 -1.941 421 2HD1 LEU 51 HD12 LEU 51 7.455 2.559 -1.959 422 3HD1 LEU 51 HD13 LEU 51 7.347 4.233 -2.501 423 1HD2 LEU 51 HD21 LEU 51 6.794 3.393 1.625 424 2HD2 LEU 51 HD22 LEU 51 7.310 2.073 0.577 425 3HD2 LEU 51 HD23 LEU 51 5.688 2.742 0.415 426 H GLU 52 HN GLU 52 11.088 6.132 0.008 427 HA GLU 52 HA GLU 52 13.168 4.437 0.867 428 1HB GLU 52 HB2 GLU 52 13.160 6.180 -1.026 429 2HB GLU 52 HB1 GLU 52 13.506 7.365 0.231 430 1HG GLU 52 HG2 GLU 52 15.536 6.141 0.825 431 2HG GLU 52 HG1 GLU 52 15.197 4.963 -0.442 432 H LYS 53 HN LYS 53 11.871 7.463 2.018 433 HA LYS 53 HA LYS 53 13.632 8.012 4.108 434 1HB LYS 53 HB2 LYS 53 10.683 8.645 4.092 435 2HB LYS 53 HB1 LYS 53 11.958 9.515 4.934 436 1HG LYS 53 HG2 LYS 53 11.994 9.246 1.960 437 2HG LYS 53 HG1 LYS 53 11.030 10.496 2.746 438 1HD LYS 53 HD2 LYS 53 13.960 10.107 3.311 439 2HD LYS 53 HD1 LYS 53 13.375 11.148 2.008 440 1HE LYS 53 HE2 LYS 53 12.119 11.536 4.630 441 2HE LYS 53 HE1 LYS 53 13.818 11.997 4.530 442 1HZ LYS 53 HZ1 LYS 53 11.632 12.979 2.773 443 2HZ LYS 53 HZ2 LYS 53 13.262 13.408 2.632 444 3HZ LYS 53 HZ3 LYS 53 12.385 13.859 4.007 445 H LYS 54 HN LYS 54 10.846 5.855 3.980 446 HA LYS 54 HA LYS 54 10.747 5.374 6.798 447 1HB LYS 54 HB2 LYS 54 9.706 3.411 4.783 448 2HB LYS 54 HB1 LYS 54 9.033 3.874 6.337 449 1HG LYS 54 HG2 LYS 54 9.082 5.652 3.919 450 2HG LYS 54 HG1 LYS 54 7.699 4.676 4.413 451 1HD LYS 54 HD2 LYS 54 8.645 6.180 6.650 452 2HD LYS 54 HD1 LYS 54 8.402 7.266 5.282 453 1HE LYS 54 HE2 LYS 54 6.149 6.813 5.154 454 2HE LYS 54 HE1 LYS 54 6.329 5.226 5.903 455 1HZ LYS 54 HZ1 LYS 54 5.266 7.109 7.258 456 2HZ LYS 54 HZ2 LYS 54 6.840 7.697 7.442 457 3HZ LYS 54 HZ3 LYS 54 6.441 6.156 8.014 458 H GLY 55 HN GLY 55 11.731 3.433 4.015 459 1HA GLY 55 HA2 GLY 55 14.142 2.509 4.980 460 2HA GLY 55 HA1 GLY 55 12.933 1.354 5.532 461 H VAL 56 HN VAL 56 11.403 2.207 2.986 462 HA VAL 56 HA VAL 56 12.265 0.047 1.348 463 HB VAL 56 HB VAL 56 10.492 2.273 0.382 464 1HG1 VAL 56 HG11 VAL 56 9.920 -0.603 -0.041 465 2HG1 VAL 56 HG12 VAL 56 11.280 0.099 -0.909 466 3HG1 VAL 56 HG13 VAL 56 9.663 0.770 -1.110 467 1HG2 VAL 56 HG21 VAL 56 8.639 0.698 1.404 468 2HG2 VAL 56 HG22 VAL 56 9.375 1.981 2.363 469 3HG2 VAL 56 HG23 VAL 56 9.926 0.315 2.547 470 H LEU 57 HN LEU 57 14.495 0.688 1.124 471 HA LEU 57 HA LEU 57 15.193 3.068 -0.315 472 1HB LEU 57 HB2 LEU 57 16.640 0.749 0.857 473 2HB LEU 57 HB1 LEU 57 17.473 1.732 -0.332 474 HG LEU 57 HG LEU 57 