NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473205 | 2jq4 | 15269 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 1.171 0.075 9.578 2 1HB MET 1 1HB MET 1 3.194 -2.152 9.628 3 2HB MET 1 2HB MET 1 3.115 -1.068 8.245 4 1HG MET 1 1HG MET 1 3.897 0.728 9.426 5 2HG MET 1 2HG MET 1 3.263 0.139 10.957 6 1HE MET 1 1HE MET 1 6.162 -0.101 8.322 7 2HE MET 1 2HE MET 1 5.500 -1.735 8.298 8 3HE MET 1 3HE MET 1 7.111 -1.446 8.953 9 H ASN 2 H ASN 2 0.802 -3.430 9.122 10 HA ASN 2 HA ASN 2 0.502 -3.382 6.349 11 1HB ASN 2 1HB ASN 2 -0.613 -5.631 6.642 12 2HB ASN 2 2HB ASN 2 0.982 -5.465 7.356 13 1HD2 ASN 2 1HD2 ASN 2 0.812 -7.008 8.880 14 2HD2 ASN 2 2HD2 ASN 2 -0.313 -6.962 10.192 15 H ALA 3 H ALA 3 -2.038 -3.253 8.849 16 HA ALA 3 HA ALA 3 -4.192 -3.144 6.992 17 1HB ALA 3 1HB ALA 3 -5.553 -2.450 8.899 18 2HB ALA 3 2HB ALA 3 -4.096 -2.162 9.851 19 3HB ALA 3 3HB ALA 3 -4.507 -3.800 9.341 20 H THR 4 H THR 4 -2.191 -0.758 8.578 21 HA THR 4 HA THR 4 -3.547 1.588 7.846 22 HB THR 4 HB THR 4 -0.585 1.142 8.318 23 HG1 THR 4 HG1 THR 4 -2.494 2.099 10.196 24 1HG2 THR 4 1HG2 THR 4 -2.213 3.684 8.494 25 2HG2 THR 4 2HG2 THR 4 -1.010 3.304 7.259 26 3HG2 THR 4 3HG2 THR 4 -0.514 3.508 8.939 27 H ILE 5 H ILE 5 -1.086 -0.327 6.211 28 HA ILE 5 HA ILE 5 -0.435 1.465 4.157 29 HB ILE 5 HB ILE 5 -0.247 -1.553 4.271 30 1HG1 ILE 5 1HG1 ILE 5 1.944 0.532 4.486 31 2HG1 ILE 5 2HG1 ILE 5 1.098 -0.114 5.885 32 1HG2 ILE 5 1HG2 ILE 5 0.930 0.329 2.214 33 2HG2 ILE 5 2HG2 ILE 5 -0.333 -0.871 1.932 34 3HG2 ILE 5 3HG2 ILE 5 1.298 -1.392 2.356 35 1HD1 ILE 5 1HD1 ILE 5 2.774 -1.689 3.944 36 2HD1 ILE 5 2HD1 ILE 5 1.904 -2.357 5.326 37 3HD1 ILE 5 3HD1 ILE 5 3.223 -1.215 5.584 38 H ARG 6 H ARG 6 -2.817 -1.199 4.230 39 HA ARG 6 HA ARG 6 -3.716 -0.635 1.563 40 1HB ARG 6 1HB ARG 6 -5.404 -2.317 1.928 41 2HB ARG 6 2HB ARG 6 -3.889 -2.894 2.598 42 1HG ARG 6 1HG ARG 6 -5.274 -3.502 4.290 43 2HG ARG 6 2HG ARG 6 -4.905 -1.865 4.832 44 1HD ARG 6 1HD ARG 6 -6.986 -1.091 3.676 45 2HD ARG 6 2HD ARG 6 -7.364 -2.777 3.324 46 HE ARG 6 HE ARG 6 -6.985 -1.923 6.110 47 1HH1 ARG 6 1HH1 ARG 6 -9.102 -3.166 3.592 48 2HH1 ARG 6 2HH1 ARG 6 -10.379 -3.554 4.697 49 1HH2 ARG 6 1HH2 ARG 6 -8.663 -2.442 7.543 50 2HH2 ARG 6 2HH2 ARG 6 -10.132 -3.143 6.941 51 H GLU 7 H GLU 7 -4.479 0.500 4.731 52 HA GLU 7 HA GLU 7 -7.101 1.468 4.261 53 1HB GLU 7 1HB GLU 7 -6.302 1.081 6.516 54 2HB GLU 7 2HB GLU 7 -5.012 2.257 6.305 55 1HG GLU 7 1HG GLU 7 -6.704 4.038 6.087 56 2HG GLU 7 2HG GLU 7 -7.970 2.844 6.380 57 H ILE 8 H ILE 8 -3.893 2.978 3.970 58 HA ILE 8 HA ILE 8 -4.737 5.626 3.804 59 HB ILE 8 HB ILE 8 -2.366 4.979 4.054 60 1HG1 ILE 8 1HG1 ILE 8 -3.059 6.815 1.749 61 2HG1 ILE 8 2HG1 ILE 8 -2.897 7.261 3.443 62 1HG2 ILE 8 1HG2 ILE 8 -2.530 4.328 1.111 63 2HG2 ILE 8 2HG2 ILE 8 -2.278 3.175 2.421 64 3HG2 ILE 8 3HG2 ILE 8 -1.051 4.391 2.069 65 1HD1 ILE 8 1HD1 ILE 8 -0.687 6.324 1.637 66 2HD1 ILE 8 2HD1 ILE 8 -0.515 6.758 3.339 67 3HD1 ILE 8 3HD1 ILE 8 -0.988 7.980 2.159 68 H LEU 9 H LEU 9 -4.717 3.130 1.342 69 HA LEU 9 HA LEU 9 -4.911 4.652 -0.972 70 1HB LEU 9 1HB LEU 9 -6.065 1.964 -0.253 71 2HB LEU 9 2HB LEU 9 -6.364 2.682 -1.823 72 HG LEU 9 HG LEU 9 -4.541 1.086 -1.970 73 1HD1 LEU 9 1HD1 LEU 9 -3.536 3.922 -2.201 74 2HD1 LEU 9 2HD1 LEU 9 -4.444 3.036 -3.426 75 3HD1 LEU 9 3HD1 LEU 9 -2.825 2.505 -2.974 76 1HD2 LEU 9 1HD2 LEU 9 -3.106 2.795 0.064 77 2HD2 LEU 9 2HD2 LEU 9 -2.434 1.402 -0.787 78 3HD2 LEU 9 3HD2 LEU 9 -3.765 1.183 0.349 79 H ALA 10 H ALA 10 -7.242 4.166 1.536 80 HA ALA 10 HA ALA 10 -9.566 4.924 0.094 81 1HB ALA 10 1HB ALA 10 -10.626 5.111 2.267 82 2HB ALA 10 2HB ALA 10 -9.053 5.107 3.065 83 3HB ALA 10 3HB ALA 10 -9.615 3.665 2.221 84 H LYS 11 H LYS 11 -7.161 6.745 1.955 85 HA LYS 11 HA LYS 11 -8.763 9.186 1.625 86 1HB LYS 11 1HB LYS 11 -7.264 10.119 3.417 87 2HB LYS 11 2HB LYS 11 -8.292 8.781 3.911 88 1HG LYS 11 1HG LYS 11 -6.356 7.250 3.630 89 2HG LYS 11 2HG LYS 11 -5.346 8.652 3.282 90 1HD LYS 11 1HD LYS 11 -6.873 8.167 5.849 91 2HD LYS 11 2HD LYS 11 -5.139 7.943 5.626 92 1HE LYS 11 1HE LYS 11 -4.886 10.331 5.152 93 2HE LYS 11 2HE LYS 11 -6.624 10.561 5.341 94 1HZ LYS 11 1HZ LYS 11 -4.778 9.621 7.471 95 2HZ LYS 11 2HZ LYS 11 -6.437 9.888 7.646 96 3HZ LYS 11 3HZ LYS 11 -5.401 11.185 7.336 97 H PHE 12 H PHE 12 -5.593 7.872 0.861 98 HA PHE 12 HA PHE 12 -4.917 10.391 -0.521 99 1HB PHE 12 1HB PHE 12 -3.209 8.316 0.814 100 2HB PHE 12 2HB PHE 12 -2.534 9.269 -0.496 101 HD1 PHE 12 HD1 PHE 12 -3.775 9.342 2.950 102 HD2 PHE 12 HD2 PHE 12 -2.092 11.631 -0.222 103 HE1 PHE 12 HE1 PHE 12 -3.247 11.147 4.536 104 HE2 PHE 12 HE2 PHE 12 -1.563 13.440 1.360 105 HZ PHE 12 HZ PHE 12 -2.138 13.199 3.741 106 H GLY 13 H GLY 13 -5.144 6.902 -0.859 107 1HA GLY 13 1HA GLY 13 -3.812 6.776 -3.382 108 2HA GLY 13 2HA GLY 13 -4.769 5.500 -2.643 109 H GLN 14 H GLN 14 -4.568 7.217 -5.339 110 HA GLN 14 HA GLN 14 -7.335 7.856 -5.783 111 1HB GLN 14 1HB GLN 14 -5.512 9.043 -6.969 112 2HB GLN 14 2HB GLN 14 -5.066 7.545 -7.772 113 1HG GLN 14 1HG GLN 14 -6.341 8.938 -9.272 114 2HG GLN 14 2HG GLN 14 -7.261 7.490 -8.875 115 1HE2 GLN 14 1HE2 GLN 14 -9.213 8.464 -9.413 116 2HE2 GLN 14 2HE2 GLN 14 -9.949 9.673 -8.420 117 H LEU 15 H LEU 15 -7.818 5.577 -4.895 118 HA LEU 15 HA LEU 15 -7.730 3.525 -6.976 119 1HB LEU 15 1HB LEU 15 -7.176 3.020 -4.556 120 2HB LEU 15 2HB LEU 15 -8.860 3.324 -4.174 121 HG LEU 15 HG LEU 15 -9.505 1.455 -5.699 122 1HD1 LEU 15 1HD1 LEU 15 -7.789 -0.105 -6.461 123 2HD1 LEU 15 2HD1 LEU 15 -6.530 0.957 -5.828 124 3HD1 LEU 15 3HD1 LEU 15 -7.550 1.495 -7.162 125 1HD2 LEU 15 1HD2 LEU 15 -8.767 -0.358 -4.223 126 2HD2 LEU 15 2HD2 LEU 15 -9.300 1.051 -3.306 127 3HD2 LEU 15 3HD2 LEU 15 -7.577 0.722 -3.492 128 HA PRO 16 HA PRO 16 -11.842 4.896 -8.113 129 1HB PRO 16 1HB PRO 16 -12.220 3.278 -10.219 130 2HB PRO 16 2HB PRO 16 -11.021 4.577 -10.269 131 1HG PRO 16 1HG PRO 16 -10.617 1.646 -9.784 132 2HG PRO 16 2HG PRO 16 -9.671 2.751 -10.799 133 1HD PRO 16 1HD PRO 16 -8.954 2.000 -8.248 134 2HD PRO 16 2HD PRO 16 -8.439 3.515 -9.020 135 H THR 17 H THR 17 -11.284 2.582 -6.144 136 HA THR 17 HA THR 17 -13.957 1.493 -6.102 137 HB THR 17 HB THR 17 -11.462 -0.093 -6.613 138 HG1 THR 17 HG1 THR 17 -12.986 0.430 -8.309 139 1HG2 THR 17 1HG2 THR 17 -12.591 -2.146 -5.919 140 2HG2 THR 17 2HG2 THR 17 -13.934 -1.191 -5.291 141 3HG2 THR 17 3HG2 THR 17 -12.332 -1.046 -4.567 142 HA PRO 18 HA PRO 18 -13.250 2.278 -1.797 143 1HB PRO 18 1HB PRO 18 -15.052 0.485 -0.716 144 2HB PRO 18 2HB PRO 18 -15.485 2.068 -1.367 145 1HG PRO 18 1HG PRO 18 -15.676 -0.624 -2.652 146 2HG PRO 18 2HG PRO 18 -16.812 0.736 -2.721 147 1HD PRO 18 1HD PRO 18 -15.126 0.173 -4.752 148 2HD PRO 18 2HD PRO 18 -15.581 1.839 -4.351 149 H VAL 19 H VAL 19 -11.744 1.604 -0.433 150 HA VAL 19 HA VAL 19 -10.191 -0.682 -0.903 151 HB VAL 19 HB VAL 19 -10.328 1.021 1.601 152 1HG1 VAL 19 1HG1 VAL 19 -8.038 0.243 2.031 153 2HG1 VAL 19 2HG1 VAL 19 -8.143 -0.832 0.636 154 3HG1 VAL 19 3HG1 VAL 19 -9.190 -1.093 2.032 155 1HG2 VAL 19 1HG2 VAL 19 -9.870 2.357 -0.388 156 2HG2 VAL 19 2HG2 VAL 19 -8.566 1.262 -0.847 157 3HG2 VAL 19 3HG2 VAL 19 -8.425 2.237 0.616 158 H ASP 20 H ASP 20 -13.095 -0.291 0.851 159 HA ASP 20 HA ASP 20 -13.025 -2.239 2.805 160 1HB ASP 20 1HB ASP 20 -14.925 -0.816 2.671 161 2HB ASP 20 2HB ASP 20 -15.260 -1.289 1.010 162 H THR 21 H THR 21 -13.317 -2.650 -0.674 163 HA THR 21 HA THR 21 -14.257 -5.371 -0.456 164 HB THR 21 HB THR 21 -14.944 -3.825 -2.315 165 HG1 THR 21 HG1 THR 21 -13.709 -6.066 -3.499 166 1HG2 THR 21 1HG2 THR 21 -13.449 -3.564 -4.233 167 2HG2 THR 21 2HG2 THR 21 -12.162 -4.393 -3.358 168 3HG2 THR 21 3HG2 THR 21 -12.749 -2.829 -2.791 169 H ILE 22 H ILE 22 -11.168 -3.855 -0.528 170 HA ILE 22 HA ILE 22 -9.888 -6.357 -1.423 171 HB ILE 22 HB ILE 22 -7.818 -5.011 -1.734 172 1HG1 ILE 22 1HG1 ILE 22 -9.649 -2.640 -1.253 173 2HG1 ILE 22 2HG1 ILE 22 -8.368 -3.176 -0.169 174 1HG2 ILE 22 1HG2 ILE 22 -10.217 -4.069 -3.309 175 2HG2 ILE 22 2HG2 ILE 22 -9.276 -5.528 -3.616 176 3HG2 ILE 22 3HG2 ILE 22 -8.532 -3.942 -3.818 177 1HD1 ILE 22 1HD1 ILE 22 -7.660 -1.265 -1.475 178 2HD1 ILE 22 2HD1 ILE 22 -7.999 -2.136 -2.971 179 3HD1 ILE 22 3HD1 ILE 22 -6.711 -2.689 -1.901 180 H ALA 23 H ALA 23 -7.764 -6.815 -0.385 181 HA ALA 23 HA ALA 23 -7.485 -6.077 2.395 182 1HB ALA 23 1HB ALA 23 -8.205 -8.916 1.634 183 2HB ALA 23 2HB ALA 23 -9.240 -7.790 2.511 184 3HB ALA 23 3HB ALA 23 -7.742 -8.364 3.244 185 H ASP 24 H ASP 24 -5.752 -7.795 3.339 186 HA ASP 24 HA ASP 24 -3.393 -7.323 1.797 187 1HB ASP 24 1HB ASP 24 -2.215 -8.418 3.642 188 2HB ASP 24 2HB ASP 24 -3.392 -7.266 4.263 189 H GLU 25 H GLU 25 -5.564 -9.983 2.211 190 HA GLU 25 HA GLU 25 -3.821 -11.856 0.818 191 1HB GLU 25 1HB GLU 25 -6.611 -12.165 1.955 192 2HB GLU 25 2HB GLU 25 -5.714 -13.456 1.166 193 1HG GLU 25 1HG GLU 25 -4.903 -12.021 3.691 194 2HG GLU 25 2HG GLU 25 -5.590 -13.640 3.590 195 H ALA 26 H ALA 26 -5.508 -9.359 -0.250 196 HA ALA 26 HA ALA 26 -6.531 -10.766 -2.635 197 1HB ALA 26 1HB ALA 26 -7.481 -8.123 -1.529 198 2HB ALA 26 2HB ALA 26 -8.309 -9.666 -1.326 199 3HB ALA 26 3HB ALA 26 -8.130 -8.966 -2.935 200 H ASP 27 H ASP 27 -6.242 -9.716 -4.667 201 HA ASP 27 HA ASP 27 -3.740 -8.248 -4.826 202 1HB ASP 27 1HB ASP 27 -4.018 -8.559 -7.300 203 2HB ASP 27 2HB ASP 27 -3.951 -10.058 -6.388 204 H LEU 28 H LEU 28 -3.825 -6.154 -4.529 205 HA LEU 28 HA LEU 28 -6.170 -4.629 -4.515 206 1HB LEU 28 1HB LEU 28 -3.272 -3.791 -4.562 207 2HB LEU 28 2HB LEU 28 -4.590 -2.646 -4.409 208 HG LEU 28 HG LEU 28 -5.296 -3.880 -2.313 209 1HD1 LEU 28 1HD1 LEU 28 -4.163 -5.994 -2.714 210 2HD1 LEU 28 2HD1 LEU 28 -3.625 -5.275 -1.198 211 3HD1 LEU 28 3HD1 LEU 28 -2.595 -5.189 -2.628 212 1HD2 LEU 28 1HD2 LEU 28 -3.587 -2.819 -0.916 213 2HD2 LEU 28 2HD2 LEU 28 -4.098 -1.760 -2.230 214 3HD2 LEU 28 3HD2 LEU 28 -2.555 -2.610 -2.332 215 H TYR 29 H TYR 29 -3.928 -5.268 -7.122 216 HA TYR 29 HA TYR 29 -4.632 -3.033 -8.711 217 1HB TYR 29 1HB TYR 29 -3.645 -4.319 -10.621 218 2HB TYR 29 2HB TYR 29 -2.583 -4.117 -9.239 219 HD1 TYR 29 HD1 TYR 29 -4.649 -6.549 -11.109 220 HD2 TYR 29 HD2 TYR 29 -1.747 -6.009 -8.037 221 HE1 TYR 29 HE1 TYR 29 -4.203 -8.966 -11.110 222 HE2 TYR 29 HE2 TYR 29 -1.300 -8.427 -8.028 223 HH TYR 29 HH TYR 29 -2.579 -10.543 -10.470 224 H ALA 30 H ALA 30 -6.243 -5.998 -8.054 225 HA ALA 30 HA ALA 30 -7.978 -6.086 -10.289 226 1HB ALA 30 1HB ALA 30 -7.689 -7.971 -8.742 227 2HB ALA 30 2HB ALA 30 -9.386 -7.523 -8.910 228 3HB ALA 30 3HB ALA 30 -8.485 -7.047 -7.469 229 H ALA 31 H ALA 31 -7.922 -4.170 -7.386 230 HA ALA 31 HA ALA 31 -10.627 -3.181 -7.674 231 1HB ALA 31 1HB ALA 31 -9.660 -3.405 -5.452 232 2HB ALA 31 2HB ALA 31 -10.057 -1.719 -5.784 233 3HB ALA 31 3HB ALA 31 -8.382 -2.266 -5.873 234 H GLY 32 H GLY 32 -7.689 -2.544 -9.128 235 1HA GLY 32 1HA GLY 32 -7.621 -1.082 -11.032 236 2HA GLY 32 2HA GLY 32 -8.730 -0.002 -10.199 237 H LEU 33 H LEU 33 -6.004 -1.444 -8.576 238 HA LEU 33 HA LEU 33 -4.945 1.009 -7.704 239 1HB LEU 33 1HB LEU 33 -4.554 -1.136 -6.553 240 2HB LEU 33 2HB LEU 33 -3.585 -1.688 -7.906 241 HG LEU 33 HG LEU 33 -1.955 0.140 -7.441 242 1HD1 LEU 33 1HD1 LEU 33 -3.643 0.595 -4.979 243 2HD1 LEU 33 2HD1 LEU 33 -3.453 1.710 -6.331 244 3HD1 LEU 33 3HD1 LEU 33 -2.072 1.329 -5.304 245 1HD2 LEU 33 1HD2 LEU 33 -0.975 -0.890 -5.447 246 2HD2 LEU 33 2HD2 LEU 33 -1.571 -2.110 -6.572 247 3HD2 LEU 33 3HD2 LEU 33 -2.497 -1.720 -5.122 248 H SER 34 H SER 34 -4.145 2.491 -9.019 249 HA SER 34 HA SER 34 -2.533 1.700 -11.341 250 1HB SER 34 1HB SER 34 -2.863 4.107 -12.016 251 2HB SER 34 2HB SER 34 -4.362 3.188 -11.884 252 HG SER 34 HG SER 34 -4.993 4.584 -10.461 253 H SER 35 H SER 35 -0.606 3.059 -11.789 254 HA SER 35 HA SER 35 1.176 3.154 -9.630 255 1HB SER 35 1HB SER 35 1.779 3.023 -12.091 256 2HB SER 35 2HB SER 35 1.435 4.747 -12.198 257 HG SER 35 HG SER 35 3.064 5.079 -10.603 258 H PHE 36 H PHE 36 -1.105 5.459 -10.868 259 HA PHE 36 HA PHE 36 -0.146 7.776 -9.541 260 1HB PHE 36 1HB PHE 36 -3.002 7.090 -10.302 261 2HB PHE 36 2HB PHE 36 -2.385 8.695 -9.930 262 HD1 PHE 36 HD2 PHE 36 -0.651 9.709 -11.472 263 HD2 PHE 36 HD1 PHE 36 -2.886 6.226 -12.479 264 HE1 PHE 36 HE2 PHE 36 -0.119 10.055 -13.848 265 HE2 PHE 36 HE1 PHE 36 -2.356 6.570 -14.855 266 HZ PHE 36 HZ PHE 36 -0.973 8.486 -15.543 267 H ALA 37 H ALA 37 -2.496 5.266 -8.681 268 HA ALA 37 HA ALA 37 -3.253 6.377 -6.193 269 1HB ALA 37 1HB ALA 37 -4.246 4.191 -5.731 270 2HB ALA 37 2HB ALA 37 -3.376 3.498 -7.101 271 3HB ALA 37 3HB ALA 37 -4.618 4.720 -7.372 272 H SER 38 H SER 38 -0.737 4.097 -7.154 273 HA SER 38 HA SER 38 -0.043 3.332 -4.506 274 1HB SER 38 1HB SER 38 2.017 2.382 -5.660 275 2HB SER 38 2HB SER 38 0.462 1.794 -6.250 276 HG SER 38 HG SER 38 2.396 3.198 -7.552 277 H VAL 39 H VAL 39 1.196 5.822 -6.727 278 HA VAL 39 HA VAL 39 3.455 6.443 -5.108 279 HB VAL 39 HB VAL 39 3.362 7.079 -7.498 280 1HG1 VAL 39 1HG1 VAL 39 1.042 7.787 -7.659 281 2HG1 VAL 39 2HG1 VAL 39 2.119 9.070 -8.207 282 3HG1 VAL 39 3HG1 VAL 39 1.370 9.168 -6.613 283 1HG2 VAL 39 1HG2 VAL 39 4.954 8.172 -6.012 284 2HG2 VAL 39 2HG2 VAL 39 3.759 9.405 -5.610 285 3HG2 VAL 39 3HG2 VAL 39 4.393 9.293 -7.253 286 H GLN 40 H GLN 40 0.153 7.710 -5.250 287 HA GLN 40 HA GLN 40 0.517 9.776 -3.350 288 1HB GLN 40 1HB GLN 40 -1.986 8.171 -3.958 289 2HB GLN 40 2HB GLN 40 -1.943 9.677 -3.054 290 1HG GLN 40 1HG GLN 40 -1.092 9.404 -5.932 291 2HG GLN 40 2HG GLN 40 -2.697 9.906 -5.413 292 1HE2 GLN 40 1HE2 GLN 40 -2.557 11.912 -6.368 293 2HE2 GLN 40 2HE2 GLN 40 -1.521 13.166 -5.776 294 H LEU 41 H LEU 41 -0.266 6.382 -3.127 295 HA LEU 41 HA LEU 41 -0.722 6.078 -0.411 296 1HB LEU 41 1HB LEU 41 -1.072 4.071 -1.384 297 2HB LEU 41 2HB LEU 41 0.045 4.406 -2.686 298 HG LEU 41 HG LEU 41 1.917 3.761 -1.080 299 1HD1 LEU 41 1HD1 LEU 41 -0.398 2.631 0.496 300 2HD1 LEU 41 2HD1 LEU 41 0.660 3.946 1.008 301 3HD1 LEU 41 3HD1 LEU 41 1.313 2.322 0.799 302 1HD2 LEU 41 1HD2 LEU 41 -0.105 1.657 -1.863 303 2HD2 LEU 41 2HD2 LEU 41 1.588 1.364 -1.461 304 3HD2 LEU 41 3HD2 LEU 41 1.172 2.311 -2.890 305 H MET 42 H MET 42 2.360 6.182 -2.175 306 HA MET 42 HA MET 42 4.086 5.592 -0.049 307 1HB MET 42 1HB MET 42 4.714 7.522 -2.297 308 2HB MET 42 2HB MET 42 5.850 6.541 -1.382 309 1HG MET 42 1HG MET 42 3.770 5.518 -3.299 310 2HG MET 42 2HG MET 42 5.496 5.670 -3.623 311 1HE MET 42 1HE MET 42 5.543 3.172 -4.413 312 2HE MET 42 2HE MET 42 3.831 2.953 -4.045 313 3HE MET 42 3HE MET 42 5.020 1.806 -3.430 314 H LEU 43 H LEU 43 3.096 8.737 -1.351 315 HA LEU 43 HA LEU 43 4.641 10.372 0.264 316 1HB LEU 43 1HB LEU 43 1.914 10.961 -0.900 317 2HB LEU 43 2HB LEU 43 3.045 12.165 -0.310 318 HG LEU 43 HG LEU 43 3.503 10.331 -2.674 319 1HD1 LEU 43 1HD1 LEU 43 1.820 12.030 -3.137 320 2HD1 LEU 43 2HD1 LEU 43 3.307 12.352 -4.027 321 3HD1 LEU 43 3HD1 LEU 43 2.923 13.291 -2.584 322 1HD2 LEU 43 1HD2 LEU 43 5.592 10.862 -1.527 323 2HD2 LEU 43 2HD2 LEU 43 5.207 12.582 -1.596 324 3HD2 LEU 43 3HD2 LEU 43 5.503 11.683 -3.085 325 H GLY 44 H GLY 44 1.342 9.181 0.826 326 1HA GLY 44 1HA GLY 44 1.052 10.662 3.282 327 2HA GLY 44 2HA GLY 44 -0.067 9.475 2.636 328 H ILE 45 H ILE 45 1.786 7.310 2.419 329 HA ILE 45 HA ILE 45 1.460 6.271 5.029 330 HB ILE 45 HB ILE 45 2.391 5.242 2.445 331 1HG1 ILE 45 1HG1 ILE 45 0.182 4.751 3.354 332 2HG1 ILE 45 2HG1 ILE 45 1.098 3.262 3.170 333 1HG2 ILE 45 1HG2 ILE 45 3.561 4.025 4.943 334 2HG2 ILE 45 2HG2 ILE 45 4.448 4.759 3.607 335 3HG2 ILE 45 3HG2 ILE 45 3.552 3.261 3.353 336 1HD1 ILE 45 1HD1 ILE 45 0.623 4.755 5.740 337 2HD1 ILE 45 2HD1 ILE 45 1.583 3.285 5.573 338 3HD1 ILE 45 3HD1 ILE 45 -0.148 3.251 5.234 339 H GLU 46 H GLU 46 4.159 7.785 3.405 340 HA GLU 46 HA GLU 46 6.226 7.051 5.140 341 1HB GLU 46 1HB GLU 46 6.613 8.267 3.038 342 2HB GLU 46 2HB GLU 46 5.818 9.689 3.702 343 1HG GLU 46 1HG GLU 46 7.581 9.767 5.466 344 2HG GLU 46 2HG GLU 46 8.410 8.459 4.624 345 H GLU 47 H GLU 47 4.179 9.979 5.252 346 HA GLU 47 HA GLU 47 5.143 10.793 7.794 347 1HB GLU 47 1HB GLU 47 3.274 12.412 7.772 348 2HB GLU 47 2HB GLU 47 4.205 12.439 6.283 349 1HG GLU 47 1HG GLU 47 2.472 11.115 5.171 350 2HG GLU 47 2HG GLU 47 1.540 11.082 6.666 351 H ALA 48 H ALA 48 2.615 8.669 6.739 352 HA ALA 48 HA ALA 48 0.892 8.697 8.911 353 1HB ALA 48 1HB ALA 48 0.402 7.569 6.789 354 2HB ALA 48 2HB ALA 48 0.134 6.510 8.173 355 3HB ALA 48 3HB ALA 48 1.583 6.320 7.185 356 H PHE 49 H PHE 49 3.752 6.524 8.442 357 HA PHE 49 HA PHE 49 3.682 6.178 11.368 358 1HB PHE 49 1HB PHE 49 4.289 3.835 11.204 359 2HB PHE 49 2HB PHE 49 2.783 4.143 10.356 360 HD1 PHE 49 HD2 PHE 49 6.364 3.373 9.939 361 HD2 PHE 49 HD1 PHE 49 2.584 3.729 8.006 362 HE1 PHE 49 HE2 PHE 49 7.271 2.232 7.961 363 HE2 PHE 49 HE1 PHE 49 3.488 2.576 6.030 364 HZ PHE 49 HZ PHE 49 5.836 1.829 6.004 365 H ASP 50 H ASP 50 5.758 6.393 8.498 366 HA ASP 50 HA ASP 50 7.920 7.441 9.926 367 1HB ASP 50 1HB ASP 50 8.020 5.169 10.927 368 2HB ASP 50 2HB ASP 50 8.292 4.495 9.324 369 H ILE 51 H ILE 51 7.984 4.912 7.372 370 HA ILE 51 HA ILE 51 9.016 6.957 5.514 371 HB ILE 51 HB ILE 51 10.705 5.542 4.624 372 1HG1 ILE 51 1HG1 ILE 51 9.592 3.363 4.728 373 2HG1 ILE 51 2HG1 ILE 51 11.198 3.270 5.432 374 1HG2 ILE 51 1HG2 ILE 51 12.215 5.219 6.531 375 2HG2 ILE 51 2HG2 ILE 51 10.856 5.448 7.632 376 3HG2 ILE 51 3HG2 ILE 51 11.377 6.770 6.589 377 1HD1 ILE 51 1HD1 ILE 51 10.149 3.424 7.685 378 2HD1 ILE 51 2HD1 ILE 51 9.720 1.981 6.767 379 3HD1 ILE 51 3HD1 ILE 51 8.573 3.313 6.896 380 H GLU 52 H GLU 52 9.071 6.128 3.218 381 HA GLU 52 HA GLU 52 6.591 4.653 2.665 382 1HB GLU 52 1HB GLU 52 6.906 5.726 0.318 383 2HB GLU 52 2HB GLU 52 6.295 6.705 1.639 384 1HG GLU 52 1HG GLU 52 7.867 7.987 0.386 385 2HG GLU 52 2HG GLU 52 8.559 7.630 1.966 386 H PHE 53 H PHE 53 6.676 3.523 0.442 387 HA PHE 53 HA PHE 53 8.468 1.363 0.823 388 1HB PHE 53 1HB PHE 53 6.540 1.962 -1.431 389 2HB PHE 53 2HB PHE 53 7.387 0.433 -1.220 390 HD1 PHE 53 HD1 PHE 53 7.166 -0.502 1.313 391 HD2 PHE 53 HD2 PHE 53 4.351 1.996 -0.690 392 HE1 PHE 53 HE1 PHE 53 5.391 -1.298 2.816 393 HE2 PHE 53 HE2 PHE 53 2.576 1.200 0.813 394 HZ PHE 53 HZ PHE 53 3.097 -0.447 2.568 395 HA PRO 54 HA PRO 54 11.788 2.991 -1.735 396 1HB PRO 54 1HB PRO 54 13.554 1.009 -1.282 397 2HB PRO 54 2HB PRO 54 13.158 2.203 -0.036 398 1HG PRO 54 1HG PRO 54 12.073 -0.575 -0.389 399 2HG PRO 54 2HG PRO 54 12.693 0.201 1.083 400 1HD PRO 54 1HD PRO 54 10.047 0.043 0.540 401 2HD PRO 54 2HD PRO 54 10.752 1.420 1.409 402 H ASP 55 H ASP 55 12.894 2.371 -3.665 403 HA ASP 55 HA ASP 55 11.326 1.213 -5.618 404 1HB ASP 55 1HB ASP 55 14.343 1.475 -5.595 405 2HB ASP 55 2HB ASP 55 13.361 1.183 -7.027 406 H ASN 56 H ASN 56 13.736 -0.286 -3.571 407 HA ASN 56 HA ASN 56 14.322 -2.590 -4.960 408 1HB ASN 56 1HB ASN 56 14.045 -2.309 -1.955 409 2HB ASN 56 2HB ASN 56 14.898 -3.606 -2.785 410 1HD2 ASN 56 1HD2 ASN 56 16.877 -3.160 -1.888 411 2HD2 ASN 56 2HD2 ASN 56 17.787 -1.734 -2.252 412 H LEU 57 H LEU 57 11.441 -1.870 -3.085 413 HA LEU 57 HA LEU 57 10.404 -4.551 -3.758 414 1HB LEU 57 1HB LEU 57 8.932 -4.379 -1.811 415 2HB LEU 57 2HB LEU 57 10.620 -4.275 -1.359 416 HG LEU 57 HG LEU 57 10.253 -1.709 -1.321 417 1HD1 LEU 57 1HD1 LEU 57 8.120 -1.579 -2.421 418 2HD1 LEU 57 2HD1 LEU 57 7.924 -1.058 -0.750 419 3HD1 LEU 57 3HD1 LEU 57 7.390 -2.665 -1.240 420 1HD2 LEU 57 1HD2 LEU 57 8.915 -3.454 0.751 421 2HD2 LEU 57 2HD2 LEU 57 9.455 -1.791 0.983 422 3HD2 LEU 57 3HD2 LEU 57 10.634 -3.065 0.677 423 H LEU 58 H LEU 58 10.197 -1.338 -4.545 424 HA LEU 58 HA LEU 58 7.401 -0.966 -4.819 425 1HB LEU 58 1HB LEU 58 9.393 0.748 -4.868 426 2HB LEU 58 2HB LEU 58 9.403 0.413 -6.587 427 HG LEU 58 HG LEU 58 7.040 1.511 -5.042 428 1HD1 LEU 58 1HD1 LEU 58 8.852 3.126 -5.152 429 2HD1 LEU 58 2HD1 LEU 58 7.518 3.619 -6.193 430 3HD1 LEU 58 3HD1 LEU 58 8.969 2.906 -6.899 431 1HD2 LEU 58 1HD2 LEU 58 6.061 1.949 -7.245 432 2HD2 LEU 58 2HD2 LEU 58 6.331 0.226 -6.989 433 3HD2 LEU 58 3HD2 LEU 58 7.431 1.146 -8.017 434 H ASN 59 H ASN 59 9.866 -1.461 -7.359 435 HA ASN 59 HA ASN 59 7.870 -2.459 -9.203 436 1HB ASN 59 1HB ASN 59 9.828 -1.094 -9.965 437 2HB ASN 59 2HB ASN 59 10.894 -2.414 -9.497 438 1HD2 ASN 59 1HD2 ASN 59 10.903 -4.311 -10.726 439 2HD2 ASN 59 2HD2 ASN 59 10.233 -4.372 -12.318 440 H ARG 60 H ARG 60 7.169 -4.177 -7.758 441 HA ARG 60 HA ARG 60 8.522 -6.680 -8.182 442 1HB ARG 60 1HB ARG 60 9.797 -5.574 -6.284 443 2HB ARG 60 2HB ARG 60 8.324 -5.657 -5.333 444 1HG ARG 60 1HG ARG 60 9.774 -7.466 -4.710 445 2HG ARG 60 2HG ARG 60 8.367 -8.125 -5.547 446 1HD ARG 60 1HD ARG 60 9.638 -8.428 -7.568 447 2HD ARG 60 2HD ARG 60 11.026 -7.587 -6.875 448 HE ARG 60 HE ARG 60 10.562 -9.678 -5.173 449 1HH1 ARG 60 1HH1 ARG 60 11.180 -9.418 -8.620 450 2HH1 ARG 60 2HH1 ARG 60 12.014 -10.937 -8.701 451 1HH2 ARG 60 1HH2 ARG 60 11.665 -11.648 -5.281 452 2HH2 ARG 60 2HH2 ARG 60 12.279 -12.222 -6.800 453 H LYS 61 H LYS 61 7.320 -8.483 -7.198 454 HA LYS 61 HA LYS 61 4.541 -8.322 -7.562 455 1HB LYS 61 1HB LYS 61 4.504 -10.620 -6.653 456 2HB LYS 61 2HB LYS 61 5.775 -10.399 -7.851 457 1HG LYS 61 1HG LYS 61 7.432 -10.169 -6.060 458 2HG LYS 61 2HG LYS 61 6.162 -10.385 -4.855 459 1HD LYS 61 1HD LYS 61 6.910 -12.427 -6.956 460 2HD LYS 61 2HD LYS 61 7.486 -12.445 -5.289 461 1HE LYS 61 1HE LYS 61 5.196 -12.686 -4.482 462 2HE LYS 61 2HE LYS 61 4.588 -12.603 -6.135 463 1HZ LYS 61 1HZ LYS 61 6.400 -14.712 -5.086 464 2HZ LYS 61 2HZ LYS 61 5.760 -14.636 -6.648 465 3HZ LYS 61 3HZ LYS 61 4.733 -14.885 -5.327 466 H SER 62 H SER 62 6.301 -7.211 -4.962 467 HA SER 62 HA SER 62 5.176 -8.091 -2.652 468 1HB SER 62 1HB SER 62 5.933 -5.214 -3.200 469 2HB SER 62 2HB SER 62 5.978 -6.054 -1.648 470 HG SER 62 HG SER 62 8.025 -6.197 -2.347 471 H PHE 63 H PHE 63 3.905 -5.418 -4.654 472 HA PHE 63 HA PHE 63 1.858 -4.654 -2.878 473 1HB PHE 63 1HB PHE 63 2.147 -4.247 -5.856 474 2HB PHE 63 2HB PHE 63 0.842 -3.539 -4.908 475 HD1 PHE 63 HD2 PHE 63 1.406 -1.951 -3.049 476 HD2 PHE 63 HD1 PHE 63 4.291 -3.251 -5.903 477 HE1 PHE 63 HE2 PHE 63 2.849 -0.052 -2.451 478 HE2 PHE 63 HE1 PHE 63 5.732 -1.354 -5.304 479 HZ PHE 63 HZ PHE 63 5.017 0.246 -3.580 480 H ALA 64 H ALA 64 2.053 -7.404 -4.876 481 HA ALA 64 HA ALA 64 -0.761 -7.764 -5.314 482 1HB ALA 64 1HB ALA 64 0.916 -8.788 -6.785 483 2HB ALA 64 2HB ALA 64 -0.162 -9.996 -6.086 484 3HB ALA 64 3HB ALA 64 1.471 -9.796 -5.449 485 H SER 65 H SER 65 1.172 -7.998 -2.596 486 HA SER 65 HA SER 65 -0.957 -9.230 -1.082 487 1HB SER 65 1HB SER 65 1.714 -10.573 -1.466 488 2HB SER 65 2HB SER 65 0.766 -10.844 -0.004 489 HG SER 65 HG SER 65 -0.313 -11.168 -2.605 490 H ILE 66 H ILE 66 -1.212 -7.614 0.316 491 HA ILE 66 HA ILE 66 0.716 -5.777 1.112 492 HB ILE 66 HB ILE 66 -1.850 -6.574 2.481 493 1HG1 ILE 66 1HG1 ILE 66 -2.125 -5.595 0.245 494 2HG1 ILE 66 2HG1 ILE 66 -2.728 -4.502 1.485 495 1HG2 ILE 66 1HG2 ILE 66 -0.398 -5.600 4.149 496 2HG2 ILE 66 2HG2 ILE 66 -1.680 -4.460 3.737 497 3HG2 ILE 66 3HG2 ILE 66 -0.054 -4.228 3.093 498 1HD1 ILE 66 1HD1 ILE 66 -1.512 -3.304 -0.240 499 2HD1 ILE 66 2HD1 ILE 66 -0.076 -4.277 0.074 500 3HD1 ILE 66 3HD1 ILE 66 -0.684 -3.176 1.311 501 H LYS 67 H LYS 67 -0.381 -8.710 2.839 502 HA LYS 67 HA LYS 67 1.117 -8.310 5.160 503 1HB LYS 67 1HB LYS 67 0.802 -10.625 5.689 504 2HB LYS 67 2HB LYS 67 -0.667 -10.039 4.929 505 1HG LYS 67 1HG LYS 67 1.423 -11.440 3.305 506 2HG LYS 67 2HG LYS 67 0.279 -12.360 4.281 507 1HD LYS 67 1HD LYS 67 -1.587 -11.424 3.075 508 2HD LYS 67 2HD LYS 67 -0.525 -10.326 2.192 509 1HE LYS 67 1HE LYS 67 0.550 -12.182 1.088 510 2HE LYS 67 2HE LYS 67 -0.373 -13.335 2.049 511 1HZ LYS 67 1HZ LYS 67 -2.310 -12.859 0.910 512 2HZ LYS 67 2HZ LYS 67 -1.145 -12.812 -0.319 513 3HZ LYS 67 3HZ LYS 67 -1.745 -11.372 0.332 514 H ALA 68 H ALA 68 2.126 -9.406 2.019 515 HA ALA 68 HA ALA 68 4.633 -10.515 2.905 516 1HB ALA 68 1HB ALA 68 3.531 -11.325 0.862 517 2HB ALA 68 2HB ALA 68 5.154 -10.721 0.531 518 3HB ALA 68 3HB ALA 68 3.746 -9.739 0.121 519 H ILE 69 H ILE 69 3.602 -7.537 1.253 520 HA ILE 69 HA ILE 69 6.218 -6.444 1.063 521 HB ILE 69 HB ILE 69 4.388 -5.750 -0.440 522 1HG1 ILE 69 1HG1 ILE 69 5.531 -3.461 1.191 523 2HG1 ILE 69 2HG1 ILE 69 6.344 -4.277 -0.142 524 1HG2 ILE 69 1HG2 ILE 69 2.556 -5.736 1.168 525 2HG2 ILE 69 2HG2 ILE 69 2.661 -4.199 0.311 526 3HG2 ILE 69 3HG2 ILE 69 3.254 -4.328 1.969 527 1HD1 ILE 69 1HD1 ILE 69 5.415 -2.153 -0.849 528 2HD1 ILE 69 2HD1 ILE 69 3.806 -2.664 -0.341 529 3HD1 ILE 69 3HD1 ILE 69 4.613 -3.487 -1.677 530 H GLU 70 H GLU 70 3.716 -6.304 3.524 531 HA GLU 70 HA GLU 70 4.705 -4.045 4.902 532 1HB GLU 70 1HB GLU 70 3.237 -4.635 6.698 533 2HB GLU 70 2HB GLU 70 2.408 -4.957 5.187 534 1HG GLU 70 1HG GLU 70 1.846 -6.868 6.233 535 2HG GLU 70 2HG GLU 70 3.421 -7.397 5.647 536 H ASP 71 H ASP 71 5.453 -7.477 5.087 537 HA ASP 71 HA ASP 71 7.111 -7.326 7.378 538 1HB ASP 71 1HB ASP 71 6.231 -9.464 6.428 539 2HB ASP 71 2HB ASP 71 7.328 -9.278 5.063 540 H THR 72 H THR 72 7.648 -6.817 3.949 541 HA THR 72 HA THR 72 10.484 -6.671 4.089 542 HB THR 72 HB THR 72 8.718 -5.460 1.948 543 HG1 THR 72 HG1 THR 72 9.346 -8.108 2.589 544 1HG2 THR 72 1HG2 THR 72 10.664 -5.876 0.501 545 2HG2 THR 72 2HG2 THR 72 11.557 -6.520 1.878 546 3HG2 THR 72 3HG2 THR 72 11.097 -4.818 1.845 547 H VAL 73 H VAL 73 7.894 -4.250 4.364 548 HA VAL 73 HA VAL 73 9.766 -2.071 4.487 549 HB VAL 73 HB VAL 73 7.447 -1.656 3.774 550 1HG1 VAL 73 1HG1 VAL 73 5.624 -1.571 5.403 551 2HG1 VAL 73 2HG1 VAL 73 6.697 -2.233 6.636 552 3HG1 VAL 73 3HG1 VAL 73 6.272 -3.200 5.227 553 1HG2 VAL 73 1HG2 VAL 73 8.213 -0.154 6.283 554 2HG2 VAL 73 2HG2 VAL 73 7.076 0.402 5.053 555 3HG2 VAL 73 3HG2 VAL 73 8.780 0.193 4.648 556 H LYS 74 H LYS 74 8.352 -4.299 6.775 557 HA LYS 74 HA LYS 74 9.005 -2.940 9.158 558 1HB LYS 74 1HB LYS 74 8.615 -5.864 8.528 559 2HB LYS 74 2HB LYS 74 9.035 -5.319 10.147 560 1HG LYS 74 1HG LYS 74 7.005 -4.012 10.283 561 2HG LYS 74 2HG LYS 74 6.602 -4.409 8.613 562 1HD LYS 74 1HD LYS 74 5.316 -5.779 10.180 563 2HD LYS 74 2HD LYS 74 6.399 -6.773 9.207 564 1HE LYS 74 1HE LYS 74 7.992 -6.857 11.072 565 2HE LYS 74 2HE LYS 74 6.912 -5.855 12.042 566 1HZ LYS 74 1HZ LYS 74 5.245 -7.601 11.909 567 2HZ LYS 74 2HZ LYS 74 6.674 -8.190 12.592 568 3HZ LYS 74 3HZ LYS 74 6.288 -8.561 10.986 569 H LEU 75 H LEU 75 10.913 -5.188 7.155 570 HA LEU 75 HA LEU 75 13.069 -5.375 8.970 571 1HB LEU 75 1HB LEU 75 14.398 -6.265 7.125 572 2HB LEU 75 2HB LEU 75 12.831 -7.031 7.242 573 HG LEU 75 HG LEU 75 12.133 -5.418 5.337 574 1HD1 LEU 75 1HD1 LEU 75 14.069 -3.944 5.398 575 2HD1 LEU 75 2HD1 LEU 75 13.950 -4.751 3.836 576 3HD1 LEU 75 3HD1 LEU 75 15.133 -5.300 5.024 577 1HD2 LEU 75 1HD2 LEU 75 12.345 -7.831 5.073 578 2HD2 LEU 75 2HD2 LEU 75 14.083 -7.664 4.818 579 3HD2 LEU 75 3HD2 LEU 75 12.950 -6.987 3.647 580 H ILE 76 H ILE 76 12.220 -2.987 6.576 581 HA ILE 76 HA ILE 76 14.584 -1.517 6.423 582 HB ILE 76 HB ILE 76 11.769 -0.395 6.575 583 1HG1 ILE 76 1HG1 ILE 76 13.406 -1.146 4.129 584 2HG1 ILE 76 2HG1 ILE 76 12.049 -2.072 4.760 585 1HG2 ILE 76 1HG2 ILE 76 12.686 1.542 5.379 586 2HG2 ILE 76 2HG2 ILE 76 14.300 0.837 5.472 587 3HG2 ILE 76 3HG2 ILE 76 13.461 1.320 6.946 588 1HD1 ILE 76 1HD1 ILE 76 11.933 0.725 3.654 589 2HD1 ILE 76 2HD1 ILE 76 10.568 -0.170 4.323 590 3HD1 ILE 76 3HD1 ILE 76 11.372 -0.747 2.863 591 H LEU 77 H LEU 77 11.911 -1.221 8.755 592 HA LEU 77 HA LEU 77 12.974 0.766 10.390 593 1HB LEU 77 1HB LEU 77 11.083 -1.509 10.946 594 2HB LEU 77 2HB LEU 77 11.580 -0.427 12.230 595 HG LEU 77 HG LEU 77 9.407 0.224 11.350 596 1HD1 LEU 77 1HD1 LEU 77 9.866 2.572 10.869 597 2HD1 LEU 77 2HD1 LEU 77 11.563 2.189 10.579 598 3HD1 LEU 77 3HD1 LEU 77 10.873 1.979 12.189 599 1HD2 LEU 77 1HD2 LEU 77 9.641 -0.662 9.079 600 2HD2 LEU 77 2HD2 LEU 77 10.798 0.615 8.698 601 3HD2 LEU 77 3HD2 LEU 77 9.121 1.023 9.067 602 H ASP 78 H ASP 78 13.718 -2.631 10.215 603 HA ASP 78 HA ASP 78 14.867 -2.980 12.760 604 1HB ASP 78 1HB ASP 78 14.196 -4.844 11.275 605 2HB ASP 78 2HB ASP 78 15.523 -4.446 10.189 606 H GLY 79 H GLY 79 16.136 -1.632 9.791 607 1HA GLY 79 1HA GLY 79 18.490 -0.683 11.201 608 2HA GLY 79 2HA GLY 79 18.823 -1.855 9.934 609 H LYS 80 H LYS 80 16.631 0.941 10.232 610 HA LYS 80 HA LYS 80 16.662 1.779 7.600 611 1HB LYS 80 1HB LYS 80 16.448 3.460 10.092 612 2HB LYS 80 2HB LYS 80 16.081 4.028 8.466 613 1HG LYS 80 1HG LYS 80 14.425 2.067 8.371 614 2HG LYS 80 2HG LYS 80 14.619 2.008 10.126 615 1HD LYS 80 1HD LYS 80 13.811 4.434 8.541 616 2HD LYS 80 2HD LYS 80 12.696 3.380 9.412 617 1HE LYS 80 1HE LYS 80 13.831 3.930 11.520 618 2HE LYS 80 2HE LYS 80 14.945 4.980 10.646 619 1HZ LYS 80 1HZ LYS 80 12.005 5.366 10.744 620 2HZ LYS 80 2HZ LYS 80 13.136 6.415 10.058 621 3HZ LYS 80 3HZ LYS 80 13.108 6.178 11.731 622 H GLU 81 H GLU 81 18.665 3.054 10.242 623 HA GLU 81 HA GLU 81 20.211 4.753 8.574 624 1HB GLU 81 1HB GLU 81 20.626 3.765 11.402 625 2HB GLU 81 2HB GLU 81 21.689 4.928 10.624 626 1HG GLU 81 1HG GLU 81 20.087 6.041 12.069 627 2HG GLU 81 2HG GLU 81 19.839 6.494 10.386 628 H ALA 82 H ALA 82 20.290 1.427 8.932 629 HA ALA 82 HA ALA 82 23.165 1.198 8.391 630 1HB ALA 82 1HB ALA 82 22.234 -0.258 10.134 631 2HB ALA 82 2HB ALA 82 22.872 -1.194 8.783 632 3HB ALA 82 3HB ALA 82 21.131 -0.967 8.955 633 H ALA 83 H ALA 83 20.435 1.690 6.661 634 HA ALA 83 HA ALA 83 21.035 -0.120 4.460 635 1HB ALA 83 1HB ALA 83 18.898 2.006 4.709 636 2HB ALA 83 2HB ALA 83 18.693 0.290 5.058 637 3HB ALA 83 3HB ALA 83 19.035 0.819 3.411 Start of MODEL 2 1 HA MET 1 HA MET 1 1.898 0.647 9.606 2 1HB MET 1 1HB MET 1 3.326 -1.870 10.414 3 2HB MET 1 2HB MET 1 3.512 -1.234 8.784 4 1HG MET 1 1HG MET 1 4.502 0.748 9.545 5 2HG MET 1 2HG MET 1 3.975 0.476 11.199 6 1HE MET 1 1HE MET 1 6.491 -0.468 8.383 7 2HE MET 1 2HE MET 1 5.692 -2.020 8.640 8 3HE MET 1 3HE MET 1 7.384 -1.812 9.094 9 H ASN 2 H ASN 2 1.239 -2.907 9.689 10 HA ASN 2 HA ASN 2 0.562 -3.124 7.009 11 1HB ASN 2 1HB ASN 2 0.922 -5.103 8.381 12 2HB ASN 2 2HB ASN 2 -0.521 -4.746 9.326 13 1HD2 ASN 2 1HD2 ASN 2 -2.557 -5.096 8.410 14 2HD2 ASN 2 2HD2 ASN 2 -2.781 -6.046 6.983 15 H ALA 3 H ALA 3 -1.732 -2.799 9.726 16 HA ALA 3 HA ALA 3 -4.041 -2.553 8.127 17 1HB ALA 3 1HB ALA 3 -5.141 -1.712 10.143 18 2HB ALA 3 2HB ALA 3 -3.572 -1.489 10.918 19 3HB ALA 3 3HB ALA 3 -4.133 -3.111 10.514 20 H THR 4 H THR 4 -1.841 -0.173 9.491 21 HA THR 4 HA THR 4 -3.080 2.203 8.776 22 HB THR 4 HB THR 4 -0.108 1.588 8.760 23 HG1 THR 4 HG1 THR 4 -1.962 2.126 10.826 24 1HG2 THR 4 1HG2 THR 4 0.196 3.950 9.298 25 2HG2 THR 4 2HG2 THR 4 -1.546 4.214 9.183 26 3HG2 THR 4 3HG2 THR 4 -0.625 3.763 7.748 27 H ILE 5 H ILE 5 -1.007 0.071 6.879 28 HA ILE 5 HA ILE 5 -0.706 1.766 4.634 29 HB ILE 5 HB ILE 5 -0.377 -1.234 4.890 30 1HG1 ILE 5 1HG1 ILE 5 1.776 0.887 4.730 31 2HG1 ILE 5 2HG1 ILE 5 1.093 0.361 6.262 32 1HG2 ILE 5 1HG2 ILE 5 -0.764 -0.650 2.553 33 2HG2 ILE 5 2HG2 ILE 5 0.920 -1.111 2.799 34 3HG2 ILE 5 3HG2 ILE 5 0.487 0.591 2.636 35 1HD1 ILE 5 1HD1 ILE 5 1.842 -1.929 5.786 36 2HD1 ILE 5 2HD1 ILE 5 3.171 -0.771 5.845 37 3HD1 ILE 5 3HD1 ILE 5 2.580 -1.357 4.287 38 H ARG 6 H ARG 6 -2.753 -1.161 5.080 39 HA ARG 6 HA ARG 6 -4.074 -0.815 2.602 40 1HB ARG 6 1HB ARG 6 -5.745 -2.449 3.463 41 2HB ARG 6 2HB ARG 6 -4.085 -2.993 3.570 42 1HG ARG 6 1HG ARG 6 -5.005 -3.702 5.566 43 2HG ARG 6 2HG ARG 6 -4.193 -2.205 6.018 44 1HD ARG 6 1HD ARG 6 -6.257 -1.013 6.090 45 2HD ARG 6 2HD ARG 6 -7.127 -2.344 5.321 46 HE ARG 6 HE ARG 6 -6.378 -3.599 7.465 47 1HH1 ARG 6 1HH1 ARG 6 -7.408 -0.254 7.296 48 2HH1 ARG 6 2HH1 ARG 6 -8.024 -0.234 8.917 49 1HH2 ARG 6 1HH2 ARG 6 -7.180 -3.567 9.592 50 2HH2 ARG 6 2HH2 ARG 6 -7.897 -2.117 10.221 51 H GLU 7 H GLU 7 -4.501 0.662 5.668 52 HA GLU 7 HA GLU 7 -7.174 1.596 5.279 53 1HB GLU 7 1HB GLU 7 -6.275 1.447 7.520 54 2HB GLU 7 2HB GLU 7 -4.946 2.521 7.109 55 1HG GLU 7 1HG GLU 7 -6.499 4.376 6.833 56 2HG GLU 7 2HG GLU 7 -7.858 3.308 7.182 57 H ILE 8 H ILE 8 -3.936 2.954 4.638 58 HA ILE 8 HA ILE 8 -4.800 5.574 4.153 59 HB ILE 8 HB ILE 8 -2.374 4.805 4.458 60 1HG1 ILE 8 1HG1 ILE 8 -3.034 6.776 2.253 61 2HG1 ILE 8 2HG1 ILE 8 -3.119 7.123 3.974 62 1HG2 ILE 8 1HG2 ILE 8 -1.104 4.400 2.404 63 2HG2 ILE 8 2HG2 ILE 8 -2.599 4.413 1.470 64 3HG2 ILE 8 3HG2 ILE 8 -2.315 3.147 2.660 65 1HD1 ILE 8 1HD1 ILE 8 -0.641 6.426 2.430 66 2HD1 ILE 8 2HD1 ILE 8 -0.717 6.758 4.160 67 3HD1 ILE 8 3HD1 ILE 8 -1.108 8.027 2.998 68 H LEU 9 H LEU 9 -4.769 2.764 2.077 69 HA LEU 9 HA LEU 9 -5.069 3.884 -0.435 70 1HB LEU 9 1HB LEU 9 -6.137 1.378 0.816 71 2HB LEU 9 2HB LEU 9 -6.673 1.822 -0.792 72 HG LEU 9 HG LEU 9 -4.839 0.212 -0.884 73 1HD1 LEU 9 1HD1 LEU 9 -5.071 1.813 -2.702 74 2HD1 LEU 9 2HD1 LEU 9 -3.375 1.415 -2.425 75 3HD1 LEU 9 3HD1 LEU 9 -4.025 2.953 -1.852 76 1HD2 LEU 9 1HD2 LEU 9 -3.701 0.780 1.197 77 2HD2 LEU 9 2HD2 LEU 9 -3.197 2.328 0.515 78 3HD2 LEU 9 3HD2 LEU 9 -2.580 0.821 -0.163 79 H ALA 10 H ALA 10 -7.368 3.775 2.182 80 HA ALA 10 HA ALA 10 -9.664 4.406 0.577 81 1HB ALA 10 1HB ALA 10 -10.831 4.604 2.715 82 2HB ALA 10 2HB ALA 10 -9.290 4.522 3.571 83 3HB ALA 10 3HB ALA 10 -9.863 3.132 2.653 84 H LYS 11 H LYS 11 -7.232 6.258 2.248 85 HA LYS 11 HA LYS 11 -8.899 8.686 2.081 86 1HB LYS 11 1HB LYS 11 -7.416 9.540 3.923 87 2HB LYS 11 2HB LYS 11 -8.423 8.164 4.353 88 1HG LYS 11 1HG LYS 11 -6.384 6.717 3.828 89 2HG LYS 11 2HG LYS 11 -5.462 8.220 3.837 90 1HD LYS 11 1HD LYS 11 -7.135 7.172 6.127 91 2HD LYS 11 2HD LYS 11 -5.380 7.058 6.007 92 1HE LYS 11 1HE LYS 11 -5.209 9.495 6.020 93 2HE LYS 11 2HE LYS 11 -6.967 9.625 6.099 94 1HZ LYS 11 1HZ LYS 11 -6.940 8.544 8.234 95 2HZ LYS 11 2HZ LYS 11 -5.905 9.881 8.271 96 3HZ LYS 11 3HZ LYS 11 -5.265 8.323 8.152 97 H PHE 12 H PHE 12 -6.031 7.259 0.896 98 HA PHE 12 HA PHE 12 -5.323 9.802 -0.408 99 1HB PHE 12 1HB PHE 12 -3.499 7.827 0.926 100 2HB PHE 12 2HB PHE 12 -2.912 8.739 -0.457 101 HD1 PHE 12 HD2 PHE 12 -4.066 8.970 3.027 102 HD2 PHE 12 HD1 PHE 12 -2.459 11.096 -0.297 103 HE1 PHE 12 HE2 PHE 12 -3.543 10.869 4.498 104 HE2 PHE 12 HE1 PHE 12 -1.931 12.997 1.173 105 HZ PHE 12 HZ PHE 12 -2.474 12.886 3.572 106 H GLY 13 H GLY 13 -5.498 6.302 -0.594 107 1HA GLY 13 1HA GLY 13 -4.392 5.884 -3.118 108 2HA GLY 13 2HA GLY 13 -5.626 4.875 -2.382 109 H GLN 14 H GLN 14 -4.991 6.435 -5.101 110 HA GLN 14 HA GLN 14 -7.526 7.767 -5.563 111 1HB GLN 14 1HB GLN 14 -5.263 7.143 -7.486 112 2HB GLN 14 2HB GLN 14 -6.617 8.217 -7.804 113 1HG GLN 14 1HG GLN 14 -4.502 8.643 -5.698 114 2HG GLN 14 2HG GLN 14 -4.570 9.441 -7.268 115 1HE2 GLN 14 1HE2 GLN 14 -5.942 9.252 -4.087 116 2HE2 GLN 14 2HE2 GLN 14 -6.885 10.696 -4.185 117 H LEU 15 H LEU 15 -7.728 5.015 -4.878 118 HA LEU 15 HA LEU 15 -8.027 3.378 -7.202 119 1HB LEU 15 1HB LEU 15 -7.455 2.562 -4.892 120 2HB LEU 15 2HB LEU 15 -9.097 2.932 -4.408 121 HG LEU 15 HG LEU 15 -9.934 1.260 -6.044 122 1HD1 LEU 15 1HD1 LEU 15 -8.047 1.351 -7.617 123 2HD1 LEU 15 2HD1 LEU 15 -8.395 -0.295 -7.096 124 3HD1 LEU 15 3HD1 LEU 15 -7.018 0.573 -6.416 125 1HD2 LEU 15 1HD2 LEU 15 -9.229 -0.723 -4.787 126 2HD2 LEU 15 2HD2 LEU 15 -9.587 0.629 -3.711 127 3HD2 LEU 15 3HD2 LEU 15 -7.912 0.203 -4.063 128 HA PRO 16 HA PRO 16 -12.124 5.011 -8.149 129 1HB PRO 16 1HB PRO 16 -12.606 3.494 -10.341 130 2HB PRO 16 2HB PRO 16 -11.487 4.863 -10.372 131 1HG PRO 16 1HG PRO 16 -10.908 1.934 -10.181 132 2HG PRO 16 2HG PRO 16 -10.060 3.188 -11.104 133 1HD PRO 16 1HD PRO 16 -9.187 2.202 -8.696 134 2HD PRO 16 2HD PRO 16 -8.789 3.823 -9.301 135 H THR 17 H THR 17 -11.265 2.024 -7.035 136 HA THR 17 HA THR 17 -14.017 1.016 -6.870 137 HB THR 17 HB THR 17 -11.349 -0.319 -7.232 138 HG1 THR 17 HG1 THR 17 -13.658 0.016 -8.661 139 1HG2 THR 17 1HG2 THR 17 -12.342 -2.501 -6.763 140 2HG2 THR 17 2HG2 THR 17 -13.834 -1.716 -6.243 141 3HG2 THR 17 3HG2 THR 17 -12.344 -1.473 -5.331 142 HA PRO 18 HA PRO 18 -13.658 1.706 -2.510 143 1HB PRO 18 1HB PRO 18 -15.278 -0.310 -1.553 144 2HB PRO 18 2HB PRO 18 -15.872 1.218 -2.209 145 1HG PRO 18 1HG PRO 18 -15.667 -1.460 -3.524 146 2HG PRO 18 2HG PRO 18 -16.949 -0.241 -3.650 147 1HD PRO 18 1HD PRO 18 -15.085 -0.589 -5.576 148 2HD PRO 18 2HD PRO 18 -15.783 0.999 -5.218 149 H VAL 19 H VAL 19 -12.343 1.095 -0.871 150 HA VAL 19 HA VAL 19 -10.509 -1.056 -1.273 151 HB VAL 19 HB VAL 19 -10.946 0.597 1.238 152 1HG1 VAL 19 1HG1 VAL 19 -8.605 0.055 1.750 153 2HG1 VAL 19 2HG1 VAL 19 -8.529 -0.968 0.315 154 3HG1 VAL 19 3HG1 VAL 19 -9.600 -1.398 1.649 155 1HG2 VAL 19 1HG2 VAL 19 -10.550 2.045 -0.688 156 2HG2 VAL 19 2HG2 VAL 19 -9.104 1.122 -1.103 157 3HG2 VAL 19 3HG2 VAL 19 -9.156 2.055 0.393 158 H ASP 20 H ASP 20 -13.614 -0.941 -0.110 159 HA ASP 20 HA ASP 20 -13.453 -3.000 1.915 160 1HB ASP 20 1HB ASP 20 -15.186 -1.345 2.168 161 2HB ASP 20 2HB ASP 20 -15.754 -1.602 0.522 162 H THR 21 H THR 21 -13.619 -2.731 -1.421 163 HA THR 21 HA THR 21 -14.829 -5.265 -2.015 164 HB THR 21 HB THR 21 -13.662 -2.971 -3.536 165 HG1 THR 21 HG1 THR 21 -16.082 -3.841 -2.898 166 1HG2 THR 21 1HG2 THR 21 -14.254 -5.647 -4.776 167 2HG2 THR 21 2HG2 THR 21 -12.687 -4.835 -4.687 168 3HG2 THR 21 3HG2 THR 21 -13.988 -4.142 -5.657 169 H ILE 22 H ILE 22 -11.656 -4.056 -1.366 170 HA ILE 22 HA ILE 22 -10.424 -6.562 -2.324 171 HB ILE 22 HB ILE 22 -8.246 -5.326 -2.166 172 1HG1 ILE 22 1HG1 ILE 22 -10.057 -2.932 -1.710 173 2HG1 ILE 22 2HG1 ILE 22 -8.891 -3.590 -0.566 174 1HG2 ILE 22 1HG2 ILE 22 -8.558 -4.051 -4.233 175 2HG2 ILE 22 2HG2 ILE 22 -10.307 -4.115 -4.015 176 3HG2 ILE 22 3HG2 ILE 22 -9.399 -5.599 -4.300 177 1HD1 ILE 22 1HD1 ILE 22 -8.251 -2.302 -3.211 178 2HD1 ILE 22 2HD1 ILE 22 -7.073 -2.984 -2.091 179 3HD1 ILE 22 3HD1 ILE 22 -8.035 -1.587 -1.614 180 H ALA 23 H ALA 23 -8.102 -6.522 -0.832 181 HA ALA 23 HA ALA 23 -8.646 -6.314 1.972 182 1HB ALA 23 1HB ALA 23 -8.545 -8.703 2.492 183 2HB ALA 23 2HB ALA 23 -8.485 -9.088 0.772 184 3HB ALA 23 3HB ALA 23 -9.931 -8.348 1.461 185 H ASP 24 H ASP 24 -6.811 -7.418 3.223 186 HA ASP 24 HA ASP 24 -4.359 -6.338 2.444 187 1HB ASP 24 1HB ASP 24 -4.753 -8.666 4.348 188 2HB ASP 24 2HB ASP 24 -3.390 -7.553 4.314 189 H GLU 25 H GLU 25 -5.795 -9.399 1.727 190 HA GLU 25 HA GLU 25 -3.277 -10.491 0.681 191 1HB GLU 25 1HB GLU 25 -5.894 -11.939 1.143 192 2HB GLU 25 2HB GLU 25 -4.316 -12.658 0.839 193 1HG GLU 25 1HG GLU 25 -3.541 -11.645 2.996 194 2HG GLU 25 2HG GLU 25 -5.207 -11.172 3.305 195 H ALA 26 H ALA 26 -5.539 -8.608 -0.539 196 HA ALA 26 HA ALA 26 -6.183 -10.212 -2.913 197 1HB ALA 26 1HB ALA 26 -7.840 -8.518 -3.423 198 2HB ALA 26 2HB ALA 26 -7.267 -7.519 -2.087 199 3HB ALA 26 3HB ALA 26 -8.037 -9.072 -1.759 200 H ASP 27 H ASP 27 -5.505 -9.686 -4.941 201 HA ASP 27 HA ASP 27 -3.210 -8.077 -5.296 202 1HB ASP 27 1HB ASP 27 -5.176 -9.134 -7.353 203 2HB ASP 27 2HB ASP 27 -3.632 -8.386 -7.744 204 H LEU 28 H LEU 28 -3.478 -6.011 -4.637 205 HA LEU 28 HA LEU 28 -5.733 -4.445 -4.735 206 1HB LEU 28 1HB LEU 28 -2.912 -3.399 -4.975 207 2HB LEU 28 2HB LEU 28 -4.304 -2.544 -4.335 208 HG LEU 28 HG LEU 28 -2.959 -4.942 -3.071 209 1HD1 LEU 28 1HD1 LEU 28 -1.626 -2.913 -2.894 210 2HD1 LEU 28 2HD1 LEU 28 -2.290 -3.366 -1.323 211 3HD1 LEU 28 3HD1 LEU 28 -3.015 -2.041 -2.238 212 1HD2 LEU 28 1HD2 LEU 28 -5.373 -4.935 -2.646 213 2HD2 LEU 28 2HD2 LEU 28 -5.263 -3.277 -2.053 214 3HD2 LEU 28 3HD2 LEU 28 -4.456 -4.579 -1.182 215 H TYR 29 H TYR 29 -3.189 -4.696 -7.192 216 HA TYR 29 HA TYR 29 -4.066 -2.584 -8.825 217 1HB TYR 29 1HB TYR 29 -2.711 -3.673 -10.619 218 2HB TYR 29 2HB TYR 29 -1.839 -3.448 -9.109 219 HD1 TYR 29 HD2 TYR 29 -3.374 -5.939 -11.358 220 HD2 TYR 29 HD1 TYR 29 -1.091 -5.345 -7.809 221 HE1 TYR 29 HE2 TYR 29 -2.779 -8.323 -11.345 222 HE2 TYR 29 HE1 TYR 29 -0.494 -7.728 -7.793 223 HH TYR 29 HH TYR 29 -1.332 -9.842 -8.643 224 H ALA 30 H ALA 30 -5.237 -5.831 -8.473 225 HA ALA 30 HA ALA 30 -6.522 -6.096 -10.991 226 1HB ALA 30 1HB ALA 30 -5.996 -8.021 -9.557 227 2HB ALA 30 2HB ALA 30 -7.707 -7.974 -9.982 228 3HB ALA 30 3HB ALA 30 -7.183 -7.462 -8.378 229 H ALA 31 H ALA 31 -7.367 -4.506 -8.021 230 HA ALA 31 HA ALA 31 -10.163 -4.190 -8.610 231 1HB ALA 31 1HB ALA 31 -8.401 -2.675 -6.676 232 2HB ALA 31 2HB ALA 31 -9.337 -4.123 -6.306 233 3HB ALA 31 3HB ALA 31 -10.164 -2.624 -6.727 234 H GLY 32 H GLY 32 -7.250 -2.632 -9.525 235 1HA GLY 32 1HA GLY 32 -7.511 -1.232 -11.574 236 2HA GLY 32 2HA GLY 32 -8.775 -0.380 -10.698 237 H LEU 33 H LEU 33 -6.130 -1.339 -8.777 238 HA LEU 33 HA LEU 33 -5.404 1.308 -8.132 239 1HB LEU 33 1HB LEU 33 -5.091 -0.695 -6.652 240 2HB LEU 33 2HB LEU 33 -3.763 -1.194 -7.683 241 HG LEU 33 HG LEU 33 -2.583 0.936 -7.119 242 1HD1 LEU 33 1HD1 LEU 33 -4.826 1.275 -5.127 243 2HD1 LEU 33 2HD1 LEU 33 -4.520 2.294 -6.532 244 3HD1 LEU 33 3HD1 LEU 33 -3.359 2.251 -5.208 245 1HD2 LEU 33 1HD2 LEU 33 -2.053 -1.137 -5.942 246 2HD2 LEU 33 2HD2 LEU 33 -3.322 -0.803 -4.764 247 3HD2 LEU 33 3HD2 LEU 33 -1.915 0.254 -4.869 248 H SER 34 H SER 34 -4.512 2.636 -9.548 249 HA SER 34 HA SER 34 -2.779 1.607 -11.660 250 1HB SER 34 1HB SER 34 -4.045 4.336 -11.261 251 2HB SER 34 2HB SER 34 -3.118 3.840 -12.678 252 HG SER 34 HG SER 34 -5.462 2.509 -11.772 253 H SER 35 H SER 35 -1.016 3.318 -12.308 254 HA SER 35 HA SER 35 1.070 3.079 -10.545 255 1HB SER 35 1HB SER 35 2.143 4.917 -11.927 256 2HB SER 35 2HB SER 35 1.466 3.582 -12.862 257 HG SER 35 HG SER 35 0.621 5.286 -13.866 258 H PHE 36 H PHE 36 -0.452 6.223 -11.259 259 HA PHE 36 HA PHE 36 0.716 7.611 -9.140 260 1HB PHE 36 1HB PHE 36 -1.901 8.183 -10.565 261 2HB PHE 36 2HB PHE 36 -1.046 9.323 -9.531 262 HD1 PHE 36 HD1 PHE 36 1.075 10.313 -10.251 263 HD2 PHE 36 HD2 PHE 36 -1.132 7.707 -12.802 264 HE1 PHE 36 HE1 PHE 36 2.402 11.075 -12.175 265 HE2 PHE 36 HE2 PHE 36 0.195 8.468 -14.727 266 HZ PHE 36 HZ PHE 36 1.967 10.153 -14.415 267 H ALA 37 H ALA 37 -2.259 5.748 -9.265 268 HA ALA 37 HA ALA 37 -3.375 6.552 -6.810 269 1HB ALA 37 1HB ALA 37 -4.632 5.303 -8.512 270 2HB ALA 37 2HB ALA 37 -4.708 4.510 -6.938 271 3HB ALA 37 3HB ALA 37 -3.643 3.877 -8.195 272 H SER 38 H SER 38 -1.021 4.072 -7.640 273 HA SER 38 HA SER 38 -0.857 2.941 -5.019 274 1HB SER 38 1HB SER 38 1.121 2.762 -7.313 275 2HB SER 38 2HB SER 38 1.051 1.696 -5.909 276 HG SER 38 HG SER 38 -0.724 1.896 -8.084 277 H VAL 39 H VAL 39 1.217 5.122 -6.921 278 HA VAL 39 HA VAL 39 3.229 5.524 -5.039 279 HB VAL 39 HB VAL 39 2.187 7.509 -7.081 280 1HG1 VAL 39 1HG1 VAL 39 3.570 8.609 -5.398 281 2HG1 VAL 39 2HG1 VAL 39 4.416 8.534 -6.944 282 3HG1 VAL 39 3HG1 VAL 39 4.849 7.420 -5.647 283 1HG2 VAL 39 1HG2 VAL 39 2.849 5.384 -8.099 284 2HG2 VAL 39 2HG2 VAL 39 4.418 5.477 -7.298 285 3HG2 VAL 39 3HG2 VAL 39 3.983 6.667 -8.526 286 H GLN 40 H GLN 40 0.072 7.019 -5.360 287 HA GLN 40 HA GLN 40 0.499 9.224 -3.681 288 1HB GLN 40 1HB GLN 40 -1.415 8.932 -5.286 289 2HB GLN 40 2HB GLN 40 -2.128 7.795 -4.149 290 1HG GLN 40 1HG GLN 40 -3.154 9.979 -3.935 291 2HG GLN 40 2HG GLN 40 -2.271 9.565 -2.465 292 1HE2 GLN 40 1HE2 GLN 40 -2.061 11.713 -1.847 293 2HE2 GLN 40 2HE2 GLN 40 -0.997 12.809 -2.651 294 H LEU 41 H LEU 41 -0.571 5.928 -2.987 295 HA LEU 41 HA LEU 41 -1.287 6.418 -0.280 296 1HB LEU 41 1HB LEU 41 -1.654 4.133 -0.093 297 2HB LEU 41 2HB LEU 41 -1.888 4.402 -1.804 298 HG LEU 41 HG LEU 41 0.705 3.705 -1.870 299 1HD1 LEU 41 1HD1 LEU 41 0.926 3.421 0.539 300 2HD1 LEU 41 2HD1 LEU 41 1.153 1.887 -0.298 301 3HD1 LEU 41 3HD1 LEU 41 -0.369 2.222 0.531 302 1HD2 LEU 41 1HD2 LEU 41 -0.005 1.438 -2.435 303 2HD2 LEU 41 2HD2 LEU 41 -1.089 2.639 -3.138 304 3HD2 LEU 41 3HD2 LEU 41 -1.581 1.740 -1.702 305 H MET 42 H MET 42 1.689 5.828 -1.937 306 HA MET 42 HA MET 42 3.224 4.977 0.319 307 1HB MET 42 1HB MET 42 4.313 6.251 -2.199 308 2HB MET 42 2HB MET 42 5.121 5.114 -1.127 309 1HG MET 42 1HG MET 42 3.541 3.364 -1.818 310 2HG MET 42 2HG MET 42 2.773 4.516 -2.915 311 1HE MET 42 1HE MET 42 4.610 2.132 -5.406 312 2HE MET 42 2HE MET 42 3.082 2.905 -4.990 313 3HE MET 42 3HE MET 42 3.781 1.698 -3.912 314 H LEU 43 H LEU 43 2.815 8.031 -1.417 315 HA LEU 43 HA LEU 43 4.708 9.586 -0.124 316 1HB LEU 43 1HB LEU 43 1.994 10.528 -1.077 317 2HB LEU 43 2HB LEU 43 3.427 11.518 -0.860 318 HG LEU 43 HG LEU 43 3.049 9.352 -2.938 319 1HD1 LEU 43 1HD1 LEU 43 3.280 12.348 -3.218 320 2HD1 LEU 43 2HD1 LEU 43 1.812 11.394 -3.429 321 3HD1 LEU 43 3HD1 LEU 43 3.164 11.190 -4.543 322 1HD2 LEU 43 1HD2 LEU 43 5.363 9.393 -2.180 323 2HD2 LEU 43 2HD2 LEU 43 5.433 11.138 -2.432 324 3HD2 LEU 43 3HD2 LEU 43 5.233 10.053 -3.810 325 H GLY 44 H GLY 44 1.315 9.032 0.759 326 1HA GLY 44 1HA GLY 44 1.423 10.663 3.112 327 2HA GLY 44 2HA GLY 44 0.148 9.529 2.682 328 H ILE 45 H ILE 45 1.722 7.194 2.476 329 HA ILE 45 HA ILE 45 1.665 6.344 5.150 330 HB ILE 45 HB ILE 45 2.316 5.140 2.553 331 1HG1 ILE 45 1HG1 ILE 45 0.166 4.837 3.698 332 2HG1 ILE 45 2HG1 ILE 45 0.968 3.291 3.441 333 1HG2 ILE 45 1HG2 ILE 45 3.611 3.976 5.015 334 2HG2 ILE 45 2HG2 ILE 45 4.435 4.610 3.589 335 3HG2 ILE 45 3HG2 ILE 45 3.451 3.151 3.464 336 1HD1 ILE 45 1HD1 ILE 45 0.931 4.829 6.032 337 2HD1 ILE 45 2HD1 ILE 45 1.663 3.246 5.766 338 3HD1 ILE 45 3HD1 ILE 45 -0.085 3.443 5.639 339 H GLU 46 H GLU 46 4.219 7.726 3.230 340 HA GLU 46 HA GLU 46 6.463 6.956 4.688 341 1HB GLU 46 1HB GLU 46 6.575 8.238 2.569 342 2HB GLU 46 2HB GLU 46 5.968 9.661 3.409 343 1HG GLU 46 1HG GLU 46 7.965 9.565 4.896 344 2HG GLU 46 2HG GLU 46 8.583 8.244 3.910 345 H GLU 47 H GLU 47 4.459 9.874 5.132 346 HA GLU 47 HA GLU 47 5.823 10.659 7.510 347 1HB GLU 47 1HB GLU 47 4.066 12.356 7.755 348 2HB GLU 47 2HB GLU 47 4.708 12.333 6.121 349 1HG GLU 47 1HG GLU 47 2.767 11.243 5.282 350 2HG GLU 47 2HG GLU 47 2.163 10.935 6.908 351 H ALA 48 H ALA 48 3.114 8.625 6.804 352 HA ALA 48 HA ALA 48 1.620 8.750 9.111 353 1HB ALA 48 1HB ALA 48 0.791 6.531 8.554 354 2HB ALA 48 2HB ALA 48 2.147 6.285 7.451 355 3HB ALA 48 3HB ALA 48 0.941 7.525 7.103 356 H PHE 49 H PHE 49 4.401 6.515 8.519 357 HA PHE 49 HA PHE 49 4.555 6.280 11.452 358 1HB PHE 49 1HB PHE 49 5.142 3.903 11.281 359 2HB PHE 49 2HB PHE 49 3.534 4.239 10.665 360 HD1 PHE 49 HD1 PHE 49 6.970 3.286 9.749 361 HD2 PHE 49 HD2 PHE 49 2.985 3.874 8.357 362 HE1 PHE 49 HE1 PHE 49 7.521 2.089 7.672 363 HE2 PHE 49 HE2 PHE 49 3.535 2.680 6.281 364 HZ PHE 49 HZ PHE 49 5.802 1.787 5.934 365 H ASP 50 H ASP 50 6.410 6.357 8.428 366 HA ASP 50 HA ASP 50 8.742 7.279 9.690 367 1HB ASP 50 1HB ASP 50 8.868 5.058 10.697 368 2HB ASP 50 2HB ASP 50 8.773 4.305 9.110 369 H ILE 51 H ILE 51 8.285 4.827 7.113 370 HA ILE 51 HA ILE 51 9.206 6.795 5.139 371 HB ILE 51 HB ILE 51 10.811 5.370 4.116 372 1HG1 ILE 51 1HG1 ILE 51 9.685 3.205 4.386 373 2HG1 ILE 51 2HG1 ILE 51 11.367 3.105 4.880 374 1HG2 ILE 51 1HG2 ILE 51 12.513 5.077 5.852 375 2HG2 ILE 51 2HG2 ILE 51 11.281 5.312 7.091 376 3HG2 ILE 51 3HG2 ILE 51 11.681 6.625 5.987 377 1HD1 ILE 51 1HD1 ILE 51 8.967 3.239 6.690 378 2HD1 ILE 51 2HD1 ILE 51 10.644 3.241 7.233 379 3HD1 ILE 51 3HD1 ILE 51 9.995 1.841 6.383 380 H GLU 52 H GLU 52 9.050 5.827 2.872 381 HA GLU 52 HA GLU 52 6.633 4.168 2.667 382 1HB GLU 52 1HB GLU 52 6.726 5.119 0.205 383 2HB GLU 52 2HB GLU 52 6.013 6.046 1.512 384 1HG GLU 52 1HG GLU 52 7.323 7.537 0.241 385 2HG GLU 52 2HG GLU 52 8.195 7.250 1.743 386 H PHE 53 H PHE 53 6.615 2.863 0.554 387 HA PHE 53 HA PHE 53 8.531 0.853 0.879 388 1HB PHE 53 1HB PHE 53 6.711 1.320 -1.498 389 2HB PHE 53 2HB PHE 53 7.499 -0.199 -1.075 390 HD1 PHE 53 HD1 PHE 53 6.943 -1.177 1.264 391 HD2 PHE 53 HD2 PHE 53 4.563 1.765 -0.699 392 HE1 PHE 53 HE1 PHE 53 5.023 -1.786 2.678 393 HE2 PHE 53 HE2 PHE 53 2.644 1.155 0.713 394 HZ PHE 53 HZ PHE 53 2.872 -0.621 2.403 395 HA PRO 54 HA PRO 54 11.947 2.801 -1.211 396 1HB PRO 54 1HB PRO 54 13.548 0.555 -1.355 397 2HB PRO 54 2HB PRO 54 13.394 1.585 0.073 398 1HG PRO 54 1HG PRO 54 12.006 -0.995 -0.559 399 2HG PRO 54 2HG PRO 54 12.732 -0.459 0.971 400 1HD PRO 54 1HD PRO 54 10.088 -0.353 0.596 401 2HD PRO 54 2HD PRO 54 10.932 0.936 1.476 402 H ASP 55 H ASP 55 12.826 2.948 -3.209 403 HA ASP 55 HA ASP 55 11.328 2.202 -5.421 404 1HB ASP 55 1HB ASP 55 12.871 4.105 -5.413 405 2HB ASP 55 2HB ASP 55 14.246 3.014 -5.280 406 H ASN 56 H ASN 56 13.922 0.535 -3.816 407 HA ASN 56 HA ASN 56 14.858 -1.200 -5.749 408 1HB ASN 56 1HB ASN 56 14.389 -1.795 -2.812 409 2HB ASN 56 2HB ASN 56 15.381 -2.771 -3.890 410 1HD2 ASN 56 1HD2 ASN 56 17.255 -2.481 -2.742 411 2HD2 ASN 56 2HD2 ASN 56 18.085 -0.966 -2.645 412 H LEU 57 H LEU 57 11.896 -1.450 -3.831 413 HA LEU 57 HA LEU 57 11.208 -3.914 -5.305 414 1HB LEU 57 1HB LEU 57 9.683 -4.421 -3.388 415 2HB LEU 57 2HB LEU 57 11.389 -4.437 -2.997 416 HG LEU 57 HG LEU 57 11.041 -2.050 -2.100 417 1HD1 LEU 57 1HD1 LEU 57 8.868 -1.591 -3.083 418 2HD1 LEU 57 2HD1 LEU 57 8.777 -1.520 -1.324 419 3HD1 LEU 57 3HD1 LEU 57 8.154 -2.930 -2.183 420 1HD2 LEU 57 1HD2 LEU 57 11.444 -3.977 -0.668 421 2HD2 LEU 57 2HD2 LEU 57 9.726 -4.374 -0.693 422 3HD2 LEU 57 3HD2 LEU 57 10.275 -2.880 0.068 423 H LEU 58 H LEU 58 10.586 -0.707 -5.283 424 HA LEU 58 HA LEU 58 7.737 -0.656 -5.361 425 1HB LEU 58 1HB LEU 58 9.423 1.255 -4.858 426 2HB LEU 58 2HB LEU 58 9.509 1.441 -6.597 427 HG LEU 58 HG LEU 58 6.933 1.654 -5.021 428 1HD1 LEU 58 1HD1 LEU 58 8.746 3.866 -5.985 429 2HD1 LEU 58 2HD1 LEU 58 8.492 3.390 -4.306 430 3HD1 LEU 58 3HD1 LEU 58 7.161 4.073 -5.239 431 1HD2 LEU 58 1HD2 LEU 58 6.087 2.776 -7.030 432 2HD2 LEU 58 2HD2 LEU 58 6.602 1.128 -7.383 433 3HD2 LEU 58 3HD2 LEU 58 7.626 2.489 -7.843 434 H ASN 59 H ASN 59 7.378 -2.398 -6.813 435 HA ASN 59 HA ASN 59 6.388 -1.794 -9.261 436 1HB ASN 59 1HB ASN 59 8.609 -1.223 -10.105 437 2HB ASN 59 2HB ASN 59 9.248 -2.773 -9.568 438 1HD2 ASN 59 1HD2 ASN 59 7.136 -1.189 -11.867 439 2HD2 ASN 59 2HD2 ASN 59 7.108 -2.482 -13.018 440 H ARG 60 H ARG 60 8.134 -4.115 -7.339 441 HA ARG 60 HA ARG 60 7.313 -6.436 -8.773 442 1HB ARG 60 1HB ARG 60 8.529 -6.106 -6.024 443 2HB ARG 60 2HB ARG 60 8.298 -7.656 -6.831 444 1HG ARG 60 1HG ARG 60 9.783 -6.984 -8.625 445 2HG ARG 60 2HG ARG 60 9.957 -5.380 -7.917 446 1HD ARG 60 1HD ARG 60 11.041 -6.351 -5.954 447 2HD ARG 60 2HD ARG 60 10.836 -7.970 -6.631 448 HE ARG 60 HE ARG 60 12.188 -6.640 -8.572 449 1HH1 ARG 60 1HH1 ARG 60 12.798 -7.147 -5.157 450 2HH1 ARG 60 2HH1 ARG 60 14.519 -7.058 -5.332 451 1HH2 ARG 60 1HH2 ARG 60 14.429 -6.555 -8.797 452 2HH2 ARG 60 2HH2 ARG 60 15.452 -6.728 -7.405 453 H LYS 61 H LYS 61 6.160 -8.250 -7.738 454 HA LYS 61 HA LYS 61 3.489 -7.512 -7.367 455 1HB LYS 61 1HB LYS 61 3.073 -9.910 -6.964 456 2HB LYS 61 2HB LYS 61 4.099 -9.636 -8.365 457 1HG LYS 61 1HG LYS 61 6.047 -10.323 -7.186 458 2HG LYS 61 2HG LYS 61 5.191 -10.327 -5.643 459 1HD LYS 61 1HD LYS 61 4.576 -12.163 -7.967 460 2HD LYS 61 2HD LYS 61 5.557 -12.601 -6.567 461 1HE LYS 61 1HE LYS 61 3.610 -12.131 -5.105 462 2HE LYS 61 2HE LYS 61 2.640 -11.810 -6.543 463 1HZ LYS 61 1HZ LYS 61 2.986 -14.075 -7.259 464 2HZ LYS 61 2HZ LYS 61 2.335 -14.068 -5.698 465 3HZ LYS 61 3HZ LYS 61 3.980 -14.387 -5.929 466 H SER 62 H SER 62 5.915 -7.463 -5.042 467 HA SER 62 HA SER 62 4.875 -8.554 -2.758 468 1HB SER 62 1HB SER 62 6.379 -5.930 -2.956 469 2HB SER 62 2HB SER 62 6.240 -6.942 -1.514 470 HG SER 62 HG SER 62 8.099 -7.618 -2.359 471 H PHE 63 H PHE 63 3.920 -5.529 -4.287 472 HA PHE 63 HA PHE 63 2.465 -4.428 -2.128 473 1HB PHE 63 1HB PHE 63 2.190 -4.004 -5.116 474 2HB PHE 63 2HB PHE 63 1.347 -3.043 -3.905 475 HD1 PHE 63 HD1 PHE 63 4.614 -3.816 -5.391 476 HD2 PHE 63 HD2 PHE 63 2.506 -1.383 -2.603 477 HE1 PHE 63 HE1 PHE 63 6.559 -2.322 -5.227 478 HE2 PHE 63 HE2 PHE 63 4.449 0.116 -2.440 479 HZ PHE 63 HZ PHE 63 6.479 -0.352 -3.753 480 H ALA 64 H ALA 64 1.680 -6.887 -4.445 481 HA ALA 64 HA ALA 64 -1.147 -6.763 -4.263 482 1HB ALA 64 1HB ALA 64 0.580 -9.140 -4.962 483 2HB ALA 64 2HB ALA 64 0.050 -7.899 -6.095 484 3HB ALA 64 3HB ALA 64 -1.136 -8.947 -5.320 485 H SER 65 H SER 65 1.321 -8.153 -2.266 486 HA SER 65 HA SER 65 -0.748 -9.337 -0.525 487 1HB SER 65 1HB SER 65 2.150 -10.186 -0.847 488 2HB SER 65 2HB SER 65 0.988 -10.907 0.267 489 HG SER 65 HG SER 65 -0.125 -10.902 -2.134 490 H ILE 66 H ILE 66 -1.084 -7.436 0.627 491 HA ILE 66 HA ILE 66 0.871 -5.668 1.525 492 HB ILE 66 HB ILE 66 -1.812 -6.254 2.804 493 1HG1 ILE 66 1HG1 ILE 66 -1.009 -4.207 0.708 494 2HG1 ILE 66 2HG1 ILE 66 -1.982 -5.645 0.420 495 1HG2 ILE 66 1HG2 ILE 66 -1.648 -3.984 3.737 496 2HG2 ILE 66 2HG2 ILE 66 -0.028 -3.824 3.062 497 3HG2 ILE 66 3HG2 ILE 66 -0.344 -5.019 4.318 498 1HD1 ILE 66 1HD1 ILE 66 -3.367 -3.670 0.530 499 2HD1 ILE 66 2HD1 ILE 66 -2.750 -3.298 2.139 500 3HD1 ILE 66 3HD1 ILE 66 -3.725 -4.745 1.880 501 H LYS 67 H LYS 67 -0.589 -8.437 3.192 502 HA LYS 67 HA LYS 67 0.694 -8.186 5.645 503 1HB LYS 67 1HB LYS 67 0.220 -10.529 6.032 504 2HB LYS 67 2HB LYS 67 -1.151 -9.777 5.237 505 1HG LYS 67 1HG LYS 67 0.900 -11.258 3.627 506 2HG LYS 67 2HG LYS 67 -0.363 -12.131 4.492 507 1HD LYS 67 1HD LYS 67 -2.066 -10.815 3.295 508 2HD LYS 67 2HD LYS 67 -0.795 -9.989 2.401 509 1HE LYS 67 1HE LYS 67 -1.794 -11.801 1.084 510 2HE LYS 67 2HE LYS 67 -0.087 -12.092 1.403 511 1HZ LYS 67 1HZ LYS 67 -1.494 -14.079 1.683 512 2HZ LYS 67 2HZ LYS 67 -2.312 -13.322 2.955 513 3HZ LYS 67 3HZ LYS 67 -0.661 -13.670 3.101 514 H ALA 68 H ALA 68 1.936 -9.340 2.607 515 HA ALA 68 HA ALA 68 4.288 -10.557 3.772 516 1HB ALA 68 1HB ALA 68 4.985 -10.945 1.461 517 2HB ALA 68 2HB ALA 68 3.641 -9.960 0.882 518 3HB ALA 68 3HB ALA 68 3.324 -11.480 1.720 519 H ILE 69 H ILE 69 3.585 -7.683 1.790 520 HA ILE 69 HA ILE 69 6.277 -6.823 1.658 521 HB ILE 69 HB ILE 69 4.521 -6.167 0.017 522 1HG1 ILE 69 1HG1 ILE 69 5.924 -3.815 1.324 523 2HG1 ILE 69 2HG1 ILE 69 6.688 -4.951 0.216 524 1HG2 ILE 69 1HG2 ILE 69 3.597 -4.280 2.187 525 2HG2 ILE 69 2HG2 ILE 69 2.710 -5.680 1.586 526 3HG2 ILE 69 3HG2 ILE 69 3.018 -4.309 0.520 527 1HD1 ILE 69 1HD1 ILE 69 4.409 -3.093 -0.439 528 2HD1 ILE 69 2HD1 ILE 69 5.151 -4.243 -1.553 529 3HD1 ILE 69 3HD1 ILE 69 6.095 -2.897 -0.915 530 H GLU 70 H GLU 70 3.691 -6.202 3.957 531 HA GLU 70 HA GLU 70 4.801 -3.957 5.224 532 1HB GLU 70 1HB GLU 70 3.344 -4.428 7.099 533 2HB GLU 70 2HB GLU 70 2.478 -4.693 5.596 534 1HG GLU 70 1HG GLU 70 1.799 -6.466 6.914 535 2HG GLU 70 2HG GLU 70 3.077 -7.177 5.931 536 H ASP 71 H ASP 71 5.536 -7.351 5.467 537 HA ASP 71 HA ASP 71 7.208 -7.168 7.773 538 1HB ASP 71 1HB ASP 71 6.255 -9.315 6.975 539 2HB ASP 71 2HB ASP 71 7.250 -9.208 5.527 540 H THR 72 H THR 72 7.715 -6.963 4.296 541 HA THR 72 HA THR 72 10.529 -6.851 4.324 542 HB THR 72 HB THR 72 8.737 -5.556 2.255 543 HG1 THR 72 HG1 THR 72 9.174 -8.247 2.884 544 1HG2 THR 72 1HG2 THR 72 11.136 -5.102 2.007 545 2HG2 THR 72 2HG2 THR 72 10.560 -6.156 0.716 546 3HG2 THR 72 3HG2 THR 