17.654 3.538 1.077 475 1HD1 LEU 57 HD11 LEU 57 16.139 3.774 3.128 476 2HD1 LEU 57 HD12 LEU 57 15.124 2.557 2.352 477 3HD1 LEU 57 HD13 LEU 57 15.434 4.090 1.544 478 1HD2 LEU 57 HD21 LEU 57 18.672 1.406 2.064 479 2HD2 LEU 57 HD22 LEU 57 17.338 1.466 3.220 480 3HD2 LEU 57 HD23 LEU 57 18.488 2.801 3.128 481 H ALA 58 HN ALA 58 14.744 -0.317 -1.116 482 HA ALA 58 HA ALA 58 16.058 -0.475 -3.554 483 1HB ALA 58 HB1 ALA 58 14.994 -2.453 -3.832 484 2HB ALA 58 HB2 ALA 58 13.430 -1.791 -3.353 485 3HB ALA 58 HB3 ALA 58 14.627 -2.207 -2.122 486 H LEU 59 HN LEU 59 15.905 0.968 -5.136 487 HA LEU 59 HA LEU 59 13.778 2.632 -5.725 488 1HB LEU 59 HB2 LEU 59 16.030 1.506 -7.340 489 2HB LEU 59 HB1 LEU 59 14.748 2.357 -8.178 490 HG LEU 59 HG LEU 59 16.709 3.780 -7.671 491 1HD1 LEU 59 HD11 LEU 59 15.416 5.655 -6.715 492 2HD1 LEU 59 HD12 LEU 59 14.122 4.521 -6.320 493 3HD1 LEU 59 HD13 LEU 59 14.557 4.813 -8.005 494 1HD2 LEU 59 HD21 LEU 59 17.228 4.437 -5.438 495 2HD2 LEU 59 HD22 LEU 59 17.233 2.676 -5.495 496 3HD2 LEU 59 HD23 LEU 59 15.861 3.530 -4.793 497 H GLY 60 HN GLY 60 14.309 -0.709 -6.392 498 1HA GLY 60 HA2 GLY 60 12.223 -1.001 -8.313 499 2HA GLY 60 HA1 GLY 60 13.068 -2.299 -7.494 500 H ALA 61 HN ALA 61 12.485 -1.569 -4.829 501 HA ALA 61 HA ALA 61 9.899 -2.721 -4.583 502 1HB ALA 61 HB1 ALA 61 10.463 -3.114 -2.436 503 2HB ALA 61 HB2 ALA 61 11.185 -1.525 -2.209 504 3HB ALA 61 HB3 ALA 61 12.077 -2.792 -3.053 505 H ARG 62 HN ARG 62 11.184 0.493 -3.619 506 HA ARG 62 HA ARG 62 8.689 1.393 -2.677 507 1HB ARG 62 HB2 ARG 62 9.704 3.637 -2.665 508 2HB ARG 62 HB1 ARG 62 10.684 2.429 -1.879 509 1HG ARG 62 HG2 ARG 62 12.184 2.343 -3.757 510 2HG ARG 62 HG1 ARG 62 11.160 3.469 -4.652 511 1HD ARG 62 HD2 ARG 62 11.570 5.196 -3.020 512 2HD ARG 62 HD1 ARG 62 12.482 4.089 -2.016 513 HE ARG 62 HE ARG 62 13.922 4.016 -4.243 514 1HH1 ARG 62 HH11 ARG 62 12.487 6.737 -2.602 515 2HH1 ARG 62 HH12 ARG 62 13.727 7.846 -3.079 516 1HH2 ARG 62 HH21 ARG 62 15.569 5.482 -4.866 517 2HH2 ARG 62 HH22 ARG 62 15.475 7.135 -4.362 518 H ARG 63 HN ARG 63 10.423 2.406 -5.615 519 HA ARG 63 HA ARG 63 8.433 3.945 -6.718 520 1HB ARG 63 HB2 ARG 63 10.369 2.122 -8.143 521 2HB ARG 63 HB1 ARG 63 9.364 3.310 -8.958 522 1HG ARG 63 HG2 ARG 63 10.442 5.061 -7.518 523 2HG ARG 63 HG1 ARG 63 11.570 3.815 -6.980 524 1HD ARG 63 HD2 ARG 63 12.526 5.120 -8.800 525 2HD ARG 63 HD1 ARG 63 12.266 3.449 -9.297 526 HE ARG 63 HE ARG 63 10.043 5.074 -9.981 527 1HH1 ARG 63 HH11 ARG 63 13.304 4.307 -10.944 528 2HH1 ARG 63 HH12 ARG 63 13.046 4.719 -12.605 529 1HH2 ARG 63 HH21 ARG 63 9.695 5.617 -12.165 530 2HH2 ARG 63 HH22 ARG 63 10.995 5.463 -13.300 531 H LYS 64 HN LYS 64 8.555 0.503 -6.331 532 HA LYS 64 HA LYS 64 6.498 -0.107 -8.242 533 1HB LYS 64 HB2 LYS 64 8.118 -1.568 -6.262 534 2HB LYS 64 HB1 LYS 64 6.509 -2.225 -6.534 535 1HG LYS 64 HG2 LYS 64 8.540 -1.699 -8.695 536 2HG LYS 64 HG1 LYS 64 8.220 -3.269 -7.958 537 1HD LYS 64 HD2 LYS 64 6.101 -1.640 -9.344 538 2HD LYS 64 HD1 LYS 64 7.089 -2.843 -10.174 539 1HE LYS 64 HE2 LYS 64 6.284 -4.566 -8.639 540 2HE LYS 64 HE1 LYS 64 5.304 -3.365 -7.801 541 1HZ LYS 64 HZ1 LYS 64 3.979 -4.631 -9.364 542 2HZ LYS 64 HZ2 LYS 64 4.996 -4.183 -10.639 543 3HZ LYS 64 HZ3 LYS 64 4.063 -3.013 -9.852 544 H LEU 65 HN LEU 65 6.645 0.323 -4.730 545 HA LEU 65 HA LEU 65 4.037 -0.366 -4.088 546 1HB LEU 65 HB2 LEU 65 6.126 1.337 -2.885 547 2HB LEU 65 HB1 LEU 65 4.487 1.626 -2.333 548 HG LEU 65 HG LEU 65 5.197 -1.200 -2.380 549 1HD1 LEU 65 HD11 LEU 65 6.737 0.685 -0.610 550 2HD1 LEU 65 HD12 LEU 65 7.391 -0.418 -1.820 551 3HD1 LEU 65 HD13 LEU 65 6.629 -1.058 -0.365 552 1HD2 LEU 65 HD21 LEU 65 4.190 -1.128 -0.168 553 2HD2 LEU 65 HD22 LEU 65 3.175 -0.290 -1.343 554 3HD2 LEU 65 HD23 LEU 65 4.174 0.635 -0.219 555 H LEU 66 HN LEU 66 5.315 2.499 -5.586 556 HA LEU 66 HA LEU 66 3.195 4.269 -5.193 557 1HB LEU 66 HB2 LEU 66 5.319 3.964 -7.262 558 2HB LEU 66 HB1 LEU 66 4.005 5.084 -7.573 559 HG LEU 66 HG LEU 66 5.391 5.313 -4.956 560 1HD1 LEU 66 HD11 LEU 66 6.666 5.789 -7.599 561 2HD1 LEU 66 HD12 LEU 66 7.376 5.237 -6.078 562 3HD1 LEU 66 HD13 LEU 66 6.966 6.939 -6.296 563 1HD2 LEU 66 HD21 LEU 66 4.976 7.688 -5.360 564 2HD2 LEU 66 HD22 LEU 66 3.495 6.741 -5.516 565 3HD2 LEU 66 HD23 LEU 66 4.337 7.306 -6.959 566 H LYS 67 HN LYS 67 3.470 1.467 -7.180 567 HA LYS 67 HA LYS 67 1.275 2.130 -8.919 568 1HB LYS 67 HB2 LYS 67 3.346 0.494 -9.249 569 2HB LYS 67 HB1 LYS 67 2.240 -0.668 -8.535 570 1HG LYS 67 HG2 LYS 67 1.357 1.012 -10.842 571 2HG LYS 67 HG1 LYS 67 2.371 -0.405 -11.114 572 1HD LYS 67 HD2 LYS 67 -0.145 -0.568 -9.488 573 2HD LYS 67 HD1 LYS 67 -0.175 -0.696 -11.246 574 1HE LYS 67 HE2 LYS 67 1.380 -2.451 -9.361 575 2HE LYS 67 HE1 LYS 67 -0.092 -2.900 -10.218 576 1HZ LYS 67 HZ1 LYS 67 2.519 -2.220 -11.460 577 2HZ LYS 67 HZ2 LYS 67 1.104 -2.583 -12.312 578 3HZ LYS 67 HZ3 LYS 67 1.838 -3.764 -11.349 579 H ALA 68 