72 11.477 -6.831 2.062 547 H VAL 73 H VAL 73 8.044 -4.330 4.572 548 HA VAL 73 HA VAL 73 9.942 -2.181 4.485 549 HB VAL 73 HB VAL 73 7.607 -1.815 3.802 550 1HG1 VAL 73 1HG1 VAL 73 6.938 -2.158 6.720 551 2HG1 VAL 73 2HG1 VAL 73 6.471 -3.234 5.405 552 3HG1 VAL 73 3HG1 VAL 73 5.828 -1.593 5.470 553 1HG2 VAL 73 1HG2 VAL 73 8.926 0.113 4.466 554 2HG2 VAL 73 2HG2 VAL 73 8.463 -0.118 6.152 555 3HG2 VAL 73 3HG2 VAL 73 7.247 0.334 4.955 556 H LYS 74 H LYS 74 8.529 -4.157 7.035 557 HA LYS 74 HA LYS 74 9.327 -2.699 9.284 558 1HB LYS 74 1HB LYS 74 9.043 -5.646 8.771 559 2HB LYS 74 2HB LYS 74 9.727 -5.088 10.288 560 1HG LYS 74 1HG LYS 74 7.587 -3.655 10.476 561 2HG LYS 74 2HG LYS 74 6.943 -4.742 9.239 562 1HD LYS 74 1HD LYS 74 8.210 -5.710 11.797 563 2HD LYS 74 2HD LYS 74 6.481 -5.399 11.648 564 1HE LYS 74 1HE LYS 74 7.967 -7.280 9.822 565 2HE LYS 74 2HE LYS 74 7.239 -7.803 11.341 566 1HZ LYS 74 1HZ LYS 74 5.097 -7.130 10.547 567 2HZ LYS 74 2HZ LYS 74 5.793 -8.159 9.407 568 3HZ LYS 74 3HZ LYS 74 5.754 -6.493 9.127 569 H LEU 75 H LEU 75 11.123 -4.914 7.238 570 HA LEU 75 HA LEU 75 13.517 -5.112 8.588 571 1HB LEU 75 1HB LEU 75 13.129 -4.862 5.600 572 2HB LEU 75 2HB LEU 75 14.584 -5.454 6.380 573 HG LEU 75 HG LEU 75 11.865 -6.780 6.499 574 1HD1 LEU 75 1HD1 LEU 75 12.873 -8.516 5.109 575 2HD1 LEU 75 2HD1 LEU 75 14.369 -7.586 5.013 576 3HD1 LEU 75 3HD1 LEU 75 12.889 -6.954 4.288 577 1HD2 LEU 75 1HD2 LEU 75 13.134 -7.166 8.541 578 2HD2 LEU 75 2HD2 LEU 75 14.535 -7.677 7.597 579 3HD2 LEU 75 3HD2 LEU 75 13.056 -8.639 7.575 580 H ILE 76 H ILE 76 12.279 -2.385 6.763 581 HA ILE 76 HA ILE 76 14.702 -0.897 6.633 582 HB ILE 76 HB ILE 76 11.874 0.192 6.670 583 1HG1 ILE 76 1HG1 ILE 76 13.559 -0.634 4.279 584 2HG1 ILE 76 2HG1 ILE 76 12.197 -1.548 4.916 585 1HG2 ILE 76 1HG2 ILE 76 14.444 1.371 5.595 586 2HG2 ILE 76 2HG2 ILE 76 13.573 1.902 7.035 587 3HG2 ILE 76 3HG2 ILE 76 12.839 2.093 5.443 588 1HD1 ILE 76 1HD1 ILE 76 12.111 1.196 3.690 589 2HD1 ILE 76 2HD1 ILE 76 10.733 0.365 4.409 590 3HD1 ILE 76 3HD1 ILE 76 11.520 -0.309 2.985 591 H LEU 77 H LEU 77 11.971 -0.925 8.900 592 HA LEU 77 HA LEU 77 12.955 1.010 10.707 593 1HB LEU 77 1HB LEU 77 11.053 -1.314 11.038 594 2HB LEU 77 2HB LEU 77 11.484 -0.285 12.388 595 HG LEU 77 HG LEU 77 9.335 0.370 11.458 596 1HD1 LEU 77 1HD1 LEU 77 10.732 2.102 12.440 597 2HD1 LEU 77 2HD1 LEU 77 9.771 2.748 11.110 598 3HD1 LEU 77 3HD1 LEU 77 11.485 2.404 10.873 599 1HD2 LEU 77 1HD2 LEU 77 9.133 1.296 9.201 600 2HD2 LEU 77 2HD2 LEU 77 9.638 -0.393 9.159 601 3HD2 LEU 77 3HD2 LEU 77 10.818 0.887 8.877 602 H ASP 78 H ASP 78 13.572 -2.386 10.274 603 HA ASP 78 HA ASP 78 15.023 -2.804 12.697 604 1HB ASP 78 1HB ASP 78 14.023 -4.679 11.513 605 2HB ASP 78 2HB ASP 78 14.975 -4.328 10.077 606 H GLY 79 H GLY 79 15.851 -1.823 9.430 607 1HA GLY 79 1HA GLY 79 18.697 -1.597 10.210 608 2HA GLY 79 2HA GLY 79 18.140 -1.916 8.574 609 H LYS 80 H LYS 80 16.977 0.469 10.923 610 HA LYS 80 HA LYS 80 16.796 2.633 9.179 611 1HB LYS 80 1HB LYS 80 17.347 2.595 12.159 612 2HB LYS 80 2HB LYS 80 16.919 4.041 11.257 613 1HG LYS 80 1HG LYS 80 15.090 1.713 11.049 614 2HG LYS 80 2HG LYS 80 15.130 2.592 12.577 615 1HD LYS 80 1HD LYS 80 13.399 3.465 11.124 616 2HD LYS 80 2HD LYS 80 14.634 4.682 11.398 617 1HE LYS 80 1HE LYS 80 15.627 4.034 9.183 618 2HE LYS 80 2HE LYS 80 14.221 3.001 8.922 619 1HZ LYS 80 1HZ LYS 80 13.929 5.128 7.853 620 2HZ LYS 80 2HZ LYS 80 14.180 5.946 9.311 621 3HZ LYS 80 3HZ LYS 80 12.814 4.973 9.115 622 H GLU 81 H GLU 81 19.370 1.677 11.332 623 HA GLU 81 HA GLU 81 21.222 3.711 10.779 624 1HB GLU 81 1HB GLU 81 22.882 2.217 11.768 625 2HB GLU 81 2HB GLU 81 21.389 2.184 12.696 626 1HG GLU 81 1HG GLU 81 20.777 0.088 11.430 627 2HG GLU 81 2HG GLU 81 22.421 0.088 10.794 628 H ALA 82 H ALA 82 20.165 1.185 8.773 629 HA ALA 82 HA ALA 82 22.588 1.294 7.104 630 1HB ALA 82 1HB ALA 82 20.282 -0.659 7.005 631 2HB ALA 82 2HB ALA 82 21.845 -0.949 7.770 632 3HB ALA 82 3HB ALA 82 21.746 -0.727 6.023 633 H ALA 83 H ALA 83 19.267 2.227 7.247 634 HA ALA 83 HA ALA 83 19.277 2.953 4.388 635 1HB ALA 83 1HB ALA 83 17.489 1.399 5.024 636 2HB ALA 83 2HB ALA 83 16.833 2.955 4.517 637 3HB ALA 83 3HB ALA 83 16.911 2.549 6.232 Start of MODEL 3 1 HA MET 1 HA MET 1 1.975 0.991 9.953 2 1HB MET 1 1HB MET 1 3.506 -1.384 10.941 3 2HB MET 1 2HB MET 1 3.756 -0.861 9.280 4 1HG MET 1 1HG MET 1 4.632 1.194 9.923 5 2HG MET 1 2HG MET 1 3.938 1.093 11.536 6 1HE MET 1 1HE MET 1 6.715 -0.231 9.109 7 2HE MET 1 2HE MET 1 5.939 -1.736 9.599 8 3HE MET 1 3HE MET 1 7.582 -1.377 10.130 9 H ASN 2 H ASN 2 1.481 -2.577 10.008 10 HA ASN 2 HA ASN 2 1.093 -2.808 7.254 11 1HB ASN 2 1HB ASN 2 0.105 -5.013 7.698 12 2HB ASN 2 2HB ASN 2 1.552 -4.756 8.666 13 1HD2 ASN 2 1HD2 ASN 2 -0.752 -6.554 9.046 14 2HD2 ASN 2 2HD2 ASN 2 -1.363 -6.186 10.621 15 H ALA 3 H ALA 3 -1.352 -2.445 9.814 16 HA ALA 3 HA ALA 3 -3.597 -2.466 8.082 17 1HB ALA 3 1HB ALA 3 -3.794 -2.849 10.496 18 2HB ALA 3 2HB ALA 3 -4.832 -1.524 9.973 19 3HB ALA 3 3HB ALA 3 -3.314 -1.180 10.805 20 H THR 4 H THR 4 -1.604 0.103 9.428 21 HA THR 4 HA THR 4 -2.852 2.367 8.462 22 HB THR 4 HB THR 4 0.140 1.895 8.571 23 HG1 THR 4 HG1 THR 4 -0.609 3.024 10.796 24 1HG2 THR 4 1HG2 THR 4 0.274 4.273 9.109 25 2HG2 THR 4 2HG2 THR 4 -1.479 4.417 8.968 26 3HG2 THR 4 3HG2 THR 4 -0.508 4.025 7.547 27 H ILE 5 H ILE 5 -0.550 0.232 6.865 28 HA ILE 5 HA ILE 5 -0.167 1.762 4.527 29 HB ILE 5 HB ILE 5 0.272 -1.186 5.047 30 1HG1 ILE 5 1HG1 ILE 5 2.311 1.050 4.905 31 2HG1 ILE 5 2HG1 ILE 5 1.555 0.548 6.412 32 1HG2 ILE 5 1HG2 ILE 5 1.227 0.503 2.729 33 2HG2 ILE 5 2HG2 ILE 5 0.055 -0.812 2.652 34 3HG2 ILE 5 3HG2 ILE 5 1.733 -1.152 3.064 35 1HD1 ILE 5 1HD1 ILE 5 3.728 -0.457 6.192 36 2HD1 ILE 5 2HD1 ILE 5 3.284 -1.157 4.633 37 3HD1 ILE 5 3HD1 ILE 5 2.482 -1.703 6.107 38 H ARG 6 H ARG 6 -2.262 -1.064 5.178 39 HA ARG 6 HA ARG 6 -3.355 -1.104 2.540 40 1HB ARG 6 1HB ARG 6 -5.004 -2.677 3.440 41 2HB ARG 6 2HB ARG 6 -3.380 -3.101 3.963 42 1HG ARG 6 1HG ARG 6 -3.820 -2.074 6.147 43 2HG ARG 6 2HG ARG 6 -5.457 -1.674 5.624 44 1HD ARG 6 1HD ARG 6 -4.317 -4.465 5.802 45 2HD ARG 6 2HD ARG 6 -5.358 -3.716 7.012 46 HE ARG 6 HE ARG 6 -6.832 -3.513 4.760 47 1HH1 ARG 6 1HH1 ARG 6 -5.173 -6.195 6.278 48 2HH1 ARG 6 2HH1 ARG 6 -6.292 -7.386 5.690 49 1HH2 ARG 6 1HH2 ARG 6 -8.326 -5.078 4.002 50 2HH2 ARG 6 2HH2 ARG 6 -8.111 -6.744 4.446 51 H GLU 7 H GLU 7 -4.113 0.583 5.471 52 HA GLU 7 HA GLU 7 -6.789 1.316 4.782 53 1HB GLU 7 1HB GLU 7 -6.152 1.187 7.104 54 2HB GLU 7 2HB GLU 7 -4.853 2.346 6.865 55 1HG GLU 7 1HG GLU 7 -6.452 4.116 6.464 56 2HG GLU 7 2HG GLU 7 -7.791 2.972 6.579 57 H ILE 8 H ILE 8 -3.603 2.824 4.379 58 HA ILE 8 HA ILE 8 -4.501 5.439 3.992 59 HB ILE 8 HB ILE 8 -2.084 4.788 4.317 60 1HG1 ILE 8 1HG1 ILE 8 -2.735 6.628 2.003 61 2HG1 ILE 8 2HG1 ILE 8 -2.862 7.060 3.702 62 1HG2 ILE 8 1HG2 ILE 8 -2.224 4.239 1.350 63 2HG2 ILE 8 2HG2 ILE 8 -1.936 3.043 2.613 64 3HG2 ILE 8 3HG2 ILE 8 -0.752 4.315 2.318 65 1HD1 ILE 8 1HD1 ILE 8 -0.857 7.957 2.703 66 2HD1 ILE 8 2HD1 ILE 8 -0.337 6.335 2.249 67 3HD1 ILE 8 3HD1 ILE 8 -0.463 6.778 3.952 68 H LEU 9 H LEU 9 -4.399 2.739 1.763 69 HA LEU 9 HA LEU 9 -4.610 4.049 -0.680 70 1HB LEU 9 1HB LEU 9 -5.678 1.412 0.293 71 2HB LEU 9 2HB LEU 9 -6.038 1.970 -1.328 72 HG LEU 9 HG LEU 9 -4.158 0.427 -1.355 73 1HD1 LEU 9 1HD1 LEU 9 -3.283 3.262 -1.917 74 2HD1 LEU 9 2HD1 LEU 9 -4.191 2.219 -3.014 75 3HD1 LEU 9 3HD1 LEU 9 -2.539 1.799 -2.563 76 1HD2 LEU 9 1HD2 LEU 9 -2.035 0.976 -0.279 77 2HD2 LEU 9 2HD2 LEU 9 -3.323 0.804 0.912 78 3HD2 LEU 9 3HD2 LEU 9 -2.763 2.412 0.445 79 H ALA 10 H ALA 10 -6.968 3.720 1.840 80 HA ALA 10 HA ALA 10 -9.267 4.279 0.236 81 1HB ALA 10 1HB ALA 10 -10.422 4.535 2.401 82 2HB ALA 10 2HB ALA 10 -8.866 4.425 3.226 83 3HB ALA 10 3HB ALA 10 -9.480 3.047 2.314 84 H LYS 11 H LYS 11 -6.891 6.229 1.873 85 HA LYS 11 HA LYS 11 -8.584 8.629 1.582 86 1HB LYS 11 1HB LYS 11 -7.107 9.586 3.397 87 2HB LYS 11 2HB LYS 11 -8.154 8.259 3.880 88 1HG LYS 11 1HG LYS 11 -6.187 6.720 3.566 89 2HG LYS 11 2HG LYS 11 -5.189 8.156 3.361 90 1HD LYS 11 1HD LYS 11 -6.853 7.513 5.801 91 2HD LYS 11 2HD LYS 11 -5.113 7.277 5.665 92 1HE LYS 11 1HE LYS 11 -4.805 9.684 5.354 93 2HE LYS 11 2HE LYS 11 -6.548 9.926 5.455 94 1HZ LYS 11 1HZ LYS 11 -6.529 9.181 7.715 95 2HZ LYS 11 2HZ LYS 11 -5.363 10.394 7.547 96 3HZ LYS 11 3HZ LYS 11 -4.890 8.774 7.633 97 H PHE 12 H PHE 12 -5.540 7.240 0.672 98 HA PHE 12 HA PHE 12 -4.837 9.737 -0.728 99 1HB PHE 12 1HB PHE 12 -3.052 7.909 0.858 100 2HB PHE 12 2HB PHE 12 -2.392 8.889 -0.441 101 HD1 PHE 12 HD2 PHE 12 -2.488 11.364 -0.289 102 HD2 PHE 12 HD1 PHE 12 -3.629 8.864 2.963 103 HE1 PHE 12 HE2 PHE 12 -2.294 13.276 1.248 104 HE2 PHE 12 HE1 PHE 12 -3.437 10.771 4.503 105 HZ PHE 12 HZ PHE 12 -2.766 12.978 3.647 106 H GLY 13 H GLY 13 -5.777 6.621 -1.125 107 1HA GLY 13 1HA GLY 13 -4.146 6.158 -3.526 108 2HA GLY 13 2HA GLY 13 -5.200 4.983 -2.746 109 H GLN 14 H GLN 14 -4.911 6.725 -5.457 110 HA GLN 14 HA GLN 14 -7.616 7.661 -5.761 111 1HB GLN 14 1HB GLN 14 -5.469 7.274 -7.866 112 2HB GLN 14 2HB GLN 14 -6.962 8.183 -8.065 113 1HG GLN 14 1HG GLN 14 -4.686 8.859 -6.207 114 2HG GLN 14 2HG GLN 14 -5.099 9.685 -7.709 115 1HE2 GLN 14 1HE2 GLN 14 -6.916 11.023 -7.766 116 2HE2 GLN 14 2HE2 GLN 14 -7.663 11.611 -6.322 117 H LEU 15 H LEU 15 -7.938 5.202 -4.959 118 HA LEU 15 HA LEU 15 -8.303 3.368 -7.173 119 1HB LEU 15 1HB LEU 15 -7.512 2.618 -4.922 120 2HB LEU 15 2HB LEU 15 -9.055 3.099 -4.249 121 HG LEU 15 HG LEU 15 -10.174 1.400 -5.689 122 1HD1 LEU 15 1HD1 LEU 15 -8.504 1.292 -7.467 123 2HD1 LEU 15 2HD1 LEU 15 -8.831 -0.302 -6.793 124 3HD1 LEU 15 3HD1 LEU 15 -7.356 0.557 -6.350 125 1HD2 LEU 15 1HD2 LEU 15 -8.004 0.333 -3.879 126 2HD2 LEU 15 2HD2 LEU 15 -9.438 -0.552 -4.404 127 3HD2 LEU 15 3HD2 LEU 15 -9.608 0.872 -3.376 128 HA PRO 16 HA PRO 16 -12.437 5.067 -7.717 129 1HB PRO 16 1HB PRO 16 -13.093 3.740 -9.950 130 2HB PRO 16 2HB PRO 16 -11.845 4.994 -9.970 131 1HG PRO 16 1HG PRO 16 -11.538 2.011 -9.885 132 2HG PRO 16 2HG PRO 16 -10.645 3.198 -10.855 133 1HD PRO 16 1HD PRO 16 -9.717 2.112 -8.498 134 2HD PRO 16 2HD PRO 16 -9.202 3.688 -9.137 135 H THR 17 H THR 17 -11.831 2.557 -6.063 136 HA THR 17 HA THR 17 -14.518 1.496 -5.986 137 HB THR 17 HB THR 17 -12.067 -0.049 -6.776 138 HG1 THR 17 HG1 THR 17 -14.018 0.779 -8.129 139 1HG2 THR 17 1HG2 THR 17 -14.510 -1.265 -5.500 140 2HG2 THR 17 2HG2 THR 17 -12.892 -1.202 -4.803 141 3HG2 THR 17 3HG2 THR 17 -13.188 -2.153 -6.258 142 HA PRO 18 HA PRO 18 -13.614 1.885 -1.677 143 1HB PRO 18 1HB PRO 18 -15.325 -0.038 -0.669 144 2HB PRO 18 2HB PRO 18 -15.821 1.585 -1.158 145 1HG PRO 18 1HG PRO 18 -16.014 -0.992 -2.668 146 2HG PRO 18 2HG PRO 18 -17.188 0.334 -2.555 147 1HD PRO 18 1HD PRO 18 -15.608 0.015 -4.713 148 2HD PRO 18 2HD PRO 18 -16.061 1.626 -4.127 149 H VAL 19 H VAL 19 -11.892 1.180 -0.621 150 HA VAL 19 HA VAL 19 -10.484 -1.172 -1.226 151 HB VAL 19 HB VAL 19 -10.301 0.476 1.316 152 1HG1 VAL 19 1HG1 VAL 19 -7.988 -0.360 1.442 153 2HG1 VAL 19 2HG1 VAL 19 -8.285 -1.380 0.033 154 3HG1 VAL 19 3HG1 VAL 19 -9.165 -1.672 1.534 155 1HG2 VAL 19 1HG2 VAL 19 -10.039 1.884 -0.658 156 2HG2 VAL 19 2HG2 VAL 19 -8.812 0.789 -1.297 157 3HG2 VAL 19 3HG2 VAL 19 -8.498 1.701 0.180 158 H ASP 20 H ASP 20 -13.129 -0.564 0.875 159 HA ASP 20 HA ASP 20 -12.960 -2.630 2.725 160 1HB ASP 20 1HB ASP 20 -14.645 -0.927 2.953 161 2HB ASP 20 2HB ASP 20 -15.372 -1.361 1.409 162 H THR 21 H THR 21 -13.865 -2.754 -0.674 163 HA THR 21 HA THR 21 -15.125 -5.341 -0.438 164 HB THR 21 HB THR 21 -15.771 -3.557 -2.152 165 HG1 THR 21 HG1 THR 21 -16.004 -6.115 -2.183 166 1HG2 THR 21 1HG2 THR 21 -13.383 -4.708 -3.614 167 2HG2 THR 21 2HG2 THR 21 -13.511 -3.062 -2.997 168 3HG2 THR 21 3HG2 THR 21 -14.578 -3.603 -4.291 169 H ILE 22 H ILE 22 -11.939 -4.158 -1.030 170 HA ILE 22 HA ILE 22 -11.031 -6.804 -1.937 171 HB ILE 22 HB ILE 22 -8.858 -5.700 -2.422 172 1HG1 ILE 22 1HG1 ILE 22 -10.328 -3.156 -1.667 173 2HG1 ILE 22 2HG1 ILE 22 -8.981 -3.868 -0.789 174 1HG2 ILE 22 1HG2 ILE 22 -9.595 -4.461 -4.407 175 2HG2 ILE 22 2HG2 ILE 22 -11.232 -4.386 -3.752 176 3HG2 ILE 22 3HG2 ILE 22 -10.528 -5.942 -4.189 177 1HD1 ILE 22 1HD1 ILE 22 -7.533 -3.480 -2.736 178 2HD1 ILE 22 2HD1 ILE 22 -8.235 -1.991 -2.103 179 3HD1 ILE 22 3HD1 ILE 22 -8.890 -2.718 -3.568 180 H ALA 23 H ALA 23 -8.514 -6.941 -0.996 181 HA ALA 23 HA ALA 23 -8.458 -6.454 1.849 182 1HB ALA 23 1HB ALA 23 -9.877 -8.451 1.723 183 2HB ALA 23 2HB ALA 23 -8.332 -8.809 2.496 184 3HB ALA 23 3HB ALA 23 -8.616 -9.294 0.823 185 H ASP 24 H ASP 24 -6.452 -7.521 2.812 186 HA ASP 24 HA ASP 24 -4.203 -6.637 1.346 187 1HB ASP 24 1HB ASP 24 -2.883 -7.456 3.232 188 2HB ASP 24 2HB ASP 24 -4.308 -6.603 3.814 189 H GLU 25 H GLU 25 -5.769 -9.709 1.671 190 HA GLU 25 HA GLU 25 -3.592 -11.109 0.298 191 1HB GLU 25 1HB GLU 25 -6.171 -12.177 1.475 192 2HB GLU 25 2HB GLU 25 -4.877 -13.151 0.792 193 1HG GLU 25 1HG GLU 25 -3.363 -12.345 2.560 194 2HG GLU 25 2HG GLU 25 -4.693 -11.417 3.252 195 H ALA 26 H ALA 26 -5.885 -9.174 -0.766 196 HA ALA 26 HA ALA 26 -6.857 -10.965 -2.905 197 1HB ALA 26 1HB ALA 26 -8.635 -10.058 -1.474 198 2HB ALA 26 2HB ALA 26 -8.775 -9.485 -3.137 199 3HB ALA 26 3HB ALA 26 -8.128 -8.421 -1.889 200 H ASP 27 H ASP 27 -7.294 -9.863 -4.995 201 HA ASP 27 HA ASP 27 -4.904 -8.590 -5.903 202 1HB ASP 27 1HB ASP 27 -7.526 -9.108 -7.334 203 2HB ASP 27 2HB ASP 27 -6.056 -8.534 -8.114 204 H LEU 28 H LEU 28 -4.687 -6.607 -4.944 205 HA LEU 28 HA LEU 28 -6.615 -4.616 -4.632 206 1HB LEU 28 1HB LEU 28 -3.686 -4.148 -5.218 207 2HB LEU 28 2HB LEU 28 -4.776 -3.067 -4.372 208 HG LEU 28 HG LEU 28 -3.826 -5.754 -3.360 209 1HD1 LEU 28 1HD1 LEU 28 -3.092 -2.957 -2.493 210 2HD1 LEU 28 2HD1 LEU 28 -2.058 -4.073 -3.386 211 3HD1 LEU 28 3HD1 LEU 28 -2.551 -4.457 -1.740 212 1HD2 LEU 28 1HD2 LEU 28 -6.068 -5.246 -2.556 213 2HD2 LEU 28 2HD2 LEU 28 -5.534 -3.652 -2.022 214 3HD2 LEU 28 3HD2 LEU 28 -4.891 -5.103 -1.251 215 H TYR 29 H TYR 29 -4.281 -5.083 -7.254 216 HA TYR 29 HA TYR 29 -4.951 -2.817 -8.748 217 1HB TYR 29 1HB TYR 29 -3.838 -4.073 -10.665 218 2HB TYR 29 2HB TYR 29 -2.868 -3.824 -9.218 219 HD1 TYR 29 HD2 TYR 29 -2.320 -5.712 -7.743 220 HD2 TYR 29 HD1 TYR 29 -4.516 -6.309 -11.345 221 HE1 TYR 29 HE2 TYR 29 -1.852 -8.119 -7.620 222 HE2 TYR 29 HE1 TYR 29 -4.056 -8.723 -11.227 223 HH TYR 29 HH TYR 29 -3.063 -10.270 -8.529 224 H ALA 30 H ALA 30 -6.585 -5.839 -8.460 225 HA ALA 30 HA ALA 30 -7.979 -5.801 -10.937 226 1HB ALA 30 1HB ALA 30 -8.759 -7.110 -8.330 227 2HB ALA 30 2HB ALA 30 -7.764 -7.835 -9.592 228 3HB ALA 30 3HB ALA 30 -9.457 -7.457 -9.913 229 H ALA 31 H ALA 31 -8.532 -4.354 -7.791 230 HA ALA 31 HA ALA 31 -11.194 -3.454 -8.278 231 1HB ALA 31 1HB ALA 31 -10.860 -2.051 -6.300 232 2HB ALA 31 2HB ALA 31 -9.134 -2.407 -6.330 233 3HB ALA 31 3HB ALA 31 -10.293 -3.697 -6.012 234 H GLY 32 H GLY 32 -8.161 -2.480 -9.401 235 1HA GLY 32 1HA GLY 32 -8.258 -1.020 -11.377 236 2HA GLY 32 2HA GLY 32 -9.339 0.022 -10.462 237 H LEU 33 H LEU 33 -6.815 -1.245 -8.579 238 HA LEU 33 HA LEU 33 -5.714 1.261 -7.989 239 1HB LEU 33 1HB LEU 33 -5.549 -0.711 -6.504 240 2HB LEU 33 2HB LEU 33 -4.447 -1.467 -7.641 241 HG LEU 33 HG LEU 33 -2.813 0.355 -7.247 242 1HD1 LEU 33 1HD1 LEU 33 -4.352 2.136 -6.633 243 2HD1 LEU 33 2HD1 LEU 33 -3.145 1.897 -5.371 244 3HD1 LEU 33 3HD1 LEU 33 -4.782 1.277 -5.154 245 1HD2 LEU 33 1HD2 LEU 33 -3.736 -1.057 -4.741 246 2HD2 LEU 33 2HD2 LEU 33 -2.146 -0.334 -4.995 247 3HD2 LEU 33 3HD2 LEU 33 -2.652 -1.716 -5.967 248 H SER 34 H SER 34 -4.629 2.515 -9.346 249 HA SER 34 HA SER 34 -3.152 1.338 -11.578 250 1HB SER 34 1HB SER 34 -3.828 4.248 -11.049 251 2HB SER 34 2HB SER 34 -3.253 3.552 -12.567 252 HG SER 34 HG SER 34 -5.566 2.446 -11.466 253 H SER 35 H SER 35 -1.111 2.535 -12.200 254 HA SER 35 HA SER 35 0.871 2.198 -10.298 255 1HB SER 35 1HB SER 35 2.278 3.589 -11.900 256 2HB SER 35 2HB SER 35 1.451 2.207 -12.621 257 HG SER 35 HG SER 35 0.305 3.517 -13.806 258 H PHE 36 H PHE 36 -0.483 5.279 -11.472 259 HA PHE 36 HA PHE 36 0.911 6.962 -9.730 260 1HB PHE 36 1HB PHE 36 -1.845 7.409 -10.911 261 2HB PHE 36 2HB PHE 36 -0.777 8.656 -10.278 262 HD1 PHE 36 HD1 PHE 36 1.524 8.912 -11.422 263 HD2 PHE 36 HD2 PHE 36 -1.762 6.837 -13.170 264 HE1 PHE 36 HE1 PHE 36 2.541 9.178 -13.646 265 HE2 PHE 36 HE2 PHE 36 -0.748 7.101 -15.395 266 HZ PHE 36 HZ PHE 36 1.407 8.272 -15.634 267 H ALA 37 H ALA 37 -2.219 5.361 -9.353 268 HA ALA 37 HA ALA 37 -2.995 6.610 -6.953 269 1HB ALA 37 1HB ALA 37 -3.775 3.856 -7.925 270 2HB ALA 37 2HB ALA 37 -4.537 5.364 -8.428 271 3HB ALA 37 3HB ALA 37 -4.643 4.843 -6.745 272 H SER 38 H SER 38 -1.010 3.769 -7.586 273 HA SER 38 HA SER 38 -0.946 2.932 -4.842 274 1HB SER 38 1HB SER 38 0.870 1.366 -5.684 275 2HB SER 38 2HB SER 38 -0.706 1.200 -6.455 276 HG SER 38 HG SER 38 0.058 2.125 -8.264 277 H VAL 39 H VAL 39 1.474 4.424 -7.031 278 HA VAL 39 HA VAL 39 3.527 4.615 -5.143 279 HB VAL 39 HB VAL 39 4.536 6.353 -6.543 280 1HG1 VAL 39 1HG1 VAL 39 4.681 5.085 -8.642 281 2HG1 VAL 39 2HG1 VAL 39 3.276 4.132 -8.163 282 3HG1 VAL 39 3HG1 VAL 39 4.771 4.026 -7.234 283 1HG2 VAL 39 1HG2 VAL 39 2.542 7.660 -7.067 284 2HG2 VAL 39 2HG2 VAL 39 1.919 6.339 -8.059 285 3HG2 VAL 39 3HG2 VAL 39 3.383 7.194 -8.546 286 H GLN 40 H GLN 40 0.717 6.619 -5.634 287 HA GLN 40 HA GLN 40 1.552 8.884 -4.166 288 1HB GLN 40 1HB GLN 40 -0.365 8.881 -5.732 289 2HB GLN 40 2HB GLN 40 -1.256 7.841 -4.630 290 1HG GLN 40 1HG GLN 40 -1.257 9.598 -2.942 291 2HG GLN 40 2HG GLN 40 -0.312 10.638 -4.006 292 1HE2 GLN 40 1HE2 GLN 40 -2.957 11.057 -2.830 293 2HE2 GLN 40 2HE2 GLN 40 -4.034 11.328 -4.151 294 H LEU 41 H LEU 41 0.191 5.796 -3.198 295 HA LEU 41 HA LEU 41 -0.711 6.535 -0.629 296 1HB LEU 41 1HB LEU 41 -1.108 4.292 -0.249 297 2HB LEU 41 2HB LEU 41 -1.106 4.342 -1.998 298 HG LEU 41 HG LEU 41 1.464 3.680 -1.652 299 1HD1 LEU 41 1HD1 LEU 41 1.390 3.747 0.792 300 2HD1 LEU 41 2HD1 LEU 41 1.749 2.125 0.205 301 3HD1 LEU 41 3HD1 LEU 41 0.131 2.511 0.792 302 1HD2 LEU 41 1HD2 LEU 41 0.837 1.336 -1.945 303 2HD2 LEU 41 2HD2 LEU 41 -0.160 2.393 -2.942 304 3HD2 LEU 41 3HD2 LEU 41 -0.816 1.708 -1.455 305 H MET 42 H MET 42 2.436 5.847 -1.903 306 HA MET 42 HA MET 42 3.734 5.168 0.528 307 1HB MET 42 1HB MET 42 4.987 6.384 -1.945 308 2HB MET 42 2HB MET 42 5.807 5.463 -0.692 309 1HG MET 42 1HG MET 42 4.405 3.496 -1.331 310 2HG MET 42 2HG MET 42 3.798 4.443 -2.687 311 1HE MET 42 1HE MET 42 6.567 6.095 -3.344 312 2HE MET 42 2HE MET 42 5.468 5.479 -4.579 313 3HE MET 42 3HE MET 42 7.186 5.093 -4.656 314 H LEU 43 H LEU 43 3.216 8.188 -1.204 315 HA LEU 43 HA LEU 43 4.996 9.824 0.197 316 1HB LEU 43 1HB LEU 43 2.340 10.612 -1.018 317 2HB LEU 43 2HB LEU 43 3.656 11.703 -0.625 318 HG LEU 43 HG LEU 43 3.719 9.538 -2.736 319 1HD1 LEU 43 1HD1 LEU 43 2.336 11.446 -3.365 320 2HD1 LEU 43 2HD1 LEU 43 3.812 11.382 -4.327 321 3HD1 LEU 43 3HD1 LEU 43 3.670 12.542 -3.005 322 1HD2 LEU 43 1HD2 LEU 43 5.912 9.818 -1.707 323 2HD2 LEU 43 2HD2 LEU 43 5.830 11.561 -1.974 324 3HD2 LEU 43 3HD2 LEU 43 5.904 10.459 -3.351 325 H GLY 44 H GLY 44 1.588 9.064 0.835 326 1HA GLY 44 1HA GLY 44 1.463 10.722 3.187 327 2HA GLY 44 2HA GLY 44 0.246 9.568 2.655 328 H ILE 45 H ILE 45 2.076 7.330 2.511 329 HA ILE 45 HA ILE 45 1.843 6.427 5.186 330 HB ILE 45 HB ILE 45 2.705 5.275 2.618 331 1HG1 ILE 45 1HG1 ILE 45 0.483 4.902 3.558 332 2HG1 ILE 45 2HG1 ILE 45 1.347 3.376 3.412 333 1HG2 ILE 45 1HG2 ILE 45 4.744 4.782 3.806 334 2HG2 ILE 45 2HG2 ILE 45 3.804 3.301 3.621 335 3HG2 ILE 45 3HG2 ILE 45 3.833 4.140 5.172 336 1HD1 ILE 45 1HD1 ILE 45 1.041 4.958 5.957 337 2HD1 ILE 45 2HD1 ILE 45 1.804 3.376 5.786 338 3HD1 ILE 45 3HD1 ILE 45 0.074 3.558 5.495 339 H GLU 46 H GLU 46 4.428 7.935 3.402 340 HA GLU 46 HA GLU 46 6.617 7.329 5.023 341 1HB GLU 46 1HB GLU 46 6.787 8.582 2.898 342 2HB GLU 46 2HB GLU 46 5.998 9.963 3.652 343 1HG GLU 46 1HG GLU 46 7.904 10.016 5.302 344 2HG GLU 46 2HG GLU 46 8.709 8.815 4.295 345 H GLU 47 H GLU 47 4.421 10.132 5.246 346 HA GLU 47 HA GLU 47 5.483 11.014 7.734 347 1HB GLU 47 1HB GLU 47 3.528 12.547 7.789 348 2HB GLU 47 2HB GLU 47 4.425 12.625 6.279 349 1HG GLU 47 1HG GLU 47 2.740 11.259 5.180 350 2HG GLU 47 2HG GLU 47 1.855 11.110 6.697 351 H ALA 48 H ALA 48 3.000 8.782 6.804 352 HA ALA 48 HA ALA 48 1.334 8.783 9.001 353 1HB ALA 48 1HB ALA 48 0.695 6.527 8.370 354 2HB ALA 48 2HB ALA 48 2.142 6.375 7.373 355 3HB ALA 48 3HB ALA 48 0.890 7.537 6.937 356 H PHE 49 H PHE 49 4.296 6.734 8.594 357 HA PHE 49 HA PHE 49 4.284 6.549 11.537 358 1HB PHE 49 1HB PHE 49 5.047 4.226 11.456 359 2HB PHE 49 2HB PHE 49 3.472 4.425 10.706 360 HD1 PHE 49 HD2 PHE 49 7.037 3.752 10.087 361 HD2 PHE 49 HD1 PHE 49 3.141 3.969 8.376 362 HE1 PHE 49 HE2 PHE 49 7.854 2.581 8.087 363 HE2 PHE 49 HE1 PHE 49 3.955 2.788 6.379 364 HZ PHE 49 HZ PHE 49 6.313 2.097 6.231 365 H ASP 50 H ASP 50 6.329 6.650 8.626 366 HA ASP 50 HA ASP 50 8.409 7.965 9.959 367 1HB ASP 50 1HB ASP 50 8.604 5.648 11.035 368 2HB ASP 50 2HB ASP 50 9.163 5.076 9.467 369 H ILE 51 H ILE 51 8.407 5.311 7.527 370 HA ILE 51 HA ILE 51 9.354 7.258 5.537 371 HB ILE 51 HB ILE 51 11.036 5.804 4.644 372 1HG1 ILE 51 1HG1 ILE 51 9.968 3.621 5.085 373 2HG1 ILE 51 2HG1 ILE 51 11.651 3.643 5.585 374 1HG2 ILE 51 1HG2 ILE 51 11.749 7.259 6.447 375 2HG2 ILE 51 2HG2 ILE 51 12.674 5.756 6.450 376 3HG2 ILE 51 3HG2 ILE 51 11.384 6.001 7.628 377 1HD1 ILE 51 1HD1 ILE 51 9.225 3.768 7.359 378 2HD1 ILE 51 2HD1 ILE 51 10.880 3.993 7.927 379 3HD1 ILE 51 3HD1 ILE 51 10.393 2.456 7.213 380 H GLU 52 H GLU 52 9.409 6.239 3.310 381 HA GLU 52 HA GLU 52 6.999 4.600 2.903 382 1HB GLU 52 1HB GLU 52 7.383 5.585 0.445 383 2HB GLU 52 2HB GLU 52 6.462 6.439 1.669 384 1HG GLU 52 1HG GLU 52 7.984 7.911 0.454 385 2HG GLU 52 2HG GLU 52 8.348 7.854 2.175 386 H PHE 53 H PHE 53 7.111 3.301 0.811 387 HA PHE 53 HA PHE 53 9.059 1.322 1.102 388 1HB PHE 53 1HB PHE 53 7.391 1.897 -1.362 389 2HB PHE 53 2HB PHE 53 8.168 0.368 -0.961 390 HD1 PHE 53 HD2 PHE 53 7.528 -0.110 1.789 391 HD2 PHE 53 HD1 PHE 53 5.106 1.632 -1.252 392 HE1 PHE 53 HE2 PHE 53 5.507 -0.816 3.001 393 HE2 PHE 53 HE1 PHE 53 3.080 0.932 -0.038 394 HZ PHE 53 HZ PHE 53 3.279 -0.295 2.087 395 HA PRO 54 HA PRO 54 12.455 3.386 -0.888 396 1HB PRO 54 1HB PRO 54 14.225 1.331 -0.874 397 2HB PRO 54 2HB PRO 54 13.777 2.208 0.598 398 1HG PRO 54 1HG PRO 54 12.732 -0.416 -0.429 399 2HG PRO 54 2HG PRO 54 13.251 0.013 1.214 400 1HD PRO 54 1HD PRO 54 10.643 -0.028 0.494 401 2HD PRO 54 2HD PRO 54 11.276 1.129 1.684 402 H ASP 55 H ASP 55 13.449 3.506 -2.883 403 HA ASP 55 HA ASP 55 12.132 2.720 -5.153 404 1HB ASP 55 1HB ASP 55 13.801 4.460 -5.218 405 2HB ASP 55 2HB ASP 55 15.073 3.324 -4.782 406 H ASN 56 H ASN 56 14.490 0.937 -3.340 407 HA ASN 56 HA ASN 56 15.395 -0.937 -5.136 408 1HB ASN 56 1HB ASN 56 14.732 -1.391 -2.212 409 2HB ASN 56 2HB ASN 56 15.781 -2.411 -3.192 410 1HD2 ASN 56 1HD2 ASN 56 16.368 -0.924 -0.752 411 2HD2 ASN 56 2HD2 ASN 56 17.678 0.140 -1.139 412 H LEU 57 H LEU 57 12.327 -0.965 -3.328 413 HA LEU 57 HA LEU 57 11.674 -3.508 -4.674 414 1HB LEU 57 1HB LEU 57 10.170 -3.999 -2.806 415 2HB LEU 57 2HB LEU 57 11.829 -3.793 -2.290 416 HG LEU 57 HG LEU 57 11.090 -1.361 -1.682 417 1HD1 LEU 57 1HD1 LEU 57 8.738 -1.192 -0.988 418 2HD1 LEU 57 2HD1 LEU 57 8.413 -2.765 -1.716 419 3HD1 LEU 57 3HD1 LEU 57 8.893 -1.405 -2.730 420 1HD2 LEU 57 1HD2 LEU 57 11.788 -3.039 -0.055 421 2HD2 LEU 57 2HD2 LEU 57 10.170 -3.743 -0.067 422 3HD2 LEU 57 3HD2 LEU 57 10.417 -2.109 0.551 423 H LEU 58 H LEU 58 11.086 -0.406 -5.207 424 HA LEU 58 HA LEU 58 8.251 -0.283 -5.328 425 1HB LEU 58 1HB LEU 58 10.310 1.259 -6.916 426 2HB LEU 58 2HB LEU 58 8.590 1.607 -6.911 427 HG LEU 58 HG LEU 58 10.499 1.867 -4.586 428 1HD1 LEU 58 1HD1 LEU 58 8.884 3.920 -6.097 429 2HD1 LEU 58 2HD1 LEU 58 10.627 3.680 -6.207 430 3HD1 LEU 58 3HD1 LEU 58 9.909 4.234 -4.697 431 1HD2 LEU 58 1HD2 LEU 58 7.507 2.277 -4.637 432 2HD2 LEU 58 2HD2 LEU 58 8.581 2.683 -3.297 433 3HD2 LEU 58 3HD2 LEU 58 8.373 0.999 -3.780 434 H ASN 59 H ASN 59 6.838 -0.629 -7.035 435 HA ASN 59 HA ASN 59 5.934 -1.939 -8.648 436 1HB ASN 59 1HB ASN 59 8.550 -1.303 -10.040 437 2HB ASN 59 2HB ASN 59 7.180 -2.082 -10.823 438 1HD2 ASN 59 1HD2 ASN 59 5.207 -0.454 -9.376 439 2HD2 ASN 59 2HD2 ASN 59 5.281 1.115 -10.094 440 H ARG 60 H ARG 60 5.954 -3.750 -7.262 441 HA ARG 60 HA ARG 60 7.702 -5.926 -8.058 442 1HB ARG 60 1HB ARG 60 8.785 -4.428 -6.178 443 2HB ARG 60 2HB ARG 60 7.628 -5.230 -5.128 444 1HG ARG 60 1HG ARG 60 9.719 -6.368 -4.971 445 2HG ARG 60 2HG ARG 60 8.589 -7.414 -5.833 446 1HD ARG 60 1HD ARG 60 9.608 -6.968 -7.920 447 2HD ARG 60 2HD ARG 60 10.506 -5.593 -7.274 448 HE ARG 60 HE ARG 60 11.383 -7.739 -5.820 449 1HH1 ARG 60 1HH1 ARG 60 11.251 -6.987 -9.240 450 2HH1 ARG 60 2HH1 ARG 60 12.699 -7.861 -9.612 451 1HH2 ARG 60 1HH2 ARG 60 13.277 -8.881 -6.301 452 2HH2 ARG 60 2HH2 ARG 60 13.852 -8.954 -7.938 453 H LYS 61 H LYS 61 7.014 -7.969 -7.075 454 HA LYS 61 HA LYS 61 4.288 -8.441 -7.100 455 1HB LYS 61 1HB LYS 61 4.809 -10.607 -6.036 456 2HB LYS 61 2HB LYS 61 5.934 -10.227 -7.333 457 1HG LYS 61 1HG LYS 61 7.625 -9.563 -5.733 458 2HG LYS 61 2HG LYS 61 6.498 -9.802 -4.398 459 1HD LYS 61 1HD LYS 61 7.383 -11.998 -6.276 460 2HD LYS 61 2HD LYS 61 8.152 -11.659 -4.726 461 1HE LYS 61 1HE LYS 61 6.637 -13.437 -4.343 462 2HE LYS 61 2HE LYS 61 5.885 -12.002 -3.658 463 1HZ LYS 61 1HZ LYS 61 5.247 -13.092 -6.348 464 2HZ LYS 61 2HZ LYS 61 4.437 -11.852 -5.535 465 3HZ LYS 61 3HZ LYS 61 4.359 -13.430 -4.951 466 H SER 62 H SER 62 6.326 -7.410 -4.483 467 HA SER 62 HA SER 62 4.845 -8.003 -2.245 468 1HB SER 62 1HB SER 62 6.397 -5.443 -2.720 469 2HB SER 62 2HB SER 62 6.058 -6.204 -1.164 470 HG SER 62 HG SER 62 7.589 -7.639 -1.511 471 H PHE 63 H PHE 63 4.386 -5.327 -4.528 472 HA PHE 63 HA PHE 63 2.412 -3.968 -2.990 473 1HB PHE 63 1HB PHE 63 3.120 -3.859 -5.926 474 2HB PHE 63 2HB PHE 63 1.866 -2.851 -5.210 475 HD1 PHE 63 HD1 PHE 63 5.480 -3.517 -5.344 476 HD2 PHE 63 HD2 PHE 63 2.420 -0.989 -3.791 477 HE1 PHE 63 HE1 PHE 63 7.177 -1.866 -4.680 478 HE2 PHE 63 HE2 PHE 63 4.118 0.662 -3.126 479 HZ PHE 63 HZ PHE 63 6.500 0.223 -3.571 480 H ALA 64 H ALA 64 2.305 -6.705 -5.097 481 HA ALA 64 HA ALA 64 -0.570 -6.600 -5.469 482 1HB ALA 64 1HB ALA 64 -0.277 -8.689 -6.704 483 2HB ALA 64 2HB ALA 64 1.412 -8.761 -6.201 484 3HB ALA 64 3HB ALA 64 0.862 -7.465 -7.262 485 H SER 65 H SER 65 1.325 -7.325 -2.913 486 HA SER 65 HA SER 65 -0.729 -8.972 -1.676 487 1HB SER 65 1HB SER 65 2.176 -9.850 -1.799 488 2HB SER 65 2HB SER 65 0.904 -10.646 -0.870 489 HG SER 65 HG SER 65 0.040 -10.414 -3.365 490 H ILE 66 H ILE 66 -1.176 -7.316 -0.238 491 HA ILE 66 HA ILE 66 0.690 -5.614 0.945 492 HB ILE 66 HB ILE 66 -2.004 -6.449 2.039 493 1HG1 ILE 66 1HG1 ILE 66 -1.180 -4.063 0.358 494 2HG1 ILE 66 2HG1 ILE 66 -2.120 -5.442 -0.201 495 1HG2 ILE 66 1HG2 ILE 66 -0.278 -4.075 2.774 496 2HG2 ILE 66 2HG2 ILE 66 -0.624 -5.469 3.799 497 3HG2 ILE 66 3HG2 ILE 66 -1.922 -4.365 3.346 498 1HD1 ILE 66 1HD1 ILE 66 -2.975 -3.434 1.870 499 2HD1 ILE 66 2HD1 ILE 66 -3.920 -4.828 1.344 500 3HD1 ILE 66 3HD1 ILE 66 -3.546 -3.534 0.205 501 H LYS 67 H LYS 67 -0.717 -8.624 2.211 502 HA LYS 67 HA LYS 67 0.524 -8.663 4.690 503 1HB LYS 67 1HB LYS 67 0.173 -11.063 4.741 504 2HB LYS 67 2HB LYS 67 -1.228 -10.271 4.042 505 1HG LYS 67 1HG LYS 67 0.911 -11.447 2.290 506 2HG LYS 67 2HG LYS 67 -0.359 -12.454 2.982 507 1HD LYS 67 1HD LYS 67 -2.057 -11.022 1.919 508 2HD LYS 67 2HD LYS 67 -0.777 -10.043 1.206 509 1HE LYS 67 1HE LYS 67 -1.707 -11.686 -0.379 510 2HE LYS 67 2HE LYS 67 0.012 -11.930 -0.081 511 1HZ LYS 67 1HZ LYS 67 -0.471 -13.757 1.344 512 2HZ LYS 67 2HZ LYS 67 -1.318 -13.994 -0.099 513 3HZ LYS 67 3HZ LYS 67 -2.132 -13.461 1.278 514 H ALA 68 H ALA 68 1.886 -9.296 1.552 515 HA ALA 68 HA ALA 68 4.259 -10.582 2.582 516 1HB ALA 68 1HB ALA 68 5.032 -10.572 0.263 517 2HB ALA 68 2HB ALA 68 3.667 -9.552 -0.197 518 3HB ALA 68 3HB ALA 68 3.386 -11.195 0.378 519 H ILE 69 H ILE 69 3.415 -7.409 1.226 520 HA ILE 69 HA ILE 69 6.095 -6.428 1.322 521 HB ILE 69 HB ILE 69 4.371 -5.569 -0.268 522 1HG1 ILE 69 1HG1 ILE 69 5.594 -3.423 1.493 523 2HG1 ILE 69 2HG1 ILE 69 6.463 -4.313 0.248 524 1HG2 ILE 69 1HG2 ILE 69 3.265 -4.141 2.151 525 2HG2 ILE 69 2HG2 ILE 69 2.475 -5.445 1.266 526 3HG2 ILE 69 3HG2 ILE 69 2.759 -3.894 0.479 527 1HD1 ILE 69 1HD1 ILE 69 4.118 -2.479 -0.199 528 2HD1 ILE 69 2HD1 ILE 69 4.970 -3.382 -1.452 529 3HD1 ILE 69 3HD1 ILE 69 5.809 -2.123 -0.546 530 H GLU 70 H GLU 70 3.372 -6.352 3.532 531 HA GLU 70 HA GLU 70 4.304 -4.289 5.212 532 1HB GLU 70 1HB GLU 70 2.697 -5.065 6.839 533 2HB GLU 70 2HB GLU 70 1.978 -5.126 5.242 534 1HG GLU 70 1HG GLU 70 1.248 -7.107 6.116 535 2HG GLU 70 2HG GLU 70 2.724 -7.633 5.311 536 H ASP 71 H ASP 71 5.036 -7.702 5.020 537 HA ASP 71 HA ASP 71 6.458 -7.887 7.472 538 1HB ASP 71 1HB ASP 71 5.613 -9.855 6.186 539 2HB ASP 71 2HB ASP 71 6.835 -9.539 4.958 540 H THR 72 H THR 72 7.266 -6.896 4.233 541 HA THR 72 HA THR 72 10.097 -6.855 4.600 542 HB THR 72 HB THR 72 8.457 -5.439 2.483 543 HG1 THR 72 HG1 THR 72 9.178 -8.120 2.853 544 1HG2 THR 72 1HG2 THR 72 10.794 -4.692 2.591 545 2HG2 THR 72 2HG2 THR 72 10.498 -5.631 1.127 546 3HG2 THR 72 3HG2 THR 72 11.339 -6.367 2.492 547 H VAL 73 H VAL 73 7.504 -4.506 5.080 548 HA VAL 73 HA VAL 73 9.224 -2.239 5.075 549 HB VAL 73 HB VAL 73 6.757 -2.084 4.702 550 1HG1 VAL 73 1HG1 VAL 73 5.946 -3.529 6.454 551 2HG1 VAL 73 2HG1 VAL 73 5.279 -1.913 6.668 552 3HG1 VAL 73 3HG1 VAL 73 6.607 -2.462 7.690 553 1HG2 VAL 73 1HG2 VAL 73 8.091 -0.093 5.140 554 2HG2 VAL 73 2HG2 VAL 73 7.882 -0.314 6.878 555 3HG2 VAL 73 3HG2 VAL 73 6.490 0.063 5.863 556 H LYS 74 H LYS 74 8.307 -4.537 7.572 557 HA LYS 74 HA LYS 74 9.116 -3.019 9.804 558 1HB LYS 74 1HB LYS 74 8.688 -5.930 9.323 559 2HB LYS 74 2HB LYS 74 9.643 -5.480 10.726 560 1HG LYS 74 1HG LYS 74 7.563 -5.551 11.665 561 2HG LYS 74 2HG LYS 74 7.630 -3.854 11.196 562 1HD LYS 74 1HD LYS 74 5.492 -4.683 10.553 563 2HD LYS 74 2HD LYS 74 6.437 -4.495 9.075 564 1HE LYS 74 1HE LYS 74 5.202 -6.596 9.047 565 2HE LYS 74 2HE LYS 74 6.938 -6.897 9.094 566 1HZ LYS 74 1HZ LYS 74 6.741 -7.286 11.492 567 2HZ LYS 74 2HZ LYS 74 5.796 -8.362 10.598 568 3HZ LYS 74 3HZ LYS 74 5.064 -7.062 11.397 569 H LEU 75 H LEU 75 10.979 -5.327 7.800 570 HA LEU 75 HA LEU 75 13.322 -5.189 9.326 571 1HB LEU 75 1HB LEU 75 14.515 -6.089 7.370 572 2HB LEU 75 2HB LEU 75 13.064 -6.980 7.767 573 HG LEU 75 HG LEU 75 11.953 -5.580 5.881 574 1HD1 LEU 75 1HD1 LEU 75 13.477 -4.923 4.076 575 2HD1 LEU 75 2HD1 LEU 75 14.857 -5.273 5.116 576 3HD1 LEU 75 3HD1 LEU 75 13.743 -3.973 5.536 577 1HD2 LEU 75 1HD2 LEU 75 12.313 -7.983 5.767 578 2HD2 LEU 75 2HD2 LEU 75 13.980 -7.727 5.250 579 3HD2 LEU 75 3HD2 LEU 75 12.646 -7.229 4.208 580 H ILE 76 H ILE 76 12.055 -3.016 6.915 581 HA ILE 76 HA ILE 76 14.311 -1.462 6.378 582 HB ILE 76 HB ILE 76 11.465 -0.476 6.736 583 1HG1 ILE 76 1HG1 ILE 76 12.935 -1.380 4.239 584 2HG1 ILE 76 2HG1 ILE 76 11.631 -2.248 5.042 585 1HG2 ILE 76 1HG2 ILE 76 13.800 0.806 5.305 586 2HG2 ILE 76 2HG2 ILE 76 13.080 1.353 6.818 587 3HG2 ILE 76 3HG2 ILE 76 12.145 1.415 5.327 588 1HD1 ILE 76 1HD1 ILE 76 10.100 -0.408 4.524 589 2HD1 ILE 76 2HD1 ILE 76 10.819 -1.108 3.075 590 3HD1 ILE 76 3HD1 ILE 76 11.409 0.435 3.693 591 H LEU 77 H LEU 77 11.961 -1.217 9.043 592 HA LEU 77 HA LEU 77 13.282 0.958 10.336 593 1HB LEU 77 1HB LEU 77 11.193 -1.012 11.271 594 2HB LEU 77 2HB LEU 77 11.851 0.219 12.331 595 HG LEU 77 HG LEU 77 9.722 0.960 11.473 596 1HD1 LEU 77 1HD1 LEU 77 11.966 2.469 10.134 597 2HD1 LEU 77 2HD1 LEU 77 11.430 2.671 11.802 598 3HD1 LEU 77 3HD1 LEU 77 10.351 3.093 10.472 599 1HD2 LEU 77 1HD2 LEU 77 9.304 1.308 9.094 600 2HD2 LEU 77 2HD2 LEU 77 9.633 -0.389 9.437 601 3HD2 LEU 77 3HD2 LEU 77 10.881 0.619 8.705 602 H ASP 78 H ASP 78 13.568 -2.494 10.436 603 HA ASP 78 HA ASP 78 14.873 -2.839 12.903 604 1HB ASP 78 1HB ASP 78 13.906 -4.694 11.591 605 2HB ASP 78 2HB ASP 78 15.152 -4.480 10.367 606 H GLY 79 H GLY 79 16.135 -2.233 9.660 607 1HA GLY 79 1HA GLY 79 18.750 -1.526 10.871 608 2HA GLY 79 2HA GLY 79 18.600 -2.288 9.290 609 H LYS 80 H LYS 80 16.769 0.325 10.790 610 HA LYS 80 HA LYS 80 16.579 1.795 8.386 611 1HB LYS 80 1HB LYS 80 15.130 1.627 10.662 612 2HB LYS 80 2HB LYS 80 16.001 3.117 10.983 613 1HG LYS 80 1HG LYS 80 14.799 2.940 8.311 614 2HG LYS 80 2HG LYS 80 13.652 2.933 9.647 615 1HD LYS 80 1HD LYS 80 15.816 5.008 9.250 616 2HD LYS 80 2HD LYS 80 14.128 5.212 8.775 617 1HE LYS 80 1HE LYS 80 13.418 4.975 11.088 618 2HE LYS 80 2HE LYS 80 15.080 4.669 11.591 619 1HZ LYS 80 1HZ LYS 80 14.035 7.190 10.431 620 2HZ LYS 80 2HZ LYS 80 15.652 6.907 10.833 621 3HZ LYS 80 3HZ LYS 80 14.473 6.935 12.043 622 H GLU 81 H GLU 81 18.335 2.363 11.428 623 HA GLU 81 HA GLU 81 19.559 4.782 10.594 624 1HB GLU 81 1HB GLU 81 20.147 2.821 12.805 625 2HB GLU 81 2HB GLU 81 21.204 4.194 12.510 626 1HG GLU 81 1HG GLU 81 19.535 4.571 14.301 627 2HG GLU 81 2HG GLU 81 19.452 5.744 12.991 628 H ALA 82 H ALA 82 20.704 1.431 10.673 629 HA ALA 82 HA ALA 82 23.193 2.157 9.369 630 1HB ALA 82 1HB ALA 82 23.215 0.428 11.099 631 2HB ALA 82 2HB ALA 82 23.755 -0.219 9.549 632 3HB ALA 82 3HB ALA 82 22.126 -0.567 10.131 633 H ALA 83 H ALA 83 22.039 3.064 7.502 634 HA ALA 83 HA ALA 83 21.669 1.034 5.428 635 1HB ALA 83 1HB ALA 83 19.410 1.505 6.265 636 2HB ALA 83 2HB ALA 83 19.614 2.086 4.612 637 3HB ALA 83 3HB ALA 83 19.652 3.225 5.958 Start of MODEL 4 1 HA MET 1 HA MET 1 2.202 0.942 9.571 2 1HB MET 1 1HB MET 1 3.372 -1.589 10.713 3 2HB MET 1 2HB MET 1 3.738 -1.083 9.070 4 1HG MET 1 1HG MET 1 4.788 0.895 9.799 5 2HG MET 1 2HG MET 1 4.154 0.715 11.430 6 1HE MET 1 1HE MET 1 7.474 -1.930 9.609 7 2HE MET 1 2HE MET 1 6.689 -0.597 8.763 8 3HE MET 1 3HE MET 1 5.786 -2.070 9.121 9 H ASN 2 H ASN 2 1.326 -2.538 10.004 10 HA ASN 2 HA ASN 2 0.738 -2.869 7.285 11 1HB ASN 2 1HB ASN 2 -0.492 -4.966 8.024 12 2HB ASN 2 2HB ASN 2 1.199 -4.841 8.479 13 1HD2 ASN 2 1HD2 ASN 2 1.044 -6.264 10.145 14 2HD2 ASN 2 2HD2 ASN 2 0.196 -5.921 11.616 15 H ALA 3 H ALA 3 -1.497 -2.297 9.990 16 HA ALA 3 HA ALA 3 -3.825 -2.207 8.347 17 1HB ALA 3 1HB ALA 3 -4.942 -1.265 10.315 18 2HB ALA 3 2HB ALA 3 -3.380 -1.045 11.104 19 3HB ALA 3 3HB ALA 3 -3.967 -2.670 10.750 20 H THR 4 H THR 4 -1.578 0.157 9.619 21 HA THR 4 HA THR 4 -2.715 2.560 8.892 22 HB THR 4 HB THR 4 0.223 1.919 8.544 23 HG1 THR 4 HG1 THR 4 -0.945 2.664 11.018 24 1HG2 THR 4 1HG2 THR 4 -1.199 4.415 9.491 25 2HG2 THR 4 2HG2 THR 4 -0.445 4.182 7.911 26 3HG2 THR 4 3HG2 THR 4 0.549 4.204 9.369 27 H ILE 5 H ILE 5 -0.693 0.407 6.965 28 HA ILE 5 HA ILE 5 -0.523 2.016 4.661 29 HB ILE 5 HB ILE 5 -0.119 -0.967 4.990 30 1HG1 ILE 5 1HG1 ILE 5 2.023 1.148 4.723 31 2HG1 ILE 5 2HG1 ILE 5 1.326 0.757 6.290 32 1HG2 ILE 5 1HG2 ILE 5 -0.545 -0.433 2.645 33 2HG2 ILE 5 2HG2 ILE 5 1.151 -0.853 2.877 34 3HG2 ILE 5 3HG2 ILE 5 0.680 0.838 2.692 35 1HD1 ILE 5 1HD1 ILE 5 2.049 -1.576 6.002 36 2HD1 ILE 5 2HD1 ILE 5 3.389 -0.430 5.987 37 3HD1 ILE 5 3HD1 ILE 5 2.810 -1.130 4.471 38 H ARG 6 H ARG 6 -2.467 -0.956 5.240 39 HA ARG 6 HA ARG 6 -3.813 -0.783 2.768 40 1HB ARG 6 1HB ARG 6 -5.415 -2.419 3.699 41 2HB ARG 6 2HB ARG 6 -3.743 -2.887 3.943 42 1HG ARG 6 1HG ARG 6 -4.755 -3.443 5.950 43 2HG ARG 6 2HG ARG 6 -4.012 -1.882 6.298 44 1HD ARG 6 1HD ARG 6 -6.161 -0.770 6.006 45 2HD ARG 6 2HD ARG 6 -6.916 -2.300 5.557 46 HE ARG 6 HE ARG 6 -6.065 -2.955 7.943 47 1HH1 ARG 6 1HH1 ARG 6 -7.466 0.095 6.961 48 2HH1 ARG 6 2HH1 ARG 6 -8.153 0.427 8.517 49 1HH2 ARG 6 1HH2 ARG 6 -6.988 -2.524 9.989 50 2HH2 ARG 6 2HH2 ARG 6 -7.891 -1.062 10.237 51 H GLU 7 H GLU 7 -4.292 0.859 5.756 52 HA GLU 7 HA GLU 7 -6.994 1.674 5.314 53 1HB GLU 7 1HB GLU 7 -6.035 1.674 7.564 54 2HB GLU 7 2HB GLU 7 -4.826 2.854 7.074 55 1HG GLU 7 1HG GLU 7 -6.651 4.473 6.627 56 2HG GLU 7 2HG GLU 7 -7.805 3.298 7.257 57 H ILE 8 H ILE 8 -3.813 3.022 4.513 58 HA ILE 8 HA ILE 8 -4.689 5.640 4.013 59 HB ILE 8 HB ILE 8 -2.251 4.818 4.250 60 1HG1 ILE 8 1HG1 ILE 8 -3.124 6.886 2.225 61 2HG1 ILE 8 2HG1 ILE 8 -2.846 7.138 3.941 62 1HG2 ILE 8 1HG2 ILE 8 -1.053 4.438 2.163 63 2HG2 ILE 8 2HG2 ILE 8 -2.563 4.533 1.257 64 3HG2 ILE 8 3HG2 ILE 8 -2.296 3.208 2.388 65 1HD1 ILE 8 1HD1 ILE 8 -0.762 6.449 1.892 66 2HD1 ILE 8 2HD1 ILE 8 -0.475 6.686 3.617 67 3HD1 ILE 8 3HD1 ILE 8 -1.037 8.029 2.620 68 H LEU 9 H LEU 9 -4.727 2.782 2.018 69 HA LEU 9 HA LEU 9 -5.068 3.874 -0.515 70 1HB LEU 9 1HB LEU 9 -6.041 1.337 0.762 71 2HB LEU 9 2HB LEU 9 -6.544 1.741 -0.867 72 HG LEU 9 HG LEU 9 -4.635 0.201 -0.866 73 1HD1 LEU 9 1HD1 LEU 9 -3.912 2.950 -1.882 74 2HD1 LEU 9 2HD1 LEU 9 -4.906 1.761 -2.725 75 3HD1 LEU 9 3HD1 LEU 9 -3.204 1.424 -2.411 76 1HD2 LEU 9 1HD2 LEU 9 -2.436 0.914 -0.095 77 2HD2 LEU 9 2HD2 LEU 9 -3.590 0.915 1.238 78 3HD2 LEU 9 3HD2 LEU 9 -3.114 2.438 0.484 79 H ALA 10 H ALA 10 -7.284 3.769 2.156 80 HA ALA 10 HA ALA 10 -9.670 4.246 0.658 81 1HB ALA 10 1HB ALA 10 -9.105 4.718 3.589 82 2HB ALA 10 2HB ALA 10 -9.711 3.219 2.883 83 3HB ALA 10 3HB ALA 10 -10.698 4.680 2.832 84 H LYS 11 H LYS 11 -7.155 6.259 1.961 85 HA LYS 11 HA LYS 11 -8.775 8.677 1.518 86 1HB LYS 11 1HB LYS 11 -7.014 9.740 3.071 87 2HB LYS 11 2HB LYS 11 -8.205 8.660 3.782 88 1HG LYS 11 1HG LYS 11 -6.423 6.824 3.492 89 2HG LYS 11 2HG LYS 11 -5.293 8.153 3.255 90 1HD LYS 11 1HD LYS 11 -7.051 7.753 5.681 91 2HD LYS 11 2HD LYS 11 -5.339 7.345 5.585 92 1HE LYS 11 1HE LYS 11 -4.784 9.695 5.221 93 2HE LYS 11 2HE LYS 11 -6.497 10.116 5.266 94 1HZ LYS 11 1HZ LYS 11 -5.419 10.541 7.385 95 2HZ LYS 11 2HZ LYS 11 -4.958 8.918 7.505 96 3HZ LYS 11 3HZ LYS 11 -6.597 9.337 7.545 97 H PHE 12 H PHE 12 -5.257 7.901 1.471 98 HA PHE 12 HA PHE 12 -4.795 9.918 -0.544 99 1HB PHE 12 1HB PHE 12 -3.016 7.918 0.841 100 2HB PHE 12 2HB PHE 12 -2.428 8.869 -0.509 101 HD1 PHE 12 HD1 PHE 12 -3.894 9.153 2.897 102 HD2 PHE 12 HD2 PHE 12 -1.630 11.052 -0.173 103 HE1 PHE 12 HE1 PHE 12 -3.326 10.975 4.446 104 HE2 PHE 12 HE2 PHE 12 -1.063 12.878 1.374 105 HZ PHE 12 HZ PHE 12 -1.910 12.840 3.688 106 H GLY 13 H GLY 13 -5.181 6.456 -0.407 107 1HA GLY 13 1HA GLY 13 -4.087 5.737 -2.882 108 2HA GLY 13 2HA GLY 13 -5.345 4.855 -2.033 109 H GLN 14 H GLN 14 -4.616 6.525 -4.796 110 HA GLN 14 HA GLN 14 -7.207 7.652 -5.361 111 1HB GLN 14 1HB GLN 14 -4.868 7.144 -7.224 112 2HB GLN 14 2HB GLN 14 -6.246 8.188 -7.548 113 1HG GLN 14 1HG GLN 14 -4.193 8.611 -5.378 114 2HG GLN 14 2HG GLN 14 -4.255 9.462 -6.922 115 1HE2 GLN 14 1HE2 GLN 14 -4.431 10.451 -4.144 116 2HE2 GLN 14 2HE2 GLN 14 -5.902 11.354 -4.076 117 H LEU 15 H LEU 15 -7.521 5.028 -4.653 118 HA LEU 15 HA LEU 15 -7.703 3.299 -6.940 119 1HB LEU 15 1HB LEU 15 -7.242 2.583 -4.545 120 2HB LEU 15 2HB LEU 15 -8.919 2.945 -4.191 121 HG LEU 15 HG LEU 15 -9.603 1.211 -5.850 122 1HD1 LEU 15 1HD1 LEU 15 -7.938 -0.385 -6.656 123 2HD1 LEU 15 2HD1 LEU 15 -6.652 0.587 -5.937 124 3HD1 LEU 15 3HD1 LEU 15 -7.618 1.240 -7.261 125 1HD2 LEU 15 1HD2 LEU 15 -9.475 0.681 -3.469 126 2HD2 LEU 15 2HD2 LEU 15 -7.777 0.240 -3.649 127 3HD2 LEU 15 3HD2 LEU 15 -9.027 -0.711 -4.455 128 HA PRO 16 HA PRO 16 -11.735 4.922 -8.049 129 1HB PRO 16 1HB PRO 16 -12.238 3.323 -10.154 130 2HB PRO 16 2HB PRO 16 -10.991 4.575 -10.222 131 1HG PRO 16 1HG PRO 16 -10.701 1.624 -9.809 132 2HG PRO 16 2HG PRO 16 -9.705 2.724 -10.780 133 1HD PRO 16 1HD PRO 16 -9.044 1.846 -8.245 134 2HD PRO 16 2HD PRO 16 -8.430 3.340 -8.982 135 H THR 17 H THR 17 -11.144 2.086 -6.514 136 HA THR 17 HA THR 17 -13.956 1.281 -6.438 137 HB THR 17 HB THR 17 -11.483 -0.400 -6.813 138 HG1 THR 17 HG1 THR 17 -13.942 -0.494 -8.228 139 1HG2 THR 17 1HG2 THR 17 -12.861 -2.399 -6.544 140 2HG2 THR 17 2HG2 THR 17 -14.225 -1.391 -6.058 141 3HG2 THR 17 3HG2 THR 17 -12.776 -1.459 -5.055 142 HA PRO 18 HA PRO 18 -13.484 1.833 -2.069 143 1HB PRO 18 1HB PRO 18 -15.232 -0.138 -1.182 144 2HB PRO 18 2HB PRO 18 -15.703 1.486 -1.693 145 1HG PRO 18 1HG PRO 18 -15.769 -1.081 -3.229 146 2HG PRO 18 2HG PRO 18 -16.941 0.250 -3.215 147 1HD PRO 18 1HD PRO 18 -15.200 -0.069 -5.234 148 2HD PRO 18 2HD PRO 18 -15.671 1.546 -4.672 149 H VAL 19 H VAL 19 -12.173 1.114 -0.506 150 HA VAL 19 HA VAL 19 -10.433 -1.080 -0.992 151 HB VAL 19 HB VAL 19 -10.820 0.525 1.555 152 1HG1 VAL 19 1HG1 VAL 19 -8.478 -1.166 0.659 153 2HG1 VAL 19 2HG1 VAL 19 -9.595 -1.544 1.970 154 3HG1 VAL 19 3HG1 VAL 19 -8.523 -0.151 2.101 155 1HG2 VAL 19 1HG2 VAL 19 -8.930 1.880 0.751 156 2HG2 VAL 19 2HG2 VAL 19 -10.314 1.971 -0.337 157 3HG2 VAL 19 3HG2 VAL 19 -8.926 0.969 -0.759 158 H ASP 20 H ASP 20 -13.488 -0.817 0.441 159 HA ASP 20 HA ASP 20 -13.468 -2.793 2.408 160 1HB ASP 20 1HB ASP 20 -15.315 -1.176 2.021 161 2HB ASP 20 2HB ASP 20 -15.752 -2.052 0.557 162 H THR 21 H THR 21 -13.478 -3.102 -1.076 163 HA THR 21 HA THR 21 -14.421 -5.864 -0.954 164 HB THR 21 HB THR 21 -15.281 -4.320 -2.723 165 HG1 THR 21 HG1 THR 21 -13.862 -6.463 -3.933 166 1HG2 THR 21 1HG2 THR 21 -13.869 -3.869 -4.678 167 2HG2 THR 21 2HG2 THR 21 -12.490 -4.596 -3.853 168 3HG2 THR 21 3HG2 THR 21 -13.210 -3.114 -3.227 169 H ILE 22 H ILE 22 -11.431 -4.296 -0.828 170 HA ILE 22 HA ILE 22 -10.041 -6.627 -1.982 171 HB ILE 22 HB ILE 22 -7.980 -5.215 -1.926 172 1HG1 ILE 22 1HG1 ILE 22 -9.927 -2.995 -1.226 173 2HG1 ILE 22 2HG1 ILE 22 -8.668 -3.630 -0.173 174 1HG2 ILE 22 1HG2 ILE 22 -8.562 -3.867 -3.887 175 2HG2 ILE 22 2HG2 ILE 22 -10.276 -4.083 -3.532 176 3HG2 ILE 22 3HG2 ILE 22 -9.286 -5.473 -3.976 177 1HD1 ILE 22 1HD1 ILE 22 -8.150 -2.263 -2.807 178 2HD1 ILE 22 2HD1 ILE 22 -6.956 -2.757 -1.605 179 3HD1 ILE 22 3HD1 ILE 22 -8.102 -1.473 -1.232 180 H ALA 23 H ALA 23 -7.890 -7.097 -0.800 181 HA ALA 23 HA ALA 23 -7.994 -6.787 2.073 182 1HB ALA 23 1HB ALA 23 -9.580 -8.625 1.725 183 2HB ALA 23 2HB ALA 23 -8.130 -9.184 2.560 184 3HB ALA 23 3HB ALA 23 -8.348 -9.528 0.843 185 H ASP 24 H ASP 24 -6.200 -8.342 3.033 186 HA ASP 24 HA ASP 24 -3.791 -7.324 1.978 187 1HB ASP 24 1HB ASP 24 -2.677 -8.605 3.745 188 2HB ASP 24 2HB ASP 24 -4.099 -7.779 4.373 189 H GLU 25 H GLU 25 -5.402 -10.406 1.570 190 HA GLU 25 HA GLU 25 -3.098 -11.453 0.068 191 1HB GLU 25 1HB GLU 25 -5.586 -12.855 1.075 192 2HB GLU 25 2HB GLU 25 -4.284 -13.631 0.183 193 1HG GLU 25 1HG GLU 25 -2.721 -13.088 1.984 194 2HG GLU 25 2HG GLU 25 -4.024 -12.310 2.878 195 H ALA 26 H ALA 26 -5.369 -9.468 -0.730 196 HA ALA 26 HA ALA 26 -6.209 -10.873 -3.189 197 1HB ALA 26 1HB ALA 26 -8.046 -9.268 -3.327 198 2HB ALA 26 2HB ALA 26 -7.468 -8.462 -1.870 199 3HB ALA 26 3HB ALA 26 -8.075 -10.115 -1.779 200 H ASP 27 H ASP 27 -5.571 -10.072 -5.128 201 HA ASP 27 HA ASP 27 -3.448 -8.196 -5.202 202 1HB ASP 27 1HB ASP 27 -3.601 -8.433 -7.671 203 2HB ASP 27 2HB ASP 27 -3.509 -9.974 -6.832 204 H LEU 28 H LEU 28 -3.733 -6.145 -4.784 205 HA LEU 28 HA LEU 28 -6.186 -4.807 -4.816 206 1HB LEU 28 1HB LEU 28 -3.475 -3.487 -4.919 207 2HB LEU 28 2HB LEU 28 -4.961 -2.814 -4.273 208 HG LEU 28 HG LEU 28 -3.245 -4.996 -3.088 209 1HD1 LEU 28 1HD1 LEU 28 -4.125 -2.299 -2.062 210 2HD1 LEU 28 2HD1 LEU 28 -2.515 -2.731 -2.639 211 3HD1 LEU 28 3HD1 LEU 28 -3.154 -3.471 -1.172 212 1HD2 LEU 28 1HD2 LEU 28 -4.923 -5.146 -1.278 213 2HD2 LEU 28 2HD2 LEU 28 -5.528 -5.732 -2.825 214 3HD2 LEU 28 3HD2 LEU 28 -6.012 -4.145 -2.235 215 H TYR 29 H TYR 29 -3.710 -5.073 -7.290 216 HA TYR 29 HA TYR 29 -4.505 -2.836 -8.807 217 1HB TYR 29 1HB TYR 29 -3.239 -3.850 -10.676 218 2HB TYR 29 2HB TYR 29 -2.327 -3.774 -9.179 219 HD1 TYR 29 HD1 TYR 29 -4.015 -6.023 -11.560 220 HD2 TYR 29 HD2 TYR 29 -1.580 -5.785 -8.072 221 HE1 TYR 29 HE1 TYR 29 -3.451 -8.402 -11.797 222 HE2 TYR 29 HE2 TYR 29 -1.012 -8.169 -8.303 223 HH TYR 29 HH TYR 29 -1.860 -10.179 -9.327 224 H ALA 30 H ALA 30 -5.890 -5.970 -8.470 225 HA ALA 30 HA ALA 30 -7.412 -6.095 -10.841 226 1HB ALA 30 1HB ALA 30 -8.869 -7.636 -9.596 227 2HB ALA 30 2HB ALA 30 -8.067 -7.172 -8.094 228 3HB ALA 30 3HB ALA 30 -7.163 -8.011 -9.353 229 H ALA 31 H ALA 31 -7.923 -4.479 -7.755 230 HA ALA 31 HA ALA 31 -10.586 -3.589 -8.332 231 1HB ALA 31 1HB ALA 31 -10.336 -2.204 -6.327 232 2HB ALA 31 2HB ALA 31 -8.615 -2.587 -6.270 233 3HB ALA 31 3HB ALA 31 -9.810 -3.860 -6.027 234 H GLY 32 H GLY 32 -7.494 -2.611 -9.305 235 1HA GLY 32 1HA GLY 32 -7.444 -1.114 -11.233 236 2HA GLY 32 2HA GLY 32 -8.630 -0.113 -10.410 237 H LEU 33 H LEU 33 -5.984 -1.473 -8.605 238 HA LEU 33 HA LEU 33 -4.989 1.055 -7.824 239 1HB LEU 33 1HB LEU 33 -4.707 -1.016 -6.484 240 2HB LEU 33 2HB LEU 33 -3.601 -1.635 -7.695 241 HG LEU 33 HG LEU 33 -2.067 0.278 -7.213 242 1HD1 LEU 33 1HD1 LEU 33 -3.685 1.871 -6.346 243 2HD1 LEU 33 2HD1 LEU 33 -2.413 1.581 -5.161 244 3HD1 LEU 33 3HD1 LEU 33 -3.997 0.830 -4.956 245 1HD2 LEU 33 1HD2 LEU 33 -2.762 -1.448 -4.834 246 2HD2 LEU 33 2HD2 LEU 33 -1.236 -0.602 -5.089 247 3HD2 LEU 33 3HD2 LEU 33 -1.712 -1.908 -6.173 248 H SER 34 H SER 34 -4.112 2.414 -9.267 249 HA SER 34 HA SER 34 -2.603 1.380 -11.547 250 1HB SER 34 1HB SER 34 -2.804 3.719 -12.387 251 2HB SER 34 2HB SER 34 -4.373 3.007 -12.007 252 HG SER 34 HG SER 34 -4.612 4.740 -10.833 253 H SER 35 H SER 35 -0.706 2.824 -12.227 254 HA SER 35 HA SER 35 1.388 2.754 -10.431 255 1HB SER 35 1HB SER 35 2.466 4.437 -12.008 256 2HB SER 35 2HB SER 35 1.821 2.989 -12.787 257 HG SER 35 HG SER 35 0.775 4.370 -13.982 258 H PHE 36 H PHE 36 -0.530 5.594 -11.379 259 HA PHE 36 HA PHE 36 0.575 7.423 -9.585 260 1HB PHE 36 1HB PHE 36 -2.248 7.334 -10.697 261 2HB PHE 36 2HB PHE 36 -1.512 8.731 -9.919 262 HD1 PHE 36 HD1 PHE 36 0.262 9.991 -11.036 263 HD2 PHE 36 HD2 PHE 36 -1.660 6.705 -12.953 264 HE1 PHE 36 HE1 PHE 36 1.170 10.724 -13.201 265 HE2 PHE 36 HE2 PHE 36 -0.752 7.435 -15.119 266 HZ PHE 36 HZ PHE 36 0.665 9.447 -15.244 267 H ALA 37 H ALA 37 -2.256 5.303 -9.216 268 HA ALA 37 HA ALA 37 -3.102 6.258 -6.718 269 1HB ALA 37 1HB ALA 37 -3.474 3.484 -7.857 270 2HB ALA 37 2HB ALA 37 -4.504 4.878 -8.185 271 3HB ALA 37 3HB ALA 37 -4.415 4.214 -6.553 272 H SER 38 H SER 38 -0.758 3.757 -7.564 273 HA SER 38 HA SER 38 -0.455 2.819 -4.875 274 1HB SER 38 1HB SER 38 1.543 1.594 -5.843 275 2HB SER 38 2HB SER 38 -0.001 1.248 -6.621 276 HG SER 38 HG SER 38 0.584 2.463 -8.349 277 H VAL 39 H VAL 39 1.483 4.892 -7.023 278 HA VAL 39 HA VAL 39 3.560 5.418 -5.195 279 HB VAL 39 HB VAL 39 2.528 7.138 -7.470 280 1HG1 VAL 39 1HG1 VAL 39 4.720 8.257 -7.396 281 2HG1 VAL 39 2HG1 VAL 39 5.136 7.338 -5.949 282 3HG1 VAL 39 3HG1 VAL 39 3.810 8.502 -5.905 283 1HG2 VAL 39 1HG2 VAL 39 4.838 5.186 -7.353 284 2HG2 VAL 39 2HG2 VAL 39 4.409 6.193 -8.736 285 3HG2 VAL 39 3HG2 VAL 39 3.306 4.931 -8.189 286 H GLN 40 H GLN 40 0.394 6.843 -5.642 287 HA GLN 40 HA GLN 40 0.825 9.186 -4.128 288 1HB GLN 40 1HB GLN 40 -1.045 8.827 -5.762 289 2HB GLN 40 2HB GLN 40 -1.801 7.753 -4.593 290 1HG GLN 40 1HG GLN 40 -2.839 9.921 -4.496 291 2HG GLN 40 2HG GLN 40 -1.957 9.624 -3.001 292 1HE2 GLN 40 1HE2 GLN 40 -1.819 11.815 -2.541 293 2HE2 GLN 40 2HE2 GLN 40 -0.753 12.871 -3.400 294 H LEU 41 H LEU 41 -0.204 5.931 -3.241 295 HA LEU 41 HA LEU 41 -0.994 6.630 -0.584 296 1HB LEU 41 1HB LEU 41 -1.416 4.374 -0.236 297 2HB LEU 41 2HB LEU 41 -1.649 4.539 -1.960 298 HG LEU 41 HG LEU 41 0.924 3.757 -1.980 299 1HD1 LEU 41 1HD1 LEU 41 1.128 3.610 0.447 300 2HD1 LEU 41 2HD1 LEU 41 1.304 2.022 -0.298 301 3HD1 LEU 41 3HD1 LEU 41 -0.209 2.459 0.498 302 1HD2 LEU 41 1HD2 LEU 41 -0.916 2.679 -3.180 303 2HD2 LEU 41 2HD2 LEU 41 -1.427 1.884 -1.691 304 3HD2 LEU 41 3HD2 LEU 41 0.134 1.489 -2.412 305 H MET 42 H MET 42 2.001 6.087 -2.146 306 HA MET 42 HA MET 42 3.545 5.196 0.064 307 1HB MET 42 1HB MET 42 4.470 6.711 -2.389 308 2HB MET 42 2HB MET 42 5.489 5.788 -1.295 309 1HG MET 42 1HG MET 42 4.332 3.733 -1.958 310 2HG MET 42 2HG MET 42 3.317 4.672 -3.056 311 1HE MET 42 1HE MET 42 7.063 3.705 -2.218 312 2HE MET 42 2HE MET 42 7.079 5.462 -2.393 313 3HE MET 42 3HE MET 42 7.894 4.450 -3.583 314 H LEU 43 H LEU 43 3.248 8.399 -1.479 315 HA LEU 43 HA LEU 43 4.987 9.729 0.258 316 1HB LEU 43 1HB LEU 43 3.960 11.813 -0.596 317 2HB LEU 43 2HB LEU 43 4.436 10.695 -1.855 318 HG LEU 43 HG LEU 43 1.906 9.971 -1.783 319 1HD1 LEU 43 1HD1 LEU 43 0.396 11.835 -1.280 320 2HD1 LEU 43 2HD1 LEU 43 1.758 12.763 -0.648 321 3HD1 LEU 43 3HD1 LEU 43 1.255 11.276 0.156 322 1HD2 LEU 43 1HD2 LEU 43 3.019 10.963 -3.710 323 2HD2 LEU 43 2HD2 LEU 43 2.805 12.573 -3.021 324 3HD2 LEU 43 3HD2 LEU 43 1.399 11.626 -3.508 325 H GLY 44 H GLY 44 1.575 9.007 0.569 326 1HA GLY 44 1HA GLY 44 1.184 10.683 2.880 327 2HA GLY 44 2HA GLY 44 0.072 9.466 2.268 328 H ILE 45 H ILE 45 1.970 7.309 2.290 329 HA ILE 45 HA ILE 45 1.657 6.500 5.009 330 HB ILE 45 HB ILE 45 2.484 5.222 2.490 331 1HG1 ILE 45 1HG1 ILE 45 0.264 4.899 3.419 332 2HG1 ILE 45 2HG1 ILE 45 1.120 3.363 3.415 333 1HG2 ILE 45 1HG2 ILE 45 4.525 4.757 3.707 334 2HG2 ILE 45 2HG2 ILE 45 3.569 3.282 3.549 335 3HG2 ILE 45 3HG2 ILE 45 3.598 4.156 5.082 336 1HD1 ILE 45 1HD1 ILE 45 -0.151 3.657 5.453 337 2HD1 ILE 45 2HD1 ILE 45 0.713 5.155 5.802 338 3HD1 ILE 45 3HD1 ILE 45 1.577 3.617 5.801 339 H GLU 46 H GLU 46 4.247 7.865 3.142 340 HA GLU 46 HA GLU 46 6.456 7.279 4.729 341 1HB GLU 46 1HB GLU 46 6.575 8.462 2.556 342 2HB GLU 46 2HB GLU 46 5.848 9.882 3.296 343 1HG GLU 46 1HG GLU 46 7.802 10.023 4.827 344 2HG GLU 46 2HG GLU 46 8.537 8.684 3.950 345 H GLU 47 H GLU 47 4.309 10.112 4.929 346 HA GLU 47 HA GLU 47 5.399 11.056 7.374 347 1HB GLU 47 1HB GLU 47 3.415 12.553 7.433 348 2HB GLU 47 2HB GLU 47 4.269 12.604 5.898 349 1HG GLU 47 1HG GLU 47 2.594 11.216 4.863 350 2HG GLU 47 2HG GLU 47 1.773 10.995 6.406 351 H ALA 48 H ALA 48 2.938 8.745 6.569 352 HA ALA 48 HA ALA 48 1.304 8.876 8.810 353 1HB ALA 48 1HB ALA 48 0.551 6.643 8.230 354 2HB ALA 48 2HB ALA 48 1.955 6.421 7.185 355 3HB ALA 48 3HB ALA 48 0.736 7.631 6.780 356 H PHE 49 H PHE 49 4.159 6.706 8.341 357 HA PHE 49 HA PHE 49 4.199 6.501 11.279 358 1HB PHE 49 1HB PHE 49 4.823 4.155 11.198 359 2HB PHE 49 2HB PHE 49 3.276 4.417 10.412 360 HD1 PHE 49 HD2 PHE 49 6.836 3.627 9.859 361 HD2 PHE 49 HD1 PHE 49 2.965 3.907 8.097 362 HE1 PHE 49 HE2 PHE 49 7.645 2.394 7.892 363 HE2 PHE 49 HE1 PHE 49 3.773 2.663 6.135 364 HZ PHE 49 HZ PHE 49 6.115 1.909 6.028 365 H ASP 50 H ASP 50 6.165 6.598 8.330 366 HA ASP 50 HA ASP 50 8.365 7.702 9.678 367 1HB ASP 50 1HB ASP 50 8.450 5.364 10.631 368 2HB ASP 50 2HB ASP 50 8.815 4.783 9.010 369 H ILE 51 H ILE 51 8.253 5.179 7.134 370 HA ILE 51 HA ILE 51 9.114 7.190 5.171 371 HB ILE 51 HB ILE 51 10.810 5.802 4.210 372 1HG1 ILE 51 1HG1 ILE 51 9.806 3.583 4.611 373 2HG1 ILE 51 2HG1 ILE 51 11.495 3.626 5.087 374 1HG2 ILE 51 1HG2 ILE 51 12.482 5.713 6.009 375 2HG2 ILE 51 2HG2 ILE 51 11.201 5.970 7.191 376 3HG2 ILE 51 3HG2 ILE 51 11.565 7.219 6.003 377 1HD1 ILE 51 1HD1 ILE 51 9.091 3.643 6.894 378 2HD1 ILE 51 2HD1 ILE 51 10.745 3.892 7.451 379 3HD1 ILE 51 3HD1 ILE 51 10.289 2.364 6.698 380 H GLU 52 H GLU 52 9.127 6.164 2.910 381 HA GLU 52 HA GLU 52 6.710 4.522 2.612 382 1HB GLU 52 1HB GLU 52 7.010 5.379 0.123 383 2HB GLU 52 2HB GLU 52 6.215 6.360 1.341 384 1HG GLU 52 1HG GLU 52 7.726 7.690 -0.004 385 2HG GLU 52 2HG GLU 52 8.257 7.642 1.673 386 H PHE 53 H PHE 53 6.780 3.148 0.559 387 HA PHE 53 HA PHE 53 8.685 1.138 1.065 388 1HB PHE 53 1HB PHE 53 6.831 1.418 -1.313 389 2HB PHE 53 2HB PHE 53 7.600 -0.068 -0.756 390 HD1 PHE 53 HD1 PHE 53 7.127 -0.639 1.794 391 HD2 PHE 53 HD2 PHE 53 4.647 1.812 -0.654 392 HE1 PHE 53 HE1 PHE 53 5.227 -1.063 3.297 393 HE2 PHE 53 HE2 PHE 53 2.744 1.390 0.846 394 HZ PHE 53 HZ PHE 53 3.034 -0.048 2.825 395 HA PRO 54 HA PRO 54 12.011 2.782 -1.383 396 1HB PRO 54 1HB PRO 54 13.699 0.661 -1.212 397 2HB PRO 54 2HB PRO 54 13.399 1.754 0.146 398 1HG PRO 54 1HG PRO 54 12.172 -0.925 -0.427 399 2HG PRO 54 2HG PRO 54 12.830 -0.306 1.101 400 1HD PRO 54 1HD PRO 54 10.180 -0.312 0.590 401 2HD PRO 54 2HD PRO 54 10.945 0.982 1.535 402 H ASP 55 H ASP 55 13.085 2.463 -3.349 403 HA ASP 55 HA ASP 55 11.517 1.599 -5.466 404 1HB ASP 55 1HB ASP 55 13.483 1.969 -6.867 405 2HB ASP 55 2HB ASP 55 13.363 3.240 -5.653 406 H ASN 56 H ASN 56 14.017 -0.101 -3.689 407 HA ASN 56 HA ASN 56 14.560 -2.216 -5.382 408 1HB ASN 56 1HB ASN 56 14.486 -2.128 -2.361 409 2HB ASN 56 2HB ASN 56 15.076 -3.519 -3.263 410 1HD2 ASN 56 1HD2 ASN 56 15.716 -0.257 -2.283 411 2HD2 ASN 56 2HD2 ASN 56 17.352 -0.198 -2.826 412 H LEU 57 H LEU 57 11.795 -1.820 -3.206 413 HA LEU 57 HA LEU 57 10.783 -4.429 -4.148 414 1HB LEU 57 1HB LEU 57 9.523 -4.621 -2.085 415 2HB LEU 57 2HB LEU 57 11.225 -4.398 -1.744 416 HG LEU 57 HG LEU 57 10.553 -1.872 -1.438 417 1HD1 LEU 57 1HD1 LEU 57 8.258 -2.050 -2.206 418 2HD1 LEU 57 2HD1 LEU 57 8.299 -1.588 -0.506 419 3HD1 LEU 57 3HD1 LEU 57 7.907 -3.248 -0.959 420 1HD2 LEU 57 1HD2 LEU 57 11.450 -3.321 0.317 421 2HD2 LEU 57 2HD2 LEU 57 9.834 -3.962 0.618 422 3HD2 LEU 57 3HD2 LEU 57 10.182 -2.263 0.936 423 H LEU 58 H LEU 58 10.443 -1.266 -4.753 424 HA LEU 58 HA LEU 58 7.631 -0.870 -4.605 425 1HB LEU 58 1HB LEU 58 9.619 0.837 -4.873 426 2HB LEU 58 2HB LEU 58 9.377 0.569 -6.584 427 HG LEU 58 HG LEU 58 7.301 1.655 -4.663 428 1HD1 LEU 58 1HD1 LEU 58 7.612 3.767 -5.854 429 2HD1 LEU 58 2HD1 LEU 58 8.897 3.040 -6.818 430 3HD1 LEU 58 3HD1 LEU 58 9.105 3.238 -5.077 431 1HD2 LEU 58 1HD2 LEU 58 5.972 2.135 -6.670 432 2HD2 LEU 58 2HD2 LEU 58 6.241 0.405 -6.466 433 3HD2 LEU 58 3HD2 LEU 58 7.173 1.306 -7.663 434 H ASN 59 H ASN 59 6.912 -2.886 -5.498 435 HA ASN 59 HA ASN 59 6.700 -2.830 -8.429 436 1HB ASN 59 1HB ASN 59 7.368 -5.281 -6.767 437 2HB ASN 59 2HB ASN 59 6.921 -5.324 -8.466 438 1HD2 ASN 59 1HD2 ASN 59 8.412 -2.910 -9.150 439 2HD2 ASN 59 2HD2 ASN 59 10.084 -3.350 -9.108 440 H ARG 60 H ARG 60 4.790 -3.815 -9.235 441 HA ARG 60 HA ARG 60 2.459 -3.290 -7.814 442 1HB ARG 60 1HB ARG 60 2.803 -5.286 -10.072 443 2HB ARG 60 2HB ARG 60 1.290 -4.538 -9.574 444 1HG ARG 60 1HG ARG 60 2.049 -2.377 -10.303 445 2HG ARG 60 2HG ARG 60 3.666 -3.007 -10.627 446 1HD ARG 60 1HD ARG 60 2.495 -2.794 -12.712 447 2HD ARG 60 2HD ARG 60 2.682 -4.509 -12.348 448 HE ARG 60 HE ARG 60 0.170 -2.984 -11.993 449 1HH1 ARG 60 1HH1 ARG 60 1.855 -5.993 -12.623 450 2HH1 ARG 60 2HH1 ARG 60 0.417 -6.855 -13.074 451 1HH2 ARG 60 1HH2 ARG 60 -1.723 -4.103 -12.610 452 2HH2 ARG 60 2HH2 ARG 60 -1.621 -5.767 -13.095 453 H LYS 61 H LYS 61 4.319 -6.250 -8.113 454 HA LYS 61 HA LYS 61 2.656 -8.120 -6.941 455 1HB LYS 61 1HB LYS 61 4.707 -8.832 -7.920 456 2HB LYS 61 2HB LYS 61 5.658 -7.773 -6.897 457 1HG LYS 