HN ALA 68 1.892 0.282 -6.017 580 HA ALA 68 HA ALA 68 -0.711 -0.867 -5.797 581 1HB ALA 68 HB1 ALA 68 -0.005 -1.469 -3.517 582 2HB ALA 68 HB2 ALA 68 1.442 -0.475 -3.707 583 3HB ALA 68 HB3 ALA 68 1.210 -1.904 -4.718 584 H PHE 69 HN PHE 69 0.710 2.159 -5.006 585 HA PHE 69 HA PHE 69 -1.076 2.995 -2.966 586 1HB PHE 69 HB2 PHE 69 0.746 4.484 -4.859 587 2HB PHE 69 HB1 PHE 69 -0.213 5.293 -3.636 588 HD1 PHE 69 HD1 PHE 69 0.505 2.425 -1.986 589 HD2 PHE 69 HD2 PHE 69 2.526 5.830 -3.552 590 HE1 PHE 69 HE1 PHE 69 2.313 2.103 -0.355 591 HE2 PHE 69 HE2 PHE 69 4.336 5.509 -1.920 592 HZ PHE 69 HZ PHE 69 4.229 3.646 -0.312 593 H GLY 70 HN GLY 70 -1.038 3.377 -6.489 594 1HA GLY 70 HA2 GLY 70 -3.279 5.155 -6.540 595 2HA GLY 70 HA1 GLY 70 -2.552 4.367 -7.927 596 H ILE 71 HN ILE 71 -2.917 1.698 -7.235 597 HA ILE 71 HA ILE 71 -5.481 1.182 -8.163 598 HB ILE 71 HB ILE 71 -3.843 -0.656 -6.413 599 1HG1 ILE 71 HG12 ILE 71 -3.806 -0.677 -9.412 600 2HG1 ILE 71 HG11 ILE 71 -2.760 0.431 -8.528 601 1HG2 ILE 71 HG21 ILE 71 -5.854 -1.310 -8.558 602 2HG2 ILE 71 HG22 ILE 71 -6.198 -1.319 -6.830 603 3HG2 ILE 71 HG23 ILE 71 -5.020 -2.447 -7.498 604 1HD1 ILE 71 HD11 ILE 71 -2.799 -2.538 -8.082 605 2HD1 ILE 71 HD12 ILE 71 -1.637 -1.366 -7.457 606 3HD1 ILE 71 HD13 ILE 71 -1.695 -1.718 -9.184 607 H VAL 72 HN VAL 72 -4.306 1.525 -4.870 608 HA VAL 72 HA VAL 72 -6.704 0.611 -3.603 609 HB VAL 72 HB VAL 72 -4.553 2.410 -2.472 610 1HG1 VAL 72 HG11 VAL 72 -5.333 1.742 -0.309 611 2HG1 VAL 72 HG12 VAL 72 -6.493 0.624 -1.016 612 3HG1 VAL 72 HG13 VAL 72 -6.704 2.360 -1.228 613 1HG2 VAL 72 HG21 VAL 72 -3.860 0.115 -3.411 614 2HG2 VAL 72 HG22 VAL 72 -4.718 -0.550 -2.022 615 3HG2 VAL 72 HG23 VAL 72 -3.356 0.542 -1.777 616 H ILE 73 HN ILE 73 -5.353 3.753 -4.427 617 HA ILE 73 HA ILE 73 -7.256 5.401 -3.228 618 HB ILE 73 HB ILE 73 -5.419 5.768 -5.580 619 1HG1 ILE 73 HG12 ILE 73 -5.486 7.140 -2.892 620 2HG1 ILE 73 HG11 ILE 73 -4.560 5.679 -3.214 621 1HG2 ILE 73 HG21 ILE 73 -6.074 8.281 -5.189 622 2HG2 ILE 73 HG22 ILE 73 -7.585 7.564 -4.632 623 3HG2 ILE 73 HG23 ILE 73 -7.018 7.255 -6.271 624 1HD1 ILE 73 HD11 ILE 73 -4.156 8.095 -4.914 625 2HD1 ILE 73 HD12 ILE 73 -3.041 6.781 -4.537 626 3HD1 ILE 73 HD13 ILE 73 -3.413 7.997 -3.319 627 H ASP 74 HN ASP 74 -7.085 4.413 -6.644 628 HA ASP 74 HA ASP 74 -9.458 5.587 -7.481 629 1HB ASP 74 HB2 ASP 74 -7.568 4.359 -8.827 630 2HB ASP 74 HB1 ASP 74 -8.578 2.936 -8.600 631 H TYR 75 HN TYR 75 -8.997 2.149 -6.498 632 HA TYR 75 HA TYR 75 -11.698 1.439 -6.666 633 1HB TYR 75 HB2 TYR 75 -9.397 0.335 -5.075 634 2HB TYR 75 HB1 TYR 75 -11.013 -0.364 -4.969 635 HD1 TYR 75 HD1 TYR 75 -11.946 -0.115 -7.750 636 HD2 TYR 75 HD2 TYR 75 -8.141 -1.279 -6.247 637 HE1 TYR 75 HE1 TYR 75 -11.539 -1.399 -9.802 638 HE2 TYR 75 HE2 TYR 75 -7.724 -2.566 -8.300 639 HH TYR 75 HH TYR 75 -9.614 -2.255 -11.089 640 H LYS 76 HN LYS 76 -9.901 3.054 -4.153 641 HA LYS 76 HA LYS 76 -11.826 2.968 -2.106 642 1HB LYS 76 HB2 LYS 76 -9.755 3.750 -1.396 643 2HB LYS 76 HB1 LYS 76 -9.496 4.673 -2.857 644 1HG LYS 76 HG2 LYS 76 -11.300 6.241 -2.000 645 2HG LYS 76 HG1 LYS 76 -11.120 5.402 -0.472 646 1HD LYS 76 HD2 LYS 76 -8.910 6.773 -1.965 647 2HD LYS 76 HD1 LYS 76 -9.720 7.428 -0.544 648 1HE LYS 76 HE2 LYS 76 -7.801 6.492 0.327 649 2HE LYS 76 HE1 LYS 76 -8.965 5.181 0.493 650 1HZ LYS 76 HZ1 LYS 76 -7.078 5.488 -1.772 651 2HZ LYS 76 HZ2 LYS 76 -8.131 4.193 -1.521 652 3HZ LYS 76 HZ3 LYS 76 -6.846 4.450 -0.460 653 H GLU 77 HN GLU 77 -11.091 5.235 -4.651 654 HA GLU 77 HA GLU 77 -13.161 7.077 -4.220 655 1HB GLU 77 HB2 GLU 77 -11.351 6.420 -6.532 656 2HB GLU 77 HB1 GLU 77 -12.504 7.734 -6.606 657 1HG GLU 77 HG2 GLU 77 -10.665 7.619 -4.284 658 2HG GLU 77 HG1 GLU 77 -10.010 8.103 -5.849 659 H ARG 78 HN ARG 78 -13.149 3.953 -5.622 660 HA ARG 78 HA ARG 78 -15.586 4.465 -7.163 661 1HB ARG 78 HB2 ARG 78 -13.699 2.120 -7.027 662 2HB ARG 78 HB1 ARG 78 -15.242 2.043 -7.862 663 1HG ARG 78 HG2 ARG 78 -14.540 3.848 -9.344 664 2HG ARG 78 HG1 ARG 78 -12.995 3.945 -8.496 665 1HD ARG 78 HD2 ARG 78 -12.787 2.660 -10.560 666 2HD ARG 78 HD1 ARG 78 -12.485 1.649 -9.146 667 HE ARG 78 HE ARG 78 -15.192 1.438 -9.844 668 1HH1 ARG 78 HH11 ARG 78 -12.048 0.559 -11.066 669 2HH1 ARG 78 HH12 ARG 78 -12.626 -0.839 -11.911 670 1HH2 ARG 78 HH21 ARG 78 -15.960 -0.399 -10.951 671 2HH2 ARG 78 HH22 ARG 78 -14.851 -1.383 -11.846 672 H ASP 79 HN ASP 79 -15.141 4.143 -4.109 673 HA ASP 79 HA ASP 79 -16.301 3.336 -2.326 674 1HB ASP 79 HB2 ASP 79 -18.220 4.231 -3.683 675 2HB ASP 79 HB1 ASP 79 -18.435 2.615 -4.349 676 H LEU 80 HN LEU 80 -14.527 1.616 -3.888 677 HA LEU 80 HA LEU 80 -15.714 -1.023 -3.656 678 1HB LEU 80 HB2 LEU 80 -13.603 0.166 -5.207 679 2HB LEU 80 HB1 LEU 80 -13.003 -1.255 -4.384 680 HG LEU 80 HG LEU 80 -15.302 -2.249 -5.361 681 1HD1 LEU 80 HD11 LEU 80 -15.668 -1.408 -7.608 682 2HD1 LEU 80 HD12 LEU 80 -14.414 -0.189 -7.370 683 3HD1 LEU 80 HD13 LEU 80 -15.904 -0.121 -6.424 684 1HD2 LEU 80 HD21 LEU 80 -12.988 -3.106 -5.652 685 2HD2 LEU 80 HD22 LEU 80 -12.792 -1.963 -6.980 686 3HD2 LEU 80 HD23 LEU 80 -13.986 -3.253 -7.101 687 H ILE 81 HN ILE 81 -13.753 1.099 -1.839 688 HA ILE 81 HA ILE 81 -12.803 -1.101 -0.129 689 HB ILE 81 HB ILE 81 -11.923 1.790 -0.203 690 1HG1 ILE 81 HG12 ILE 81 -10.540 -0.764 -1.053 691 2HG1 ILE 81 HG11 ILE 81 -11.153 0.487 -2.128 692 1HG2 ILE 81 HG21 ILE 81 -10.774 -0.482 1.421 693 2HG2 ILE 81 HG22 ILE 81 -11.852 0.752 2.076 694 3HG2 ILE 81 HG23 ILE 81 -10.265 1.205 1.447 695 1HD1 ILE 81 HD11 ILE 81 -8.945 0.863 -0.119 696 2HD1 ILE 81 HD12 ILE 81 -9.518 2.049 -1.290 697 3HD1 ILE 81 HD13 ILE 81 -8.722 0.579 -1.844 698 H ASP 82 HN ASP 82 -13.580 -1.366 1.864 699 HA ASP 82 HA ASP 82 -15.952 -0.117 2.672 700 1HB ASP 82 HB2 ASP 82 -14.787 -2.383 3.391 701 2HB ASP 82 HB1 ASP 82 -14.159 -1.379 4.695 702 H ARG 83 HN ARG 83 -16.386 1.616 3.893 703 HA ARG 83 HA ARG 83 -14.437 3.586 4.335 704 1HB ARG 83 HB2 ARG 83 -17.220 3.242 5.455 705 2HB ARG 83 HB1 ARG 83 -16.233 4.664 5.761 706 1HG ARG 83 HG2 ARG 83 -16.995 3.711 3.010 707 2HG ARG 83 HG1 ARG 83 -17.893 4.926 3.924 708 1HD ARG 83 HD2 ARG 83 -16.042 6.417 3.919 709 2HD ARG 83 HD1 ARG 83 -14.958 5.172 3.303 710 HE ARG 83 HE ARG 83 -15.951 5.401 1.170 711 1HH1 ARG 83 HH11 ARG 83 -17.187 7.661 3.517 712 2HH1 ARG 83 HH12 ARG 83 -17.851 8.730 2.328 713 1HH2 ARG 83 HH21 ARG 83 -16.822 6.803 -0.402 714 2HH2 ARG 83 HH22 ARG 83 -17.644 8.243 0.100 715 H SER 84 HN SER 84 -15.136 0.769 6.048 716 HA SER 84 HA SER 84 -14.529 1.613 8.685 717 1HB SER 84 HB2 SER 84 -15.686 -0.547 8.027 718 2HB SER 84 HB1 SER 84 -14.099 -1.163 7.568 719 HG SER 84 HG SER 84 -15.118 -1.318 9.908 720 H ALA 85 HN ALA 85 -12.610 0.718 5.917 721 HA ALA 85 HA ALA 85 -10.158 0.304 7.320 722 1HB ALA 85 HB1 ALA 85 -9.118 0.573 5.068 723 2HB ALA 85 HB2 ALA 85 -10.716 0.949 4.421 724 3HB ALA 85 HB3 ALA 85 -10.397 -0.634 5.123 725 H TYR 86 HN TYR 86 -11.658 2.995 5.641 726 HA TYR 86 HA TYR 86 -9.775 4.927 5.538 727 1HB TYR 86 HB2 TYR 86 -12.654 5.164 6.401 728 2HB TYR 86 HB1 TYR 86 -11.628 6.571 6.179 729 HD1 TYR 86 HD1 TYR 86 -11.745 3.488 4.110 730 HD2 TYR 86 HD2 TYR 86 -12.595 7.644 4.347 731 HE1 TYR 86 HE1 TYR 86 -12.304 3.499 1.717 732 HE2 TYR 86 HE2 TYR 86 -13.160 7.672 1.955 733 HH TYR 86 HH TYR 86 -12.716 6.380 -0.061
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