61 1HG LYS 61 4.064 -9.934 -5.600 458 2HG LYS 61 2HG LYS 61 5.526 -10.380 -6.473 459 1HD LYS 61 1HD LYS 61 5.323 -8.445 -4.160 460 2HD LYS 61 2HD LYS 61 6.012 -10.066 -4.114 461 1HE LYS 61 1HE LYS 61 7.071 -7.772 -5.770 462 2HE LYS 61 2HE LYS 61 7.726 -8.287 -4.218 463 1HZ LYS 61 1HZ LYS 61 8.250 -10.432 -5.192 464 2HZ LYS 61 2HZ LYS 61 8.990 -9.185 -6.060 465 3HZ LYS 61 3HZ LYS 61 7.617 -9.941 -6.683 466 H SER 62 H SER 62 5.007 -6.001 -5.332 467 HA SER 62 HA SER 62 4.604 -7.002 -2.747 468 1HB SER 62 1HB SER 62 5.567 -4.243 -3.530 469 2HB SER 62 2HB SER 62 5.883 -5.081 -2.011 470 HG SER 62 HG SER 62 7.592 -5.167 -3.649 471 H PHE 63 H PHE 63 3.275 -4.131 -4.368 472 HA PHE 63 HA PHE 63 1.690 -3.261 -2.199 473 1HB PHE 63 1HB PHE 63 1.478 -2.749 -5.174 474 2HB PHE 63 2HB PHE 63 0.422 -1.982 -3.995 475 HD1 PHE 63 HD1 PHE 63 3.917 -2.255 -5.155 476 HD2 PHE 63 HD2 PHE 63 1.174 -0.151 -2.670 477 HE1 PHE 63 HE1 PHE 63 5.594 -0.493 -4.799 478 HE2 PHE 63 HE2 PHE 63 2.848 1.615 -2.313 479 HZ PHE 63 HZ PHE 63 5.062 1.445 -3.379 480 H ALA 64 H ALA 64 1.167 -5.646 -4.697 481 HA ALA 64 HA ALA 64 -1.643 -5.894 -4.410 482 1HB ALA 64 1HB ALA 64 0.355 -7.946 -5.372 483 2HB ALA 64 2HB ALA 64 -0.450 -6.741 -6.376 484 3HB ALA 64 3HB ALA 64 -1.392 -8.014 -5.602 485 H SER 65 H SER 65 1.074 -7.754 -3.047 486 HA SER 65 HA SER 65 -0.765 -9.128 -1.240 487 1HB SER 65 1HB SER 65 1.328 -10.420 -0.603 488 2HB SER 65 2HB SER 65 0.812 -10.597 -2.280 489 HG SER 65 HG SER 65 2.610 -8.543 -1.721 490 H ILE 66 H ILE 66 -1.337 -7.446 0.120 491 HA ILE 66 HA ILE 66 0.357 -5.542 1.239 492 HB ILE 66 HB ILE 66 -2.197 -6.653 2.420 493 1HG1 ILE 66 1HG1 ILE 66 -1.722 -4.246 0.637 494 2HG1 ILE 66 2HG1 ILE 66 -2.478 -5.756 0.139 495 1HG2 ILE 66 1HG2 ILE 66 -2.331 -4.522 3.645 496 2HG2 ILE 66 2HG2 ILE 66 -0.746 -4.072 3.019 497 3HG2 ILE 66 3HG2 ILE 66 -0.905 -5.455 4.101 498 1HD1 ILE 66 1HD1 ILE 66 -4.129 -4.029 0.525 499 2HD1 ILE 66 2HD1 ILE 66 -3.558 -3.823 2.179 500 3HD1 ILE 66 3HD1 ILE 66 -4.319 -5.338 1.690 501 H LYS 67 H LYS 67 -0.660 -8.686 2.580 502 HA LYS 67 HA LYS 67 0.559 -8.422 5.079 503 1HB LYS 67 1HB LYS 67 0.365 -10.791 5.349 504 2HB LYS 67 2HB LYS 67 -1.050 -10.238 4.468 505 1HG LYS 67 1HG LYS 67 1.338 -11.371 3.039 506 2HG LYS 67 2HG LYS 67 0.086 -12.410 3.719 507 1HD LYS 67 1HD LYS 67 -1.598 -11.324 2.337 508 2HD LYS 67 2HD LYS 67 -0.385 -10.212 1.700 509 1HE LYS 67 1HE LYS 67 -0.898 -12.072 0.151 510 2HE LYS 67 2HE LYS 67 0.795 -12.027 0.637 511 1HZ LYS 67 1HZ LYS 67 -0.122 -14.280 0.657 512 2HZ LYS 67 2HZ LYS 67 -1.262 -13.822 1.819 513 3HZ LYS 67 3HZ LYS 67 0.385 -13.806 2.198 514 H ALA 68 H ALA 68 1.944 -9.144 1.974 515 HA ALA 68 HA ALA 68 4.428 -10.161 3.043 516 1HB ALA 68 1HB ALA 68 5.174 -10.195 0.711 517 2HB ALA 68 2HB ALA 68 3.714 -9.331 0.225 518 3HB ALA 68 3HB ALA 68 3.595 -10.963 0.885 519 H ILE 69 H ILE 69 3.346 -7.185 1.412 520 HA ILE 69 HA ILE 69 5.888 -5.944 1.440 521 HB ILE 69 HB ILE 69 3.996 -5.330 -0.086 522 1HG1 ILE 69 1HG1 ILE 69 5.175 -3.020 1.485 523 2HG1 ILE 69 2HG1 ILE 69 6.001 -3.895 0.199 524 1HG2 ILE 69 1HG2 ILE 69 2.314 -3.731 0.684 525 2HG2 ILE 69 2HG2 ILE 69 2.932 -3.865 2.332 526 3HG2 ILE 69 3HG2 ILE 69 2.190 -5.262 1.549 527 1HD1 ILE 69 1HD1 ILE 69 5.134 -1.806 -0.630 528 2HD1 ILE 69 2HD1 ILE 69 3.511 -2.226 -0.087 529 3HD1 ILE 69 3HD1 ILE 69 4.273 -3.148 -1.385 530 H GLU 70 H GLU 70 3.240 -6.012 3.758 531 HA GLU 70 HA GLU 70 4.164 -3.876 5.381 532 1HB GLU 70 1HB GLU 70 2.620 -4.656 7.071 533 2HB GLU 70 2HB GLU 70 1.848 -4.733 5.499 534 1HG GLU 70 1HG GLU 70 1.160 -6.713 6.408 535 2HG GLU 70 2HG GLU 70 2.612 -7.237 5.566 536 H ASP 71 H ASP 71 4.970 -7.247 5.147 537 HA ASP 71 HA ASP 71 6.506 -7.300 7.582 538 1HB ASP 71 1HB ASP 71 5.377 -9.315 6.598 539 2HB ASP 71 2HB ASP 71 6.544 -9.272 5.284 540 H THR 72 H THR 72 7.128 -6.967 4.136 541 HA THR 72 HA THR 72 9.946 -7.113 4.274 542 HB THR 72 HB THR 72 8.285 -5.719 2.158 543 HG1 THR 72 HG1 THR 72 8.195 -8.245 2.837 544 1HG2 THR 72 1HG2 THR 72 10.181 -6.246 0.684 545 2HG2 THR 72 2HG2 THR 72 11.056 -6.935 2.051 546 3HG2 THR 72 3HG2 THR 72 10.682 -5.211 2.021 547 H VAL 73 H VAL 73 7.692 -4.434 4.708 548 HA VAL 73 HA VAL 73 9.701 -2.401 4.549 549 HB VAL 73 HB VAL 73 7.332 -1.876 4.146 550 1HG1 VAL 73 1HG1 VAL 73 6.966 -2.356 7.103 551 2HG1 VAL 73 2HG1 VAL 73 6.283 -3.314 5.790 552 3HG1 VAL 73 3HG1 VAL 73 5.764 -1.645 6.025 553 1HG2 VAL 73 1HG2 VAL 73 7.240 0.229 5.411 554 2HG2 VAL 73 2HG2 VAL 73 8.852 -0.072 4.764 555 3HG2 VAL 73 3HG2 VAL 73 8.524 -0.356 6.473 556 H LYS 74 H LYS 74 8.566 -4.508 7.070 557 HA LYS 74 HA LYS 74 9.338 -3.066 9.348 558 1HB LYS 74 1HB LYS 74 9.220 -6.052 8.882 559 2HB LYS 74 2HB LYS 74 9.435 -5.307 10.462 560 1HG LYS 74 1HG LYS 74 7.272 -4.352 10.414 561 2HG LYS 74 2HG LYS 74 7.069 -4.719 8.700 562 1HD LYS 74 1HD LYS 74 7.130 -7.140 9.257 563 2HD LYS 74 2HD LYS 74 7.214 -6.716 10.970 564 1HE LYS 74 1HE LYS 74 5.052 -5.754 10.933 565 2HE LYS 74 2HE LYS 74 4.996 -5.762 9.171 566 1HZ LYS 74 1HZ LYS 74 3.652 -7.520 10.168 567 2HZ LYS 74 2HZ LYS 74 5.040 -8.195 10.869 568 3HZ LYS 74 3HZ LYS 74 4.878 -8.144 9.184 569 H LEU 75 H LEU 75 11.189 -5.344 7.336 570 HA LEU 75 HA LEU 75 13.458 -5.454 8.977 571 1HB LEU 75 1HB LEU 75 14.677 -6.299 7.013 572 2HB LEU 75 2HB LEU 75 13.156 -7.116 7.284 573 HG LEU 75 HG LEU 75 12.223 -5.518 5.461 574 1HD1 LEU 75 1HD1 LEU 75 13.872 -4.847 3.769 575 2HD1 LEU 75 2HD1 LEU 75 15.174 -5.343 4.851 576 3HD1 LEU 75 3HD1 LEU 75 14.115 -4.007 5.300 577 1HD2 LEU 75 1HD2 LEU 75 12.875 -7.087 3.704 578 2HD2 LEU 75 2HD2 LEU 75 12.453 -7.932 5.193 579 3HD2 LEU 75 3HD2 LEU 75 14.147 -7.730 4.745 580 H ILE 76 H ILE 76 12.429 -3.046 6.678 581 HA ILE 76 HA ILE 76 14.824 -1.627 6.323 582 HB ILE 76 HB ILE 76 12.035 -0.459 6.568 583 1HG1 ILE 76 1HG1 ILE 76 13.520 -1.381 4.087 584 2HG1 ILE 76 2HG1 ILE 76 12.189 -2.243 4.850 585 1HG2 ILE 76 1HG2 ILE 76 14.526 0.657 5.265 586 2HG2 ILE 76 2HG2 ILE 76 13.768 1.244 6.746 587 3HG2 ILE 76 3HG2 ILE 76 12.922 1.392 5.206 588 1HD1 ILE 76 1HD1 ILE 76 11.429 -1.016 2.913 589 2HD1 ILE 76 2HD1 ILE 76 12.043 0.487 3.598 590 3HD1 ILE 76 3HD1 ILE 76 10.707 -0.356 4.380 591 H LEU 77 H LEU 77 12.240 -1.144 8.725 592 HA LEU 77 HA LEU 77 13.549 0.850 10.225 593 1HB LEU 77 1HB LEU 77 11.446 -1.142 11.105 594 2HB LEU 77 2HB LEU 77 11.916 0.290 12.004 595 HG LEU 77 HG LEU 77 10.591 0.267 9.283 596 1HD1 LEU 77 1HD1 LEU 77 9.065 -0.383 11.067 597 2HD1 LEU 77 2HD1 LEU 77 8.668 1.224 10.458 598 3HD1 LEU 77 3HD1 LEU 77 9.517 1.048 11.995 599 1HD2 LEU 77 1HD2 LEU 77 12.110 2.157 9.502 600 2HD2 LEU 77 2HD2 LEU 77 11.386 2.583 11.053 601 3HD2 LEU 77 3HD2 LEU 77 10.434 2.703 9.574 602 H ASP 78 H ASP 78 13.713 -2.627 10.257 603 HA ASP 78 HA ASP 78 15.082 -2.914 12.738 604 1HB ASP 78 1HB ASP 78 13.873 -4.777 11.635 605 2HB ASP 78 2HB ASP 78 15.057 -4.764 10.332 606 H GLY 79 H GLY 79 16.093 -2.550 9.387 607 1HA GLY 79 1HA GLY 79 18.857 -3.052 9.790 608 2HA GLY 79 2HA GLY 79 18.138 -2.269 8.392 609 H LYS 80 H LYS 80 16.890 -0.236 10.248 610 HA LYS 80 HA LYS 80 18.857 1.763 10.133 611 1HB LYS 80 1HB LYS 80 16.408 1.617 11.889 612 2HB LYS 80 2HB LYS 80 17.379 3.060 11.620 613 1HG LYS 80 1HG LYS 80 16.859 2.602 9.101 614 2HG LYS 80 2HG LYS 80 15.519 1.652 9.756 615 1HD LYS 80 1HD LYS 80 14.842 3.640 11.089 616 2HD LYS 80 2HD LYS 80 16.110 4.558 10.275 617 1HE LYS 80 1HE LYS 80 15.023 4.105 8.114 618 2HE LYS 80 2HE LYS 80 13.742 3.231 8.954 619 1HZ LYS 80 1HZ LYS 80 13.336 5.350 10.207 620 2HZ LYS 80 2HZ LYS 80 12.938 5.396 8.570 621 3HZ LYS 80 3HZ LYS 80 14.365 6.123 9.110 622 H GLU 81 H GLU 81 17.782 -0.314 12.775 623 HA GLU 81 HA GLU 81 19.709 0.719 14.648 624 1HB GLU 81 1HB GLU 81 17.521 -0.194 15.368 625 2HB GLU 81 2HB GLU 81 18.000 -1.779 14.781 626 1HG GLU 81 1HG GLU 81 18.246 -1.704 17.168 627 2HG GLU 81 2HG GLU 81 19.842 -1.803 16.426 628 H ALA 82 H ALA 82 19.316 -2.215 12.720 629 HA ALA 82 HA ALA 82 21.774 -3.399 13.605 630 1HB ALA 82 1HB ALA 82 21.307 -5.128 11.938 631 2HB ALA 82 2HB ALA 82 19.991 -4.154 11.284 632 3HB ALA 82 3HB ALA 82 19.883 -4.793 12.924 633 H ALA 83 H ALA 83 23.123 -1.545 13.141 634 HA ALA 83 HA ALA 83 24.608 -1.866 10.751 635 1HB ALA 83 1HB ALA 83 22.748 -0.611 9.759 636 2HB ALA 83 2HB ALA 83 24.236 0.336 9.739 637 3HB ALA 83 3HB ALA 83 22.985 0.682 10.934 Start of MODEL 5 1 HA MET 1 HA MET 1 1.294 1.329 10.051 2 1HB MET 1 1HB MET 1 3.173 0.670 11.623 3 2HB MET 1 2HB MET 1 3.182 -0.900 10.834 4 1HG MET 1 1HG MET 1 3.721 0.154 8.703 5 2HG MET 1 2HG MET 1 3.669 1.742 9.466 6 1HE MET 1 1HE MET 1 6.916 -1.450 10.107 7 2HE MET 1 2HE MET 1 5.636 -1.522 8.898 8 3HE MET 1 3HE MET 1 5.251 -1.742 10.605 9 H ASN 2 H ASN 2 1.167 -2.226 10.427 10 HA ASN 2 HA ASN 2 1.413 -2.837 7.700 11 1HB ASN 2 1HB ASN 2 0.582 -5.062 8.269 12 2HB ASN 2 2HB ASN 2 1.727 -4.514 9.487 13 1HD2 ASN 2 1HD2 ASN 2 -0.367 -6.535 9.643 14 2HD2 ASN 2 2HD2 ASN 2 -1.399 -6.060 10.945 15 H ALA 3 H ALA 3 -1.492 -2.410 9.708 16 HA ALA 3 HA ALA 3 -3.297 -2.745 7.496 17 1HB ALA 3 1HB ALA 3 -5.035 -2.076 9.077 18 2HB ALA 3 2HB ALA 3 -3.803 -1.591 10.243 19 3HB ALA 3 3HB ALA 3 -3.970 -3.287 9.793 20 H THR 4 H THR 4 -1.708 -0.093 9.119 21 HA THR 4 HA THR 4 -3.054 2.124 8.175 22 HB THR 4 HB THR 4 -0.042 1.856 8.417 23 HG1 THR 4 HG1 THR 4 -1.803 2.732 10.469 24 1HG2 THR 4 1HG2 THR 4 -0.781 3.943 7.356 25 2HG2 THR 4 2HG2 THR 4 -0.086 4.240 8.952 26 3HG2 THR 4 3HG2 THR 4 -1.838 4.269 8.731 27 H ILE 5 H ILE 5 -0.615 0.149 6.575 28 HA ILE 5 HA ILE 5 -0.178 1.576 4.244 29 HB ILE 5 HB ILE 5 -0.323 -1.431 4.564 30 1HG1 ILE 5 1HG1 ILE 5 2.103 0.389 4.661 31 2HG1 ILE 5 2HG1 ILE 5 1.275 -0.216 6.089 32 1HG2 ILE 5 1HG2 ILE 5 1.132 -1.522 2.580 33 2HG2 ILE 5 2HG2 ILE 5 0.992 0.228 2.404 34 3HG2 ILE 5 3HG2 ILE 5 -0.431 -0.795 2.215 35 1HD1 ILE 5 1HD1 ILE 5 3.261 -1.511 5.611 36 2HD1 ILE 5 2HD1 ILE 5 2.646 -1.895 4.004 37 3HD1 ILE 5 3HD1 ILE 5 1.814 -2.505 5.437 38 H ARG 6 H ARG 6 -2.516 -1.123 4.619 39 HA ARG 6 HA ARG 6 -3.751 -0.617 2.105 40 1HB ARG 6 1HB ARG 6 -5.473 -2.235 2.852 41 2HB ARG 6 2HB ARG 6 -3.836 -2.842 3.061 42 1HG ARG 6 1HG ARG 6 -3.968 -2.212 5.464 43 2HG ARG 6 2HG ARG 6 -5.659 -1.775 5.213 44 1HD ARG 6 1HD ARG 6 -6.168 -4.066 4.544 45 2HD ARG 6 2HD ARG 6 -4.470 -4.511 4.719 46 HE ARG 6 HE ARG 6 -5.777 -3.432 7.086 47 1HH1 ARG 6 1HH1 ARG 6 -4.780 -6.306 5.341 48 2HH1 ARG 6 2HH1 ARG 6 -4.819 -7.323 6.740 49 1HH2 ARG 6 1HH2 ARG 6 -5.807 -4.771 8.932 50 2HH2 ARG 6 2HH2 ARG 6 -5.390 -6.450 8.782 51 H GLU 7 H GLU 7 -4.161 0.667 5.264 52 HA GLU 7 HA GLU 7 -6.821 1.619 5.029 53 1HB GLU 7 1HB GLU 7 -5.730 1.378 7.206 54 2HB GLU 7 2HB GLU 7 -4.528 2.581 6.759 55 1HG GLU 7 1HG GLU 7 -6.394 4.244 6.561 56 2HG GLU 7 2HG GLU 7 -7.469 3.022 7.241 57 H ILE 8 H ILE 8 -3.647 2.992 4.215 58 HA ILE 8 HA ILE 8 -4.595 5.630 3.829 59 HB ILE 8 HB ILE 8 -2.142 4.954 4.145 60 1HG1 ILE 8 1HG1 ILE 8 -2.919 6.884 1.949 61 2HG1 ILE 8 2HG1 ILE 8 -2.872 7.244 3.669 62 1HG2 ILE 8 1HG2 ILE 8 -1.986 3.284 2.381 63 2HG2 ILE 8 2HG2 ILE 8 -0.846 4.597 2.094 64 3HG2 ILE 8 3HG2 ILE 8 -2.342 4.509 1.165 65 1HD1 ILE 8 1HD1 ILE 8 -0.517 6.560 1.930 66 2HD1 ILE 8 2HD1 ILE 8 -0.456 6.900 3.661 67 3HD1 ILE 8 3HD1 ILE 8 -0.951 8.160 2.530 68 H LEU 9 H LEU 9 -4.413 2.831 1.729 69 HA LEU 9 HA LEU 9 -4.835 4.106 -0.744 70 1HB LEU 9 1HB LEU 9 -5.384 1.330 0.264 71 2HB LEU 9 2HB LEU 9 -5.960 1.810 -1.320 72 HG LEU 9 HG LEU 9 -3.853 0.605 -1.502 73 1HD1 LEU 9 1HD1 LEU 9 -3.515 3.540 -2.122 74 2HD1 LEU 9 2HD1 LEU 9 -4.316 2.347 -3.145 75 3HD1 LEU 9 3HD1 LEU 9 -2.586 2.215 -2.828 76 1HD2 LEU 9 1HD2 LEU 9 -2.664 2.808 0.184 77 2HD2 LEU 9 2HD2 LEU 9 -1.777 1.493 -0.592 78 3HD2 LEU 9 3HD2 LEU 9 -2.927 1.140 0.697 79 H ALA 10 H ALA 10 -6.990 3.419 1.872 80 HA ALA 10 HA ALA 10 -9.415 3.604 0.355 81 1HB ALA 10 1HB ALA 10 -10.534 3.566 2.529 82 2HB ALA 10 2HB ALA 10 -8.981 3.774 3.337 83 3HB ALA 10 3HB ALA 10 -9.305 2.304 2.420 84 H LYS 11 H LYS 11 -7.336 5.870 1.988 85 HA LYS 11 HA LYS 11 -9.367 7.983 1.689 86 1HB LYS 11 1HB LYS 11 -7.837 9.210 3.389 87 2HB LYS 11 2HB LYS 11 -8.898 7.927 3.955 88 1HG LYS 11 1HG LYS 11 -6.946 6.362 3.819 89 2HG LYS 11 2HG LYS 11 -5.927 7.760 3.474 90 1HD LYS 11 1HD LYS 11 -6.472 8.751 5.611 91 2HD LYS 11 2HD LYS 11 -7.659 7.486 5.938 92 1HE LYS 11 1HE LYS 11 -5.813 5.816 5.904 93 2HE LYS 11 2HE LYS 11 -4.665 7.144 5.721 94 1HZ LYS 11 1HZ LYS 11 -6.554 6.889 7.996 95 2HZ LYS 11 2HZ LYS 11 -5.285 7.997 7.846 96 3HZ LYS 11 3HZ LYS 11 -4.953 6.349 8.040 97 H PHE 12 H PHE 12 -5.812 7.556 1.443 98 HA PHE 12 HA PHE 12 -5.645 9.936 -0.234 99 1HB PHE 12 1HB PHE 12 -3.574 8.099 0.948 100 2HB PHE 12 2HB PHE 12 -3.147 9.309 -0.248 101 HD1 PHE 12 HD2 PHE 12 -4.555 8.823 3.141 102 HD2 PHE 12 HD1 PHE 12 -2.883 11.575 0.356 103 HE1 PHE 12 HE2 PHE 12 -4.359 10.507 4.926 104 HE2 PHE 12 HE1 PHE 12 -2.685 13.262 2.134 105 HZ PHE 12 HZ PHE 12 -3.424 12.729 4.423 106 H GLY 13 H GLY 13 -5.376 6.452 -0.512 107 1HA GLY 13 1HA GLY 13 -4.225 6.349 -3.091 108 2HA GLY 13 2HA GLY 13 -5.147 5.063 -2.325 109 H GLN 14 H GLN 14 -5.093 7.206 -4.877 110 HA GLN 14 HA GLN 14 -7.921 7.619 -5.163 111 1HB GLN 14 1HB GLN 14 -5.763 7.868 -7.275 112 2HB GLN 14 2HB GLN 14 -7.388 8.536 -7.355 113 1HG GLN 14 1HG GLN 14 -6.819 9.926 -5.348 114 2HG GLN 14 2HG GLN 14 -5.156 9.369 -5.511 115 1HE2 GLN 14 1HE2 GLN 14 -5.401 9.378 -8.493 116 2HE2 GLN 14 2HE2 GLN 14 -5.277 11.043 -8.940 117 H LEU 15 H LEU 15 -8.371 5.308 -4.749 118 HA LEU 15 HA LEU 15 -7.999 3.543 -7.063 119 1HB LEU 15 1HB LEU 15 -7.503 2.827 -4.648 120 2HB LEU 15 2HB LEU 15 -9.235 2.857 -4.386 121 HG LEU 15 HG LEU 15 -9.478 1.136 -6.197 122 1HD1 LEU 15 1HD1 LEU 15 -7.403 1.588 -7.397 123 2HD1 LEU 15 2HD1 LEU 15 -7.495 -0.102 -6.903 124 3HD1 LEU 15 3HD1 LEU 15 -6.468 1.023 -6.013 125 1HD2 LEU 15 1HD2 LEU 15 -9.479 0.476 -3.846 126 2HD2 LEU 15 2HD2 LEU 15 -7.720 0.369 -3.860 127 3HD2 LEU 15 3HD2 LEU 15 -8.679 -0.744 -4.837 128 HA PRO 16 HA PRO 16 -12.135 4.640 -8.313 129 1HB PRO 16 1HB PRO 16 -12.534 2.734 -10.210 130 2HB PRO 16 2HB PRO 16 -11.466 4.120 -10.466 131 1HG PRO 16 1HG PRO 16 -10.781 1.295 -9.766 132 2HG PRO 16 2HG PRO 16 -9.954 2.409 -10.868 133 1HD PRO 16 1HD PRO 16 -9.115 1.870 -8.311 134 2HD PRO 16 2HD PRO 16 -8.753 3.386 -9.171 135 H THR 17 H THR 17 -11.193 1.648 -7.036 136 HA THR 17 HA THR 17 -13.936 0.765 -6.510 137 HB THR 17 HB THR 17 -11.284 -0.673 -6.693 138 HG1 THR 17 HG1 THR 17 -11.964 -1.034 -8.646 139 1HG2 THR 17 1HG2 THR 17 -12.484 -2.752 -6.202 140 2HG2 THR 17 2HG2 THR 17 -13.938 -1.819 -5.843 141 3HG2 THR 17 3HG2 THR 17 -12.502 -1.637 -4.836 142 HA PRO 18 HA PRO 18 -13.144 1.861 -2.230 143 1HB PRO 18 1HB PRO 18 -15.001 0.236 -1.027 144 2HB PRO 18 2HB PRO 18 -15.402 1.765 -1.819 145 1HG PRO 18 1HG PRO 18 -15.644 -1.030 -2.863 146 2HG PRO 18 2HG PRO 18 -16.766 0.332 -3.036 147 1HD PRO 18 1HD PRO 18 -15.086 -0.425 -5.021 148 2HD PRO 18 2HD PRO 18 -15.554 1.268 -4.778 149 H VAL 19 H VAL 19 -11.453 1.177 -1.088 150 HA VAL 19 HA VAL 19 -10.192 -1.290 -1.389 151 HB VAL 19 HB VAL 19 -9.992 0.631 0.948 152 1HG1 VAL 19 1HG1 VAL 19 -8.106 -1.579 0.099 153 2HG1 VAL 19 2HG1 VAL 19 -9.094 -1.554 1.560 154 3HG1 VAL 19 3HG1 VAL 19 -7.786 -0.387 1.361 155 1HG2 VAL 19 1HG2 VAL 19 -9.474 1.685 -1.190 156 2HG2 VAL 19 2HG2 VAL 19 -8.332 0.395 -1.569 157 3HG2 VAL 19 3HG2 VAL 19 -8.011 1.491 -0.225 158 H ASP 20 H ASP 20 -12.814 -0.364 0.661 159 HA ASP 20 HA ASP 20 -12.707 -2.214 2.709 160 1HB ASP 20 1HB ASP 20 -14.327 -0.377 2.627 161 2HB ASP 20 2HB ASP 20 -15.162 -1.154 1.286 162 H THR 21 H THR 21 -13.538 -2.757 -0.651 163 HA THR 21 HA THR 21 -14.785 -5.324 -0.077 164 HB THR 21 HB THR 21 -15.640 -3.786 -1.901 165 HG1 THR 21 HG1 THR 21 -15.916 -6.199 -1.736 166 1HG2 THR 21 1HG2 THR 21 -13.483 -3.140 -2.882 167 2HG2 THR 21 2HG2 THR 21 -14.529 -3.887 -4.088 168 3HG2 THR 21 3HG2 THR 21 -13.204 -4.810 -3.378 169 H ILE 22 H ILE 22 -11.661 -4.110 -0.998 170 HA ILE 22 HA ILE 22 -10.738 -6.812 -1.697 171 HB ILE 22 HB ILE 22 -8.591 -5.728 -2.336 172 1HG1 ILE 22 1HG1 ILE 22 -10.083 -3.153 -1.750 173 2HG1 ILE 22 2HG1 ILE 22 -8.698 -3.772 -0.858 174 1HG2 ILE 22 1HG2 ILE 22 -10.307 -6.148 -4.024 175 2HG2 ILE 22 2HG2 ILE 22 -9.411 -4.673 -4.391 176 3HG2 ILE 22 3HG2 ILE 22 -11.031 -4.571 -3.697 177 1HD1 ILE 22 1HD1 ILE 22 -8.034 -1.999 -2.350 178 2HD1 ILE 22 2HD1 ILE 22 -8.705 -2.869 -3.728 179 3HD1 ILE 22 3HD1 ILE 22 -7.316 -3.524 -2.862 180 H ALA 23 H ALA 23 -8.195 -6.891 -0.855 181 HA ALA 23 HA ALA 23 -7.930 -6.113 1.896 182 1HB ALA 23 1HB ALA 23 -9.467 -8.015 2.143 183 2HB ALA 23 2HB ALA 23 -7.889 -8.369 2.844 184 3HB ALA 23 3HB ALA 23 -8.330 -9.048 1.278 185 H ASP 24 H ASP 24 -5.957 -7.438 2.840 186 HA ASP 24 HA ASP 24 -3.743 -6.744 1.212 187 1HB ASP 24 1HB ASP 24 -2.381 -7.743 3.016 188 2HB ASP 24 2HB ASP 24 -3.613 -6.656 3.647 189 H GLU 25 H GLU 25 -5.575 -9.631 1.600 190 HA GLU 25 HA GLU 25 -3.560 -11.330 0.348 191 1HB GLU 25 1HB GLU 25 -6.366 -12.033 1.244 192 2HB GLU 25 2HB GLU 25 -5.083 -13.159 0.822 193 1HG GLU 25 1HG GLU 25 -3.773 -12.328 2.753 194 2HG GLU 25 2HG GLU 25 -5.135 -11.299 3.193 195 H ALA 26 H ALA 26 -5.838 -9.198 -0.721 196 HA ALA 26 HA ALA 26 -6.804 -10.837 -2.953 197 1HB ALA 26 1HB ALA 26 -8.467 -9.587 -1.637 198 2HB ALA 26 2HB ALA 26 -8.437 -9.081 -3.328 199 3HB ALA 26 3HB ALA 26 -7.675 -8.078 -2.092 200 H ASP 27 H ASP 27 -6.831 -9.894 -5.111 201 HA ASP 27 HA ASP 27 -4.274 -8.774 -5.801 202 1HB ASP 27 1HB ASP 27 -6.678 -9.358 -7.561 203 2HB ASP 27 2HB ASP 27 -5.067 -8.944 -8.137 204 H LEU 28 H LEU 28 -4.229 -6.734 -4.887 205 HA LEU 28 HA LEU 28 -6.173 -4.762 -4.966 206 1HB LEU 28 1HB LEU 28 -3.209 -4.231 -5.196 207 2HB LEU 28 2HB LEU 28 -4.431 -3.175 -4.512 208 HG LEU 28 HG LEU 28 -3.511 -5.800 -3.324 209 1HD1 LEU 28 1HD1 LEU 28 -2.523 -4.392 -1.580 210 2HD1 LEU 28 2HD1 LEU 28 -2.998 -2.949 -2.473 211 3HD1 LEU 28 3HD1 LEU 28 -1.817 -4.064 -3.160 212 1HD2 LEU 28 1HD2 LEU 28 -5.458 -3.745 -2.264 213 2HD2 LEU 28 2HD2 LEU 28 -4.861 -5.148 -1.379 214 3HD2 LEU 28 3HD2 LEU 28 -5.857 -5.372 -2.817 215 H TYR 29 H TYR 29 -3.651 -5.487 -7.328 216 HA TYR 29 HA TYR 29 -4.107 -3.284 -9.015 217 1HB TYR 29 1HB TYR 29 -2.872 -4.648 -10.739 218 2HB TYR 29 2HB TYR 29 -2.023 -4.411 -9.218 219 HD1 TYR 29 HD2 TYR 29 -1.770 -6.294 -7.630 220 HD2 TYR 29 HD1 TYR 29 -3.516 -6.855 -11.474 221 HE1 TYR 29 HE2 TYR 29 -1.417 -8.716 -7.431 222 HE2 TYR 29 HE1 TYR 29 -3.170 -9.281 -11.283 223 HH TYR 29 HH TYR 29 -2.490 -10.821 -8.419 224 H ALA 30 H ALA 30 -5.808 -6.277 -8.660 225 HA ALA 30 HA ALA 30 -7.110 -6.211 -11.217 226 1HB ALA 30 1HB ALA 30 -6.830 -8.308 -9.978 227 2HB ALA 30 2HB ALA 30 -8.531 -7.982 -10.310 228 3HB ALA 30 3HB ALA 30 -7.876 -7.695 -8.697 229 H ALA 31 H ALA 31 -7.762 -4.972 -7.996 230 HA ALA 31 HA ALA 31 -10.454 -4.168 -8.471 231 1HB ALA 31 1HB ALA 31 -10.197 -2.835 -6.435 232 2HB ALA 31 2HB ALA 31 -8.455 -3.123 -6.460 233 3HB ALA 31 3HB ALA 31 -9.570 -4.468 -6.216 234 H GLY 32 H GLY 32 -7.352 -2.833 -9.180 235 1HA GLY 32 1HA GLY 32 -7.491 -1.380 -11.225 236 2HA GLY 32 2HA GLY 32 -8.664 -0.436 -10.323 237 H LEU 33 H LEU 33 -5.746 -1.797 -8.901 238 HA LEU 33 HA LEU 33 -4.897 0.657 -7.822 239 1HB LEU 33 1HB LEU 33 -4.212 -1.543 -6.928 240 2HB LEU 33 2HB LEU 33 -3.257 -1.827 -8.370 241 HG LEU 33 HG LEU 33 -1.810 0.096 -7.782 242 1HD1 LEU 33 1HD1 LEU 33 -3.416 1.416 -6.511 243 2HD1 LEU 33 2HD1 LEU 33 -1.969 1.101 -5.554 244 3HD1 LEU 33 3HD1 LEU 33 -3.447 0.189 -5.243 245 1HD2 LEU 33 1HD2 LEU 33 -2.075 -1.984 -5.602 246 2HD2 LEU 33 2HD2 LEU 33 -0.658 -0.977 -5.903 247 3HD2 LEU 33 3HD2 LEU 33 -1.167 -2.161 -7.105 248 H SER 34 H SER 34 -4.260 2.350 -8.961 249 HA SER 34 HA SER 34 -2.667 1.934 -11.407 250 1HB SER 34 1HB SER 34 -4.630 4.174 -10.822 251 2HB SER 34 2HB SER 34 -3.725 3.949 -12.320 252 HG SER 34 HG SER 34 -5.790 2.328 -11.248 253 H SER 35 H SER 35 -1.248 3.788 -11.945 254 HA SER 35 HA SER 35 0.684 4.174 -10.052 255 1HB SER 35 1HB SER 35 0.079 6.128 -12.287 256 2HB SER 35 2HB SER 35 1.644 5.831 -11.528 257 HG SER 35 HG SER 35 0.203 4.250 -13.341 258 H PHE 36 H PHE 36 -1.914 6.473 -10.881 259 HA PHE 36 HA PHE 36 -1.073 8.562 -9.220 260 1HB PHE 36 1HB PHE 36 -3.882 7.850 -10.102 261 2HB PHE 36 2HB PHE 36 -3.417 9.386 -9.375 262 HD1 PHE 36 HD2 PHE 36 -1.615 10.767 -10.584 263 HD2 PHE 36 HD1 PHE 36 -3.742 7.558 -12.415 264 HE1 PHE 36 HE2 PHE 36 -1.026 11.645 -12.805 265 HE2 PHE 36 HE1 PHE 36 -3.153 8.436 -14.637 266 HZ PHE 36 HZ PHE 36 -1.795 10.481 -14.834 267 H ALA 37 H ALA 37 -2.918 5.684 -8.494 268 HA ALA 37 HA ALA 37 -3.740 6.559 -5.878 269 1HB ALA 37 1HB ALA 37 -4.621 4.308 -5.613 270 2HB ALA 37 2HB ALA 37 -3.777 3.786 -7.073 271 3HB ALA 37 3HB ALA 37 -5.083 4.966 -7.183 272 H SER 38 H SER 38 -1.218 4.468 -7.216 273 HA SER 38 HA SER 38 -0.361 3.462 -4.693 274 1HB SER 38 1HB SER 38 1.593 2.588 -6.014 275 2HB SER 38 2HB SER 38 0.021 2.137 -6.677 276 HG SER 38 HG SER 38 2.008 3.539 -7.827 277 H VAL 39 H VAL 39 0.904 5.946 -6.896 278 HA VAL 39 HA VAL 39 3.236 6.573 -5.510 279 HB VAL 39 HB VAL 39 1.490 8.424 -7.162 280 1HG1 VAL 39 1HG1 VAL 39 3.495 9.824 -7.406 281 2HG1 VAL 39 2HG1 VAL 39 4.360 8.782 -6.274 282 3HG1 VAL 39 3HG1 VAL 39 2.971 9.723 -5.725 283 1HG2 VAL 39 1HG2 VAL 39 3.945 6.829 -7.920 284 2HG2 VAL 39 2HG2 VAL 39 3.072 7.942 -8.970 285 3HG2 VAL 39 3HG2 VAL 39 2.287 6.471 -8.400 286 H GLN 40 H GLN 40 0.012 8.067 -5.230 287 HA GLN 40 HA GLN 40 0.721 9.948 -3.272 288 1HB GLN 40 1HB GLN 40 -1.377 9.993 -4.654 289 2HB GLN 40 2HB GLN 40 -2.005 8.682 -3.663 290 1HG GLN 40 1HG GLN 40 -2.925 10.783 -2.924 291 2HG GLN 40 2HG GLN 40 -1.865 10.128 -1.679 292 1HE2 GLN 40 1HE2 GLN 40 -2.293 12.632 -4.058 293 2HE2 GLN 40 2HE2 GLN 40 -1.010 13.652 -3.508 294 H LEU 41 H LEU 41 -0.329 6.612 -3.045 295 HA LEU 41 HA LEU 41 -0.749 6.426 -0.287 296 1HB LEU 41 1HB LEU 41 -1.256 4.335 -0.897 297 2HB LEU 41 2HB LEU 41 -0.628 4.657 -2.495 298 HG LEU 41 HG LEU 41 1.673 3.965 -1.509 299 1HD1 LEU 41 1HD1 LEU 41 1.035 3.965 0.847 300 2HD1 LEU 41 2HD1 LEU 41 1.578 2.369 0.333 301 3HD1 LEU 41 3HD1 LEU 41 -0.144 2.689 0.537 302 1HD2 LEU 41 1HD2 LEU 41 -0.505 1.911 -1.900 303 2HD2 LEU 41 2HD2 LEU 41 1.231 1.612 -1.993 304 3HD2 LEU 41 3HD2 LEU 41 0.456 2.666 -3.174 305 H MET 42 H MET 42 2.214 6.321 -2.197 306 HA MET 42 HA MET 42 3.924 5.389 -0.135 307 1HB MET 42 1HB MET 42 4.783 7.138 -2.447 308 2HB MET 42 2HB MET 42 5.746 5.954 -1.572 309 1HG MET 42 1HG MET 42 4.197 4.189 -2.482 310 2HG MET 42 2HG MET 42 3.507 5.449 -3.510 311 1HE MET 42 1HE MET 42 6.222 7.176 -3.961 312 2HE MET 42 2HE MET 42 5.080 6.890 -5.272 313 3HE MET 42 3HE MET 42 6.792 6.533 -5.500 314 H LEU 43 H LEU 43 3.324 8.656 -1.418 315 HA LEU 43 HA LEU 43 5.098 10.007 0.278 316 1HB LEU 43 1HB LEU 43 2.651 10.914 -1.230 317 2HB LEU 43 2HB LEU 43 3.564 12.022 -0.225 318 HG LEU 43 HG LEU 43 4.248 12.295 -2.519 319 1HD1 LEU 43 1HD1 LEU 43 6.378 10.835 -0.960 320 2HD1 LEU 43 2HD1 LEU 43 5.973 12.546 -0.823 321 3HD1 LEU 43 3HD1 LEU 43 6.647 11.919 -2.326 322 1HD2 LEU 43 1HD2 LEU 43 4.925 9.351 -2.515 323 2HD2 LEU 43 2HD2 LEU 43 5.279 10.491 -3.813 324 3HD2 LEU 43 3HD2 LEU 43 3.607 10.117 -3.402 325 H GLY 44 H GLY 44 1.627 9.327 0.646 326 1HA GLY 44 1HA GLY 44 1.307 10.795 3.053 327 2HA GLY 44 2HA GLY 44 0.228 9.541 2.456 328 H ILE 45 H ILE 45 1.945 7.371 2.405 329 HA ILE 45 HA ILE 45 1.870 6.540 5.109 330 HB ILE 45 HB ILE 45 2.651 5.342 2.519 331 1HG1 ILE 45 1HG1 ILE 45 0.423 5.019 3.506 332 2HG1 ILE 45 2HG1 ILE 45 1.266 3.486 3.323 333 1HG2 ILE 45 1HG2 ILE 45 3.715 3.362 3.564 334 2HG2 ILE 45 2HG2 ILE 45 3.796 4.255 5.083 335 3HG2 ILE 45 3HG2 ILE 45 4.689 4.828 3.676 336 1HD1 ILE 45 1HD1 ILE 45 0.980 5.041 5.885 337 2HD1 ILE 45 2HD1 ILE 45 1.811 3.497 5.701 338 3HD1 ILE 45 3HD1 ILE 45 0.071 3.601 5.431 339 H GLU 46 H GLU 46 4.412 7.824 3.066 340 HA GLU 46 HA GLU 46 6.651 7.222 4.632 341 1HB GLU 46 1HB GLU 46 6.886 8.094 2.382 342 2HB GLU 46 2HB GLU 46 6.093 9.596 2.837 343 1HG GLU 46 1HG GLU 46 7.950 10.193 4.266 344 2HG GLU 46 2HG GLU 46 8.732 8.647 3.942 345 H GLU 47 H GLU 47 4.689 10.194 4.589 346 HA GLU 47 HA GLU 47 5.952 11.317 6.880 347 1HB GLU 47 1HB GLU 47 4.062 12.953 6.813 348 2HB GLU 47 2HB GLU 47 4.923 12.795 5.288 349 1HG GLU 47 1HG GLU 47 3.144 11.349 4.434 350 2HG GLU 47 2HG GLU 47 2.281 11.512 5.963 351 H ALA 48 H ALA 48 3.302 9.133 6.398 352 HA ALA 48 HA ALA 48 1.810 9.589 8.705 353 1HB ALA 48 1HB ALA 48 1.000 8.265 6.820 354 2HB ALA 48 2HB ALA 48 0.840 7.387 8.340 355 3HB ALA 48 3HB ALA 48 2.143 6.984 7.222 356 H PHE 49 H PHE 49 4.463 7.153 8.247 357 HA PHE 49 HA PHE 49 4.524 7.035 11.194 358 1HB PHE 49 1HB PHE 49 4.759 4.676 11.250 359 2HB PHE 49 2HB PHE 49 3.386 5.035 10.222 360 HD1 PHE 49 HD2 PHE 49 6.852 3.793 10.296 361 HD2 PHE 49 HD1 PHE 49 3.392 4.445 7.892 362 HE1 PHE 49 HE2 PHE 49 7.787 2.326 8.554 363 HE2 PHE 49 HE1 PHE 49 4.328 2.972 6.160 364 HZ PHE 49 HZ PHE 49 6.527 1.924 6.481 365 H ASP 50 H ASP 50 6.480 6.812 8.237 366 HA ASP 50 HA ASP 50 8.747 7.865 9.513 367 1HB ASP 50 1HB ASP 50 8.683 5.532 10.572 368 2HB ASP 50 2HB ASP 50 9.116 4.908 8.985 369 H ILE 51 H ILE 51 8.388 5.229 7.107 370 HA ILE 51 HA ILE 51 9.430 7.049 5.048 371 HB ILE 51 HB ILE 51 11.020 5.494 4.191 372 1HG1 ILE 51 1HG1 ILE 51 9.864 3.373 4.594 373 2HG1 ILE 51 2HG1 ILE 51 11.505 3.301 5.212 374 1HG2 ILE 51 1HG2 ILE 51 11.361 5.709 7.177 375 2HG2 ILE 51 2HG2 ILE 51 11.850 6.897 5.970 376 3HG2 ILE 51 3HG2 ILE 51 12.643 5.323 6.028 377 1HD1 ILE 51 1HD1 ILE 51 10.590 3.725 7.493 378 2HD1 ILE 51 2HD1 ILE 51 10.078 2.206 6.758 379 3HD1 ILE 51 3HD1 ILE 51 8.970 3.576 6.807 380 H GLU 52 H GLU 52 9.289 6.051 2.846 381 HA GLU 52 HA GLU 52 6.808 4.518 2.561 382 1HB GLU 52 1HB GLU 52 7.239 5.226 0.041 383 2HB GLU 52 2HB GLU 52 6.471 6.315 1.182 384 1HG GLU 52 1HG GLU 52 8.121 7.455 -0.202 385 2HG GLU 52 2HG GLU 52 8.547 7.512 1.503 386 H PHE 53 H PHE 53 6.834 3.042 0.577 387 HA PHE 53 HA PHE 53 8.706 0.993 1.113 388 1HB PHE 53 1HB PHE 53 6.816 1.243 -1.240 389 2HB PHE 53 2HB PHE 53 7.570 -0.239 -0.651 390 HD1 PHE 53 HD2 PHE 53 7.151 -0.669 1.958 391 HD2 PHE 53 HD1 PHE 53 4.624 1.619 -0.600 392 HE1 PHE 53 HE2 PHE 53 5.268 -1.026 3.499 393 HE2 PHE 53 HE1 PHE 53 2.743 1.268 0.943 394 HZ PHE 53 HZ PHE 53 3.065 -0.056 2.994 395 HA PRO 54 HA PRO 54 12.014 2.594 -1.355 396 1HB PRO 54 1HB PRO 54 13.626 0.396 -1.312 397 2HB PRO 54 2HB PRO 54 13.420 1.473 0.077 398 1HG PRO 54 1HG PRO 54 12.064 -1.146 -0.499 399 2HG PRO 54 2HG PRO 54 12.805 -0.580 1.014 400 1HD PRO 54 1HD PRO 54 10.149 -0.474 0.626 401 2HD PRO 54 2HD PRO 54 11.003 0.796 1.527 402 H ASP 55 H ASP 55 12.888 2.448 -3.399 403 HA ASP 55 HA ASP 55 11.229 1.633 -5.458 404 1HB ASP 55 1HB ASP 55 12.976 3.370 -5.648 405 2HB ASP 55 2HB ASP 55 14.219 2.127 -5.556 406 H ASN 56 H ASN 56 13.793 -0.095 -3.865 407 HA ASN 56 HA ASN 56 14.477 -2.069 -5.653 408 1HB ASN 56 1HB ASN 56 15.524 -1.680 -3.426 409 2HB ASN 56 2HB ASN 56 14.119 -2.403 -2.658 410 1HD2 ASN 56 1HD2 ASN 56 16.975 -3.142 -2.650 411 2HD2 ASN 56 2HD2 ASN 56 17.017 -4.803 -3.133 412 H LEU 57 H LEU 57 11.700 -2.044 -3.429 413 HA LEU 57 HA LEU 57 10.737 -4.529 -4.693 414 1HB LEU 57 1HB LEU 57 9.325 -4.770 -2.630 415 2HB LEU 57 2HB LEU 57 11.054 -4.902 -2.380 416 HG LEU 57 HG LEU 57 10.981 -2.449 -1.633 417 1HD1 LEU 57 1HD1 LEU 57 8.835 -1.651 -0.745 418 2HD1 LEU 57 2HD1 LEU 57 8.025 -3.043 -1.466 419 3HD1 LEU 57 3HD1 LEU 57 8.797 -1.839 -2.498 420 1HD2 LEU 57 1HD2 LEU 57 10.322 -3.047 0.638 421 2HD2 LEU 57 2HD2 LEU 57 11.298 -4.320 -0.094 422 3HD2 LEU 57 3HD2 LEU 57 9.549 -4.516 0.040 423 H LEU 58 H LEU 58 10.289 -1.301 -4.899 424 HA LEU 58 HA LEU 58 7.540 -0.877 -4.618 425 1HB LEU 58 1HB LEU 58 9.470 0.803 -4.932 426 2HB LEU 58 2HB LEU 58 9.259 0.545 -6.650 427 HG LEU 58 HG LEU 58 7.035 1.536 -4.850 428 1HD1 LEU 58 1HD1 LEU 58 8.947 3.155 -6.536 429 2HD1 LEU 58 2HD1 LEU 58 8.890 3.118 -4.773 430 3HD1 LEU 58 3HD1 LEU 58 7.534 3.779 -5.685 431 1HD2 LEU 58 1HD2 LEU 58 6.042 2.314 -6.959 432 2HD2 LEU 58 2HD2 LEU 58 6.263 0.567 -6.947 433 3HD2 LEU 58 3HD2 LEU 58 7.378 1.589 -7.852 434 H ASN 59 H ASN 59 9.423 -1.991 -7.392 435 HA ASN 59 HA ASN 59 7.025 -2.056 -9.072 436 1HB ASN 59 1HB ASN 59 9.187 -1.091 -9.914 437 2HB ASN 59 2HB ASN 59 9.898 -2.697 -9.808 438 1HD2 ASN 59 1HD2 ASN 59 10.317 -2.800 -11.997 439 2HD2 ASN 59 2HD2 ASN 59 9.073 -2.987 -13.181 440 H ARG 60 H ARG 60 7.738 -4.000 -6.786 441 HA ARG 60 HA ARG 60 7.805 -6.499 -8.360 442 1HB ARG 60 1HB ARG 60 8.772 -6.027 -5.532 443 2HB ARG 60 2HB ARG 60 8.828 -7.562 -6.388 444 1HG ARG 60 1HG ARG 60 10.235 -5.090 -7.381 445 2HG ARG 60 2HG ARG 60 10.987 -6.236 -6.276 446 1HD ARG 60 1HD ARG 60 11.679 -6.704 -8.547 447 2HD ARG 60 2HD ARG 60 10.681 -8.025 -7.948 448 HE ARG 60 HE ARG 60 8.848 -7.086 -9.294 449 1HH1 ARG 60 1HH1 ARG 60 12.101 -6.046 -10.069 450 2HH1 ARG 60 2HH1 ARG 60 11.747 -5.770 -11.746 451 1HH2 ARG 60 1HH2 ARG 60 8.366 -6.676 -11.482 452 2HH2 ARG 60 2HH2 ARG 60 9.611 -6.099 -12.545 453 H LYS 61 H LYS 61 6.970 -8.390 -6.870 454 HA LYS 61 HA LYS 61 4.188 -8.142 -6.828 455 1HB LYS 61 1HB LYS 61 4.155 -10.375 -5.833 456 2HB LYS 61 2HB LYS 61 5.322 -10.282 -7.144 457 1HG LYS 61 1HG LYS 61 7.155 -10.186 -5.594 458 2HG LYS 61 2HG LYS 61 6.049 -10.050 -4.226 459 1HD LYS 61 1HD LYS 61 6.935 -12.324 -4.425 460 2HD LYS 61 2HD LYS 61 5.190 -12.296 -4.681 461 1HE LYS 61 1HE LYS 61 5.546 -12.378 -7.107 462 2HE LYS 61 2HE LYS 61 7.292 -12.394 -6.852 463 1HZ LYS 61 1HZ LYS 61 6.489 -14.613 -7.237 464 2HZ LYS 61 2HZ LYS 61 5.370 -14.485 -5.977 465 3HZ LYS 61 3HZ LYS 61 7.028 -14.491 -5.641 466 H SER 62 H SER 62 6.347 -7.019 -4.509 467 HA SER 62 HA SER 62 5.119 -7.490 -2.082 468 1HB SER 62 1HB SER 62 6.500 -4.951 -2.996 469 2HB SER 62 2HB SER 62 6.228 -5.433 -1.320 470 HG SER 62 HG SER 62 7.736 -6.959 -1.484 471 H PHE 63 H PHE 63 4.261 -5.151 -4.592 472 HA PHE 63 HA PHE 63 2.175 -3.954 -2.966 473 1HB PHE 63 1HB PHE 63 3.134 -3.515 -5.791 474 2HB PHE 63 2HB PHE 63 1.644 -2.778 -5.211 475 HD1 PHE 63 HD2 PHE 63 5.222 -3.146 -4.175 476 HD2 PHE 63 HD1 PHE 63 1.766 -0.656 -4.316 477 HE1 PHE 63 HE2 PHE 63 6.509 -1.299 -3.183 478 HE2 PHE 63 HE1 PHE 63 3.051 1.191 -3.322 479 HZ PHE 63 HZ PHE 63 5.427 0.869 -2.755 480 H ALA 64 H ALA 64 2.445 -6.729 -4.806 481 HA ALA 64 HA ALA 64 -0.372 -6.838 -5.566 482 1HB ALA 64 1HB ALA 64 0.217 -8.942 -6.665 483 2HB ALA 64 2HB ALA 64 1.847 -8.844 -5.996 484 3HB ALA 64 3HB ALA 64 1.301 -7.644 -7.167 485 H SER 65 H SER 65 1.480 -7.461 -2.880 486 HA SER 65 HA SER 65 -0.629 -8.984 -1.624 487 1HB SER 65 1HB SER 65 1.012 -10.747 -0.809 488 2HB SER 65 2HB SER 65 0.600 -10.841 -2.520 489 HG SER 65 HG SER 65 2.579 -9.536 -2.837 490 H ILE 66 H ILE 66 -0.937 -7.460 -0.075 491 HA ILE 66 HA ILE 66 1.087 -5.804 0.952 492 HB ILE 66 HB ILE 66 -1.636 -6.407 2.107 493 1HG1 ILE 66 1HG1 ILE 66 -0.654 -4.104 0.400 494 2HG1 ILE 66 2HG1 ILE 66 -1.676 -5.425 -0.154 495 1HG2 ILE 66 1HG2 ILE 66 -1.378 -4.318 3.383 496 2HG2 ILE 66 2HG2 ILE 66 0.280 -4.174 2.800 497 3HG2 ILE 66 3HG2 ILE 66 -0.174 -5.520 3.845 498 1HD1 ILE 66 1HD1 ILE 66 -2.409 -3.360 1.908 499 2HD1 ILE 66 2HD1 ILE 66 -3.435 -4.696 1.381 500 3HD1 ILE 66 3HD1 ILE 66 -2.979 -3.430 0.241 501 H LYS 67 H LYS 67 -0.389 -8.749 2.293 502 HA LYS 67 HA LYS 67 0.817 -8.730 4.787 503 1HB LYS 67 1HB LYS 67 0.516 -11.145 4.875 504 2HB LYS 67 2HB LYS 67 -0.906 -10.367 4.204 505 1HG LYS 67 1HG LYS 67 1.175 -11.482 2.365 506 2HG LYS 67 2HG LYS 67 0.025 -12.563 3.151 507 1HD LYS 67 1HD LYS 67 -1.831 -11.224 2.204 508 2HD LYS 67 2HD LYS 67 -0.648 -10.217 1.368 509 1HE LYS 67 1HE LYS 67 -1.624 -11.948 -0.092 510 2HE LYS 67 2HE LYS 67 0.123 -12.109 0.082 511 1HZ LYS 67 1HZ LYS 67 -0.153 -13.921 1.557 512 2HZ LYS 67 2HZ LYS 67 -1.146 -14.224 0.223 513 3HZ LYS 67 3HZ LYS 67 -1.824 -13.680 1.675 514 H ALA 68 H ALA 68 2.212 -9.428 1.683 515 HA ALA 68 HA ALA 68 4.596 -10.646 2.760 516 1HB ALA 68 1HB ALA 68 3.750 -11.306 0.560 517 2HB ALA 68 2HB ALA 68 5.387 -10.658 0.448 518 3HB ALA 68 3HB ALA 68 4.009 -9.666 -0.038 519 H ILE 69 H ILE 69 3.663 -7.481 1.465 520 HA ILE 69 HA ILE 69 6.325 -6.440 1.504 521 HB ILE 69 HB ILE 69 4.506 -5.593 -0.006 522 1HG1 ILE 69 1HG1 ILE 69 5.857 -3.483 1.705 523 2HG1 ILE 69 2HG1 ILE 69 6.624 -4.350 0.379 524 1HG2 ILE 69 1HG2 ILE 69 2.940 -3.930 0.819 525 2HG2 ILE 69 2HG2 ILE 69 3.555 -4.131 2.460 526 3HG2 ILE 69 3HG2 ILE 69 2.708 -5.458 1.666 527 1HD1 ILE 69 1HD1 ILE 69 5.939 -2.150 -0.335 528 2HD1 ILE 69 2HD1 ILE 69 4.278 -2.473 0.164 529 3HD1 ILE 69 3HD1 ILE 69 4.988 -3.376 -1.176 530 H GLU 70 H GLU 70 3.624 -6.367 3.777 531 HA GLU 70 HA GLU 70 4.634 -4.299 5.407 532 1HB GLU 70 1HB GLU 70 3.030 -5.052 7.106 533 2HB GLU 70 2HB GLU 70 2.290 -4.934 5.522 534 1HG GLU 70 1HG GLU 70 1.389 -6.890 6.292 535 2HG GLU 70 2HG GLU 70 2.780 -7.491 5.395 536 H ASP 71 H ASP 71 5.087 -7.782 5.429 537 HA ASP 71 HA ASP 71 6.594 -8.093 7.741 538 1HB ASP 71 1HB ASP 71 5.923 -10.034 6.512 539 2HB ASP 71 2HB ASP 71 6.743 -9.481 5.056 540 H THR 72 H THR 72 7.560 -6.990 4.538 541 HA THR 72 HA THR 72 10.356 -6.941 5.117 542 HB THR 72 HB THR 72 8.918 -5.503 2.872 543 HG1 THR 72 HG1 THR 72 9.432 -8.190 3.338 544 1HG2 THR 72 1HG2 THR 72 11.763 -6.512 3.123 545 2HG2 THR 72 2HG2 THR 72 11.261 -4.822 3.203 546 3HG2 THR 72 3HG2 THR 72 11.066 -5.731 1.704 547 H VAL 73 H VAL 73 7.776 -4.478 5.087 548 HA VAL 73 HA VAL 73 9.535 -2.275 5.413 549 HB VAL 73 HB VAL 73 7.190 -2.041 4.587 550 1HG1 VAL 73 1HG1 VAL 73 6.447 -2.385 7.490 551 2HG1 VAL 73 2HG1 VAL 73 6.066 -3.496 6.178 552 3HG1 VAL 73 3HG1 VAL 73 5.355 -1.884 6.195 553 1HG2 VAL 73 1HG2 VAL 73 8.469 -0.091 5.303 554 2HG2 VAL 73 2HG2 VAL 73 7.910 -0.316 6.961 555 3HG2 VAL 73 3HG2 VAL 73 6.760 0.106 5.692 556 H LYS 74 H LYS 74 7.982 -4.460 7.684 557 HA LYS 74 HA LYS 74 8.604 -3.113 10.079 558 1HB LYS 74 1HB LYS 74 8.496 -6.098 9.548 559 2HB LYS 74 2HB LYS 74 8.479 -5.351 11.141 560 1HG LYS 74 1HG LYS 74 6.334 -4.378 10.749 561 2HG LYS 74 2HG LYS 74 6.375 -4.840 9.047 562 1HD LYS 74 1HD LYS 74 4.947 -6.394 10.150 563 2HD LYS 74 2HD LYS 74 6.452 -7.244 9.801 564 1HE LYS 74 1HE LYS 74 5.764 -7.815 12.025 565 2HE LYS 74 2HE LYS 74 7.181 -6.772 12.145 566 1HZ LYS 74 1HZ LYS 74 4.367 -5.869 12.458 567 2HZ LYS 74 2HZ LYS 74 5.750 -4.914 12.648 568 3HZ LYS 74 3HZ LYS 74 5.438 -6.172 13.731 569 H LEU 75 H LEU 75 10.446 -5.291 8.021 570 HA LEU 75 HA LEU 75 12.744 -5.487 9.670 571 1HB LEU 75 1HB LEU 75 12.473 -5.844 6.677 572 2HB LEU 75 2HB LEU 75 13.864 -6.329 7.629 573 HG LEU 75 HG LEU 75 11.077 -7.469 7.930 574 1HD1 LEU 75 1HD1 LEU 75 12.081 -8.106 5.803 575 2HD1 LEU 75 2HD1 LEU 75 11.986 -9.485 6.898 576 3HD1 LEU 75 3HD1 LEU 75 13.530 -8.668 6.640 577 1HD2 LEU 75 1HD2 LEU 75 13.693 -8.287 9.206 578 2HD2 LEU 75 2HD2 LEU 75 12.164 -9.153 9.348 579 3HD2 LEU 75 3HD2 LEU 75 12.323 -7.533 10.021 580 H ILE 76 H ILE 76 11.724 -3.209 7.188 581 HA ILE 76 HA ILE 76 14.127 -1.799 6.842 582 HB ILE 76 HB ILE 76 11.288 -0.728 6.777 583 1HG1 ILE 76 1HG1 ILE 76 13.088 -1.667 4.518 584 2HG1 ILE 76 2HG1 ILE 76 11.705 -2.551 5.157 585 1HG2 ILE 76 1HG2 ILE 76 12.199 1.122 5.437 586 2HG2 ILE 76 2HG2 ILE 76 13.829 0.495 5.685 587 3HG2 ILE 76 3HG2 ILE 76 12.895 1.087 7.059 588 1HD1 ILE 76 1HD1 ILE 76 11.123 -1.442 3.093 589 2HD1 ILE 76 2HD1 ILE 76 11.627 0.113 3.755 590 3HD1 ILE 76 3HD1 ILE 76 10.230 -0.723 4.434 591 H LEU 77 H LEU 77 11.493 -1.396 9.186 592 HA LEU 77 HA LEU 77 12.650 0.820 10.530 593 1HB LEU 77 1HB LEU 77 10.565 -1.162 11.443 594 2HB LEU 77 2HB LEU 77 11.001 0.291 12.325 595 HG LEU 77 HG LEU 77 9.721 0.167 9.588 596 1HD1 LEU 77 1HD1 LEU 77 8.183 -0.320 11.399 597 2HD1 LEU 77 2HD1 LEU 77 7.840 1.267 10.706 598 3HD1 LEU 77 3HD1 LEU 77 8.688 1.142 12.249 599 1HD2 LEU 77 1HD2 LEU 77 11.299 2.025 9.686 600 2HD2 LEU 77 2HD2 LEU 77 10.577 2.580 11.197 601 3HD2 LEU 77 3HD2 LEU 77 9.638 2.617 9.704 602 H ASP 78 H ASP 78 12.906 -2.661 10.944 603 HA ASP 78 HA ASP 78 14.363 -2.554 13.394 604 1HB ASP 78 1HB ASP 78 13.248 -4.619 12.615 605 2HB ASP 78 2HB ASP 78 14.361 -4.708 11.255 606 H GLY 79 H GLY 79 15.130 -1.962 10.110 607 1HA GLY 79 1HA GLY 79 18.010 -2.249 10.467 608 2HA GLY 79 2HA GLY 79 17.175 -1.815 8.986 609 H LYS 80 H LYS 80 15.966 0.054 11.486 610 HA LYS 80 HA LYS 80 17.348 2.423 10.614 611 1HB LYS 80 1HB LYS 80 15.600 2.083 13.071 612 2HB LYS 80 2HB LYS 80 16.032 3.599 12.294 613 1HG LYS 80 1HG LYS 80 14.405 1.442 10.961 614 2HG LYS 80 2HG LYS 80 13.700 2.780 11.864 615 1HD LYS 80 1HD LYS 80 15.528 3.127 9.484 616 2HD LYS 80 2HD LYS 80 13.769 3.090 9.375 617 1HE LYS 80 1HE LYS 80 13.764 5.007 11.047 618 2HE LYS 80 2HE LYS 80 15.503 5.119 10.776 619 1HZ LYS 80 1HZ LYS 80 14.443 6.663 9.344 620 2HZ LYS 80 2HZ LYS 80 13.341 5.512 8.782 621 3HZ LYS 80 3HZ LYS 80 14.979 5.390 8.366 622 H GLU 81 H GLU 81 17.215 0.559 13.628 623 HA GLU 81 HA GLU 81 18.648 0.254 15.352 624 1HB GLU 81 1HB GLU 81 20.072 -0.549 13.429 625 2HB GLU 81 2HB GLU 81 20.829 1.038 13.405 626 1HG GLU 81 1HG GLU 81 21.676 0.707 15.656 627 2HG GLU 81 2HG GLU 81 20.837 -0.839 15.768 628 H ALA 82 H ALA 82 17.458 2.855 14.959 629 HA ALA 82 HA ALA 82 19.372 4.833 15.786 630 1HB ALA 82 1HB ALA 82 16.348 4.932 15.830 631 2HB ALA 82 2HB ALA 82 17.381 5.481 14.512 632 3HB ALA 82 3HB ALA 82 17.431 6.304 16.071 633 H ALA 83 H ALA 83 20.224 3.460 17.534 634 HA ALA 83 HA ALA 83 18.560 2.946 19.835 635 1HB ALA 83 1HB ALA 83 20.299 1.353 19.165 636 2HB ALA 83 2HB ALA 83 20.570 1.950 20.802 637 3HB ALA 83 3HB ALA 83 21.538 2.572 19.464 Start of MODEL 6 1 HA MET 1 HA MET 1 1.965 0.689 9.398 2 1HB MET 1 1HB MET 1 3.324 -1.646 10.739 3 2HB MET 1 2HB MET 1 3.723 -1.174 9.094 4 1HG MET 1 1HG MET 1 4.502 0.959 9.803 5 2HG MET 1 2HG MET 1 3.873 0.710 11.428 6 1HE MET 1 1HE MET 1 6.542 -0.454 8.782 7 2HE MET 1 2HE MET 1 5.735 -1.959 9.220 8 3HE MET 1 3HE MET 1 7.411 -1.691 9.688 9 H ASN 2 H ASN 2 1.372 -2.787 10.131 10 HA ASN 2 HA ASN 2 1.057 -3.555 7.478 11 1HB ASN 2 1HB ASN 2 -0.034 -5.592 8.318 12 2HB ASN 2 2HB ASN 2 1.388 -5.186 9.268 13 1HD2 ASN 2 1HD2 ASN 2 -0.914 -6.832 9.950 14 2HD2 ASN 2 2HD2 ASN 2 -1.599 -6.137 11.380 15 H ALA 3 H ALA 3 -1.487 -2.634 9.788 16 HA ALA 3 HA ALA 3 -3.576 -2.845 7.815 17 1HB ALA 3 1HB ALA 3 -4.043 -3.254 10.188 18 2HB ALA 3 2HB ALA 3 -5.032 -1.936 9.560 19 3HB ALA 3 3HB ALA 3 -3.623 -1.582 10.562 20 H THR 4 H THR 4 -1.633 -0.309 9.251 21 HA THR 4 HA THR 4 -2.870 1.993 8.359 22 HB THR 4 HB THR 4 0.126 1.552 8.387 23 HG1 THR 4 HG1 THR 4 -1.494 2.296 10.612 24 1HG2 THR 4 1HG2 THR 4 -1.544 4.006 8.968 25 2HG2 THR 4 2HG2 THR 4 -0.588 3.724 7.512 26 3HG2 THR 4 3HG2 THR 4 0.214 3.903 9.074 27 H ILE 5 H ILE 5 -0.564 -0.071 6.687 28 HA ILE 5 HA ILE 5 -0.133 1.524 4.422 29 HB ILE 5 HB ILE 5 0.198 -1.453 4.833 30 1HG1 ILE 5 1HG1 ILE 5 2.350 0.671 4.727 31 2HG1 ILE 5 2HG1 ILE 5 1.531 0.260 6.228 32 1HG2 ILE 5 1HG2 ILE 5 1.657 -1.429 2.856 33 2HG2 ILE 5 2HG2 ILE 5 1.229 0.258 2.566 34 3HG2 ILE 5 3HG2 ILE 5 -0.003 -0.998 2.448 35 1HD1 ILE 5 1HD1 ILE 5 2.309 -2.060 5.988 36 2HD1 ILE 5 2HD1 ILE 5 3.629 -0.895 6.089 37 3HD1 ILE 5 3HD1 ILE 5 3.188 -1.594 4.529 38 H ARG 6 H ARG 6 -2.350 -1.235 4.916 39 HA ARG 6 HA ARG 6 -3.402 -1.066 2.257 40 1HB ARG 6 1HB ARG 6 -5.015 -2.736 2.949 41 2HB ARG 6 2HB ARG 6 -3.429 -3.173 3.568 42 1HG ARG 6 1HG ARG 6 -4.060 -2.299 5.777 43 2HG ARG 6 2HG ARG 6 -5.663 -1.904 5.150 44 1HD ARG 6 1HD ARG 6 -6.006 -4.301 4.622 45 2HD ARG 6 2HD ARG 6 -4.436 -4.660 5.346 46 HE ARG 6 HE ARG 6 -6.190 -3.239 7.119 47 1HH1 ARG 6 1HH1 ARG 6 -5.374 -6.434 5.908 48 2HH1 ARG 6 2HH1 ARG 6 -6.011 -7.253 7.295 49 1HH2 ARG 6 1HH2 ARG 6 -7.036 -4.332 8.938 50 2HH2 ARG 6 2HH2 ARG 6 -6.964 -6.066 9.002 51 H GLU 7 H GLU 7 -4.102 0.437 5.294 52 HA GLU 7 HA GLU 7 -6.783 1.217 4.749 53 1HB GLU 7 1HB GLU 7 -6.032 1.105 7.035 54 2HB GLU 7 2HB GLU 7 -4.747 2.266 6.723 55 1HG GLU 7 1HG GLU 7 -6.487 3.970 6.220 56 2HG GLU 7 2HG GLU 7 -7.714 2.803 6.711 57 H ILE 8 H ILE 8 -3.637 2.778 4.232 58 HA ILE 8 HA ILE 8 -4.552 5.396 3.954 59 HB ILE 8 HB ILE 8 -2.138 4.753 4.133 60 1HG1 ILE 8 1HG1 ILE 8 -2.887 6.589 1.844 61 2HG1 ILE 8 2HG1 ILE 8 -2.878 7.030 3.547 62 1HG2 ILE 8 1HG2 ILE 8 -2.409 4.167 1.181 63 2HG2 ILE 8 2HG2 ILE 8 -2.082 2.985 2.448 64 3HG2 ILE 8 3HG2 ILE 8 -0.895 4.239 2.085 65 1HD1 ILE 8 1HD1 ILE 8 -0.488 6.245 1.903 66 2HD1 ILE 8 2HD1 ILE 8 -0.466 6.668 3.616 67 3HD1 ILE 8 3HD1 ILE 8 -0.923 7.875 2.415 68 H LEU 9 H LEU 9 -4.556 2.763 1.654 69 HA LEU 9 HA LEU 9 -4.958 4.148 -0.730 70 1HB LEU 9 1HB LEU 9 -5.845 1.427 0.200 71 2HB LEU 9 2HB LEU 9 -6.301 2.024 -1.382 72 HG LEU 9 HG LEU 9 -4.369 0.563 -1.547 73 1HD1 LEU 9 1HD1 LEU 9 -2.857 2.033 -2.774 74 2HD1 LEU 9 2HD1 LEU 9 -3.623 3.444 -2.048 75 3HD1 LEU 9 3HD1 LEU 9 -4.542 2.404 -3.137 76 1HD2 LEU 9 1HD2 LEU 9 -2.950 2.529 0.252 77 2HD2 LEU 9 2HD2 LEU 9 -2.225 1.129 -0.542 78 3HD2 LEU 9 3HD2 LEU 9 -3.455 0.897 0.700 79 H ALA 10 H ALA 10 -7.190 3.455 1.870 80 HA ALA 10 HA ALA 10 -9.606 3.869 0.480 81 1HB ALA 10 1HB ALA 10 -10.627 4.114 2.681 82 2HB ALA 10 2HB ALA 10 -9.032 4.293 3.414 83 3HB ALA 10 3HB ALA 10 -9.491 2.765 2.662 84 H LYS 11 H LYS 11 -7.308 6.103 1.865 85 HA LYS 11 HA LYS 11 -9.145 8.328 1.277 86 1HB LYS 11 1HB LYS 11 -7.413 9.596 2.827 87 2HB LYS 11 2HB LYS 11 -8.753 8.678 3.495 88 1HG LYS 11 1HG LYS 11 -7.278 6.800 3.956 89 2HG LYS 11 2HG LYS 11 -5.923 7.661 3.220 90 1HD LYS 11 1HD LYS 11 -5.957 9.335 4.941 91 2HD LYS 11 2HD LYS 11 -7.476 8.717 5.589 92 1HE LYS 11 1HE LYS 11 -4.948 7.076 5.521 93 2HE LYS 11 2HE LYS 11 -5.370 8.121 6.876 94 1HZ LYS 11 1HZ LYS 11 -7.379 6.869 7.210 95 2HZ LYS 11 2HZ LYS 11 -6.063 5.810 7.219 96 3HZ LYS 11 3HZ LYS 11 -7.069 5.905 5.860 97 H PHE 12 H PHE 12 -5.606 7.727 1.323 98 HA PHE 12 HA PHE 12 -5.171 9.889 -0.541 99 1HB PHE 12 1HB PHE 12 -3.334 7.861 0.729 100 2HB PHE 12 2HB PHE 12 -2.766 9.018 -0.464 101 HD1 PHE 12 HD1 PHE 12 -4.331 8.721 2.888 102 HD2 PHE 12 HD2 PHE 12 -2.250 11.233 0.146 103 HE1 PHE 12 HE1 PHE 12 -4.008 10.391 4.664 104 HE2 PHE 12 HE2 PHE 12 -1.927 12.906 1.919 105 HZ PHE 12 HZ PHE 12 -2.806 12.487 4.182 106 H GLY 13 H GLY 13 -5.672 6.477 -0.752 107 1HA GLY 13 1HA GLY 13 -4.394 6.108 -3.297 108 2HA GLY 13 2HA GLY 13 -5.472 4.976 -2.495 109 H GLN 14 H GLN 14 -5.148 6.807 -5.186 110 HA GLN 14 HA GLN 14 -7.924 7.579 -5.489 111 1HB GLN 14 1HB GLN 14 -6.055 8.911 -6.476 112 2HB GLN 14 2HB GLN 14 -5.712 7.568 -7.558 113 1HG GLN 14 1HG GLN 14 -7.983 7.790 -8.507 114 2HG GLN 14 2HG GLN 14 -8.250 9.193 -7.470 115 1HE2 GLN 14 1HE2 GLN 14 -8.547 10.556 -9.216 116 2HE2 GLN 14 2HE2 GLN 14 -7.236 11.077 -10.213 117 H LEU 15 H LEU 15 -8.415 5.238 -4.957 118 HA LEU 15 HA LEU 15 -8.296 3.450 -7.273 119 1HB LEU 15 1HB LEU 15 -7.748 2.725 -4.882 120 2HB LEU 15 2HB LEU 15 -9.459 2.885 -4.536 121 HG LEU 15 HG LEU 15 -9.918 1.164 -6.303 122 1HD1 LEU 15 1HD1 LEU 15 -7.887 1.447 -7.620 123 2HD1 LEU 15 2HD1 LEU 15 -8.069 -0.224 -7.091 124 3HD1 LEU 15 3HD1 LEU 15 -6.918 0.838 -6.279 125 1HD2 LEU 15 1HD2 LEU 15 -9.187 -0.751 -4.960 126 2HD2 LEU 15 2HD2 LEU 15 -9.842 0.535 -3.947 127 3HD2 LEU 15 3HD2 LEU 15 -8.097 0.298 -4.052 128 HA PRO 16 HA PRO 16 -12.444 4.744 -8.344 129 1HB PRO 16 1HB PRO 16 -12.974 2.899 -10.257 130 2HB PRO 16 2HB PRO 16 -11.851 4.238 -10.525 131 1HG PRO 16 1HG PRO 16 -11.279 1.375 -9.881 132 2HG PRO 16 2HG PRO 16 -10.440 2.461 -11.003 133 1HD PRO 16 1HD PRO 16 -9.541 1.859 -8.478 134 2HD PRO 16 2HD PRO 16 -9.136 3.358 -9.342 135 H THR 17 H THR 17 -11.563 1.722 -7.090 136 HA THR 17 HA THR 17 -14.331 0.928 -6.547 137 HB THR 17 HB THR 17 -11.735 -0.578 -6.803 138 HG1 THR 17 HG1 THR 17 -12.574 -1.144 -8.646 139 1HG2 THR 17 1HG2 THR 17 -12.824 -1.463 -4.823 140 2HG2 THR 17 2HG2 THR 17 -12.895 -2.626 -6.146 141 3HG2 THR 17 3HG2 THR 17 -14.324 -1.682 -5.725 142 HA PRO 18 HA PRO 18 -13.626 2.076 -2.299 143 1HB PRO 18 1HB PRO 18 -15.325 0.279 -1.073 144 2HB PRO 18 2HB PRO 18 -15.843 1.796 -1.814 145 1HG PRO 18 1HG PRO 18 -15.931 -0.982 -2.922 146 2HG PRO 18 2HG PRO 18 -17.130 0.318 -3.057 147 1HD PRO 18 1HD PRO 18 -15.452 -0.300 -5.079 148 2HD PRO 18 2HD PRO 18 -15.977 1.367 -4.780 149 H VAL 19 H VAL 19 -11.830 1.569 -1.237 150 HA VAL 19 HA VAL 19 -10.427 -0.844 -1.462 151 HB VAL 19 HB VAL 19 -10.203 1.239 0.732 152 1HG1 VAL 19 1HG1 VAL 19 -8.199 -0.831 -0.191 153 2HG1 VAL 19 2HG1 VAL 19 -9.072 -0.841 1.341 154 3HG1 VAL 19 3HG1 VAL 19 -7.900 0.432 1.006 155 1HG2 VAL 19 1HG2 VAL 19 -8.412 2.198 -0.658 156 2HG2 VAL 19 2HG2 VAL 19 -9.971 2.229 -1.481 157 3HG2 VAL 19 3HG2 VAL 19 -8.768 1.017 -1.920 158 H ASP 20 H ASP 20 -13.020 0.068 0.581 159 HA ASP 20 HA ASP 20 -12.721 -1.640 2.761 160 1HB ASP 20 1HB ASP 20 -14.394 0.123 2.719 161 2HB ASP 20 2HB ASP 20 -15.238 -0.661 1.390 162 H THR 21 H THR 21 -13.636 -2.361 -0.527 163 HA THR 21 HA THR 21 -14.799 -4.930 0.179 164 HB THR 21 HB THR 21 -15.675 -3.464 -1.718 165 HG1 THR 21 HG1 THR 21 -15.739 -5.525 -3.135 166 1HG2 THR 21 1HG2 THR 21 -13.507 -2.948 -2.773 167 2HG2 THR 21 2HG2 THR 21 -14.618 -3.718 -3.904 168 3HG2 THR 21 3HG2 THR 21 -13.308 -4.653 -3.180 169 H ILE 22 H ILE 22 -11.730 -3.675 -0.844 170 HA ILE 22 HA ILE 22 -10.750 -6.360 -1.504 171 HB ILE 22 HB ILE 22 -8.655 -5.271 -2.212 172 1HG1 ILE 22 1HG1 ILE 22 -10.064 -2.659 -1.578 173 2HG1 ILE 22 2HG1 ILE 22 -8.734 -3.343 -0.650 174 1HG2 ILE 22 1HG2 ILE 22 -9.519 -4.143 -4.211 175 2HG2 ILE 22 2HG2 ILE 22 -11.112 -4.027 -3.459 176 3HG2 ILE 22 3HG2 ILE 22 -10.436 -5.608 -3.849 177 1HD1 ILE 22 1HD1 ILE 22 -8.611 -2.435 -3.519 178 2HD1 ILE 22 2HD1 ILE 22 -7.275 -3.133 -2.602 179 3HD1 ILE 22 3HD1 ILE 22 -7.959 -1.582 -2.120 180 H ALA 23 H ALA 23 -8.201 -6.371 -0.688 181 HA ALA 23 HA ALA 23 -7.887 -5.562 2.037 182 1HB ALA 23 1HB ALA 23 -9.443 -7.424 2.384 183 2HB ALA 23 2HB ALA 23 -7.846 -7.814 3.026 184 3HB ALA 23 3HB ALA 23 -8.371 -8.500 1.488 185 H ASP 24 H ASP 24 -5.890 -6.751 2.970 186 HA ASP 24 HA ASP 24 -3.719 -6.324 1.200 187 1HB ASP 24 1HB ASP 24 -2.323 -7.164 3.059 188 2HB ASP 24 2HB ASP 24 -3.496 -5.972 3.607 189 H GLU 25 H GLU 25 -5.617 -9.095 2.015 190 HA GLU 25 HA GLU 25 -3.821 -11.030 0.831 191 1HB GLU 25 1HB GLU 25 -6.659 -11.194 1.856 192 2HB GLU 25 2HB GLU 25 -5.843 -12.560 1.112 193 1HG GLU 25 1HG GLU 25 -4.847 -11.113 3.559 194 2HG GLU 25 2HG GLU 25 -5.816 -12.585 3.591 195 H ALA 26 H ALA 26 -6.024 -8.779 -0.353 196 HA ALA 26 HA ALA 26 -6.786 -10.420 -2.669 197 1HB ALA 26 1HB ALA 26 -7.908 -7.774 -1.740 198 2HB ALA 26 2HB ALA 26 -8.630 -9.356 -1.453 199 3HB ALA 26 3HB ALA 26 -8.500 -8.731 -3.097 200 H ASP 27 H ASP 27 -6.583 -9.566 -4.790 201 HA ASP 27 HA ASP 27 -4.144 -8.121 -5.219 202 1HB ASP 27 1HB ASP 27 -6.260 -8.993 -7.209 203 2HB ASP 27 2HB ASP 27 -4.643 -8.424 -7.614 204 H LEU 28 H LEU 28 -4.260 -6.014 -4.598 205 HA LEU 28 HA LEU 28 -6.460 -4.326 -4.742 206 1HB LEU 28 1HB LEU 28 -3.513 -3.683 -4.795 207 2HB LEU 28 2HB LEU 28 -4.748 -2.443 -4.741 208 HG LEU 28 HG LEU 28 -5.566 -3.509 -2.586 209 1HD1 LEU 28 1HD1 LEU 28 -2.923 -4.950 -2.777 210 2HD1 LEU 28 2HD1 LEU 28 -4.525 -5.686 -2.801 211 3HD1 LEU 28 3HD1 LEU 28 -3.952 -4.876 -1.346 212 1HD2 LEU 28 1HD2 LEU 28 -3.862 -2.410 -1.237 213 2HD2 LEU 28 2HD2 LEU 28 -4.271 -1.437 -2.648 214 3HD2 LEU 28 3HD2 LEU 28 -2.772 -2.367 -2.623 215 H TYR 29 H TYR 29 -3.981 -4.974 -7.177 216 HA TYR 29 HA TYR 29 -4.736 -2.909 -8.943 217 1HB TYR 29 1HB TYR 29 -3.435 -4.137 -10.654 218 2HB TYR 29 2HB TYR 29 -2.554 -3.910 -9.153 219 HD1 TYR 29 HD2 TYR 29 -2.018 -5.819 -7.719 220 HD2 TYR 29 HD1 TYR 29 -4.087 -6.360 -11.402 221 HE1 TYR 29 HE2 TYR 29 -1.511 -8.222 -7.650 222 HE2 TYR 29 HE1 TYR 29 -3.580 -8.762 -11.342 223 HH TYR 29 HH TYR 29 -2.413 -10.323 -8.572 224 H ALA 30 H ALA 30 -6.048 -6.064 -8.356 225 HA ALA 30 HA ALA 30 -7.491 -6.342 -10.790 226 1HB ALA 30 1HB ALA 30 -8.741 -8.091 -9.640 227 2HB ALA 30 2HB ALA 30 -8.078 -7.568 -8.091 228 3HB ALA 30 3HB ALA 30 -7.014 -8.249 -9.322 229 H ALA 31 H ALA 31 -8.034 -4.578 -7.856 230 HA ALA 31 HA ALA 31 -10.825 -4.042 -8.334 231 1HB ALA 31 1HB ALA 31 -8.853 -2.641 -6.517 232 2HB ALA 31 2HB ALA 31 -9.896 -3.989 -6.065 233 3HB ALA 31 3HB ALA 31 -10.606 -2.435 -6.498 234 H GLY 32 H GLY 32 -7.794 -2.735 -9.303 235 1HA GLY 32 1HA GLY 32 -7.900 -1.475 -11.442 236 2HA GLY 32 2HA GLY 32 -9.174 -0.516 -10.703 237 H LEU 33 H LEU 33 -6.020 -1.602 -9.464 238 HA LEU 33 HA LEU 33 -5.495 1.029 -8.392 239 1HB LEU 33 1HB LEU 33 -4.904 -1.048 -7.161 240 2HB LEU 33 2HB LEU 33 -3.743 -1.438 -8.415 241 HG LEU 33 HG LEU 33 -2.481 0.634 -7.845 242 1HD1 LEU 33 1HD1 LEU 33 -4.314 1.935 -6.899 243 2HD1 LEU 33 2HD1 LEU 33 -2.980 1.800 -5.757 244 3HD1 LEU 33 3HD1 LEU 33 -4.426 0.814 -5.540 245 1HD2 LEU 33 1HD2 LEU 33 -1.529 -0.220 -5.753 246 2HD2 LEU 33 2HD2 LEU 33 -1.811 -1.519 -6.910 247 3HD2 LEU 33 3HD2 LEU 33 -2.917 -1.291 -5.554 248 H SER 34 H SER 34 -4.487 2.590 -9.441 249 HA SER 34 HA SER 34 -2.867 1.939 -11.813 250 1HB SER 34 1HB SER 34 -4.824 3.377 -12.260 251 2HB SER 34 2HB SER 34 -4.249 4.540 -11.064 252 HG SER 34 HG SER 34 -3.398 4.080 -13.653 253 H SER 35 H SER 35 -1.088 3.589 -12.216 254 HA SER 35 HA SER 35 0.832 3.477 -10.211 255 1HB SER 35 1HB SER 35 0.702 5.513 -12.456 256 2HB SER 35 2HB SER 35 2.146 4.981 -11.599 257 HG SER 35 HG SER 35 1.556 3.989 -13.747 258 H PHE 36 H PHE 36 -1.419 6.084 -11.030 259 HA PHE 36 HA PHE 36 -0.308 8.087 -9.409 260 1HB PHE 36 1HB PHE 36 -3.189 7.705 -10.271 261 2HB PHE 36 2HB PHE 36 -2.532 9.185 -9.582 262 HD1 PHE 36 HD1 PHE 36 -2.639 7.029 -12.544 263 HD2 PHE 36 HD2 PHE 36 -1.063 10.623 -10.876 264 HE1 PHE 36 HE1 PHE 36 -1.977 7.780 -14.791 265 HE2 PHE 36 HE2 PHE 36 -0.402 11.376 -13.123 266 HZ PHE 36 HZ PHE 36 -0.859 9.956 -15.083 267 H ALA 37 H ALA 37 -2.696 5.588 -8.706 268 HA ALA 37 HA ALA 37 -3.304 6.580 -6.083 269 1HB ALA 37 1HB ALA 37 -3.894 3.872 -7.286 270 2HB ALA 37 2HB ALA 37 -4.932 5.294 -7.409 271 3HB ALA 37 3HB ALA 37 -4.630 4.558 -5.834 272 H SER 38 H SER 38 -1.190 4.078 -7.408 273 HA SER 38 HA SER 38 -0.577 2.889 -4.893 274 1HB SER 38 1HB SER 38 1.288 1.783 -6.237 275 2HB SER 38 2HB SER 38 -0.354 1.511 -6.821 276 HG SER 38 HG SER 38 0.203 2.417 -8.619 277 H VAL 39 H VAL 39 1.277 5.046 -7.048 278 HA VAL 39 HA VAL 39 3.546 5.291 -5.444 279 HB VAL 39 HB VAL 39 2.364 7.332 -7.348 280 1HG1 VAL 39 1HG1 VAL 39 3.934 8.412 -5.835 281 2HG1 VAL 39 2HG1 VAL 39 4.635 8.281 -7.448 282 3HG1 VAL 39 3HG1 VAL 39 5.145 7.173 -6.172 283 1HG2 VAL 39 1HG2 VAL 39 2.866 5.197 -8.426 284 2HG2 VAL 39 2HG2 VAL 39 4.501 5.231 -7.768 285 3HG2 VAL 39 3HG2 VAL 39 4.002 6.438 -8.953 286 H GLN 40 H GLN 40 0.545 7.186 -5.435 287 HA GLN 40 HA GLN 40 1.398 9.108 -3.552 288 1HB GLN 40 1HB GLN 40 -0.512 9.562 -4.970 289 2HB GLN 40 2HB GLN 40 -1.383 8.184 -4.312 290 1HG GLN 40 1HG GLN 40 -2.277 10.205 -3.380 291 2HG GLN 40 2HG GLN 40 -1.451 9.301 -2.115 292 1HE2 GLN 40 1HE2 GLN 40 -2.129 12.119 -2.214 293 2HE2 GLN 40 2HE2 GLN 40 -0.642 12.983 -2.050 294 H LEU 41 H LEU 41 -0.048 5.915 -3.189 295 HA LEU 41 HA LEU 41 -0.790 6.137 -0.490 296 1HB LEU 41 1HB LEU 41 -1.315 3.927 -0.593 297 2HB LEU 41 2HB LEU 41 -1.143 4.209 -2.309 298 HG LEU 41 HG LEU 41 1.343 3.406 -1.890 299 1HD1 LEU 41 1HD1 LEU 41 1.174 3.266 0.546 300 2HD1 LEU 41 2HD1 LEU 41 1.506 1.687 -0.163 301 3HD1 LEU 41 3HD1 LEU 41 -0.122 2.078 0.394 302 1HD2 LEU 41 1HD2 LEU 41 0.665 1.118 -2.414 303 2HD2 LEU 41 2HD2 LEU 41 -0.265 2.289 -3.347 304 3HD2 LEU 41 3HD2 LEU 41 -0.996 1.496 -1.951 305 H MET 42 H MET 42 2.294 5.587 -2.033 306 HA MET 42 HA MET 42 3.680 4.760 0.339 307 1HB MET 42 1HB MET 42 4.967 5.982 -2.108 308 2HB MET 42 2HB MET 42 5.655 4.819 -0.982 309 1HG MET 42 1HG MET 42 4.015 3.142 -1.812 310 2HG MET 42 2HG MET 42 3.499 4.320 -3.020 311 1HE MET 42 1HE MET 42 6.905 4.795 -5.016 312 2HE MET 42 2HE MET 42 6.371 5.710 -3.605 313 3HE MET 42 3HE MET 42 5.229 5.328 -4.894 314 H LEU 43 H LEU 43 3.430 7.711 -1.568 315 HA LEU 43 HA LEU 43 5.187 9.352 -0.207 316 1HB LEU 43 1HB LEU 43 3.565 9.633 -2.354 317 2HB LEU 43 2HB LEU 43 2.660 10.579 -1.192 318 HG LEU 43 HG LEU 43 4.122 11.995 -2.544 319 1HD1 LEU 43 1HD1 LEU 43 5.279 13.193 -0.758 320 2HD1 LEU 43 2HD1 LEU 43 5.060 11.813 0.318 321 3HD1 LEU 43 3HD1 LEU 43 3.657 12.710 -0.264 322 1HD2 LEU 43 1HD2 LEU 43 6.398 10.394 -1.371 323 2HD2 LEU 43 2HD2 LEU 43 6.550 11.817 -2.401 324 3HD2 LEU 43 3HD2 LEU 43 5.847 10.335 -3.045 325 H GLY 44 H GLY 44 1.753 8.740 0.431 326 1HA GLY 44 1HA GLY 44 1.653 10.522 2.697 327 2HA GLY 44 2HA GLY 44 0.396 9.406 2.183 328 H ILE 45 H ILE 45 2.099 7.064 2.208 329 HA ILE 45 HA ILE 45 1.668 6.271 4.877 330 HB ILE 45 HB ILE 45 2.605 5.016 2.415 331 1HG1 ILE 45 1HG1 ILE 45 0.404 4.610 3.375 332 2HG1 ILE 45 2HG1 ILE 45 1.313 3.104 3.306 333 1HG2 ILE 45 1HG2 ILE 45 4.668 4.616 3.581 334 2HG2 ILE 45 2HG2 ILE 45 3.762 3.106 3.459 335 3HG2 ILE 45 3HG2 ILE 45 3.796 3.994 4.982 336 1HD1 ILE 45 1HD1 ILE 45 0.070 3.293 5.376 337 2HD1 ILE 45 2HD1 ILE 45 0.891 4.807 5.753 338 3HD1 ILE 45 3HD1 ILE 45 1.806 3.300 5.693 339 H GLU 46 H GLU 46 4.442 7.644 3.277 340 HA GLU 46 HA GLU 46 6.469 6.966 5.071 341 1HB GLU 46 1HB GLU 46 6.985 8.102 2.997 342 2HB GLU 46 2HB GLU 46 6.049 9.509 3.482 343 1HG GLU 46 1HG GLU 46 7.637 9.985 5.260 344 2HG GLU 46 2HG GLU 46 8.561 8.544 4.843 345 H GLU 47 H GLU 47 4.452 9.915 5.074 346 HA GLU 47 HA GLU 47 5.385 10.795 7.601 347 1HB GLU 47 1HB GLU 47 3.468 12.390 7.513 348 2HB GLU 47 2HB GLU 47 4.479 12.417 6.075 349 1HG GLU 47 1HG GLU 47 2.839 11.091 4.866 350 2HG GLU 47 2HG GLU 47 1.835 10.985 6.311 351 H ALA 48 H ALA 48 2.865 8.652 6.576 352 HA ALA 48 HA ALA 48 1.118 8.737 8.721 353 1HB ALA 48 1HB ALA 48 1.829 6.306 7.081 354 2HB ALA 48 2HB ALA 48 0.665 7.547 6.622 355 3HB ALA 48 3HB ALA 48 0.362 6.536 8.035 356 H PHE 49 H PHE 49 4.005 6.585 8.358 357 HA PHE 49 HA PHE 49 3.860 6.293 11.286 358 1HB PHE 49 1HB PHE 49 4.486 3.954 11.190 359 2HB PHE 49 2HB PHE 49 2.996 4.238 10.309 360 HD1 PHE 49 HD1 PHE 49 6.600 3.500 9.950 361 HD2 PHE 49 HD2 PHE 49 2.821 3.726 7.993 362 HE1 PHE 49 HE1 PHE 49 7.531 2.295 8.020 363 HE2 PHE 49 HE2 PHE 49 3.754 2.524 6.060 364 HZ PHE 49 HZ PHE 49 6.110 1.808 6.071 365 H ASP 50 H ASP 50 6.033 6.507 8.486 366 HA ASP 50 HA ASP 50 8.146 7.533 10.010 367 1HB ASP 50 1HB ASP 50 8.112 5.152 10.904 368 2HB ASP 50 2HB ASP 50 8.648 4.632 9.310 369 H ILE 51 H ILE 51 8.263 5.034 7.443 370 HA ILE 51 HA ILE 51 9.205 7.079 5.556 371 HB ILE 51 HB ILE 51 11.002 5.757 4.708 372 1HG1 ILE 51 1HG1 ILE 51 10.089 3.505 4.944 373 2HG1 ILE 51 2HG1 ILE 51 11.689 3.588 5.660 374 1HG2 ILE 51 1HG2 ILE 51 11.172 5.863 7.713 375 2HG2 ILE 51 2HG2 ILE 51 11.580 7.155 6.585 376 3HG2 ILE 51 3HG2 ILE 51 12.543 5.677 6.618 377 1HD1 ILE 51 1HD1 ILE 51 10.588 3.797 7.899 378 2HD1 ILE 51 2HD1 ILE 51 10.327 2.262 7.073 379 3HD1 ILE 51 3HD1 ILE 51 9.049 3.473 7.096 380 H GLU 52 H GLU 52 9.277 6.191 3.272 381 HA GLU 52 HA GLU 52 6.965 4.427 2.858 382 1HB GLU 52 1HB GLU 52 7.179 5.395 0.425 383 2HB GLU 52 2HB GLU 52 6.377 6.305 1.690 384 1HG GLU 52 1HG GLU 52 7.728 7.800 0.448 385 2HG GLU 52 2HG GLU 52 8.473 7.588 2.030 386 H PHE 53 H PHE 53 7.105 3.182 0.734 387 HA PHE 53 HA PHE 53 9.104 1.241 1.162 388 1HB PHE 53 1HB PHE 53 7.266 1.518 -1.228 389 2HB PHE 53 2HB PHE 53 8.086 0.054 -0.694 390 HD1 PHE 53 HD1 PHE 53 7.586 -0.592 1.843 391 HD2 PHE 53 HD2 PHE 53 5.049 1.770 -0.635 392 HE1 PHE 53 HE1 PHE 53 5.669 -1.148 3.281 393 HE2 PHE 53 HE2 PHE 53 3.128 1.213 0.801 394 HZ PHE 53 HZ PHE 53 3.439 -0.246 2.761 395 HA PRO 54 HA PRO 54 12.323 3.096 -1.274 396 1HB PRO 54 1HB PRO 54 14.119 1.088 -1.136 397 2HB PRO 54 2HB PRO 54 13.708 2.066 0.283 398 1HG PRO 54 1HG PRO 54 12.640 -0.629 -0.519 399 2HG PRO 54 2HG PRO 54 13.266 -0.108 1.058 400 1HD PRO 54 1HD PRO 54 10.621 -0.177 0.535 401 2HD PRO 54 2HD PRO 54 11.336 1.069 1.580 402 H ASP 55 H ASP 55 13.241 2.944 -3.351 403 HA ASP 55 HA ASP 55 11.536 1.948 -5.306 404 1HB ASP 55 1HB ASP 55 13.141 2.644 -6.948 405 2HB ASP 55 2HB ASP 55 13.159 3.816 -5.638 406 H ASN 56 H ASN 56 14.264 0.420 -3.778 407 HA ASN 56 HA ASN 56 14.907 -1.497 -5.693 408 1HB ASN 56 1HB ASN 56 15.178 -1.457 -2.697 409 2HB ASN 56 2HB ASN 56 15.637 -2.887 -3.613 410 1HD2 ASN 56 1HD2 ASN 56 16.649 -1.459 -5.905 411 2HD2 ASN 56 2HD2 ASN 56 18.122 -0.704 -5.416 412 H LEU 57 H LEU 57 12.090 -1.351 -3.662 413 HA LEU 57 HA LEU 57 11.429 -4.106 -4.497 414 1HB LEU 57 1HB LEU 57 10.203 -4.408 -2.385 415 2HB LEU 57 2HB LEU 57 11.918 -4.153 -2.151 416 HG LEU 57 HG LEU 57 11.309 -1.699 -1.648 417 1HD1 LEU 57 1HD1 LEU 57 8.579 -2.951 -1.331 418 2HD1 LEU 57 2HD1 LEU 57 9.032 -1.673 -2.460 419 3HD1 LEU 57 3HD1 LEU 57 9.047 -1.362 -0.726 420 1HD2 LEU 57 1HD2 LEU 57 10.831 -2.217 0.691 421 2HD2 LEU 57 2HD2 LEU 57 12.088 -3.270 0.042 422 3HD2 LEU 57 3HD2 LEU 57 10.445 -3.880 0.249 423 H LEU 58 H LEU 58 10.621 -1.059 -5.187 424 HA LEU 58 HA LEU 58 7.823 -0.982 -4.806 425 1HB LEU 58 1HB LEU 58 9.536 0.435 -6.851 426 2HB LEU 58 2HB LEU 58 7.828 0.754 -6.615 427 HG LEU 58 HG LEU 58 10.046 1.244 -4.625 428 1HD1 LEU 58 1HD1 LEU 58 9.412 3.591 -4.873 429 2HD1 LEU 58 2HD1 LEU 58 8.202 3.145 -6.076 430 3HD1 LEU 58 3HD1 LEU 58 9.915 2.898 -6.414 431 1HD2 LEU 58 1HD2 LEU 58 8.302 2.183 -3.170 432 2HD2 LEU 58 2HD2 LEU 58 8.080 0.456 -3.442 433 3HD2 LEU 58 3HD2 LEU 58 7.068 1.621 -4.298 434 H ASN 59 H ASN 59 9.667 -1.669 -7.782 435 HA ASN 59 HA ASN 59 7.326 -2.730 -9.087 436 1HB ASN 59 1HB ASN 59 9.157 -1.544 -10.323 437 2HB ASN 59 2HB ASN 59 10.228 -2.890 -9.962 438 1HD2 ASN 59 1HD2 ASN 59 9.259 -1.793 -12.525 439 2HD2 ASN 59 2HD2 ASN 59 8.548 -3.130 -13.358 440 H ARG 60 H ARG 60 6.748 -4.327 -7.547 441 HA ARG 60 HA ARG 60 8.016 -6.903 -7.924 442 1HB ARG 60 1HB ARG 60 9.277 -5.616 -6.052 443 2HB ARG 60 2HB ARG 60 7.823 -5.844 -5.096 444 1HG ARG 60 1HG ARG 60 9.074 -7.634 -4.403 445 2HG ARG 60 2HG ARG 60 8.168 -8.375 -5.724 446 1HD ARG 60 1HD ARG 60 10.562 -8.958 -5.802 447 2HD ARG 60 2HD ARG 60 10.057 -8.053 -7.232 448 HE ARG 60 HE ARG 60 11.095 -6.085 -6.246 449 1HH1 ARG 60 1HH1 ARG 60 12.068 -9.202 -4.957 450 2HH1 ARG 60 2HH1 ARG 60 13.510 -8.574 -4.223 451 1HH2 ARG 60 1HH2 ARG 60 12.978 -5.277 -5.265 452 2HH2 ARG 60 2HH2 ARG 60 14.007 -6.347 -4.363 453 H LYS 61 H LYS 61 6.778 -8.602 -6.664 454 HA LYS 61 HA LYS 61 3.966 -8.310 -6.800 455 1HB LYS 61 1HB LYS 61 3.908 -10.484 -5.613 456 2HB LYS 61 2HB LYS 61 5.023 -10.496 -6.974 457 1HG LYS 61 1HG LYS 61 6.890 -10.604 -5.639 458 2HG LYS 61 2HG LYS 61 6.095 -9.832 -4.270 459 1HD LYS 61 1HD LYS 61 5.412 -12.611 -5.231 460 2HD LYS 61 2HD LYS 61 6.625 -12.284 -3.994 461 1HE LYS 61 1HE LYS 61 4.626 -12.807 -2.839 462 2HE LYS 61 2HE LYS 61 4.823 -11.066 -2.708 463 1HZ LYS 61 1HZ LYS 61 2.531 -11.837 -3.236 464 2HZ LYS 61 2HZ LYS 61 3.096 -12.362 -4.737 465 3HZ LYS 61 3HZ LYS 61 3.158 -10.721 -4.337 466 H SER 62 H SER 62 6.148 -7.167 -4.567 467 HA SER 62 HA SER 62 5.226 -7.490 -2.053 468 1HB SER 62 1HB SER 62 6.070 -5.110 -1.675 469 2HB SER 62 2HB SER 62 7.205 -6.226 -2.436 470 HG SER 62 HG SER 62 7.204 -4.312 -3.601 471 H PHE 63 H PHE 63 4.124 -4.799 -4.157 472 HA PHE 63 HA PHE 63 2.105 -3.932 -2.380 473 1HB PHE 63 1HB PHE 63 2.551 -3.453 -5.328 474 2HB PHE 63 2HB PHE 63 1.203 -2.730 -4.454 475 HD1 PHE 63 HD1 PHE 63 4.916 -2.947 -4.530 476 HD2 PHE 63 HD2 PHE 63 1.499 -0.768 -3.207 477 HE1 PHE 63 HE1 PHE 63 6.371 -1.102 -3.805 478 HE2 PHE 63 HE2 PHE 63 2.954 1.078 -2.485 479 HZ PHE 63 HZ PHE 63 5.392 0.912 -2.783 480 H ALA 64 H ALA 64 2.090 -6.263 -5.000 481 HA ALA 64 HA ALA 64 -0.704 -6.619 -5.206 482 1HB ALA 64 1HB ALA 64 1.508 -8.598 -5.779 483 2HB ALA 64 2HB ALA 64 0.846 -7.423 -6.917 484 3HB ALA 64 3HB ALA 64 -0.168 -8.737 -6.317 485 H SER 65 H SER 65 1.626 -7.693 -2.907 486 HA SER 65 HA SER 65 -0.472 -9.155 -1.444 487 1HB SER 65 1HB SER 65 2.441 -9.990 -1.624 488 2HB SER 65 2HB SER 65 1.156 -10.838 -0.765 489 HG SER 65 HG SER 65 0.155 -11.238 -2.762 490 H ILE 66 H ILE 66 -0.762 -7.179 -0.268 491 HA ILE 66 HA ILE 66 1.263 -5.668 0.884 492 HB ILE 66 HB ILE 66 -1.584 -6.028 1.821 493 1HG1 ILE 66 1HG1 ILE 66 -0.237 -3.890 0.145 494 2HG1 ILE 66 2HG1 ILE 66 -1.390 -5.090 -0.428 495 1HG2 ILE 66 1HG2 ILE 66 -1.285 -3.943 3.091 496 2HG2 ILE 66 2HG2 ILE 66 0.428 -3.936 2.666 497 3HG2 ILE 66 3HG2 ILE 66 -0.225 -5.225 3.679 498 1HD1 ILE 66 1HD1 ILE 66 -1.980 -2.897 1.548 499 2HD1 ILE 66 2HD1 ILE 66 -3.133 -4.083 0.934 500 3HD1 ILE 66 3HD1 ILE 66 -2.413 -2.902 -0.160 501 H LYS 67 H LYS 67 -0.420 -8.497 2.186 502 HA LYS 67 HA LYS 67 0.579 -8.467 4.774 503 1HB LYS 67 1HB LYS 67 0.219 -10.881 4.846 504 2HB LYS 67 2HB LYS 67 -1.133 -10.061 4.085 505 1HG LYS 67 1HG LYS 67 1.022 -11.212 2.361 506 2HG LYS 67 2HG LYS 67 -0.162 -12.290 3.099 507 1HD LYS 67 1HD LYS 67 -1.972 -10.929 2.074 508 2HD LYS 67 2HD LYS 67 -0.743 -9.958 1.263 509 1HE LYS 67 1HE LYS 67 -1.720 -11.722 -0.181 510 2HE LYS 67 2HE LYS 67 0.024 -11.866 0.016 511 1HZ LYS 67 1HZ LYS 67 -0.297 -13.616 1.602 512 2HZ LYS 67 2HZ LYS 67 -1.147 -14.004 0.193 513 3HZ LYS 67 3HZ LYS 67 -1.977 -13.431 1.550 514 H ALA 68 H ALA 68 2.194 -9.290 1.802 515 HA ALA 68 HA ALA 68 4.500 -10.442 3.108 516 1HB ALA 68 1HB ALA 68 5.461 -10.565 0.875 517 2HB ALA 68 2HB ALA 68 4.146 -9.580 0.233 518 3HB ALA 68 3HB ALA 68 3.813 -11.191 0.867 519 H ILE 69 H ILE 69 3.703 -7.388 1.462 520 HA ILE 69 HA ILE 69 6.324 -6.327 1.576 521 HB ILE 69 HB ILE 69 4.462 -5.546 0.028 522 1HG1 ILE 69 1HG1 ILE 69 5.986 -3.418 1.566 523 2HG1 ILE 69 2HG1 ILE 69 6.631 -4.376 0.237 524 1HG2 ILE 69 1HG2 ILE 69 3.669 -3.860 2.407 525 2HG2 ILE 69 2HG2 ILE 69 2.754 -5.235 1.796 526 3HG2 ILE 69 3HG2 ILE 69 2.965 -3.806 0.789 527 1HD1 ILE 69 1HD1 ILE 69 4.366 -2.399 0.070 528 2HD1 ILE 69 2HD1 ILE 69 4.971 -3.380 -1.267 529 3HD1 ILE 69 3HD1 ILE 69 6.013 -2.168 -0.519 530 H GLU 70 H GLU 70 3.632 -6.247 3.836 531 HA GLU 70 HA GLU 70 4.525 -4.120 5.445 532 1HB GLU 70 1HB GLU 70 3.047 -4.995 7.184 533 2HB GLU 70 2HB GLU 70 2.250 -5.014 5.621 534 1HG GLU 70 1HG GLU 70 1.608 -7.051 6.387 535 2HG GLU 70 2HG GLU 70 3.109 -7.514 5.592 536 H ASP 71 H ASP 71 5.377 -7.505 5.342 537 HA ASP 71 HA ASP 71 6.991 -7.472 7.704 538 1HB ASP 71 1HB ASP 71 6.037 -9.559 6.802 539 2HB ASP 71 2HB ASP 71 7.009 -9.381 5.345 540 H THR 72 H THR 72 7.533 -7.014 4.266 541 HA THR 72 HA THR 72 10.357 -6.990 4.324 542 HB THR 72 HB THR 72 8.543 -5.582 2.345 543 HG1 THR 72 HG1 THR 72 8.737 -8.174 2.883 544 1HG2 THR 72 1HG2 THR 72 11.378 -6.613 2.082 545 2HG2 THR 72 2HG2 THR 72 10.895 -4.916 2.152 546 3HG2 THR 72 3HG2 THR 72 10.415 -5.916 0.779 547 H VAL 73 H VAL 73 7.933 -4.438 4.759 548 HA VAL 73 HA VAL 73 9.869 -2.319 4.781 549 HB VAL 73 HB VAL 73 7.517 -1.902 4.135 550 1HG1 VAL 73 1HG1 VAL 73 6.904 -2.332 7.059 551 2HG1 VAL 73 2HG1 VAL 73 6.381 -3.352 5.718 552 3HG1 VAL 73 3HG1 VAL 73 5.780 -1.699 5.855 553 1HG2 VAL 73 1HG2 VAL 73 8.918 -0.035 4.850 554 2HG2 VAL 73 2HG2 VAL 73 8.443 -0.302 6.528 555 3HG2 VAL 73 3HG2 VAL 73 7.243 0.220 5.345 556 H LYS 74 H LYS 74 8.409 -4.400 7.199 557 HA LYS 74 HA LYS 74 9.199 -3.002 9.508 558 1HB LYS 74 1HB LYS 74 8.771 -5.951 8.992 559 2HB LYS 74 2HB LYS 74 9.170 -5.321 10.585 560 1HG LYS 74 1HG LYS 74 7.146 -4.083 10.706 561 2HG LYS 74 2HG LYS 74 6.795 -4.361 9.002 562 1HD LYS 74 1HD LYS 74 5.390 -5.773 10.391 563 2HD LYS 74 2HD LYS 74 6.514 -6.763 9.463 564 1HE LYS 74 1HE LYS 74 7.927 -7.045 11.412 565 2HE LYS 74 2HE LYS 74 6.907 -5.950 12.346 566 1HZ LYS 74 1HZ LYS 74 6.430 -8.282 12.820 567 2HZ LYS 74 2HZ LYS 74 6.026 -8.545 11.201 568 3HZ LYS 74 3HZ LYS 74 5.089 -7.507 12.149 569 H LEU 75 H LEU 75 10.926 -5.208 7.389 570 HA LEU 75 HA LEU 75 13.281 -5.535 8.865 571 1HB LEU 75 1HB LEU 75 12.930 -5.379 5.865 572 2HB LEU 75 2HB LEU 75 14.365 -5.975 6.677 573 HG LEU 75 HG LEU 75 11.619 -7.238 6.825 574 1HD1 LEU 75 1HD1 LEU 75 14.111 -8.135 5.375 575 2HD1 LEU 75 2HD1 LEU 75 12.644 -7.505 4.625 576 3HD1 LEU 75 3HD1 LEU 75 12.600 -9.038 5.495 577 1HD2 LEU 75 1HD2 LEU 75 14.267 -8.166 7.949 578 2HD2 LEU 75 2HD2 LEU 75 12.759 -9.080 7.972 579 3HD2 LEU 75 3HD2 LEU 75 12.890 -7.577 8.883 580 H ILE 76 H ILE 76 12.125 -2.869 6.924 581 HA ILE 76 HA ILE 76 14.575 -1.436 6.757 582 HB ILE 76 HB ILE 76 11.744 -0.352 6.676 583 1HG1 ILE 76 1HG1 ILE 76 13.573 -1.154 4.389 584 2HG1 ILE 76 2HG1 ILE 76 12.195 -2.093 4.957 585 1HG2 ILE 76 1HG2 ILE 76 13.386 1.398 7.115 586 2HG2 ILE 76 2HG2 ILE 76 12.731 1.561 5.487 587 3HG2 ILE 76 3HG2 ILE 76 14.339 0.877 5.725 588 1HD1 ILE 76 1HD1 ILE 76 12.081 0.665 3.759 589 2HD1 ILE 76 2HD1 ILE 76 10.699 -0.265 4.337 590 3HD1 ILE 76 3HD1 ILE 76 11.638 -0.843 2.963 591 H LEU 77 H LEU 77 11.750 -1.168 8.906 592 HA LEU 77 HA LEU 77 12.671 0.868 10.569 593 1HB LEU 77 1HB LEU 77 10.781 -1.428 11.035 594 2HB LEU 77 2HB LEU 77 11.173 -0.317 12.330 595 HG LEU 77 HG LEU 77 9.060 0.298 11.299 596 1HD1 LEU 77 1HD1 LEU 77 10.453 2.086 12.188 597 2HD1 LEU 77 2HD1 LEU 77 9.526 2.639 10.795 598 3HD1 LEU 77 3HD1 LEU 77 11.241 2.270 10.620 599 1HD2 LEU 77 1HD2 LEU 77 9.423 -0.633 9.072 600 2HD2 LEU 77 2HD2 LEU 77 10.616 0.619 8.729 601 3HD2 LEU 77 3HD2 LEU 77 8.924 1.055 8.979 602 H ASP 78 H ASP 78 13.408 -2.542 10.550 603 HA ASP 78 HA ASP 78 14.792 -2.602 13.045 604 1HB ASP 78 1HB ASP 78 13.956 -4.674 12.179 605 2HB ASP 78 2HB ASP 78 14.794 -4.447 10.646 606 H GLY 79 H GLY 79 15.779 -2.140 9.677 607 1HA GLY 79 1HA GLY 79 18.601 -2.021 10.492 608 2HA GLY 79 2HA GLY 79 18.007 -2.237 8.857 609 H LYS 80 H LYS 80 16.576 0.249 10.820 610 HA LYS 80 HA LYS 80 17.375 2.297 9.000 611 1HB LYS 80 1HB LYS 80 16.080 2.459 11.716 612 2HB LYS 80 2HB LYS 80 16.379 3.854 10.684 613 1HG LYS 80 1HG LYS 80 15.044 2.449 8.919 614 2HG LYS 80 2HG LYS 80 14.423 1.631 10.355 615 1HD LYS 80 1HD LYS 80 14.318 4.585 9.778 616 2HD LYS 80 2HD LYS 80 12.964 3.457 9.719 617 1HE LYS 80 1HE LYS 80 13.178 3.045 12.116 618 2HE LYS 80 2HE LYS 80 14.570 4.126 12.188 619 1HZ LYS 80 1HZ LYS 80 13.152 5.959 11.549 620 2HZ LYS 80 2HZ LYS 80 12.527 5.204 12.927 621 3HZ LYS 80 3HZ LYS 80 11.819 4.931 11.419 622 H GLU 81 H GLU 81 18.130 1.745 12.425 623 HA GLU 81 HA GLU 81 19.715 2.560 13.816 624 1HB GLU 81 1HB GLU 81 21.380 1.521 12.393 625 2HB GLU 81 2HB GLU 81 21.304 2.854 11.251 626 1HG GLU 81 1HG GLU 81 23.316 2.951 12.633 627 2HG GLU 81 2HG GLU 81 22.285 4.357 12.881 628 H ALA 82 H ALA 82 18.449 4.246 14.452 629 HA ALA 82 HA ALA 82 19.380 6.889 13.809 630 1HB ALA 82 1HB ALA 82 17.768 6.534 11.981 631 2HB ALA 82 2HB ALA 82 17.216 7.785 13.094 632 3HB ALA 82 3HB ALA 82 16.510 6.170 13.163 633 H ALA 83 H ALA 83 19.856 7.112 15.937 634 HA ALA 83 HA ALA 83 17.614 6.986 17.851 635 1HB ALA 83 1HB ALA 83 20.520 6.370 18.400 636 2HB ALA 83 2HB ALA 83 19.227 5.182 18.240 637 3HB ALA 83 3HB ALA 83 19.208 6.331 19.578 Start of MODEL 7 1 HA MET 1 HA MET 1 2.087 1.062 11.185 2 1HB MET 1 1HB MET 1 4.088 0.052 12.346 3 2HB MET 1 2HB MET 1 4.111 -1.187 11.099 4 1HG MET 1 1HG MET 1 4.452 0.540 9.399 5 2HG MET 1 2HG MET 1 4.438 1.774 10.658 6 1HE MET 1 1HE MET 1 7.709 -1.442 10.147 7 2HE MET 1 2HE MET 1 6.453 -1.120 8.952 8 3HE MET 1 3HE MET 1 6.026 -1.828 10.510 9 H ASN 2 H ASN 2 1.899 -2.386 10.411 10 HA ASN 2 HA ASN 2 1.932 -1.993 7.586 11 1HB ASN 2 1HB ASN 2 1.034 -4.389 7.547 12 2HB ASN 2 2HB ASN 2 2.616 -4.140 8.273 13 1HD2 ASN 2 1HD2 ASN 2 2.297 -6.161 9.294 14 2HD2 ASN 2 2HD2 ASN 2 1.336 -6.277 10.727 15 H ALA 3 H ALA 3 -0.656 -2.458 9.963 16 HA ALA 3 HA ALA 3 -2.832 -2.509 8.210 17 1HB ALA 3 1HB ALA 3 -3.009 -3.056 10.597 18 2HB ALA 3 2HB ALA 3 -4.189 -1.832 10.128 19 3HB ALA 3 3HB ALA 3 -2.734 -1.363 11.006 20 H THR 4 H THR 4 -1.040 0.150 9.616 21 HA THR 4 HA THR 4 -2.532 2.333 8.784 22 HB THR 4 HB THR 4 0.479 2.053 8.996 23 HG1 THR 4 HG1 THR 4 -1.393 3.056 10.900 24 1HG2 THR 4 1HG2 THR 4 -0.125 4.069 7.753 25 2HG2 THR 4 2HG2 THR 4 0.507 4.477 9.349 26 3HG2 THR 4 3HG2 THR 4 -1.230 4.546 9.044 27 H ILE 5 H ILE 5 -0.210 0.357 7.027 28 HA ILE 5 HA ILE 5 0.058 2.026 4.758 29 HB ILE 5 HB ILE 5 0.487 -0.962 4.985 30 1HG1 ILE 5 1HG1 ILE 5 2.515 1.285 5.181 31 2HG1 ILE 5 2HG1 ILE 5 1.803 0.481 6.574 32 1HG2 ILE 5 1HG2 ILE 5 1.475 1.003 2.908 33 2HG2 ILE 5 2HG2 ILE 5 0.267 -0.258 2.660 34 3HG2 ILE 5 3HG2 ILE 5 1.936 -0.697 3.014 35 1HD1 ILE 5 1HD1 ILE 5 4.004 -0.389 6.089 36 2HD1 ILE 5 2HD1 ILE 5 3.494 -0.827 4.457 37 3HD1 ILE 5 3HD1 ILE 5 2.775 -1.632 5.856 38 H ARG 6 H ARG 6 -1.826 -0.980 5.225 39 HA ARG 6 HA ARG 6 -3.135 -0.834 2.723 40 1HB ARG 6 1HB ARG 6 -4.641 -2.530 3.586 41 2HB ARG 6 2HB ARG 6 -2.999 -2.897 4.098 42 1HG ARG 6 1HG ARG 6 -3.507 -1.888 6.303 43 2HG ARG 6 2HG ARG 6 -5.174 -1.659 5.776 44 1HD ARG 6 1HD ARG 6 -5.364 -4.101 5.440 45 2HD ARG 6 2HD ARG 6 -3.721 -4.291 6.061 46 HE ARG 6 HE ARG 6 -5.712 -2.963 7.745 47 1HH1 ARG 6 1HH1 ARG 6 -3.755 -5.800 7.114 48 2HH1 ARG 6 2HH1 ARG 6 -3.947 -6.436 8.720 49 1HH2 ARG 6 1HH2 ARG 6 -5.985 -3.797 9.826 50 2HH2 ARG 6 2HH2 ARG 6 -5.223 -5.293 10.271 51 H GLU 7 H GLU 7 -3.716 0.667 5.799 52 HA GLU 7 HA GLU 7 -6.413 1.440 5.402 53 1HB GLU 7 1HB GLU 7 -5.403 1.397 7.625 54 2HB GLU 7 2HB GLU 7 -4.258 2.645 7.155 55 1HG GLU 7 1HG GLU 7 -6.128 4.220 6.845 56 2HG GLU 7 2HG GLU 7 -7.247 2.967 7.380 57 H ILE 8 H ILE 8 -3.310 2.954 4.588 58 HA ILE 8 HA ILE 8 -4.312 5.527 4.124 59 HB ILE 8 HB ILE 8 -1.833 4.876 4.273 60 1HG1 ILE 8 1HG1 ILE 8 -2.853 6.796 2.166 61 2HG1 ILE 8 2HG1 ILE 8 -2.600 7.149 3.870 62 1HG2 ILE 8 1HG2 ILE 8 -2.235 4.440 1.308 63 2HG2 ILE 8 2HG2 ILE 8 -1.820 3.197 2.485 64 3HG2 ILE 8 3HG2 ILE 8 -0.684 4.500 2.148 65 1HD1 ILE 8 1HD1 ILE 8 -0.840 8.094 2.533 66 2HD1 ILE 8 2HD1 ILE 8 -0.475 6.512 1.844 67 3HD1 ILE 8 3HD1 ILE 8 -0.196 6.814 3.560 68 H LEU 9 H LEU 9 -4.294 2.677 2.103 69 HA LEU 9 HA LEU 9 -4.839 3.872 -0.374 70 1HB LEU 9 1HB LEU 9 -5.481 1.161 0.758 71 2HB LEU 9 2HB LEU 9 -6.036 1.619 -0.840 72 HG LEU 9 HG LEU 9 -3.969 0.294 -0.941 73 1HD1 LEU 9 1HD1 LEU 9 -2.675 1.782 -2.389 74 2HD1 LEU 9 2HD1 LEU 9 -3.584 3.167 -1.784 75 3HD1 LEU 9 3HD1 LEU 9 -4.404 1.908 -2.709 76 1HD2 LEU 9 1HD2 LEU 9 -2.685 2.595 0.535 77 2HD2 LEU 9 2HD2 LEU 9 -1.857 1.184 -0.131 78 3HD2 LEU 9 3HD2 LEU 9 -2.994 0.991 1.203 79 H ALA 10 H ALA 10 -6.872 3.347 2.389 80 HA ALA 10 HA ALA 10 -9.363 3.692 1.003 81 1HB ALA 10 1HB ALA 10 -9.238 2.433 3.100 82 2HB ALA 10 2HB ALA 10 -10.355 3.791 3.237 83 3HB ALA 10 3HB ALA 10 -8.747 3.896 3.954 84 H LYS 11 H LYS 11 -7.029 5.791 2.514 85 HA LYS 11 HA LYS 11 -8.884 8.062 2.382 86 1HB LYS 11 1HB LYS 11 -7.108 9.205 3.818 87 2HB LYS 11 2HB LYS 11 -8.021 7.898 4.559 88 1HG LYS 11 1HG LYS 11 -6.074 6.385 3.921 89 2HG LYS 11 2HG LYS 11 -5.177 7.865 3.588 90 1HD LYS 11 1HD LYS 11 -6.437 7.107 6.232 91 2HD LYS 11 2HD LYS 11 -4.720 7.013 5.843 92 1HE LYS 11 1HE LYS 11 -4.677 9.454 5.521 93 2HE LYS 11 2HE LYS 11 -6.388 9.531 5.944 94 1HZ LYS 11 1HZ LYS 11 -4.200 8.594 7.724 95 2HZ LYS 11 2HZ LYS 11 -5.841 8.642 8.132 96 3HZ LYS 11 3HZ LYS 11 -5.002 10.081 7.833 97 H PHE 12 H PHE 12 -5.406 7.477 1.702 98 HA PHE 12 HA PHE 12 -5.430 9.724 -0.166 99 1HB PHE 12 1HB PHE 12 -3.237 8.094 1.090 100 2HB PHE 12 2HB PHE 12 -2.908 9.132 -0.285 101 HD1 PHE 12 HD1 PHE 12 -3.924 9.052 3.249 102 HD2 PHE 12 HD2 PHE 12 -2.873 11.529 -0.053 103 HE1 PHE 12 HE1 PHE 12 -3.690 10.971 4.768 104 HE2 PHE 12 HE2 PHE 12 -2.636 13.452 1.465 105 HZ PHE 12 HZ PHE 12 -3.044 13.174 3.878 106 H GLY 13 H GLY 13 -5.449 6.269 -0.202 107 1HA GLY 13 1HA GLY 13 -4.293 5.830 -2.748 108 2HA GLY 13 2HA GLY 13 -5.379 4.733 -1.911 109 H GLN 14 H GLN 14 -5.022 6.819 -4.529 110 HA GLN 14 HA GLN 14 -7.801 7.499 -4.864 111 1HB GLN 14 1HB GLN 14 -5.968 8.958 -5.695 112 2HB GLN 14 2HB GLN 14 -5.521 7.710 -6.849 113 1HG GLN 14 1HG GLN 14 -7.720 7.918 -7.919 114 2HG GLN 14 2HG GLN 14 -8.154 9.183 -6.770 115 1HE2 GLN 14 1HE2 GLN 14 -7.989 9.299 -9.671 116 2HE2 GLN 14 2HE2 GLN 14 -6.851 10.542 -10.049 117 H LEU 15 H LEU 15 -8.406 5.183 -4.591 118 HA LEU 15 HA LEU 15 -8.073 3.530 -6.980 119 1HB LEU 15 1HB LEU 15 -7.806 2.658 -4.595 120 2HB LEU 15 2HB LEU 15 -9.541 2.846 -4.424 121 HG LEU 15 HG LEU 15 -9.856 1.234 -6.311 122 1HD1 LEU 15 1HD1 LEU 15 -7.970 -0.145 -7.021 123 2HD1 LEU 15 2HD1 LEU 15 -6.875 0.832 -6.042 124 3HD1 LEU 15 3HD1 LEU 15 -7.704 1.551 -7.422 125 1HD2 LEU 15 1HD2 LEU 15 -8.258 0.201 -3.962 126 2HD2 LEU 15 2HD2 LEU 15 -9.271 -0.775 -5.028 127 3HD2 LEU 15 3HD2 LEU 15 -10.003 0.460 -4.005 128 HA PRO 16 HA PRO 16 -12.088 4.915 -8.437 129 1HB PRO 16 1HB PRO 16 -12.399 3.149 -10.473 130 2HB PRO 16 2HB PRO 16 -11.285 4.519 -10.568 131 1HG PRO 16 1HG PRO 16 -10.719 1.634 -10.031 132 2HG PRO 16 2HG PRO 16 -9.786 2.804 -10.981 133 1HD PRO 16 1HD PRO 16 -9.166 2.043 -8.411 134 2HD PRO 16 2HD PRO 16 -8.674 3.588 -9.138 135 H THR 17 H THR 17 -11.330 1.920 -7.132 136 HA THR 17 HA THR 17 -14.120 1.029 -6.983 137 HB THR 17 HB THR 17 -11.475 -0.417 -6.952 138 HG1 THR 17 HG1 THR 17 -12.007 -0.936 -8.918 139 1HG2 THR 17 1HG2 THR 17 -12.834 -1.430 -5.221 140 2HG2 THR 17 2HG2 THR 17 -12.691 -2.512 -6.605 141 3HG2 THR 17 3HG2 THR 17 -14.179 -1.600 -6.349 142 HA PRO 18 HA PRO 18 -13.919 2.013 -2.636 143 1HB PRO 18 1HB PRO 18 -15.629 0.057 -1.669 144 2HB PRO 18 2HB PRO 18 -16.149 1.596 -2.363 145 1HG PRO 18 1HG PRO 18 -16.006 -1.107 -3.636 146 2HG PRO 18 2HG PRO 18 -17.239 0.156 -3.815 147 1HD PRO 18 1HD PRO 18 -15.355 -0.275 -5.695 148 2HD PRO 18 2HD PRO 18 -15.963 1.352 -5.345 149 H VAL 19 H VAL 19 -12.232 1.553 -1.380 150 HA VAL 19 HA VAL 19 -10.657 -0.760 -1.567 151 HB VAL 19 HB VAL 19 -10.815 1.205 0.740 152 1HG1 VAL 19 1HG1 VAL 19 -8.528 0.505 1.265 153 2HG1 VAL 19 2HG1 VAL 19 -8.587 -0.688 -0.032 154 3HG1 VAL 19 3HG1 VAL 19 -9.646 -0.855 1.368 155 1HG2 VAL 19 1HG2 VAL 19 -8.926 2.332 -0.366 156 2HG2 VAL 19 2HG2 VAL 19 -10.375 2.334 -1.371 157 3HG2 VAL 19 3HG2 VAL 19 -9.060 1.212 -1.722 158 H ASP 20 H ASP 20 -13.495 -0.082 0.218 159 HA ASP 20 HA ASP 20 -13.416 -1.853 2.340 160 1HB ASP 20 1HB ASP 20 -15.187 -0.223 2.074 161 2HB ASP 20 2HB ASP 20 -15.743 -1.004 0.600 162 H THR 21 H THR 21 -13.722 -2.568 -1.061 163 HA THR 21 HA THR 21 -14.818 -5.219 -0.575 164 HB THR 21 HB THR 21 -15.521 -3.781 -2.545 165 HG1 THR 21 HG1 THR 21 -14.680 -6.466 -2.705 166 1HG2 THR 21 1HG2 THR 21 -13.265 -3.038 -3.231 167 2HG2 THR 21 2HG2 THR 21 -14.131 -3.827 -4.546 168 3HG2 THR 21 3HG2 THR 21 -12.868 -4.699 -3.678 169 H ILE 22 H ILE 22 -11.703 -3.826 -0.805 170 HA ILE 22 HA ILE 22 -10.505 -6.409 -1.584 171 HB ILE 22 HB ILE 22 -8.388 -5.151 -1.953 172 1HG1 ILE 22 1HG1 ILE 22 -10.122 -2.705 -1.496 173 2HG1 ILE 22 2HG1 ILE 22 -8.832 -3.255 -0.434 174 1HG2 ILE 22 1HG2 ILE 22 -9.884 -5.637 -3.819 175 2HG2 ILE 22 2HG2 ILE 22 -9.070 -4.091 -4.054 176 3HG2 ILE 22 3HG2 ILE 22 -10.755 -4.131 -3.530 177 1HD1 ILE 22 1HD1 ILE 22 -8.484 -2.317 -3.274 178 2HD1 ILE 22 2HD1 ILE 22 -7.197 -2.828 -2.182 179 3HD1 ILE 22 3HD1 ILE 22 -8.137 -1.381 -1.822 180 H ALA 23 H ALA 23 -8.139 -6.509 -0.503 181 HA ALA 23 HA ALA 23 -8.026 -5.797 2.260 182 1HB ALA 23 1HB ALA 23 -8.231 -8.064 3.189 183 2HB ALA 23 2HB ALA 23 -8.659 -8.679 1.591 184 3HB ALA 23 3HB ALA 23 -9.731 -7.548 2.417 185 H ASP 24 H ASP 24 -6.258 -7.320 3.331 186 HA ASP 24 HA ASP 24 -3.828 -6.739 2.153 187 1HB ASP 24 1HB ASP 24 -4.414 -8.977 4.113 188 2HB ASP 24 2HB ASP 24 -2.828 -8.282 3.794 189 H GLU 25 H GLU 25 -5.759 -9.656 1.861 190 HA GLU 25 HA GLU 25 -3.637 -11.032 0.415 191 1HB GLU 25 1HB GLU 25 -6.353 -11.988 1.338 192 2HB GLU 25 2HB GLU 25 -5.134 -12.996 0.565 193 1HG GLU 25 1HG GLU 25 -3.613 -12.636 2.421 194 2HG GLU 25 2HG GLU 25 -4.771 -11.548 3.186 195 H ALA 26 H ALA 26 -6.238 -9.050 -0.336 196 HA ALA 26 HA ALA 26 -7.113 -10.427 -2.718 197 1HB ALA 26 1HB ALA 26 -8.646 -9.032 -1.351 198 2HB ALA 26 2HB ALA 26 -8.598 -8.555 -3.049 199 3HB ALA 26 3HB ALA 26 -7.731 -7.606 -1.842 200 H ASP 27 H ASP 27 -6.744 -9.800 -4.849 201 HA ASP 27 HA ASP 27 -4.188 -8.581 -5.350 202 1HB ASP 27 1HB ASP 27 -6.335 -9.588 -7.239 203 2HB ASP 27 2HB ASP 27 -4.768 -8.978 -7.762 204 H LEU 28 H LEU 28 -4.150 -6.461 -4.908 205 HA LEU 28 HA LEU 28 -6.220 -4.638 -5.047 206 1HB LEU 28 1HB LEU 28 -3.318 -3.955 -5.516 207 2HB LEU 28 2HB LEU 28 -4.566 -2.906 -4.870 208 HG LEU 28 HG LEU 28 -3.384 -5.323 -3.494 209 1HD1 LEU 28 1HD1 LEU 28 -1.871 -3.419 -3.556 210 2HD1 LEU 28 2HD1 LEU 28 -2.476 -3.679 -1.922 211 3HD1 LEU 28 3HD1 LEU 28 -3.134 -2.373 -2.907 212 1HD2 LEU 28 1HD2 LEU 28 -5.477 -3.379 -2.512 213 2HD2 LEU 28 2HD2 LEU 28 -4.737 -4.671 -1.567 214 3HD2 LEU 28 3HD2 LEU 28 -5.757 -5.065 -2.950 215 H TYR 29 H TYR 29 -3.819 -5.410 -7.544 216 HA TYR 29 HA TYR 29 -4.569 -3.368 -9.336 217 1HB TYR 29 1HB TYR 29 -3.354 -4.671 -11.058 218 2HB TYR 29 2HB TYR 29 -2.426 -4.462 -9.579 219 HD1 TYR 29 HD2 TYR 29 -2.035 -6.380 -8.076 220 HD2 TYR 29 HD1 TYR 29 -4.042 -6.868 -11.801 221 HE1 TYR 29 HE2 TYR 29 -1.645 -8.798 -7.962 222 HE2 TYR 29 HE1 TYR 29 -3.659 -9.294 -11.693 223 HH TYR 29 HH TYR 29 -2.692 -10.878 -8.890 224 H ALA 30 H ALA 30 -5.956 -6.473 -8.649 225 HA ALA 30 HA ALA 30 -7.494 -6.719 -11.039 226 1HB ALA 30 1HB ALA 30 -8.751 -8.436 -9.823 227 2HB ALA 30 2HB ALA 30 -7.966 -7.952 -8.319 228 3HB ALA 30 3HB ALA 30 -7.013 -8.655 -9.624 229 H ALA 31 H ALA 31 -7.928 -5.084 -7.976 230 HA ALA 31 HA ALA 31 -10.687 -4.407 -8.407 231 1HB ALA 31 1HB ALA 31 -10.401 -2.908 -6.493 232 2HB ALA 31 2HB ALA 31 -8.656 -3.170 -6.538 233 3HB ALA 31 3HB ALA 31 -9.740 -4.506 -6.148 234 H GLY 32 H GLY 32 -7.620 -3.141 -9.346 235 1HA GLY 32 1HA GLY 32 -7.697 -1.786 -11.412 236 2HA GLY 32 2HA GLY 32 -8.979 -0.853 -10.653 237 H LEU 33 H LEU 33 -6.164 -1.919 -8.864 238 HA LEU 33 HA LEU 33 -5.490 0.652 -7.976 239 1HB LEU 33 1HB LEU 33 -4.802 -1.403 -6.805 240 2HB LEU 33 2HB LEU 33 -3.729 -1.804 -8.132 241 HG LEU 33 HG LEU 33 -2.408 0.252 -7.649 242 1HD1 LEU 33 1HD1 LEU 33 -4.139 1.595 -6.594 243 2HD1 LEU 33 2HD1 LEU 33 -2.752 1.422 -5.522 244 3HD1 LEU 33 3HD1 LEU 33 -4.210 0.472 -5.236 245 1HD2 LEU 33 1HD2 LEU 33 -2.708 -1.639 -5.313 246 2HD2 LEU 33 2HD2 LEU 33 -1.321 -0.599 -5.634 247 3HD2 LEU 33 3HD2 LEU 33 -1.714 -1.909 -6.745 248 H SER 34 H SER 34 -4.935 2.240 -9.315 249 HA SER 34 HA SER 34 -3.272 1.690 -11.654 250 1HB SER 34 1HB SER 34 -4.662 4.262 -10.844 251 2HB SER 34 2HB SER 34 -3.941 3.901 -12.414 252 HG SER 34 HG SER 34 -5.887 2.141 -11.453 253 H SER 35 H SER 35 -1.508 3.241 -12.137 254 HA SER 35 HA SER 35 0.464 3.169 -10.212 255 1HB SER 35 1HB SER 35 1.641 4.869 -11.681 256 2HB SER 35 2HB SER 35 1.054 3.435 -12.521 257 HG SER 35 HG SER 35 0.592 5.531 -13.536 258 H PHE 36 H PHE 36 -1.735 5.820 -11.001 259 HA PHE 36 HA PHE 36 -0.629 7.866 -9.502 260 1HB PHE 36 1HB PHE 36 -3.598 7.361 -9.843 261 2HB PHE 36 2HB PHE 36 -2.818 8.909 -9.539 262 HD1 PHE 36 HD1 PHE 36 -1.339 9.900 -11.325 263 HD2 PHE 36 HD2 PHE 36 -3.854 6.531 -12.035 264 HE1 PHE 36 HE1 PHE 36 -1.177 10.290 -13.748 265 HE2 PHE 36 HE2 PHE 36 -3.690 6.918 -14.458 266 HZ PHE 36 HZ PHE 36 -2.350 8.799 -15.317 267 H ALA 37 H ALA 37 -3.128 5.542 -8.478 268 HA ALA 37 HA ALA 37 -3.349 6.452 -5.823 269 1HB ALA 37 1HB ALA 37 -5.044 5.040 -6.903 270 2HB ALA 37 2HB ALA 37 -4.504 4.346 -5.376 271 3HB ALA 37 3HB ALA 37 -3.916 3.683 -6.901 272 H SER 38 H SER 38 -1.370 3.872 -7.260 273 HA SER 38 HA SER 38 -0.437 2.855 -4.798 274 1HB SER 38 1HB SER 38 1.316 1.726 -6.241 275 2HB SER 38 2HB SER 38 -0.356 1.423 -6.709 276 HG SER 38 HG SER 38 0.883 3.604 -7.903 277 H VAL 39 H VAL 39 0.732 5.422 -6.889 278 HA VAL 39 HA VAL 39 3.259 5.682 -5.530 279 HB VAL 39 HB VAL 39 1.848 7.569 -7.443 280 1HG1 VAL 39 1HG1 VAL 39 4.016 8.712 -7.653 281 2HG1 VAL 39 2HG1 VAL 39 4.686 7.673 -6.396 282 3HG1 VAL 39 3HG1 VAL 39 3.395 8.810 -6.006 283 1HG2 VAL 39 1HG2 VAL 39 2.495 5.436 -8.461 284 2HG2 VAL 39 2HG2 VAL 39 4.148 5.656 -7.888 285 3HG2 VAL 39 3HG2 VAL 39 3.476 6.760 -9.087 286 H GLN 40 H GLN 40 0.131 7.330 -5.475 287 HA GLN 40 HA GLN 40 0.792 9.435 -3.770 288 1HB GLN 40 1HB GLN 40 -1.323 9.254 -5.073 289 2HB GLN 40 2HB GLN 40 -1.869 7.997 -3.972 290 1HG GLN 40 1HG GLN 40 -2.914 10.067 -3.374 291 2HG GLN 40 2HG GLN 40 -1.759 9.633 -2.115 292 1HE2 GLN 40 1HE2 GLN 40 -2.465 11.812 -4.728 293 2HE2 GLN 40 2HE2 GLN 40 -1.266 12.994 -4.333 294 H LEU 41 H LEU 41 -0.211 6.129 -3.058 295 HA LEU 41 HA LEU 41 -0.651 6.462 -0.302 296 1HB LEU 41 1HB LEU 41 -1.022 4.212 -0.231 297 2HB LEU 41 2HB LEU 41 -1.172 4.464 -1.954 298 HG LEU 41 HG LEU 41 1.420 3.822 -1.917 299 1HD1 LEU 41 1HD1 LEU 41 0.323 2.395 0.504 300 2HD1 LEU 41 2HD1 LEU 41 1.584 3.629 0.508 301 3HD1 LEU 41 3HD1 LEU 41 1.877 2.074 -0.269 302 1HD2 LEU 41 1HD2 LEU 41 -0.799 1.785 -1.707 303 2HD2 LEU 41 2HD2 LEU 41 0.793 1.523 -2.420 304 3HD2 LEU 41 3HD2 LEU 41 -0.334 2.654 -3.169 305 H MET 42 H MET 42 2.263 6.125 -2.159 306 HA MET 42 HA MET 42 3.990 5.268 -0.065 307 1HB MET 42 1HB MET 42 4.782 6.891 -2.497 308 2HB MET 42 2HB MET 42 5.805 5.822 -1.547 309 1HG MET 42 1HG MET 42 4.506 3.895 -2.325 310 2HG MET 42 2HG MET 42 3.488 4.979 -3.278 311 1HE MET 42 1HE MET 42 5.515 3.229 -6.105 312 2HE MET 42 2HE MET 42 3.916 3.706 -5.535 313 3HE MET 42 3HE MET 42 4.849 2.505 -4.642 314 H LEU 43 H LEU 43 3.443 8.436 -1.576 315 HA LEU 43 HA LEU 43 5.147 9.945 0.027 316 1HB LEU 43 1HB LEU 43 2.640 10.674 -1.480 317 2HB LEU 43 2HB LEU 43 3.558 11.872 -0.588 318 HG LEU 43 HG LEU 43 5.530 11.408 -2.008 319 1HD1 LEU 43 1HD1 LEU 43 5.072 9.099 -2.620 320 2HD1 LEU 43 2HD1 LEU 43 5.285 10.095 -4.058 321 3HD1 LEU 43 3HD1 LEU 43 3.666 9.609 -3.556 322 1HD2 LEU 43 1HD2 LEU 43 4.675 12.472 -4.040 323 2HD2 LEU 43 2HD2 LEU 43 4.022 13.226 -2.587 324 3HD2 LEU 43 3HD2 LEU 43 3.024 12.120 -3.531 325 H GLY 44 H GLY 44 1.720 9.156 0.467 326 1HA GLY 44 1HA GLY 44 1.382 10.744 2.808 327 2HA GLY 44 2HA GLY 44 0.310 9.467 2.257 328 H ILE 45 H ILE 45 2.225 7.355 2.273 329 HA ILE 45 HA ILE 45 1.993 6.589 5.001 330 HB ILE 45 HB ILE 45 2.886 5.314 2.497 331 1HG1 ILE 45 1HG1 ILE 45 0.654 4.952 3.397 332 2HG1 ILE 45 2HG1 ILE 45 1.549 3.435 3.404 333 1HG2 ILE 45 1HG2 ILE 45 3.989 3.408 3.614 334 2HG2 ILE 45 2HG2 ILE 45 3.985 4.319 5.123 335 3HG2 ILE 45 3HG2 ILE 45 4.912 4.905 3.744 336 1HD1 ILE 45 1HD1 ILE 45 1.089 5.223 5.783 337 2HD1 ILE 45 2HD1 ILE 45 1.971 3.696 5.792 338 3HD1 ILE 45 3HD1 ILE 45 0.245 3.715 5.431 339 H GLU 46 H GLU 46 4.570 7.961 3.091 340 HA GLU 46 HA GLU 46 6.795 7.394 4.640 341 1HB GLU 46 1HB GLU 46 6.903 8.578 2.488 342 2HB GLU 46 2HB GLU 46 6.135 9.985 3.213 343 1HG GLU 46 1HG GLU 46 8.067 10.247 4.714 344 2HG GLU 46 2HG GLU 46 8.836 8.860 3.945 345 H GLU 47 H GLU 47 4.671 10.237 4.913 346 HA GLU 47 HA GLU 47 5.825 11.092 7.377 347 1HB GLU 47 1HB GLU 47 3.951 12.709 7.446 348 2HB GLU 47 2HB GLU 47 4.817 12.730 5.915 349 1HG GLU 47 1HG GLU 47 3.051 11.390 4.891 350 2HG GLU 47 2HG GLU 47 2.183 11.353 6.426 351 H ALA 48 H ALA 48 3.250 8.928 6.514 352 HA ALA 48 HA ALA 48 1.553 9.135 8.687 353 1HB ALA 48 1HB ALA 48 0.763 6.905 8.128 354 2HB ALA 48 2HB ALA 48 2.201 6.623 7.146 355 3HB ALA 48 3HB ALA 48 1.034 7.854 6.666 356 H PHE 49 H PHE 49 4.358 6.875 8.381 357 HA PHE 49 HA PHE 49 4.331 6.799 11.324 358 1HB PHE 49 1HB PHE 49 4.961 4.417 11.307 359 2HB PHE 49 2HB PHE 49 3.365 4.717 10.641 360 HD1 PHE 49 HD2 PHE 49 6.843 3.797 9.805 361 HD2 PHE 49 HD1 PHE 49 2.841 4.155 8.388 362 HE1 PHE 49 HE2 PHE 49 7.431 2.475 7.815 363 HE2 PHE 49 HE1 PHE 49 3.425 2.830 6.406 364 HZ PHE 49 HZ PHE 49 5.722 1.992 6.111 365 H ASP 50 H ASP 50 6.357 6.698 8.419 366 HA ASP 50 HA ASP 50 8.591 7.721 9.802 367 1HB ASP 50 1HB ASP 50 8.594 5.423 10.780 368 2HB ASP 50 2HB ASP 50 8.837 4.769 9.163 369 H ILE 51 H ILE 51 8.402 5.218 7.234 370 HA ILE 51 HA ILE 51 9.373 7.208 5.302 371 HB ILE 51 HB ILE 51 11.085 5.804 4.404 372 1HG1 ILE 51 1HG1 ILE 51 9.991 3.607 4.718 373 2HG1 ILE 51 2HG1 ILE 51 11.668 3.589 5.244 374 1HG2 ILE 51 1HG2 ILE 51 11.360 5.870 7.405 375 2HG2 ILE 51 2HG2 ILE 51 11.787 7.159 6.280 376 3HG2 ILE 51 3HG2 ILE 51 12.680 5.638 6.259 377 1HD1 ILE 51 1HD1 ILE 51 9.218 3.664 6.989 378 2HD1 ILE 51 2HD1 ILE 51 10.871 3.811 7.584 379 3HD1 ILE 51 3HD1 ILE 51 10.352 2.331 6.781 380 H GLU 52 H GLU 52 9.353 6.274 3.035 381 HA GLU 52 HA GLU 52 6.993 4.561 2.684 382 1HB GLU 52 1HB GLU 52 7.197 5.425 0.235 383 2HB GLU 52 2HB GLU 52 6.508 6.460 1.471 384 1HG GLU 52 1HG GLU 52 7.933 7.774 0.100 385 2HG GLU 52 2HG GLU 52 8.696 7.605 1.677 386 H PHE 53 H PHE 53 7.117 3.212 0.608 387 HA PHE 53 HA PHE 53 8.982 1.198 1.136 388 1HB PHE 53 1HB PHE 53 7.257 1.639 -1.310 389 2HB PHE 53 2HB PHE 53 8.114 0.146 -0.942 390 HD1 PHE 53 HD2 PHE 53 7.650 -0.696 1.586 391 HD2 PHE 53 HD1 PHE 53 5.015 1.670 -0.786 392 HE1 PHE 53 HE2 PHE 53 5.745 -1.464 2.941 393 HE2 PHE 53 HE1 PHE 53 3.108 0.906 0.572 394 HZ PHE 53 HZ PHE 53 3.474 -0.665 2.433 395 HA PRO 54 HA PRO 54 12.506 2.752 -1.146 396 1HB PRO 54 1HB PRO 54 14.110 0.594 -0.848 397 2HB PRO 54 2HB PRO 54 13.769 1.701 0.489 398 1HG PRO 54 1HG PRO 54 12.481 -0.939 -0.152 399 2HG PRO 54 2HG PRO 54 13.092 -0.352 1.406 400 1HD PRO 54 1HD PRO 54 10.470 -0.250 0.780 401 2HD PRO 54 2HD PRO 54 11.245 1.009 1.764 402 H ASP 55 H ASP 55 13.629 2.307 -3.087 403 HA ASP 55 HA ASP 55 12.106 1.399 -5.211 404 1HB ASP 55 1HB ASP 55 14.121 1.574 -6.557 405 2HB ASP 55 2HB ASP 55 14.087 2.896 -5.396 406 H ASN 56 H ASN 56 14.381 -0.329 -3.207 407 HA ASN 56 HA ASN 56 14.807 -2.570 -4.835 408 1HB ASN 56 1HB ASN 56 14.980 -2.343 -1.821 409 2HB ASN 56 2HB ASN 56 15.610 -3.687 -2.767 410 1HD2 ASN 56 1HD2 ASN 56 16.083 -0.409 -1.791 411 2HD2 ASN 56 2HD2 ASN 56 17.648 -0.201 -2.486 412 H LEU 57 H LEU 57 11.917 -1.695 -3.320 413 HA LEU 57 HA LEU 57 10.897 -4.369 -3.935 414 1HB LEU 57 1HB LEU 57 9.594 -4.518 -1.896 415 2HB LEU 57 2HB LEU 57 11.303 -4.405 -1.538 416 HG LEU 57 HG LEU 57 10.761 -1.841 -1.211 417 1HD1 LEU 57 1HD1 LEU 57 8.068 -3.123 -0.734 418 2HD1 LEU 57 2HD1 LEU 57 8.455 -1.906 -1.950 419 3HD1 LEU 57 3HD1 LEU 57 8.526 -1.493 -0.238 420 1HD2 LEU 57 1HD2 LEU 57 10.380 -2.265 1.168 421 2HD2 LEU 57 2HD2 LEU 57 11.628 -3.326 0.514 422 3HD2 LEU 57 3HD2 LEU 57 10.005 -3.952 0.811 423 H LEU 58 H LEU 58 10.739 -1.404 -4.893 424 HA LEU 58 HA LEU 58 7.918 -0.829 -4.778 425 1HB LEU 58 1HB LEU 58 10.180 0.341 -6.394 426 2HB LEU 58 2HB LEU 58 8.519 0.858 -6.604 427 HG LEU 58 HG LEU 58 10.146 1.113 -4.069 428 1HD1 LEU 58 1HD1 LEU 58 9.167 3.212 -6.009 429 2HD1 LEU 58 2HD1 LEU 58 10.836 2.678 -5.812 430 3HD1 LEU 58 3HD1 LEU 58 10.019 3.516 -4.494 431 1HD2 LEU 58 1HD2 LEU 58 7.799 0.709 -3.562 432 2HD2 LEU 58 2HD2 LEU 58 7.321 2.000 -4.666 433 3HD2 LEU 58 3HD2 LEU 58 8.232 2.379 -3.205 434 H ASN 59 H ASN 59 8.577 -3.462 -5.806 435 HA ASN 59 HA ASN 59 8.036 -3.377 -8.658 436 1HB ASN 59 1HB ASN 59 8.479 -5.652 -6.709 437 2HB ASN 59 2HB ASN 59 8.055 -5.911 -8.395 438 1HD2 ASN 59 1HD2 ASN 59 10.199 -3.360 -7.244 439 2HD2 ASN 59 2HD2 ASN 59 11.634 -4.000 -7.959 440 H ARG 60 H ARG 60 6.140 -4.142 -9.620 441 HA ARG 60 HA ARG 60 3.754 -3.506 -8.290 442 1HB ARG 60 1HB ARG 60 2.602 -4.388 -10.271 443 2HB ARG 60 2HB ARG 60 3.969 -3.376 -10.722 444 1HG ARG 60 1HG ARG 60 5.307 -5.441 -11.082 445 2HG ARG 60 2HG ARG 60 3.852 -6.389 -10.770 446 1HD ARG 60 1HD ARG 60 4.180 -4.343 -12.971 447 2HD ARG 60 2HD ARG 60 4.279 -6.091 -13.177 448 HE ARG 60 HE ARG 60 1.813 -5.295 -11.982 449 1HH1 ARG 60 1HH1 ARG 60 3.483 -5.539 -15.056 450 2HH1 ARG 60 2HH1 ARG 60 2.016 -5.652 -15.981 451 1HH2 ARG 60 1HH2 ARG 60 -0.105 -5.453 -13.203 452 2HH2 ARG 60 2HH2 ARG 60 -0.015 -5.592 -14.930 453 H LYS 61 H LYS 61 5.511 -6.499 -8.524 454 HA LYS 61 HA LYS 61 3.394 -8.248 -7.799 455 1HB LYS 61 1HB LYS 61 5.090 -9.913 -7.408 456 2HB LYS 61 2HB LYS 61 5.535 -9.001 -8.841 457 1HG LYS 61 1HG LYS 61 7.203 -7.766 -7.603 458 2HG LYS 61 2HG LYS 61 6.694 -8.526 -6.093 459 1HD LYS 61 1HD LYS 61 7.318 -10.741 -7.086 460 2HD LYS 61 2HD LYS 61 7.978 -9.877 -8.474 461 1HE LYS 61 1HE LYS 61 8.896 -9.513 -5.617 462 2HE LYS 61 2HE LYS 61 9.696 -10.535 -6.809 463 1HZ LYS 61 1HZ LYS 61 9.385 -7.588 -6.909 464 2HZ LYS 61 2HZ LYS 61 9.991 -8.515 -8.185 465 3HZ LYS 61 3HZ LYS 61 10.820 -8.459 -6.716 466 H SER 62 H SER 62 5.668 -6.299 -5.977 467 HA SER 62 HA SER 62 5.262 -7.512 -3.450 468 1HB SER 62 1HB SER 62 6.162 -4.673 -4.029 469 2HB SER 62 2HB SER 62 6.482 -5.613 -2.569 470 HG SER 62 HG SER 62 8.167 -6.376 -3.546 471 H PHE 63 H PHE 63 4.049 -4.446 -4.818 472 HA PHE 63 HA PHE 63 2.221 -3.841 -2.789 473 1HB PHE 63 1HB PHE 63 2.184 -3.137 -5.732 474 2HB PHE 63 2HB PHE 63 1.049 -2.471 -4.562 475 HD1 PHE 63 HD1 PHE 63 1.806 -0.929 -2.825 476 HD2 PHE 63 HD2 PHE 63 4.482 -2.411 -5.791 477 HE1 PHE 63 HE1 PHE 63 3.420 0.834 -2.246 478 HE2 PHE 63 HE2 PHE 63 6.097 -0.651 -5.214 479 HZ PHE 63 HZ PHE 63 5.568 0.974 -3.439 480 H ALA 64 H ALA 64 1.867 -5.864 -5.666 481 HA ALA 64 HA ALA 64 -0.877 -6.365 -5.553 482 1HB ALA 64 1HB ALA 64 -0.351 -8.441 -6.783 483 2HB ALA 64 2HB ALA 64 1.362 -8.190 -6.443 484 3HB ALA 64 3HB ALA 64 0.483 -7.037 -7.449 485 H SER 65 H SER 65 1.735 -7.510 -3.593 486 HA SER 65 HA SER 65 -0.069 -9.388 -2.215 487 1HB SER 65 1HB SER 65 2.961 -9.501 -2.254 488 2HB SER 65 2HB SER 65 1.847 -10.741 -1.676 489 HG SER 65 HG SER 65 2.263 -9.878 -4.349 490 H ILE 66 H ILE 66 -0.792 -7.420 -1.025 491 HA ILE 66 HA ILE 66 0.770 -5.813 0.577 492 HB ILE 66 HB ILE 66 -1.961 -6.926 1.270 493 1HG1 ILE 66 1HG1 ILE 66 -1.119 -4.323 -0.036 494 2HG1 ILE 66 2HG1 ILE 66 -1.976 -5.652 -0.809 495 1HG2 ILE 66 1HG2 ILE 66 -0.486 -4.582 2.484 496 2HG2 ILE 66 2HG2 ILE 66 -0.845 -6.116 3.280 497 3HG2 ILE 66 3HG2 ILE 66 -2.157 -5.031 2.826 498 1HD1 ILE 66 1HD1 ILE 66 -3.490 -3.840 -0.288 499 2HD1 ILE 66 2HD1 ILE 66 -3.034 -3.915 1.413 500 3HD1 ILE 66 3HD1 ILE 66 -3.892 -5.265 0.670 501 H LYS 67 H LYS 67 -0.667 -8.936 1.449 502 HA LYS 67 HA LYS 67 0.176 -9.209 4.033 503 1HB LYS 67 1HB LYS 67 0.130 -11.663 3.680 504 2HB LYS 67 2HB LYS 67 -1.281 -10.850 3.030 505 1HG LYS 67 1HG LYS 67 0.992 -11.395 1.177 506 2HG LYS 67 2HG LYS 67 -0.007 -12.751 1.692 507 1HD LYS 67 1HD LYS 67 -2.011 -11.559 0.888 508 2HD LYS 67 2HD LYS 67 -0.993 -10.232 0.332 509 1HE LYS 67 1HE LYS 67 0.166 -11.782 -1.194 510 2HE LYS 67 2HE LYS 67 -0.879 -13.091 -0.647 511 1HZ LYS 67 1HZ LYS 67 -1.602 -12.106 -2.763 512 2HZ LYS 67 2HZ LYS 67 -1.831 -10.619 -1.997 513 3HZ LYS 67 3HZ LYS 67 -2.779 -11.948 -1.558 514 H ALA 68 H ALA 68 2.116 -9.589 1.135 515 HA ALA 68 HA ALA 68 4.379 -10.707 2.550 516 1HB ALA 68 1HB ALA 68 5.497 -10.661 0.378 517 2HB ALA 68 2HB ALA 68 4.154 -9.743 -0.304 518 3HB ALA 68 3HB ALA 68 3.899 -11.397 0.249 519 H ILE 69 H ILE 69 3.657 -7.650 0.863 520 HA ILE 69 HA ILE 69 6.232 -6.535 1.323 521 HB ILE 69 HB ILE 69 4.812 -5.873 -0.581 522 1HG1 ILE 69 1HG1 ILE 69 5.501 -3.563 1.261 523 2HG1 ILE 69 2HG1 ILE 69 6.619 -4.370 0.166 524 1HG2 ILE 69 1HG2 ILE 69 2.644 -5.883 0.543 525 2HG2 ILE 69 2HG2 ILE 69 2.927 -4.347 -0.274 526 3HG2 ILE 69 3HG2 ILE 69 3.110 -4.461 1.476 527 1HD1 ILE 69 1HD1 ILE 69 4.182 -2.790 -0.640 528 2HD1 ILE 69 2HD1 ILE 69 5.295 -3.601 -1.743 529 3HD1 ILE 69 3HD1 ILE 69 5.860 -2.258 -0.749 530 H GLU 70 H GLU 70 3.206 -6.406 3.071 531 HA GLU 70 HA GLU 70 3.693 -4.137 4.651 532 1HB GLU 70 1HB GLU 70 1.910 -4.946 6.082 533 2HB GLU 70 2HB GLU 70 1.477 -5.203 4.405 534 1HG GLU 70 1HG GLU 70 0.986 -7.292 4.947 535 2HG GLU 70 2HG GLU 70 2.708 -7.581 5.161 536 H ASP 71 H ASP 71 4.755 -7.447 4.929 537 HA ASP 71 HA ASP 71 5.792 -7.090 7.603 538 1HB ASP 71 1HB ASP 71 4.921 -9.294 6.740 539 2HB ASP 71 2HB ASP 71 6.333 -9.377 5.692 540 H THR 72 H THR 72 6.886 -6.688 4.357 541 HA THR 72 HA THR 72 9.679 -7.015 4.825 542 HB THR 72 HB THR 72 8.367 -5.460 2.578 543 HG1 THR 72 HG1 THR 72 8.231 -8.081 3.161 544 1HG2 THR 72 1HG2 THR 72 10.401 -6.046 1.330 545 2HG2 THR 72 2HG2 THR 72 11.048 -6.854 2.757 546 3HG2 THR 72 3HG2 THR 72 10.792 -5.109 2.772 547 H VAL 73 H VAL 73 7.502 -4.218 4.798 548 HA VAL 73 HA VAL 73 9.454 -2.201 4.931 549 HB VAL 73 HB VAL 73 7.070 -1.750 4.448 550 1HG1 VAL 73 1HG1 VAL 73 6.651 -2.259 7.395 551 2HG1 VAL 73 2HG1 VAL 73 6.036 -3.238 6.063 552 3HG1 VAL 73 3HG1 VAL 73 5.449 -1.592 6.289 553 1HG2 VAL 73 1HG2 VAL 73 8.143 -0.205 6.817 554 2HG2 VAL 73 2HG2 VAL 73 6.881 0.346 5.714 555 3HG2 VAL 73 3HG2 VAL 73 8.522 0.096 5.121 556 H LYS 74 H LYS 74 8.158 -4.317 7.374 557 HA LYS 74 HA LYS 74 8.855 -2.935 9.709 558 1HB LYS 74 1HB LYS 74 8.721 -5.907 9.155 559 2HB LYS 74 2HB LYS 74 8.872 -5.211 10.764 560 1HG LYS 74 1HG LYS 74 6.717 -4.253 10.666 561 2HG LYS 74 2HG LYS 74 6.593 -4.520 8.926 562 1HD LYS 74 1HD LYS 74 5.243 -6.121 10.244 563 2HD LYS 74 2HD LYS 74 6.469 -6.908 9.253 564 1HE LYS 74 1HE LYS 74 7.928 -7.063 11.248 565 2HE LYS 74 2HE LYS 74 6.629 -6.370 12.218 566 1HZ LYS 74 1HZ LYS 74 6.699 -8.791 12.345 567 2HZ LYS 74 2HZ LYS 74 6.438 -8.901 10.678 568 3HZ LYS 74 3HZ LYS 74 5.243 -8.244 11.683 569 H LEU 75 H LEU 75 10.773 -4.805 7.481 570 HA LEU 75 HA LEU 75 13.015 -5.305 9.121 571 1HB LEU 75 1HB LEU 75 12.926 -4.953 6.116 572 2HB LEU 75 2HB LEU 75 14.214 -5.726 7.025 573 HG LEU 75 HG LEU 75 11.372 -6.737 6.791 574 1HD1 LEU 75 1HD1 LEU 75 12.352 -8.550 5.475 575 2HD1 LEU 75 2HD1 LEU 75 13.931 -7.768 5.567 576 3HD1 LEU 75 3HD1 LEU 75 12.605 -6.981 4.711 577 1HD2 LEU 75 1HD2 LEU 75 13.773 -7.963 8.158 578 2HD2 LEU 75 2HD2 LEU 75 12.202 -8.737 7.939 579 3HD2 LEU 75 3HD2 LEU 75 12.341 -7.302 8.952 580 H ILE 76 H ILE 76 12.030 -2.563 7.196 581 HA ILE 76 HA ILE 76 14.487 -1.169 7.135 582 HB ILE 76 HB ILE 76 11.699 0.027 7.090 583 1HG1 ILE 76 1HG1 ILE 76 13.395 -0.923 4.758 584 2HG1 ILE 76 2HG1 ILE 76 12.008 -1.793 5.409 585 1HG2 ILE 76 1HG2 ILE 76 12.748 1.853 5.825 586 2HG2 ILE 76 2HG2 ILE 76 14.321 1.076 6.004 587 3HG2 ILE 76 3HG2 ILE 76 13.471 1.681 7.424 588 1HD1 ILE 76 1HD1 ILE 76 11.386 -0.599 3.416 589 2HD1 ILE 76 2HD1 ILE 76 11.968 0.919 4.101 590 3HD1 ILE 76 3HD1 ILE 76 10.569 0.109 4.809 591 H LEU 77 H LEU 77 11.835 -1.280 9.433 592 HA LEU 77 HA LEU 77 12.809 0.823 11.101 593 1HB LEU 77 1HB LEU 77 10.727 -1.321 11.480 594 2HB LEU 77 2HB LEU 77 11.173 -0.241 12.786 595 HG LEU 77 HG LEU 77 9.138 0.527 11.687 596 1HD1 LEU 77 1HD1 LEU 77 10.622 2.203 12.647 597 2HD1 LEU 77 2HD1 LEU 77 9.794 2.833 11.224 598 3HD1 LEU 77 3HD1 LEU 77 11.484 2.339 11.112 599 1HD2 LEU 77 1HD2 LEU 77 10.801 0.787 9.179 600 2HD2 LEU 77 2HD2 LEU 77 9.126 1.301 9.379 601 3HD2 LEU 77 3HD2 LEU 77 9.538 -0.412 9.457 602 H ASP 78 H ASP 78 13.355 -2.616 10.893 603 HA ASP 78 HA ASP 78 14.640 -2.821 13.465 604 1HB ASP 78 1HB ASP 78 13.574 -4.789 12.424 605 2HB ASP 78 2HB ASP 78 14.730 -4.714 11.097 606 H GLY 79 H GLY 79 15.674 -2.454 10.115 607 1HA GLY 79 1HA GLY 79 18.464 -2.101 11.027 608 2HA GLY 79 2HA GLY 79 17.985 -2.587 9.406 609 H LYS 80 H LYS 80 16.819 0.018 11.495 610 HA LYS 80 HA LYS 80 16.250 1.915 9.640 611 1HB LYS 80 1HB LYS 80 17.290 2.170 12.455 612 2HB LYS 80 2HB LYS 80 16.907 3.601 11.508 613 1HG LYS 80 1HG LYS 80 14.937 1.379 12.006 614 2HG LYS 80 2HG LYS 80 15.095 2.796 13.049 615 1HD LYS 80 1HD LYS 80 14.490 2.887 10.085 616 2HD LYS 80 2HD LYS 80 13.288 3.023 11.367 617 1HE LYS 80 1HE LYS 80 14.376 5.040 12.202 618 2HE LYS 80 2HE LYS 80 15.623 4.894 10.964 619 1HZ LYS 80 1HZ LYS 80 13.859 6.512 10.432 620 2HZ LYS 80 2HZ LYS 80 12.737 5.252 10.384 621 3HZ LYS 80 3HZ LYS 80 14.008 5.294 9.272 622 H GLU 81 H GLU 81 19.280 2.032 11.478 623 HA GLU 81 HA GLU 81 20.564 3.339 9.163 624 1HB GLU 81 1HB GLU 81 21.999 4.482 10.947 625 2HB GLU 81 2HB GLU 81 20.331 5.019 10.800 626 1HG GLU 81 1HG GLU 81 19.782 3.450 12.703 627 2HG GLU 81 2HG GLU 81 21.521 3.257 12.928 628 H ALA 82 H ALA 82 20.458 0.533 9.696 629 HA ALA 82 HA ALA 82 23.279 -0.065 10.334 630 1HB ALA 82 1HB ALA 82 20.886 -1.915 10.357 631 2HB ALA 82 2HB ALA 82 21.660 -1.208 11.775 632 3HB ALA 82 3HB ALA 82 22.543 -2.359 10.773 633 H ALA 83 H ALA 83 21.538 0.660 7.762 634 HA ALA 83 HA ALA 83 22.111 -1.587 6.029 635 1HB ALA 83 1HB ALA 83 21.004 -0.258 4.294 636 2HB ALA 83 2HB ALA 83 20.930 1.122 5.390 637 3HB ALA 83 3HB ALA 83 20.021 -0.345 5.758 Start of MODEL 8 1 HA MET 1 HA MET 1 2.067 0.799 9.014 2 1HB MET 1 1HB MET 1 3.258 -1.646 10.334 3 2HB MET 1 2HB MET 1 3.700 -1.128 8.712 4 1HG MET 1 1HG MET 1 4.592 0.929 9.524 5 2HG MET 1 2HG MET 1 3.949 0.634 11.135 6 1HE MET 1 1HE MET 1 7.450 -1.684 9.233 7 2HE MET 1 2HE MET 1 6.664 -0.292 8.489 8 3HE MET 1 3HE MET 1 5.789 -1.815 8.655 9 H ASN 2 H ASN 2 1.389 -2.671 9.717 10 HA ASN 2 HA ASN 2 0.768 -3.324 7.101 11 1HB ASN 2 1HB ASN 2 -0.297 -5.350 7.957 12 2HB ASN 2 2HB ASN 2 1.191 -5.013 8.829 13 1HD2 ASN 2 1HD2 ASN 2 -1.043 -6.650 9.629 14 2HD2 ASN 2 2HD2 ASN 2 -1.637 -5.990 11.111 15 H ALA 3 H ALA 3 -1.518 -2.361 9.657 16 HA ALA 3 HA ALA 3 -3.769 -2.385 7.855 17 1HB ALA 3 1HB ALA 3 -5.033 -1.484 9.752 18 2HB ALA 3 2HB ALA 3 -3.533 -1.250 10.651 19 3HB ALA 3 3HB ALA 3 -4.070 -2.880 10.238 20 H THR 4 H THR 4 -1.651 0.009 9.315 21 HA THR 4 HA THR 4 -2.841 2.395 8.626 22 HB THR 4 HB THR 4 0.133 1.831 8.492 23 HG1 THR 4 HG1 THR 4 -1.495 2.414 10.769 24 1HG2 THR 4 1HG2 THR 4 -1.386 4.338 9.242 25 2HG2 THR 4 2HG2 THR 4 -0.501 4.072 7.739 26 3HG2 THR 4 3HG2 THR 4 0.368 4.143 9.274 27 H ILE 5 H ILE 5 -0.733 0.358 6.681 28 HA ILE 5 HA ILE 5 -0.393 2.073 4.493 29 HB ILE 5 HB ILE 5 -0.193 -0.939 4.686 30 1HG1 ILE 5 1HG1 ILE 5 2.060 1.075 4.527 31 2HG1 ILE 5 2HG1 ILE 5 1.340 0.624 6.066 32 1HG2 ILE 5 1HG2 ILE 5 -0.557 -0.322 2.358 33 2HG2 ILE 5 2HG2 ILE 5 1.109 -0.844 2.598 34 3HG2 ILE 5 3HG2 ILE 5 0.739 0.873 2.451 35 1HD1 ILE 5 1HD1 ILE 5 3.347 -0.630 5.713 36 2HD1 ILE 5 2HD1 ILE 5 2.771 -1.198 4.144 37 3HD1 ILE 5 3HD1 ILE 5 1.964 -1.724 5.623 38 H ARG 6 H ARG 6 -2.574 -0.789 4.770 39 HA ARG 6 HA ARG 6 -3.907 -0.238 2.335 40 1HB ARG 6 1HB ARG 6 -5.669 -1.772 3.113 41 2HB ARG 6 2HB ARG 6 -4.064 -2.450 3.345 42 1HG ARG 6 1HG ARG 6 -4.152 -2.185 5.671 43 2HG ARG 6 2HG ARG 6 -5.489 -1.037 5.580 44 1HD ARG 6 1HD ARG 6 -5.698 -3.948 4.800 45 2HD ARG 6 2HD ARG 6 -6.135 -3.315 6.388 46 HE ARG 6 HE ARG 6 -7.594 -1.774 4.729 47 1HH1 ARG 6 1HH1 ARG 6 -7.222 -5.253 4.951 48 2HH1 ARG 6 2HH1 ARG 6 -8.844 -5.577 4.418 49 1HH2 ARG 6 1HH2 ARG 6 -9.739 -2.221 4.032 50 2HH2 ARG 6 2HH2 ARG 6 -10.253 -3.873 3.890 51 H GLU 7 H GLU 7 -4.210 1.073 5.510 52 HA GLU 7 HA GLU 7 -6.860 2.096 5.251 53 1HB GLU 7 1HB GLU 7 -5.857 1.649 7.434 54 2HB GLU 7 2HB GLU 7 -4.617 2.856 7.134 55 1HG GLU 7 1HG GLU 7 -6.317 4.608 7.110 56 2HG GLU 7 2HG GLU 7 -7.572 3.400 7.395 57 H ILE 8 H ILE 8 -3.699 3.242 4.267 58 HA ILE 8 HA ILE 8 -4.558 5.968 3.982 59 HB ILE 8 HB ILE 8 -2.103 5.194 4.231 60 1HG1 ILE 8 1HG1 ILE 8 -2.920 7.232 2.137 61 2HG1 ILE 8 2HG1 ILE 8 -2.791 7.516 3.869 62 1HG2 ILE 8 1HG2 ILE 8 -0.884 4.824 2.154 63 2HG2 ILE 8 2HG2 ILE 8 -2.386 4.900 1.234 64 3HG2 ILE 8 3HG2 ILE 8 -2.114 3.581 2.369 65 1HD1 ILE 8 1HD1 ILE 8 -0.515 6.826 2.034 66 2HD1 ILE 8 2HD1 ILE 8 -0.397 7.160 3.762 67 3HD1 ILE 8 3HD1 ILE 8 -0.903 8.431 2.650 68 H LEU 9 H LEU 9 -4.472 3.129 1.918 69 HA LEU 9 HA LEU 9 -4.897 4.311 -0.574 70 1HB LEU 9 1HB LEU 9 -5.733 1.657 0.570 71 2HB LEU 9 2HB LEU 9 -6.246 2.126 -1.037 72 HG LEU 9 HG LEU 9 -4.308 0.705 -1.207 73 1HD1 LEU 9 1HD1 LEU 9 -4.497 2.504 -2.842 74 2HD1 LEU 9 2HD1 LEU 9 -2.810 2.136 -2.493 75 3HD1 LEU 9 3HD1 LEU 9 -3.561 3.570 -1.794 76 1HD2 LEU 9 1HD2 LEU 9 -3.355 1.081 1.010 77 2HD2 LEU 9 2HD2 LEU 9 -2.866 2.708 0.533 78 3HD2 LEU 9 3HD2 LEU 9 -2.144 1.303 -0.253 79 H ALA 10 H ALA 10 -7.117 3.709 2.056 80 HA ALA 10 HA ALA 10 -9.547 4.093 0.716 81 1HB ALA 10 1HB ALA 10 -10.499 4.499 2.928 82 2HB ALA 10 2HB ALA 10 -8.880 4.705 3.597 83 3HB ALA 10 3HB ALA 10 -9.379 3.137 2.965 84 H LYS 11 H LYS 11 -7.185 6.395 1.868 85 HA LYS 11 HA LYS 11 -9.030 8.603 1.236 86 1HB LYS 11 1HB LYS 11 -7.297 9.938 2.695 87 2HB LYS 11 2HB LYS 11 -8.573 8.994 3.447 88 1HG LYS 11 1HG LYS 11 -7.005 7.175 3.872 89 2HG LYS 11 2HG LYS 11 -5.719 8.082 3.073 90 1HD LYS 11 1HD LYS 11 -5.779 9.786 4.766 91 2HD LYS 11 2HD LYS 11 -7.227 9.089 5.491 92 1HE LYS 11 1HE LYS 11 -4.565 7.669 5.343 93 2HE LYS 11 2HE LYS 11 -5.103 8.614 6.730 94 1HZ LYS 11 1HZ LYS 11 -7.061 7.123 6.853 95 2HZ LYS 11 2HZ LYS 11 -5.593 6.345 7.151 96 3HZ LYS 11 3HZ LYS 11 -6.364 6.149 5.655 97 H PHE 12 H PHE 12 -5.497 7.948 1.192 98 HA PHE 12 HA PHE 12 -5.073 10.042 -0.741 99 1HB PHE 12 1HB PHE 12 -3.255 8.021 0.565 100 2HB PHE 12 2HB PHE 12 -2.687 9.057 -0.739 101 HD1 PHE 12 HD1 PHE 12 -4.544 9.383 2.502 102 HD2 PHE 12 HD2 PHE 12 -1.609 10.994 -0.134 103 HE1 PHE 12 HE1 PHE 12 -4.060 11.163 4.130 104 HE2 PHE 12 HE2 PHE 12 -1.124 12.776 1.491 105 HZ PHE 12 HZ PHE 12 -2.350 12.861 3.627 106 H GLY 13 H GLY 13 -5.470 6.575 -0.833 107 1HA GLY 13 1HA GLY 13 -4.306 6.185 -3.419 108 2HA GLY 13 2HA GLY 13 -5.310 5.039 -2.543 109 H GLN 14 H GLN 14 -5.149 6.875 -5.281 110 HA GLN 14 HA GLN 14 -7.943 7.557 -5.516 111 1HB GLN 14 1HB GLN 14 -6.048 8.843 -6.606 112 2HB GLN 14 2HB GLN 14 -5.868 7.495 -7.722 113 1HG GLN 14 1HG GLN 14 -8.230 7.835 -8.428 114 2HG GLN 14 2HG GLN 14 -8.292 9.261 -7.395 115 1HE2 GLN 14 1HE2 GLN 14 -7.019 7.884 -10.314 116 2HE2 GLN 14 2HE2 GLN 14 -6.451 9.361 -11.007 117 H LEU 15 H LEU 15 -8.052 5.044 -4.874 118 HA LEU 15 HA LEU 15 -8.142 3.277 -7.155 119 1HB LEU 15 1HB LEU 15 -7.591 2.585 -4.771 120 2HB LEU 15 2HB LEU 15 -9.280 2.847 -4.383 121 HG LEU 15 HG LEU 15 -9.910 1.081 -6.011 122 1HD1 LEU 15 1HD1 LEU 15 -6.934 0.619 -6.226 123 2HD1 LEU 15 2HD1 LEU 15 -7.976 1.251 -7.500 124 3HD1 LEU 15 3HD1 LEU 15 -8.199 -0.398 -6.919 125 1HD2 LEU 15 1HD2 LEU 15 -9.135 -0.816 -4.669 126 2HD2 LEU 15 2HD2 LEU 15 -9.646 0.528 -3.649 127 3HD2 LEU 15 3HD2 LEU 15 -7.928 0.215 -3.901 128 HA PRO 16 HA PRO 16 -12.252 4.726 -8.210 129 1HB PRO 16 1HB PRO 16 -12.757 3.041 -10.261 130 2HB PRO 16 2HB PRO 16 -11.593 4.364 -10.400 131 1HG PRO 16 1HG PRO 16 -11.112 1.448 -9.951 132 2HG PRO 16 2HG PRO 16 -10.211 2.590 -10.965 133 1HD PRO 16 1HD PRO 16 -9.422 1.781 -8.450 134 2HD PRO 16 2HD PRO 16 -8.925 3.309 -9.210 135 H THR 17 H THR 17 -11.453 1.726 -6.947 136 HA THR 17 HA THR 17 -14.254 0.905 -6.636 137 HB THR 17 HB THR 17 -11.711 -0.679 -6.979 138 HG1 THR 17 HG1 THR 17 -12.455 -0.774 -8.936 139 1HG2 THR 17 1HG2 THR 17 -13.006 -2.719 -6.611 140 2HG2 THR 17 2HG2 THR 17 -14.406 -1.746 -6.158 141 3HG2 THR 17 3HG2 THR 17 -12.947 -1.712 -5.166 142 HA PRO 18 HA PRO 18 -13.634 1.730 -2.330 143 1HB PRO 18 1HB PRO 18 -15.346 -0.184 -1.266 144 2HB PRO 18 2HB PRO 18 -15.844 1.399 -1.868 145 1HG PRO 18 1HG PRO 18 -15.947 -1.262 -3.226 146 2HG PRO 18 2HG PRO 18 -17.122 0.067 -3.264 147 1HD PRO 18 1HD PRO 18 -15.434 -0.393 -5.309 148 2HD PRO 18 2HD PRO 18 -15.912 1.252 -4.856 149 H VAL 19 H VAL 19 -11.911 1.185 -1.177 150 HA VAL 19 HA VAL 19 -10.421 -1.163 -1.442 151 HB VAL 19 HB VAL 19 -10.497 0.663 0.983 152 1HG1 VAL 19 1HG1 VAL 19 -9.314 -1.425 1.425 153 2HG1 VAL 19 2HG1 VAL 19 -8.179 -0.078 1.347 154 3HG1 VAL 19 3HG1 VAL 19 -8.322 -1.189 -0.017 155 1HG2 VAL 19 1HG2 VAL 19 -10.130 1.954 -1.054 156 2HG2 VAL 19 2HG2 VAL 19 -8.820 0.870 -1.527 157 3HG2 VAL 19 3HG2 VAL 19 -8.651 1.884 -0.093 158 H ASP 20 H ASP 20 -13.193 -0.433 0.423 159 HA ASP 20 HA ASP 20 -13.194 -2.309 2.454 160 1HB ASP 20 1HB ASP 20 -14.842 -0.514 2.220 161 2HB ASP 20 2HB ASP 20 -15.503 -1.281 0.784 162 H THR 21 H THR 21 -13.574 -2.820 -0.966 163 HA THR 21 HA THR 21 -14.869 -5.406 -0.618 164 HB THR 21 HB THR 21 -15.461 -3.728 -2.475 165 HG1 THR 21 HG1 THR 21 -15.572 -6.336 -2.368 166 1HG2 THR 21 1HG2 THR 21 -14.173 -3.900 -4.542 167 2HG2 THR 21 2HG2 THR 21 -13.005 -4.956 -3.748 168 3HG2 THR 21 3HG2 THR 21 -13.162 -3.274 -3.240 169 H ILE 22 H ILE 22 -11.689 -4.171 -0.938 170 HA ILE 22 HA ILE 22 -10.655 -6.802 -1.792 171 HB ILE 22 HB ILE 22 -8.511 -5.630 -2.275 172 1HG1 ILE 22 1HG1 ILE 22 -10.121 -3.115 -1.735 173 2HG1 ILE 22 2HG1 ILE 22 -8.789 -3.714 -0.753 174 1HG2 ILE 22 1HG2 ILE 22 -9.249 -4.546 -4.353 175 2HG2 ILE 22 2HG2 ILE 22 -10.909 -4.531 -3.753 176 3HG2 ILE 22 3HG2 ILE 22 -10.101 -6.066 -4.074 177 1HD1 ILE 22 1HD1 ILE 22 -8.591 -2.774 -3.607 178 2HD1 ILE 22 2HD1 ILE 22 -7.256 -3.358 -2.615 179 3HD1 ILE 22 3HD1 ILE 22 -8.098 -1.872 -2.174 180 H ALA 23 H ALA 23 -8.258 -7.035 -0.836 181 HA ALA 23 HA ALA 23 -7.909 -6.226 1.887 182 1HB ALA 23 1HB ALA 23 -8.686 -9.105 1.366 183 2HB ALA 23 2HB ALA 23 -9.666 -7.909 2.215 184 3HB ALA 23 3HB ALA 23 -8.136 -8.446 2.909 185 H ASP 24 H ASP 24 -6.061 -7.691 2.873 186 HA ASP 24 HA ASP 24 -3.824 -7.495 1.135 187 1HB ASP 24 1HB ASP 24 -2.544 -8.469 2.985 188 2HB ASP 24 2HB ASP 24 -3.646 -7.235 3.587 189 H GLU 25 H GLU 25 -5.959 -10.087 2.051 190 HA GLU 25 HA GLU 25 -4.406 -12.156 0.770 191 1HB GLU 25 1HB GLU 25 -7.119 -12.057 2.080 192 2HB GLU 25 2HB GLU 25 -6.593 -13.479 1.188 193 1HG GLU 25 1HG GLU 25 -5.052 -12.284 3.489 194 2HG GLU 25 2HG GLU 25 -6.236 -13.582 3.661 195 H ALA 26 H ALA 26 -6.125 -9.672 -0.438 196 HA ALA 26 HA ALA 26 -7.013 -11.183 -2.809 197 1HB ALA 26 1HB ALA 26 -8.632 -9.401 -3.221 198 2HB ALA 26 2HB ALA 26 -8.072 -8.541 -1.787 199 3HB ALA 26 3HB ALA 26 -8.874 -10.103 -1.620 200 H ASP 27 H ASP 27 -6.840 -9.933 -4.856 201 HA ASP 27 HA ASP 27 -4.231 -8.644 -4.986 202 1HB ASP 27 1HB ASP 27 -6.154 -9.426 -7.200 203 2HB ASP 27 2HB ASP 27 -4.515 -8.827 -7.435 204 H LEU 28 H LEU 28 -4.439 -6.611 -4.207 205 HA LEU 28 HA LEU 28 -6.650 -4.957 -4.314 206 1HB LEU 28 1HB LEU 28 -3.722 -4.249 -4.117 207 2HB LEU 28 2HB LEU 28 -4.997 -3.056 -3.973 208 HG LEU 28 HG LEU 28 -5.890 -4.406 -2.017 209 1HD1 LEU 28 1HD1 LEU 28 -4.264 -5.872 -0.870 210 2HD1 LEU 28 2HD1 LEU 28 -3.220 -5.780 -2.288 211 3HD1 LEU 28 3HD1 LEU 28 -4.815 -6.521 -2.412 212 1HD2 LEU 28 1HD2 LEU 28 -4.675 -2.325 -1.702 213 2HD2 LEU 28 2HD2 LEU 28 -3.138 -3.186 -1.780 214 3HD2 LEU 28 3HD2 LEU 28 -4.248 -3.483 -0.443 215 H TYR 29 H TYR 29 -3.987 -5.195 -6.626 216 HA TYR 29 HA TYR 29 -4.632 -2.911 -8.123 217 1HB TYR 29 1HB TYR 29 -3.246 -3.974 -9.934 218 2HB TYR 29 2HB TYR 29 -2.451 -3.818 -8.373 219 HD1 TYR 29 HD1 TYR 29 -3.850 -6.185 -10.814 220 HD2 TYR 29 HD2 TYR 29 -1.891 -5.778 -7.054 221 HE1 TYR 29 HE1 TYR 29 -3.294 -8.580 -10.848 222 HE2 TYR 29 HE2 TYR 29 -1.332 -8.170 -7.083 223 HH TYR 29 HH TYR 29 -2.142 -10.237 -8.112 224 H ALA 30 H ALA 30 -6.031 -6.081 -8.122 225 HA ALA 30 HA ALA 30 -7.173 -6.076 -10.707 226 1HB ALA 30 1HB ALA 30 -8.177 -7.449 -8.207 227 2HB ALA 30 2HB ALA 30 -6.996 -8.105 -9.340 228 3HB ALA 30 3HB ALA 30 -8.658 -7.826 -9.862 229 H ALA 31 H ALA 31 -8.073 -4.545 -7.713 230 HA ALA 31 HA ALA 31 -10.764 -3.892 -8.391 231 1HB ALA 31 1HB ALA 31 -10.631 -2.305 -6.528 232 2HB ALA 31 2HB ALA 31 -8.883 -2.533 -6.454 233 3HB ALA 31 3HB ALA 31 -9.964 -3.874 -6.077 234 H GLY 32 H GLY 32 -7.743 -2.736 -9.413 235 1HA GLY 32 1HA GLY 32 -7.733 -1.428 -11.471 236 2HA GLY 32 2HA GLY 32 -9.054 -0.477 -10.808 237 H LEU 33 H LEU 33 -6.021 -1.507 -9.280 238 HA LEU 33 HA LEU 33 -5.570 1.205 -8.362 239 1HB LEU 33 1HB LEU 33 -5.198 -0.760 -6.881 240 2HB LEU 33 2HB LEU 33 -3.893 -1.276 -7.932 241 HG LEU 33 HG LEU 33 -2.665 0.818 -7.393 242 1HD1 LEU 33 1HD1 LEU 33 -3.407 2.192 -5.509 243 2HD1 LEU 33 2HD1 LEU 33 -4.906 1.269 -5.424 244 3HD1 LEU 33 3HD1 LEU 33 -4.552 2.249 -6.848 245 1HD2 LEU 33 1HD2 LEU 33 -2.197 -1.237 -6.162 246 2HD2 LEU 33 2HD2 LEU 33 -3.461 -0.843 -4.999 247 3HD2 LEU 33 3HD2 LEU 33 -2.025 0.174 -5.121 248 H SER 34 H SER 34 -4.573 2.622 -9.611 249 HA SER 34 HA SER 34 -2.716 1.724 -11.678 250 1HB SER 34 1HB SER 34 -4.463 3.316 -12.349 251 2HB SER 34 2HB SER 34 -3.910 4.461 -11.129 252 HG SER 34 HG SER 34 -3.071 4.955 -13.194 253 H SER 35 H SER 35 -0.637 2.763 -11.909 254 HA SER 35 HA SER 35 0.838 2.672 -9.529 255 1HB SER 35 1HB SER 35 1.732 2.208 -11.836 256 2HB SER 35 2HB SER 35 1.731 3.946 -12.130 257 HG SER 35 HG SER 35 3.070 4.006 -10.110 258 H PHE 36 H PHE 36 -0.827 5.293 -11.060 259 HA PHE 36 HA PHE 36 0.585 7.436 -9.835 260 1HB PHE 36 1HB PHE 36 -2.289 7.329 -10.803 261 2HB PHE 36 2HB PHE 36 -1.398 8.796 -10.407 262 HD1 PHE 36 HD2 PHE 36 0.450 9.558 -11.849 263 HD2 PHE 36 HD1 PHE 36 -1.947 6.192 -12.885 264 HE1 PHE 36 HE2 PHE 36 1.273 9.685 -14.165 265 HE2 PHE 36 HE1 PHE 36 -1.127 6.317 -15.200 266 HZ PHE 36 HZ PHE 36 0.483 8.065 -15.843 267 H ALA 37 H ALA 37 -2.338 5.624 -8.968 268 HA ALA 37 HA ALA 37 -2.916 7.027 -6.589 269 1HB ALA 37 1HB ALA 37 -3.647 4.183 -7.308 270 2HB ALA 37 2HB ALA 37 -4.558 5.621 -7.768 271 3HB ALA 37 3HB ALA 37 -4.413 5.177 -6.067 272 H SER 38 H SER 38 -0.812 4.297 -7.300 273 HA SER 38 HA SER 38 -0.395 3.562 -4.577 274 1HB SER 38 1HB SER 38 1.499 2.204 -5.483 275 2HB SER 38 2HB SER 38 -0.035 1.908 -6.304 276 HG SER 38 HG SER 38 2.299 3.066 -7.244 277 H VAL 39 H VAL 39 1.463 5.527 -6.907 278 HA VAL 39 HA VAL 39 3.623 6.165 -5.246 279 HB VAL 39 HB VAL 39 2.305 7.853 -7.394 280 1HG1 VAL 39 1HG1 VAL 39 4.981 8.269 -6.043 281 2HG1 VAL 39 2HG1 VAL 39 3.564 9.306 -5.884 282 3HG1 VAL 39 3HG1 VAL 39 4.383 9.169 -7.439 283 1HG2 VAL 39 1HG2 VAL 39 4.164 7.106 -8.799 284 2HG2 VAL 39 2HG2 VAL 39 3.245 5.730 -8.190 285 3HG2 VAL 39 3HG2 VAL 39 4.798 6.142 -7.465 286 H GLN 40 H GLN 40 0.428 7.633 -5.526 287 HA GLN 40 HA GLN 40 0.859 9.829 -3.833 288 1HB GLN 40 1HB GLN 40 -1.072 9.643 -5.351 289 2HB GLN 40 2HB GLN 40 -1.718 8.332 -4.372 290 1HG GLN 40 1HG GLN 40 -2.865 10.417 -3.897 291 2HG GLN 40 2HG GLN 40 -1.976 9.860 -2.482 292 1HE2 GLN 40 1HE2 GLN 40 -0.476 11.405 -5.249 293 2HE2 GLN 40 2HE2 GLN 40 -0.028 12.857 -4.428 294 H LEU 41 H LEU 41 -0.070 6.495 -3.132 295 HA LEU 41 HA LEU 41 -0.832 6.965 -0.438 296 1HB LEU 41 1HB LEU 41 -1.249 4.721 -0.292 297 2HB LEU 41 2HB LEU 41 -1.267 4.904 -2.030 298 HG LEU 41 HG LEU 41 1.289 4.202 -1.801 299 1HD1 LEU 41 1HD1 LEU 41 1.622 2.543 -0.033 300 2HD1 LEU 41 2HD1 LEU 41 0.040 2.940 0.644 301 3HD1 LEU 41 3HD1 LEU 41 1.328 4.147 0.637 302 1HD2 LEU 41 1HD2 LEU 41 -0.418 2.994 -3.076 303 2HD2 LEU 41 2HD2 LEU 41 -0.981 2.220 -1.596 304 3HD2 LEU 41 3HD2 LEU 41 0.641 1.889 -2.203 305 H MET 42 H MET 42 2.218 6.631 -2.004 306 HA MET 42 HA MET 42 3.728 5.730 0.261 307 1HB MET 42 1HB MET 42 4.782 7.249 -2.142 308 2HB MET 42 2HB MET 42 5.682 6.178 -1.076 309 1HG MET 42 1HG MET 42 3.511 5.375 -2.995 310 2HG MET 42 2HG MET 42 5.244 5.109 -3.196 311 1HE MET 42 1HE MET 42 2.796 2.912 -3.311 312 2HE MET 42 2HE MET 42 3.617 1.544 -2.562 313 3HE MET 42 3HE MET 42 4.471 2.553 -3.730 314 H LEU 43 H LEU 43 2.859 8.775 -1.168 315 HA LEU 43 HA LEU 43 4.619 10.518 0.065 316 1HB LEU 43 1HB LEU 43 2.916 10.914 -1.809 317 2HB LEU 43 2HB LEU 43 1.729 11.144 -0.539 318 HG LEU 43 HG LEU 43 3.055 13.047 0.332 319 1HD1 LEU 43 1HD1 LEU 43 4.772 12.569 -2.106 320 2HD1 LEU 43 2HD1 LEU 43 5.261 12.335 -0.429 321 3HD1 LEU 43 3HD1 LEU 43 4.886 13.953 -1.018 322 1HD2 LEU 43 1HD2 LEU 43 1.224 13.434 -1.242 323 2HD2 LEU 43 2HD2 LEU 43 2.337 13.241 -2.598 324 3HD2 LEU 43 3HD2 LEU 43 2.525 14.600 -1.486 325 H GLY 44 H GLY 44 1.356 9.555 1.112 326 1HA GLY 44 1HA GLY 44 1.540 11.023 3.584 327 2HA GLY 44 2HA GLY 44 0.240 9.947 3.099 328 H ILE 45 H ILE 45 2.062 7.694 2.592 329 HA ILE 45 HA ILE 45 1.970 6.597 5.213 330 HB ILE 45 HB ILE 45 2.659 5.583 2.518 331 1HG1 ILE 45 1HG1 ILE 45 0.425 5.302 3.501 332 2HG1 ILE 45 2HG1 ILE 45 1.183 3.742 3.202 333 1HG2 ILE 45 1HG2 ILE 45 3.734 4.199 4.974 334 2HG2 ILE 45 2HG2 ILE 45 4.680 4.877 3.649 335 3HG2 ILE 45 3HG2 ILE 45 3.638 3.483 3.366 336 1HD1 ILE 45 1HD1 ILE 45 1.051 5.121 5.877 337 2HD1 ILE 45 2HD1 ILE 45 1.708 3.516 5.552 338 3HD1 ILE 45 3HD1 ILE 45 -0.015 3.826 5.335 339 H GLU 46 H GLU 46 4.495 8.087 3.313 340 HA GLU 46 HA GLU 46 6.780 7.229 4.638 341 1HB GLU 46 1HB GLU 46 6.827 8.681 2.645 342 2HB GLU 46 2HB GLU 46 6.181 10.012 3.594 343 1HG GLU 46 1HG GLU 46 8.213 9.922 5.019 344 2HG GLU 46 2HG GLU 46 8.862 8.680 3.950 345 H GLU 47 H GLU 47 4.801 10.080 5.359 346 HA GLU 47 HA GLU 47 6.155 10.685 7.792 347 1HB GLU 47 1HB GLU 47 4.312 12.327 8.119 348 2HB GLU 47 2HB GLU 47 5.095 12.460 6.548 349 1HG GLU 47 1HG GLU 47 3.234 11.154 5.560 350 2HG GLU 47 2HG GLU 47 2.437 11.163 7.133 351 H ALA 48 H ALA 48 3.464 8.683 6.929 352 HA ALA 48 HA ALA 48 1.888 8.702 9.174 353 1HB ALA 48 1HB ALA 48 1.082 6.514 8.503 354 2HB ALA 48 2HB ALA 48 2.488 6.296 7.461 355 3HB ALA 48 3HB ALA 48 1.306 7.552 7.093 356 H PHE 49 H PHE 49 4.718 6.521 8.643 357 HA PHE 49 HA PHE 49 4.695 6.128 11.564 358 1HB PHE 49 1HB PHE 49 5.321 3.765 11.281 359 2HB PHE 49 2HB PHE 49 3.743 4.132 10.609 360 HD1 PHE 49 HD1 PHE 49 7.231 3.279 9.799 361 HD2 PHE 49 HD2 PHE 49 3.302 3.892 8.262 362 HE1 PHE 49 HE1 PHE 49 7.896 2.221 7.683 363 HE2 PHE 49 HE2 PHE 49 3.969 2.835 6.144 364 HZ PHE 49 HZ PHE 49 6.267 1.999 5.853 365 H ASP 50 H ASP 50 6.722 6.348 8.662 366 HA ASP 50 HA ASP 50 8.935 7.347 10.064 367 1HB ASP 50 1HB ASP 50 8.948 4.939 10.907 368 2HB ASP 50 2HB ASP 50 9.371 4.458 9.269 369 H ILE 51 H ILE 51 8.519 4.999 7.389 370 HA ILE 51 HA ILE 51 9.473 7.014 5.492 371 HB ILE 51 HB ILE 51 11.039 5.558 4.384 372 1HG1 ILE 51 1HG1 ILE 51 9.985 3.381 4.783 373 2HG1 ILE 51 2HG1 ILE 51 11.684 3.343 5.222 374 1HG2 ILE 51 1HG2 ILE 51 11.627 5.639 7.335 375 2HG2 ILE 51 2HG2 ILE 51 11.948 6.915 6.163 376 3HG2 ILE 51 3HG2 ILE 51 12.816 5.383 6.058 377 1HD1 ILE 51 1HD1 ILE 51 9.325 3.447 7.088 378 2HD1 ILE 51 2HD1 ILE 51 11.004 3.606 7.605 379 3HD1 ILE 51 3HD1 ILE 51 10.451 2.113 6.845 380 H GLU 52 H GLU 52 9.385 5.985 3.186 381 HA GLU 52 HA GLU 52 6.864 4.482 2.949 382 1HB GLU 52 1HB GLU 52 7.062 5.482 0.491 383 2HB GLU 52 2HB GLU 52 6.325 6.384 1.803 384 1HG GLU 52 1HG GLU 52 7.764 7.827 0.536 385 2HG GLU 52 2HG GLU 52 8.438 7.594 2.144 386 H PHE 53 H PHE 53 6.767 3.201 0.826 387 HA PHE 53 HA PHE 53 8.672 1.160 1.008 388 1HB PHE 53 1HB PHE 53 6.752 1.768 -1.255 389 2HB PHE 53 2HB PHE 53 7.622 0.254 -1.046 390 HD1 PHE 53 HD2 PHE 53 7.369 -0.471 1.680 391 HD2 PHE 53 HD1 PHE 53 4.515 1.493 -0.796 392 HE1 PHE 53 HE2 PHE 53 5.552 -1.315 3.109 393 HE2 PHE 53 HE1 PHE 53 2.696 0.655 0.631 394 HZ PHE 53 HZ PHE 53 3.213 -0.751 2.584 395 HA PRO 54 HA PRO 54 12.027 3.035 -1.233 396 1HB PRO 54 1HB PRO 54 13.616 0.824 -1.417 397 2HB PRO 54 2HB PRO 54 13.419 1.755 0.075 398 1HG PRO 54 1HG PRO 54 12.038 -0.776 -0.765 399 2HG PRO 54 2HG PRO 54 12.779 -0.372 0.797 400 1HD PRO 54 1HD PRO 54 10.126 -0.199 0.420 401 2HD PRO 54 2HD PRO 54 10.992 0.962 1.446 402 H ASP 55 H ASP 55 12.901 3.082 -3.307 403 HA ASP 55 HA ASP 55 11.105 2.450 -5.345 404 1HB ASP 55 1HB ASP 55 12.918 3.170 -6.913 405 2HB ASP 55 2HB ASP 55 12.583 4.314 -5.622 406 H ASN 56 H ASN 56 13.627 0.527 -3.997 407 HA ASN 56 HA ASN 56 14.214 -1.163 -6.158 408 1HB ASN 56 1HB ASN 56 14.309 -1.597 -3.173 409 2HB ASN 56 2HB ASN 56 14.760 -2.869 -4.302 410 1HD2 ASN 56 1HD2 ASN 56 16.368 -1.466 -2.320 411 2HD2 ASN 56 2HD2 ASN 56 17.681 -0.747 -3.185 412 H LEU 57 H LEU 57 11.473 -1.173 -3.938 413 HA LEU 57 HA LEU 57 10.561 -3.680 -5.201 414 1HB LEU 57 1HB LEU 57 9.286 -4.140 -3.140 415 2HB LEU 57 2HB LEU 57 11.018 -4.078 -2.891 416 HG LEU 57 HG LEU 57 10.620 -1.652 -2.077 417 1HD1 LEU 57 1HD1 LEU 57 8.339 -1.360 -2.825 418 2HD1 LEU 57 2HD1 LEU 57 8.401 -1.275 -1.066 419 3HD1 LEU 57 3HD1 LEU 57 7.810 -2.737 -1.858 420 1HD2 LEU 57 1HD2 LEU 57 11.300 -3.486 -0.620 421 2HD2 LEU 57 2HD2 LEU 57 9.619 -3.992 -0.450 422 3HD2 LEU 57 3HD2 LEU 57 10.141 -2.433 0.191 423 H LEU 58 H LEU 58 10.018 -0.531 -5.507 424 HA LEU 58 HA LEU 58 7.174 -0.395 -5.336 425 1HB LEU 58 1HB LEU 58 9.140 1.297 -6.889 426 2HB LEU 58 2HB LEU 58 7.421 1.631 -6.805 427 HG LEU 58 HG LEU 58 9.359 1.668 -4.482 428 1HD1 LEU 58 1HD1 LEU 58 9.591 3.598 -5.958 429 2HD1 LEU 58 2HD1 LEU 58 8.874 4.065 -4.416 430 3HD1 LEU 58 3HD1 LEU 58 7.855 3.906 -5.848 431 1HD2 LEU 58 1HD2 LEU 58 6.389 2.224 -4.530 432 2HD2 LEU 58 2HD2 LEU 58 7.464 2.473 -3.152 433 3HD2 LEU 58 3HD2 LEU 58 7.182 0.845 -3.765 434 H ASN 59 H ASN 59 5.636 -0.845 -6.807 435 HA ASN 59 HA ASN 59 4.582 -1.776 -8.581 436 1HB ASN 59 1HB ASN 59 7.082 -0.974 -10.101 437 2HB ASN 59 2HB ASN 59 5.573 -1.501 -10.838 438 1HD2 ASN 59 1HD2 ASN 59 3.737 -0.124 -10.687 439 2HD2 ASN 59 2HD2 ASN 59 3.919 1.570 -10.377 440 H ARG 60 H ARG 60 6.323 -3.367 -6.848 441 HA ARG 60 HA ARG 60 7.088 -5.567 -8.658 442 1HB ARG 60 1HB ARG 60 8.752 -4.526 -6.970 443 2HB ARG 60 2HB ARG 60 7.808 -5.337 -5.729 444 1HG ARG 60 1HG ARG 60 8.282 -7.501 -6.819 445 2HG ARG 60 2HG ARG 60 9.277 -6.659 -8.011 446 1HD ARG 60 1HD ARG 60 10.643 -5.782 -6.072 447 2HD ARG 60 2HD ARG 60 9.756 -6.906 -5.043 448 HE ARG 60 HE ARG 60 11.113 -8.006 -7.383 449 1HH1 ARG 60 1HH1 ARG 60 11.042 -7.610 -3.898 450 2HH1 ARG 60 2HH1 ARG 60 12.309 -8.764 -3.628 451 1HH2 ARG 60 1HH2 ARG 60 12.746 -9.524 -7.016 452 2HH2 ARG 60 2HH2 ARG 60 13.268 -9.868 -5.393 453 H LYS 61 H LYS 61 6.753 -7.813 -7.489 454 HA LYS 61 HA LYS 61 4.015 -8.265 -7.182 455 1HB LYS 61 1HB LYS 61 4.619 -10.506 -6.366 456 2HB LYS 61 2HB LYS 61 5.538 -10.057 -7.795 457 1HG LYS 61 1HG LYS 61 7.517 -9.717 -6.545 458 2HG LYS 61 2HG LYS 61 6.642 -9.742 -5.012 459 1HD LYS 61 1HD LYS 61 7.892 -11.839 -5.437 460 2HD LYS 61 2HD LYS 61 6.156 -12.099 -5.272 461 1HE LYS 61 1HE LYS 61 5.988 -12.105 -7.764 462 2HE LYS 61 2HE LYS 61 7.748 -12.013 -7.838 463 1HZ LYS 61 1HZ LYS 61 7.906 -14.117 -6.731 464 2HZ LYS 61 2HZ LYS 61 6.872 -14.286 -8.058 465 3HZ LYS 61 3HZ LYS 61 6.233 -14.184 -6.496 466 H SER 62 H SER 62 6.215 -7.005 -4.922 467 HA SER 62 HA SER 62 5.254 -7.819 -2.463 468 1HB SER 62 1HB SER 62 6.000 -5.457 -1.747 469 2HB SER 62 2HB SER 62 7.213 -6.480 -2.518 470 HG SER 62 HG SER 62 7.119 -4.317 -3.374 471 H PHE 63 H PHE 63 3.982 -5.419 -4.699 472 HA PHE 63 HA PHE 63 1.970 -4.348 -3.007 473 1HB PHE 63 1HB PHE 63 2.291 -4.404 -6.015 474 2HB PHE 63 2HB PHE 63 0.955 -3.582 -5.217 475 HD1 PHE 63 HD2 PHE 63 4.650 -3.762 -4.612 476 HD2 PHE 63 HD1 PHE 63 1.226 -1.304 -5.233 477 HE1 PHE 63 HE2 PHE 63 6.044 -1.756 -4.341 478 HE2 PHE 63 HE1 PHE 63 2.619 0.704 -4.960 479 HZ PHE 63 HZ PHE 63 5.029 0.479 -4.515 480 H ALA 64 H ALA 64 2.171 -7.218 -4.929 481 HA ALA 64 HA ALA 64 -0.647 -7.688 -5.157 482 1HB ALA 64 1HB ALA 64 -0.011 -9.888 -6.003 483 2HB ALA 64 2HB ALA 64 1.658 -9.615 -5.499 484 3HB ALA 64 3HB ALA 64 0.946 -8.622 -6.771 485 H SER 65 H SER 65 1.662 -8.113 -2.680 486 HA SER 65 HA SER 65 -0.285 -9.635 -1.090 487 1HB SER 65 1HB SER 65 2.687 -10.231 -1.234 488 2HB SER 65 2HB SER 65 1.540 -11.008 -0.142 489 HG SER 65 HG SER 65 1.022 -11.041 -2.897 490 H ILE 66 H ILE 66 -0.839 -7.728 -0.008 491 HA ILE 66 HA ILE 66 0.910 -5.849 1.070 492 HB ILE 66 HB ILE 66 -1.809 -6.688 2.094 493 1HG1 ILE 66 1HG1 ILE 66 -1.818 -5.856 -0.220 494 2HG1 ILE 66 2HG1 ILE 66 -2.620 -4.721 0.860 495 1HG2 ILE 66 1HG2 ILE 66 -1.874 -4.496 3.224 496 2HG2 ILE 66 2HG2 ILE 66 -0.192 -4.224 2.765 497 3HG2 ILE 66 3HG2 ILE 66 -0.606 -5.541 3.863 498 1HD1 ILE 66 1HD1 ILE 66 -1.214 -3.587 -0.783 499 2HD1 ILE 66 2HD1 ILE 66 0.197 -4.453 -0.180 500 3HD1 ILE 66 3HD1 ILE 66 -0.641 -3.303 0.860 501 H LYS 67 H LYS 67 -0.361 -8.820 2.507 502 HA LYS 67 HA LYS 67 0.747 -8.563 5.054 503 1HB LYS 67 1HB LYS 67 0.513 -10.998 5.255 504 2HB LYS 67 2HB LYS 67 -0.922 -10.271 4.554 505 1HG LYS 67 1HG LYS 67 1.133 -11.313 2.676 506 2HG LYS 67 2HG LYS 67 0.187 -12.489 3.587 507 1HD LYS 67 1HD LYS 67 -1.884 -11.503 2.727 508 2HD LYS 67 2HD LYS 67 -0.952 -10.305 1.829 509 1HE LYS 67 1HE LYS 67 -0.034 -11.955 0.395 510 2HE LYS 67 2HE LYS 67 -0.602 -13.269 1.424 511 1HZ LYS 67 1HZ LYS 67 -2.382 -11.414 -0.059 512 2HZ LYS 67 2HZ LYS 67 -2.849 -12.777 0.827 513 3HZ LYS 67 3HZ LYS 67 -1.950 -12.961 -0.594 514 H ALA 68 H ALA 68 2.221 -9.483 2.033 515 HA ALA 68 HA ALA 68 4.618 -10.532 3.258 516 1HB ALA 68 1HB ALA 68 3.815 -11.439 1.125 517 2HB ALA 68 2HB ALA 68 5.443 -10.778 0.975 518 3HB ALA 68 3HB ALA 68 4.061 -9.867 0.365 519 H ILE 69 H ILE 69 3.619 -7.558 1.603 520 HA ILE 69 HA ILE 69 6.244 -6.456 1.508 521 HB ILE 69 HB ILE 69 4.379 -5.793 -0.044 522 1HG1 ILE 69 1HG1 ILE 69 5.715 -3.507 1.438 523 2HG1 ILE 69 2HG1 ILE 69 6.470 -4.472 0.174 524 1HG2 ILE 69 1HG2 ILE 69 2.606 -5.553 1.635 525 2HG2 ILE 69 2HG2 ILE 69 2.784 -4.098 0.659 526 3HG2 ILE 69 3HG2 ILE 69 3.428 -4.142 2.300 527 1HD1 ILE 69 1HD1 ILE 69 4.066 -2.687 -0.159 528 2HD1 ILE 69 2HD1 ILE 69 4.809 -3.661 -1.429 529 3HD1 ILE 69 3HD1 ILE 69 5.711 -2.340 -0.689 530 H GLU 70 H GLU 70 3.609 -6.309 3.841 531 HA GLU 70 HA GLU 70 4.593 -4.150 5.365 532 1HB GLU 70 1HB GLU 70 3.084 -4.813 7.093 533 2HB GLU 70 2HB GLU 70 2.286 -5.135 5.566 534 1HG GLU 70 1HG GLU 70 1.747 -7.036 6.692 535 2HG GLU 70 2HG GLU 70 3.252 -7.560 5.943 536 H ASP 71 H ASP 71 5.270 -7.587 5.380 537 HA ASP 71 HA ASP 71 6.952 -7.686 7.627 538 1HB ASP 71 1HB ASP 71 6.090 -9.709 6.561 539 2HB ASP 71 2HB ASP 71 6.986 -9.349 5.090 540 H THR 72 H THR 72 7.631 -7.117 4.200 541 HA THR 72 HA THR 72 10.424 -6.940 4.400 542 HB THR 72 HB THR 72 8.637 -5.567 2.373 543 HG1 THR 72 HG1 THR 72 9.662 -8.216 2.560 544 1HG2 THR 72 1HG2 THR 72 10.966 -4.775 2.331 545 2HG2 THR 72 2HG2 THR 72 10.587 -5.720 0.891 546 3HG2 THR 72 3HG2 THR 72 11.531 -6.441 2.196 547 H VAL 73 H VAL 73 7.910 -4.405 4.570 548 HA VAL 73 HA VAL 73 9.796 -2.283 4.788 549 HB VAL 73 HB VAL 73 7.500 -1.878 3.993 550 1HG1 VAL 73 1HG1 VAL 73 6.675 -2.371 6.853 551 2HG1 VAL 73 2HG1 VAL 73 6.271 -3.372 5.459 552 3HG1 VAL 73 3HG1 VAL 73 5.637 -1.732 5.580 553 1HG2 VAL 73 1HG2 VAL 73 7.099 0.212 5.217 554 2HG2 VAL 73 2HG2 VAL 73 8.808 -0.007 4.840 555 3HG2 VAL 73 3HG2 VAL 73 8.220 -0.313 6.475 556 H LYS 74 H LYS 74 8.185 -4.364 7.119 557 HA LYS 74 HA LYS 74 8.970 -2.992 9.460 558 1HB LYS 74 1HB LYS 74 8.200 -5.834 8.859 559 2HB LYS 74 2HB LYS 74 8.837 -5.424 10.446 560 1HG LYS 74 1HG LYS 74 7.001 -4.168 11.021 561 2HG LYS 74 2HG LYS 74 6.602 -3.784 9.348 562 1HD LYS 74 1HD LYS 74 4.973 -5.309 10.410 563 2HD LYS 74 2HD LYS 74 5.742 -6.008 8.989 564 1HE LYS 74 1HE LYS 74 7.259 -7.276 10.450 565 2HE LYS 74 2HE LYS 74 6.462 -6.582 11.865 566 1HZ LYS 74 1HZ LYS 74 5.020 -8.154 9.805 567 2HZ LYS 74 2HZ LYS 74 4.460 -7.695 11.333 568 3HZ LYS 74 3HZ LYS 74 5.688 -8.849 11.195 569 H LEU 75 H LEU 75 10.628 -5.294 7.380 570 HA LEU 75 HA LEU 75 12.930 -5.632 9.005 571 1HB LEU 75 1HB LEU 75 12.626 -5.843 6.001 572 2HB LEU 75 2HB LEU 75 14.042 -6.362 6.898 573 HG LEU 75 HG LEU 75 11.266 -7.539 7.168 574 1HD1 LEU 75 1HD1 LEU 75 13.760 -8.660 5.886 575 2HD1 LEU 75 2HD1 LEU 75 12.313 -8.105 5.041 576 3HD1 LEU 75 3HD1 LEU 75 12.230 -9.513 6.099 577 1HD2 LEU 75 1HD2 LEU 75 12.350 -9.241 8.562 578 2HD2 LEU 75 2HD2 LEU 75 12.499 -7.634 9.274 579 3HD2 LEU 75 3HD2 LEU 75 13.878 -8.366 8.451 580 H ILE 76 H ILE 76 11.965 -3.233 6.623 581 HA ILE 76 HA ILE 76 14.388 -1.833 6.389 582 HB ILE 76 HB ILE 76 11.581 -0.687 6.321 583 1HG1 ILE 76 1HG1 ILE 76 13.343 -1.622 4.032 584 2HG1 ILE 76 2HG1 ILE 76 11.943 -2.491 4.657 585 1HG2 ILE 76 1HG2 ILE 76 14.173 0.462 5.273 586 2HG2 ILE 76 2HG2 ILE 76 13.251 1.054 6.655 587 3HG2 ILE 76 3HG2 ILE 76 12.569 1.158 5.033 588 1HD1 ILE 76 1HD1 ILE 76 11.909 0.227 3.361 589 2HD1 ILE 76 2HD1 ILE 76 10.504 -0.632 3.995 590 3HD1 ILE 76 3HD1 ILE 76 11.397 -1.294 2.626 591 H LEU 77 H LEU 77 11.679 -1.442 8.664 592 HA LEU 77 HA LEU 77 12.640 0.750 10.088 593 1HB LEU 77 1HB LEU 77 10.774 -1.495 10.750 594 2HB LEU 77 2HB LEU 77 11.306 -0.449 12.050 595 HG LEU 77 HG LEU 77 9.132 0.253 11.164 596 1HD1 LEU 77 1HD1 LEU 77 10.622 1.937 12.112 597 2HD1 LEU 77 2HD1 LEU 77 9.644 2.610 10.808 598 3HD1 LEU 77 3HD1 LEU 77 11.340 2.211 10.524 599 1HD2 LEU 77 1HD2 LEU 77 9.386 -0.524 8.862 600 2HD2 LEU 77 2HD2 LEU 77 10.600 0.719 8.564 601 3HD2 LEU 77 3HD2 LEU 77 8.933 1.179 8.910 602 H ASP 78 H ASP 78 13.574 -2.611 10.276 603 HA ASP 78 HA ASP 78 14.932 -2.448 12.766 604 1HB ASP 78 1HB ASP 78 14.280 -4.620 11.922 605 2HB ASP 78 2HB ASP 78 15.228 -4.383 10.457 606 H GLY 79 H GLY 79 15.823 -1.742 9.479 607 1HA GLY 79 1HA GLY 79 18.272 -0.468 10.385 608 2HA GLY 79 2HA GLY 79 18.497 -1.850 9.318 609 H LYS 80 H LYS 80 16.645 1.163 9.557 610 HA LYS 80 HA LYS 80 16.025 1.375 6.822 611 1HB LYS 80 1HB LYS 80 16.373 3.647 8.801 612 2HB LYS 80 2HB LYS 80 15.597 3.768 7.235 613 1HG LYS 80 1HG LYS 80 13.748 3.581 8.523 614 2HG LYS 80 2HG LYS 80 14.053 1.868 8.239 615 1HD LYS 80 1HD LYS 80 13.563 2.271 10.588 616 2HD LYS 80 2HD LYS 80 15.229 1.729 10.396 617 1HE LYS 80 1HE LYS 80 16.013 4.038 10.595 618 2HE LYS 80 2HE LYS 80 14.348 4.601 10.735 619 1HZ LYS 80 1HZ LYS 80 14.129 3.355 12.782 620 2HZ LYS 80 2HZ LYS 80 15.426 4.431 12.893 621 3HZ LYS 80 3HZ LYS 80 15.715 2.784 12.646 622 H GLU 81 H GLU 81 18.630 2.833 8.726 623 HA GLU 81 HA GLU 81 20.639 3.732 8.211 624 1HB GLU 81 1HB GLU 81 20.920 1.450 7.153 625 2HB GLU 81 2HB GLU 81 20.476 2.179 5.615 626 1HG GLU 81 1HG GLU 81 22.411 3.686 5.781 627 2HG GLU 81 2HG GLU 81 22.857 2.932 7.311 628 H ALA 82 H ALA 82 17.976 4.785 7.033 629 HA ALA 82 HA ALA 82 18.845 6.384 4.793 630 1HB ALA 82 1HB ALA 82 16.297 6.563 6.411 631 2HB ALA 82 2HB ALA 82 16.519 5.592 4.955 632 3HB ALA 82 3HB ALA 82 16.611 7.351 4.863 633 H ALA 83 H ALA 83 20.691 7.223 6.021 634 HA ALA 83 HA ALA 83 20.113 9.808 7.163 635 1HB ALA 83 1HB ALA 83 21.290 9.420 9.276 636 2HB ALA 83 2HB ALA 83 21.500 7.719 8.857 637 3HB ALA 83 3HB ALA 83 19.883 8.365 9.135 Start of MODEL 9 1 HA MET 1 HA MET 1 2.040 1.146 9.192 2 1HB MET 1 1HB MET 1 2.999 -1.279 10.711 3 2HB MET 1 2HB MET 1 3.494 -0.971 9.052 4 1HG MET 1 1HG MET 1 4.603 1.033 9.651 5 2HG MET 1 2HG MET 1 3.879 1.029 11.256 6 1HE MET 1 1HE MET 1 7.040 -2.054 9.901 7 2HE MET 1 2HE MET 1 6.445 -0.760 8.861 8 3HE MET 1 3HE MET 1 5.369 -2.073 9.340 9 H ASN 2 H ASN 2 1.119 -2.222 10.033 10 HA ASN 2 HA ASN 2 0.575 -2.974 7.418 11 1HB ASN 2 1HB ASN 2 -0.557 -4.929 8.317 12 2HB ASN 2 2HB ASN 2 0.876 -4.581 9.273 13 1HD2 ASN 2 1HD2 ASN 2 -1.464 -6.125 9.983 14 2HD2 ASN 2 2HD2 ASN 2 -2.133 -5.380 11.394 15 H ALA 3 H ALA 3 -1.690 -1.740 9.851 16 HA ALA 3 HA ALA 3 -3.927 -1.797 8.024 17 1HB ALA 3 1HB ALA 3 -5.170 -0.719 9.833 18 2HB ALA 3 2HB ALA 3 -3.672 -0.483 10.734 19 3HB ALA 3 3HB ALA 3 -4.269 -2.114 10.431 20 H THR 4 H THR 4 -1.708 0.582 9.334 21 HA THR 4 HA THR 4 -2.757 2.974 8.460 22 HB THR 4 HB THR 4 0.178 2.234 8.385 23 HG1 THR 4 HG1 THR 4 -0.856 3.400 10.679 24 1HG2 THR 4 1HG2 THR 4 0.537 4.577 8.992 25 2HG2 THR 4 2HG2 THR 4 -1.204 4.862 8.946 26 3HG2 THR 4 3HG2 THR 4 -0.340 4.438 7.468 27 H ILE 5 H ILE 5 -0.823 0.638 6.693 28 HA ILE 5 HA ILE 5 -0.321 2.231 4.404 29 HB ILE 5 HB ILE 5 -0.151 -0.764 4.824 30 1HG1 ILE 5 1HG1 ILE 5 2.120 1.226 4.631 31 2HG1 ILE 5 2HG1 ILE 5 1.345 0.847 6.164 32 1HG2 ILE 5 1HG2 ILE 5 0.884 0.891 2.514 33 2HG2 ILE 5 2HG2 ILE 5 -0.420 -0.296 2.449 34 3HG2 ILE 5 3HG2 ILE 5 1.230 -0.818 2.785 35 1HD1 ILE 5 1HD1 ILE 5 3.376 -0.424 5.898 36 2HD1 ILE 5 2HD1 ILE 5 2.789 -1.096 4.374 37 3HD1 ILE 5 3HD1 ILE 5 1.979 -1.502 5.891 38 H ARG 6 H ARG 6 -2.580 -0.438 5.064 39 HA ARG 6 HA ARG 6 -3.868 -0.373 2.557 40 1HB ARG 6 1HB ARG 6 -4.115 -2.279 4.073 41 2HB ARG 6 2HB ARG 6 -4.923 -1.262 5.260 42 1HG ARG 6 1HG ARG 6 -6.741 -0.870 3.634 43 2HG ARG 6 2HG ARG 6 -5.947 -1.977 2.517 44 1HD ARG 6 1HD ARG 6 -6.166 -3.776 4.210 45 2HD ARG 6 2HD ARG 6 -7.047 -2.653 5.249 46 HE ARG 6 HE ARG 6 -8.089 -3.116 2.559 47 1HH1 ARG 6 1HH1 ARG 6 -8.392 -3.674 6.007 48 2HH1 ARG 6 2HH1 ARG 6 -10.010 -4.291 5.881 49 1HH2 ARG 6 1HH2 ARG 6 -10.224 -3.922 2.410 50 2HH2 ARG 6 2HH2 ARG 6 -11.038 -4.448 3.851 51 H GLU 7 H GLU 7 -4.396 1.348 5.568 52 HA GLU 7 HA GLU 7 -6.916 2.436 5.023 53 1HB GLU 7 1HB GLU 7 -5.956 2.402 7.270 54 2HB GLU 7 2HB GLU 7 -4.684 3.508 6.768 55 1HG GLU 7 1HG GLU 7 -6.353 5.245 6.354 56 2HG GLU 7 2HG GLU 7 -7.632 4.138 6.851 57 H ILE 8 H ILE 8 -3.650 3.613 4.257 58 HA ILE 8 HA ILE 8 -4.473 6.208 3.530 59 HB ILE 8 HB ILE 8 -2.061 5.437 3.982 60 1HG1 ILE 8 1HG1 ILE 8 -2.678 7.241 1.628 61 2HG1 ILE 8 2HG1 ILE 8 -2.702 7.715 3.320 62 1HG2 ILE 8 1HG2 ILE 8 -0.739 4.871 1.992 63 2HG2 ILE 8 2HG2 ILE 8 -2.218 4.778 1.038 64 3HG2 ILE 8 3HG2 ILE 8 -1.943 3.634 2.350 65 1HD1 ILE 8 1HD1 ILE 8 -0.293 6.839 1.760 66 2HD1 ILE 8 2HD1 ILE 8 -0.307 7.293 3.463 67 3HD1 ILE 8 3HD1 ILE 8 -0.699 8.488 2.227 68 H LEU 9 H LEU 9 -4.375 3.189 1.725 69 HA LEU 9 HA LEU 9 -4.785 4.245 -0.854 70 1HB LEU 9 1HB LEU 9 -5.449 1.607 0.419 71 2HB LEU 9 2HB LEU 9 -6.031 1.965 -1.193 72 HG LEU 9 HG LEU 9 -4.002 0.646 -1.309 73 1HD1 LEU 9 1HD1 LEU 9 -2.659 2.085 -2.765 74 2HD1 LEU 9 2HD1 LEU 9 -3.527 3.501 -2.170 75 3HD1 LEU 9 3HD1 LEU 9 -4.385 2.260 -3.086 76 1HD2 LEU 9 1HD2 LEU 9 -2.664 2.893 0.198 77 2HD2 LEU 9 2HD2 LEU 9 -1.860 1.485 -0.498 78 3HD2 LEU 9 3HD2 LEU 9 -3.006 1.281 0.827 79 H ALA 10 H ALA 10 -6.947 3.763 1.831 80 HA ALA 10 HA ALA 10 -9.364 3.941 0.291 81 1HB ALA 10 1HB ALA 10 -10.495 3.892 2.448 82 2HB ALA 10 2HB ALA 10 -8.956 4.136 3.277 83 3HB ALA 10 3HB ALA 10 -9.244 2.650 2.371 84 H LYS 11 H LYS 11 -7.305 6.209 1.961 85 HA LYS 11 HA LYS 11 -9.346 8.315 1.642 86 1HB LYS 11 1HB LYS 11 -7.994 9.516 3.444 87 2HB LYS 11 2HB LYS 11 -8.912 8.102 3.941 88 1HG LYS 11 1HG LYS 11 -6.884 6.746 3.884 89 2HG LYS 11 2HG LYS 11 -5.953 8.148 3.363 90 1HD LYS 11 1HD LYS 11 -6.544 9.297 5.472 91 2HD LYS 11 2HD LYS 11 -7.423 7.856 5.990 92 1HE LYS 11 1HE LYS 11 -5.337 6.556 5.869 93 2HE LYS 11 2HE LYS 11 -4.467 8.008 5.379 94 1HZ LYS 11 1HZ LYS 11 -5.852 7.586 7.972 95 2HZ LYS 11 2HZ LYS 11 -5.080 9.018 7.507 96 3HZ LYS 11 3HZ LYS 11 -4.182 7.602 7.723 97 H PHE 12 H PHE 12 -6.212 7.358 0.606 98 HA PHE 12 HA PHE 12 -5.772 10.027 -0.601 99 1HB PHE 12 1HB PHE 12 -3.772 8.074 0.538 100 2HB PHE 12 2HB PHE 12 -3.291 9.299 -0.621 101 HD1 PHE 12 HD1 PHE 12 -5.594 9.493 2.317 102 HD2 PHE 12 HD2 PHE 12 -1.970 10.807 0.518 103 HE1 PHE 12 HE1 PHE 12 -5.245 11.056 4.175 104 HE2 PHE 12 HE2 PHE 12 -1.619 12.379 2.376 105 HZ PHE 12 HZ PHE 12 -3.258 12.503 4.207 106 H GLY 13 H GLY 13 -5.499 6.532 -0.984 107 1HA GLY 13 1HA GLY 13 -4.159 6.577 -3.484 108 2HA GLY 13 2HA GLY 13 -4.998 5.202 -2.784 109 H GLN 14 H GLN 14 -4.885 6.808 -5.507 110 HA GLN 14 HA GLN 14 -7.675 7.381 -5.941 111 1HB GLN 14 1HB GLN 14 -5.768 8.557 -7.127 112 2HB GLN 14 2HB GLN 14 -5.527 7.089 -8.058 113 1HG GLN 14 1HG GLN 14 -8.228 8.379 -8.013 114 2HG GLN 14 2HG GLN 14 -6.955 9.068 -9.011 115 1HE2 GLN 14 1HE2 GLN 14 -5.732 6.592 -9.751 116 2HE2 GLN 14 2HE2 GLN 14 -6.806 5.791 -10.831 117 H LEU 15 H LEU 15 -8.264 5.247 -5.097 118 HA LEU 15 HA LEU 15 -8.229 3.157 -7.165 119 1HB LEU 15 1HB LEU 15 -7.445 2.598 -4.833 120 2HB LEU 15 2HB LEU 15 -9.070 2.928 -4.263 121 HG LEU 15 HG LEU 15 -9.924 1.078 -5.687 122 1HD1 LEU 15 1HD1 LEU 15 -8.385 -0.479 -6.723 123 2HD1 LEU 15 2HD1 LEU 15 -7.011 0.505 -6.218 124 3HD1 LEU 15 3HD1 LEU 15 -8.161 1.135 -7.395 125 1HD2 LEU 15 1HD2 LEU 15 -7.715 0.289 -3.785 126 2HD2 LEU 15 2HD2 LEU 15 -9.014 -0.762 -4.349 127 3HD2 LEU 15 3HD2 LEU 15 -9.387 0.644 -3.351 128 HA PRO 16 HA PRO 16 -12.438 4.550 -7.916 129 1HB PRO 16 1HB PRO 16 -13.011 2.860 -9.943 130 2HB PRO 16 2HB PRO 16 -11.926 4.242 -10.154 131 1HG PRO 16 1HG PRO 16 -11.281 1.345 -9.784 132 2HG PRO 16 2HG PRO 16 -10.506 2.541 -10.839 133 1HD PRO 16 1HD PRO 16 -9.508 1.732 -8.403 134 2HD PRO 16 2HD PRO 16 -9.128 3.288 -9.170 135 H THR 17 H THR 17 -11.475 1.882 -6.380 136 HA THR 17 HA THR 17 -14.154 0.741 -6.076 137 HB THR 17 HB THR 17 -11.492 -0.606 -6.493 138 HG1 THR 17 HG1 THR 17 -12.284 -0.940 -8.399 139 1HG2 THR 17 1HG2 THR 17 -12.573 -2.755 -6.033 140 2HG2 THR 17 2HG2 THR 17 -14.035 -1.906 -5.532 141 3HG2 THR 17 3HG2 THR 17 -12.544 -1.717 -4.609 142 HA PRO 18 HA PRO 18 -13.359 1.632 -1.787 143 1HB PRO 18 1HB PRO 18 -14.966 -0.289 -0.624 144 2HB PRO 18 2HB PRO 18 -15.555 1.246 -1.272 145 1HG PRO 18 1HG PRO 18 -15.558 -1.469 -2.532 146 2HG PRO 18 2HG PRO 18 -16.818 -0.220 -2.558 147 1HD PRO 18 1HD PRO 18 -15.179 -0.638 -4.660 148 2HD PRO 18 2HD PRO 18 -15.757 0.985 -4.239 149 H VAL 19 H VAL 19 -11.531 1.127 -0.773 150 HA VAL 19 HA VAL 19 -10.046 -1.220 -1.179 151 HB VAL 19 HB VAL 19 -9.825 0.702 1.156 152 1HG1 VAL 19 1HG1 VAL 19 -7.782 -1.181 -0.036 153 2HG1 VAL 19 2HG1 VAL 19 -8.571 -1.358 1.531 154 3HG1 VAL 19 3HG1 VAL 19 -7.473 -0.009 1.245 155 1HG2 VAL 19 1HG2 VAL 19 -8.160 1.886 -0.198 156 2HG2 VAL 19 2HG2 VAL 19 -9.741 1.885 -0.980 157 3HG2 VAL 19 3HG2 VAL 19 -8.478 0.793 -1.547 158 H ASP 20 H ASP 20 -12.689 -0.592 0.871 159 HA ASP 20 HA ASP 20 -12.215 -2.457 2.933 160 1HB ASP 20 1HB ASP 20 -13.895 -0.703 3.146 161 2HB ASP 20 2HB ASP 20 -14.827 -1.393 1.823 162 H THR 21 H THR 21 -13.457 -2.827 -0.335 163 HA THR 21 HA THR 21 -14.626 -5.410 0.161 164 HB THR 21 HB THR 21 -15.433 -3.811 -1.639 165 HG1 THR 21 HG1 THR 21 -16.156 -5.933 -1.673 166 1HG2 THR 21 1HG2 THR 21 -13.065 -4.927 -3.161 167 2HG2 THR 21 2HG2 THR 21 -13.229 -3.259 -2.613 168 3HG2 THR 21 3HG2 THR 21 -14.340 -3.902 -3.821 169 H ILE 22 H ILE 22 -11.490 -4.249 -0.757 170 HA ILE 22 HA ILE 22 -10.591 -6.947 -1.454 171 HB ILE 22 HB ILE 22 -8.360 -5.878 -1.854 172 1HG1 ILE 22 1HG1 ILE 22 -9.882 -3.293 -1.405 173 2HG1 ILE 22 2HG1 ILE 22 -8.622 -3.934 -0.356 174 1HG2 ILE 22 1HG2 ILE 22 -9.928 -6.270 -3.689 175 2HG2 ILE 22 2HG2 ILE 22 -8.981 -4.809 -3.964 176 3HG2 ILE 22 3HG2 ILE 22 -10.655 -4.685 -3.420 177 1HD1 ILE 22 1HD1 ILE 22 -7.011 -3.709 -2.197 178 2HD1 ILE 22 2HD1 ILE 22 -7.747 -2.172 -1.743 179 3HD1 ILE 22 3HD1 ILE 22 -8.283 -3.009 -3.200 180 H ALA 23 H ALA 23 -8.074 -7.051 -0.400 181 HA ALA 23 HA ALA 23 -8.186 -6.620 2.439 182 1HB ALA 23 1HB ALA 23 -8.456 -9.446 1.392 183 2HB ALA 23 2HB ALA 23 -9.718 -8.525 2.212 184 3HB ALA 23 3HB ALA 23 -8.251 -8.980 3.083 185 H ASP 24 H ASP 24 -6.386 -8.389 3.358 186 HA ASP 24 HA ASP 24 -3.975 -7.248 2.437 187 1HB ASP 24 1HB ASP 24 -2.874 -8.605 4.098 188 2HB ASP 24 2HB ASP 24 -4.388 -8.019 4.777 189 H GLU 25 H GLU 25 -5.422 -10.447 1.925 190 HA GLU 25 HA GLU 25 -3.138 -11.230 0.268 191 1HB GLU 25 1HB GLU 25 -5.537 -12.883 1.081 192 2HB GLU 25 2HB GLU 25 -4.077 -13.472 0.293 193 1HG GLU 25 1HG GLU 25 -2.855 -12.521 2.359 194 2HG GLU 25 2HG GLU 25 -4.449 -12.519 3.105 195 H ALA 26 H ALA 26 -6.086 -9.745 -0.170 196 HA ALA 26 HA ALA 26 -6.793 -10.956 -2.685 197 1HB ALA 26 1HB ALA 26 -8.501 -9.923 -1.234 198 2HB ALA 26 2HB ALA 26 -8.476 -9.204 -2.845 199 3HB ALA 26 3HB ALA 26 -7.745 -8.352 -1.489 200 H ASP 27 H ASP 27 -6.297 -10.252 -4.706 201 HA ASP 27 HA ASP 27 -3.907 -8.810 -5.083 202 1HB ASP 27 1HB ASP 27 -6.070 -9.477 -7.105 203 2HB ASP 27 2HB ASP 27 -4.435 -8.947 -7.494 204 H LEU 28 H LEU 28 -3.796 -6.754 -4.474 205 HA LEU 28 HA LEU 28 -5.909 -4.970 -4.215 206 1HB LEU 28 1HB LEU 28 -3.023 -4.230 -4.724 207 2HB LEU 28 2HB LEU 28 -4.238 -3.247 -3.927 208 HG LEU 28 HG LEU 28 -3.094 -5.834 -2.855 209 1HD1 LEU 28 1HD1 LEU 28 -2.670 -2.983 -1.954 210 2HD1 LEU 28 2HD1 LEU 28 -1.495 -3.977 -2.818 211 3HD1 LEU 28 3HD1 LEU 28 -2.006 -4.430 -1.193 212 1HD2 LEU 28 1HD2 LEU 28 -5.424 -5.515 -2.184 213 2HD2 LEU 28 2HD2 LEU 28 -5.045 -3.894 -1.603 214 3HD2 LEU 28 3HD2 LEU 28 -4.337 -5.304 -0.815 215 H TYR 29 H TYR 29 -3.608 -5.322 -6.879 216 HA TYR 29 HA TYR 29 -4.489 -3.122 -8.386 217 1HB TYR 29 1HB TYR 29 -3.331 -4.261 -10.306 218 2HB TYR 29 2HB TYR 29 -2.340 -4.035 -8.870 219 HD1 TYR 29 HD1 TYR 29 -1.778 -5.980 -7.434 220 HD2 TYR 29 HD2 TYR 29 -3.836 -6.465 -11.131 221 HE1 TYR 29 HE1 TYR 29 -1.202 -8.365 -7.438 222 HE2 TYR 29 HE2 TYR 29 -3.267 -8.854 -11.138 223 HH TYR 29 HH TYR 29 -2.145 -10.490 -8.461 224 H ALA 30 H ALA 30 -5.854 -6.271 -7.979 225 HA ALA 30 HA ALA 30 -7.304 -6.441 -10.411 226 1HB ALA 30 1HB ALA 30 -6.902 -8.399 -9.004 227 2HB ALA 30 2HB ALA 30 -8.629 -8.169 -9.286 228 3HB ALA 30 3HB ALA 30 -7.918 -7.711 -7.737 229 H ALA 31 H ALA 31 -7.863 -4.791 -7.396 230 HA ALA 31 HA ALA 31 -10.629 -4.187 -7.849 231 1HB ALA 31 1HB ALA 31 -9.663 -4.159 -5.601 232 2HB ALA 31 2HB ALA 31 -10.368 -2.595 -6.007 233 3HB ALA 31 3HB ALA 31 -8.619 -2.813 -6.058 234 H GLY 32 H GLY 32 -7.731 -3.086 -9.145 235 1HA GLY 32 1HA GLY 32 -7.791 -1.727 -11.143 236 2HA GLY 32 2HA GLY 32 -9.096 -0.796 -10.419 237 H LEU 33 H LEU 33 -6.149 -1.818 -8.801 238 HA LEU 33 HA LEU 33 -5.636 0.850 -7.892 239 1HB LEU 33 1HB LEU 33 -5.102 -1.542 -6.823 240 2HB LEU 33 2HB LEU 33 -3.574 -1.306 -7.648 241 HG LEU 33 HG LEU 33 -4.748 0.573 -5.580 242 1HD1 LEU 33 1HD1 LEU 33 -4.070 -1.527 -4.569 243 2HD1 LEU 33 2HD1 LEU 33 -2.949 -0.246 -4.121 244 3HD1 LEU 33 3HD1 LEU 33 -2.494 -1.424 -5.352 245 1HD2 LEU 33 1HD2 LEU 33 -3.349 1.757 -7.186 246 2HD2 LEU 33 2HD2 LEU 33 -2.048 0.592 -6.935 247 3HD2 LEU 33 3HD2 LEU 33 -2.547 1.655 -5.617 248 H SER 34 H SER 34 -4.680 2.355 -9.073 249 HA SER 34 HA SER 34 -3.183 1.584 -11.462 250 1HB SER 34 1HB SER 34 -4.205 4.300 -10.591 251 2HB SER 34 2HB SER 34 -3.552 3.887 -12.175 252 HG SER 34 HG SER 34 -5.304 2.540 -12.527 253 H SER 35 H SER 35 -1.225 2.745 -12.033 254 HA SER 35 HA SER 35 0.793 2.687 -10.150 255 1HB SER 35 1HB SER 35 2.067 4.123 -11.814 256 2HB SER 35 2HB SER 35 1.338 2.665 -12.487 257 HG SER 35 HG SER 35 -0.206 3.861 -13.463 258 H PHE 36 H PHE 36 -1.083 5.485 -11.266 259 HA PHE 36 HA PHE 36 0.114 7.486 -9.750 260 1HB PHE 36 1HB PHE 36 -1.521 7.982 -11.492 261 2HB PHE 36 2HB PHE 36 -2.788 7.175 -10.579 262 HD1 PHE 36 HD2 PHE 36 -0.486 10.089 -10.529 263 HD2 PHE 36 HD1 PHE 36 -4.067 8.362 -8.997 264 HE1 PHE 36 HE2 PHE 36 -1.061 12.228 -9.460 265 HE2 PHE 36 HE1 PHE 36 -4.646 10.501 -7.928 266 HZ PHE 36 HZ PHE 36 -3.141 12.438 -8.159 267 H ALA 37 H ALA 37 -2.628 5.385 -8.911 268 HA ALA 37 HA ALA 37 -3.095 6.442 -6.345 269 1HB ALA 37 1HB ALA 37 -4.716 5.035 -7.565 270 2HB ALA 37 2HB ALA 37 -4.413 4.442 -5.934 271 3HB ALA 37 3HB ALA 37 -3.670 3.637 -7.318 272 H SER 38 H SER 38 -0.808 4.103 -7.547 273 HA SER 38 HA SER 38 -0.144 2.984 -5.009 274 1HB SER 38 1HB SER 38 1.457 2.950 -7.591 275 2HB SER 38 2HB SER 38 1.711 1.898 -6.196 276 HG SER 38 HG SER 38 -0.691 2.013 -7.706 277 H VAL 39 H VAL 39 1.579 5.235 -7.194 278 HA VAL 39 HA VAL 39 3.719 5.741 -5.435 279 HB VAL 39 HB VAL 39 4.213 7.713 -6.829 280 1HG1 VAL 39 1HG1 VAL 39 3.428 5.269 -8.425 281 2HG1 VAL 39 2HG1 VAL 39 4.959 5.521 -7.584 282 3HG1 VAL 39 3HG1 VAL 39 4.533 6.536 -8.963 283 1HG2 VAL 39 1HG2 VAL 39 2.786 8.282 -8.749 284 2HG2 VAL 39 2HG2 VAL 39 1.941 8.517 -7.219 285 3HG2 VAL 39 3HG2 VAL 39 1.593 7.099 -8.209 286 H GLN 40 H GLN 40 0.554 7.160 -5.766 287 HA GLN 40 HA GLN 40 0.984 9.507 -4.256 288 1HB GLN 40 1HB GLN 40 -0.898 9.158 -5.832 289 2HB GLN 40 2HB GLN 40 -1.583 7.969 -4.733 290 1HG GLN 40 1HG GLN 40 -1.913 9.700 -3.047 291 2HG GLN 40 2HG GLN 40 -1.181 10.896 -4.120 292 1HE2 GLN 40 1HE2 GLN 40 -3.011 12.170 -4.210 293 2HE2 GLN 40 2HE2 GLN 40 -4.444 11.689 -5.056 294 H LEU 41 H LEU 41 0.185 6.210 -3.365 295 HA LEU 41 HA LEU 41 -0.694 6.850 -0.718 296 1HB LEU 41 1HB LEU 41 -1.133 4.613 -0.468 297 2HB LEU 41 2HB LEU 41 -1.154 4.732 -2.212 298 HG LEU 41 HG LEU 41 1.435 4.048 -1.876 299 1HD1 LEU 41 1HD1 LEU 41 1.644 2.349 -0.138 300 2HD1 LEU 41 2HD1 LEU 41 0.015 2.712 0.434 301 3HD1 LEU 41 3HD1 LEU 41 1.288 3.928 0.562 302 1HD2 LEU 41 1HD2 LEU 41 -0.180 2.900 -3.309 303 2HD2 LEU 41 2HD2 LEU 41 -0.869 2.094 -1.901 304 3HD2 LEU 41 3HD2 LEU 41 0.791 1.751 -2.388 305 H MET 42 H MET 42 2.366 6.451 -2.214 306 HA MET 42 HA MET 42 3.822 5.507 0.047 307 1HB MET 42 1HB MET 42 4.930 7.017 -2.328 308 2HB MET 42 2HB MET 42 5.815 5.959 -1.240 309 1HG MET 42 1HG MET 42 4.370 4.073 -2.052 310 2HG MET 42 2HG MET 42 3.735 5.183 -3.270 311 1HE MET 42 1HE MET 42 5.437 6.495 -5.003 312 2HE MET 42 2HE MET 42 7.146 6.084 -5.149 313 3HE MET 42 3HE MET 42 6.551 6.880 -3.693 314 H LEU 43 H LEU 43 3.432 8.713 -1.431 315 HA LEU 43 HA LEU 43 5.247 10.109 0.144 316 1HB LEU 43 1HB LEU 43 2.753 10.994 -1.291 317 2HB LEU 43 2HB LEU 43 3.731 12.130 -0.383 318 HG LEU 43 HG LEU 43 5.677 11.562 -1.834 319 1HD1 LEU 43 1HD1 LEU 43 5.296 10.370 -3.933 320 2HD1 LEU 43 2HD1 LEU 43 3.647 10.001 -3.427 321 3HD1 LEU 43 3HD1 LEU 43 5.014 9.331 -2.537 322 1HD2 LEU 43 1HD2 LEU 43 4.889 12.800 -3.795 323 2HD2 LEU 43 2HD2 LEU 43 4.313 13.528 -2.296 324 3HD2 LEU 43 3HD2 LEU 43 3.219 12.555 -3.281 325 H GLY 44 H GLY 44 1.765 9.604 0.706 326 1HA GLY 44 1HA GLY 44 1.723 11.123 3.130 327 2HA GLY 44 2HA GLY 44 0.467 10.029 2.565 328 H ILE 45 H ILE 45 2.298 7.765 2.349 329 HA ILE 45 HA ILE 45 1.957 6.780 5.002 330 HB ILE 45 HB ILE 45 2.719 5.660 2.389 331 1HG1 ILE 45 1HG1 ILE 45 0.492 5.377 3.343 332 2HG1 ILE 45 2HG1 ILE 45 1.271 3.811 3.154 333 1HG2 ILE 45 1HG2 ILE 45 4.742 5.010 3.531 334 2HG2 ILE 45 2HG2 ILE 45 3.716 3.596 3.298 335 3HG2 ILE 45 3HG2 ILE 45 3.811 4.364 4.883 336 1HD1 ILE 45 1HD1 ILE 45 1.043 5.353 5.730 337 2HD1 ILE 45 2HD1 ILE 45 1.778 3.761 5.530 338 3HD1 ILE 45 3HD1 ILE 45 0.050 3.978 5.251 339 H GLU 46 H GLU 46 4.652 8.111 3.219 340 HA GLU 46 HA GLU 46 6.818 7.200 4.695 341 1HB GLU 46 1HB GLU 46 7.032 8.593 2.666 342 2HB GLU 46 2HB GLU 46 6.413 9.980 3.554 343 1HG GLU 46 1HG GLU 46 8.391 9.644 5.133 344 2HG GLU 46 2HG GLU 46 9.044 8.566 3.901 345 H GLU 47 H GLU 47 4.954 10.176 5.222 346 HA GLU 47 HA GLU 47 6.228 10.788 7.688 347 1HB GLU 47 1HB GLU 47 4.436 12.520 7.899 348 2HB GLU 47 2HB GLU 47 5.347 12.595 6.399 349 1HG GLU 47 1HG GLU 47 3.500 11.405 5.262 350 2HG GLU 47 2HG GLU 47 2.581 11.459 6.765 351 H ALA 48 H ALA 48 3.480 8.888 6.789 352 HA ALA 48 HA ALA 48 1.905 8.985 9.054 353 1HB ALA 48 1HB ALA 48 0.989 6.847 8.364 354 2HB ALA 48 2HB ALA 48 2.374 6.571 7.305 355 3HB ALA 48 3HB ALA 48 1.249 7.885 6.961 356 H PHE 49 H PHE 49 4.624 6.672 8.444 357 HA PHE 49 HA PHE 49 4.648 6.277 11.364 358 1HB PHE 49 1HB PHE 49 5.199 3.900 11.078 359 2HB PHE 49 2HB PHE 49 3.616 4.312 10.442 360 HD1 PHE 49 HD1 PHE 49 7.072 3.386 9.539 361 HD2 PHE 49 HD2 PHE 49 3.101 4.023 8.127 362 HE1 PHE 49 HE1 PHE 49 7.653 2.291 7.416 363 HE2 PHE 49 HE2 PHE 49 3.683 2.928 6.003 364 HZ PHE 49 HZ PHE 49 5.959 2.061 5.645 365 H ASP 50 H ASP 50 6.640 6.425 8.429 366 HA ASP 50 HA ASP 50 8.902 7.312 9.837 367 1HB ASP 50 1HB ASP 50 8.818 4.891 10.633 368 2HB ASP 50 2HB ASP 50 9.212 4.422 8.985 369 H ILE 51 H ILE 51 8.483 4.987 7.143 370 HA ILE 51 HA ILE 51 9.551 6.994 5.283 371 HB ILE 51 HB ILE 51 11.063 5.448 4.212 372 1HG1 ILE 51 1HG1 ILE 51 9.845 3.337 4.661 373 2HG1 ILE 51 2HG1 ILE 51 11.555 3.212 5.035 374 1HG2 ILE 51 1HG2 ILE 51 12.007 6.779 5.982 375 2HG2 ILE 51 2HG2 ILE 51 12.779 5.196 5.950 376 3HG2 ILE 51 3HG2 ILE 51 11.569 5.561 7.177 377 1HD1 ILE 51 1HD1 ILE 51 9.267 3.431 6.977 378 2HD1 ILE 51 2HD1 ILE 51 10.962 3.547 7.445 379 3HD1 ILE 51 3HD1 ILE 51 10.347 2.062 6.722 380 H GLU 52 H GLU 52 9.360 6.231 2.986 381 HA GLU 52 HA GLU 52 6.912 4.662 2.607 382 1HB GLU 52 1HB GLU 52 7.289 5.575 0.142 383 2HB GLU 52 2HB GLU 52 6.498 6.544 1.372 384 1HG GLU 52 1HG GLU 52 8.077 7.860 0.080 385 2HG GLU 52 2HG GLU 52 8.552 7.772 1.772 386 H PHE 53 H PHE 53 6.968 3.337 0.503 387 HA PHE 53 HA PHE 53 8.803 1.262 1.019 388 1HB PHE 53 1HB PHE 53 6.983 1.620 -1.373 389 2HB PHE 53 2HB PHE 53 7.717 0.109 -0.839 390 HD1 PHE 53 HD2 PHE 53 7.229 -0.495 1.701 391 HD2 PHE 53 HD1 PHE 53 4.794 2.035 -0.717 392 HE1 PHE 53 HE2 PHE 53 5.320 -0.903 3.197 393 HE2 PHE 53 HE1 PHE 53 2.886 1.631 0.783 394 HZ PHE 53 HZ PHE 53 3.148 0.161 2.740 395 HA PRO 54 HA PRO 54 12.213 2.934 -1.303 396 1HB PRO 54 1HB PRO 54 13.852 0.753 -1.126 397 2HB PRO 54 2HB PRO 54 13.600 1.889 0.206 398 1HG PRO 54 1HG PRO 54 12.291 -0.769 -0.287 399 2HG PRO 54 2HG PRO 54 12.967 -0.122 1.223 400 1HD PRO 54 1HD PRO 54 10.324 -0.077 0.735 401 2HD PRO 54 2HD PRO 54 11.126 1.249 1.605 402 H ASP 55 H ASP 55 13.055 2.808 -3.332 403 HA ASP 55 HA ASP 55 11.612 1.720 -5.415 404 1HB ASP 55 1HB ASP 55 13.440 2.318 -6.852 405 2HB ASP 55 2HB ASP 55 13.376 3.521 -5.567 406 H ASN 56 H ASN 56 14.083 0.262 -3.471 407 HA ASN 56 HA ASN 56 14.921 -1.855 -5.054 408 1HB ASN 56 1HB ASN 56 15.964 -1.273 -2.905 409 2HB ASN 56 2HB ASN 56 14.528 -1.823 -2.048 410 1HD2 ASN 56 1HD2 ASN 56 17.351 -2.787 -3.832 411 2HD2 ASN 56 2HD2 ASN 56 17.294 -4.462 -3.409 412 H LEU 57 H LEU 57 12.075 -1.648 -2.934 413 HA LEU 57 HA LEU 57 11.205 -4.277 -3.947 414 1HB LEU 57 1HB LEU 57 9.821 -4.496 -1.977 415 2HB LEU 57 2HB LEU 57 11.477 -4.173 -1.513 416 HG LEU 57 HG LEU 57 10.659 -1.688 -1.292 417 1HD1 LEU 57 1HD1 LEU 57 8.309 -1.519 -0.549 418 2HD1 LEU 57 2HD1 LEU 57 8.044 -3.185 -1.064 419 3HD1 LEU 57 3HD1 LEU 57 8.453 -1.949 -2.253 420 1HD2 LEU 57 1HD2 LEU 57 11.461 -3.065 0.559 421 2HD2 LEU 57 2HD2 LEU 57 9.868 -3.806 0.711 422 3HD2 LEU 57 3HD2 LEU 57 10.077 -2.087 1.048 423 H LEU 58 H LEU 58 10.694 -1.015 -4.359 424 HA LEU 58 HA LEU 58 7.888 -0.885 -4.661 425 1HB LEU 58 1HB LEU 58 9.665 1.022 -4.575 426 2HB LEU 58 2HB LEU 58 9.802 0.764 -6.302 427 HG LEU 58 HG LEU 58 7.214 1.489 -4.903 428 1HD1 LEU 58 1HD1 LEU 58 7.557 3.748 -5.786 429 2HD1 LEU 58 2HD1 LEU 58 9.148 3.275 -6.382 430 3HD1 LEU 58 3HD1 LEU 58 8.825 3.293 -4.648 431 1HD2 LEU 58 1HD2 LEU 58 7.962 1.473 -7.834 432 2HD2 LEU 58 2HD2 LEU 58 6.436 2.056 -7.166 433 3HD2 LEU 58 3HD2 LEU 58 6.864 0.352 -7.030 434 H ASN 59 H ASN 59 7.238 -2.725 -5.718 435 HA ASN 59 HA ASN 59 7.488 -2.813 -8.591 436 1HB ASN 59 1HB ASN 59 9.595 -3.890 -7.828 437 2HB ASN 59 2HB ASN 59 8.663 -5.034 -6.875 438 1HD2 ASN 59 1HD2 ASN 59 10.577 -5.318 -9.157 439 2HD2 ASN 59 2HD2 ASN 59 9.740 -6.302 -10.306 440 H ARG 60 H ARG 60 5.980 -4.249 -9.530 441 HA ARG 60 HA ARG 60 3.486 -4.416 -8.410 442 1HB ARG 60 1HB ARG 60 2.931 -6.008 -10.177 443 2HB ARG 60 2HB ARG 60 3.977 -4.742 -10.808 444 1HG ARG 60 1HG ARG 60 5.912 -6.301 -10.536 445 2HG ARG 60 2HG ARG 60 4.764 -7.565 -10.098 446 1HD ARG 60 1HD ARG 60 5.329 -7.792 -12.426 447 2HD ARG 60 2HD ARG 60 3.655 -7.252 -12.297 448 HE ARG 60 HE ARG 60 4.816 -4.921 -12.628 449 1HH1 ARG 60 1HH1 ARG 60 5.585 -7.936 -14.232 450 2HH1 ARG 60 2HH1 ARG 60 6.092 -7.171 -15.705 451 1HH2 ARG 60 1HH2 ARG 60 5.499 -3.905 -14.560 452 2HH2 ARG 60 2HH2 ARG 60 6.057 -4.873 -15.888 453 H LYS 61 H LYS 61 6.154 -6.643 -8.031 454 HA LYS 61 HA LYS 61 4.793 -8.903 -7.113 455 1HB LYS 61 1HB LYS 61 7.151 -8.964 -7.747 456 2HB LYS 61 2HB LYS 61 7.568 -7.923 -6.391 457 1HG LYS 61 1HG LYS 61 6.978 -9.642 -4.810 458 2HG LYS 61 2HG LYS 61 6.343 -10.666 -6.098 459 1HD LYS 61 1HD LYS 61 8.540 -11.446 -5.416 460 2HD LYS 61 2HD LYS 61 8.603 -10.829 -7.066 461 1HE LYS 61 1HE LYS 61 9.527 -8.703 -6.211 462 2HE LYS 61 2HE LYS 61 9.503 -9.367 -4.577 463 1HZ LYS 61 1HZ LYS 61 11.069 -10.435 -6.867 464 2HZ LYS 61 2HZ LYS 61 11.038 -11.095 -5.311 465 3HZ LYS 61 3HZ LYS 61 11.693 -9.556 -5.559 466 H SER 62 H SER 62 6.079 -6.134 -5.298 467 HA SER 62 HA SER 62 5.211 -7.227 -2.770 468 1HB SER 62 1HB SER 62 6.342 -4.490 -3.435 469 2HB SER 62 2HB SER 62 6.138 -5.160 -1.815 470 HG SER 62 HG SER 62 7.711 -6.635 -2.215 471 H PHE 63 H PHE 63 4.148 -4.740 -5.030 472 HA PHE 63 HA PHE 63 2.029 -3.801 -3.305 473 1HB PHE 63 1HB PHE 63 2.805 -3.184 -6.160 474 2HB PHE 63 2HB PHE 63 1.357 -2.513 -5.417 475 HD1 PHE 63 HD2 PHE 63 5.029 -2.829 -4.781 476 HD2 PHE 63 HD1 PHE 63 1.507 -0.468 -4.346 477 HE1 PHE 63 HE2 PHE 63 6.364 -1.012 -3.801 478 HE2 PHE 63 HE1 PHE 63 2.844 1.350 -3.369 479 HZ PHE 63 HZ PHE 63 5.277 1.080 -3.095 480 H ALA 64 H ALA 64 2.346 -6.591 -4.953 481 HA ALA 64 HA ALA 64 -0.159 -6.877 -6.250 482 1HB ALA 64 1HB ALA 64 1.743 -8.356 -6.712 483 2HB ALA 64 2HB ALA 64 0.319 -9.275 -6.227 484 3HB ALA 64 3HB ALA 64 1.632 -9.013 -5.079 485 H SER 65 H SER 65 0.996 -7.744 -3.011 486 HA SER 65 HA SER 65 -1.747 -7.707 -2.023 487 1HB SER 65 1HB SER 65 -1.347 -9.872 -0.795 488 2HB SER 65 2HB SER 65 -1.464 -10.044 -2.546 489 HG SER 65 HG SER 65 0.584 -10.599 -2.649 490 H ILE 66 H ILE 66 -1.898 -7.349 0.230 491 HA ILE 66 HA ILE 66 0.019 -5.449 1.069 492 HB ILE 66 HB ILE 66 -2.299 -6.654 2.583 493 1HG1 ILE 66 1HG1 ILE 66 -2.015 -4.024 1.097 494 2HG1 ILE 66 2HG1 ILE 66 -2.906 -5.429 0.526 495 1HG2 ILE 66 1HG2 ILE 66 -2.101 -4.719 4.093 496 2HG2 ILE 66 2HG2 ILE 66 -0.628 -4.227 3.257 497 3HG2 ILE 66 3HG2 ILE 66 -0.670 -5.749 4.149 498 1HD1 ILE 66 1HD1 ILE 66 -4.397 -3.743 1.408 499 2HD1 ILE 66 2HD1 ILE 66 -3.561 -3.789 2.961 500 3HD1 ILE 66 3HD1 ILE 66 -4.456 -5.202 2.398 501 H LYS 67 H LYS 67 -0.771 -8.700 2.367 502 HA LYS 67 HA LYS 67 0.790 -8.527 4.659 503 1HB LYS 67 1HB LYS 67 0.682 -10.899 4.863 504 2HB LYS 67 2HB LYS 67 -0.844 -10.360 4.183 505 1HG LYS 67 1HG LYS 67 1.382 -11.400 2.449 506 2HG LYS 67 2HG LYS 67 0.218 -12.475 3.225 507 1HD LYS 67 1HD LYS 67 -1.614 -11.289 2.096 508 2HD LYS 67 2HD LYS 67 -0.444 -10.230 1.311 509 1HE LYS 67 1HE LYS 67 -1.245 -12.099 -0.129 510 2HE LYS 67 2HE LYS 67 0.503 -12.062 0.093 511 1HZ LYS 67 1HZ LYS 67 0.363 -13.840 1.658 512 2HZ LYS 67 2HZ LYS 67 -0.493 -14.302 0.279 513 3HZ LYS 67 3HZ LYS 67 -1.330 -13.804 1.658 514 H ALA 68 H ALA 68 1.791 -9.098 1.383 515 HA ALA 68 HA ALA 68 4.387 -10.127 2.030 516 1HB ALA 68 1HB ALA 68 3.299 -10.638 -0.104 517 2HB ALA 68 2HB ALA 68 4.858 -9.850 -0.353 518 3HB ALA 68 3HB ALA 68 3.364 -8.932 -0.550 519 H ILE 69 H ILE 69 3.124 -6.965 1.002 520 HA ILE 69 HA ILE 69 5.708 -5.750 0.935 521 HB ILE 69 HB ILE 69 3.783 -4.992 -0.463 522 1HG1 ILE 69 1HG1 ILE 69 4.958 -2.812 1.286 523 2HG1 ILE 69 2HG1 ILE 69 5.796 -3.576 -0.064 524 1HG2 ILE 69 1HG2 ILE 69 2.765 -3.783 2.111 525 2HG2 ILE 69 2HG2 ILE 69 2.013 -5.098 1.207 526 3HG2 ILE 69 3HG2 ILE 69 2.107 -3.487 0.499 527 1HD1 ILE 69 1HD1 ILE 69 3.255 -1.967 -0.247 528 2HD1 ILE 69 2HD1 ILE 69 4.099 -2.729 -1.597 529 3HD1 ILE 69 3HD1 ILE 69 4.872 -1.424 -0.697 530 H GLU 70 H GLU 70 3.106 -5.896 3.330 531 HA GLU 70 HA GLU 70 4.223 -3.910 5.047 532 1HB GLU 70 1HB GLU 70 2.557 -4.616 6.686 533 2HB GLU 70 2HB GLU 70 1.829 -4.444 5.100 534 1HG GLU 70 1HG GLU 70 0.848 -6.388 5.741 535 2HG GLU 70 2HG GLU 70 2.294 -7.046 4.982 536 H ASP 71 H ASP 71 4.579 -7.365 4.726 537 HA ASP 71 HA ASP 71 5.971 -7.852 7.138 538 1HB ASP 71 1HB ASP 71 5.020 -9.679 5.831 539 2HB ASP 71 2HB ASP 71 6.081 -9.306 4.477 540 H THR 72 H THR 72 6.976 -6.808 3.951 541 HA THR 72 HA THR 72 9.776 -7.113 4.433 542 HB THR 72 HB THR 72 8.421 -5.487 2.267 543 HG1 THR 72 HG1 THR 72 7.667 -7.515 1.944 544 1HG2 THR 72 1HG2 THR 72 10.493 -5.921 1.006 545 2HG2 THR 72 2HG2 THR 72 11.168 -6.757 2.403 546 3HG2 THR 72 3HG2 THR 72 10.825 -5.029 2.490 547 H VAL 73 H VAL 73 7.505 -4.375 4.568 548 HA VAL 73 HA VAL 73 9.483 -2.375 4.888 549 HB VAL 73 HB VAL 73 7.140 -1.878 4.221 550 1HG1 VAL 73 1HG1 VAL 73 5.948 -3.325 5.766 551 2HG1 VAL 73 2HG1 VAL 73 5.405 -1.657 5.944 552 3HG1 VAL 73 3HG1 VAL 73 6.503 -2.358 7.133 553 1HG2 VAL 73 1HG2 VAL 73 8.604 -0.083 4.980 554 2HG2 VAL 73 2HG2 VAL 73 8.124 -0.373 6.652 555 3HG2 VAL 73 3HG2 VAL 73 6.942 0.221 5.486 556 H LYS 74 H LYS 74 7.932 -4.549 7.142 557 HA LYS 74 HA LYS 74 8.622 -3.349 9.575 558 1HB LYS 74 1HB LYS 74 8.418 -6.281 8.839 559 2HB LYS 74 2HB LYS 74 8.568 -5.690 10.490 560 1HG LYS 74 1HG LYS 74 6.448 -4.629 10.399 561 2HG LYS 74 2HG LYS 74 6.331 -4.862 8.655 562 1HD LYS 74 1HD LYS 74 6.251 -7.313 9.020 563 2HD LYS 74 2HD LYS 74 6.286 -7.034 10.762 564 1HE LYS 74 1HE LYS 74 4.173 -5.895 10.684 565 2HE LYS 74 2HE LYS 74 4.170 -5.922 8.920 566 1HZ LYS 74 1HZ LYS 74 3.992 -8.301 10.694 567 2HZ LYS 74 2HZ LYS 74 4.012 -8.336 9.001 568 3HZ LYS 74 3HZ LYS 74 2.718 -7.615 9.814 569 H LEU 75 H LEU 75 10.466 -5.391 7.388 570 HA LEU 75 HA LEU 75 12.708 -5.833 9.035 571 1HB LEU 75 1HB LEU 75 12.558 -5.731 6.015 572 2HB LEU 75 2HB LEU 75 13.881 -6.413 6.944 573 HG LEU 75 HG LEU 75 11.042 -7.463 6.904 574 1HD1 LEU 75 1HD1 LEU 75 12.200 -7.877 4.803 575 2HD1 LEU 75 2HD1 LEU 75 11.995 -9.377 5.709 576 3HD1 LEU 75 3HD1 LEU 75 13.567 -8.574 5.675 577 1HD2 LEU 75 1HD2 LEU 75 11.946 -9.356 8.177 578 2HD2 LEU 75 2HD2 LEU 75 12.105 -7.841 9.065 579 3HD2 LEU 75 3HD2 LEU 75 13.512 -8.547 8.268 580 H ILE 76 H ILE 76 11.798 -3.178 6.942 581 HA ILE 76 HA ILE 76 14.291 -1.863 6.796 582 HB ILE 76 HB ILE 76 11.519 -0.631 6.754 583 1HG1 ILE 76 1HG1 ILE 76 13.287 -1.548 4.464 584 2HG1 ILE 76 2HG1 ILE 76 11.833 -2.367 5.021 585 1HG2 ILE 76 1HG2 ILE 76 13.245 1.042 7.178 586 2HG2 ILE 76 2HG2 ILE 76 12.581 1.238 5.557 587 3HG2 ILE 76 3HG2 ILE 76 14.157 0.480 5.778 588 1HD1 ILE 76 1HD1 ILE 76 11.959 0.384 3.806 589 2HD1 ILE 76 2HD1 ILE 76 10.500 -0.420 4.384 590 3HD1 ILE 76 3HD1 ILE 76 11.393 -1.088 3.018 591 H LEU 77 H LEU 77 11.668 -1.767 9.148 592 HA LEU 77 HA LEU 77 12.894 0.268 10.761 593 1HB LEU 77 1HB LEU 77 10.606 -1.620 11.355 594 2HB LEU 77 2HB LEU 77 11.129 -0.327 12.422 595 HG LEU 77 HG LEU 77 9.931 -0.022 9.663 596 1HD1 LEU 77 1HD1 LEU 77 8.308 -0.514 11.406 597 2HD1 LEU 77 2HD1 LEU 77 8.142 1.150 10.849 598 3HD1 LEU 77 3HD1 LEU 77 8.936 0.809 12.388 599 1HD2 LEU 77 1HD2 LEU 77 11.006 2.112 11.516 600 2HD2 LEU 77 2HD2 LEU 77 10.096 2.403 10.033 601 3HD2 LEU 77 3HD2 LEU 77 11.685 1.643 9.957 602 H ASP 78 H ASP 78 12.947 -3.224 10.645 603 HA ASP 78 HA ASP 78 14.156 -3.734 13.139 604 1HB ASP 78 1HB ASP 78 13.293 -5.543 11.692 605 2HB ASP 78 2HB ASP 78 14.553 -5.205 10.510 606 H GLY 79 H GLY 79 15.563 -3.137 9.931 607 1HA GLY 79 1HA GLY 79 18.169 -2.595 11.201 608 2HA GLY 79 2HA GLY 79 17.917 -2.980 9.504 609 H LYS 80 H LYS 80 16.698 -0.567 11.826 610 HA LYS 80 HA LYS 80 16.154 1.502 10.083 611 1HB LYS 80 1HB LYS 80 17.039 1.469 12.962 612 2HB LYS 80 2HB LYS 80 16.781 2.998 12.132 613 1HG LYS 80 1HG LYS 80 14.680 0.849 12.301 614 2HG LYS 80 2HG LYS 80 14.847 2.137 13.495 615 1HD LYS 80 1HD LYS 80 14.462 2.616 10.535 616 2HD LYS 80 2HD LYS 80 13.150 2.584 11.710 617 1HE LYS 80 1HE LYS 80 14.096 4.469 12.891 618 2HE LYS 80 2HE LYS 80 15.519 4.453 11.850 619 1HZ LYS 80 1HZ LYS 80 14.116 5.016 9.975 620 2HZ LYS 80 2HZ LYS 80 13.949 6.171 11.199 621 3HZ LYS 80 3HZ LYS 80 12.741 5.014 10.959 622 H GLU 81 H GLU 81 19.094 1.315 12.060 623 HA GLU 81 HA GLU 81 20.488 2.970 10.071 624 1HB GLU 81 1HB GLU 81 22.128 3.388 11.861 625 2HB GLU 81 2HB GLU 81 20.498 3.844 12.336 626 1HG GLU 81 1HG GLU 81 20.314 1.674 13.549 627 2HG GLU 81 2HG GLU 81 22.014 1.383 13.181 628 H ALA 82 H ALA 82 20.142 -0.228 10.918 629 HA ALA 82 HA ALA 82 22.858 -1.092 10.517 630 1HB ALA 82 1HB ALA 82 21.940 -3.357 10.608 631 2HB ALA 82 2HB ALA 82 20.302 -2.704 10.564 632 3HB ALA 82 3HB ALA 82 21.343 -2.379 11.949 633 H ALA 83 H ALA 83 23.333 -0.119 8.522 634 HA ALA 83 HA ALA 83 22.773 -1.767 6.243 635 1HB ALA 83 1HB ALA 83 20.769 -0.344 6.212 636 2HB ALA 83 2HB ALA 83 21.811 -0.008 4.829 637 3HB ALA 83 3HB ALA 83 21.788 1.097 6.204 Start of MODEL 10 1 HA MET 1 HA MET 1 2.039 0.645 9.240 2 1HB MET 1 1HB MET 1 3.506 -1.737 10.359 3 2HB MET 1 2HB MET 1 3.819 -1.175 8.723 4 1HG MET 1 1HG MET 1 4.621 0.913 9.490 5 2HG MET 1 2HG MET 1 4.019 0.624 11.119 6 1HE MET 1 1HE MET 1 6.692 -0.347 8.417 7 2HE MET 1 2HE MET 1 5.913 -1.897 8.742 8 3HE MET 1 3HE MET 1 7.586 -1.628 9.234 9 H ASN 2 H ASN 2 1.594 -2.904 9.655 10 HA ASN 2 HA ASN 2 1.196 -3.474 6.988 11 1HB ASN 2 1HB ASN 2 0.105 -5.562 7.707 12 2HB ASN 2 2HB ASN 2 1.552 -5.226 8.647 13 1HD2 ASN 2 1HD2 ASN 2 -0.729 -6.916 9.291 14 2HD2 ASN 2 2HD2 ASN 2 -1.364 -6.312 10.784 15 H ALA 3 H ALA 3 -1.385 -2.899 9.389 16 HA ALA 3 HA ALA 3 -3.485 -2.991 7.462 17 1HB ALA 3 1HB ALA 3 -4.907 -2.158 9.276 18 2HB ALA 3 2HB ALA 3 -3.475 -1.815 10.249 19 3HB ALA 3 3HB ALA 3 -3.882 -3.480 9.830 20 H THR 4 H THR 4 -1.690 -0.441 9.071 21 HA THR 4 HA THR 4 -2.990 1.836 8.232 22 HB THR 4 HB THR 4 0.007 1.457 8.504 23 HG1 THR 4 HG1 THR 4 -2.085 1.666 10.381 24 1HG2 THR 4 1HG2 THR 4 -1.693 3.935 8.862 25 2HG2 THR 4 2HG2 THR 4 -0.607 3.614 7.507 26 3HG2 THR 4 3HG2 THR 4 0.050 3.818 9.132 27 H ILE 5 H ILE 5 -0.599 -0.094 6.515 28 HA ILE 5 HA ILE 5 -0.066 1.668 4.398 29 HB ILE 5 HB ILE 5 0.214 -1.334 4.609 30 1HG1 ILE 5 1HG1 ILE 5 2.377 0.788 4.611 31 2HG1 ILE 5 2HG1 ILE 5 1.591 0.246 6.089 32 1HG2 ILE 5 1HG2 ILE 5 1.657 -1.218 2.618 33 2HG2 ILE 5 2HG2 ILE 5 1.239 0.485 2.422 34 3HG2 ILE 5 3HG2 ILE 5 -0.006 -0.755 2.254 35 1HD1 ILE 5 1HD1 ILE 5 3.701 -0.875 5.791 36 2HD1 ILE 5 2HD1 ILE 5 3.201 -1.458 4.202 37 3HD1 ILE 5 3HD1 ILE 5 2.377 -2.033 5.652 38 H ARG 6 H ARG 6 -2.201 -1.211 4.472 39 HA ARG 6 HA ARG 6 -3.256 -0.613 1.879 40 1HB ARG 6 1HB ARG 6 -4.899 -2.441 2.380 41 2HB ARG 6 2HB ARG 6 -3.212 -2.911 2.490 42 1HG ARG 6 1HG ARG 6 -4.200 -3.959 4.308 43 2HG ARG 6 2HG ARG 6 -3.461 -2.527 5.018 44 1HD ARG 6 1HD ARG 6 -5.597 -1.404 5.096 45 2HD ARG 6 2HD ARG 6 -6.367 -2.727 4.216 46 HE ARG 6 HE ARG 6 -5.411 -4.003 6.361 47 1HH1 ARG 6 1HH1 ARG 6 -7.214 -1.007 6.119 48 2HH1 ARG 6 2HH1 ARG 6 -8.026 -1.219 7.635 49 1HH2 ARG 6 1HH2 ARG 6 -6.459 -4.274 8.367 50 2HH2 ARG 6 2HH2 ARG 6 -7.587 -3.078 8.924 51 H GLU 7 H GLU 7 -3.989 0.378 5.072 52 HA GLU 7 HA GLU 7 -6.721 1.077 4.684 53 1HB GLU 7 1HB GLU 7 -5.771 0.696 6.913 54 2HB GLU 7 2HB GLU 7 -4.710 2.082 6.713 55 1HG GLU 7 1HG GLU 7 -6.631 3.575 6.664 56 2HG GLU 7 2HG GLU 7 -7.726 2.198 6.794 57 H ILE 8 H ILE 8 -3.653 2.774 4.218 58 HA ILE 8 HA ILE 8 -4.660 5.382 4.084 59 HB ILE 8 HB ILE 8 -2.185 4.706 4.151 60 1HG1 ILE 8 1HG1 ILE 8 -3.126 6.882 2.257 61 2HG1 ILE 8 2HG1 ILE 8 -2.960 7.025 4.003 62 1HG2 ILE 8 1HG2 ILE 8 -1.027 4.551 2.011 63 2HG2 ILE 8 2HG2 ILE 8 -2.565 4.639 1.153 64 3HG2 ILE 8 3HG2 ILE 8 -2.203 3.247 2.172 65 1HD1 ILE 8 1HD1 ILE 8 -1.129 8.103 2.872 66 2HD1 ILE 8 2HD1 ILE 8 -0.726 6.602 2.039 67 3HD1 ILE 8 3HD1 ILE 8 -0.548 6.714 3.791 68 H LEU 9 H LEU 9 -4.601 2.825 1.694 69 HA LEU 9 HA LEU 9 -5.055 4.253 -0.647 70 1HB LEU 9 1HB LEU 9 -5.922 1.506 0.225 71 2HB LEU 9 2HB LEU 9 -6.393 2.138 -1.338 72 HG LEU 9 HG LEU 9 -4.469 0.705 -1.595 73 1HD1 LEU 9 1HD1 LEU 9 -2.924 2.230 -2.712 74 2HD1 LEU 9 2HD1 LEU 9 -3.687 3.603 -1.912 75 3HD1 LEU 9 3HD1 LEU 9 -4.601 2.635 -3.071 76 1HD2 LEU 9 1HD2 LEU 9 -2.318 1.197 -0.553 77 2HD2 LEU 9 2HD2 LEU 9 -3.554 0.867 0.660 78 3HD2 LEU 9 3HD2 LEU 9 -3.047 2.528 0.347 79 H ALA 10 H ALA 10 -7.205 3.639 2.005 80 HA ALA 10 HA ALA 10 -9.648 4.090 0.603 81 1HB ALA 10 1HB ALA 10 -9.550 2.808 2.690 82 2HB ALA 10 2HB ALA 10 -10.674 4.160 2.812 83 3HB ALA 10 3HB ALA 10 -9.084 4.266 3.566 84 H LYS 11 H LYS 11 -7.337 6.174 2.213 85 HA LYS 11 HA LYS 11 -9.191 8.453 1.925 86 1HB LYS 11 1HB LYS 11 -7.815 9.535 3.725 87 2HB LYS 11 2HB LYS 11 -8.713 8.110 4.229 88 1HG LYS 11 1HG LYS 11 -6.686 6.762 4.102 89 2HG LYS 11 2HG LYS 11 -5.776 8.165 3.546 90 1HD LYS 11 1HD LYS 11 -6.279 9.314 5.671 91 2HD LYS 11 2HD LYS 11 -7.158 7.885 6.222 92 1HE LYS 11 1HE LYS 11 -5.094 6.566 6.074 93 2HE LYS 11 2HE LYS 11 -4.221 7.995 5.523 94 1HZ LYS 11 1HZ LYS 11 -4.730 9.069 7.632 95 2HZ LYS 11 2HZ LYS 11 -3.893 7.619 7.881 96 3HZ LYS 11 3HZ LYS 11 -5.558 7.688 8.157 97 H PHE 12 H PHE 12 -6.244 7.197 0.756 98 HA PHE 12 HA PHE 12 -5.572 9.818 -0.432 99 1HB PHE 12 1HB PHE 12 -3.759 7.748 0.772 100 2HB PHE 12 2HB PHE 12 -3.165 8.735 -0.557 101 HD1 PHE 12 HD1 PHE 12 -4.259 8.758 2.947 102 HD2 PHE 12 HD2 PHE 12 -2.710 11.085 -0.262 103 HE1 PHE 12 HE1 PHE 12 -3.681 10.550 4.529 104 HE2 PHE 12 HE2 PHE 12 -2.131 12.878 1.315 105 HZ PHE 12 HZ PHE 12 -2.613 12.612 3.715 106 H GLY 13 H GLY 13 -5.698 6.327 -0.874 107 1HA GLY 13 1HA GLY 13 -4.677 6.313 -3.526 108 2HA GLY 13 2HA GLY 13 -5.591 5.022 -2.762 109 H GLN 14 H GLN 14 -5.622 7.095 -5.290 110 HA GLN 14 HA GLN 14 -8.416 7.792 -5.322 111 1HB GLN 14 1HB GLN 14 -6.606 9.145 -6.438 112 2HB GLN 14 2HB GLN 14 -6.444 7.857 -7.623 113 1HG GLN 14 1HG GLN 14 -8.811 8.195 -8.265 114 2HG GLN 14 2HG GLN 14 -8.898 9.542 -7.131 115 1HE2 GLN 14 1HE2 GLN 14 -7.642 8.423 -10.162 116 2HE2 GLN 14 2HE2 GLN 14 -7.123 9.962 -10.753 117 H LEU 15 H LEU 15 -8.424 5.200 -4.837 118 HA LEU 15 HA LEU 15 -8.673 3.583 -7.195 119 1HB LEU 15 1HB LEU 15 -8.070 2.750 -4.875 120 2HB LEU 15 2HB LEU 15 -9.738 3.035 -4.417 121 HG LEU 15 HG LEU 15 -10.468 1.380 -6.123 122 1HD1 LEU 15 1HD1 LEU 15 -7.518 0.823 -6.428 123 2HD1 LEU 15 2HD1 LEU 15 -8.554 1.572 -7.641 124 3HD1 LEU 15 3HD1 LEU 15 -8.838 -0.097 -7.153 125 1HD2 LEU 15 1HD2 LEU 15 -8.471 0.343 -4.107 126 2HD2 LEU 15 2HD2 LEU 15 -9.723 -0.611 -4.902 127 3HD2 LEU 15 3HD2 LEU 15 -10.173 0.692 -3.801 128 HA PRO 16 HA PRO 16 -12.831 5.113 -8.055 129 1HB PRO 16 1HB PRO 16 -13.391 3.400 -10.110 130 2HB PRO 16 2HB PRO 16 -12.376 4.835 -10.308 131 1HG PRO 16 1HG PRO 16 -11.588 1.968 -10.009 132 2HG PRO 16 2HG PRO 16 -10.866 3.233 -11.019 133 1HD PRO 16 1HD PRO 16 -9.816 2.391 -8.631 134 2HD PRO 16 2HD PRO 16 -9.550 4.013 -9.306 135 H THR 17 H THR 17 -11.829 2.036 -7.120 136 HA THR 17 HA THR 17 -14.518 0.936 -6.836 137 HB THR 17 HB THR 17 -11.745 -0.245 -6.932 138 HG1 THR 17 HG1 THR 17 -12.526 -1.190 -8.833 139 1HG2 THR 17 1HG2 THR 17 -12.763 -2.464 -6.751 140 2HG2 THR 17 2HG2 THR 17 -14.327 -1.715 -6.426 141 3HG2 THR 17 3HG2 THR 17 -12.996 -1.514 -5.285 142 HA PRO 18 HA PRO 18 -14.350 1.656 -2.440 143 1HB PRO 18 1HB PRO 18 -15.862 -0.485 -1.577 144 2HB PRO 18 2HB PRO 18 -16.537 1.008 -2.236 145 1HG PRO 18 1HG PRO 18 -16.054 -1.614 -3.600 146 2HG PRO 18 2HG PRO 18 -17.451 -0.527 -3.723 147 1HD PRO 18 1HD PRO 18 -15.555 -0.604 -5.626 148 2HD PRO 18 2HD PRO 18 -16.350 0.919 -5.179 149 H VAL 19 H VAL 19 -12.697 1.265 -1.118 150 HA VAL 19 HA VAL 19 -10.909 -0.888 -1.342 151 HB VAL 19 HB VAL 19 -11.380 0.937 1.037 152 1HG1 VAL 19 1HG1 VAL 19 -9.084 0.375 1.707 153 2HG1 VAL 19 2HG1 VAL 19 -8.983 -0.791 0.388 154 3HG1 VAL 19 3HG1 VAL 19 -10.124 -1.048 1.709 155 1HG2 VAL 19 1HG2 VAL 19 -9.427 1.158 -1.262 156 2HG2 VAL 19 2HG2 VAL 19 -9.492 2.234 0.134 157 3HG2 VAL 19 3HG2 VAL 19 -10.845 2.175 -0.996 158 H ASP 20 H ASP 20 -13.942 -0.633 0.200 159 HA ASP 20 HA ASP 20 -13.849 -2.525 2.222 160 1HB ASP 20 1HB ASP 20 -15.780 -1.113 1.883 161 2HB ASP 20 2HB ASP 20 -16.083 -1.828 0.304 162 H THR 21 H THR 21 -13.821 -3.034 -1.243 163 HA THR 21 HA THR 21 -14.603 -5.823 -1.005 164 HB THR 21 HB THR 21 -15.325 -4.423 -2.963 165 HG1 THR 21 HG1 THR 21 -14.345 -6.951 -2.959 166 1HG2 THR 21 1HG2 THR 21 -13.202 -3.223 -3.337 167 2HG2 THR 21 2HG2 THR 21 -13.757 -4.045 -4.794 168 3HG2 THR 21 3HG2 THR 21 -12.444 -4.733 -3.838 169 H ILE 22 H ILE 22 -11.647 -3.980 -1.230 170 HA ILE 22 HA ILE 22 -10.092 -6.368 -1.907 171 HB ILE 22 HB ILE 22 -8.132 -4.859 -2.002 172 1HG1 ILE 22 1HG1 ILE 22 -10.155 -2.659 -1.476 173 2HG1 ILE 22 2HG1 ILE 22 -8.897 -3.178 -0.361 174 1HG2 ILE 22 1HG2 ILE 22 -10.480 -3.946 -3.670 175 2HG2 ILE 22 2HG2 ILE 22 -9.433 -5.321 -4.016 176 3HG2 ILE 22 3HG2 ILE 22 -8.777 -3.685 -4.054 177 1HD1 ILE 22 1HD1 ILE 22 -8.449 -1.919 -3.061 178 2HD1 ILE 22 2HD1 ILE 22 -7.190 -2.434 -1.937 179 3HD1 ILE 22 3HD1 ILE 22 -8.284 -1.124 -1.496 180 H ALA 23 H ALA 23 -7.817 -6.250 -0.618 181 HA ALA 23 HA ALA 23 -8.004 -5.791 2.180 182 1HB ALA 23 1HB ALA 23 -9.568 -7.682 2.039 183 2HB ALA 23 2HB ALA 23 -8.111 -8.121 2.928 184 3HB ALA 23 3HB ALA 23 -8.320 -8.656 1.261 185 H ASP 24 H ASP 24 -6.186 -7.176 3.303 186 HA ASP 24 HA ASP 24 -3.727 -6.459 2.162 187 1HB ASP 24 1HB ASP 24 -4.271 -8.559 4.287 188 2HB ASP 24 2HB ASP 24 -2.708 -7.824 3.952 189 H GLU 25 H GLU 25 -5.619 -9.362 1.940 190 HA GLU 25 HA GLU 25 -3.473 -10.803 0.542 191 1HB GLU 25 1HB GLU 25 -6.097 -11.824 1.659 192 2HB GLU 25 2HB GLU 25 -4.809 -12.809 0.975 193 1HG GLU 25 1HG GLU 25 -3.314 -12.143 2.775 194 2HG GLU 25 2HG GLU 25 -4.567 -11.100 3.448 195 H ALA 26 H ALA 26 -5.517 -8.675 -0.490 196 HA ALA 26 HA ALA 26 -6.611 -10.296 -2.707 197 1HB ALA 26 1HB ALA 26 -8.329 -9.213 -1.320 198 2HB ALA 26 2HB ALA 26 -8.333 -8.608 -2.976 199 3HB ALA 26 3HB ALA 26 -7.620 -7.641 -1.687 200 H ASP 27 H ASP 27 -6.303 -9.630 -4.803 201 HA ASP 27 HA ASP 27 -3.950 -8.146 -5.366 202 1HB ASP 27 1HB ASP 27 -6.168 -9.125 -7.187 203 2HB ASP 27 2HB ASP 27 -4.669 -8.398 -7.760 204 H LEU 28 H LEU 28 -4.033 -6.074 -4.699 205 HA LEU 28 HA LEU 28 -6.175 -4.328 -4.687 206 1HB LEU 28 1HB LEU 28 -3.285 -3.558 -5.118 207 2HB LEU 28 2HB LEU 28 -4.551 -2.542 -4.453 208 HG LEU 28 HG LEU 28 -3.400 -5.017 -3.142 209 1HD1 LEU 28 1HD1 LEU 28 -1.834 -3.156 -3.139 210 2HD1 LEU 28 2HD1 LEU 28 -2.462 -3.443 -1.515 211 3HD1 LEU 28 3HD1 LEU 28 -3.072 -2.091 -2.472 212 1HD2 LEU 28 1HD2 LEU 28 -5.757 -4.726 -2.575 213 2HD2 LEU 28 2HD2 LEU 28 -5.456 -3.049 -2.122 214 3HD2 LEU 28 3HD2 LEU 28 -4.731 -4.357 -1.189 215 H TYR 29 H TYR 29 -3.686 -4.705 -7.188 216 HA TYR 29 HA TYR 29 -4.581 -2.632 -8.857 217 1HB TYR 29 1HB TYR 29 -3.187 -3.744 -10.621 218 2HB TYR 29 2HB TYR 29 -2.340 -3.422 -9.115 219 HD1 TYR 29 HD2 TYR 29 -1.936 -5.333 -7.513 220 HD2 TYR 29 HD1 TYR 29 -3.345 -5.957 -11.484 221 HE1 TYR 29 HE2 TYR 29 -1.225 -7.678 -7.392 222 HE2 TYR 29 HE1 TYR 29 -2.633 -8.308 -11.369 223 HH TYR 29 HH TYR 29 -1.862 -9.850 -8.509 224 H ALA 30 H ALA 30 -5.727 -5.871 -8.453 225 HA ALA 30 HA ALA 30 -6.974 -6.186 -10.987 226 1HB ALA 30 1HB ALA 30 -6.469 -8.094 -9.538 227 2HB ALA 30 2HB ALA 30 -8.181 -8.045 -9.959 228 3HB ALA 30 3HB ALA 30 -7.648 -7.518 -8.361 229 H ALA 31 H ALA 31 -7.902 -4.633 -8.009 230 HA ALA 31 HA ALA 31 -10.692 -4.389 -8.634 231 1HB ALA 31 1HB ALA 31 -9.893 -4.378 -6.319 232 2HB ALA 31 2HB ALA 31 -10.788 -2.906 -6.697 233 3HB ALA 31 3HB ALA 31 -9.026 -2.874 -6.621 234 H GLY 32 H GLY 32 -7.861 -2.733 -9.558 235 1HA GLY 32 1HA GLY 32 -8.124 -1.317 -11.557 236 2HA GLY 32 2HA GLY 32 -9.494 -0.569 -10.753 237 H LEU 33 H LEU 33 -6.446 -1.376 -9.193 238 HA LEU 33 HA LEU 33 -6.177 1.259 -8.147 239 1HB LEU 33 1HB LEU 33 -5.388 -0.762 -6.959 240 2HB LEU 33 2HB LEU 33 -4.167 -1.000 -8.193 241 HG LEU 33 HG LEU 33 -3.107 1.143 -7.546 242 1HD1 LEU 33 1HD1 LEU 33 -5.156 1.170 -5.329 243 2HD1 LEU 33 2HD1 LEU 33 -5.080 2.291 -6.689 244 3HD1 LEU 33 3HD1 LEU 33 -3.788 2.271 -5.490 245 1HD2 LEU 33 1HD2 LEU 33 -2.312 -0.951 -6.570 246 2HD2 LEU 33 2HD2 LEU 33 -3.484 -0.799 -5.261 247 3HD2 LEU 33 3HD2 LEU 33 -2.176 0.376 -5.416 248 H SER 34 H SER 34 -5.156 2.963 -8.961 249 HA SER 34 HA SER 34 -3.817 2.698 -11.540 250 1HB SER 34 1HB SER 34 -4.676 5.195 -10.048 251 2HB SER 34 2HB SER 34 -4.145 5.107 -11.731 252 HG SER 34 HG SER 34 -6.024 3.443 -11.765 253 H SER 35 H SER 35 -1.772 3.606 -11.937 254 HA SER 35 HA SER 35 0.193 3.018 -10.073 255 1HB SER 35 1HB SER 35 0.613 3.140 -12.493 256 2HB SER 35 2HB SER 35 0.362 4.883 -12.461 257 HG SER 35 HG SER 35 2.433 4.942 -12.129 258 H PHE 36 H PHE 36 -1.118 6.202 -10.977 259 HA PHE 36 HA PHE 36 0.573 7.704 -9.287 260 1HB PHE 36 1HB PHE 36 -2.182 8.471 -10.287 261 2HB PHE 36 2HB PHE 36 -0.919 9.569 -9.737 262 HD1 PHE 36 HD2 PHE 36 1.208 9.752 -11.078 263 HD2 PHE 36 HD1 PHE 36 -2.239 7.700 -12.517 264 HE1 PHE 36 HE2 PHE 36 2.088 9.883 -13.372 265 HE2 PHE 36 HE1 PHE 36 -1.359 7.827 -14.810 266 HZ PHE 36 HZ PHE 36 0.804 8.920 -15.240 267 H ALA 37 H ALA 37 -2.683 6.384 -8.831 268 HA ALA 37 HA ALA 37 -3.207 7.373 -6.272 269 1HB ALA 37 1HB ALA 37 -4.787 5.525 -6.041 270 2HB ALA 37 2HB ALA 37 -4.032 4.690 -7.400 271 3HB ALA 37 3HB ALA 37 -4.880 6.213 -7.664 272 H SER 38 H SER 38 -1.191 4.731 -7.349 273 HA SER 38 HA SER 38 -0.743 3.618 -4.742 274 1HB SER 38 1HB SER 38 0.879 3.250 -7.281 275 2HB SER 38 2HB SER 38 0.912 2.214 -5.853 276 HG SER 38 HG SER 38 -1.327 2.661 -7.545 277 H VAL 39 H VAL 39 0.920 5.906 -6.856 278 HA VAL 39 HA VAL 39 3.278 6.200 -5.340 279 HB VAL 39 HB VAL 39 1.904 8.251 -7.106 280 1HG1 VAL 39 1HG1 VAL 39 3.517 9.309 -5.614 281 2HG1 VAL 39 2HG1 VAL 39 4.117 9.310 -7.273 282 3HG1 VAL 39 3HG1 VAL 39 4.756 8.153 -6.106 283 1HG2 VAL 39 1HG2 VAL 39 4.091 6.262 -7.749 284 2HG2 VAL 39 2HG2 VAL 39 3.481 7.507 -8.842 285 3HG2 VAL 39 3HG2 VAL 39 2.422 6.197 -8.319 286 H GLN 40 H GLN 40 0.236 8.032 -5.334 287 HA GLN 40 HA GLN 40 0.893 9.888 -3.355 288 1HB GLN 40 1HB GLN 40 -1.085 10.038 -4.838 289 2HB GLN 40 2HB GLN 40 -1.824 8.699 -3.970 290 1HG GLN 40 1HG GLN 40 -1.959 10.021 -1.953 291 2HG GLN 40 2HG GLN 40 -1.091 11.347 -2.729 292 1HE2 GLN 40 1HE2 GLN 40 -3.753 11.312 -1.526 293 2HE2 GLN 40 2HE2 GLN 40 -4.855 11.791 -2.764 294 H LEU 41 H LEU 41 -0.154 6.552 -3.110 295 HA LEU 41 HA LEU 41 -0.933 6.595 -0.397 296 1HB LEU 41 1HB LEU 41 -1.484 4.441 -0.733 297 2HB LEU 41 2HB LEU 41 -1.087 4.746 -2.407 298 HG LEU 41 HG LEU 41 1.308 3.925 -1.732 299 1HD1 LEU 41 1HD1 LEU 41 0.937 3.842 0.683 300 2HD1 LEU 41 2HD1 LEU 41 1.324 2.245 0.046 301 3HD1 LEU 41 3HD1 LEU 41 -0.344 2.651 0.455 302 1HD2 LEU 41 1HD2 LEU 41 0.673 1.617 -2.255 303 2HD2 LEU 41 2HD2 LEU 41 -0.159 2.768 -3.298 304 3HD2 LEU 41 3HD2 LEU 41 -1.020 2.012 -1.959 305 H MET 42 H MET 42 2.204 5.939 -1.959 306 HA MET 42 HA MET 42 3.422 5.102 0.492 307 1HB MET 42 1HB MET 42 5.508 5.008 -0.735 308 2HB MET 42 2HB MET 42 4.226 4.282 -1.689 309 1HG MET 42 1HG MET 42 4.064 6.386 -2.983 310 2HG MET 42 2HG MET 42 5.445 7.005 -2.079 311 1HE MET 42 1HE MET 42 5.616 3.391 -4.949 312 2HE MET 42 2HE MET 42 4.162 4.338 -4.629 313 3HE MET 42 3HE MET 42 4.839 3.305 -3.369 314 H LEU 43 H LEU 43 3.244 8.148 -1.286 315 HA LEU 43 HA LEU 43 5.124 9.588 0.234 316 1HB LEU 43 1HB LEU 43 2.770 10.371 -1.442 317 2HB LEU 43 2HB LEU 43 3.500 11.582 -0.406 318 HG LEU 43 HG LEU 43 4.390 11.763 -2.657 319 1HD1 LEU 43 1HD1 LEU 43 6.778 11.632 -2.171 320 2HD1 LEU 43 2HD1 LEU 43 6.444 10.637 -0.752 321 3HD1 LEU 43 3HD1 LEU 43 5.881 12.309 -0.811 322 1HD2 LEU 43 1HD2 LEU 43 4.055 9.472 -3.414 323 2HD2 LEU 43 2HD2 LEU 43 5.323 8.908 -2.324 324 3HD2 LEU 43 3HD2 LEU 43 5.724 9.976 -3.670 325 H GLY 44 H GLY 44 1.615 9.180 0.678 326 1HA GLY 44 1HA GLY 44 1.467 10.711 3.070 327 2HA GLY 44 2HA GLY 44 0.278 9.540 2.515 328 H ILE 45 H ILE 45 1.892 7.267 2.419 329 HA ILE 45 HA ILE 45 1.763 6.391 5.091 330 HB ILE 45 HB ILE 45 2.592 5.214 2.503 331 1HG1 ILE 45 1HG1 ILE 45 0.316 4.967 3.349 332 2HG1 ILE 45 2HG1 ILE 45 1.106 3.396 3.242 333 1HG2 ILE 45 1HG2 ILE 45 4.548 4.601 3.796 334 2HG2 ILE 45 2HG2 ILE 45 3.537 3.182 3.520 335 3HG2 ILE 45 3HG2 ILE 45 3.526 3.981 5.092 336 1HD1 ILE 45 1HD1 ILE 45 0.740 5.009 5.759 337 2HD1 ILE 45 2HD1 ILE 45 1.494 3.419 5.645 338 3HD1 ILE 45 3HD1 ILE 45 -0.219 3.612 5.272 339 H GLU 46 H GLU 46 4.366 7.763 3.205 340 HA GLU 46 HA GLU 46 6.578 7.009 4.723 341 1HB GLU 46 1HB GLU 46 6.799 8.220 2.609 342 2HB GLU 46 2HB GLU 46 6.033 9.636 3.314 343 1HG GLU 46 1HG GLU 46 7.954 9.705 4.963 344 2HG GLU 46 2HG GLU 46 8.741 8.492 3.954 345 H GLU 47 H GLU 47 4.632 9.979 5.039 346 HA GLU 47 HA GLU 47 5.857 10.725 7.503 347 1HB GLU 47 1HB GLU 47 4.057 12.457 7.605 348 2HB GLU 47 2HB GLU 47 4.989 12.476 6.116 349 1HG GLU 47 1HG GLU 47 3.192 11.325 4.948 350 2HG GLU 47 2HG GLU 47 2.261 11.237 6.443 351 H ALA 48 H ALA 48 3.129 8.789 6.611 352 HA ALA 48 HA ALA 48 1.535 8.887 8.856 353 1HB ALA 48 1HB ALA 48 2.090 6.451 7.166 354 2HB ALA 48 2HB ALA 48 0.919 7.715 6.799 355 3HB ALA 48 3HB ALA 48 0.695 6.697 8.221 356 H PHE 49 H PHE 49 4.347 6.666 8.347 357 HA PHE 49 HA PHE 49 4.311 6.313 11.274 358 1HB PHE 49 1HB PHE 49 4.761 3.987 11.147 359 2HB PHE 49 2HB PHE 49 3.398 4.304 10.086 360 HD1 PHE 49 HD1 PHE 49 3.650 4.113 7.643 361 HD2 PHE 49 HD2 PHE 49 6.879 3.235 10.285 362 HE1 PHE 49 HE1 PHE 49 4.821 2.927 5.833 363 HE2 PHE 49 HE2 PHE 49 8.046 2.063 8.468 364 HZ PHE 49 HZ PHE 49 7.017 1.905 6.242 365 H ASP 50 H ASP 50 6.357 6.537 8.379 366 HA ASP 50 HA ASP 50 8.550 7.562 9.773 367 1HB ASP 50 1HB ASP 50 8.641 5.260 10.753 368 2HB ASP 50 2HB ASP 50 8.927 4.620 9.139 369 H ILE 51 H ILE 51 8.397 5.071 7.181 370 HA ILE 51 HA ILE 51 9.330 7.083 5.257 371 HB ILE 51 HB ILE 51 11.081 5.733 4.353 372 1HG1 ILE 51 1HG1 ILE 51 10.144 3.494 4.657 373 2HG1 ILE 51 2HG1 ILE 51 11.779 3.564 5.295 374 1HG2 ILE 51 1HG2 ILE 51 11.365 5.872 7.347 375 2HG2 ILE 51 2HG2 ILE 51 11.734 7.150 6.191 376 3HG2 ILE 51 3HG2 ILE 51 12.690 5.668 6.204 377 1HD1 ILE 51 1HD1 ILE 51 10.813 3.777 7.577 378 2HD1 ILE 51 2HD1 ILE 51 10.431 2.260 6.765 379 3HD1 ILE 51 3HD1 ILE 51 9.214 3.530 6.871 380 H GLU 52 H GLU 52 9.488 5.982 2.985 381 HA GLU 52 HA GLU 52 7.067 4.358 2.619 382 1HB GLU 52 1HB GLU 52 7.223 5.233 0.195 383 2HB GLU 52 2HB GLU 52 6.630 6.310 1.446 384 1HG GLU 52 1HG GLU 52 8.063 7.530 -0.006 385 2HG GLU 52 2HG GLU 52 8.857 7.364 1.555 386 H PHE 53 H PHE 53 7.172 3.066 0.507 387 HA PHE 53 HA PHE 53 9.041 1.017 1.003 388 1HB PHE 53 1HB PHE 53 7.202 1.405 -1.369 389 2HB PHE 53 2HB PHE 53 7.993 -0.102 -0.914 390 HD1 PHE 53 HD1 PHE 53 7.469 -1.037 1.427 391 HD2 PHE 53 HD2 PHE 53 5.091 1.919 -0.515 392 HE1 PHE 53 HE1 PHE 53 5.579 -1.590 2.899 393 HE2 PHE 53 HE2 PHE 53 3.201 1.367 0.957 394 HZ PHE 53 HZ PHE 53 3.446 -0.390 2.667 395 HA PRO 54 HA PRO 54 12.398 2.692 -1.474 396 1HB PRO 54 1HB PRO 54 14.115 0.614 -1.099 397 2HB PRO 54 2HB PRO 54 13.801 1.829 0.150 398 1HG PRO 54 1HG PRO 54 12.583 -0.900 -0.173 399 2HG PRO 54 2HG PRO 54 13.262 -0.154 1.289 400 1HD PRO 54 1HD PRO 54 10.615 -0.191 0.843 401 2HD PRO 54 2HD PRO 54 11.398 1.209 1.605 402 H ASP 55 H ASP 55 13.273 2.304 -3.509 403 HA ASP 55 HA ASP 55 11.615 1.053 -5.353 404 1HB ASP 55 1HB ASP 55 13.334 1.498 -7.013 405 2HB ASP 55 2HB ASP 55 13.207 2.862 -5.909 406 H ASN 56 H ASN 56 14.211 -0.296 -3.498 407 HA ASN 56 HA ASN 56 14.950 -2.513 -4.999 408 1HB ASN 56 1HB ASN 56 16.008 -1.788 -2.856 409 2HB ASN 56 2HB ASN 56 14.609 -2.400 -1.985 410 1HD2 ASN 56 1HD2 ASN 56 17.458 -3.131 -1.861 411 2HD2 ASN 56 2HD2 ASN 56 17.519 -4.834 -2.152 412 H LEU 57 H LEU 57 12.231 -2.166 -2.726 413 HA LEU 57 HA LEU 57 11.233 -4.801 -3.576 414 1HB LEU 57 1HB LEU 57 9.864 -4.800 -1.574 415 2HB LEU 57 2HB LEU 57 11.540 -4.498 -1.162 416 HG LEU 57 HG LEU 57 10.817 -1.975 -1.174 417 1HD1 LEU 57 1HD1 LEU 57 8.160 -3.347 -0.745 418 2HD1 LEU 57 2HD1 LEU 57 8.586 -2.263 -2.071 419 3HD1 LEU 57 3HD1 LEU 57 8.496 -1.646 -0.423 420 1HD2 LEU 57 1HD2 LEU 57 10.266 -2.114 1.197 421 2HD2 LEU 57 2HD2 LEU 57 11.601 -3.191 0.792 422 3HD2 LEU 57 3HD2 LEU 57 9.983 -3.849 1.042 423 H LEU 58 H LEU 58 10.753 -1.499 -4.048 424 HA LEU 58 HA LEU 58 7.949 -1.357 -4.355 425 1HB LEU 58 1HB LEU 58 9.709 0.535 -4.178 426 2HB LEU 58 2HB LEU 58 9.921 0.324 -5.902 427 HG LEU 58 HG LEU 58 7.283 1.045 -4.598 428 1HD1 LEU 58 1HD1 LEU 58 8.916 2.813 -4.231 429 2HD1 LEU 58 2HD1 LEU 58 7.691 3.319 -5.392 430 3HD1 LEU 58 3HD1 LEU 58 9.295 2.843 -5.953 431 1HD2 LEU 58 1HD2 LEU 58 8.154 1.108 -7.494 432 2HD2 LEU 58 2HD2 LEU 58 6.613 1.697 -6.871 433 3HD2 LEU 58 3HD2 LEU 58 7.003 -0.019 -6.774 434 H ASN 59 H ASN 59 7.205 -3.082 -5.520 435 HA ASN 59 HA ASN 59 7.362 -2.919 -8.385 436 1HB ASN 59 1HB ASN 59 9.436 -4.179 -7.880 437 2HB ASN 59 2HB ASN 59 8.495 -5.368 -6.986 438 1HD2 ASN 59 1HD2 ASN 59 9.366 -4.163 -10.116 439 2HD2 ASN 59 2HD2 ASN 59 8.697 -5.468 -11.032 440 H ARG 60 H ARG 60 5.836 -4.355 -9.413 441 HA ARG 60 HA ARG 60 3.341 -4.476 -8.282 442 1HB ARG 60 1HB ARG 60 2.735 -6.021 -10.077 443 2HB ARG 60 2HB ARG 60 3.800 -4.761 -10.691 444 1HG ARG 60 1HG ARG 60 5.702 -6.315 -10.554 445 2HG ARG 60 2HG ARG 60 4.616 -7.576 -9.972 446 1HD ARG 60 1HD ARG 60 3.358 -7.451 -12.085 447 2HD ARG 60 2HD ARG 60 4.473 -6.211 -12.665 448 HE ARG 60 HE ARG 60 5.233 -9.003 -12.060 449 1HH1 ARG 60 1HH1 ARG 60 5.623 -6.059 -13.930 450 2HH1 ARG 60 2HH1 ARG 60 6.928 -6.699 -14.883 451 1HH2 ARG 60 1HH2 ARG 60 6.944 -9.832 -13.319 452 2HH2 ARG 60 2HH2 ARG 60 7.666 -8.833 -14.544 453 H LYS 61 H LYS 61 5.910 -6.847 -8.118 454 HA LYS 61 HA LYS 61 4.583 -9.097 -7.215 455 1HB LYS 61 1HB LYS 61 6.939 -9.082 -7.875 456 2HB LYS 61 2HB LYS 61 7.349 -8.078 -6.497 457 1HG LYS 61 1HG LYS 61 6.109 -10.763 -6.060 458 2HG LYS 61 2HG LYS 61 7.819 -10.638 -6.454 459 1HD LYS 61 1HD LYS 61 8.112 -9.133 -4.502 460 2HD LYS 61 2HD LYS 61 6.412 -9.376 -4.097 461 1HE LYS 61 1HE LYS 61 8.588 -11.467 -4.158 462 2HE LYS 61 2HE LYS 61 7.755 -10.839 -2.736 463 1HZ LYS 61 1HZ LYS 61 5.667 -11.763 -3.735 464 2HZ LYS 61 2HZ LYS 61 6.798 -12.918 -3.248 465 3HZ LYS 61 3HZ LYS 61 6.629 -12.546 -4.887 466 H SER 62 H SER 62 6.127 -6.581 -5.246 467 HA SER 62 HA SER 62 5.409 -7.793 -2.787 468 1HB SER 62 1HB SER 62 6.338 -4.964 -3.314 469 2HB SER 62 2HB SER 62 6.426 -5.835 -1.782 470 HG SER 62 HG SER 62 8.310 -5.735 -3.461 471 H PHE 63 H PHE 63 4.121 -5.029 -4.606 472 HA PHE 63 HA PHE 63 2.208 -4.287 -2.631 473 1HB PHE 63 1HB PHE 63 2.410 -3.622 -5.576 474 2HB PHE 63 2HB PHE 63 1.186 -2.940 -4.509 475 HD1 PHE 63 HD1 PHE 63 1.933 -1.564 -2.529 476 HD2 PHE 63 HD2 PHE 63 4.583 -2.704 -5.663 477 HE1 PHE 63 HE1 PHE 63 3.493 0.213 -1.852 478 HE2 PHE 63 HE2 PHE 63 6.144 -0.928 -4.990 479 HZ PHE 63 HZ PHE 63 5.602 0.533 -3.083 480 H ALA 64 H ALA 64 2.291 -6.917 -4.730 481 HA ALA 64 HA ALA 64 -0.547 -7.161 -5.164 482 1HB ALA 64 1HB ALA 64 1.058 -8.105 -6.755 483 2HB ALA 64 2HB ALA 64 -0.013 -9.347 -6.107 484 3HB ALA 64 3HB ALA 64 1.642 -9.213 -5.512 485 H SER 65 H SER 65 1.450 -7.656 -2.509 486 HA SER 65 HA SER 65 -0.663 -9.073 -1.101 487 1HB SER 65 1HB SER 65 2.160 -10.172 -1.280 488 2HB SER 65 2HB SER 65 0.919 -10.765 -0.177 489 HG SER 65 HG SER 65 -0.045 -10.676 -2.692 490 H ILE 66 H ILE 66 -0.995 -7.369 0.247 491 HA ILE 66 HA ILE 66 0.967 -5.671 1.298 492 HB ILE 66 HB ILE 66 -1.780 -6.306 2.399 493 1HG1 ILE 66 1HG1 ILE 66 -1.827 -5.380 0.129 494 2HG1 ILE 66 2HG1 ILE 66 -2.450 -4.209 1.284 495 1HG2 ILE 66 1HG2 ILE 66 -0.381 -5.349 4.145 496 2HG2 ILE 66 2HG2 ILE 66 -1.604 -4.189 3.629 497 3HG2 ILE 66 3HG2 ILE 66 0.063 -4.011 3.082 498 1HD1 ILE 66 1HD1 ILE 66 0.287 -4.201 0.028 499 2HD1 ILE 66 2HD1 ILE 66 -0.275 -3.052 1.243 500 3HD1 ILE 66 3HD1 ILE 66 -1.052 -3.114 -0.340 501 H LYS 67 H LYS 67 -0.540 -8.565 2.691 502 HA LYS 67 HA LYS 67 0.618 -8.386 5.231 503 1HB LYS 67 1HB LYS 67 0.034 -10.685 5.572 504 2HB LYS 67 2HB LYS 67 -1.252 -9.929 4.647 505 1HG LYS 67 1HG LYS 67 0.925 -11.466 3.274 506 2HG LYS 67 2HG LYS 67 -0.447 -12.294 4.004 507 1HD LYS 67 1HD LYS 67 -1.978 -10.994 2.600 508 2HD LYS 67 2HD LYS 67 -0.612 -10.156 1.870 509 1HE LYS 67 1HE LYS 67 -1.449 -11.986 0.450 510 2HE LYS 67 2HE LYS 67 0.221 -12.241 0.950 511 1HZ LYS 67 1HZ LYS 67 -0.628 -13.735 2.711 512 2HZ LYS 67 2HZ LYS 67 -0.978 -14.281 1.147 513 3HZ LYS 67 3HZ LYS 67 -2.191 -13.563 2.077 514 H ALA 68 H ALA 68 1.968 -9.439 2.209 515 HA ALA 68 HA ALA 68 4.247 -10.748 3.413 516 1HB ALA 68 1HB ALA 68 5.044 -11.024 1.120 517 2HB ALA 68 2HB ALA 68 3.750 -9.978 0.535 518 3HB ALA 68 3HB ALA 68 3.363 -11.535 1.268 519 H ILE 69 H ILE 69 3.662 -7.755 1.577 520 HA ILE 69 HA ILE 69 6.336 -6.896 1.509 521 HB ILE 69 HB ILE 69 4.559 -6.052 -0.008 522 1HG1 ILE 69 1HG1 ILE 69 6.002 -3.874 1.535 523 2HG1 ILE 69 2HG1 ILE 69 6.694 -4.831 0.229 524 1HG2 ILE 69 1HG2 ILE 69 3.056 -4.273 0.727 525 2HG2 ILE 69 2HG2 ILE 69 3.660 -4.431 2.377 526 3HG2 ILE 69 3HG2 ILE 69 2.773 -5.761 1.630 527 1HD1 ILE 69 1HD1 ILE 69 4.374 -2.925 -0.014 528 2HD1 ILE 69 2HD1 ILE 69 5.061 -3.886 -1.325 529 3HD1 ILE 69 3HD1 ILE 69 6.028 -2.632 -0.548 530 H GLU 70 H GLU 70 3.832 -6.485 3.935 531 HA GLU 70 HA GLU 70 4.852 -4.311 5.338 532 1HB GLU 70 1HB GLU 70 3.551 -5.049 7.236 533 2HB GLU 70 2HB GLU 70 2.634 -5.325 5.765 534 1HG GLU 70 1HG GLU 70 2.220 -7.325 6.699 535 2HG GLU 70 2HG GLU 70 3.799 -7.743 6.044 536 H ASP 71 H ASP 71 5.815 -7.683 5.413 537 HA ASP 71 HA ASP 71 7.465 -7.499 7.723 538 1HB ASP 71 1HB ASP 71 6.562 -9.641 6.785 539 2HB ASP 71 2HB ASP 71 7.672 -9.474 5.429 540 H THR 72 H THR 72 7.996 -7.077 4.272 541 HA THR 72 HA THR 72 10.830 -6.986 4.380 542 HB THR 72 HB THR 72 9.081 -5.725 2.254 543 HG1 THR 72 HG1 THR 72 9.537 -8.388 2.927 544 1HG2 THR 72 1HG2 THR 72 11.860 -6.934 2.156 545 2HG2 THR 72 2HG2 THR 72 11.480 -5.211 2.078 546 3HG2 THR 72 3HG2 THR 72 10.971 -6.286 0.776 547 H VAL 73 H VAL 73 8.303 -4.500 4.556 548 HA VAL 73 HA VAL 73 10.180 -2.324 4.573 549 HB VAL 73 HB VAL 73 7.868 -1.972 3.799 550 1HG1 VAL 73 1HG1 VAL 73 6.021 -1.802 5.408 551 2HG1 VAL 73 2HG1 VAL 73 7.085 -2.392 6.685 552 3HG1 VAL 73 3HG1 VAL 73 6.677 -3.437 5.324 553 1HG2 VAL 73 1HG2 VAL 73 9.154 -0.050 4.571 554 2HG2 VAL 73 2HG2 VAL 73 8.589 -0.311 6.221 555 3HG2 VAL 73 3HG2 VAL 73 7.446 0.153 4.960 556 H LYS 74 H LYS 74 8.662 -4.347 6.996 557 HA LYS 74 HA LYS 74 9.306 -2.895 9.307 558 1HB LYS 74 1HB LYS 74 8.880 -5.813 8.730 559 2HB LYS 74 2HB LYS 74 9.444 -5.321 10.321 560 1HG LYS 74 1HG LYS 74 7.468 -4.253 10.848 561 2HG LYS 74 2HG LYS 74 7.030 -3.998 9.159 562 1HD LYS 74 1HD LYS 74 5.615 -5.688 10.302 563 2HD LYS 74 2HD LYS 74 6.460 -6.317 8.889 564 1HE LYS 74 1HE LYS 74 8.138 -7.347 10.349 565 2HE LYS 74 2HE LYS 74 7.300 -6.709 11.766 566 1HZ LYS 74 1HZ LYS 74 6.804 -9.084 11.160 567 2HZ LYS 74 2HZ LYS 74 5.973 -8.492 9.803 568 3HZ LYS 74 3HZ LYS 74 5.457 -8.083 11.361 569 H LEU 75 H LEU 75 11.252 -4.963 7.259 570 HA LEU 75 HA LEU 75 13.508 -5.302 8.873 571 1HB LEU 75 1HB LEU 75 13.352 -4.976 5.869 572 2HB LEU 75 2HB LEU 75 14.754 -5.573 6.737 573 HG LEU 75 HG LEU 75 12.049 -6.930 6.667 574 1HD1 LEU 75 1HD1 LEU 75 13.149 -7.011 4.494 575 2HD1 LEU 75 2HD1 LEU 75 13.148 -8.601 5.256 576 3HD1 LEU 75 3HD1 LEU 75 14.620 -7.630 5.247 577 1HD2 LEU 75 1HD2 LEU 75 13.245 -7.375 8.744 578 2HD2 LEU 75 2HD2 LEU 75 14.688 -7.831 7.838 579 3HD2 LEU 75 3HD2 LEU 75 13.227 -8.813 7.724 580 H ILE 76 H ILE 76 12.433 -2.549 6.995 581 HA ILE 76 HA ILE 76 14.857 -1.081 6.999 582 HB ILE 76 HB ILE 76 12.027 0.007 6.901 583 1HG1 ILE 76 1HG1 ILE 76 13.868 -0.756 4.612 584 2HG1 ILE 76 2HG1 ILE 76 12.484 -1.703 5.151 585 1HG2 ILE 76 1HG2 ILE 76 13.047 1.935 5.763 586 2HG2 ILE 76 2HG2 ILE 76 14.644 1.224 6.000 587 3HG2 ILE 76 3HG2 ILE 76 13.686 1.725 7.394 588 1HD1 ILE 76 1HD1 ILE 76 11.955 -0.404 3.175 589 2HD1 ILE 76 2HD1 ILE 76 12.379 1.084 4.021 590 3HD1 ILE 76 3HD1 ILE 76 10.995 0.131 4.555 591 H LEU 77 H LEU 77 12.134 -1.286 9.218 592 HA LEU 77 HA LEU 77 13.016 0.779 10.974 593 1HB LEU 77 1HB LEU 77 11.041 -1.482 11.316 594 2HB LEU 77 2HB LEU 77 11.396 -0.341 12.599 595 HG LEU 77 HG LEU 77 9.346 0.294 11.487 596 1HD1 LEU 77 1HD1 LEU 77 10.762 2.103 12.306 597 2HD1 LEU 77 2HD1 LEU 77 9.868 2.595 10.868 598 3HD1 LEU 77 3HD1 LEU 77 11.580 2.185 10.746 599 1HD2 LEU 77 1HD2 LEU 77 10.959 0.448 8.937 600 2HD2 LEU 77 2HD2 LEU 77 9.273 0.927 9.130 601 3HD2 LEU 77 3HD2 LEU 77 9.734 -0.763 9.319 602 H ASP 78 H ASP 78 13.696 -2.598 10.621 603 HA ASP 78 HA ASP 78 14.726 -3.138 13.185 604 1HB ASP 78 1HB ASP 78 14.135 -4.925 11.619 605 2HB ASP 78 2HB ASP 78 15.414 -4.414 10.524 606 H GLY 79 H GLY 79 16.279 -1.952 10.235 607 1HA GLY 79 1HA GLY 79 18.838 -1.684 11.639 608 2HA GLY 79 2HA GLY 79 18.552 -1.398 9.928 609 H LYS 80 H LYS 80 16.528 0.350 9.935 610 HA LYS 80 HA LYS 80 16.062 2.536 9.874 611 1HB LYS 80 1HB LYS 80 16.946 2.158 12.712 612 2HB LYS 80 2HB LYS 80 16.643 3.788 12.127 613 1HG LYS 80 1HG LYS 80 14.658 1.515 12.079 614 2HG LYS 80 2HG LYS 80 14.687 2.838 13.249 615 1HD LYS 80 1HD LYS 80 14.300 3.128 10.260 616 2HD LYS 80 2HD LYS 80 13.030 3.238 11.480 617 1HE LYS 80 1HE LYS 80 14.013 5.213 12.420 618 2HE LYS 80 2HE LYS 80 15.444 5.049 11.404 619 1HZ LYS 80 1HZ LYS 80 13.932 6.734 10.568 620 2HZ LYS 80 2HZ LYS 80 12.696 5.592 10.422 621 3HZ LYS 80 3HZ LYS 80 14.086 5.461 9.466 622 H GLU 81 H GLU 81 18.955 2.635 11.848 623 HA GLU 81 HA GLU 81 20.490 4.019 9.821 624 1HB GLU 81 1HB GLU 81 18.959 5.765 10.768 625 2HB GLU 81 2HB GLU 81 19.689 5.500 12.344 626 1HG GLU 81 1HG GLU 81 21.799 6.330 11.584 627 2HG GLU 81 2HG GLU 81 21.232 6.395 9.917 628 H ALA 82 H ALA 82 20.462 1.744 11.937 629 HA ALA 82 HA ALA 82 22.743 2.332 13.589 630 1HB ALA 82 1HB ALA 82 21.373 -0.306 13.030 631 2HB ALA 82 2HB ALA 82 21.006 0.787 14.365 632 3HB ALA 82 3HB ALA 82 22.577 -0.011 14.285 633 H ALA 83 H ALA 83 24.434 2.852 12.237 634 HA ALA 83 HA ALA 83 25.254 0.965 10.162 635 1HB ALA 83 1HB ALA 83 26.918 2.679 9.566 636 2HB ALA 83 2HB ALA 83 26.397 3.659 10.937 637 3HB ALA 83 3HB ALA 83 25.283 3.342 9.607 Start of MODEL 11 1 HA MET 1 HA MET 1 1.965 0.880 9.224 2 1HB MET 1 1HB MET 1 3.258 -1.584 10.368 3 2HB MET 1 2HB MET 1 3.575 -1.093 8.709 4 1HG MET 1 1HG MET 1 4.585 0.920 9.379 5 2HG MET 1 2HG MET 1 3.944 0.789 11.012 6 1HE MET 1 1HE MET 1 6.439 -0.762 8.405 7 2HE MET 1 2HE MET 1 5.558 -2.179 8.977 8 3HE MET 1 3HE MET 1 7.261 -1.977 9.381 9 H ASN 2 H ASN 2 1.227 -2.614 9.695 10 HA ASN 2 HA ASN 2 0.638 -3.132 7.038 11 1HB ASN 2 1HB ASN 2 -0.545 -5.141 7.790 12 2HB ASN 2 2HB ASN 2 0.951 -4.919 8.686 13 1HD2 ASN 2 1HD2 ASN 2 -1.502 -6.403 9.334 14 2HD2 ASN 2 2HD2 ASN 2 -2.026 -5.790 10.865 15 H ALA 3 H ALA 3 -1.657 -2.208 9.601 16 HA ALA 3 HA ALA 3 -3.906 -2.176 7.811 17 1HB ALA 3 1HB ALA 3 -5.147 -1.247 9.703 18 2HB ALA 3 2HB ALA 3 -3.638 -1.017 10.590 19 3HB ALA 3 3HB ALA 3 -4.192 -2.645 10.201 20 H THR 4 H THR 4 -1.719 0.178 9.208 21 HA THR 4 HA THR 4 -2.852 2.584 8.491 22 HB THR 4 HB THR 4 0.106 1.995 8.241 23 HG1 THR 4 HG1 THR 4 -0.791 2.799 10.722 24 1HG2 THR 4 1HG2 THR 4 -1.403 4.433 9.199 25 2HG2 THR 4 2HG2 THR 4 -0.583 4.261 7.646 26 3HG2 THR 4 3HG2 THR 4 0.352 4.263 9.143 27 H ILE 5 H ILE 5 -0.691 0.529 6.608 28 HA ILE 5 HA ILE 5 -0.396 2.144 4.355 29 HB ILE 5 HB ILE 5 -0.210 -0.868 4.596 30 1HG1 ILE 5 1HG1 ILE 5 2.057 1.135 4.511 31 2HG1 ILE 5 2HG1 ILE 5 1.296 0.663 6.025 32 1HG2 ILE 5 1HG2 ILE 5 0.792 0.953 2.395 33 2HG2 ILE 5 2HG2 ILE 5 -0.500 -0.240 2.260 34 3HG2 ILE 5 3HG2 ILE 5 1.158 -0.768 2.543 35 1HD1 ILE 5 1HD1 ILE 5 2.730 -1.160 4.107 36 2HD1 ILE 5 2HD1 ILE 5 1.923 -1.668 5.592 37 3HD1 ILE 5 3HD1 ILE 5 3.318 -0.591 5.671 38 H ARG 6 H ARG 6 -2.581 -0.669 4.807 39 HA ARG 6 HA ARG 6 -3.808 -0.307 2.273 40 1HB ARG 6 1HB ARG 6 -5.472 -1.954 3.015 41 2HB ARG 6 2HB ARG 6 -3.836 -2.487 3.346 42 1HG ARG 6 1HG ARG 6 -4.978 -3.114 5.256 43 2HG ARG 6 2HG ARG 6 -4.249 -1.582 5.730 44 1HD ARG 6 1HD ARG 6 -6.364 -0.432 5.333 45 2HD ARG 6 2HD ARG 6 -7.098 -1.936 4.777 46 HE ARG 6 HE ARG 6 -6.438 -2.704 7.172 47 1HH1 ARG 6 1HH1 ARG 6 -7.708 0.427 6.249 48 2HH1 ARG 6 2HH1 ARG 6 -8.442 0.730 7.789 49 1HH2 ARG 6 1HH2 ARG 6 -7.413 -2.316 9.191 50 2HH2 ARG 6 2HH2 ARG 6 -8.279 -0.839 9.462 51 H GLU 7 H GLU 7 -4.287 1.177 5.342 52 HA GLU 7 HA GLU 7 -6.984 2.016 4.909 53 1HB GLU 7 1HB GLU 7 -5.992 1.793 7.170 54 2HB GLU 7 2HB GLU 7 -4.927 3.150 6.821 55 1HG GLU 7 1HG GLU 7 -6.817 4.640 6.627 56 2HG GLU 7 2HG GLU 7 -7.939 3.296 6.832 57 H ILE 8 H ILE 8 -3.796 3.464 4.322 58 HA ILE 8 HA ILE 8 -4.723 6.060 3.778 59 HB ILE 8 HB ILE 8 -2.265 5.378 4.051 60 1HG1 ILE 8 1HG1 ILE 8 -3.100 7.230 1.799 61 2HG1 ILE 8 2HG1 ILE 8 -2.992 7.652 3.503 62 1HG2 ILE 8 1HG2 ILE 8 -2.188 3.627 2.355 63 2HG2 ILE 8 2HG2 ILE 8 -1.036 4.908 1.980 64 3HG2 ILE 8 3HG2 ILE 8 -2.560 4.806 1.099 65 1HD1 ILE 8 1HD1 ILE 8 -1.104 8.513 2.285 66 2HD1 ILE 8 2HD1 ILE 8 -0.703 6.897 1.708 67 3HD1 ILE 8 3HD1 ILE 8 -0.576 7.277 3.426 68 H LEU 9 H LEU 9 -4.593 3.167 1.808 69 HA LEU 9 HA LEU 9 -5.045 4.295 -0.711 70 1HB LEU 9 1HB LEU 9 -5.663 1.607 0.469 71 2HB LEU 9 2HB LEU 9 -6.246 2.007 -1.134 72 HG LEU 9 HG LEU 9 -4.196 0.743 -1.306 73 1HD1 LEU 9 1HD1 LEU 9 -4.591 2.458 -2.990 74 2HD1 LEU 9 2HD1 LEU 9 -2.868 2.265 -2.677 75 3HD1 LEU 9 3HD1 LEU 9 -3.736 3.643 -2.002 76 1HD2 LEU 9 1HD2 LEU 9 -2.076 1.552 -0.428 77 2HD2 LEU 9 2HD2 LEU 9 -3.234 1.288 0.876 78 3HD2 LEU 9 3HD2 LEU 9 -2.892 2.926 0.319 79 H ALA 10 H ALA 10 -7.172 3.834 1.970 80 HA ALA 10 HA ALA 10 -9.623 4.024 0.490 81 1HB ALA 10 1HB ALA 10 -9.498 2.830 2.624 82 2HB ALA 10 2HB ALA 10 -10.689 4.129 2.684 83 3HB ALA 10 3HB ALA 10 -9.112 4.342 3.448 84 H LYS 11 H LYS 11 -7.435 6.288 1.990 85 HA LYS 11 HA LYS 11 -9.427 8.442 1.702 86 1HB LYS 11 1HB LYS 11 -8.105 9.648 3.446 87 2HB LYS 11 2HB LYS 11 -8.843 8.157 4.003 88 1HG LYS 11 1HG LYS 11 -6.604 7.042 3.610 89 2HG LYS 11 2HG LYS 11 -5.939 8.662 3.385 90 1HD LYS 11 1HD LYS 11 -7.298 7.590 5.868 91 2HD LYS 11 2HD LYS 11 -5.580 7.931 5.672 92 1HE LYS 11 1HE LYS 11 -7.803 9.977 5.569 93 2HE LYS 11 2HE LYS 11 -6.737 9.690 6.942 94 1HZ LYS 11 1HZ LYS 11 -5.948 10.698 4.265 95 2HZ LYS 11 2HZ LYS 11 -4.856 10.306 5.499 96 3HZ LYS 11 3HZ LYS 11 -5.958 11.567 5.716 97 H PHE 12 H PHE 12 -5.887 7.919 1.460 98 HA PHE 12 HA PHE 12 -5.714 10.257 -0.301 99 1HB PHE 12 1HB PHE 12 -3.828 8.845 1.486 100 2HB PHE 12 2HB PHE 12 -3.128 9.412 -0.025 101 HD1 PHE 12 HD1 PHE 12 -5.018 10.518 2.973 102 HD2 PHE 12 HD2 PHE 12 -2.567 11.674 -0.311 103 HE1 PHE 12 HE1 PHE 12 -4.820 12.780 3.918 104 HE2 PHE 12 HE2 PHE 12 -2.367 13.935 0.630 105 HZ PHE 12 HZ PHE 12 -3.494 14.492 2.747 106 H GLY 13 H GLY 13 -5.684 6.825 -0.426 107 1HA GLY 13 1HA GLY 13 -4.162 6.557 -2.839 108 2HA GLY 13 2HA GLY 13 -5.179 5.328 -2.105 109 H GLN 14 H GLN 14 -4.803 6.866 -4.868 110 HA GLN 14 HA GLN 14 -7.553 7.635 -5.384 111 1HB GLN 14 1HB GLN 14 -5.159 7.494 -7.240 112 2HB GLN 14 2HB GLN 14 -6.733 8.157 -7.666 113 1HG GLN 14 1HG GLN 14 -4.837 9.223 -5.575 114 2HG GLN 14 2HG GLN 14 -5.185 9.940 -7.147 115 1HE2 GLN 14 1HE2 GLN 14 -7.193 10.938 -7.482 116 2HE2 GLN 14 2HE2 GLN 14 -8.193 11.437 -6.165 117 H LEU 15 H LEU 15 -7.745 5.166 -4.585 118 HA LEU 15 HA LEU 15 -7.743 3.320 -6.841 119 1HB LEU 15 1HB LEU 15 -7.071 2.642 -4.495 120 2HB LEU 15 2HB LEU 15 -8.736 2.890 -4.009 121 HG LEU 15 HG LEU 15 -9.435 1.107 -5.605 122 1HD1 LEU 15 1HD1 LEU 15 -6.466 0.669 -5.940 123 2HD1 LEU 15 2HD1 LEU 15 -7.568 1.284 -7.173 124 3HD1 LEU 15 3HD1 LEU 15 -7.749 -0.364 -6.573 125 1HD2 LEU 15 1HD2 LEU 15 -9.070 0.572 -3.251 126 2HD2 LEU 15 2HD2 LEU 15 -7.362 0.270 -3.570 127 3HD2 LEU 15 3HD2 LEU 15 -8.591 -0.776 -4.282 128 HA PRO 16 HA PRO 16 -11.855 4.771 -7.786 129 1HB PRO 16 1HB PRO 16 -12.418 3.088 -9.827 130 2HB PRO 16 2HB PRO 16 -11.253 4.409 -9.991 131 1HG PRO 16 1HG PRO 16 -10.769 1.491 -9.551 132 2HG PRO 16 2HG PRO 16 -9.893 2.627 -10.591 133 1HD PRO 16 1HD PRO 16 -9.031 1.822 -8.107 134 2HD PRO 16 2HD PRO 16 -8.568 3.362 -8.869 135 H THR 17 H THR 17 -11.053 1.841 -6.456 136 HA THR 17 HA THR 17 -13.839 1.017 -6.072 137 HB THR 17 HB THR 17 -11.342 -0.611 -6.546 138 HG1 THR 17 HG1 THR 17 -12.108 -0.740 -8.492 139 1HG2 THR 17 1HG2 THR 17 -12.598 -1.669 -4.771 140 2HG2 THR 17 2HG2 THR 17 -12.713 -2.614 -6.257 141 3HG2 THR 17 3HG2 THR 17 -14.068 -1.604 -5.743 142 HA PRO 18 HA PRO 18 -12.852 1.725 -1.792 143 1HB PRO 18 1HB PRO 18 -14.710 0.047 -0.634 144 2HB PRO 18 2HB PRO 18 -15.079 1.656 -1.263 145 1HG PRO 18 1HG PRO 18 -15.481 -1.018 -2.546 146 2HG PRO 18 2HG PRO 18 -16.551 0.398 -2.545 147 1HD PRO 18 1HD PRO 18 -15.011 -0.223 -4.670 148 2HD PRO 18 2HD PRO 18 -15.350 1.460 -4.226 149 H VAL 19 H VAL 19 -11.294 0.922 -0.536 150 HA VAL 19 HA VAL 19 -9.969 -1.494 -1.058 151 HB VAL 19 HB VAL 19 -9.900 0.098 1.520 152 1HG1 VAL 19 1HG1 VAL 19 -8.859 -2.096 1.749 153 2HG1 VAL 19 2HG1 VAL 19 -7.635 -0.827 1.780 154 3HG1 VAL 19 3HG1 VAL 19 -7.867 -1.793 0.322 155 1HG2 VAL 19 1HG2 VAL 19 -9.463 1.548 -0.386 156 2HG2 VAL 19 2HG2 VAL 19 -8.240 0.428 -0.983 157 3HG2 VAL 19 3HG2 VAL 19 -7.984 1.285 0.537 158 H ASP 20 H ASP 20 -12.662 -0.731 0.940 159 HA ASP 20 HA ASP 20 -12.731 -2.761 2.807 160 1HB ASP 20 1HB ASP 20 -14.311 -0.972 2.919 161 2HB ASP 20 2HB ASP 20 -14.956 -1.347 1.328 162 H THR 21 H THR 21 -13.351 -2.986 -0.636 163 HA THR 21 HA THR 21 -14.695 -5.543 -0.399 164 HB THR 21 HB THR 21 -15.271 -3.877 -2.205 165 HG1 THR 21 HG1 THR 21 -14.464 -6.266 -3.470 166 1HG2 THR 21 1HG2 THR 21 -12.708 -4.871 -3.468 167 2HG2 THR 21 2HG2 THR 21 -12.962 -3.248 -2.831 168 3HG2 THR 21 3HG2 THR 21 -13.899 -3.808 -4.217 169 H ILE 22 H ILE 22 -11.444 -4.402 -0.982 170 HA ILE 22 HA ILE 22 -10.577 -7.073 -1.848 171 HB ILE 22 HB ILE 22 -8.374 -6.002 -2.308 172 1HG1 ILE 22 1HG1 ILE 22 -9.843 -3.450 -1.577 173 2HG1 ILE 22 2HG1 ILE 22 -8.482 -4.152 -0.709 174 1HG2 ILE 22 1HG2 ILE 22 -10.031 -6.262 -4.086 175 2HG2 ILE 22 2HG2 ILE 22 -9.084 -4.792 -4.317 176 3HG2 ILE 22 3HG2 ILE 22 -10.727 -4.693 -3.682 177 1HD1 ILE 22 1HD1 ILE 22 -8.419 -3.044 -3.509 178 2HD1 ILE 22 2HD1 ILE 22 -7.049 -3.756 -2.654 179 3HD1 ILE 22 3HD1 ILE 22 -7.784 -2.267 -2.060 180 H ALA 23 H ALA 23 -8.186 -7.510 -0.937 181 HA ALA 23 HA ALA 23 -7.912 -6.914 1.869 182 1HB ALA 23 1HB ALA 23 -9.661 -8.638 1.928 183 2HB ALA 23 2HB ALA 23 -8.164 -9.209 2.666 184 3HB ALA 23 3HB ALA 23 -8.605 -9.739 1.042 185 H ASP 24 H ASP 24 -6.123 -8.431 2.804 186 HA ASP 24 HA ASP 24 -3.780 -7.959 1.297 187 1HB ASP 24 1HB ASP 24 -2.586 -9.009 3.106 188 2HB ASP 24 2HB ASP 24 -3.891 -8.054 3.800 189 H GLU 25 H GLU 25 -5.808 -10.778 1.728 190 HA GLU 25 HA GLU 25 -4.009 -12.532 0.278 191 1HB GLU 25 1HB GLU 25 -6.762 -12.899 1.466 192 2HB GLU 25 2HB GLU 25 -5.970 -14.153 0.521 193 1HG GLU 25 1HG GLU 25 -4.724 -12.920 2.969 194 2HG GLU 25 2HG GLU 25 -5.774 -14.336 3.034 195 H ALA 26 H ALA 26 -5.719 -10.074 -0.778 196 HA ALA 26 HA ALA 26 -6.671 -11.445 -3.214 197 1HB ALA 26 1HB ALA 26 -7.651 -8.836 -2.042 198 2HB ALA 26 2HB ALA 26 -8.490 -10.384 -1.951 199 3HB ALA 26 3HB ALA 26 -8.249 -9.603 -3.513 200 H ASP 27 H ASP 27 -6.570 -10.039 -5.176 201 HA ASP 27 HA ASP 27 -3.943 -8.801 -5.360 202 1HB ASP 27 1HB ASP 27 -6.028 -9.402 -7.482 203 2HB ASP 27 2HB ASP 27 -4.441 -8.712 -7.807 204 H LEU 28 H LEU 28 -3.859 -6.749 -4.675 205 HA LEU 28 HA LEU 28 -5.997 -4.996 -4.405 206 1HB LEU 28 1HB LEU 28 -3.109 -4.221 -4.844 207 2HB LEU 28 2HB LEU 28 -4.350 -3.229 -4.105 208 HG LEU 28 HG LEU 28 -3.096 -5.730 -2.968 209 1HD1 LEU 28 1HD1 LEU 28 -2.361 -4.226 -1.189 210 2HD1 LEU 28 2HD1 LEU 28 -3.115 -2.865 -2.017 211 3HD1 LEU 28 3HD1 LEU 28 -1.754 -3.705 -2.760 212 1HD2 LEU 28 1HD2 LEU 28 -5.379 -4.099 -1.844 213 2HD2 LEU 28 2HD2 LEU 28 -4.541 -5.412 -1.015 214 3HD2 LEU 28 3HD2 LEU 28 -5.487 -5.747 -2.464 215 H TYR 29 H TYR 29 -3.766 -5.397 -7.114 216 HA TYR 29 HA TYR 29 -4.559 -3.096 -8.534 217 1HB TYR 29 1HB TYR 29 -3.463 -4.152 -10.496 218 2HB TYR 29 2HB TYR 29 -2.453 -4.127 -9.056 219 HD1 TYR 29 HD2 TYR 29 -4.341 -6.270 -11.377 220 HD2 TYR 29 HD1 TYR 29 -1.821 -6.188 -7.944 221 HE1 TYR 29 HE2 TYR 29 -3.938 -8.683 -11.619 222 HE2 TYR 29 HE1 TYR 29 -1.408 -8.597 -8.182 223 HH TYR 29 HH TYR 29 -2.519 -10.567 -9.201 224 H ALA 30 H ALA 30 -6.079 -6.164 -8.157 225 HA ALA 30 HA ALA 30 -7.602 -6.238 -10.538 226 1HB ALA 30 1HB ALA 30 -8.280 -7.382 -7.824 227 2HB ALA 30 2HB ALA 30 -7.345 -8.191 -9.080 228 3HB ALA 30 3HB ALA 30 -9.046 -7.817 -9.351 229 H ALA 31 H ALA 31 -7.910 -4.453 -7.580 230 HA ALA 31 HA ALA 31 -10.630 -3.604 -8.009 231 1HB ALA 31 1HB ALA 31 -10.218 -2.090 -6.119 232 2HB ALA 31 2HB ALA 31 -8.506 -2.510 -6.154 233 3HB ALA 31 3HB ALA 31 -9.705 -3.735 -5.748 234 H GLY 32 H GLY 32 -7.609 -2.759 -9.247 235 1HA GLY 32 1HA GLY 32 -7.502 -1.325 -11.186 236 2HA GLY 32 2HA GLY 32 -8.730 -0.305 -10.449 237 H LEU 33 H LEU 33 -5.825 -1.638 -8.936 238 HA LEU 33 HA LEU 33 -5.102 0.961 -7.933 239 1HB LEU 33 1HB LEU 33 -4.806 -1.108 -6.602 240 2HB LEU 33 2HB LEU 33 -3.624 -1.676 -7.765 241 HG LEU 33 HG LEU 33 -2.138 0.208 -7.174 242 1HD1 LEU 33 1HD1 LEU 33 -4.224 0.853 -5.086 243 2HD1 LEU 33 2HD1 LEU 33 -3.816 1.840 -6.490 244 3HD1 LEU 33 3HD1 LEU 33 -2.626 1.591 -5.215 245 1HD2 LEU 33 1HD2 LEU 33 -1.497 -0.596 -4.954 246 2HD2 LEU 33 2HD2 LEU 33 -1.889 -1.939 -6.028 247 3HD2 LEU 33 3HD2 LEU 33 -3.046 -1.428 -4.798 248 H SER 34 H SER 34 -4.285 2.363 -9.357 249 HA SER 34 HA SER 34 -2.424 1.446 -11.428 250 1HB SER 34 1HB SER 34 -4.295 2.791 -12.226 251 2HB SER 34 2HB SER 34 -3.898 4.077 -11.086 252 HG SER 34 HG SER 34 -2.993 3.762 -13.543 253 H SER 35 H SER 35 -0.597 2.958 -11.929 254 HA SER 35 HA SER 35 1.184 3.109 -9.796 255 1HB SER 35 1HB SER 35 1.305 4.772 -12.326 256 2HB SER 35 2HB SER 35 2.661 4.267 -11.318 257 HG SER 35 HG SER 35 2.189 3.018 -13.315 258 H PHE 36 H PHE 36 -0.963 5.552 -11.160 259 HA PHE 36 HA PHE 36 0.001 7.842 -9.904 260 1HB PHE 36 1HB PHE 36 -2.889 7.144 -10.512 261 2HB PHE 36 2HB PHE 36 -2.277 8.761 -10.186 262 HD1 PHE 36 HD1 PHE 36 -0.900 9.931 -11.845 263 HD2 PHE 36 HD2 PHE 36 -2.530 6.076 -12.644 264 HE1 PHE 36 HE1 PHE 36 -0.442 10.234 -14.243 265 HE2 PHE 36 HE2 PHE 36 -2.071 6.376 -15.042 266 HZ PHE 36 HZ PHE 36 -1.026 8.456 -15.844 267 H ALA 37 H ALA 37 -2.339 5.454 -8.744 268 HA ALA 37 HA ALA 37 -2.812 6.777 -6.250 269 1HB ALA 37 1HB ALA 37 -4.063 4.757 -5.658 270 2HB ALA 37 2HB ALA 37 -3.427 3.937 -7.086 271 3HB ALA 37 3HB ALA 37 -4.500 5.326 -7.269 272 H SER 38 H SER 38 -0.758 4.149 -7.363 273 HA SER 38 HA SER 38 -0.008 3.162 -4.839 274 1HB SER 38 1HB SER 38 0.246 1.863 -6.919 275 2HB SER 38 2HB SER 38 1.478 2.993 -7.480 276 HG SER 38 HG SER 38 1.657 0.947 -5.641 277 H VAL 39 H VAL 39 1.786 5.281 -7.090 278 HA VAL 39 HA VAL 39 4.003 5.699 -5.430 279 HB VAL 39 HB VAL 39 2.884 7.554 -7.551 280 1HG1 VAL 39 1HG1 VAL 39 5.160 8.467 -7.689 281 2HG1 VAL 39 2HG1 VAL 39 5.654 7.441 -6.343 282 3HG1 VAL 39 3HG1 VAL 39 4.461 8.716 -6.089 283 1HG2 VAL 39 1HG2 VAL 39 4.980 5.383 -7.753 284 2HG2 VAL 39 2HG2 VAL 39 4.523 6.494 -9.046 285 3HG2 VAL 39 3HG2 VAL 39 3.353 5.326 -8.432 286 H GLN 40 H GLN 40 0.951 7.448 -5.724 287 HA GLN 40 HA GLN 40 1.674 9.670 -4.146 288 1HB GLN 40 1HB GLN 40 -0.298 9.448 -5.762 289 2HB GLN 40 2HB GLN 40 -1.139 8.602 -4.474 290 1HG GLN 40 1HG GLN 40 -0.038 11.391 -4.178 291 2HG GLN 40 2HG GLN 40 -1.670 11.051 -4.741 292 1HE2 GLN 40 1HE2 GLN 40 -2.053 8.791 -2.945 293 2HE2 GLN 40 2HE2 GLN 40 -2.257 9.459 -1.369 294 H LEU 41 H LEU 41 0.199 6.550 -3.329 295 HA LEU 41 HA LEU 41 -0.613 7.236 -0.725 296 1HB LEU 41 1HB LEU 41 -1.166 5.013 -0.420 297 2HB LEU 41 2HB LEU 41 -1.224 5.165 -2.161 298 HG LEU 41 HG LEU 41 1.296 4.272 -1.945 299 1HD1 LEU 41 1HD1 LEU 41 1.479 2.573 -0.201 300 2HD1 LEU 41 2HD1 LEU 41 -0.075 3.078 0.464 301 3HD1 LEU 41 3HD1 LEU 41 1.297 4.185 0.493 302 1HD2 LEU 41 1HD2 LEU 41 -1.132 2.483 -1.794 303 2HD2 LEU 41 2HD2 LEU 41 0.462 2.031 -2.398 304 3HD2 LEU 41 3HD2 LEU 41 -0.497 3.236 -3.256 305 H MET 42 H MET 42 2.492 6.442 -2.029 306 HA MET 42 HA MET 42 3.741 5.598 0.375 307 1HB MET 42 1HB MET 42 5.073 6.901 -2.011 308 2HB MET 42 2HB MET 42 5.835 5.874 -0.805 309 1HG MET 42 1HG MET 42 4.314 4.020 -1.598 310 2HG MET 42 2HG MET 42 3.873 5.080 -2.940 311 1HE MET 42 1HE MET 42 6.816 6.557 -3.291 312 2HE MET 42 2HE MET 42 5.737 6.116 -4.614 313 3HE MET 42 3HE MET 42 7.420 5.591 -4.639 314 H LEU 43 H LEU 43 3.300 8.711 -1.203 315 HA LEU 43 HA LEU 43 5.087 10.222 0.356 316 1HB LEU 43 1HB LEU 43 2.532 11.126 -0.992 317 2HB LEU 43 2HB LEU 43 3.817 12.181 -0.428 318 HG LEU 43 HG LEU 43 4.046 10.150 -2.662 319 1HD1 LEU 43 1HD1 LEU 43 2.711 12.101 -3.276 320 2HD1 LEU 43 2HD1 LEU 43 4.258 12.095 -4.122 321 3HD1 LEU 43 3HD1 LEU 43 4.010 13.169 -2.743 322 1HD2 LEU 43 1HD2 LEU 43 6.152 10.365 -1.453 323 2HD2 LEU 43 2HD2 LEU 43 6.078 12.121 -1.604 324 3HD2 LEU 43 3HD2 LEU 43 6.269 11.120 -3.042 325 H GLY 44 H GLY 44 1.646 9.491 0.764 326 1HA GLY 44 1HA GLY 44 1.355 11.055 3.154 327 2HA GLY 44 2HA GLY 44 0.203 9.891 2.519 328 H ILE 45 H ILE 45 1.903 7.645 2.434 329 HA ILE 45 HA ILE 45 1.653 6.719 5.099 330 HB ILE 45 HB ILE 45 2.564 5.582 2.517 331 1HG1 ILE 45 1HG1 ILE 45 0.259 5.328 3.223 332 2HG1 ILE 45 2HG1 ILE 45 1.041 3.749 3.198 333 1HG2 ILE 45 1HG2 ILE 45 3.436 3.519 3.541 334 2HG2 ILE 45 2HG2 ILE 45 3.388 4.306 5.119 335 3HG2 ILE 45 3HG2 ILE 45 4.458 4.922 3.860 336 1HD1 ILE 45 1HD1 ILE 45 1.311 3.880 5.643 337 2HD1 ILE 45 2HD1 ILE 45 -0.375 3.953 5.133 338 3HD1 ILE 45 3HD1 ILE 45 0.458 5.425 5.633 339 H GLU 46 H GLU 46 4.275 8.137 3.307 340 HA GLU 46 HA GLU 46 6.496 7.382 4.775 341 1HB GLU 46 1HB GLU 46 6.682 8.724 2.758 342 2HB GLU 46 2HB GLU 46 5.834 10.062 3.524 343 1HG GLU 46 1HG GLU 46 7.691 10.356 5.084 344 2HG GLU 46 2HG GLU 46 8.541 9.004 4.335 345 H GLU 47 H GLU 47 4.397 10.217 5.352 346 HA GLU 47 HA GLU 47 5.663 10.917 7.804 347 1HB GLU 47 1HB GLU 47 3.885 12.543 8.077 348 2HB GLU 47 2HB GLU 47 4.432 12.555 6.408 349 1HG GLU 47 1HG GLU 47 2.497 11.294 5.713 350 2HG GLU 47 2HG GLU 47 1.971 11.112 7.385 351 H ALA 48 H ALA 48 3.089 8.770 6.926 352 HA ALA 48 HA ALA 48 1.521 8.719 9.193 353 1HB ALA 48 1HB ALA 48 0.780 6.519 8.499 354 2HB ALA 48 2HB ALA 48 2.184 6.355 7.441 355 3HB ALA 48 3HB ALA 48 0.958 7.574 7.095 356 H PHE 49 H PHE 49 4.410 6.643 8.564 357 HA PHE 49 HA PHE 49 4.498 6.265 11.483 358 1HB PHE 49 1HB PHE 49 5.246 3.945 11.201 359 2HB PHE 49 2HB PHE 49 3.633 4.212 10.564 360 HD1 PHE 49 HD1 PHE 49 7.155 3.586 9.669 361 HD2 PHE 49 HD2 PHE 49 3.150 3.882 8.244 362 HE1 PHE 49 HE1 PHE 49 7.833 2.545 7.548 363 HE2 PHE 49 HE2 PHE 49 3.830 2.843 6.123 364 HZ PHE 49 HZ PHE 49 6.173 2.174 5.772 365 H ASP 50 H ASP 50 6.444 6.578 8.517 366 HA ASP 50 HA ASP 50 8.622 7.687 9.886 367 1HB ASP 50 1HB ASP 50 8.765 5.319 10.779 368 2HB ASP 50 2HB ASP 50 9.169 4.804 9.146 369 H ILE 51 H ILE 51 8.402 5.268 7.238 370 HA ILE 51 HA ILE 51 9.441 7.300 5.386 371 HB ILE 51 HB ILE 51 11.064 5.827 4.398 372 1HG1 ILE 51 1HG1 ILE 51 9.887 3.674 4.754 373 2HG1 ILE 51 2HG1 ILE 51 11.584 3.598 5.199 374 1HG2 ILE 51 1HG2 ILE 51 12.691 5.595 6.227 375 2HG2 ILE 51 2HG2 ILE 51 11.401 5.900 7.391 376 3HG2 ILE 51 3HG2 ILE 51 11.867 7.155 6.244 377 1HD1 ILE 51 1HD1 ILE 51 9.219 3.729 7.055 378 2HD1 ILE 51 2HD1 ILE 51 10.896 3.862 7.585 379 3HD1 ILE 51 3HD1 ILE 51 10.328 2.382 6.813 380 H GLU 52 H GLU 52 9.480 6.334 3.083 381 HA GLU 52 HA GLU 52 6.919 4.964 2.637 382 1HB GLU 52 1HB GLU 52 7.333 5.925 0.212 383 2HB GLU 52 2HB GLU 52 6.622 6.910 1.476 384 1HG GLU 52 1HG GLU 52 8.240 8.175 0.229 385 2HG GLU 52 2HG GLU 52 8.782 7.962 1.890 386 H PHE 53 H PHE 53 6.887 3.760 0.476 387 HA PHE 53 HA PHE 53 8.577 1.531 0.821 388 1HB PHE 53 1HB PHE 53 6.677 2.249 -1.420 389 2HB PHE 53 2HB PHE 53 7.414 0.663 -1.208 390 HD1 PHE 53 HD2 PHE 53 7.133 -0.273 1.303 391 HD2 PHE 53 HD1 PHE 53 4.521 2.496 -0.613 392 HE1 PHE 53 HE2 PHE 53 5.329 -0.907 2.848 393 HE2 PHE 53 HE1 PHE 53 2.718 1.867 0.937 394 HZ PHE 53 HZ PHE 53 3.120 0.163 2.667 395 HA PRO 54 HA PRO 54 11.979 2.997 -1.690 396 1HB PRO 54 1HB PRO 54 13.628 0.909 -1.315 397 2HB PRO 54 2HB PRO 54 13.256 2.034 -0.002 398 1HG PRO 54 1HG PRO 54 12.050 -0.659 -0.568 399 2HG PRO 54 2HG PRO 54 12.658 -0.013 0.971 400 1HD PRO 54 1HD PRO 54 10.020 -0.002 0.315 401 2HD PRO 54 2HD PRO 54 10.756 1.250 1.335 402 H ASP 55 H ASP 55 13.043 2.443 -3.648 403 HA ASP 55 HA ASP 55 11.413 1.523 -5.669 404 1HB ASP 55 1HB ASP 55 14.440 1.610 -5.618 405 2HB ASP 55 2HB ASP 55 13.474 1.399 -7.074 406 H ASN 56 H ASN 56 13.763 -0.276 -3.777 407 HA ASN 56 HA ASN 56 14.181 -2.525 -5.271 408 1HB ASN 56 1HB ASN 56 15.315 -2.143 -3.149 409 2HB ASN 56 2HB ASN 56 13.810 -2.376 -2.268 410 1HD2 ASN 56 1HD2 ASN 56 13.011 -4.455 -1.985 411 2HD2 ASN 56 2HD2 ASN 56 13.948 -5.867 -2.312 412 H LEU 57 H LEU 57 11.393 -1.929 -3.146 413 HA LEU 57 HA LEU 57 10.180 -4.418 -4.148 414 1HB LEU 57 1HB LEU 57 8.603 -4.160 -2.209 415 2HB LEU 57 2HB LEU 57 10.272 -4.472 -1.788 416 HG LEU 57 HG LEU 57 10.489 -1.940 -1.396 417 1HD1 LEU 57 1HD1 LEU 57 8.405 -0.777 -0.813 418 2HD1 LEU 57 2HD1 LEU 57 7.478 -2.150 -1.420 419 3HD1 LEU 57 3HD1 LEU 57 8.477 -1.202 -2.522 420 1HD2 LEU 57 1HD2 LEU 57 9.576 -2.115 0.871 421 2HD2 LEU 57 2HD2 LEU 57 10.456 -3.573 0.415 422 3HD2 LEU 57 3HD2 LEU 57 8.692 -3.569 0.409 423 H LEU 58 H LEU 58 10.097 -1.089 -4.518 424 HA LEU 58 HA LEU 58 7.336 -0.632 -4.967 425 1HB LEU 58 1HB LEU 58 8.955 1.152 -4.469 426 2HB LEU 58 2HB LEU 58 9.755 0.857 -5.998 427 HG LEU 58 HG LEU 58 7.712 1.581 -7.191 428 1HD1 LEU 58 1HD1 LEU 58 6.046 1.017 -5.516 429 2HD1 LEU 58 2HD1 LEU 58 5.926 2.718 -5.966 430 3HD1 LEU 58 3HD1 LEU 58 6.684 2.261 -4.440 431 1HD2 LEU 58 1HD2 LEU 58 9.503 3.177 -6.754 432 2HD2 LEU 58 2HD2 LEU 58 8.781 3.581 -5.197 433 3HD2 LEU 58 3HD2 LEU 58 7.928 3.969 -6.693 434 H ASN 59 H ASN 59 9.823 -2.062 -6.874 435 HA ASN 59 HA ASN 59 8.211 -1.862 -9.331 436 1HB ASN 59 1HB ASN 59 10.180 -2.535 -10.543 437 2HB ASN 59 2HB ASN 59 10.664 -1.278 -9.410 438 1HD2 ASN 59 1HD2 ASN 59 12.049 -1.790 -7.734 439 2HD2 ASN 59 2HD2 ASN 59 12.861 -3.312 -7.613 440 H ARG 60 H ARG 60 8.152 -3.794 -6.775 441 HA ARG 60 HA ARG 60 8.352 -6.332 -8.259 442 1HB ARG 60 1HB ARG 60 9.722 -5.636 -6.030 443 2HB ARG 60 2HB ARG 60 8.308 -6.371 -5.287 444 1HG ARG 60 1HG ARG 60 10.100 -7.994 -5.551 445 2HG ARG 60 2HG ARG 60 8.711 -8.432 -6.549 446 1HD ARG 60 1HD ARG 60 9.790 -7.596 -8.529 447 2HD ARG 60 2HD ARG 60 11.114 -6.921 -7.581 448 HE ARG 60 HE ARG 60 10.981 -9.691 -7.122 449 1HH1 ARG 60 1HH1 ARG 60 11.673 -7.490 -9.749 450 2HH1 ARG 60 2HH1 ARG 60 12.925 -8.483 -10.427 451 1HH2 ARG 60 1HH2 ARG 60 12.623 -11.020 -8.025 452 2HH2 ARG 60 2HH2 ARG 60 13.462 -10.490 -9.450 453 H LYS 61 H LYS 61 6.956 -8.093 -7.377 454 HA LYS 61 HA LYS 61 4.227 -7.470 -7.636 455 1HB LYS 61 1HB LYS 61 3.853 -9.821 -7.143 456 2HB LYS 61 2HB LYS 61 5.272 -9.662 -8.175 457 1HG LYS 61 1HG LYS 61 6.680 -9.781 -6.093 458 2HG LYS 61 2HG LYS 61 5.209 -10.196 -5.210 459 1HD LYS 61 1HD LYS 61 4.916 -12.161 -6.662 460 2HD LYS 61 2HD LYS 61 6.409 -11.746 -7.508 461 1HE LYS 61 1HE LYS 61 6.961 -13.415 -5.914 462 2HE LYS 61 2HE LYS 61 7.590 -11.898 -5.294 463 1HZ LYS 61 1HZ LYS 61 6.509 -13.173 -3.559 464 2HZ LYS 61 2HZ LYS 61 5.064 -13.208 -4.436 465 3HZ LYS 61 3HZ LYS 61 5.658 -11.741 -3.843 466 H SER 62 H SER 62 6.302 -7.359 -4.941 467 HA SER 62 HA SER 62 5.004 -8.068 -2.718 468 1HB SER 62 1HB SER 62 6.317 -5.354 -2.958 469 2HB SER 62 2HB SER 62 6.248 -6.397 -1.536 470 HG SER 62 HG SER 62 7.729 -7.723 -2.410 471 H PHE 63 H PHE 63 4.259 -5.088 -4.528 472 HA PHE 63 HA PHE 63 2.462 -3.992 -2.655 473 1HB PHE 63 1HB PHE 63 3.008 -3.530 -5.559 474 2HB PHE 63 2HB PHE 63 1.541 -2.844 -4.868 475 HD1 PHE 63 HD2 PHE 63 5.226 -3.007 -4.324 476 HD2 PHE 63 HD1 PHE 63 1.622 -0.801 -3.774 477 HE1 PHE 63 HE2 PHE 63 6.518 -1.111 -3.438 478 HE2 PHE 63 HE1 PHE 63 2.912 1.094 -2.889 479 HZ PHE 63 HZ PHE 63 5.364 0.940 -2.721 480 H ALA 64 H ALA 64 1.997 -6.380 -5.163 481 HA ALA 64 HA ALA 64 -0.846 -6.268 -5.228 482 1HB ALA 64 1HB ALA 64 0.478 -7.183 -7.075 483 2HB ALA 64 2HB ALA 64 -0.696 -8.358 -6.482 484 3HB ALA 64 3HB ALA 64 1.007 -8.511 -6.042 485 H SER 65 H SER 65 1.227 -7.288 -2.834 486 HA SER 65 HA SER 65 -0.834 -8.968 -1.588 487 1HB SER 65 1HB SER 65 1.022 -10.499 -0.809 488 2HB SER 65 2HB SER 65 0.703 -10.554 -2.543 489 HG SER 65 HG SER 65 2.561 -8.664 -1.817 490 H ILE 66 H ILE 66 -1.391 -7.575 0.014 491 HA ILE 66 HA ILE 66 0.244 -5.685 1.228 492 HB ILE 66 HB ILE 66 -2.234 -7.017 2.334 493 1HG1 ILE 66 1HG1 ILE 66 -1.836 -4.374 0.900 494 2HG1 ILE 66 2HG1 ILE 66 -2.555 -5.819 0.200 495 1HG2 ILE 66 1HG2 ILE 66 -0.963 -6.031 4.158 496 2HG2 ILE 66 2HG2 ILE 66 -2.408 -5.072 3.839 497 3HG2 ILE 66 3HG2 ILE 66 -0.834 -4.509 3.276 498 1HD1 ILE 66 1HD1 ILE 66 -3.678 -4.214 2.486 499 2HD1 ILE 66 2HD1 ILE 66 -4.403 -5.663 1.789 500 3HD1 ILE 66 3HD1 ILE 66 -4.245 -4.199 0.816 501 H LYS 67 H LYS 67 -0.554 -8.967 2.382 502 HA LYS 67 HA LYS 67 0.752 -8.797 4.839 503 1HB LYS 67 1HB LYS 67 0.750 -11.219 4.910 504 2HB LYS 67 2HB LYS 67 -0.778 -10.643 4.266 505 1HG LYS 67 1HG LYS 67 1.377 -11.401 2.346 506 2HG LYS 67 2HG LYS 67 0.502 -12.679 3.188 507 1HD LYS 67 1HD LYS 67 -1.611 -11.850 2.323 508 2HD LYS 67 2HD LYS 67 -0.793 -10.492 1.548 509 1HE LYS 67 1HE LYS 67 0.311 -11.913 0.008 510 2HE LYS 67 2HE LYS 67 -0.126 -13.360 0.916 511 1HZ LYS 67 1HZ LYS 67 -2.055 -11.585 -0.484 512 2HZ LYS 67 2HZ LYS 67 -2.417 -13.027 0.327 513 3HZ LYS 67 3HZ LYS 67 -1.480 -13.062 -1.079 514 H ALA 68 H ALA 68 2.070 -9.293 1.647 515 HA ALA 68 HA ALA 68 4.623 -10.252 2.608 516 1HB ALA 68 1HB ALA 68 5.292 -10.237 0.270 517 2HB ALA 68 2HB ALA 68 3.821 -9.364 -0.165 518 3HB ALA 68 3HB ALA 68 3.717 -11.012 0.452 519 H ILE 69 H ILE 69 3.318 -7.250 1.241 520 HA ILE 69 HA ILE 69 5.824 -5.916 1.168 521 HB ILE 69 HB ILE 69 3.885 -5.259 -0.250 522 1HG1 ILE 69 1HG1 ILE 69 4.967 -3.033 1.505 523 2HG1 ILE 69 2HG1 ILE 69 5.790 -3.725 0.109 524 1HG2 ILE 69 1HG2 ILE 69 2.114 -5.453 1.414 525 2HG2 ILE 69 2HG2 ILE 69 2.114 -3.853 0.677 526 3HG2 ILE 69 3HG2 ILE 69 2.774 -4.076 2.296 527 1HD1 ILE 69 1HD1 ILE 69 3.182 -2.219 0.066 528 2HD1 ILE 69 2HD1 ILE 69 3.981 -2.930 -1.337 529 3HD1 ILE 69 3HD1 ILE 69 4.755 -1.613 -0.455 530 H GLU 70 H GLU 70 3.236 -6.125 3.572 531 HA GLU 70 HA GLU 70 4.271 -4.112 5.291 532 1HB GLU 70 1HB GLU 70 2.679 -4.825 6.905 533 2HB GLU 70 2HB GLU 70 1.909 -5.016 5.342 534 1HG GLU 70 1HG GLU 70 1.273 -6.969 6.316 535 2HG GLU 70 2HG GLU 70 2.788 -7.497 5.587 536 H ASP 71 H ASP 71 4.828 -7.538 4.920 537 HA ASP 71 HA ASP 71 6.333 -7.983 7.249 538 1HB ASP 71 1HB ASP 71 5.492 -9.854 5.961 539 2HB ASP 71 2HB ASP 71 6.440 -9.365 4.558 540 H THR 72 H THR 72 7.259 -7.036 3.992 541 HA THR 72 HA THR 72 10.059 -7.083 4.488 542 HB THR 72 HB THR 72 8.565 -5.690 2.251 543 HG1 THR 72 HG1 THR 72 8.018 -7.834 2.144 544 1HG2 THR 72 1HG2 THR 72 11.426 -6.673 2.435 545 2HG2 THR 72 2HG2 THR 72 10.913 -4.986 2.428 546 3HG2 THR 72 3HG2 THR 72 10.668 -5.987 0.998 547 H VAL 73 H VAL 73 7.606 -4.500 4.512 548 HA VAL 73 HA VAL 73 9.465 -2.375 4.709 549 HB VAL 73 HB VAL 73 7.124 -2.011 4.009 550 1HG1 VAL 73 1HG1 VAL 73 6.448 -2.452 6.916 551 2HG1 VAL 73 2HG1 VAL 73 5.989 -3.488 5.568 552 3HG1 VAL 73 3HG1 VAL 73 5.341 -1.852 5.681 553 1HG2 VAL 73 1HG2 VAL 73 8.471 -0.119 4.763 554 2HG2 VAL 73 2HG2 VAL 73 7.952 -0.394 6.426 555 3HG2 VAL 73 3HG2 VAL 73 6.778 0.103 5.207 556 H LYS 74 H LYS 74 8.018 -4.495 7.109 557 HA LYS 74 HA LYS 74 8.662 -3.160 9.463 558 1HB LYS 74 1HB LYS 74 8.745 -6.118 8.831 559 2HB LYS 74 2HB LYS 74 9.001 -5.479 10.449 560 1HG LYS 74 1HG LYS 74 6.730 -4.411 10.270 561 2HG LYS 74 2HG LYS 74 6.498 -5.335 8.787 562 1HD LYS 74 1HD LYS 74 7.260 -6.649 11.384 563 2HD LYS 74 2HD LYS 74 5.580 -6.331 10.966 564 1HE LYS 74 1HE LYS 74 6.095 -8.598 10.382 565 2HE LYS 74 2HE LYS 74 5.896 -7.674 8.900 566 1HZ LYS 74 1HZ LYS 74 7.796 -9.193 8.819 567 2HZ LYS 74 2HZ LYS 74 8.510 -8.389 10.126 568 3HZ LYS 74 3HZ LYS 74 8.286 -7.583 8.655 569 H LEU 75 H LEU 75 10.660 -5.208 7.422 570 HA LEU 75 HA LEU 75 12.979 -5.248 8.991 571 1HB LEU 75 1HB LEU 75 12.764 -5.393 5.980 572 2HB LEU 75 2HB LEU 75 14.144 -5.906 6.936 573 HG LEU 75 HG LEU 75 11.390 -7.159 6.972 574 1HD1 LEU 75 1HD1 LEU 75 14.028 -8.189 5.926 575 2HD1 LEU 75 2HD1 LEU 75 12.644 -7.684 4.955 576 3HD1 LEU 75 3HD1 LEU 75 12.518 -9.099 5.997 577 1HD2 LEU 75 1HD2 LEU 75 12.389 -7.249 9.186 578 2HD2 LEU 75 2HD2 LEU 75 13.882 -7.901 8.511 579 3HD2 LEU 75 3HD2 LEU 75 12.397 -8.850 8.447 580 H ILE 76 H ILE 76 11.762 -2.854 6.733 581 HA ILE 76 HA ILE 76 14.119 -1.318 6.464 582 HB ILE 76 HB ILE 76 11.254 -0.329 6.388 583 1HG1 ILE 76 1HG1 ILE 76 13.041 -1.260 4.118 584 2HG1 ILE 76 2HG1 ILE 76 11.682 -2.167 4.777 585 1HG2 ILE 76 1HG2 ILE 76 12.160 1.513 5.024 586 2HG2 ILE 76 2HG2 ILE 76 13.791 0.893 5.282 587 3HG2 ILE 76 3HG2 ILE 76 12.850 1.495 6.647 588 1HD1 ILE 76 1HD1 ILE 76 11.525 0.501 3.386 589 2HD1 ILE 76 2HD1 ILE 76 10.160 -0.394 4.055 590 3HD1 ILE 76 3HD1 ILE 76 11.078 -1.065 2.708 591 H LEU 77 H LEU 77 11.452 -1.220 8.784 592 HA LEU 77 HA LEU 77 12.431 0.994 10.271 593 1HB LEU 77 1HB LEU 77 10.463 -1.205 10.909 594 2HB LEU 77 2HB LEU 77 10.917 -0.011 12.110 595 HG LEU 77 HG LEU 77 8.799 0.577 11.061 596 1HD1 LEU 77 1HD1 LEU 77 9.329 2.865 10.377 597 2HD1 LEU 77 2HD1 LEU 77 11.034 2.432 10.246 598 3HD1 LEU 77 3HD1 LEU 77 10.228 2.387 11.815 599 1HD2 LEU 77 1HD2 LEU 77 8.651 1.178 8.702 600 2HD2 LEU 77 2HD2 LEU 77 9.121 -0.510 8.896 601 3HD2 LEU 77 3HD2 LEU 77 10.331 0.698 8.462 602 H ASP 78 H ASP 78 13.113 -2.410 10.291 603 HA ASP 78 HA ASP 78 14.418 -2.498 12.825 604 1HB ASP 78 1HB ASP 78 13.537 -4.536 11.848 605 2HB ASP 78 2HB ASP 78 14.548 -4.338 10.422 606 H GLY 79 H GLY 79 15.351 -1.455 9.683 607 1HA GLY 79 1HA GLY 79 17.900 -0.535 10.706 608 2HA GLY 79 2HA GLY 79 18.027 -1.773 9.462 609 H LYS 80 H LYS 80 16.440 1.332 10.120 610 HA LYS 80 HA LYS 80 15.669 1.942 7.509 611 1HB LYS 80 1HB LYS 80 16.501 3.928 9.642 612 2HB LYS 80 2HB LYS 80 15.580 4.304 8.198 613 1HG LYS 80 1HG LYS 80 13.927 4.221 9.777 614 2HG LYS 80 2HG LYS 80 13.886 2.564 9.172 615 1HD LYS 80 1HD LYS 80 15.001 1.727 11.068 616 2HD LYS 80 2HD LYS 80 15.562 3.327 11.554 617 1HE LYS 80 1HE LYS 80 13.254 3.971 12.075 618 2HE LYS 80 2HE LYS 80 12.700 2.367 11.594 619 1HZ LYS 80 1HZ LYS 80 12.928 2.502 13.975 620 2HZ LYS 80 2HZ LYS 80 14.543 2.982 13.841 621 3HZ LYS 80 3HZ LYS 80 14.082 1.425 13.362 622 H GLU 81 H GLU 81 18.662 2.772 9.212 623 HA GLU 81 HA GLU 81 19.769 4.014 6.816 624 1HB GLU 81 1HB GLU 81 20.973 3.680 9.578 625 2HB GLU 81 2HB GLU 81 21.630 4.665 8.277 626 1HG GLU 81 1HG GLU 81 18.981 5.121 9.650 627 2HG GLU 81 2HG GLU 81 20.472 6.001 9.978 628 H ALA 82 H ALA 82 19.954 1.073 8.633 629 HA ALA 82 HA ALA 82 22.450 0.176 7.516 630 1HB ALA 82 1HB ALA 82 21.959 -1.940 8.646 631 2HB ALA 82 2HB ALA 82 20.335 -1.369 9.025 632 3HB ALA 82 3HB ALA 82 21.736 -0.570 9.737 633 H ALA 83 H ALA 83 21.914 0.524 5.280 634 HA ALA 83 HA ALA 83 20.176 -1.551 4.110 635 1HB ALA 83 1HB ALA 83 20.030 -0.114 2.130 636 2HB ALA 83 2HB ALA 83 21.087 1.070 2.901 637 3HB ALA 83 3HB ALA 83 19.491 0.740 3.575 Start of MODEL 12 1 HA MET 1 HA MET 1 1.251 -1.252 9.264 2 1HB MET 1 1HB MET 1 3.331 -2.094 7.230 3 2HB MET 1 2HB MET 1 2.642 -0.485 7.405 4 1HG MET 1 1HG MET 1 4.808 -0.487 8.379 5 2HG MET 1 2HG MET 1 3.625 -0.388 9.684 6 1HE MET 1 1HE MET 1 6.733 -1.182 9.901 7 2HE MET 1 2HE MET 1 6.681 -2.498 11.075 8 3HE MET 1 3HE MET 1 5.702 -1.052 11.326 9 H ASN 2 H ASN 2 0.676 -4.278 8.032 10 HA ASN 2 HA ASN 2 0.075 -3.968 5.358 11 1HB ASN 2 1HB ASN 2 -1.408 -5.935 5.575 12 2HB ASN 2 2HB ASN 2 0.131 -6.163 6.391 13 1HD2 ASN 2 1HD2 ASN 2 -3.295 -5.725 6.801 14 2HD2 ASN 2 2HD2 ASN 2 -3.352 -6.213 8.462 15 H ALA 3 H ALA 3 -2.272 -3.690 8.033 16 HA ALA 3 HA ALA 3 -4.463 -2.966 6.418 17 1HB ALA 3 1HB ALA 3 -3.970 -2.335 9.335 18 2HB ALA 3 2HB ALA 3 -4.739 -3.791 8.704 19 3HB ALA 3 3HB ALA 3 -5.524 -2.223 8.505 20 H THR 4 H THR 4 -2.075 -1.066 8.168 21 HA THR 4 HA THR 4 -3.013 1.509 7.718 22 HB THR 4 HB THR 4 -0.145 0.532 7.888 23 HG1 THR 4 HG1 THR 4 -2.043 1.337 9.854 24 1HG2 THR 4 1HG2 THR 4 -0.269 2.830 7.039 25 2HG2 THR 4 2HG2 THR 4 0.400 2.779 8.669 26 3HG2 THR 4 3HG2 THR 4 -1.270 3.288 8.419 27 H ILE 5 H ILE 5 -1.050 -0.599 5.677 28 HA ILE 5 HA ILE 5 -0.291 1.321 3.757 29 HB ILE 5 HB ILE 5 -0.506 -1.688 3.533 30 1HG1 ILE 5 1HG1 ILE 5 1.948 0.063 3.846 31 2HG1 ILE 5 2HG1 ILE 5 1.121 -0.702 5.198 32 1HG2 ILE 5 1HG2 ILE 5 0.802 0.263 1.627 33 2HG2 ILE 5 2HG2 ILE 5 -0.631 -0.713 1.301 34 3HG2 ILE 5 3HG2 ILE 5 0.931 -1.495 1.539 35 1HD1 ILE 5 1HD1 ILE 5 3.073 -1.964 4.513 36 2HD1 ILE 5 2HD1 ILE 5 2.405 -2.136 2.888 37 3HD1 ILE 5 3HD1 ILE 5 1.593 -2.892 4.263 38 H ARG 6 H ARG 6 -2.778 -1.267 3.462 39 HA ARG 6 HA ARG 6 -3.756 -0.211 1.020 40 1HB ARG 6 1HB ARG 6 -5.705 -1.731 1.353 41 2HB ARG 6 2HB ARG 6 -4.140 -2.524 1.436 42 1HG ARG 6 1HG ARG 6 -4.278 -2.735 3.805 43 2HG ARG 6 2HG ARG 6 -5.705 -1.696 3.875 44 1HD ARG 6 1HD ARG 6 -7.073 -3.324 2.851 45 2HD ARG 6 2HD ARG 6 -5.686 -4.262 2.301 46 HE ARG 6 HE ARG 6 -5.293 -4.751 4.720 47 1HH1 ARG 6 1HH1 ARG 6 -8.515 -3.926 3.604 48 2HH1 ARG 6 2HH1 ARG 6 -9.312 -4.862 4.826 49 1HH2 ARG 6 1HH2 ARG 6 -6.334 -6.030 6.276 50 2HH2 ARG 6 2HH2 ARG 6 -8.071 -6.071 6.337 51 H GLU 7 H GLU 7 -4.359 0.595 4.306 52 HA GLU 7 HA GLU 7 -6.917 1.737 4.101 53 1HB GLU 7 1HB GLU 7 -5.843 1.273 6.251 54 2HB GLU 7 2HB GLU 7 -4.622 2.496 5.924 55 1HG GLU 7 1HG GLU 7 -6.301 4.242 5.999 56 2HG GLU 7 2HG GLU 7 -7.574 3.039 6.211 57 H ILE 8 H ILE 8 -3.689 3.113 3.519 58 HA ILE 8 HA ILE 8 -4.518 5.786 3.283 59 HB ILE 8 HB ILE 8 -2.111 5.036 3.485 60 1HG1 ILE 8 1HG1 ILE 8 -2.923 7.023 1.353 61 2HG1 ILE 8 2HG1 ILE 8 -2.633 7.353 3.057 62 1HG2 ILE 8 1HG2 ILE 8 -2.156 3.347 1.693 63 2HG2 ILE 8 2HG2 ILE 8 -0.878 4.534 1.455 64 3HG2 ILE 8 3HG2 ILE 8 -2.359 4.629 0.503 65 1HD1 ILE 8 1HD1 ILE 8 -0.573 6.520 1.031 66 2HD1 ILE 8 2HD1 ILE 8 -0.271 6.823 2.743 67 3HD1 ILE 8 3HD1 ILE 8 -0.804 8.137 1.695 68 H LEU 9 H LEU 9 -4.564 3.132 1.015 69 HA LEU 9 HA LEU 9 -4.888 4.566 -1.369 70 1HB LEU 9 1HB LEU 9 -5.728 1.799 -0.545 71 2HB LEU 9 2HB LEU 9 -6.149 2.433 -2.123 72 HG LEU 9 HG LEU 9 -4.177 1.069 -2.341 73 1HD1 LEU 9 1HD1 LEU 9 -4.278 3.072 -3.740 74 2HD1 LEU 9 2HD1 LEU 9 -2.615 2.651 -3.335 75 3HD1 LEU 9 3HD1 LEU 9 -3.413 3.986 -2.504 76 1HD2 LEU 9 1HD2 LEU 9 -2.869 2.856 -0.291 77 2HD2 LEU 9 2HD2 LEU 9 -2.100 1.533 -1.170 78 3HD2 LEU 9 3HD2 LEU 9 -3.393 1.195 -0.021 79 H ALA 10 H ALA 10 -7.101 3.943 1.219 80 HA ALA 10 HA ALA 10 -9.498 4.526 -0.218 81 1HB ALA 10 1HB ALA 10 -8.963 4.679 2.753 82 2HB ALA 10 2HB ALA 10 -9.510 3.249 1.876 83 3HB ALA 10 3HB ALA 10 -10.549 4.671 1.980 84 H LYS 11 H LYS 11 -7.062 6.462 1.368 85 HA LYS 11 HA LYS 11 -8.741 8.860 1.105 86 1HB LYS 11 1HB LYS 11 -6.997 9.896 2.666 87 2HB LYS 11 2HB LYS 11 -8.086 8.699 3.346 88 1HG LYS 11 1HG LYS 11 -6.283 6.992 3.042 89 2HG LYS 11 2HG LYS 11 -5.201 8.301 2.568 90 1HD LYS 11 1HD LYS 11 -6.636 8.089 5.222 91 2HD LYS 11 2HD LYS 11 -4.944 7.677 4.940 92 1HE LYS 11 1HE LYS 11 -4.537 10.019 4.233 93 2HE LYS 11 2HE LYS 11 -6.209 10.405 4.634 94 1HZ LYS 11 1HZ LYS 11 -4.167 9.401 6.543 95 2HZ LYS 11 2HZ LYS 11 -5.763 9.805 6.926 96 3HZ LYS 11 3HZ LYS 11 -4.688 11.005 6.413 97 H PHE 12 H PHE 12 -5.220 8.149 0.823 98 HA PHE 12 HA PHE 12 -4.885 10.368 -1.000 99 1HB PHE 12 1HB PHE 12 -3.026 8.302 0.154 100 2HB PHE 12 2HB PHE 12 -2.503 9.317 -1.179 101 HD1 PHE 12 HD1 PHE 12 -3.816 9.449 2.300 102 HD2 PHE 12 HD2 PHE 12 -1.681 11.468 -0.788 103 HE1 PHE 12 HE1 PHE 12 -3.168 11.209 3.894 104 HE2 PHE 12 HE2 PHE 12 -1.038 13.227 0.803 105 HZ PHE 12 HZ PHE 12 -1.778 13.099 3.147 106 H GLY 13 H GLY 13 -5.057 6.876 -1.164 107 1HA GLY 13 1HA GLY 13 -4.115 6.598 -3.824 108 2HA GLY 13 2HA GLY 13 -5.040 5.405 -2.925 109 H GLN 14 H GLN 14 -5.105 6.821 -5.712 110 HA GLN 14 HA GLN 14 -7.828 7.784 -5.798 111 1HB GLN 14 1HB GLN 14 -5.840 7.254 -8.026 112 2HB GLN 14 2HB GLN 14 -7.390 8.066 -8.216 113 1HG GLN 14 1HG GLN 14 -5.042 9.045 -6.590 114 2HG GLN 14 2HG GLN 14 -5.586 9.680 -8.142 115 1HE2 GLN 14 1HE2 GLN 14 -6.192 9.547 -4.725 116 2HE2 GLN 14 2HE2 GLN 14 -7.408 10.776 -4.684 117 H LEU 15 H LEU 15 -8.016 5.345 -4.767 118 HA LEU 15 HA LEU 15 -8.540 3.390 -6.855 119 1HB LEU 15 1HB LEU 15 -7.555 2.776 -4.611 120 2HB LEU 15 2HB LEU 15 -9.095 3.193 -3.885 121 HG LEU 15 HG LEU 15 -10.191 1.403 -5.205 122 1HD1 LEU 15 1HD1 LEU 15 -7.389 0.694 -6.068 123 2HD1 LEU 15 2HD1 LEU 15 -8.656 1.352 -7.102 124 3HD1 LEU 15 3HD1 LEU 15 -8.846 -0.245 -6.386 125 1HD2 LEU 15 1HD2 LEU 15 -9.440 0.913 -2.939 126 2HD2 LEU 15 2HD2 LEU 15 -7.842 0.471 -3.546 127 3HD2 LEU 15 3HD2 LEU 15 -9.251 -0.503 -3.976 128 HA PRO 16 HA PRO 16 -12.692 5.079 -7.174 129 1HB PRO 16 1HB PRO 16 -13.568 3.452 -9.157 130 2HB PRO 16 2HB PRO 16 -12.457 4.795 -9.457 131 1HG PRO 16 1HG PRO 16 -11.899 1.870 -9.234 132 2HG PRO 16 2HG PRO 16 -11.179 3.070 -10.322 133 1HD PRO 16 1HD PRO 16 -9.984 2.128 -8.025 134 2HD PRO 16 2HD PRO 16 -9.611 3.695 -8.775 135 H THR 17 H THR 17 -11.737 2.164 -5.987 136 HA THR 17 HA THR 17 -14.455 1.214 -5.435 137 HB THR 17 HB THR 17 -11.881 -0.235 -6.023 138 HG1 THR 17 HG1 THR 17 -12.876 -0.816 -7.822 139 1HG2 THR 17 1HG2 THR 17 -12.871 -1.340 -4.100 140 2HG2 THR 17 2HG2 THR 17 -13.022 -2.345 -5.541 141 3HG2 THR 17 3HG2 THR 17 -14.418 -1.449 -4.940 142 HA PRO 18 HA PRO 18 -13.397 1.966 -1.170 143 1HB PRO 18 1HB PRO 18 -15.103 0.162 0.022 144 2HB PRO 18 2HB PRO 18 -15.602 1.743 -0.587 145 1HG PRO 18 1HG PRO 18 -15.858 -0.948 -1.871 146 2HG PRO 18 2HG PRO 18 -17.020 0.393 -1.835 147 1HD PRO 18 1HD PRO 18 -15.487 -0.129 -3.999 148 2HD PRO 18 2HD PRO 18 -15.948 1.525 -3.555 149 H VAL 19 H VAL 19 -11.676 1.268 -0.084 150 HA VAL 19 HA VAL 19 -10.293 -1.089 -0.731 151 HB VAL 19 HB VAL 19 -10.002 0.666 1.725 152 1HG1 VAL 19 1HG1 VAL 19 -8.935 -1.495 2.083 153 2HG1 VAL 19 2HG1 VAL 19 -7.716 -0.238 1.868 154 3HG1 VAL 19 3HG1 VAL 19 -8.080 -1.349 0.546 155 1HG2 VAL 19 1HG2 VAL 19 -9.730 1.909 -0.361 156 2HG2 VAL 19 2HG2 VAL 19 -8.544 0.730 -0.925 157 3HG2 VAL 19 3HG2 VAL 19 -8.184 1.744 0.473 158 H ASP 20 H ASP 20 -12.847 -0.492 1.477 159 HA ASP 20 HA ASP 20 -12.509 -2.498 3.374 160 1HB ASP 20 1HB ASP 20 -14.200 -0.778 3.625 161 2HB ASP 20 2HB ASP 20 -15.057 -1.356 2.201 162 H THR 21 H THR 21 -13.474 -2.768 0.028 163 HA THR 21 HA THR 21 -14.639 -5.400 0.379 164 HB THR 21 HB THR 21 -15.441 -3.710 -1.352 165 HG1 THR 21 HG1 THR 21 -15.390 -6.333 -1.392 166 1HG2 THR 21 1HG2 THR 21 -13.013 -4.711 -2.856 167 2HG2 THR 21 2HG2 THR 21 -13.238 -3.072 -2.247 168 3HG2 THR 21 3HG2 THR 21 -14.295 -3.693 -3.515 169 H ILE 22 H ILE 22 -11.508 -4.115 -0.211 170 HA ILE 22 HA ILE 22 -10.538 -6.739 -1.149 171 HB ILE 22 HB ILE 22 -8.447 -5.566 -1.795 172 1HG1 ILE 22 1HG1 ILE 22 -9.993 -3.052 -1.097 173 2HG1 ILE 22 2HG1 ILE 22 -8.598 -3.673 -0.224 174 1HG2 ILE 22 1HG2 ILE 22 -10.188 -5.968 -3.460 175 2HG2 ILE 22 2HG2 ILE 22 -9.341 -4.455 -3.790 176 3HG2 ILE 22 3HG2 ILE 22 -10.946 -4.427 -3.056 177 1HD1 ILE 22 1HD1 ILE 22 -7.984 -1.824 -1.658 178 2HD1 ILE 22 2HD1 ILE 22 -8.608 -2.683 -3.066 179 3HD1 ILE 22 3HD1 ILE 22 -7.207 -3.312 -2.197 180 H ALA 23 H ALA 23 -8.158 -7.086 -0.342 181 HA ALA 23 HA ALA 23 -7.880 -6.377 2.471 182 1HB ALA 23 1HB ALA 23 -9.283 -8.386 2.474 183 2HB ALA 23 2HB ALA 23 -7.699 -8.706 3.183 184 3HB ALA 23 3HB ALA 23 -8.057 -9.246 1.541 185 H ASP 24 H ASP 24 -5.836 -7.732 3.309 186 HA ASP 24 HA ASP 24 -3.659 -6.545 1.930 187 1HB ASP 24 1HB ASP 24 -3.484 -8.693 4.058 188 2HB ASP 24 2HB ASP 24 -2.269 -7.482 3.659 189 H GLU 25 H GLU 25 -4.995 -9.767 2.017 190 HA GLU 25 HA GLU 25 -2.810 -10.847 0.401 191 1HB GLU 25 1HB GLU 25 -5.197 -12.375 1.440 192 2HB GLU 25 2HB GLU 25 -3.627 -13.004 0.953 193 1HG GLU 25 1HG GLU 25 -2.702 -11.627 2.926 194 2HG GLU 25 2HG GLU 25 -4.376 -11.541 3.462 195 H ALA 26 H ALA 26 -5.343 -9.083 -0.364 196 HA ALA 26 HA ALA 26 -6.412 -10.818 -2.486 197 1HB ALA 26 1HB ALA 26 -7.442 -8.145 -1.541 198 2HB ALA 26 2HB ALA 26 -8.024 -9.706 -0.967 199 3HB ALA 26 3HB ALA 26 -8.242 -9.250 -2.656 200 H ASP 27 H ASP 27 -6.985 -9.555 -4.550 201 HA ASP 27 HA ASP 27 -4.527 -8.330 -5.506 202 1HB ASP 27 1HB ASP 27 -7.067 -9.142 -6.950 203 2HB ASP 27 2HB ASP 27 -5.661 -8.438 -7.740 204 H LEU 28 H LEU 28 -4.584 -6.334 -4.436 205 HA LEU 28 HA LEU 28 -6.715 -4.539 -4.346 206 1HB LEU 28 1HB LEU 28 -3.737 -4.024 -4.374 207 2HB LEU 28 2HB LEU 28 -4.915 -2.748 -4.148 208 HG LEU 28 HG LEU 28 -5.746 -4.031 -2.117 209 1HD1 LEU 28 1HD1 LEU 28 -4.177 -5.598 -1.075 210 2HD1 LEU 28 2HD1 LEU 28 -3.168 -5.542 -2.521 211 3HD1 LEU 28 3HD1 LEU 28 -4.799 -6.206 -2.607 212 1HD2 LEU 28 1HD2 LEU 28 -4.380 -2.020 -1.938 213 2HD2 LEU 28 2HD2 LEU 28 -2.912 -2.988 -2.081 214 3HD2 LEU 28 3HD2 LEU 28 -3.962 -3.178 -0.676 215 H TYR 29 H TYR 29 -4.289 -5.049 -6.840 216 HA TYR 29 HA TYR 29 -4.961 -2.753 -8.361 217 1HB TYR 29 1HB TYR 29 -3.622 -3.861 -10.184 218 2HB TYR 29 2HB TYR 29 -2.773 -3.619 -8.666 219 HD1 TYR 29 HD1 TYR 29 -2.520 -5.628 -7.100 220 HD2 TYR 29 HD2 TYR 29 -3.754 -6.008 -11.159 221 HE1 TYR 29 HE1 TYR 29 -1.857 -7.993 -7.077 222 HE2 TYR 29 HE2 TYR 29 -3.101 -8.376 -11.139 223 HH TYR 29 HH TYR 29 -2.487 -10.094 -8.348 224 H ALA 30 H ALA 30 -6.374 -5.880 -8.111 225 HA ALA 30 HA ALA 30 -7.730 -5.818 -10.646 226 1HB ALA 30 1HB ALA 30 -8.972 -7.749 -9.803 227 2HB ALA 30 2HB ALA 30 -8.293 -7.492 -8.196 228 3HB ALA 30 3HB ALA 30 -7.239 -7.940 -9.535 229 H ALA 31 H ALA 31 -8.325 -4.581 -7.451 230 HA ALA 31 HA ALA 31 -11.117 -4.090 -7.717 231 1HB ALA 31 1HB ALA 31 -9.980 -4.113 -5.539 232 2HB ALA 31 2HB ALA 31 -10.837 -2.597 -5.804 233 3HB ALA 31 3HB ALA 31 -9.084 -2.663 -5.992 234 H GLY 32 H GLY 32 -8.294 -2.598 -8.937 235 1HA GLY 32 1HA GLY 32 -8.693 -1.248 -10.978 236 2HA GLY 32 2HA GLY 32 -9.920 -0.387 -10.058 237 H LEU 33 H LEU 33 -6.694 -1.371 -8.990 238 HA LEU 33 HA LEU 33 -6.178 1.226 -7.914 239 1HB LEU 33 1HB LEU 33 -5.339 -0.907 -6.916 240 2HB LEU 33 2HB LEU 33 -4.251 -1.074 -8.282 241 HG LEU 33 HG LEU 33 -3.116 1.024 -7.628 242 1HD1 LEU 33 1HD1 LEU 33 -4.957 0.933 -5.238 243 2HD1 LEU 33 2HD1 LEU 33 -4.982 2.136 -6.530 244 3HD1 LEU 33 3HD1 LEU 33 -3.592 2.031 -5.449 245 1HD2 LEU 33 1HD2 LEU 33 -3.290 -1.033 -5.420 246 2HD2 LEU 33 2HD2 LEU 33 -1.999 0.150 -5.629 247 3HD2 LEU 33 3HD2 LEU 33 -2.240 -1.113 -6.835 248 H SER 34 H SER 34 -5.260 2.901 -8.871 249 HA SER 34 HA SER 34 -4.192 2.610 -11.572 250 1HB SER 34 1HB SER 34 -4.816 5.134 -10.015 251 2HB SER 34 2HB SER 34 -4.498 5.009 -11.747 252 HG SER 34 HG SER 34 -6.402 3.840 -11.980 253 H SER 35 H SER 35 -2.208 3.621 -12.187 254 HA SER 35 HA SER 35 0.009 3.135 -10.599 255 1HB SER 35 1HB SER 35 1.187 4.701 -12.222 256 2HB SER 35 2HB SER 35 0.263 3.396 -12.970 257 HG SER 35 HG SER 35 -0.120 5.454 -13.949 258 H PHE 36 H PHE 36 -1.517 6.275 -11.279 259 HA PHE 36 HA PHE 36 0.013 7.901 -9.643 260 1HB PHE 36 1HB PHE 36 -2.959 8.147 -10.193 261 2HB PHE 36 2HB PHE 36 -1.909 9.442 -9.633 262 HD1 PHE 36 HD1 PHE 36 -0.255 10.448 -11.150 263 HD2 PHE 36 HD2 PHE 36 -2.977 7.459 -12.498 264 HE1 PHE 36 HE1 PHE 36 0.235 11.055 -13.483 265 HE2 PHE 36 HE2 PHE 36 -2.486 8.063 -14.831 266 HZ PHE 36 HZ PHE 36 -0.879 9.861 -15.328 267 H ALA 37 H ALA 37 -2.662 5.790 -8.832 268 HA ALA 37 HA ALA 37 -3.168 6.761 -6.224 269 1HB ALA 37 1HB ALA 37 -3.699 4.015 -7.369 270 2HB ALA 37 2HB ALA 37 -4.783 5.402 -7.470 271 3HB ALA 37 3HB ALA 37 -4.416 4.684 -5.901 272 H SER 38 H SER 38 -1.169 4.087 -7.451 273 HA SER 38 HA SER 38 -0.349 3.199 -4.884 274 1HB SER 38 1HB SER 38 1.473 2.006 -6.266 275 2HB SER 38 2HB SER 38 -0.206 1.592 -6.603 276 HG SER 38 HG SER 38 1.153 3.596 -8.065 277 H VAL 39 H VAL 39 0.810 5.684 -7.034 278 HA VAL 39 HA VAL 39 3.365 6.014 -5.793 279 HB VAL 39 HB VAL 39 1.752 7.965 -7.467 280 1HG1 VAL 39 1HG1 VAL 39 3.881 9.159 -7.803 281 2HG1 VAL 39 2HG1 VAL 39 4.665 8.068 -6.659 282 3HG1 VAL 39 3HG1 VAL 39 3.391 9.156 -6.107 283 1HG2 VAL 39 1HG2 VAL 39 2.333 5.909 -8.669 284 2HG2 VAL 39 2HG2 VAL 39 4.030 6.133 -8.244 285 3HG2 VAL 39 3HG2 VAL 39 3.227 7.291 -9.304 286 H GLN 40 H GLN 40 0.270 7.769 -5.534 287 HA GLN 40 HA GLN 40 1.075 9.601 -3.564 288 1HB GLN 40 1HB GLN 40 -1.692 8.438 -3.995 289 2HB GLN 40 2HB GLN 40 -1.327 9.894 -3.080 290 1HG GLN 40 1HG GLN 40 -0.972 9.482 -6.042 291 2HG GLN 40 2HG GLN 40 -2.179 10.491 -5.246 292 1HE2 GLN 40 1HE2 GLN 40 -1.508 12.428 -4.250 293 2HE2 GLN 40 2HE2 GLN 40 -0.019 13.192 -4.691 294 H LEU 41 H LEU 41 0.004 6.315 -3.407 295 HA LEU 41 HA LEU 41 -0.566 5.982 -0.720 296 1HB LEU 41 1HB LEU 41 -1.014 3.988 -1.643 297 2HB LEU 41 2HB LEU 41 0.006 4.331 -3.019 298 HG LEU 41 HG LEU 41 1.973 3.546 -1.585 299 1HD1 LEU 41 1HD1 LEU 41 1.437 2.012 0.249 300 2HD1 LEU 41 2HD1 LEU 41 -0.274 2.413 0.096 301 3HD1 LEU 41 3HD1 LEU 41 0.879 3.648 0.601 302 1HD2 LEU 41 1HD2 LEU 41 1.521 1.186 -2.072 303 2HD2 LEU 41 2HD2 LEU 41 1.054 2.229 -3.414 304 3HD2 LEU 41 3HD2 LEU 41 -0.180 1.564 -2.343 305 H MET 42 H MET 42 2.558 6.207 -2.335 306 HA MET 42 HA MET 42 4.093 5.129 -0.200 307 1HB MET 42 1HB MET 42 5.063 7.008 -2.366 308 2HB MET 42 2HB MET 42 6.030 5.877 -1.426 309 1HG MET 42 1HG MET 42 4.752 4.014 -2.463 310 2HG MET 42 2HG MET 42 3.938 5.200 -3.484 311 1HE MET 42 1HE MET 42 6.432 7.244 -3.931 312 2HE MET 42 2HE MET 42 5.285 6.802 -5.196 313 3HE MET 42 3HE MET 42 7.019 6.662 -5.488 314 H LEU 43 H LEU 43 3.580 8.477 -1.307 315 HA LEU 43 HA LEU 43 5.269 9.688 0.575 316 1HB LEU 43 1HB LEU 43 2.924 10.795 -0.973 317 2HB LEU 43 2HB LEU 43 3.938 11.788 0.057 318 HG LEU 43 HG LEU 43 4.668 12.092 -2.199 319 1HD1 LEU 43 1HD1 LEU 43 6.603 10.261 -0.780 320 2HD1 LEU 43 2HD1 LEU 43 6.443 12.000 -0.536 321 3HD1 LEU 43 3HD1 LEU 43 6.998 11.376 -2.088 322 1HD2 LEU 43 1HD2 LEU 43 3.722 10.072 -3.195 323 2HD2 LEU 43 2HD2 LEU 43 4.951 9.089 -2.397 324 3HD2 LEU 43 3HD2 LEU 43 5.420 10.259 -3.632 325 H GLY 44 H GLY 44 1.745 9.219 0.646 326 1HA GLY 44 1HA GLY 44 1.354 10.511 3.144 327 2HA GLY 44 2HA GLY 44 0.232 9.404 2.368 328 H ILE 45 H ILE 45 2.083 7.181 2.256 329 HA ILE 45 HA ILE 45 1.620 6.086 4.840 330 HB ILE 45 HB ILE 45 2.792 5.108 2.295 331 1HG1 ILE 45 1HG1 ILE 45 0.422 4.783 2.824 332 2HG1 ILE 45 2HG1 ILE 45 1.250 3.233 2.704 333 1HG2 ILE 45 1HG2 ILE 45 3.635 3.026 3.301 334 2HG2 ILE 45 2HG2 ILE 45 3.404 3.724 4.904 335 3HG2 ILE 45 3HG2 ILE 45 4.570 4.438 3.791 336 1HD1 ILE 45 1HD1 ILE 45 0.507 4.648 5.257 337 2HD1 ILE 45 2HD1 ILE 45 1.343 3.099 5.142 338 3HD1 ILE 45 3HD1 ILE 45 -0.310 3.253 4.552 339 H GLU 46 H GLU 46 4.380 7.582 3.289 340 HA GLU 46 HA GLU 46 6.407 6.863 5.063 341 1HB GLU 46 1HB GLU 46 6.826 8.134 2.998 342 2HB GLU 46 2HB GLU 46 5.984 9.524 3.672 343 1HG GLU 46 1HG GLU 46 7.710 9.573 5.493 344 2HG GLU 46 2HG GLU 46 8.591 8.334 4.603 345 H GLU 47 H GLU 47 4.309 9.731 5.159 346 HA GLU 47 HA GLU 47 5.156 10.496 7.762 347 1HB GLU 47 1HB GLU 47 3.285 12.115 7.679 348 2HB GLU 47 2HB GLU 47 4.334 12.194 6.272 349 1HG GLU 47 1HG GLU 47 2.708 11.003 4.940 350 2HG GLU 47 2HG GLU 47 1.675 10.778 6.352 351 H ALA 48 H ALA 48 2.718 8.346 6.555 352 HA ALA 48 HA ALA 48 0.895 8.351 8.651 353 1HB ALA 48 1HB ALA 48 0.207 6.146 7.888 354 2HB ALA 48 2HB ALA 48 1.693 5.988 6.951 355 3HB ALA 48 3HB ALA 48 0.502 7.213 6.515 356 H PHE 49 H PHE 49 3.799 6.210 8.286 357 HA PHE 49 HA PHE 49 3.652 5.912 11.210 358 1HB PHE 49 1HB PHE 49 4.303 3.568 11.101 359 2HB PHE 49 2HB PHE 49 2.785 3.855 10.267 360 HD1 PHE 49 HD2 PHE 49 6.364 3.087 9.811 361 HD2 PHE 49 HD1 PHE 49 2.546 3.394 7.945 362 HE1 PHE 49 HE2 PHE 49 7.232 1.889 7.848 363 HE2 PHE 49 HE1 PHE 49 3.408 2.182 5.986 364 HZ PHE 49 HZ PHE 49 5.756 1.435 5.932 365 H ASP 50 H ASP 50 5.844 6.074 8.408 366 HA ASP 50 HA ASP 50 7.892 7.226 9.944 367 1HB ASP 50 1HB ASP 50 7.983 4.858 10.855 368 2HB ASP 50 2HB ASP 50 8.556 4.355 9.267 369 H ILE 51 H ILE 51 8.047 4.762 7.325 370 HA ILE 51 HA ILE 51 9.074 6.860 5.539 371 HB ILE 51 HB ILE 51 10.788 5.434 4.597 372 1HG1 ILE 51 1HG1 ILE 51 9.722 3.227 5.057 373 2HG1 ILE 51 2HG1 ILE 51 11.424 3.277 5.486 374 1HG2 ILE 51 1HG2 ILE 51 12.387 5.384 6.463 375 2HG2 ILE 51 2HG2 ILE 51 11.059 5.685 7.581 376 3HG2 ILE 51 3HG2 ILE 51 11.480 6.894 6.371 377 1HD1 ILE 51 1HD1 ILE 51 10.747 3.605 7.858 378 2HD1 ILE 51 2HD1 ILE 51 10.252 2.064 7.161 379 3HD1 ILE 51 3HD1 ILE 51 9.074 3.357 7.361 380 H GLU 52 H GLU 52 9.192 6.108 3.253 381 HA GLU 52 HA GLU 52 6.849 4.473 2.607 382 1HB GLU 52 1HB GLU 52 7.457 5.475 0.212 383 2HB GLU 52 2HB GLU 52 6.491 6.359 1.378 384 1HG GLU 52 1HG GLU 52 8.095 7.827 0.372 385 2HG GLU 52 2HG GLU 52 8.487 7.608 2.073 386 H PHE 53 H PHE 53 7.111 3.234 0.487 387 HA PHE 53 HA PHE 53 8.861 1.122 1.034 388 1HB PHE 53 1HB PHE 53 7.428 1.751 -1.557 389 2HB PHE 53 2HB PHE 53 8.070 0.183 -1.084 390 HD1 PHE 53 HD2 PHE 53 7.196 -0.594 1.352 391 HD2 PHE 53 HD1 PHE 53 5.164 2.050 -1.301 392 HE1 PHE 53 HE2 PHE 53 5.064 -1.128 2.458 393 HE2 PHE 53 HE1 PHE 53 3.032 1.523 -0.193 394 HZ PHE 53 HZ PHE 53 2.979 -0.069 1.685 395 HA PRO 54 HA PRO 54 12.587 2.732 -0.917 396 1HB PRO 54 1HB PRO 54 14.160 0.576 -0.468 397 2HB PRO 54 2HB PRO 54 13.712 1.700 0.822 398 1HG PRO 54 1HG PRO 54 12.493 -0.956 0.126 399 2HG PRO 54 2HG PRO 54 12.969 -0.330 1.718 400 1HD PRO 54 1HD PRO 54 10.408 -0.267 0.862 401 2HD PRO 54 2HD PRO 54 11.082 1.005 1.900 402 H ASP 55 H ASP 55 13.874 2.267 -2.761 403 HA ASP 55 HA ASP 55 12.497 1.435 -5.000 404 1HB ASP 55 1HB ASP 55 15.503 1.500 -4.605 405 2HB ASP 55 2HB ASP 55 14.692 1.414 -6.164 406 H ASN 56 H ASN 56 14.614 -0.412 -2.919 407 HA ASN 56 HA ASN 56 15.196 -2.650 -4.350 408 1HB ASN 56 1HB ASN 56 16.055 -2.359 -2.121 409 2HB ASN 56 2HB ASN 56 14.440 -2.434 -1.428 410 1HD2 ASN 56 1HD2 ASN 56 17.030 -4.274 -2.865 411 2HD2 ASN 56 2HD2 ASN 56 16.475 -5.827 -2.352 412 H LEU 57 H LEU 57 12.084 -1.949 -2.793 413 HA LEU 57 HA LEU 57 11.088 -4.529 -3.825 414 1HB LEU 57 1HB LEU 57 9.500 -4.537 -1.929 415 2HB LEU 57 2HB LEU 57 11.179 -4.617 -1.438 416 HG LEU 57 HG LEU 57 10.991 -2.067 -1.046 417 1HD1 LEU 57 1HD1 LEU 57 8.719 -1.307 -0.443 418 2HD1 LEU 57 2HD1 LEU 57 8.064 -2.799 -1.125 419 3HD1 LEU 57 3HD1 LEU 57 8.900 -1.644 -2.164 420 1HD2 LEU 57 1HD2 LEU 57 9.482 -3.986 0.728 421 2HD2 LEU 57 2HD2 LEU 57 10.118 -2.411 1.206 422 3HD2 LEU 57 3HD2 LEU 57 11.224 -3.703 0.744 423 H LEU 58 H LEU 58 11.009 -1.500 -4.741 424 HA LEU 58 HA LEU 58 8.245 -0.865 -4.844 425 1HB LEU 58 1HB LEU 58 10.603 0.132 -6.431 426 2HB LEU 58 2HB LEU 58 8.970 0.689 -6.747 427 HG LEU 58 HG LEU 58 10.482 1.021 -4.149 428 1HD1 LEU 58 1HD1 LEU 58 11.294 2.489 -5.918 429 2HD1 LEU 58 2HD1 LEU 58 10.427 3.405 -4.687 430 3HD1 LEU 58 3HD1 LEU 58 9.649 3.045 -6.228 431 1HD2 LEU 58 1HD2 LEU 58 7.712 1.956 -4.916 432 2HD2 LEU 58 2HD2 LEU 58 8.569 2.374 -3.431 433 3HD2 LEU 58 3HD2 LEU 58 8.100 0.703 -3.735 434 H ASN 59 H ASN 59 9.898 -3.307 -6.402 435 HA ASN 59 HA ASN 59 8.616 -3.494 -8.869 436 1HB ASN 59 1HB ASN 59 9.111 -5.846 -8.825 437 2HB ASN 59 2HB ASN 59 10.447 -5.008 -8.053 438 1HD2 ASN 59 1HD2 ASN 59 8.789 -4.644 -5.558 439 2HD2 ASN 59 2HD2 ASN 59 8.837 -6.189 -4.790 440 H ARG 60 H ARG 60 6.645 -4.363 -9.539 441 HA ARG 60 HA ARG 60 4.507 -3.723 -7.789 442 1HB ARG 60 1HB ARG 60 3.059 -4.155 -9.617 443 2HB ARG 60 2HB ARG 60 4.525 -3.470 -10.302 444 1HG ARG 60 1HG ARG 60 5.249 -5.867 -10.764 445 2HG ARG 60 2HG ARG 60 3.591 -6.327 -10.381 446 1HD ARG 60 1HD ARG 60 4.614 -4.660 -12.658 447 2HD ARG 60 2HD ARG 60 3.586 -6.092 -12.708 448 HE ARG 60 HE ARG 60 2.598 -3.547 -11.592 449 1HH1 ARG 60 1HH1 ARG 60 2.264 -6.213 -13.835 450 2HH1 ARG 60 2HH1 ARG 60 0.764 -5.631 -14.488 451 1HH2 ARG 60 1HH2 ARG 60 0.634 -2.791 -12.444 452 2HH2 ARG 60 2HH2 ARG 60 -0.166 -3.693 -13.693 453 H LYS 61 H LYS 61 6.254 -6.596 -8.277 454 HA LYS 61 HA LYS 61 4.399 -8.591 -7.690 455 1HB LYS 61 1HB LYS 61 6.561 -9.230 -8.443 456 2HB LYS 61 2HB LYS 61 7.358 -8.351 -7.151 457 1HG LYS 61 1HG LYS 61 5.545 -10.502 -6.272 458 2HG LYS 61 2HG LYS 61 6.967 -11.031 -7.168 459 1HD LYS 61 1HD LYS 61 8.368 -9.701 -5.571 460 2HD LYS 61 2HD LYS 61 6.907 -9.373 -4.638 461 1HE LYS 61 1HE LYS 61 8.068 -12.107 -5.210 462 2HE LYS 61 2HE LYS 61 8.188 -11.236 -3.683 463 1HZ LYS 61 1HZ LYS 61 6.439 -12.880 -3.602 464 2HZ LYS 61 2HZ LYS 61 5.673 -12.194 -4.946 465 3HZ LYS 61 3HZ LYS 61 5.767 -11.330 -3.499 466 H SER 62 H SER 62 6.341 -6.591 -5.497 467 HA SER 62 HA SER 62 5.474 -7.924 -3.137 468 1HB SER 62 1HB SER 62 6.739 -5.198 -3.478 469 2HB SER 62 2HB SER 62 6.592 -6.077 -1.958 470 HG SER 62 HG SER 62 7.958 -7.657 -2.774 471 H PHE 63 H PHE 63 4.455 -4.972 -4.813 472 HA PHE 63 HA PHE 63 2.496 -4.155 -2.951 473 1HB PHE 63 1HB PHE 63 2.737 -3.685 -5.931 474 2HB PHE 63 2HB PHE 63 1.484 -2.946 -4.939 475 HD1 PHE 63 HD2 PHE 63 2.070 -1.287 -3.223 476 HD2 PHE 63 HD1 PHE 63 5.002 -2.889 -5.867 477 HE1 PHE 63 HE2 PHE 63 3.590 0.558 -2.648 478 HE2 PHE 63 HE1 PHE 63 6.523 -1.046 -5.290 479 HZ PHE 63 HZ PHE 63 5.820 0.680 -3.681 480 H ALA 64 H ALA 64 2.571 -6.778 -5.147 481 HA ALA 64 HA ALA 64 -0.288 -7.050 -5.437 482 1HB ALA 64 1HB ALA 64 0.235 -9.114 -6.628 483 2HB ALA 64 2HB ALA 64 1.923 -8.989 -6.130 484 3HB ALA 64 3HB ALA 64 1.231 -7.782 -7.215 485 H SER 65 H SER 65 1.686 -7.516 -2.867 486 HA SER 65 HA SER 65 -0.301 -9.141 -1.543 487 1HB SER 65 1HB SER 65 1.480 -10.708 -0.626 488 2HB SER 65 2HB SER 65 1.054 -10.940 -2.320 489 HG SER 65 HG SER 65 3.224 -10.940 -2.307 490 H ILE 66 H ILE 66 -0.733 -7.457 -0.211 491 HA ILE 66 HA ILE 66 1.124 -5.616 0.766 492 HB ILE 66 HB ILE 66 -1.585 -6.334 1.896 493 1HG1 ILE 66 1HG1 ILE 66 -1.710 -5.596 -0.426 494 2HG1 ILE 66 2HG1 ILE 66 -2.362 -4.351 0.633 495 1HG2 ILE 66 1HG2 ILE 66 -1.542 -4.113 2.946 496 2HG2 ILE 66 2HG2 ILE 66 0.120 -3.892 2.396 497 3HG2 ILE 66 3HG2 ILE 66 -0.262 -5.161 3.560 498 1HD1 ILE 66 1HD1 ILE 66 0.358 -4.356 -0.660 499 2HD1 ILE 66 2HD1 ILE 66 -0.244 -3.118 0.446 500 3HD1 ILE 66 3HD1 ILE 66 -1.029 -3.365 -1.113 501 H LYS 67 H LYS 67 -0.228 -8.507 2.336 502 HA LYS 67 HA LYS 67 0.838 -8.075 4.880 503 1HB LYS 67 1HB LYS 67 0.409 -10.374 5.369 504 2HB LYS 67 2HB LYS 67 -0.880 -9.806 4.320 505 1HG LYS 67 1HG LYS 67 1.505 -11.301 3.263 506 2HG LYS 67 2HG LYS 67 0.070 -12.122 3.872 507 1HD LYS 67 1HD LYS 67 -1.303 -10.991 2.199 508 2HD LYS 67 2HD LYS 67 0.101 -10.114 1.610 509 1HE LYS 67 1HE LYS 67 -0.491 -12.080 0.217 510 2HE LYS 67 2HE LYS 67 1.141 -12.160 0.879 511 1HZ LYS 67 1HZ LYS 67 0.425 -13.716 2.520 512 2HZ LYS 67 2HZ LYS 67 -0.129 -14.272 1.025 513 3HZ LYS 67 3HZ LYS 67 -1.202 -13.528 2.094 514 H ALA 68 H ALA 68 2.382 -9.208 1.984 515 HA ALA 68 HA ALA 68 4.692 -10.299 3.345 516 1HB ALA 68 1HB ALA 68 5.585 -10.665 1.100 517 2HB ALA 68 2HB ALA 68 4.252 -9.740 0.408 518 3HB ALA 68 3HB ALA 68 3.933 -11.269 1.226 519 H ILE 69 H ILE 69 4.041 -7.497 1.239 520 HA ILE 69 HA ILE 69 6.641 -6.421 1.365 521 HB ILE 69 HB ILE 69 5.000 -5.818 -0.378 522 1HG1 ILE 69 1HG1 ILE 69 5.987 -3.414 1.188 523 2HG1 ILE 69 2HG1 ILE 69 6.946 -4.351 0.046 524 1HG2 ILE 69 1HG2 ILE 69 2.999 -5.666 1.005 525 2HG2 ILE 69 2HG2 ILE 69 3.232 -4.191 0.069 526 3HG2 ILE 69 3HG2 ILE 69 3.633 -4.217 1.787 527 1HD1 ILE 69 1HD1 ILE 69 6.144 -2.287 -0.951 528 2HD1 ILE 69 2HD1 ILE 69 4.477 -2.755 -0.618 529 3HD1 ILE 69 3HD1 ILE 69 5.445 -3.689 -1.761 530 H GLU 70 H GLU 70 3.846 -6.058 3.446 531 HA GLU 70 HA GLU 70 4.816 -3.845 4.941 532 1HB GLU 70 1HB GLU 70 2.993 -4.194 6.406 533 2HB GLU 70 2HB GLU 70 2.413 -4.629 4.809 534 1HG GLU 70 1HG GLU 70 1.570 -6.389 5.943 535 2HG GLU 70 2HG GLU 70 3.171 -7.051 5.625 536 H ASP 71 H ASP 71 5.336 -7.285 5.092 537 HA ASP 71 HA ASP 71 6.532 -7.293 7.684 538 1HB ASP 71 1HB ASP 71 5.626 -9.342 6.567 539 2HB ASP 71 2HB ASP 71 6.975 -9.274 5.434 540 H THR 72 H THR 72 7.640 -6.758 4.420 541 HA THR 72 HA THR 72 10.423 -6.935 4.965 542 HB THR 72 HB THR 72 9.111 -5.423 2.693 543 HG1 THR 72 HG1 THR 72 9.217 -8.127 3.265 544 1HG2 THR 72 1HG2 THR 72 11.161 -6.017 1.475 545 2HG2 THR 72 2HG2 THR 72 11.791 -6.816 2.914 546 3HG2 THR 72 3HG2 THR 72 11.534 -5.071 2.917 547 H VAL 73 H VAL 73 8.076 -4.286 5.053 548 HA VAL 73 HA VAL 73 9.958 -2.180 5.174 549 HB VAL 73 HB VAL 73 7.489 -1.892 4.701 550 1HG1 VAL 73 1HG1 VAL 73 5.994 -1.511 6.612 551 2HG1 VAL 73 2HG1 VAL 73 7.265 -2.064 7.704 552 3HG1 VAL 73 3HG1 VAL 73 6.565 -3.175 6.530 553 1HG2 VAL 73 1HG2 VAL 73 8.934 0.030 5.038 554 2HG2 VAL 73 2HG2 VAL 73 8.734 -0.092 6.785 555 3HG2 VAL 73 3HG2 VAL 73 7.357 0.327 5.767 556 H LYS 74 H LYS 74 8.721 -4.372 7.603 557 HA LYS 74 HA LYS 74 9.420 -3.129 9.979 558 1HB LYS 74 1HB LYS 74 9.868 -6.037 9.256 559 2HB LYS 74 2HB LYS 74 9.887 -5.385 10.887 560 1HG LYS 74 1HG LYS 74 7.499 -4.729 10.571 561 2HG LYS 74 2HG LYS 74 7.527 -5.595 9.029 562 1HD LYS 74 1HD LYS 74 8.163 -7.658 10.194 563 2HD LYS 74 2HD LYS 74 8.154 -6.798 11.734 564 1HE LYS 74 1HE LYS 74 6.104 -7.943 11.628 565 2HE LYS 74 2HE LYS 74 5.730 -6.261 11.262 566 1HZ LYS 74 1HZ LYS 74 5.706 -6.821 8.914 567 2HZ LYS 74 2HZ LYS 74 4.587 -7.751 9.763 568 3HZ LYS 74 3HZ LYS 74 6.053 -8.438 9.272 569 H LEU 75 H LEU 75 11.413 -5.065 7.827 570 HA LEU 75 HA LEU 75 13.798 -5.111 9.221 571 1HB LEU 75 1HB LEU 75 13.465 -4.934 6.220 572 2HB LEU 75 2HB LEU 75 14.886 -5.525 7.065 573 HG LEU 75 HG LEU 75 12.152 -6.822 7.103 574 1HD1 LEU 75 1HD1 LEU 75 13.257 -7.053 4.945 575 2HD1 LEU 75 2HD1 LEU 75 13.201 -8.597 5.795 576 3HD1 LEU 75 3HD1 LEU 75 14.705 -7.676 5.737 577 1HD2 LEU 75 1HD2 LEU 75 14.762 -7.733 8.326 578 2HD2 LEU 75 2HD2 LEU 75 13.266 -8.667 8.272 579 3HD2 LEU 75 3HD2 LEU 75 13.338 -7.173 9.206 580 H ILE 76 H ILE 76 12.441 -2.507 7.306 581 HA ILE 76 HA ILE 76 14.797 -0.927 7.103 582 HB ILE 76 HB ILE 76 11.925 0.043 7.116 583 1HG1 ILE 76 1HG1 ILE 76 13.630 -0.791 4.744 584 2HG1 ILE 76 2HG1 ILE 76 12.314 -1.743 5.423 585 1HG2 ILE 76 1HG2 ILE 76 12.805 1.932 5.804 586 2HG2 ILE 76 2HG2 ILE 76 14.438 1.288 5.983 587 3HG2 ILE 76 3HG2 ILE 76 13.548 1.840 7.402 588 1HD1 ILE 76 1HD1 ILE 76 12.081 0.966 4.136 589 2HD1 ILE 76 2HD1 ILE 76 10.750 0.057 4.852 590 3HD1 ILE 76 3HD1 ILE 76 11.594 -0.578 3.440 591 H LEU 77 H LEU 77 12.192 -1.163 9.463 592 HA LEU 77 HA LEU 77 13.111 1.041 11.073 593 1HB LEU 77 1HB LEU 77 11.173 -1.188 11.747 594 2HB LEU 77 2HB LEU 77 11.405 0.281 12.676 595 HG LEU 77 HG LEU 77 10.275 0.108 9.875 596 1HD1 LEU 77 1HD1 LEU 77 8.193 0.858 10.910 597 2HD1 LEU 77 2HD1 LEU 77 8.956 0.810 12.499 598 3HD1 LEU 77 3HD1 LEU 77 8.726 -0.681 11.586 599 1HD2 LEU 77 1HD2 LEU 77 11.572 2.150 10.153 600 2HD2 LEU 77 2HD2 LEU 77 10.704 2.519 11.645 601 3HD2 LEU 77 3HD2 LEU 77 9.847 2.513 10.104 602 H ASP 78 H ASP 78 13.521 -2.439 11.035 603 HA ASP 78 HA ASP 78 14.875 -2.652 13.530 604 1HB ASP 78 1HB ASP 78 13.918 -4.641 12.526 605 2HB ASP 78 2HB ASP 78 14.900 -4.436 11.078 606 H GLY 79 H GLY 79 15.860 -2.054 10.221 607 1HA GLY 79 1HA GLY 79 18.673 -1.811 11.056 608 2HA GLY 79 2HA GLY 79 18.101 -1.988 9.403 609 H LYS 80 H LYS 80 16.803 0.205 11.826 610 HA LYS 80 HA LYS 80 16.482 2.441 10.329 611 1HB LYS 80 1HB LYS 80 17.016 1.984 13.223 612 2HB LYS 80 2HB LYS 80 17.163 3.634 12.647 613 1HG LYS 80 1HG LYS 80 14.711 1.932 12.266 614 2HG LYS 80 2HG LYS 80 14.944 3.072 13.595 615 1HD LYS 80 1HD LYS 80 15.362 4.837 11.796 616 2HD LYS 80 2HD LYS 80 14.721 3.660 10.647 617 1HE LYS 80 1HE LYS 80 12.620 3.586 11.856 618 2HE LYS 80 2HE LYS 80 13.263 4.677 13.084 619 1HZ LYS 80 1HZ LYS 80 13.568 6.331 11.259 620 2HZ LYS 80 2HZ LYS 80 11.957 5.957 11.615 621 3HZ LYS 80 3HZ LYS 80 12.689 5.298 10.245 622 H GLU 81 H GLU 81 19.313 2.034 12.442 623 HA GLU 81 HA GLU 81 20.863 3.718 10.575 624 1HB GLU 81 1HB GLU 81 20.288 4.750 12.810 625 2HB GLU 81 2HB GLU 81 21.248 3.491 13.573 626 1HG GLU 81 1HG GLU 81 23.239 4.286 12.403 627 2HG GLU 81 2HG GLU 81 22.278 5.530 11.604 628 H ALA 82 H ALA 82 20.469 0.790 10.687 629 HA ALA 82 HA ALA 82 23.038 -0.268 11.557 630 1HB ALA 82 1HB ALA 82 20.996 -1.573 11.942 631 2HB ALA 82 2HB ALA 82 22.133 -2.442 10.909 632 3HB ALA 82 3HB ALA 82 20.720 -1.655 10.203 633 H ALA 83 H ALA 83 22.395 1.602 9.130 634 HA ALA 83 HA ALA 83 23.396 0.120 6.875 635 1HB ALA 83 1HB ALA 83 21.811 1.956 6.553 636 2HB ALA 83 2HB ALA 83 23.324 2.273 5.704 637 3HB ALA 83 3HB ALA 83 22.978 3.095 7.227 Start of MODEL 13 1 HA MET 1 HA MET 1 2.135 0.873 9.645 2 1HB MET 1 1HB MET 1 3.199 -1.638 10.895 3 2HB MET 1 2HB MET 1 3.665 -1.220 9.251 4 1HG MET 1 1HG MET 1 4.709 0.779 9.941 5 2HG MET 1 2HG MET 1 3.967 0.703 11.534 6 1HE MET 1 1HE MET 1 7.276 -2.197 10.127 7 2HE MET 1 2HE MET 1 6.624 -0.902 9.122 8 3HE MET 1 3HE MET 1 5.613 -2.283 9.552 9 H ASN 2 H ASN 2 1.321 -2.638 9.822 10 HA ASN 2 HA ASN 2 0.871 -2.795 7.055 11 1HB ASN 2 1HB ASN 2 -0.253 -4.984 7.535 12 2HB ASN 2 2HB ASN 2 1.353 -4.820 8.227 13 1HD2 ASN 2 1HD2 ASN 2 0.941 -6.442 9.703 14 2HD2 ASN 2 2HD2 ASN 2 -0.074 -6.198 11.084 15 H ALA 3 H ALA 3 -1.416 -2.330 9.712 16 HA ALA 3 HA ALA 3 -3.726 -2.205 8.050 17 1HB ALA 3 1HB ALA 3 -3.297 -1.089 10.826 18 2HB ALA 3 2HB ALA 3 -3.874 -2.710 10.442 19 3HB ALA 3 3HB ALA 3 -4.853 -1.306 10.025 20 H THR 4 H THR 4 -1.537 0.172 9.435 21 HA THR 4 HA THR 4 -2.698 2.560 8.671 22 HB THR 4 HB THR 4 0.263 1.914 8.621 23 HG1 THR 4 HG1 THR 4 -1.291 2.777 10.851 24 1HG2 THR 4 1HG2 THR 4 -0.307 4.134 7.743 25 2HG2 THR 4 2HG2 THR 4 0.563 4.245 9.273 26 3HG2 THR 4 3HG2 THR 4 -1.182 4.498 9.231 27 H ILE 5 H ILE 5 -0.580 0.422 6.842 28 HA ILE 5 HA ILE 5 -0.223 2.089 4.593 29 HB ILE 5 HB ILE 5 0.146 -0.902 4.910 30 1HG1 ILE 5 1HG1 ILE 5 2.271 1.254 4.815 31 2HG1 ILE 5 2HG1 ILE 5 1.522 0.754 6.325 32 1HG2 ILE 5 1HG2 ILE 5 -0.136 -0.357 2.550 33 2HG2 ILE 5 2HG2 ILE 5 1.544 -0.775 2.881 34 3HG2 ILE 5 3HG2 ILE 5 1.079 0.914 2.678 35 1HD1 ILE 5 1HD1 ILE 5 2.326 -1.537 5.931 36 2HD1 ILE 5 2HD1 ILE 5 3.628 -0.354 6.045 37 3HD1 ILE 5 3HD1 ILE 5 3.136 -0.974 4.467 38 H ARG 6 H ARG 6 -2.364 -0.731 5.150 39 HA ARG 6 HA ARG 6 -3.584 -0.547 2.578 40 1HB ARG 6 1HB ARG 6 -5.205 -2.155 3.398 41 2HB ARG 6 2HB ARG 6 -3.598 -2.625 3.935 42 1HG ARG 6 1HG ARG 6 -4.081 -1.660 6.152 43 2HG ARG 6 2HG ARG 6 -5.710 -1.263 5.603 44 1HD ARG 6 1HD ARG 6 -6.150 -3.647 5.207 45 2HD ARG 6 2HD ARG 6 -4.523 -4.037 5.765 46 HE ARG 6 HE ARG 6 -6.336 -2.626 7.587 47 1HH1 ARG 6 1HH1 ARG 6 -4.571 -5.543 6.754 48 2HH1 ARG 6 2HH1 ARG 6 -4.876 -6.307 8.285 49 1HH2 ARG 6 1HH2 ARG 6 -6.717 -3.635 9.601 50 2HH2 ARG 6 2HH2 ARG 6 -6.097 -5.231 9.891 51 H GLU 7 H GLU 7 -4.109 0.998 5.630 52 HA GLU 7 HA GLU 7 -6.771 1.869 5.270 53 1HB GLU 7 1HB GLU 7 -5.796 1.869 7.470 54 2HB GLU 7 2HB GLU 7 -4.500 2.940 6.958 55 1HG GLU 7 1HG GLU 7 -6.025 4.778 6.723 56 2HG GLU 7 2HG GLU 7 -7.407 3.726 7.020 57 H ILE 8 H ILE 8 -3.637 3.334 4.476 58 HA ILE 8 HA ILE 8 -4.636 5.883 3.867 59 HB ILE 8 HB ILE 8 -2.193 5.265 4.255 60 1HG1 ILE 8 1HG1 ILE 8 -2.894 7.030 1.897 61 2HG1 ILE 8 2HG1 ILE 8 -2.981 7.506 3.587 62 1HG2 ILE 8 1HG2 ILE 8 -0.854 4.748 2.274 63 2HG2 ILE 8 2HG2 ILE 8 -2.321 4.621 1.305 64 3HG2 ILE 8 3HG2 ILE 8 -2.021 3.469 2.605 65 1HD1 ILE 8 1HD1 ILE 8 -1.005 8.394 2.542 66 2HD1 ILE 8 2HD1 ILE 8 -0.497 6.771 2.072 67 3HD1 ILE 8 3HD1 ILE 8 -0.566 7.215 3.778 68 H LEU 9 H LEU 9 -4.427 2.962 1.939 69 HA LEU 9 HA LEU 9 -4.810 4.040 -0.617 70 1HB LEU 9 1HB LEU 9 -5.468 1.378 0.602 71 2HB LEU 9 2HB LEU 9 -6.011 1.747 -1.022 72 HG LEU 9 HG LEU 9 -3.960 0.471 -1.116 73 1HD1 LEU 9 1HD1 LEU 9 -2.596 1.953 -2.489 74 2HD1 LEU 9 2HD1 LEU 9 -3.469 3.353 -1.865 75 3HD1 LEU 9 3HD1 LEU 9 -4.311 2.153 -2.847 76 1HD2 LEU 9 1HD2 LEU 9 -2.700 2.697 0.489 77 2HD2 LEU 9 2HD2 LEU 9 -1.861 1.307 -0.204 78 3HD2 LEU 9 3HD2 LEU 9 -3.051 1.070 1.075 79 H ALA 10 H ALA 10 -7.076 3.503 1.983 80 HA ALA 10 HA ALA 10 -9.439 3.650 0.388 81 1HB ALA 10 1HB ALA 10 -9.094 4.090 3.357 82 2HB ALA 10 2HB ALA 10 -9.420 2.546 2.569 83 3HB ALA 10 3HB ALA 10 -10.625 3.832 2.518 84 H LYS 11 H LYS 11 -7.362 6.003 1.877 85 HA LYS 11 HA LYS 11 -9.369 8.118 1.458 86 1HB LYS 11 1HB LYS 11 -7.948 9.420 3.109 87 2HB LYS 11 2HB LYS 11 -8.811 8.030 3.750 88 1HG LYS 11 1HG LYS 11 -6.680 6.714 3.479 89 2HG LYS 11 2HG LYS 11 -5.877 8.235 3.117 90 1HD LYS 11 1HD LYS 11 -7.347 7.585 5.678 91 2HD LYS 11 2HD LYS 11 -5.599 7.566 5.470 92 1HE LYS 11 1HE LYS 11 -6.110 9.617 6.526 93 2HE LYS 11 2HE LYS 11 -5.775 10.015 4.843 94 1HZ LYS 11 1HZ LYS 11 -8.535 9.573 5.812 95 2HZ LYS 11 2HZ LYS 11 -8.025 10.385 4.415 96 3HZ LYS 11 3HZ LYS 11 -7.789 11.082 5.932 97 H PHE 12 H PHE 12 -5.798 7.715 1.289 98 HA PHE 12 HA PHE 12 -5.586 9.960 -0.544 99 1HB PHE 12 1HB PHE 12 -3.615 8.144 0.807 100 2HB PHE 12 2HB PHE 12 -3.098 9.098 -0.571 101 HD1 PHE 12 HD1 PHE 12 -4.656 9.403 2.798 102 HD2 PHE 12 HD2 PHE 12 -2.410 11.302 -0.279 103 HE1 PHE 12 HE1 PHE 12 -4.252 11.317 4.283 104 HE2 PHE 12 HE2 PHE 12 -2.004 13.223 1.203 105 HZ PHE 12 HZ PHE 12 -2.922 13.231 3.487 106 H GLY 13 H GLY 13 -5.425 6.455 -0.643 107 1HA GLY 13 1HA GLY 13 -4.216 6.085 -3.130 108 2HA GLY 13 2HA GLY 13 -5.337 4.958 -2.376 109 H GLN 14 H GLN 14 -4.838 6.450 -5.159 110 HA GLN 14 HA GLN 14 -7.502 7.519 -5.625 111 1HB GLN 14 1HB GLN 14 -5.306 8.471 -6.591 112 2HB GLN 14 2HB GLN 14 -5.372 7.131 -7.730 113 1HG GLN 14 1HG GLN 14 -7.626 7.915 -8.434 114 2HG GLN 14 2HG GLN 14 -7.421 9.314 -7.386 115 1HE2 GLN 14 1HE2 GLN 14 -4.914 7.817 -9.357 116 2HE2 GLN 14 2HE2 GLN 14 -4.701 9.161 -10.423 117 H LEU 15 H LEU 15 -7.594 4.862 -4.915 118 HA LEU 15 HA LEU 15 -7.700 3.112 -7.174 119 1HB LEU 15 1HB LEU 15 -7.348 2.526 -4.686 120 2HB LEU 15 2HB LEU 15 -9.082 2.711 -4.519 121 HG LEU 15 HG LEU 15 -9.393 0.900 -6.213 122 1HD1 LEU 15 1HD1 LEU 15 -7.488 -0.537 -6.767 123 2HD1 LEU 15 2HD1 LEU 15 -6.403 0.575 -5.930 124 3HD1 LEU 15 3HD1 LEU 15 -7.260 1.102 -7.379 125 1HD2 LEU 15 1HD2 LEU 15 -9.511 0.423 -3.824 126 2HD2 LEU 15 2HD2 LEU 15 -7.767 0.164 -3.776 127 3HD2 LEU 15 3HD2 LEU 15 -8.796 -0.930 -4.700 128 HA PRO 16 HA PRO 16 -11.666 4.614 -8.559 129 1HB PRO 16 1HB PRO 16 -12.199 2.745 -10.447 130 2HB PRO 16 2HB PRO 16 -10.967 3.993 -10.676 131 1HG PRO 16 1HG PRO 16 -10.641 1.119 -9.913 132 2HG PRO 16 2HG PRO 16 -9.654 2.109 -11.004 133 1HD PRO 16 1HD PRO 16 -8.974 1.531 -8.401 134 2HD PRO 16 2HD PRO 16 -8.400 2.967 -9.281 135 H THR 17 H THR 17 -11.082 1.559 -7.192 136 HA THR 17 HA THR 17 -13.928 0.992 -6.789 137 HB THR 17 HB THR 17 -11.464 -0.743 -6.885 138 HG1 THR 17 HG1 THR 17 -12.171 -1.179 -8.823 139 1HG2 THR 17 1HG2 THR 17 -12.831 -1.542 -5.049 140 2HG2 THR 17 2HG2 THR 17 -12.895 -2.668 -6.406 141 3HG2 THR 17 3HG2 THR 17 -14.248 -1.579 -6.097 142 HA PRO 18 HA PRO 18 -13.301 2.024 -2.488 143 1HB PRO 18 1HB PRO 18 -15.200 0.354 -1.375 144 2HB PRO 18 2HB PRO 18 -15.554 1.926 -2.096 145 1HG PRO 18 1HG PRO 18 -15.832 -0.808 -3.279 146 2HG PRO 18 2HG PRO 18 -16.910 0.593 -3.425 147 1HD PRO 18 1HD PRO 18 -15.215 -0.115 -5.399 148 2HD PRO 18 2HD PRO 18 -15.598 1.584 -5.068 149 H VAL 19 H VAL 19 -11.662 1.341 -1.268 150 HA VAL 19 HA VAL 19 -10.413 -1.158 -1.503 151 HB VAL 19 HB VAL 19 -10.259 0.780 0.827 152 1HG1 VAL 19 1HG1 VAL 19 -8.057 -0.218 1.261 153 2HG1 VAL 19 2HG1 VAL 19 -8.335 -1.389 -0.027 154 3HG1 VAL 19 3HG1 VAL 19 -9.350 -1.407 1.416 155 1HG2 VAL 19 1HG2 VAL 19 -8.557 0.596 -1.666 156 2HG2 VAL 19 2HG2 VAL 19 -8.279 1.685 -0.307 157 3HG2 VAL 19 3HG2 VAL 19 -9.727 1.865 -1.298 158 H ASP 20 H ASP 20 -13.117 -0.144 0.313 159 HA ASP 20 HA ASP 20 -13.233 -1.857 2.466 160 1HB ASP 20 1HB ASP 20 -14.832 -0.059 2.114 161 2HB ASP 20 2HB ASP 20 -15.479 -0.867 0.691 162 H THR 21 H THR 21 -13.867 -2.583 -0.926 163 HA THR 21 HA THR 21 -15.150 -5.106 -0.306 164 HB THR 21 HB THR 21 -15.840 -3.736 -2.281 165 HG1 THR 21 HG1 THR 21 -15.866 -6.233 -2.050 166 1HG2 THR 21 1HG2 THR 21 -13.211 -4.673 -3.453 167 2HG2 THR 21 2HG2 THR 21 -13.615 -3.011 -3.031 168 3HG2 THR 21 3HG2 THR 21 -14.489 -3.827 -4.324 169 H ILE 22 H ILE 22 -11.932 -4.013 -0.931 170 HA ILE 22 HA ILE 22 -11.032 -6.766 -1.488 171 HB ILE 22 HB ILE 22 -8.877 -5.765 -2.196 172 1HG1 ILE 22 1HG1 ILE 22 -10.305 -3.111 -1.855 173 2HG1 ILE 22 2HG1 ILE 22 -9.009 -3.707 -0.824 174 1HG2 ILE 22 1HG2 ILE 22 -11.261 -4.622 -3.663 175 2HG2 ILE 22 2HG2 ILE 22 -10.623 -6.255 -3.853 176 3HG2 ILE 22 3HG2 ILE 22 -9.644 -4.866 -4.330 177 1HD1 ILE 22 1HD1 ILE 22 -8.188 -2.077 -2.411 178 2HD1 ILE 22 2HD1 ILE 22 -8.784 -3.054 -3.752 179 3HD1 ILE 22 3HD1 ILE 22 -7.482 -3.660 -2.729 180 H ALA 23 H ALA 23 -8.555 -6.879 -0.657 181 HA ALA 23 HA ALA 23 -8.073 -5.784 1.935 182 1HB ALA 23 1HB ALA 23 -8.153 -7.899 3.191 183 2HB ALA 23 2HB ALA 23 -8.797 -8.722 1.766 184 3HB ALA 23 3HB ALA 23 -9.745 -7.467 2.565 185 H ASP 24 H ASP 24 -6.131 -7.111 2.930 186 HA ASP 24 HA ASP 24 -3.991 -6.958 1.108 187 1HB ASP 24 1HB ASP 24 -2.632 -7.906 2.925 188 2HB ASP 24 2HB ASP 24 -3.704 -6.647 3.528 189 H GLU 25 H GLU 25 -5.931 -9.612 2.275 190 HA GLU 25 HA GLU 25 -4.390 -11.685 1.012 191 1HB GLU 25 1HB GLU 25 -7.121 -11.691 2.319 192 2HB GLU 25 2HB GLU 25 -6.299 -13.135 1.746 193 1HG GLU 25 1HG GLU 25 -5.106 -11.290 3.801 194 2HG GLU 25 2HG GLU 25 -6.144 -12.651 4.220 195 H ALA 26 H ALA 26 -6.316 -9.396 -0.320 196 HA ALA 26 HA ALA 26 -7.561 -11.214 -2.279 197 1HB ALA 26 1HB ALA 26 -9.135 -9.789 -1.032 198 2HB ALA 26 2HB ALA 26 -9.142 -9.435 -2.760 199 3HB ALA 26 3HB ALA 26 -8.305 -8.357 -1.643 200 H ASP 27 H ASP 27 -7.520 -10.631 -4.500 201 HA ASP 27 HA ASP 27 -5.003 -9.579 -5.356 202 1HB ASP 27 1HB ASP 27 -5.911 -9.987 -7.666 203 2HB ASP 27 2HB ASP 27 -5.910 -11.401 -6.621 204 H LEU 28 H LEU 28 -4.694 -7.497 -5.068 205 HA LEU 28 HA LEU 28 -6.645 -5.495 -4.966 206 1HB LEU 28 1HB LEU 28 -3.700 -5.140 -5.545 207 2HB LEU 28 2HB LEU 28 -4.791 -3.924 -4.909 208 HG LEU 28 HG LEU 28 -3.923 -6.444 -3.480 209 1HD1 LEU 28 1HD1 LEU 28 -2.150 -4.781 -3.649 210 2HD1 LEU 28 2HD1 LEU 28 -2.728 -4.931 -1.991 211 3HD1 LEU 28 3HD1 LEU 28 -3.223 -3.554 -2.975 212 1HD2 LEU 28 1HD2 LEU 28 -5.100 -5.525 -1.540 213 2HD2 LEU 28 2HD2 LEU 28 -6.206 -5.832 -2.878 214 3HD2 LEU 28 3HD2 LEU 28 -5.685 -4.183 -2.525 215 H TYR 29 H TYR 29 -4.948 -6.840 -7.664 216 HA TYR 29 HA TYR 29 -5.035 -4.711 -9.484 217 1HB TYR 29 1HB TYR 29 -5.561 -7.423 -10.599 218 2HB TYR 29 2HB TYR 29 -4.361 -6.227 -11.073 219 HD1 TYR 29 HD2 TYR 29 -2.235 -6.032 -9.696 220 HD2 TYR 29 HD1 TYR 29 -5.017 -9.217 -9.189 221 HE1 TYR 29 HE2 TYR 29 -0.506 -7.355 -8.552 222 HE2 TYR 29 HE1 TYR 29 -3.295 -10.547 -8.045 223 HH TYR 29 HH TYR 29 -0.754 -10.630 -8.010 224 H ALA 30 H ALA 30 -7.428 -7.017 -8.453 225 HA ALA 30 HA ALA 30 -9.358 -6.684 -10.448 226 1HB ALA 30 1HB ALA 30 -9.377 -8.509 -8.823 227 2HB ALA 30 2HB ALA 30 -10.912 -7.641 -8.819 228 3HB ALA 30 3HB ALA 30 -9.738 -7.364 -7.532 229 H ALA 31 H ALA 31 -8.535 -4.737 -7.679 230 HA ALA 31 HA ALA 31 -10.948 -3.124 -7.817 231 1HB ALA 31 1HB ALA 31 -8.466 -2.802 -6.126 232 2HB ALA 31 2HB ALA 31 -9.954 -3.615 -5.643 233 3HB ALA 31 3HB ALA 31 -9.961 -1.880 -5.954 234 H GLY 32 H GLY 32 -8.021 -3.253 -9.410 235 1HA GLY 32 1HA GLY 32 -7.462 -1.904 -11.251 236 2HA GLY 32 2HA GLY 32 -8.522 -0.647 -10.633 237 H LEU 33 H LEU 33 -5.878 -2.358 -9.004 238 HA LEU 33 HA LEU 33 -4.758 -0.069 -7.845 239 1HB LEU 33 1HB LEU 33 -4.328 -2.361 -7.050 240 2HB LEU 33 2HB LEU 33 -3.416 -2.700 -8.509 241 HG LEU 33 HG LEU 33 -1.745 -0.989 -7.842 242 1HD1 LEU 33 1HD1 LEU 33 -1.786 -0.089 -5.564 243 2HD1 LEU 33 2HD1 LEU 33 -3.371 -0.819 -5.305 244 3HD1 LEU 33 3HD1 LEU 33 -3.172 0.456 -6.509 245 1HD2 LEU 33 1HD2 LEU 33 -0.735 -2.274 -6.016 246 2HD2 LEU 33 2HD2 LEU 33 -1.374 -3.333 -7.271 247 3HD2 LEU 33 3HD2 LEU 33 -2.262 -3.120 -5.762 248 H SER 34 H SER 34 -4.054 1.613 -8.988 249 HA SER 34 HA SER 34 -2.606 1.166 -11.506 250 1HB SER 34 1HB SER 34 -3.877 3.716 -10.468 251 2HB SER 34 2HB SER 34 -3.244 3.435 -12.092 252 HG SER 34 HG SER 34 -5.132 1.601 -11.250 253 H SER 35 H SER 35 -0.787 2.624 -11.977 254 HA SER 35 HA SER 35 1.210 2.308 -10.070 255 1HB SER 35 1HB SER 35 1.608 2.520 -12.510 256 2HB SER 35 2HB SER 35 1.212 4.236 -12.412 257 HG SER 35 HG SER 35 3.197 4.559 -11.837 258 H PHE 36 H PHE 36 -0.342 5.374 -11.096 259 HA PHE 36 HA PHE 36 0.978 7.054 -9.317 260 1HB PHE 36 1HB PHE 36 -0.366 7.954 -11.137 261 2HB PHE 36 2HB PHE 36 -1.837 7.304 -10.418 262 HD1 PHE 36 HD2 PHE 36 0.972 9.652 -9.694 263 HD2 PHE 36 HD1 PHE 36 -3.109 8.643 -8.998 264 HE1 PHE 36 HE2 PHE 36 0.673 11.738 -8.426 265 HE2 PHE 36 HE1 PHE 36 -3.411 10.729 -7.731 266 HZ PHE 36 HZ PHE 36 -1.520 12.280 -7.442 267 H ALA 37 H ALA 37 -1.959 5.151 -8.872 268 HA ALA 37 HA ALA 37 -2.679 6.175 -6.348 269 1HB ALA 37 1HB ALA 37 -3.268 3.450 -7.515 270 2HB ALA 37 2HB ALA 37 -4.229 4.908 -7.760 271 3HB ALA 37 3HB ALA 37 -4.102 4.197 -6.151 272 H SER 38 H SER 38 -0.565 3.513 -7.329 273 HA SER 38 HA SER 38 -0.206 2.566 -4.651 274 1HB SER 38 1HB SER 38 1.572 1.106 -5.703 275 2HB SER 38 2HB SER 38 -0.038 0.940 -6.399 276 HG SER 38 HG SER 38 1.720 2.795 -7.547 277 H VAL 39 H VAL 39 1.508 4.831 -6.725 278 HA VAL 39 HA VAL 39 3.837 4.847 -4.990 279 HB VAL 39 HB VAL 39 4.769 6.552 -6.452 280 1HG1 VAL 39 1HG1 VAL 39 5.018 4.230 -7.130 281 2HG1 VAL 39 2HG1 VAL 39 4.859 5.268 -8.547 282 3HG1 VAL 39 3HG1 VAL 39 3.488 4.299 -8.004 283 1HG2 VAL 39 1HG2 VAL 39 2.103 6.510 -7.880 284 2HG2 VAL 39 2HG2 VAL 39 3.550 7.345 -8.445 285 3HG2 VAL 39 3HG2 VAL 39 2.770 7.851 -6.946 286 H GLN 40 H GLN 40 0.968 6.785 -5.517 287 HA GLN 40 HA GLN 40 1.827 9.093 -4.112 288 1HB GLN 40 1HB GLN 40 -0.103 8.907 -5.767 289 2HB GLN 40 2HB GLN 40 -1.038 8.184 -4.470 290 1HG GLN 40 1HG GLN 40 0.232 10.900 -4.229 291 2HG GLN 40 2HG GLN 40 -1.377 10.658 -4.902 292 1HE2 GLN 40 1HE2 GLN 40 -0.477 12.087 -2.491 293 2HE2 GLN 40 2HE2 GLN 40 -1.366 11.394 -1.184 294 H LEU 41 H LEU 41 0.168 6.140 -3.135 295 HA LEU 41 HA LEU 41 -0.671 6.912 -0.594 296 1HB LEU 41 1HB LEU 41 -1.046 4.651 -0.142 297 2HB LEU 41 2HB LEU 41 -1.194 4.761 -1.881 298 HG LEU 41 HG LEU 41 1.390 4.037 -1.760 299 1HD1 LEU 41 1HD1 LEU 41 1.453 3.982 0.696 300 2HD1 LEU 41 2HD1 LEU 41 1.763 2.395 -0.003 301 3HD1 LEU 41 3HD1 LEU 41 0.183 2.756 0.696 302 1HD2 LEU 41 1HD2 LEU 41 0.686 1.744 -2.157 303 2HD2 LEU 41 2HD2 LEU 41 -0.390 2.869 -2.985 304 3HD2 LEU 41 3HD2 LEU 41 -0.905 2.096 -1.487 305 H MET 42 H MET 42 2.495 6.126 -1.770 306 HA MET 42 HA MET 42 3.685 5.452 0.724 307 1HB MET 42 1HB MET 42 5.055 6.529 -1.752 308 2HB MET 42 2HB MET 42 5.809 5.633 -0.439 309 1HG MET 42 1HG MET 42 4.370 3.686 -1.034 310 2HG MET 42 2HG MET 42 3.810 4.594 -2.438 311 1HE MET 42 1HE MET 42 5.501 5.510 -4.323 312 2HE MET 42 2HE MET 42 7.203 5.060 -4.407 313 3HE MET 42 3HE MET 42 6.640 6.136 -3.130 314 H LEU 43 H LEU 43 3.261 8.449 -1.069 315 HA LEU 43 HA LEU 43 5.067 10.070 0.335 316 1HB LEU 43 1HB LEU 43 2.440 10.909 -0.909 317 2HB LEU 43 2HB LEU 43 3.789 11.965 -0.528 318 HG LEU 43 HG LEU 43 3.770 9.785 -2.626 319 1HD1 LEU 43 1HD1 LEU 43 3.842 12.792 -2.887 320 2HD1 LEU 43 2HD1 LEU 43 2.473 11.745 -3.265 321 3HD1 LEU 43 3HD1 LEU 43 3.955 11.635 -4.214 322 1HD2 LEU 43 1HD2 LEU 43 5.968 11.716 -1.864 323 2HD2 LEU 43 2HD2 LEU 43 5.997 10.614 -3.241 324 3HD2 LEU 43 3HD2 LEU 43 5.977 9.971 -1.600 325 H GLY 44 H GLY 44 1.627 9.413 0.897 326 1HA GLY 44 1HA GLY 44 1.492 11.061 3.255 327 2HA GLY 44 2HA GLY 44 0.256 9.950 2.679 328 H ILE 45 H ILE 45 2.153 7.711 2.562 329 HA ILE 45 HA ILE 45 1.723 6.738 5.204 330 HB ILE 45 HB ILE 45 2.561 5.629 2.631 331 1HG1 ILE 45 1HG1 ILE 45 0.382 5.193 3.656 332 2HG1 ILE 45 2HG1 ILE 45 1.272 3.686 3.440 333 1HG2 ILE 45 1HG2 ILE 45 3.737 3.651 3.524 334 2HG2 ILE 45 2HG2 ILE 45 3.813 4.435 5.102 335 3HG2 ILE 45 3HG2 ILE 45 4.658 5.142 3.727 336 1HD1 ILE 45 1HD1 ILE 45 0.957 5.216 6.015 337 2HD1 ILE 45 2HD1 ILE 45 1.885 3.729 5.815 338 3HD1 ILE 45 3HD1 ILE 45 0.138 3.718 5.573 339 H GLU 46 H GLU 46 4.443 8.169 3.552 340 HA GLU 46 HA GLU 46 6.574 7.326 5.128 341 1HB GLU 46 1HB GLU 46 6.849 8.678 3.091 342 2HB GLU 46 2HB GLU 46 6.122 10.061 3.898 343 1HG GLU 46 1HG GLU 46 8.001 10.037 5.525 344 2HG GLU 46 2HG GLU 46 8.742 8.740 4.592 345 H GLU 47 H GLU 47 4.598 10.253 5.547 346 HA GLU 47 HA GLU 47 5.753 10.981 8.028 347 1HB GLU 47 1HB GLU 47 3.871 12.596 8.178 348 2HB GLU 47 2HB GLU 47 4.719 12.668 6.641 349 1HG GLU 47 1HG GLU 47 2.927 11.304 5.622 350 2HG GLU 47 2HG GLU 47 2.065 11.333 7.159 351 H ALA 48 H ALA 48 3.166 8.863 7.125 352 HA ALA 48 HA ALA 48 1.537 8.908 9.361 353 1HB ALA 48 1HB ALA 48 0.745 6.718 8.660 354 2HB ALA 48 2HB ALA 48 2.153 6.526 7.615 355 3HB ALA 48 3HB ALA 48 0.962 7.778 7.267 356 H PHE 49 H PHE 49 4.382 6.755 8.806 357 HA PHE 49 HA PHE 49 4.370 6.336 11.723 358 1HB PHE 49 1HB PHE 49 5.037 3.989 11.445 359 2HB PHE 49 2HB PHE 49 3.453 4.322 10.763 360 HD1 PHE 49 HD2 PHE 49 6.949 3.486 10.000 361 HD2 PHE 49 HD1 PHE 49 3.051 4.113 8.393 362 HE1 PHE 49 HE2 PHE 49 7.653 2.438 7.889 363 HE2 PHE 49 HE1 PHE 49 3.751 3.059 6.286 364 HZ PHE 49 HZ PHE 49 6.053 2.224 6.029 365 H ASP 50 H ASP 50 6.386 6.654 8.827 366 HA ASP 50 HA ASP 50 8.565 7.657 10.263 367 1HB ASP 50 1HB ASP 50 8.609 5.236 11.072 368 2HB ASP 50 2HB ASP 50 9.091 4.794 9.437 369 H ILE 51 H ILE 51 8.457 5.272 7.596 370 HA ILE 51 HA ILE 51 9.476 7.329 5.759 371 HB ILE 51 HB ILE 51 11.151 5.900 4.807 372 1HG1 ILE 51 1HG1 ILE 51 10.087 3.712 5.039 373 2HG1 ILE 51 2HG1 ILE 51 11.721 3.672 5.681 374 1HG2 ILE 51 1HG2 ILE 51 12.743 5.672 6.666 375 2HG2 ILE 51 2HG2 ILE 51 11.425 5.941 7.806 376 3HG2 ILE 51 3HG2 ILE 51 11.892 7.216 6.682 377 1HD1 ILE 51 1HD1 ILE 51 9.147 3.688 7.235 378 2HD1 ILE 51 2HD1 ILE 51 10.735 3.900 7.973 379 3HD1 ILE 51 3HD1 ILE 51 10.347 2.401 7.129 380 H GLU 52 H GLU 52 9.454 6.524 3.458 381 HA GLU 52 HA GLU 52 7.114 4.805 3.007 382 1HB GLU 52 1HB GLU 52 7.242 5.847 0.630 383 2HB GLU 52 2HB GLU 52 6.559 6.779 1.949 384 1HG GLU 52 1HG GLU 52 7.895 8.254 0.711 385 2HG GLU 52 2HG GLU 52 8.787 7.907 2.188 386 H PHE 53 H PHE 53 7.262 3.636 0.813 387 HA PHE 53 HA PHE 53 9.204 1.647 1.286 388 1HB PHE 53 1HB PHE 53 7.412 1.978 -1.128 389 2HB PHE 53 2HB PHE 53 8.196 0.492 -0.598 390 HD1 PHE 53 HD1 PHE 53 7.677 -0.029 2.024 391 HD2 PHE 53 HD2 PHE 53 5.169 2.127 -0.661 392 HE1 PHE 53 HE1 PHE 53 5.723 -0.560 3.426 393 HE2 PHE 53 HE2 PHE 53 3.214 1.601 0.740 394 HZ PHE 53 HZ PHE 53 3.491 0.256 2.785 395 HA PRO 54 HA PRO 54 12.503 3.292 -1.196 396 1HB PRO 54 1HB PRO 54 14.229 1.257 -0.976 397 2HB PRO 54 2HB PRO 54 13.781 2.225 0.440 398 1HG PRO 54 1HG PRO 54 12.697 -0.440 -0.439 399 2HG PRO 54 2HG PRO 54 13.267 0.051 1.168 400 1HD PRO 54 1HD PRO 54 10.634 0.047 0.485 401 2HD PRO 54 2HD PRO 54 11.320 1.200 1.647 402 H ASP 55 H ASP 55 13.573 2.936 -3.207 403 HA ASP 55 HA ASP 55 11.807 2.145 -5.210 404 1HB ASP 55 1HB ASP 55 13.596 3.827 -5.502 405 2HB ASP 55 2HB ASP 55 14.796 2.540 -5.464 406 H ASN 56 H ASN 56 14.409 0.360 -3.687 407 HA ASN 56 HA ASN 56 14.826 -1.613 -5.610 408 1HB ASN 56 1HB ASN 56 15.367 -1.384 -2.701 409 2HB ASN 56 2HB ASN 56 15.355 -3.016 -3.354 410 1HD2 ASN 56 1HD2 ASN 56 16.970 0.062 -3.366 411 2HD2 ASN 56 2HD2 ASN 56 18.387 -0.462 -4.200 412 H LEU 57 H LEU 57 12.069 -1.202 -3.571 413 HA LEU 57 HA LEU 57 11.148 -3.869 -4.444 414 1HB LEU 57 1HB LEU 57 9.730 -3.987 -2.448 415 2HB LEU 57 2HB LEU 57 11.434 -3.898 -2.057 416 HG LEU 57 HG LEU 57 11.004 -1.366 -1.680 417 1HD1 LEU 57 1HD1 LEU 57 8.725 -0.840 -0.924 418 2HD1 LEU 57 2HD1 LEU 57 8.181 -2.414 -1.504 419 3HD1 LEU 57 3HD1 LEU 57 8.793 -1.215 -2.644 420 1HD2 LEU 57 1HD2 LEU 57 10.345 -1.780 0.637 421 2HD2 LEU 57 2HD2 LEU 57 11.555 -2.941 0.096 422 3HD2 LEU 57 3HD2 LEU 57 9.862 -3.422 0.211 423 H LEU 58 H LEU 58 10.784 -0.694 -5.089 424 HA LEU 58 HA LEU 58 7.915 -0.543 -5.262 425 1HB LEU 58 1HB LEU 58 10.014 1.175 -6.603 426 2HB LEU 58 2HB LEU 58 8.296 1.519 -6.559 427 HG LEU 58 HG LEU 58 10.185 1.497 -4.202 428 1HD1 LEU 58 1HD1 LEU 58 8.661 3.750 -5.510 429 2HD1 LEU 58 2HD1 LEU 58 10.399 3.466 -5.626 430 3HD1 LEU 58 3HD1 LEU 58 9.676 3.879 -4.072 431 1HD2 LEU 58 1HD2 LEU 58 8.266 2.251 -2.879 432 2HD2 LEU 58 2HD2 LEU 58 8.024 0.628 -3.520 433 3HD2 LEU 58 3HD2 LEU 58 7.212 2.002 -4.270 434 H ASN 59 H ASN 59 6.706 -0.416 -7.247 435 HA ASN 59 HA ASN 59 6.018 -1.145 -9.292 436 1HB ASN 59 1HB ASN 59 8.977 -1.257 -9.962 437 2HB ASN 59 2HB ASN 59 7.658 -1.323 -11.123 438 1HD2 ASN 59 1HD2 ASN 59 9.510 0.691 -8.994 439 2HD2 ASN 59 2HD2 ASN 59 8.937 2.208 -9.591 440 H ARG 60 H ARG 60 7.079 -3.023 -7.062 441 HA ARG 60 HA ARG 60 7.486 -5.437 -8.709 442 1HB ARG 60 1HB ARG 60 9.411 -4.605 -7.257 443 2HB ARG 60 2HB ARG 60 8.429 -5.024 -5.862 444 1HG ARG 60 1HG ARG 60 8.488 -7.348 -6.426 445 2HG ARG 60 2HG ARG 60 9.228 -7.005 -7.992 446 1HD ARG 60 1HD ARG 60 11.231 -6.152 -6.856 447 2HD ARG 60 2HD ARG 60 10.490 -6.496 -5.293 448 HE ARG 60 HE ARG 60 10.450 -8.901 -6.137 449 1HH1 ARG 60 1HH1 ARG 60 12.904 -6.596 -7.120 450 2HH1 ARG 60 2HH1 ARG 60 14.135 -7.801 -7.309 451 1HH2 ARG 60 1HH2 ARG 60 12.063 -10.487 -6.405 452 2HH2 ARG 60 2HH2 ARG 60 13.658 -10.018 -6.906 453 H LYS 61 H LYS 61 6.899 -7.476 -7.370 454 HA LYS 61 HA LYS 61 4.150 -7.595 -7.084 455 1HB LYS 61 1HB LYS 61 4.511 -9.837 -6.129 456 2HB LYS 61 2HB LYS 61 5.505 -9.555 -7.552 457 1HG LYS 61 1HG LYS 61 7.439 -9.099 -6.109 458 2HG LYS 61 2HG LYS 61 6.442 -9.408 -4.686 459 1HD LYS 61 1HD LYS 61 7.009 -11.413 -6.880 460 2HD LYS 61 2HD LYS 61 7.843 -11.349 -5.326 461 1HE LYS 61 1HE LYS 61 5.720 -11.764 -4.169 462 2HE LYS 61 2HE LYS 61 4.881 -11.816 -5.720 463 1HZ LYS 61 1HZ LYS 61 7.053 -13.674 -4.911 464 2HZ LYS 61 2HZ LYS 61 6.142 -13.749 -6.333 465 3HZ LYS 61 3HZ LYS 61 5.403 -14.028 -4.841 466 H SER 62 H SER 62 6.286 -6.244 -4.873 467 HA SER 62 HA SER 62 5.310 -6.895 -2.376 468 1HB SER 62 1HB SER 62 6.072 -4.569 -1.743 469 2HB SER 62 2HB SER 62 7.274 -5.514 -2.623 470 HG SER 62 HG SER 62 7.204 -3.519 -3.575 471 H PHE 63 H PHE 63 4.249 -4.199 -4.463 472 HA PHE 63 HA PHE 63 2.055 -3.458 -2.811 473 1HB PHE 63 1HB PHE 63 2.696 -2.816 -5.698 474 2HB PHE 63 2HB PHE 63 1.328 -2.125 -4.834 475 HD1 PHE 63 HD2 PHE 63 4.981 -2.179 -5.133 476 HD2 PHE 63 HD1 PHE 63 1.645 -0.446 -3.127 477 HE1 PHE 63 HE2 PHE 63 6.432 -0.398 -4.259 478 HE2 PHE 63 HE1 PHE 63 3.095 1.338 -2.252 479 HZ PHE 63 HZ PHE 63 5.492 1.361 -2.818 480 H ALA 64 H ALA 64 2.482 -5.926 -5.128 481 HA ALA 64 HA ALA 64 -0.213 -6.198 -6.005 482 1HB ALA 64 1HB ALA 64 2.015 -8.239 -5.977 483 2HB ALA 64 2HB ALA 64 1.682 -7.093 -7.276 484 3HB ALA 64 3HB ALA 64 0.512 -8.356 -6.892 485 H SER 65 H SER 65 1.424 -7.016 -3.120 486 HA SER 65 HA SER 65 -0.982 -8.247 -2.048 487 1HB SER 65 1HB SER 65 1.705 -9.662 -1.963 488 2HB SER 65 2HB SER 65 0.237 -10.197 -1.148 489 HG SER 65 HG SER 65 -0.392 -9.818 -3.689 490 H ILE 66 H ILE 66 -1.328 -6.863 -0.412 491 HA ILE 66 HA ILE 66 0.540 -5.184 0.761 492 HB ILE 66 HB ILE 66 -2.040 -6.179 1.989 493 1HG1 ILE 66 1HG1 ILE 66 -1.469 -3.707 0.325 494 2HG1 ILE 66 2HG1 ILE 66 -2.333 -5.136 -0.229 495 1HG2 ILE 66 1HG2 ILE 66 -1.977 -4.126 3.335 496 2HG2 ILE 66 2HG2 ILE 66 -0.394 -3.735 2.661 497 3HG2 ILE 66 3HG2 ILE 66 -0.595 -5.167 3.671 498 1HD1 ILE 66 1HD1 ILE 66 -3.871 -3.350 0.308 499 2HD1 ILE 66 2HD1 ILE 66 -3.226 -3.260 1.947 500 3HD1 ILE 66 3HD1 ILE 66 -4.090 -4.703 1.417 501 H LYS 67 H LYS 67 -0.610 -8.345 1.938 502 HA LYS 67 HA LYS 67 0.768 -8.344 4.366 503 1HB LYS 67 1HB LYS 67 0.539 -10.773 4.396 504 2HB LYS 67 2HB LYS 67 -0.958 -9.999 3.906 505 1HG LYS 67 1HG LYS 67 0.922 -10.979 1.801 506 2HG LYS 67 2HG LYS 67 -0.075 -12.139 2.680 507 1HD LYS 67 1HD LYS 67 -2.077 -10.776 2.054 508 2HD LYS 67 2HD LYS 67 -1.028 -9.793 1.034 509 1HE LYS 67 1HE LYS 67 -2.181 -11.505 -0.273 510 2HE LYS 67 2HE LYS 67 -0.438 -11.768 -0.279 511 1HZ LYS 67 1HZ LYS 67 -0.663 -13.532 1.271 512 2HZ LYS 67 2HZ LYS 67 -1.825 -13.801 0.068 513 3HZ LYS 67 3HZ LYS 67 -2.289 -13.170 1.564 514 H ALA 68 H ALA 68 1.934 -8.899 1.142 515 HA ALA 68 HA ALA 68 4.391 -10.159 1.943 516 1HB ALA 68 1HB ALA 68 3.428 -10.559 -0.277 517 2HB ALA 68 2HB ALA 68 5.054 -9.884 -0.397 518 3HB ALA 68 3HB ALA 68 3.648 -8.856 -0.685 519 H ILE 69 H ILE 69 3.420 -6.893 0.925 520 HA ILE 69 HA ILE 69 6.075 -5.852 1.070 521 HB ILE 69 HB ILE 69 4.332 -4.893 -0.413 522 1HG1 ILE 69 1HG1 ILE 69 5.453 -2.878 1.558 523 2HG1 ILE 69 2HG1 ILE 69 6.370 -3.610 0.246 524 1HG2 ILE 69 1HG2 ILE 69 2.652 -3.365 0.491 525 2HG2 ILE 69 2HG2 ILE 69 3.159 -3.769 2.131 526 3HG2 ILE 69 3HG2 ILE 69 2.425 -5.002 1.106 527 1HD1 ILE 69 1HD1 ILE 69 3.945 -1.853 -0.065 528 2HD1 ILE 69 2HD1 ILE 69 4.863 -2.587 -1.381 529 3HD1 ILE 69 3HD1 ILE 69 5.621 -1.381 -0.340 530 H GLU 70 H GLU 70 3.382 -6.026 3.335 531 HA GLU 70 HA GLU 70 4.353 -4.114 5.180 532 1HB GLU 70 1HB GLU 70 2.753 -4.986 6.750 533 2HB GLU 70 2HB GLU 70 2.013 -4.963 5.161 534 1HG GLU 70 1HG GLU 70 1.309 -7.002 5.846 535 2HG GLU 70 2HG GLU 70 2.844 -7.477 5.127 536 H ASP 71 H ASP 71 5.048 -7.477 4.647 537 HA ASP 71 HA ASP 71 6.556 -7.928 7.010 538 1HB ASP 71 1HB ASP 71 5.684 -9.788 5.688 539 2HB ASP 71 2HB ASP 71 6.644 -9.289 4.300 540 H THR 72 H THR 72 7.293 -6.691 3.811 541 HA THR 72 HA THR 72 10.134 -6.714 4.168 542 HB THR 72 HB THR 72 8.553 -5.189 2.085 543 HG1 THR 72 HG1 THR 72 8.749 -7.832 2.485 544 1HG2 THR 72 1HG2 THR 72 10.919 -4.547 2.235 545 2HG2 THR 72 2HG2 THR 72 10.608 -5.442 0.748 546 3HG2 THR 72 3HG2 THR 72 11.395 -6.240 2.108 547 H VAL 73 H VAL 73 7.579 -4.323 4.673 548 HA VAL 73 HA VAL 73 9.357 -2.106 4.912 549 HB VAL 73 HB VAL 73 6.926 -1.820 4.463 550 1HG1 VAL 73 1HG1 VAL 73 6.015 -3.478 5.974 551 2HG1 VAL 73 2HG1 VAL 73 5.331 -1.893 6.329 552 3HG1 VAL 73 3HG1 VAL 73 6.589 -2.563 7.368 553 1HG2 VAL 73 1HG2 VAL 73 7.935 -0.374 6.919 554 2HG2 VAL 73 2HG2 VAL 73 6.623 0.162 5.870 555 3HG2 VAL 73 3HG2 VAL 73 8.268 0.065 5.243 556 H LYS 74 H LYS 74 8.276 -4.595 7.082 557 HA LYS 74 HA LYS 74 8.894 -3.412 9.549 558 1HB LYS 74 1HB LYS 74 8.906 -6.304 8.672 559 2HB LYS 74 2HB LYS 74 9.129 -5.803 10.344 560 1HG LYS 74 1HG LYS 74 6.941 -4.885 10.455 561 2HG LYS 74 2HG LYS 74 6.720 -5.034 8.711 562 1HD LYS 74 1HD LYS 74 6.784 -7.483 8.920 563 2HD LYS 74 2HD LYS 74 6.990 -7.326 10.667 564 1HE LYS 74 1HE LYS 74 4.830 -6.301 10.891 565 2HE LYS 74 2HE LYS 74 4.642 -6.206 9.140 566 1HZ LYS 74 1HZ LYS 74 4.833 -8.740 10.678 567 2HZ LYS 74 2HZ LYS 74 4.525 -8.583 9.019 568 3HZ LYS 74 3HZ LYS 74 3.388 -8.038 10.144 569 H LEU 75 H LEU 75 10.931 -5.426 7.413 570 HA LEU 75 HA LEU 75 13.198 -5.368 9.076 571 1HB LEU 75 1HB LEU 75 14.510 -6.024 7.089 572 2HB LEU 75 2HB LEU 75 13.090 -7.013 7.349 573 HG LEU 75 HG LEU 75 11.972 -5.508 5.560 574 1HD1 LEU 75 1HD1 LEU 75 13.668 -3.772 5.437 575 2HD1 LEU 75 2HD1 LEU 75 13.500 -4.586 3.884 576 3HD1 LEU 75 3HD1 LEU 75 14.871 -4.958 4.930 577 1HD2 LEU 75 1HD2 LEU 75 14.147 -7.453 4.792 578 2HD2 LEU 75 2HD2 LEU 75 12.805 -6.939 3.765 579 3HD2 LEU 75 3HD2 LEU 75 12.488 -7.862 5.234 580 H ILE 76 H ILE 76 11.955 -3.025 6.799 581 HA ILE 76 HA ILE 76 14.216 -1.343 6.645 582 HB ILE 76 HB ILE 76 11.300 -0.509 6.626 583 1HG1 ILE 76 1HG1 ILE 76 13.135 -1.181 4.304 584 2HG1 ILE 76 2HG1 ILE 76 11.813 -2.189 4.887 585 1HG2 ILE 76 1HG2 ILE 76 13.754 0.934 5.610 586 2HG2 ILE 76 2HG2 ILE 76 12.799 1.371 7.027 587 3HG2 ILE 76 3HG2 ILE 76 12.087 1.479 5.418 588 1HD1 ILE 76 1HD1 ILE 76 11.528 0.573 3.717 589 2HD1 ILE 76 2HD1 ILE 76 10.213 -0.463 4.275 590 3HD1 ILE 76 3HD1 ILE 76 11.189 -0.948 2.891 591 H LEU 77 H LEU 77 11.416 -1.296 8.849 592 HA LEU 77 HA LEU 77 12.237 0.813 10.481 593 1HB LEU 77 1HB LEU 77 10.431 -1.537 10.920 594 2HB LEU 77 2HB LEU 77 10.842 -0.505 12.276 595 HG LEU 77 HG LEU 77 8.693 0.138 11.300 596 1HD1 LEU 77 1HD1 LEU 77 9.124 2.521 10.986 597 2HD1 LEU 77 2HD1 LEU 77 10.845 2.192 10.787 598 3HD1 LEU 77 3HD1 LEU 77 10.059 1.873 12.334 599 1HD2 LEU 77 1HD2 LEU 77 8.543 1.087 9.057 600 2HD2 LEU 77 2HD2 LEU 77 9.077 -0.593 8.999 601 3HD2 LEU 77 3HD2 LEU 77 10.243 0.711 8.772 602 H ASP 78 H ASP 78 13.326 -2.471 10.362 603 HA ASP 78 HA ASP 78 14.523 -2.610 12.926 604 1HB ASP 78 1HB ASP 78 14.030 -4.629 11.650 605 2HB ASP 78 2HB ASP 78 15.148 -4.135 10.385 606 H GLY 79 H GLY 79 15.496 -1.063 10.003 607 1HA GLY 79 1HA GLY 79 17.697 0.212 11.293 608 2HA GLY 79 2HA GLY 79 18.259 -1.032 10.182 609 H LYS 80 H LYS 80 15.792 1.525 10.187 610 HA LYS 80 HA LYS 80 15.434 1.870 7.513 611 1HB LYS 80 1HB LYS 80 15.512 4.133 9.520 612 2HB LYS 80 2HB LYS 80 14.763 4.201 7.934 613 1HG LYS 80 1HG LYS 80 12.900 3.764 9.122 614 2HG LYS 80 2HG LYS 80 13.437 2.097 8.924 615 1HD LYS 80 1HD LYS 80 12.800 2.508 11.231 616 2HD LYS 80 2HD LYS 80 14.533 2.210 11.130 617 1HE LYS 80 1HE LYS 80 14.996 4.578 11.309 618 2HE LYS 80 2HE LYS 80 13.274 4.955 11.247 619 1HZ LYS 80 1HZ LYS 80 14.639 3.433 13.397 620 2HZ LYS 80 2HZ LYS 80 12.986 3.786 13.344 621 3HZ LYS 80 3HZ LYS 80 14.116 5.038 13.501 622 H GLU 81 H GLU 81 17.513 4.079 9.349 623 HA GLU 81 HA GLU 81 19.015 4.638 6.891 624 1HB GLU 81 1HB GLU 81 19.902 6.551 8.560 625 2HB GLU 81 2HB GLU 81 18.448 6.726 7.592 626 1HG GLU 81 1HG GLU 81 18.075 7.478 9.869 627 2HG GLU 81 2HG GLU 81 17.072 6.080 9.494 628 H ALA 82 H ALA 82 19.244 2.941 9.787 629 HA ALA 82 HA ALA 82 22.021 3.178 10.312 630 1HB ALA 82 1HB ALA 82 20.183 0.887 11.014 631 2HB ALA 82 2HB ALA 82 20.382 2.357 11.969 632 3HB ALA 82 3HB ALA 82 21.742 1.253 11.755 633 H ALA 83 H ALA 83 20.106 0.973 8.338 634 HA ALA 83 HA ALA 83 22.408 -0.650 7.640 635 1HB ALA 83 1HB ALA 83 19.545 -0.772 6.671 636 2HB ALA 83 2HB ALA 83 20.247 -1.738 7.969 637 3HB ALA 83 3HB ALA 83 20.803 -1.955 6.309 Start of MODEL 14 1 HA MET 1 HA MET 1 2.041 0.738 9.598 2 1HB MET 1 1HB MET 1 3.490 -1.763 10.441 3 2HB MET 1 2HB MET 1 3.685 -1.106 8.822 4 1HG MET 1 1HG MET 1 4.586 0.929 9.667 5 2HG MET 1 2HG MET 1 4.179 0.489 11.320 6 1HE MET 1 1HE MET 1 6.550 -0.196 8.259 7 2HE MET 1 2HE MET 1 5.737 -1.746 8.476 8 3HE MET 1 3HE MET 1 7.458 -1.597 8.825 9 H ASN 2 H ASN 2 1.359 -2.792 9.888 10 HA ASN 2 HA ASN 2 0.716 -3.169 7.215 11 1HB ASN 2 1HB ASN 2 -0.485 -5.209 7.903 12 2HB ASN 2 2HB ASN 2 1.064 -5.055 8.722 13 1HD2 ASN 2 1HD2 ASN 2 1.110 -4.675 10.927 14 2HD2 ASN 2 2HD2 ASN 2 -0.288 -4.846 11.927 15 H ALA 3 H ALA 3 -1.541 -2.448 9.877 16 HA ALA 3 HA ALA 3 -3.833 -2.292 8.179 17 1HB ALA 3 1HB ALA 3 -4.983 -1.397 10.142 18 2HB ALA 3 2HB ALA 3 -3.438 -1.207 10.971 19 3HB ALA 3 3HB ALA 3 -4.028 -2.819 10.566 20 H THR 4 H THR 4 -1.603 0.015 9.593 21 HA THR 4 HA THR 4 -2.729 2.439 8.931 22 HB THR 4 HB THR 4 0.218 1.776 8.691 23 HG1 THR 4 HG1 THR 4 -1.286 2.391 11.044 24 1HG2 THR 4 1HG2 THR 4 -0.382 4.040 7.985 25 2HG2 THR 4 2HG2 THR 4 0.549 4.071 9.483 26 3HG2 THR 4 3HG2 THR 4 -1.198 4.315 9.524 27 H ILE 5 H ILE 5 -0.732 0.309 6.973 28 HA ILE 5 HA ILE 5 -0.496 1.990 4.708 29 HB ILE 5 HB ILE 5 -0.110 -1.001 4.986 30 1HG1 ILE 5 1HG1 ILE 5 2.031 1.126 4.802 31 2HG1 ILE 5 2HG1 ILE 5 1.337 0.648 6.346 32 1HG2 ILE 5 1HG2 ILE 5 0.716 0.842 2.732 33 2HG2 ILE 5 2HG2 ILE 5 -0.500 -0.435 2.651 34 3HG2 ILE 5 3HG2 ILE 5 1.196 -0.848 2.896 35 1HD1 ILE 5 1HD1 ILE 5 2.769 -1.175 4.427 36 2HD1 ILE 5 2HD1 ILE 5 2.097 -1.634 5.993 37 3HD1 ILE 5 3HD1 ILE 5 3.437 -0.491 5.910 38 H ARG 6 H ARG 6 -2.402 -1.020 5.177 39 HA ARG 6 HA ARG 6 -3.689 -0.898 2.691 40 1HB ARG 6 1HB ARG 6 -5.213 -2.561 3.516 41 2HB ARG 6 2HB ARG 6 -3.637 -2.902 4.213 42 1HG ARG 6 1HG ARG 6 -4.327 -1.907 6.324 43 2HG ARG 6 2HG ARG 6 -5.893 -1.485 5.629 44 1HD ARG 6 1HD ARG 6 -6.253 -3.453 6.884 45 2HD ARG 6 2HD ARG 6 -6.224 -3.959 5.197 46 HE ARG 6 HE ARG 6 -4.037 -4.886 5.557 47 1HH1 ARG 6 1HH1 ARG 6 -5.679 -3.820 8.465 48 2HH1 ARG 6 2HH1 ARG 6 -4.743 -4.837 9.521 49 1HH2 ARG 6 1HH2 ARG 6 -2.822 -6.238 6.925 50 2HH2 ARG 6 2HH2 ARG 6 -3.107 -6.217 8.643 51 H GLU 7 H GLU 7 -4.355 0.695 5.701 52 HA GLU 7 HA GLU 7 -7.020 1.514 5.154 53 1HB GLU 7 1HB GLU 7 -6.250 1.413 7.426 54 2HB GLU 7 2HB GLU 7 -4.925 2.518 7.087 55 1HG GLU 7 1HG GLU 7 -6.500 4.338 6.742 56 2HG GLU 7 2HG GLU 7 -7.854 3.239 7.008 57 H ILE 8 H ILE 8 -3.842 3.003 4.601 58 HA ILE 8 HA ILE 8 -4.797 5.602 4.129 59 HB ILE 8 HB ILE 8 -2.352 4.918 4.499 60 1HG1 ILE 8 1HG1 ILE 8 -3.074 6.889 2.313 61 2HG1 ILE 8 2HG1 ILE 8 -3.104 7.212 4.041 62 1HG2 ILE 8 1HG2 ILE 8 -2.175 3.273 2.699 63 2HG2 ILE 8 2HG2 ILE 8 -1.013 4.576 2.472 64 3HG2 ILE 8 3HG2 ILE 8 -2.484 4.529 1.504 65 1HD1 ILE 8 1HD1 ILE 8 -0.669 6.585 2.398 66 2HD1 ILE 8 2HD1 ILE 8 -0.690 6.896 4.135 67 3HD1 ILE 8 3HD1 ILE 8 -1.148 8.169 3.003 68 H LEU 9 H LEU 9 -4.566 2.803 2.053 69 HA LEU 9 HA LEU 9 -4.821 3.923 -0.465 70 1HB LEU 9 1HB LEU 9 -5.793 1.344 0.718 71 2HB LEU 9 2HB LEU 9 -6.260 1.772 -0.916 72 HG LEU 9 HG LEU 9 -4.333 0.275 -0.914 73 1HD1 LEU 9 1HD1 LEU 9 -4.551 1.892 -2.726 74 2HD1 LEU 9 2HD1 LEU 9 -2.857 1.573 -2.359 75 3HD1 LEU 9 3HD1 LEU 9 -3.612 3.067 -1.805 76 1HD2 LEU 9 1HD2 LEU 9 -2.892 2.461 0.591 77 2HD2 LEU 9 2HD2 LEU 9 -2.166 0.986 -0.045 78 3HD2 LEU 9 3HD2 LEU 9 -3.363 0.892 1.245 79 H ALA 10 H ALA 10 -7.204 3.658 2.062 80 HA ALA 10 HA ALA 10 -9.487 4.103 0.406 81 1HB ALA 10 1HB ALA 10 -9.643 2.972 2.573 82 2HB ALA 10 2HB ALA 10 -10.701 4.381 2.505 83 3HB ALA 10 3HB ALA 10 -9.176 4.465 3.389 84 H LYS 11 H LYS 11 -7.311 6.204 2.220 85 HA LYS 11 HA LYS 11 -9.073 8.501 1.669 86 1HB LYS 11 1HB LYS 11 -7.830 9.616 3.533 87 2HB LYS 11 2HB LYS 11 -8.747 8.194 4.010 88 1HG LYS 11 1HG LYS 11 -6.624 6.878 3.893 89 2HG LYS 11 2HG LYS 11 -5.767 8.394 3.624 90 1HD LYS 11 1HD LYS 11 -7.520 7.891 6.032 91 2HD LYS 11 2HD LYS 11 -5.794 7.543 6.008 92 1HE LYS 11 1HE LYS 11 -6.125 9.682 7.043 93 2HE LYS 11 2HE LYS 11 -5.368 9.936 5.474 94 1HZ LYS 11 1HZ LYS 11 -8.282 10.226 5.980 95 2HZ LYS 11 2HZ LYS 11 -7.445 10.642 4.570 96 3HZ LYS 11 3HZ LYS 11 -7.181 11.509 5.994 97 H PHE 12 H PHE 12 -6.048 7.194 0.778 98 HA PHE 12 HA PHE 12 -5.367 9.727 -0.572 99 1HB PHE 12 1HB PHE 12 -3.533 7.854 0.911 100 2HB PHE 12 2HB PHE 12 -2.917 8.878 -0.379 101 HD1 PHE 12 HD2 PHE 12 -2.921 11.324 -0.133 102 HD2 PHE 12 HD1 PHE 12 -4.136 8.769 3.048 103 HE1 PHE 12 HE2 PHE 12 -2.682 13.187 1.453 104 HE2 PHE 12 HE1 PHE 12 -3.900 10.629 4.638 105 HZ PHE 12 HZ PHE 12 -3.172 12.840 3.842 106 H GLY 13 H GLY 13 -5.300 6.216 -0.634 107 1HA GLY 13 1HA GLY 13 -4.052 5.857 -3.124 108 2HA GLY 13 2HA GLY 13 -5.167 4.726 -2.371 109 H GLN 14 H GLN 14 -4.689 6.797 -4.958 110 HA GLN 14 HA GLN 14 -7.433 7.447 -5.494 111 1HB GLN 14 1HB GLN 14 -5.577 8.867 -6.294 112 2HB GLN 14 2HB GLN 14 -5.010 7.552 -7.315 113 1HG GLN 14 1HG GLN 14 -6.273 9.293 -8.539 114 2HG GLN 14 2HG GLN 14 -6.974 7.682 -8.685 115 1HE2 GLN 14 1HE2 GLN 14 -7.353 10.860 -7.328 116 2HE2 GLN 14 2HE2 GLN 14 -9.018 10.692 -6.889 117 H LEU 15 H LEU 15 -8.005 5.136 -5.088 118 HA LEU 15 HA LEU 15 -7.607 3.337 -7.358 119 1HB LEU 15 1HB LEU 15 -7.350 2.611 -4.937 120 2HB LEU 15 2HB LEU 15 -9.078 2.839 -4.758 121 HG LEU 15 HG LEU 15 -9.441 1.099 -6.522 122 1HD1 LEU 15 1HD1 LEU 15 -7.586 -0.366 -7.130 123 2HD1 LEU 15 2HD1 LEU 15 -6.467 0.661 -6.233 124 3HD1 LEU 15 3HD1 LEU 15 -7.288 1.289 -7.662 125 1HD2 LEU 15 1HD2 LEU 15 -9.580 0.533 -4.150 126 2HD2 LEU 15 2HD2 LEU 15 -7.844 0.224 -4.110 127 3HD2 LEU 15 3HD2 LEU 15 -8.901 -0.805 -5.078 128 HA PRO 16 HA PRO 16 -11.588 4.666 -8.935 129 1HB PRO 16 1HB PRO 16 -11.889 2.814 -10.896 130 2HB PRO 16 2HB PRO 16 -10.751 4.161 -11.034 131 1HG PRO 16 1HG PRO 16 -10.236 1.301 -10.328 132 2HG PRO 16 2HG PRO 16 -9.282 2.394 -11.347 133 1HD PRO 16 1HD PRO 16 -8.667 1.795 -8.742 134 2HD PRO 16 2HD PRO 16 -8.187 3.307 -9.546 135 H THR 17 H THR 17 -10.864 1.671 -7.557 136 HA THR 17 HA THR 17 -13.657 0.800 -7.422 137 HB THR 17 HB THR 17 -11.012 -0.642 -7.290 138 HG1 THR 17 HG1 THR 17 -11.563 -1.371 -9.220 139 1HG2 THR 17 1HG2 THR 17 -13.729 -1.817 -6.730 140 2HG2 THR 17 2HG2 THR 17 -12.416 -1.621 -5.571 141 3HG2 THR 17 3HG2 THR 17 -12.234 -2.731 -6.928 142 HA PRO 18 HA PRO 18 -13.681 1.913 -3.117 143 1HB PRO 18 1HB PRO 18 -15.307 -0.130 -2.148 144 2HB PRO 18 2HB PRO 18 -15.880 1.381 -2.861 145 1HG PRO 18 1HG PRO 18 -15.616 -1.319 -4.101 146 2HG PRO 18 2HG PRO 18 -16.866 -0.086 -4.347 147 1HD PRO 18 1HD PRO 18 -14.903 -0.520 -6.147 148 2HD PRO 18 2HD PRO 18 -15.570 1.095 -5.864 149 H VAL 19 H VAL 19 -12.194 1.576 -1.606 150 HA VAL 19 HA VAL 19 -10.466 -0.682 -1.682 151 HB VAL 19 HB VAL 19 -10.658 1.439 0.479 152 1HG1 VAL 19 1HG1 VAL 19 -8.357 -0.354 -0.320 153 2HG1 VAL 19 2HG1 VAL 19 -9.313 -0.485 1.157 154 3HG1 VAL 19 3HG1 VAL 19 -8.291 0.927 0.892 155 1HG2 VAL 19 1HG2 VAL 19 -8.918 2.638 -0.784 156 2HG2 VAL 19 2HG2 VAL 19 -10.412 2.483 -1.708 157 3HG2 VAL 19 3HG2 VAL 19 -9.038 1.439 -2.074 158 H ASP 20 H ASP 20 -13.493 -0.336 -0.374 159 HA ASP 20 HA ASP 20 -13.105 -2.047 1.950 160 1HB ASP 20 1HB ASP 20 -14.769 -0.220 2.041 161 2HB ASP 20 2HB ASP 20 -15.645 -0.946 0.700 162 H THR 21 H THR 21 -13.820 -2.197 -1.347 163 HA THR 21 HA THR 21 -15.076 -4.757 -1.441 164 HB THR 21 HB THR 21 -14.075 -2.727 -3.383 165 HG1 THR 21 HG1 THR 21 -16.500 -4.206 -3.156 166 1HG2 THR 21 1HG2 THR 21 -13.126 -4.729 -4.332 167 2HG2 THR 21 2HG2 THR 21 -14.509 -4.203 -5.293 168 3HG2 THR 21 3HG2 THR 21 -14.670 -5.571 -4.189 169 H ILE 22 H ILE 22 -11.807 -3.571 -1.398 170 HA ILE 22 HA ILE 22 -10.748 -6.236 -2.043 171 HB ILE 22 HB ILE 22 -8.505 -5.120 -2.028 172 1HG1 ILE 22 1HG1 ILE 22 -10.153 -2.581 -1.809 173 2HG1 ILE 22 2HG1 ILE 22 -9.069 -3.211 -0.573 174 1HG2 ILE 22 1HG2 ILE 22 -9.705 -5.515 -4.116 175 2HG2 ILE 22 2HG2 ILE 22 -8.778 -4.019 -4.203 176 3HG2 ILE 22 3HG2 ILE 22 -10.524 -3.960 -3.956 177 1HD1 ILE 22 1HD1 ILE 22 -8.081 -1.365 -1.821 178 2HD1 ILE 22 2HD1 ILE 22 -8.238 -2.286 -3.315 179 3HD1 ILE 22 3HD1 ILE 22 -7.169 -2.855 -2.036 180 H ALA 23 H ALA 23 -8.556 -6.532 -0.634 181 HA ALA 23 HA ALA 23 -8.936 -5.909 2.156 182 1HB ALA 23 1HB ALA 23 -10.514 -7.770 1.863 183 2HB ALA 23 2HB ALA 23 -9.170 -8.222 2.913 184 3HB ALA 23 3HB ALA 23 -9.209 -8.780 1.240 185 H ASP 24 H ASP 24 -7.257 -7.219 3.476 186 HA ASP 24 HA ASP 24 -4.736 -6.398 2.640 187 1HB ASP 24 1HB ASP 24 -5.394 -6.841 4.993 188 2HB ASP 24 2HB ASP 24 -5.391 -8.568 4.653 189 H GLU 25 H GLU 25 -6.209 -9.606 2.482 190 HA GLU 25 HA GLU 25 -3.828 -10.713 1.202 191 1HB GLU 25 1HB GLU 25 -6.359 -12.123 2.075 192 2HB GLU 25 2HB GLU 25 -4.846 -12.882 1.592 193 1HG GLU 25 1HG GLU 25 -3.762 -11.698 3.531 194 2HG GLU 25 2HG GLU 25 -5.381 -11.245 4.055 195 H ALA 26 H ALA 26 -6.237 -8.987 0.034 196 HA ALA 26 HA ALA 26 -7.144 -10.761 -2.093 197 1HB ALA 26 1HB ALA 26 -8.742 -9.230 -1.011 198 2HB ALA 26 2HB ALA 26 -8.608 -8.935 -2.745 199 3HB ALA 26 3HB ALA 26 -7.809 -7.856 -1.601 200 H ASP 27 H ASP 27 -7.240 -9.659 -4.335 201 HA ASP 27 HA ASP 27 -4.504 -9.019 -5.068 202 1HB ASP 27 1HB ASP 27 -5.413 -9.218 -7.431 203 2HB ASP 27 2HB ASP 27 -5.476 -10.677 -6.454 204 H LEU 28 H LEU 28 -4.125 -6.966 -4.475 205 HA LEU 28 HA LEU 28 -5.956 -4.835 -4.565 206 1HB LEU 28 1HB LEU 28 -2.930 -4.689 -4.568 207 2HB LEU 28 2HB LEU 28 -4.011 -3.365 -4.197 208 HG LEU 28 HG LEU 28 -3.243 -4.062 -2.112 209 1HD1 LEU 28 1HD1 LEU 28 -5.644 -3.805 -2.101 210 2HD1 LEU 28 2HD1 LEU 28 -5.151 -5.049 -0.955 211 3HD1 LEU 28 3HD1 LEU 28 -5.856 -5.507 -2.506 212 1HD2 LEU 28 1HD2 LEU 28 -3.799 -6.958 -2.715 213 2HD2 LEU 28 2HD2 LEU 28 -2.916 -6.278 -1.354 214 3HD2 LEU 28 3HD2 LEU 28 -2.229 -6.201 -2.973 215 H TYR 29 H TYR 29 -3.284 -5.689 -6.712 216 HA TYR 29 HA TYR 29 -3.438 -3.581 -8.504 217 1HB TYR 29 1HB TYR 29 -2.357 -5.213 -10.137 218 2HB TYR 29 2HB TYR 29 -1.525 -4.974 -8.605 219 HD1 TYR 29 HD2 TYR 29 -1.681 -6.741 -6.831 220 HD2 TYR 29 HD1 TYR 29 -3.176 -7.381 -10.768 221 HE1 TYR 29 HE2 TYR 29 -1.692 -9.162 -6.429 222 HE2 TYR 29 HE1 TYR 29 -3.186 -9.807 -10.368 223 HH TYR 29 HH TYR 29 -2.817 -11.161 -7.268 224 H ALA 30 H ALA 30 -5.336 -6.539 -8.380 225 HA ALA 30 HA ALA 30 -6.401 -6.363 -11.005 226 1HB ALA 30 1HB ALA 30 -6.346 -8.469 -9.774 227 2HB ALA 30 2HB ALA 30 -7.988 -8.071 -10.275 228 3HB ALA 30 3HB ALA 30 -7.493 -7.823 -8.601 229 H ALA 31 H ALA 31 -7.327 -4.989 -7.932 230 HA ALA 31 HA ALA 31 -9.965 -4.202 -8.621 231 1HB ALA 31 1HB ALA 31 -9.167 -4.303 -6.299 232 2HB ALA 31 2HB ALA 31 -9.824 -2.713 -6.692 233 3HB ALA 31 3HB ALA 31 -8.078 -2.953 -6.618 234 H GLY 32 H GLY 32 -6.860 -3.016 -9.427 235 1HA GLY 32 1HA GLY 32 -6.813 -1.634 -11.474 236 2HA GLY 32 2HA GLY 32 -8.089 -0.666 -10.750 237 H LEU 33 H LEU 33 -5.453 -1.849 -8.812 238 HA LEU 33 HA LEU 33 -4.739 0.701 -7.875 239 1HB LEU 33 1HB LEU 33 -4.283 -1.389 -6.644 240 2HB LEU 33 2HB LEU 33 -3.108 -1.850 -7.861 241 HG LEU 33 HG LEU 33 -1.712 0.099 -7.240 242 1HD1 LEU 33 1HD1 LEU 33 -3.756 0.519 -5.055 243 2HD1 LEU 33 2HD1 LEU 33 -3.462 1.589 -6.426 244 3HD1 LEU 33 3HD1 LEU 33 -2.213 1.362 -5.203 245 1HD2 LEU 33 1HD2 LEU 33 -1.277 -2.069 -6.209 246 2HD2 LEU 33 2HD2 LEU 33 -2.432 -1.706 -4.925 247 3HD2 LEU 33 3HD2 LEU 33 -0.951 -0.760 -5.074 248 H SER 34 H SER 34 -4.010 2.234 -9.194 249 HA SER 34 HA SER 34 -2.234 1.556 -11.416 250 1HB SER 34 1HB SER 34 -3.549 4.209 -10.770 251 2HB SER 34 2HB SER 34 -2.795 3.739 -12.294 252 HG SER 34 HG SER 34 -4.755 2.006 -11.462 253 H SER 35 H SER 35 -0.406 3.072 -11.843 254 HA SER 35 HA SER 35 1.428 3.049 -9.764 255 1HB SER 35 1HB SER 35 1.480 4.887 -12.174 256 2HB SER 35 2HB SER 35 2.868 4.317 -11.241 257 HG SER 35 HG SER 35 2.584 3.101 -13.154 258 H PHE 36 H PHE 36 -0.679 5.655 -10.899 259 HA PHE 36 HA PHE 36 0.359 7.729 -9.318 260 1HB PHE 36 1HB PHE 36 -1.198 8.115 -11.192 261 2HB PHE 36 2HB PHE 36 -2.492 7.345 -10.278 262 HD1 PHE 36 HD1 PHE 36 -0.129 10.221 -10.201 263 HD2 PHE 36 HD2 PHE 36 -3.839 8.620 -8.839 264 HE1 PHE 36 HE1 PHE 36 -0.704 12.396 -9.206 265 HE2 PHE 36 HE2 PHE 36 -4.414 10.796 -7.845 266 HZ PHE 36 HZ PHE 36 -2.847 12.687 -8.027 267 H ALA 37 H ALA 37 -2.395 5.550 -8.694 268 HA ALA 37 HA ALA 37 -3.023 6.467 -6.128 269 1HB ALA 37 1HB ALA 37 -3.328 3.648 -7.180 270 2HB ALA 37 2HB ALA 37 -4.468 4.967 -7.452 271 3HB ALA 37 3HB ALA 37 -4.198 4.361 -5.819 272 H SER 38 H SER 38 -0.667 4.101 -7.227 273 HA SER 38 HA SER 38 -0.009 3.034 -4.700 274 1HB SER 38 1HB SER 38 0.522 1.907 -6.845 275 2HB SER 38 2HB SER 38 1.703 3.166 -7.203 276 HG SER 38 HG SER 38 2.588 1.224 -6.252 277 H VAL 39 H VAL 39 1.711 5.447 -6.714 278 HA VAL 39 HA VAL 39 3.688 6.000 -4.770 279 HB VAL 39 HB VAL 39 3.955 6.515 -7.188 280 1HG1 VAL 39 1HG1 VAL 39 1.734 7.417 -7.645 281 2HG1 VAL 39 2HG1 VAL 39 2.990 8.558 -8.128 282 3HG1 VAL 39 3HG1 VAL 39 2.083 8.823 -6.637 283 1HG2 VAL 39 1HG2 VAL 39 4.335 8.882 -5.347 284 2HG2 VAL 39 2HG2 VAL 39 5.149 8.639 -6.894 285 3HG2 VAL 39 3HG2 VAL 39 5.451 7.532 -5.554 286 H GLN 40 H GLN 40 0.469 7.199 -5.283 287 HA GLN 40 HA GLN 40 0.656 9.581 -3.780 288 1HB GLN 40 1HB GLN 40 -1.186 9.008 -5.391 289 2HB GLN 40 2HB GLN 40 -1.808 7.870 -4.203 290 1HG GLN 40 1HG GLN 40 -3.064 9.922 -4.101 291 2HG GLN 40 2HG GLN 40 -2.128 9.732 -2.620 292 1HE2 GLN 40 1HE2 GLN 40 -0.737 10.740 -5.675 293 2HE2 GLN 40 2HE2 GLN 40 -0.390 12.364 -5.197 294 H LEU 41 H LEU 41 -0.253 6.263 -2.910 295 HA LEU 41 HA LEU 41 -1.004 6.873 -0.243 296 1HB LEU 41 1HB LEU 41 -1.310 4.598 0.063 297 2HB LEU 41 2HB LEU 41 -1.515 4.762 -1.665 298 HG LEU 41 HG LEU 41 1.131 4.153 -1.575 299 1HD1 LEU 41 1HD1 LEU 41 -0.093 2.641 0.737 300 2HD1 LEU 41 2HD1 LEU 41 1.145 3.893 0.863 301 3HD1 LEU 41 3HD1 LEU 41 1.509 2.375 0.043 302 1HD2 LEU 41 1HD2 LEU 41 -1.127 2.147 -1.548 303 2HD2 LEU 41 2HD2 LEU 41 0.496 1.879 -2.182 304 3HD2 LEU 41 3HD2 LEU 41 -0.567 3.054 -2.954 305 H MET 42 H MET 42 2.027 6.291 -1.813 306 HA MET 42 HA MET 42 3.623 5.639 0.423 307 1HB MET 42 1HB MET 42 4.511 7.159 -2.045 308 2HB MET 42 2HB MET 42 5.528 6.220 -0.959 309 1HG MET 42 1HG MET 42 3.391 5.159 -2.788 310 2HG MET 42 2HG MET 42 5.136 5.005 -2.999 311 1HE MET 42 1HE MET 42 3.698 1.384 -2.134 312 2HE MET 42 2HE MET 42 4.433 2.375 -3.394 313 3HE MET 42 3HE MET 42 2.765 2.668 -2.904 314 H LEU 43 H LEU 43 2.758 8.710 -1.079 315 HA LEU 43 HA LEU 43 4.486 10.405 0.289 316 1HB LEU 43 1HB LEU 43 1.673 11.006 -0.652 317 2HB LEU 43 2HB LEU 43 2.903 12.199 -0.276 318 HG LEU 43 HG LEU 43 3.021 10.199 -2.544 319 1HD1 LEU 43 1HD1 LEU 43 1.380 11.961 -2.928 320 2HD1 LEU 43 2HD1 LEU 43 2.769 12.148 -3.996 321 3HD1 LEU 43 3HD1 LEU 43 2.598 13.189 -2.580 322 1HD2 LEU 43 1HD2 LEU 43 4.938 12.413 -1.794 323 2HD2 LEU 43 2HD2 LEU 43 5.026 11.420 -3.250 324 3HD2 LEU 43 3HD2 LEU 43 5.245 10.680 -1.666 325 H GLY 44 H GLY 44 1.172 9.430 1.127 326 1HA GLY 44 1HA GLY 44 1.145 10.911 3.586 327 2HA GLY 44 2HA GLY 44 -0.050 9.733 3.063 328 H ILE 45 H ILE 45 1.682 7.524 2.714 329 HA ILE 45 HA ILE 45 1.663 6.511 5.345 330 HB ILE 45 HB ILE 45 2.329 5.477 2.675 331 1HG1 ILE 45 1HG1 ILE 45 0.197 5.025 3.759 332 2HG1 ILE 45 2HG1 ILE 45 1.071 3.518 3.511 333 1HG2 ILE 45 1HG2 ILE 45 4.465 4.954 3.675 334 2HG2 ILE 45 2HG2 ILE 45 3.525 3.476 3.474 335 3HG2 ILE 45 3HG2 ILE 45 3.669 4.220 5.066 336 1HD1 ILE 45 1HD1 ILE 45 0.877 5.035 6.104 337 2HD1 ILE 45 2HD1 ILE 45 1.735 3.513 5.857 338 3HD1 ILE 45 3HD1 ILE 45 -0.019 3.578 5.679 339 H GLU 46 H GLU 46 4.146 8.039 3.440 340 HA GLU 46 HA GLU 46 6.442 7.294 4.815 341 1HB GLU 46 1HB GLU 46 6.496 8.644 2.772 342 2HB GLU 46 2HB GLU 46 5.738 9.986 3.618 343 1HG GLU 46 1HG GLU 46 7.712 10.145 5.088 344 2HG GLU 46 2HG GLU 46 8.477 8.849 4.167 345 H GLU 47 H GLU 47 4.391 10.147 5.399 346 HA GLU 47 HA GLU 47 5.705 10.802 7.846 347 1HB GLU 47 1HB GLU 47 3.948 12.507 8.108 348 2HB GLU 47 2HB GLU 47 4.697 12.561 6.521 349 1HG GLU 47 1HG GLU 47 2.769 11.373 5.577 350 2HG GLU 47 2HG GLU 47 2.016 11.350 7.173 351 H ALA 48 H ALA 48 3.030 8.804 6.960 352 HA ALA 48 HA ALA 48 1.448 8.843 9.216 353 1HB ALA 48 1HB ALA 48 0.609 6.675 8.531 354 2HB ALA 48 2HB ALA 48 2.011 6.438 7.484 355 3HB ALA 48 3HB ALA 48 0.844 7.711 7.123 356 H PHE 49 H PHE 49 4.247 6.619 8.640 357 HA PHE 49 HA PHE 49 4.250 6.223 11.560 358 1HB PHE 49 1HB PHE 49 4.834 3.865 11.304 359 2HB PHE 49 2HB PHE 49 3.274 4.234 10.585 360 HD1 PHE 49 HD1 PHE 49 6.803 3.422 9.853 361 HD2 PHE 49 HD2 PHE 49 2.874 3.875 8.263 362 HE1 PHE 49 HE1 PHE 49 7.519 2.320 7.774 363 HE2 PHE 49 HE2 PHE 49 3.591 2.776 6.183 364 HZ PHE 49 HZ PHE 49 5.914 1.996 5.937 365 H ASP 50 H ASP 50 6.262 6.435 8.647 366 HA ASP 50 HA ASP 50 8.486 7.395 10.068 367 1HB ASP 50 1HB ASP 50 8.500 4.985 10.877 368 2HB ASP 50 2HB ASP 50 8.881 4.510 9.227 369 H ILE 51 H ILE 51 8.249 5.022 7.403 370 HA ILE 51 HA ILE 51 9.099 7.097 5.509 371 HB ILE 51 HB ILE 51 10.771 5.736 4.457 372 1HG1 ILE 51 1HG1 ILE 51 9.728 3.515 4.812 373 2HG1 ILE 51 2HG1 ILE 51 11.440 3.520 5.206 374 1HG2 ILE 51 1HG2 ILE 51 12.481 5.566 6.211 375 2HG2 ILE 51 2HG2 ILE 51 11.228 5.769 7.436 376 3HG2 ILE 51 3HG2 ILE 51 11.571 7.074 6.299 377 1HD1 ILE 51 1HD1 ILE 51 10.831 3.682 7.606 378 2HD1 ILE 51 2HD1 ILE 51 10.265 2.211 6.820 379 3HD1 ILE 51 3HD1 ILE 51 9.136 3.523 7.143 380 H GLU 52 H GLU 52 9.102 6.021 3.199 381 HA GLU 52 HA GLU 52 6.597 4.492 2.950 382 1HB GLU 52 1HB GLU 52 6.850 5.495 0.475 383 2HB GLU 52 2HB GLU 52 6.025 6.347 1.768 384 1HG GLU 52 1HG GLU 52 7.439 7.875 0.593 385 2HG GLU 52 2HG GLU 52 8.079 7.628 2.212 386 H PHE 53 H PHE 53 6.501 3.196 0.865 387 HA PHE 53 HA PHE 53 8.444 1.181 1.018 388 1HB PHE 53 1HB PHE 53 6.366 1.753 -1.106 389 2HB PHE 53 2HB PHE 53 7.316 0.273 -1.026 390 HD1 PHE 53 HD2 PHE 53 7.148 -1.139 1.092 391 HD2 PHE 53 HD1 PHE 53 4.372 1.945 0.128 392 HE1 PHE 53 HE2 PHE 53 5.513 -2.125 2.641 393 HE2 PHE 53 HE1 PHE 53 2.737 0.962 1.678 394 HZ PHE 53 HZ PHE 53 3.307 -1.077 2.934 395 HA PRO 54 HA PRO 54 11.607 3.149 -1.417 396 1HB PRO 54 1HB PRO 54 13.396 1.115 -1.417 397 2HB PRO 54 2HB PRO 54 13.078 2.099 0.018 398 1HG PRO 54 1HG PRO 54 11.967 -0.595 -0.705 399 2HG PRO 54 2HG PRO 54 12.647 -0.048 0.843 400 1HD PRO 54 1HD PRO 54 9.987 -0.149 0.413 401 2HD PRO 54 2HD PRO 54 10.724 1.111 1.421 402 H ASP 55 H ASP 55 12.662 2.959 -3.422 403 HA ASP 55 HA ASP 55 11.088 2.077 -5.545 404 1HB ASP 55 1HB ASP 55 12.988 2.649 -6.975 405 2HB ASP 55 2HB ASP 55 12.781 3.869 -5.723 406 H ASN 56 H ASN 56 13.395 0.362 -3.652 407 HA ASN 56 HA ASN 56 14.237 -1.590 -5.487 408 1HB ASN 56 1HB ASN 56 15.357 -1.222 -3.332 409 2HB ASN 56 2HB ASN 56 13.935 -1.811 -2.477 410 1HD2 ASN 56 1HD2 ASN 56 13.544 -4.004 -2.379 411 2HD2 ASN 56 2HD2 ASN 56 14.692 -5.186 -2.899 412 H LEU 57 H LEU 57 11.400 -1.456 -3.370 413 HA LEU 57 HA LEU 57 10.485 -4.006 -4.538 414 1HB LEU 57 1HB LEU 57 9.052 -4.271 -2.583 415 2HB LEU 57 2HB LEU 57 10.732 -4.096 -2.122 416 HG LEU 57 HG LEU 57 10.117 -1.589 -1.708 417 1HD1 LEU 57 1HD1 LEU 57 7.911 -1.587 -2.699 418 2HD1 LEU 57 2HD1 LEU 57 7.780 -1.278 -0.970 419 3HD1 LEU 57 3HD1 LEU 57 7.382 -2.871 -1.612 420 1HD2 LEU 57 1HD2 LEU 57 9.466 -2.105 0.592 421 2HD2 LEU 57 2HD2 LEU 57 10.769 -3.160 0.046 422 3HD2 LEU 57 3HD2 LEU 57 9.116 -3.770 0.128 423 H LEU 58 H LEU 58 10.023 -0.705 -4.656 424 HA LEU 58 HA LEU 58 7.279 -0.316 -4.792 425 1HB LEU 58 1HB LEU 58 9.355 1.323 -4.958 426 2HB LEU 58 2HB LEU 58 9.100 1.142 -6.680 427 HG LEU 58 HG LEU 58 8.048 3.176 -5.818 428 1HD1 LEU 58 1HD1 LEU 58 5.984 1.143 -6.661 429 2HD1 LEU 58 2HD1 LEU 58 7.009 2.089 -7.742 430 3HD1 LEU 58 3HD1 LEU 58 5.811 2.897 -6.732 431 1HD2 LEU 58 1HD2 LEU 58 6.154 3.072 -4.278 432 2HD2 LEU 58 2HD2 LEU 58 7.625 2.442 -3.537 433 3HD2 LEU 58 3HD2 LEU 58 6.381 1.331 -4.110 434 H ASN 59 H ASN 59 9.520 -1.485 -7.231 435 HA ASN 59 HA ASN 59 7.336 -1.740 -9.190 436 1HB ASN 59 1HB ASN 59 9.431 -0.498 -9.832 437 2HB ASN 59 2HB ASN 59 10.330 -1.998 -9.629 438 1HD2 ASN 59 1HD2 ASN 59 10.981 -2.063 -11.762 439 2HD2 ASN 59 2HD2 ASN 59 9.896 -2.410 -13.061 440 H ARG 60 H ARG 60 7.549 -3.548 -6.933 441 HA ARG 60 HA ARG 60 8.312 -6.045 -8.315 442 1HB ARG 60 1HB ARG 60 9.814 -5.258 -6.374 443 2HB ARG 60 2HB ARG 60 8.475 -5.691 -5.323 444 1HG ARG 60 1HG ARG 60 9.831 -7.576 -5.272 445 2HG ARG 60 2HG ARG 60 8.593 -8.003 -6.453 446 1HD ARG 60 1HD ARG 60 11.384 -7.013 -7.057 447 2HD ARG 60 2HD ARG 60 10.804 -8.664 -7.240 448 HE ARG 60 HE ARG 60 9.135 -7.290 -8.853 449 1HH1 ARG 60 1HH1 ARG 60 12.621 -7.427 -8.586 450 2HH1 ARG 60 2HH1 ARG 60 12.896 -6.968 -10.237 451 1HH2 ARG 60 1HH2 ARG 60 9.494 -6.710 -11.042 452 2HH2 ARG 60 2HH2 ARG 60 11.123 -6.572 -11.632 453 H LYS 61 H LYS 61 7.260 -7.986 -7.432 454 HA LYS 61 HA LYS 61 4.464 -7.849 -7.545 455 1HB LYS 61 1HB LYS 61 4.524 -10.248 -7.021 456 2HB LYS 61 2HB LYS 61 5.724 -9.822 -8.235 457 1HG LYS 61 1HG LYS 61 7.480 -9.862 -6.540 458 2HG LYS 61 2HG LYS 61 6.286 -10.243 -5.297 459 1HD LYS 61 1HD LYS 61 5.773 -12.354 -6.421 460 2HD LYS 61 2HD LYS 61 6.928 -11.966 -7.698 461 1HE LYS 61 1HE LYS 61 8.742 -11.960 -6.039 462 2HE LYS 61 2HE LYS 61 7.580 -12.373 -4.778 463 1HZ LYS 61 1HZ LYS 61 8.144 -14.048 -7.162 464 2HZ LYS 61 2HZ LYS 61 7.147 -14.457 -5.854 465 3HZ LYS 61 3HZ LYS 61 8.815 -14.295 -5.630 466 H SER 62 H SER 62 6.398 -7.076 -4.926 467 HA SER 62 HA SER 62 5.256 -8.160 -2.696 468 1HB SER 62 1HB SER 62 6.073 -5.260 -3.022 469 2HB SER 62 2HB SER 62 6.006 -6.170 -1.511 470 HG SER 62 HG SER 62 7.807 -7.186 -2.013 471 H PHE 63 H PHE 63 3.887 -5.718 -4.807 472 HA PHE 63 HA PHE 63 1.799 -4.885 -3.031 473 1HB PHE 63 1HB PHE 63 2.186 -4.514 -6.008 474 2HB PHE 63 2HB PHE 63 0.872 -3.782 -5.094 475 HD1 PHE 63 HD2 PHE 63 4.574 -3.939 -5.354 476 HD2 PHE 63 HD1 PHE 63 1.189 -1.759 -3.955 477 HE1 PHE 63 HE2 PHE 63 6.030 -2.043 -4.782 478 HE2 PHE 63 HE1 PHE 63 2.645 0.136 -3.385 479 HZ PHE 63 HZ PHE 63 5.070 -0.003 -3.798 480 H ALA 64 H ALA 64 2.186 -7.791 -4.453 481 HA ALA 64 HA ALA 64 -0.516 -8.247 -5.369 482 1HB ALA 64 1HB ALA 64 0.200 -10.560 -5.709 483 2HB ALA 64 2HB ALA 64 1.721 -10.221 -4.880 484 3HB ALA 64 3HB ALA 64 1.358 -9.432 -6.415 485 H SER 65 H SER 65 1.169 -8.335 -2.406 486 HA SER 65 HA SER 65 -1.237 -9.224 -1.018 487 1HB SER 65 1HB SER 65 1.423 -10.648 -0.648 488 2HB SER 65 2HB SER 65 -0.025 -10.919 0.321 489 HG SER 65 HG SER 65 -0.775 -11.193 -2.175 490 H ILE 66 H ILE 66 -1.558 -7.751 0.557 491 HA ILE 66 HA ILE 66 0.361 -5.781 1.159 492 HB ILE 66 HB ILE 66 -2.162 -6.462 2.684 493 1HG1 ILE 66 1HG1 ILE 66 -1.580 -4.437 0.500 494 2HG1 ILE 66 2HG1 ILE 66 -2.619 -5.850 0.374 495 1HG2 ILE 66 1HG2 ILE 66 -1.991 -4.191 3.619 496 2HG2 ILE 66 2HG2 ILE 66 -0.438 -3.979 2.810 497 3HG2 ILE 66 3HG2 ILE 66 -0.611 -5.187 4.083 498 1HD1 ILE 66 1HD1 ILE 66 -3.113 -3.426 2.085 499 2HD1 ILE 66 2HD1 ILE 66 -4.151 -4.848 2.003 500 3HD1 ILE 66 3HD1 ILE 66 -3.930 -3.835 0.578 501 H LYS 67 H LYS 67 -0.799 -8.527 3.158 502 HA LYS 67 HA LYS 67 0.837 -8.120 5.353 503 1HB LYS 67 1HB LYS 67 0.624 -10.483 5.874 504 2HB LYS 67 2HB LYS 67 -0.913 -9.844 5.320 505 1HG LYS 67 1HG LYS 67 0.882 -11.208 3.355 506 2HG LYS 67 2HG LYS 67 -0.041 -12.179 4.503 507 1HD LYS 67 1HD LYS 67 -2.113 -11.063 3.714 508 2HD LYS 67 2HD LYS 67 -1.166 -10.202 2.503 509 1HE LYS 67 1HE LYS 67 -2.231 -12.140 1.503 510 2HE LYS 67 2HE LYS 67 -0.484 -12.366 1.529 511 1HZ LYS 67 1HZ LYS 67 -1.625 -14.373 2.194 512 2HZ LYS 67 2HZ LYS 67 -2.422 -13.558 3.443 513 3HZ LYS 67 3HZ LYS 67 -0.743 -13.760 3.499 514 H ALA 68 H ALA 68 1.710 -9.266 2.198 515 HA ALA 68 HA ALA 68 4.238 -10.383 3.010 516 1HB ALA 68 1HB ALA 68 3.037 -11.278 1.069 517 2HB ALA 68 2HB ALA 68 4.642 -10.694 0.624 518 3HB ALA 68 3HB ALA 68 3.216 -9.729 0.244 519 H ILE 69 H ILE 69 3.151 -7.415 1.374 520 HA ILE 69 HA ILE 69 5.799 -6.448 0.932 521 HB ILE 69 HB ILE 69 3.896 -5.776 -0.497 522 1HG1 ILE 69 1HG1 ILE 69 5.255 -3.448 0.895 523 2HG1 ILE 69 2HG1 ILE 69 5.945 -4.398 -0.417 524 1HG2 ILE 69 1HG2 ILE 69 2.300 -4.087 0.259 525 2HG2 ILE 69 2HG2 ILE 69 2.996 -4.144 1.879 526 3HG2 ILE 69 3HG2 ILE 69 2.178 -5.560 1.222 527 1HD1 ILE 69 1HD1 ILE 69 3.490 -2.663 -0.589 528 2HD1 ILE 69 2HD1 ILE 69 4.166 -3.622 -1.907 529 3HD1 ILE 69 3HD1 ILE 69 5.089 -2.281 -1.226 530 H GLU 70 H GLU 70 3.385 -5.942 3.466 531 HA GLU 70 HA GLU 70 4.668 -3.720 4.660 532 1HB GLU 70 1HB GLU 70 3.201 -4.069 6.565 533 2HB GLU 70 2HB GLU 70 2.304 -4.239 5.068 534 1HG GLU 70 1HG GLU 70 1.460 -5.957 6.338 535 2HG GLU 70 2HG GLU 70 2.699 -6.779 5.392 536 H ASP 71 H ASP 71 5.114 -7.161 4.932 537 HA ASP 71 HA ASP 71 6.727 -7.124 7.262 538 1HB ASP 71 1HB ASP 71 5.611 -9.166 6.256 539 2HB ASP 71 2HB ASP 71 6.881 -9.165 5.038 540 H THR 72 H THR 72 7.338 -6.586 3.881 541 HA THR 72 HA THR 72 10.186 -6.750 4.052 542 HB THR 72 HB THR 72 8.544 -5.384 1.905 543 HG1 THR 72 HG1 THR 72 9.392 -8.109 2.124 544 1HG2 THR 72 1HG2 THR 72 10.945 -4.882 1.805 545 2HG2 THR 72 2HG2 THR 72 10.472 -5.929 0.466 546 3HG2 THR 72 3HG2 THR 72 11.316 -6.606 1.859 547 H VAL 73 H VAL 73 7.822 -4.079 4.161 548 HA VAL 73 HA VAL 73 9.803 -2.033 4.249 549 HB VAL 73 HB VAL 73 7.486 -1.514 3.610 550 1HG1 VAL 73 1HG1 VAL 73 5.726 -1.302 5.310 551 2HG1 VAL 73 2HG1 VAL 73 6.810 -2.015 6.505 552 3HG1 VAL 73 3HG1 VAL 73 6.275 -2.967 5.122 553 1HG2 VAL 73 1HG2 VAL 73 8.897 0.304 4.385 554 2HG2 VAL 73 2HG2 VAL 73 8.430 -0.009 6.057 555 3HG2 VAL 73 3HG2 VAL 73 7.232 0.572 4.900 556 H LYS 74 H LYS 74 8.289 -4.050 6.685 557 HA LYS 74 HA LYS 74 9.165 -2.780 9.016 558 1HB LYS 74 1HB LYS 74 8.742 -5.688 8.333 559 2HB LYS 74 2HB LYS 74 9.276 -5.193 9.933 560 1HG LYS 74 1HG LYS 74 7.254 -4.011 10.341 561 2HG LYS 74 2HG LYS 74 6.753 -4.154 8.655 562 1HD LYS 74 1HD LYS 74 5.570 -5.731 10.172 563 2HD LYS 74 2HD LYS 74 6.459 -6.534 8.885 564 1HE LYS 74 1HE LYS 74 8.354 -6.796 10.586 565 2HE LYS 74 2HE LYS 74 7.160 -6.340 11.802 566 1HZ LYS 74 1HZ LYS 74 6.999 -8.668 9.962 567 2HZ LYS 74 2HZ LYS 74 5.785 -8.211 11.044 568 3HZ LYS 74 3HZ LYS 74 7.284 -8.722 11.632 569 H LEU 75 H LEU 75 10.888 -4.802 6.721 570 HA LEU 75 HA LEU 75 13.201 -5.321 8.219 571 1HB LEU 75 1HB LEU 75 12.990 -4.969 5.223 572 2HB LEU 75 2HB LEU 75 14.297 -5.768 6.076 573 HG LEU 75 HG LEU 75 11.434 -6.720 5.879 574 1HD1 LEU 75 1HD1 LEU 75 13.998 -7.873 4.779 575 2HD1 LEU 75 2HD1 LEU 75 12.730 -7.076 3.848 576 3HD1 LEU 75 3HD1 LEU 75 12.398 -8.605 4.658 577 1HD2 LEU 75 1HD2 LEU 75 12.194 -8.710 7.111 578 2HD2 LEU 75 2HD2 LEU 75 12.303 -7.245 8.086 579 3HD2 LEU 75 3HD2 LEU 75 13.760 -7.940 7.373 580 H ILE 76 H ILE 76 12.170 -2.499 6.451 581 HA ILE 76 HA ILE 76 14.653 -1.131 6.339 582 HB ILE 76 HB ILE 76 11.877 0.083 6.493 583 1HG1 ILE 76 1HG1 ILE 76 13.476 -0.720 4.042 584 2HG1 ILE 76 2HG1 ILE 76 12.073 -1.581 4.665 585 1HG2 ILE 76 1HG2 ILE 76 14.461 1.209 5.401 586 2HG2 ILE 76 2HG2 ILE 76 13.655 1.706 6.889 587 3HG2 ILE 76 3HG2 ILE 76 12.884 1.996 5.330 588 1HD1 ILE 76 1HD1 ILE 76 11.445 -0.219 2.792 589 2HD1 ILE 76 2HD1 ILE 76 12.120 1.217 3.562 590 3HD1 ILE 76 3HD1 ILE 76 10.706 0.423 4.258 591 H LEU 77 H LEU 77 12.154 -1.440 8.779 592 HA LEU 77 HA LEU 77 13.282 0.516 10.563 593 1HB LEU 77 1HB LEU 77 11.170 -1.616 10.951 594 2HB LEU 77 2HB LEU 77 11.697 -0.554 12.242 595 HG LEU 77 HG LEU 77 9.630 0.283 11.343 596 1HD1 LEU 77 1HD1 LEU 77 11.260 1.954 12.032 597 2HD1 LEU 77 2HD1 LEU 77 10.276 2.544 10.694 598 3HD1 LEU 77 3HD1 LEU 77 11.926 1.997 10.399 599 1HD2 LEU 77 1HD2 LEU 77 9.709 -0.760 9.137 600 2HD2 LEU 77 2HD2 LEU 77 10.982 0.356 8.644 601 3HD2 LEU 77 3HD2 LEU 77 9.368 0.966 9.015 602 H ASP 78 H ASP 78 13.561 -2.941 10.060 603 HA ASP 78 HA ASP 78 15.067 -3.567 12.368 604 1HB ASP 78 1HB ASP 78 14.162 -5.345 10.972 605 2HB ASP 78 2HB ASP 78 15.115 -4.801 9.598 606 H GLY 79 H GLY 79 16.022 -2.585 9.102 607 1HA GLY 79 1HA GLY 79 18.775 -2.107 10.037 608 2HA GLY 79 2HA GLY 79 18.273 -2.273 8.360 609 H LYS 80 H LYS 80 17.596 -0.221 11.181 610 HA LYS 80 HA LYS 80 16.755 2.027 9.693 611 1HB LYS 80 1HB LYS 80 17.743 1.685 12.523 612 2HB LYS 80 2HB LYS 80 17.276 3.256 11.892 613 1HG LYS 80 1HG LYS 80 15.333 1.018 11.623 614 2HG LYS 80 2HG LYS 80 15.593 1.707 13.225 615 1HD LYS 80 1HD LYS 80 13.739 2.822 12.165 616 2HD LYS 80 2HD LYS 80 15.079 3.949 12.315 617 1HE LYS 80 1HE LYS 80 15.654 3.439 9.925 618 2HE LYS 80 2HE LYS 80 14.163 2.506 9.826 619 1HZ LYS 80 1HZ LYS 80 14.316 5.384 10.530 620 2HZ LYS 80 2HZ LYS 80 12.901 4.482 10.292 621 3HZ LYS 80 3HZ LYS 80 13.940 4.788 8.993 622 H GLU 81 H GLU 81 19.723 1.645 11.594 623 HA GLU 81 HA GLU 81 21.023 3.852 10.348 624 1HB GLU 81 1HB GLU 81 21.488 2.949 12.672 625 2HB GLU 81 2HB GLU 81 22.344 1.618 11.906 626 1HG GLU 81 1HG GLU 81 23.935 3.258 12.622 627 2HG GLU 81 2HG GLU 81 23.878 3.260 10.859 628 H ALA 82 H ALA 82 20.925 0.406 9.760 629 HA ALA 82 HA ALA 82 23.066 0.493 7.796 630 1HB ALA 82 1HB ALA 82 22.623 -1.895 7.509 631 2HB ALA 82 2HB ALA 82 21.196 -1.765 8.538 632 3HB ALA 82 3HB ALA 82 22.801 -1.489 9.215 633 H ALA 83 H ALA 83 22.149 2.048 6.370 634 HA ALA 83 HA ALA 83 20.021 0.969 4.631 635 1HB ALA 83 1HB ALA 83 20.330 3.861 5.476 636 2HB ALA 83 2HB ALA 83 19.084 2.748 6.043 637 3HB ALA 83 3HB ALA 83 19.126 3.232 4.348 Start of MODEL 15 1 HA MET 1 HA MET 1 1.796 0.622 9.361 2 1HB MET 1 1HB MET 1 3.195 -1.718 10.613 3 2HB MET 1 2HB MET 1 3.531 -1.312 8.934 4 1HG MET 1 1HG MET 1 4.422 0.783 9.497 5 2HG MET 1 2HG MET 1 3.720 0.741 11.111 6 1HE MET 1 1HE MET 1 6.452 -0.747 8.729 7 2HE MET 1 2HE MET 1 5.606 -2.196 9.275 8 3HE MET 1 3HE MET 1 7.265 -1.895 9.789 9 H ASN 2 H ASN 2 1.252 -2.922 9.752 10 HA ASN 2 HA ASN 2 0.859 -3.411 7.047 11 1HB ASN 2 1HB ASN 2 -0.098 -5.548 7.662 12 2HB ASN 2 2HB ASN 2 1.239 -5.182 8.743 13 1HD2 ASN 2 1HD2 ASN 2 -0.964 -7.017 9.127 14 2HD2 ASN 2 2HD2 ASN 2 -1.784 -6.502 10.559 15 H ALA 3 H ALA 3 -1.609 -2.702 9.512 16 HA ALA 3 HA ALA 3 -3.776 -2.771 7.618 17 1HB ALA 3 1HB ALA 3 -4.215 -3.309 9.944 18 2HB ALA 3 2HB ALA 3 -5.128 -1.869 9.490 19 3HB ALA 3 3HB ALA 3 -3.656 -1.714 10.450 20 H THR 4 H THR 4 -1.754 -0.335 9.125 21 HA THR 4 HA THR 4 -2.989 2.023 8.357 22 HB THR 4 HB THR 4 0.002 1.534 8.354 23 HG1 THR 4 HG1 THR 4 -1.535 2.344 10.602 24 1HG2 THR 4 1HG2 THR 4 0.135 3.878 9.079 25 2HG2 THR 4 2HG2 THR 4 -1.618 4.017 8.948 26 3HG2 THR 4 3HG2 THR 4 -0.646 3.727 7.505 27 H ILE 5 H ILE 5 -0.785 -0.044 6.567 28 HA ILE 5 HA ILE 5 -0.351 1.630 4.353 29 HB ILE 5 HB ILE 5 -0.066 -1.370 4.633 30 1HG1 ILE 5 1HG1 ILE 5 2.099 0.748 4.589 31 2HG1 ILE 5 2HG1 ILE 5 1.321 0.232 6.081 32 1HG2 ILE 5 1HG2 ILE 5 -0.307 -0.798 2.270 33 2HG2 ILE 5 2HG2 ILE 5 1.351 -1.280 2.623 34 3HG2 ILE 5 3HG2 ILE 5 0.955 0.427 2.421 35 1HD1 ILE 5 1HD1 ILE 5 2.924 -1.498 4.211 36 2HD1 ILE 5 2HD1 ILE 5 2.090 -2.060 5.662 37 3HD1 ILE 5 3HD1 ILE 5 3.416 -0.906 5.801 38 H ARG 6 H ARG 6 -2.666 -1.072 4.810 39 HA ARG 6 HA ARG 6 -3.797 -0.723 2.195 40 1HB ARG 6 1HB ARG 6 -5.460 -2.326 2.820 41 2HB ARG 6 2HB ARG 6 -3.936 -2.872 3.503 42 1HG ARG 6 1HG ARG 6 -4.579 -2.197 5.693 43 2HG ARG 6 2HG ARG 6 -5.988 -1.331 5.080 44 1HD ARG 6 1HD ARG 6 -5.551 -4.319 5.023 45 2HD ARG 6 2HD ARG 6 -6.669 -3.444 6.071 46 HE ARG 6 HE ARG 6 -7.057 -4.153 3.307 47 1HH1 ARG 6 1HH1 ARG 6 -8.041 -1.971 5.862 48 2HH1 ARG 6 2HH1 ARG 6 -9.572 -1.602 5.134 49 1HH2 ARG 6 1HH2 ARG 6 -9.087 -3.673 2.344 50 2HH2 ARG 6 2HH2 ARG 6 -10.161 -2.570 3.138 51 H GLU 7 H GLU 7 -4.339 0.605 5.345 52 HA GLU 7 HA GLU 7 -6.941 1.623 5.035 53 1HB GLU 7 1HB GLU 7 -5.889 1.413 7.218 54 2HB GLU 7 2HB GLU 7 -4.630 2.551 6.760 55 1HG GLU 7 1HG GLU 7 -6.393 4.306 6.545 56 2HG GLU 7 2HG GLU 7 -7.553 3.146 7.191 57 H ILE 8 H ILE 8 -3.750 2.985 4.278 58 HA ILE 8 HA ILE 8 -4.614 5.627 3.924 59 HB ILE 8 HB ILE 8 -2.212 4.948 4.171 60 1HG1 ILE 8 1HG1 ILE 8 -2.862 6.721 1.799 61 2HG1 ILE 8 2HG1 ILE 8 -2.959 7.219 3.482 62 1HG2 ILE 8 1HG2 ILE 8 -0.955 4.371 2.139 63 2HG2 ILE 8 2HG2 ILE 8 -2.466 4.270 1.235 64 3HG2 ILE 8 3HG2 ILE 8 -2.144 3.136 2.545 65 1HD1 ILE 8 1HD1 ILE 8 -0.565 6.884 3.722 66 2HD1 ILE 8 2HD1 ILE 8 -0.940 8.026 2.433 67 3HD1 ILE 8 3HD1 ILE 8 -0.468 6.375 2.038 68 H LEU 9 H LEU 9 -4.671 2.892 1.736 69 HA LEU 9 HA LEU 9 -5.014 4.202 -0.700 70 1HB LEU 9 1HB LEU 9 -6.011 1.558 0.331 71 2HB LEU 9 2HB LEU 9 -6.483 2.121 -1.259 72 HG LEU 9 HG LEU 9 -4.611 0.579 -1.422 73 1HD1 LEU 9 1HD1 LEU 9 -3.080 1.951 -2.733 74 2HD1 LEU 9 2HD1 LEU 9 -3.774 3.413 -2.034 75 3HD1 LEU 9 3HD1 LEU 9 -4.759 2.376 -3.067 76 1HD2 LEU 9 1HD2 LEU 9 -3.621 0.947 0.783 77 2HD2 LEU 9 2HD2 LEU 9 -3.085 2.552 0.280 78 3HD2 LEU 9 3HD2 LEU 9 -2.419 1.114 -0.497 79 H ALA 10 H ALA 10 -7.212 3.869 1.966 80 HA ALA 10 HA ALA 10 -9.584 4.543 0.493 81 1HB ALA 10 1HB ALA 10 -9.689 3.210 2.543 82 2HB ALA 10 2HB ALA 10 -10.652 4.681 2.688 83 3HB ALA 10 3HB ALA 10 -9.075 4.580 3.470 84 H LYS 11 H LYS 11 -7.149 6.335 2.288 85 HA LYS 11 HA LYS 11 -8.798 8.769 2.164 86 1HB LYS 11 1HB LYS 11 -7.171 9.646 3.876 87 2HB LYS 11 2HB LYS 11 -8.139 8.273 4.393 88 1HG LYS 11 1HG LYS 11 -6.218 6.784 3.892 89 2HG LYS 11 2HG LYS 11 -5.254 8.212 3.515 90 1HD LYS 11 1HD LYS 11 -6.564 7.636 6.180 91 2HD LYS 11 2HD LYS 11 -4.859 7.383 5.808 92 1HE LYS 11 1HE LYS 11 -4.631 9.802 5.346 93 2HE LYS 11 2HE LYS 11 -6.322 10.027 5.794 94 1HZ LYS 11 1HZ LYS 11 -5.830 9.304 8.017 95 2HZ LYS 11 2HZ LYS 11 -4.765 10.554 7.602 96 3HZ LYS 11 3HZ LYS 11 -4.226 8.949 7.603 97 H PHE 12 H PHE 12 -5.964 7.396 0.782 98 HA PHE 12 HA PHE 12 -5.351 9.972 -0.508 99 1HB PHE 12 1HB PHE 12 -3.447 8.027 0.757 100 2HB PHE 12 2HB PHE 12 -2.912 9.006 -0.599 101 HD1 PHE 12 HD1 PHE 12 -2.822 11.465 -0.396 102 HD2 PHE 12 HD2 PHE 12 -3.755 8.979 2.935 103 HE1 PHE 12 HE1 PHE 12 -2.335 13.330 1.129 104 HE2 PHE 12 HE2 PHE 12 -3.271 10.844 4.462 105 HZ PHE 12 HZ PHE 12 -2.560 13.021 3.563 106 H GLY 13 H GLY 13 -5.387 6.465 -0.740 107 1HA GLY 13 1HA GLY 13 -4.296 6.240 -3.334 108 2HA GLY 13 2HA GLY 13 -5.296 5.037 -2.534 109 H GLN 14 H GLN 14 -5.108 6.884 -5.212 110 HA GLN 14 HA GLN 14 -7.860 7.698 -5.450 111 1HB GLN 14 1HB GLN 14 -6.014 8.962 -6.524 112 2HB GLN 14 2HB GLN 14 -5.687 7.581 -7.562 113 1HG GLN 14 1HG GLN 14 -6.985 9.360 -8.679 114 2HG GLN 14 2HG GLN 14 -7.822 7.809 -8.643 115 1HE2 GLN 14 1HE2 GLN 14 -7.725 11.044 -7.344 116 2HE2 GLN 14 2HE2 GLN 14 -9.319 11.035 -6.679 117 H LEU 15 H LEU 15 -8.369 5.340 -4.847 118 HA LEU 15 HA LEU 15 -8.486 3.570 -7.172 119 1HB LEU 15 1HB LEU 15 -7.806 2.754 -4.878 120 2HB LEU 15 2HB LEU 15 -9.445 3.071 -4.344 121 HG LEU 15 HG LEU 15 -10.257 1.418 -6.051 122 1HD1 LEU 15 1HD1 LEU 15 -8.646 -0.134 -7.027 123 2HD1 LEU 15 2HD1 LEU 15 -7.317 0.806 -6.345 124 3HD1 LEU 15 3HD1 LEU 15 -8.359 1.517 -7.577 125 1HD2 LEU 15 1HD2 LEU 15 -8.297 0.372 -4.004 126 2HD2 LEU 15 2HD2 LEU 15 -9.566 -0.566 -4.792 127 3HD2 LEU 15 3HD2 LEU 15 -9.993 0.767 -3.719 128 HA PRO 16 HA PRO 16 -12.653 5.070 -7.897 129 1HB PRO 16 1HB PRO 16 -13.299 3.474 -9.969 130 2HB PRO 16 2HB PRO 16 -12.114 4.778 -10.135 131 1HG PRO 16 1HG PRO 16 -11.667 1.837 -9.781 132 2HG PRO 16 2HG PRO 16 -10.822 2.979 -10.843 133 1HD PRO 16 1HD PRO 16 -9.860 2.121 -8.408 134 2HD PRO 16 2HD PRO 16 -9.407 3.661 -9.170 135 H THR 17 H THR 17 -11.827 2.277 -6.430 136 HA THR 17 HA THR 17 -14.589 1.339 -6.124 137 HB THR 17 HB THR 17 -12.062 -0.184 -6.706 138 HG1 THR 17 HG1 THR 17 -14.659 -0.032 -7.818 139 1HG2 THR 17 1HG2 THR 17 -14.569 -1.383 -5.535 140 2HG2 THR 17 2HG2 THR 17 -13.001 -1.260 -4.738 141 3HG2 THR 17 3HG2 THR 17 -13.185 -2.281 -6.163 142 HA PRO 18 HA PRO 18 -13.843 1.946 -1.794 143 1HB PRO 18 1HB PRO 18 -15.381 -0.135 -0.780 144 2HB PRO 18 2HB PRO 18 -16.004 1.447 -1.256 145 1HG PRO 18 1HG PRO 18 -16.014 -1.129 -2.771 146 2HG PRO 18 2HG PRO 18 -17.262 0.127 -2.681 147 1HD PRO 18 1HD PRO 18 -15.642 -0.114 -4.818 148 2HD PRO 18 2HD PRO 18 -16.197 1.471 -4.250 149 H VAL 19 H VAL 19 -12.018 1.457 -0.804 150 HA VAL 19 HA VAL 19 -10.423 -0.791 -1.334 151 HB VAL 19 HB VAL 19 -10.308 1.029 1.091 152 1HG1 VAL 19 1HG1 VAL 19 -8.172 -0.714 -0.155 153 2HG1 VAL 19 2HG1 VAL 19 -8.960 -0.978 1.400 154 3HG1 VAL 19 3HG1 VAL 19 -7.920 0.427 1.168 155 1HG2 VAL 19 1HG2 VAL 19 -10.262 2.319 -0.974 156 2HG2 VAL 19 2HG2 VAL 19 -8.965 1.302 -1.604 157 3HG2 VAL 19 3HG2 VAL 19 -8.675 2.335 -0.204 158 H ASP 20 H ASP 20 -13.076 -0.368 0.756 159 HA ASP 20 HA ASP 20 -12.655 -2.190 2.797 160 1HB ASP 20 1HB ASP 20 -14.577 -0.730 2.798 161 2HB ASP 20 2HB ASP 20 -15.199 -1.466 1.325 162 H THR 21 H THR 21 -13.400 -2.803 -0.580 163 HA THR 21 HA THR 21 -14.210 -5.538 -0.090 164 HB THR 21 HB THR 21 -15.214 -4.180 -1.931 165 HG1 THR 21 HG1 THR 21 -14.015 -6.327 -3.255 166 1HG2 THR 21 1HG2 THR 21 -13.181 -3.051 -2.732 167 2HG2 THR 21 2HG2 THR 21 -13.987 -3.922 -4.036 168 3HG2 THR 21 3HG2 THR 21 -12.540 -4.597 -3.286 169 H ILE 22 H ILE 22 -11.266 -3.871 -0.889 170 HA ILE 22 HA ILE 22 -9.954 -6.405 -1.597 171 HB ILE 22 HB ILE 22 -8.024 -5.040 -2.309 172 1HG1 ILE 22 1HG1 ILE 22 -9.821 -2.662 -1.748 173 2HG1 ILE 22 2HG1 ILE 22 -8.404 -3.104 -0.803 174 1HG2 ILE 22 1HG2 ILE 22 -9.042 -4.123 -4.339 175 2HG2 ILE 22 2HG2 ILE 22 -10.636 -4.232 -3.591 176 3HG2 ILE 22 3HG2 ILE 22 -9.721 -5.700 -3.934 177 1HD1 ILE 22 1HD1 ILE 22 -6.986 -2.714 -2.754 178 2HD1 ILE 22 2HD1 ILE 22 -7.915 -1.281 -2.316 179 3HD1 ILE 22 3HD1 ILE 22 -8.410 -2.264 -3.694 180 H ALA 23 H ALA 23 -7.595 -6.499 -0.791 181 HA ALA 23 HA ALA 23 -7.001 -5.524 1.800 182 1HB ALA 23 1HB ALA 23 -8.851 -6.979 2.465 183 2HB ALA 23 2HB ALA 23 -7.320 -7.614 3.067 184 3HB ALA 23 3HB ALA 23 -8.085 -8.345 1.654 185 H ASP 24 H ASP 24 -5.361 -7.350 2.806 186 HA ASP 24 HA ASP 24 -3.114 -7.308 1.117 187 1HB ASP 24 1HB ASP 24 -2.028 -8.688 2.838 188 2HB ASP 24 2HB ASP 24 -2.929 -7.362 3.562 189 H GLU 25 H GLU 25 -5.499 -9.788 1.784 190 HA GLU 25 HA GLU 25 -4.124 -11.781 0.176 191 1HB GLU 25 1HB GLU 25 -6.672 -11.792 1.791 192 2HB GLU 25 2HB GLU 25 -6.208 -13.150 0.774 193 1HG GLU 25 1HG GLU 25 -4.438 -12.044 2.944 194 2HG GLU 25 2HG GLU 25 -5.617 -13.328 3.218 195 H ALA 26 H ALA 26 -5.923 -9.184 -0.633 196 HA ALA 26 HA ALA 26 -7.288 -10.578 -2.853 197 1HB ALA 26 1HB ALA 26 -8.939 -8.783 -2.867 198 2HB ALA 26 2HB ALA 26 -8.103 -7.985 -1.537 199 3HB ALA 26 3HB ALA 26 -8.868 -9.549 -1.279 200 H ASP 27 H ASP 27 -7.055 -9.788 -4.900 201 HA ASP 27 HA ASP 27 -4.619 -8.472 -5.487 202 1HB ASP 27 1HB ASP 27 -6.970 -9.036 -7.323 203 2HB ASP 27 2HB ASP 27 -5.350 -8.586 -7.844 204 H LEU 28 H LEU 28 -4.431 -6.420 -4.806 205 HA LEU 28 HA LEU 28 -6.369 -4.467 -4.565 206 1HB LEU 28 1HB LEU 28 -3.479 -3.968 -5.307 207 2HB LEU 28 2HB LEU 28 -4.563 -2.845 -4.508 208 HG LEU 28 HG LEU 28 -3.495 -5.423 -3.335 209 1HD1 LEU 28 1HD1 LEU 28 -2.259 -3.962 -1.821 210 2HD1 LEU 28 2HD1 LEU 28 -2.883 -2.544 -2.666 211 3HD1 LEU 28 3HD1 LEU 28 -1.808 -3.667 -3.501 212 1HD2 LEU 28 1HD2 LEU 28 -5.749 -4.965 -2.525 213 2HD2 LEU 28 2HD2 LEU 28 -5.276 -3.320 -2.097 214 3HD2 LEU 28 3HD2 LEU 28 -4.559 -4.693 -1.251 215 H TYR 29 H TYR 29 -4.219 -5.060 -7.317 216 HA TYR 29 HA TYR 29 -5.090 -2.896 -8.884 217 1HB TYR 29 1HB TYR 29 -4.053 -4.243 -10.799 218 2HB TYR 29 2HB TYR 29 -3.002 -3.790 -9.465 219 HD1 TYR 29 HD2 TYR 29 -2.140 -5.468 -7.923 220 HD2 TYR 29 HD1 TYR 29 -4.647 -6.588 -11.182 221 HE1 TYR 29 HE2 TYR 29 -1.460 -7.809 -7.632 222 HE2 TYR 29 HE1 TYR 29 -3.970 -8.935 -10.897 223 HH TYR 29 HH TYR 29 -2.522 -10.113 -8.191 224 H ALA 30 H ALA 30 -6.543 -5.972 -8.298 225 HA ALA 30 HA ALA 30 -8.096 -6.169 -10.667 226 1HB ALA 30 1HB ALA 30 -7.729 -8.092 -9.197 227 2HB ALA 30 2HB ALA 30 -9.453 -7.788 -9.423 228 3HB ALA 30 3HB ALA 30 -8.661 -7.306 -7.921 229 H ALA 31 H ALA 31 -8.388 -4.290 -7.768 230 HA ALA 31 HA ALA 31 -11.159 -3.569 -8.200 231 1HB ALA 31 1HB ALA 31 -10.242 -3.669 -5.933 232 2HB ALA 31 2HB ALA 31 -10.832 -2.050 -6.309 233 3HB ALA 31 3HB ALA 31 -9.100 -2.386 -6.332 234 H GLY 32 H GLY 32 -8.280 -2.735 -9.625 235 1HA GLY 32 1HA GLY 32 -8.225 -1.297 -11.524 236 2HA GLY 32 2HA GLY 32 -9.496 -0.325 -10.797 237 H LEU 33 H LEU 33 -6.543 -1.455 -9.239 238 HA LEU 33 HA LEU 33 -5.936 1.171 -8.279 239 1HB LEU 33 1HB LEU 33 -5.445 -0.854 -6.964 240 2HB LEU 33 2HB LEU 33 -4.300 -1.373 -8.187 241 HG LEU 33 HG LEU 33 -2.920 0.649 -7.698 242 1HD1 LEU 33 1HD1 LEU 33 -4.851 1.030 -5.407 243 2HD1 LEU 33 2HD1 LEU 33 -4.686 2.086 -6.810 244 3HD1 LEU 33 3HD1 LEU 33 -3.355 1.929 -5.665 245 1HD2 LEU 33 1HD2 LEU 33 -2.380 -1.498 -6.674 246 2HD2 LEU 33 2HD2 LEU 33 -3.477 -1.152 -5.336 247 3HD2 LEU 33 3HD2 LEU 33 -2.028 -0.170 -5.567 248 H SER 34 H SER 34 -4.878 2.695 -9.360 249 HA SER 34 HA SER 34 -3.255 1.990 -11.687 250 1HB SER 34 1HB SER 34 -3.297 4.459 -12.112 251 2HB SER 34 2HB SER 34 -4.907 3.745 -12.034 252 HG SER 34 HG SER 34 -5.077 5.479 -10.748 253 H SER 35 H SER 35 -1.100 2.769 -11.914 254 HA SER 35 HA SER 35 0.545 2.598 -9.669 255 1HB SER 35 1HB SER 35 1.154 3.989 -12.298 256 2HB SER 35 2HB SER 35 2.337 3.379 -11.140 257 HG SER 35 HG SER 35 2.161 1.772 -12.590 258 H PHE 36 H PHE 36 -1.156 5.287 -11.065 259 HA PHE 36 HA PHE 36 0.169 7.409 -9.757 260 1HB PHE 36 1HB PHE 36 -2.740 7.231 -10.600 261 2HB PHE 36 2HB PHE 36 -1.860 8.712 -10.237 262 HD1 PHE 36 HD1 PHE 36 -0.005 9.442 -11.747 263 HD2 PHE 36 HD2 PHE 36 -2.594 6.205 -12.739 264 HE1 PHE 36 HE1 PHE 36 0.691 9.607 -14.101 265 HE2 PHE 36 HE2 PHE 36 -1.899 6.369 -15.092 266 HZ PHE 36 HZ PHE 36 -0.252 8.071 -15.776 267 H ALA 37 H ALA 37 -2.708 5.509 -8.900 268 HA ALA 37 HA ALA 37 -3.123 6.731 -6.370 269 1HB ALA 37 1HB ALA 37 -4.886 5.502 -7.574 270 2HB ALA 37 2HB ALA 37 -4.654 4.879 -5.941 271 3HB ALA 37 3HB ALA 37 -4.001 3.998 -7.324 272 H SER 38 H SER 38 -1.138 4.118 -7.519 273 HA SER 38 HA SER 38 -0.576 2.911 -5.016 274 1HB SER 38 1HB SER 38 -0.296 1.730 -7.170 275 2HB SER 38 2HB SER 38 1.016 2.825 -7.600 276 HG SER 38 HG SER 38 1.134 1.356 -5.203 277 H VAL 39 H VAL 39 1.321 5.167 -7.052 278 HA VAL 39 HA VAL 39 3.504 5.362 -5.290 279 HB VAL 39 HB VAL 39 3.648 6.077 -7.645 280 1HG1 VAL 39 1HG1 VAL 39 1.951 8.427 -6.793 281 2HG1 VAL 39 2HG1 VAL 39 1.469 7.134 -7.892 282 3HG1 VAL 39 3HG1 VAL 39 2.753 8.251 -8.356 283 1HG2 VAL 39 1HG2 VAL 39 5.317 6.894 -6.064 284 2HG2 VAL 39 2HG2 VAL 39 4.300 8.282 -5.680 285 3HG2 VAL 39 3HG2 VAL 39 4.984 8.111 -7.296 286 H GLN 40 H GLN 40 0.481 7.158 -5.486 287 HA GLN 40 HA GLN 40 1.173 9.228 -3.704 288 1HB GLN 40 1HB GLN 40 -0.744 9.426 -5.205 289 2HB GLN 40 2HB GLN 40 -1.546 8.084 -4.399 290 1HG GLN 40 1HG GLN 40 -2.503 10.196 -3.697 291 2HG GLN 40 2HG GLN 40 -1.706 9.398 -2.344 292 1HE2 GLN 40 1HE2 GLN 40 -0.036 11.138 -4.900 293 2HE2 GLN 40 2HE2 GLN 40 0.528 12.430 -3.907 294 H LEU 41 H LEU 41 -0.143 5.996 -3.188 295 HA LEU 41 HA LEU 41 -0.913 6.366 -0.500 296 1HB LEU 41 1HB LEU 41 -1.390 4.121 -0.445 297 2HB LEU 41 2HB LEU 41 -1.401 4.398 -2.171 298 HG LEU 41 HG LEU 41 1.135 3.610 -1.974 299 1HD1 LEU 41 1HD1 LEU 41 -0.175 2.232 0.373 300 2HD1 LEU 41 2HD1 LEU 41 1.133 3.411 0.463 301 3HD1 LEU 41 3HD1 LEU 41 1.408 1.848 -0.303 302 1HD2 LEU 41 1HD2 LEU 41 -0.582 2.533 -3.339 303 2HD2 LEU 41 2HD2 LEU 41 -1.209 1.705 -1.914 304 3HD2 LEU 41 3HD2 LEU 41 0.411 1.338 -2.507 305 H MET 42 H MET 42 2.169 5.794 -2.014 306 HA MET 42 HA MET 42 3.527 4.940 0.374 307 1HB MET 42 1HB MET 42 4.861 6.124 -2.065 308 2HB MET 42 2HB MET 42 5.516 4.961 -0.921 309 1HG MET 42 1HG MET 42 3.816 3.321 -1.762 310 2HG MET 42 2HG MET 42 3.423 4.494 -3.025 311 1HE MET 42 1HE MET 42 6.492 5.708 -3.387 312 2HE MET 42 2HE MET 42 5.350 5.468 -4.708 313 3HE MET 42 3HE MET 42 6.972 4.782 -4.808 314 H LEU 43 H LEU 43 3.156 7.881 -1.477 315 HA LEU 43 HA LEU 43 4.943 9.573 -0.238 316 1HB LEU 43 1HB LEU 43 3.487 9.941 -2.296 317 2HB LEU 43 2HB LEU 43 2.194 10.372 -1.196 318 HG LEU 43 HG LEU 43 3.603 12.232 -0.327 319 1HD1 LEU 43 1HD1 LEU 43 5.594 12.887 -1.598 320 2HD1 LEU 43 2HD1 LEU 43 5.444 11.428 -2.581 321 3HD1 LEU 43 3HD1 LEU 43 5.793 11.299 -0.858 322 1HD2 LEU 43 1HD2 LEU 43 3.103 12.229 -3.305 323 2HD2 LEU 43 2HD2 LEU 43 3.342 13.663 -2.304 324 3HD2 LEU 43 3HD2 LEU 43 1.930 12.636 -2.051 325 H GLY 44 H GLY 44 1.524 9.007 0.583 326 1HA GLY 44 1HA GLY 44 1.581 10.689 2.904 327 2HA GLY 44 2HA GLY 44 0.300 9.572 2.451 328 H ILE 45 H ILE 45 1.948 7.238 2.316 329 HA ILE 45 HA ILE 45 1.753 6.387 4.993 330 HB ILE 45 HB ILE 45 2.516 5.185 2.427 331 1HG1 ILE 45 1HG1 ILE 45 0.337 4.835 3.494 332 2HG1 ILE 45 2HG1 ILE 45 1.183 3.307 3.284 333 1HG2 ILE 45 1HG2 ILE 45 4.606 4.691 3.517 334 2HG2 ILE 45 2HG2 ILE 45 3.651 3.215 3.380 335 3HG2 ILE 45 3HG2 ILE 45 3.759 4.055 4.925 336 1HD1 ILE 45 1HD1 ILE 45 1.006 4.867 5.856 337 2HD1 ILE 45 2HD1 ILE 45 1.793 3.303 5.635 338 3HD1 ILE 45 3HD1 ILE 45 0.048 3.447 5.437 339 H GLU 46 H GLU 46 4.376 7.740 3.149 340 HA GLU 46 HA GLU 46 6.567 6.993 4.691 341 1HB GLU 46 1HB GLU 46 6.830 8.184 2.582 342 2HB GLU 46 2HB GLU 46 6.040 9.606 3.251 343 1HG GLU 46 1HG GLU 46 7.913 9.750 4.917 344 2HG GLU 46 2HG GLU 46 8.726 8.474 4.012 345 H GLU 47 H GLU 47 4.622 9.965 4.983 346 HA GLU 47 HA GLU 47 5.854 10.740 7.436 347 1HB GLU 47 1HB GLU 47 4.112 12.491 7.517 348 2HB GLU 47 2HB GLU 47 4.940 12.434 5.968 349 1HG GLU 47 1HG GLU 47 3.033 11.172 5.032 350 2HG GLU 47 2HG GLU 47 2.198 11.345 6.576 351 H ALA 48 H ALA 48 3.138 8.783 6.563 352 HA ALA 48 HA ALA 48 1.531 8.913 8.798 353 1HB ALA 48 1HB ALA 48 2.105 6.451 7.149 354 2HB ALA 48 2HB ALA 48 0.934 7.707 6.747 355 3HB ALA 48 3HB ALA 48 0.701 6.713 8.184 356 H PHE 49 H PHE 49 4.337 6.685 8.301 357 HA PHE 49 HA PHE 49 4.391 6.465 11.238 358 1HB PHE 49 1HB PHE 49 5.026 4.101 11.116 359 2HB PHE 49 2HB PHE 49 3.435 4.401 10.436 360 HD1 PHE 49 HD1 PHE 49 6.942 3.583 9.627 361 HD2 PHE 49 HD2 PHE 49 2.956 3.906 8.156 362 HE1 PHE 49 HE1 PHE 49 7.594 2.363 7.595 363 HE2 PHE 49 HE2 PHE 49 3.608 2.688 6.123 364 HZ PHE 49 HZ PHE 49 5.930 1.915 5.839 365 H ASP 50 H ASP 50 6.385 6.537 8.283 366 HA ASP 50 HA ASP 50 8.608 7.588 9.633 367 1HB ASP 50 1HB ASP 50 8.582 5.225 10.601 368 2HB ASP 50 2HB ASP 50 9.050 4.663 9.001 369 H ILE 51 H ILE 51 8.272 5.092 7.063 370 HA ILE 51 HA ILE 51 9.445 6.980 5.141 371 HB ILE 51 HB ILE 51 10.994 5.364 4.229 372 1HG1 ILE 51 1HG1 ILE 51 9.746 3.290 4.762 373 2HG1 ILE 51 2HG1 ILE 51 11.442 3.186 5.209 374 1HG2 ILE 51 1HG2 ILE 51 11.870 6.802 5.944 375 2HG2 ILE 51 2HG2 ILE 51 12.631 5.214 6.051 376 3HG2 ILE 51 3HG2 ILE 51 11.370 5.667 7.197 377 1HD1 ILE 51 1HD1 ILE 51 10.158 2.151 6.911 378 2HD1 ILE 51 2HD1 ILE 51 9.083 3.539 7.039 379 3HD1 ILE 51 3HD1 ILE 51 10.761 3.675 7.565 380 H GLU 52 H GLU 52 9.407 6.029 2.881 381 HA GLU 52 HA GLU 52 6.978 4.425 2.491 382 1HB GLU 52 1HB GLU 52 7.217 5.357 0.052 383 2HB GLU 52 2HB GLU 52 6.485 6.331 1.311 384 1HG GLU 52 1HG GLU 52 7.926 7.692 -0.028 385 2HG GLU 52 2HG GLU 52 8.598 7.546 1.592 386 H PHE 53 H PHE 53 7.088 3.169 0.347 387 HA PHE 53 HA PHE 53 8.946 1.115 0.845 388 1HB PHE 53 1HB PHE 53 7.133 1.520 -1.546 389 2HB PHE 53 2HB PHE 53 7.905 0.003 -1.085 390 HD1 PHE 53 HD1 PHE 53 7.405 -0.789 1.385 391 HD2 PHE 53 HD2 PHE 53 4.972 1.930 -0.817 392 HE1 PHE 53 HE1 PHE 53 5.504 -1.293 2.864 393 HE2 PHE 53 HE2 PHE 53 3.070 1.422 0.656 394 HZ PHE 53 HZ PHE 53 3.334 -0.188 2.500 395 HA PRO 54 HA PRO 54 12.335 2.978 -1.385 396 1HB PRO 54 1HB PRO 54 14.160 1.023 -0.946 397 2HB PRO 54 2HB PRO 54 13.640 2.129 0.334 398 1HG PRO 54 1HG PRO 54 12.671 -0.655 -0.260 399 2HG PRO 54 2HG PRO 54 13.161 0.036 1.300 400 1HD PRO 54 1HD PRO 54 10.573 -0.157 0.602 401 2HD PRO 54 2HD PRO 54 11.178 1.226 1.539 402 H ASP 55 H ASP 55 13.542 2.658 -3.285 403 HA ASP 55 HA ASP 55 12.231 1.486 -5.419 404 1HB ASP 55 1HB ASP 55 14.199 1.957 -6.733 405 2HB ASP 55 2HB ASP 55 13.985 3.260 -5.569 406 H ASN 56 H ASN 56 14.686 0.133 -3.318 407 HA ASN 56 HA ASN 56 15.535 -2.059 -4.762 408 1HB ASN 56 1HB ASN 56 15.106 -1.783 -1.777 409 2HB ASN 56 2HB ASN 56 15.917 -3.162 -2.514 410 1HD2 ASN 56 1HD2 ASN 56 16.971 -1.212 -0.630 411 2HD2 ASN 56 2HD2 ASN 56 18.332 -0.476 -1.404 412 H LEU 57 H LEU 57 12.523 -1.685 -2.957 413 HA LEU 57 HA LEU 57 11.698 -4.347 -3.940 414 1HB LEU 57 1HB LEU 57 10.254 -4.575 -2.004 415 2HB LEU 57 2HB LEU 57 11.910 -4.308 -1.504 416 HG LEU 57 HG LEU 57 11.139 -1.797 -1.277 417 1HD1 LEU 57 1HD1 LEU 57 8.917 -2.062 -2.232 418 2HD1 LEU 57 2HD1 LEU 57 8.806 -1.583 -0.539 419 3HD1 LEU 57 3HD1 LEU 57 8.508 -3.259 -1.001 420 1HD2 LEU 57 1HD2 LEU 57 10.342 -3.920 0.717 421 2HD2 LEU 57 2HD2 LEU 57 10.566 -2.205 1.063 422 3HD2 LEU 57 3HD2 LEU 57 11.940 -3.188 0.558 423 H LEU 58 H LEU 58 11.311 -1.145 -4.451 424 HA LEU 58 HA LEU 58 8.522 -0.803 -4.635 425 1HB LEU 58 1HB LEU 58 10.217 1.039 -4.658 426 2HB LEU 58 2HB LEU 58 10.662 0.561 -6.284 427 HG LEU 58 HG LEU 58 8.330 1.075 -7.019 428 1HD1 LEU 58 1HD1 LEU 58 6.909 2.424 -5.546 429 2HD1 LEU 58 2HD1 LEU 58 8.058 2.183 -4.227 430 3HD1 LEU 58 3HD1 LEU 58 7.184 0.806 -4.902 431 1HD2 LEU 58 1HD2 LEU 58 10.138 2.693 -7.325 432 2HD2 LEU 58 2HD2 LEU 58 9.821 3.361 -5.723 433 3HD2 LEU 58 3HD2 LEU 58 8.607 3.503 -6.996 434 H ASN 59 H ASN 59 7.615 -2.581 -5.603 435 HA ASN 59 HA ASN 59 7.644 -2.674 -8.491 436 1HB ASN 59 1HB ASN 59 9.587 -4.115 -7.867 437 2HB ASN 59 2HB ASN 59 8.523 -5.097 -6.871 438 1HD2 ASN 59 1HD2 ASN 59 10.183 -5.850 -9.143 439 2HD2 ASN 59 2HD2 ASN 59 9.115 -6.554 -10.307 440 H ARG 60 H ARG 60 5.784 -3.657 -9.293 441 HA ARG 60 HA ARG 60 3.438 -3.566 -7.843 442 1HB ARG 60 1HB ARG 60 3.940 -5.458 -10.153 443 2HB ARG 60 2HB ARG 60 2.398 -4.775 -9.655 444 1HG ARG 60 1HG ARG 60 3.050 -2.591 -10.391 445 2HG ARG 60 2HG ARG 60 4.702 -3.135 -10.697 446 1HD ARG 60 1HD ARG 60 2.203 -4.000 -12.152 447 2HD ARG 60 2HD ARG 60 3.516 -3.012 -12.794 448 HE ARG 60 HE ARG 60 4.685 -5.375 -11.976 449 1HH1 ARG 60 1HH1 ARG 60 2.220 -4.444 -14.280 450 2HH1 ARG 60 2HH1 ARG 60 2.521 -5.787 -15.336 451 1HH2 ARG 60 1HH2 ARG 60 5.074 -7.155 -13.357 452 2HH2 ARG 60 2HH2 ARG 60 4.130 -7.334 -14.808 453 H LYS 61 H LYS 61 5.679 -6.225 -8.276 454 HA LYS 61 HA LYS 61 4.242 -8.391 -7.343 455 1HB LYS 61 1HB LYS 61 6.451 -8.646 -8.302 456 2HB LYS 61 2HB LYS 61 7.171 -7.705 -7.006 457 1HG LYS 61 1HG LYS 61 7.738 -9.833 -6.374 458 2HG LYS 61 2HG LYS 61 6.241 -9.612 -5.473 459 1HD LYS 61 1HD LYS 61 6.428 -10.994 -8.155 460 2HD LYS 61 2HD LYS 61 6.465 -11.833 -6.607 461 1HE LYS 61 1HE LYS 61 4.219 -10.924 -6.099 462 2HE LYS 61 2HE LYS 61 4.191 -10.165 -7.691 463 1HZ LYS 61 1HZ LYS 61 4.396 -12.380 -8.682 464 2HZ LYS 61 2HZ LYS 61 3.004 -12.238 -7.737 465 3HZ LYS 61 3HZ LYS 61 4.341 -13.077 -7.138 466 H SER 62 H SER 62 6.033 -5.967 -5.478 467 HA SER 62 HA SER 62 5.665 -7.248 -2.965 468 1HB SER 62 1HB SER 62 6.329 -4.347 -3.534 469 2HB SER 62 2HB SER 62 6.600 -5.209 -2.017 470 HG SER 62 HG SER 62 8.410 -4.983 -3.636 471 H PHE 63 H PHE 63 4.074 -4.490 -4.548 472 HA PHE 63 HA PHE 63 2.251 -3.953 -2.449 473 1HB PHE 63 1HB PHE 63 2.095 -3.291 -5.402 474 2HB PHE 63 2HB PHE 63 1.003 -2.645 -4.180 475 HD1 PHE 63 HD1 PHE 63 1.822 -1.057 -2.495 476 HD2 PHE 63 HD2 PHE 63 4.341 -2.471 -5.625 477 HE1 PHE 63 HE1 PHE 63 3.400 0.775 -2.052 478 HE2 PHE 63 HE2 PHE 63 5.924 -0.642 -5.181 479 HZ PHE 63 HZ PHE 63 5.453 0.985 -3.394 480 H ALA 64 H ALA 64 2.217 -6.198 -5.115 481 HA ALA 64 HA ALA 64 -0.543 -6.801 -5.143 482 1HB ALA 64 1HB ALA 64 0.100 -8.819 -6.371 483 2HB ALA 64 2HB ALA 64 1.789 -8.554 -5.934 484 3HB ALA 64 3HB ALA 64 0.959 -7.404 -6.983 485 H SER 65 H SER 65 1.984 -7.611 -2.973 486 HA SER 65 HA SER 65 0.175 -9.436 -1.540 487 1HB SER 65 1HB SER 65 3.182 -9.743 -1.821 488 2HB SER 65 2HB SER 65 2.129 -10.779 -0.857 489 HG SER 65 HG SER 65 1.288 -10.526 -3.449 490 H ILE 66 H ILE 66 -0.433 -7.459 -0.401 491 HA ILE 66 HA ILE 66 1.284 -5.806 1.021 492 HB ILE 66 HB ILE 66 -1.503 -6.658 1.833 493 1HG1 ILE 66 1HG1 ILE 66 -0.549 -4.245 0.261 494 2HG1 ILE 66 2HG1 ILE 66 -1.426 -5.624 -0.395 495 1HG2 ILE 66 1HG2 ILE 66 0.136 -4.293 2.755 496 2HG2 ILE 66 2HG2 ILE 66 -0.306 -5.698 3.726 497 3HG2 ILE 66 3HG2 ILE 66 -1.555 -4.588 3.162 498 1HD1 ILE 66 1HD1 ILE 66 -2.478 -3.668 1.641 499 2HD1 ILE 66 2HD1 ILE 66 -3.358 -5.049 0.985 500 3HD1 ILE 66 3HD1 ILE 66 -2.890 -3.718 -0.073 501 H LYS 67 H LYS 67 -0.194 -8.860 1.999 502 HA LYS 67 HA LYS 67 0.610 -8.998 4.631 503 1HB LYS 67 1HB LYS 67 0.470 -11.450 4.431 504 2HB LYS 67 2HB LYS 67 -0.906 -10.643 3.703 505 1HG LYS 67 1HG LYS 67 1.382 -11.385 1.940 506 2HG LYS 67 2HG LYS 67 0.315 -12.663 2.516 507 1HD LYS 67 1HD LYS 67 -1.618 -11.439 1.591 508 2HD LYS 67 2HD LYS 67 -0.531 -10.199 0.976 509 1HE LYS 67 1HE LYS 67 -1.126 -11.747 -0.795 510 2HE LYS 67 2HE LYS 67 0.588 -11.887 -0.417 511 1HZ LYS 67 1HZ LYS 67 0.132 -13.871 0.851 512 2HZ LYS 67 2HZ LYS 67 -0.490 -14.043 -0.713 513 3HZ LYS 67 3HZ LYS 67 -1.530 -13.711 0.576 514 H ALA 68 H ALA 68 2.519 -9.583 1.745 515 HA ALA 68 HA ALA 68 4.777 -10.639 3.220 516 1HB ALA 68 1HB ALA 68 4.310 -11.432 0.947 517 2HB ALA 68 2HB ALA 68 5.905 -10.689 1.051 518 3HB ALA 68 3HB ALA 68 4.565 -9.802 0.321 519 H ILE 69 H ILE 69 4.037 -7.683 1.395 520 HA ILE 69 HA ILE 69 6.542 -6.459 1.718 521 HB ILE 69 HB ILE 69 4.709 -5.842 0.047 522 1HG1 ILE 69 1HG1 ILE 69 6.035 -3.569 1.563 523 2HG1 ILE 69 2HG1 ILE 69 6.804 -4.539 0.312 524 1HG2 ILE 69 1HG2 ILE 69 3.726 -4.113 2.321 525 2HG2 ILE 69 2HG2 ILE 69 2.916 -5.563 1.736 526 3HG2 ILE 69 3HG2 ILE 69 3.090 -4.167 0.673 527 1HD1 ILE 69 1HD1 ILE 69 5.139 -3.717 -1.306 528 2HD1 ILE 69 2HD1 ILE 69 6.110 -2.428 -0.597 529 3HD1 ILE 69 3HD1 ILE 69 4.455 -2.691 -0.044 530 H GLU 70 H GLU 70 3.725 -6.553 3.798 531 HA GLU 70 HA GLU 70 4.323 -4.301 5.382 532 1HB GLU 70 1HB GLU 70 2.683 -5.116 6.942 533 2HB GLU 70 2HB GLU 70 2.100 -5.388 5.310 534 1HG GLU 70 1HG GLU 70 1.509 -7.344 6.359 535 2HG GLU 70 2HG GLU 70 3.051 -7.781 5.629 536 H ASP 71 H ASP 71 5.476 -7.606 5.484 537 HA ASP 71 HA ASP 71 6.798 -7.239 8.030 538 1HB ASP 71 1HB ASP 71 6.028 -9.481 7.380 539 2HB ASP 71 2HB ASP 71 7.097 -9.452 5.981 540 H THR 72 H THR 72 7.630 -7.138 4.619 541 HA THR 72 HA THR 72 10.417 -6.924 4.885 542 HB THR 72 HB THR 72 8.701 -5.662 2.728 543 HG1 THR 72 HG1 THR 72 9.104 -8.252 3.363 544 1HG2 THR 72 1HG2 THR 72 10.712 -5.941 1.326 545 2HG2 THR 72 2HG2 THR 72 11.601 -6.534 2.728 546 3HG2 THR 72 3HG2 THR 72 11.018 -4.870 2.692 547 H VAL 73 H VAL 73 7.854 -4.466 4.946 548 HA VAL 73 HA VAL 73 9.650 -2.267 5.115 549 HB VAL 73 HB VAL 73 7.322 -1.981 4.341 550 1HG1 VAL 73 1HG1 VAL 73 5.481 -1.871 5.962 551 2HG1 VAL 73 2HG1 VAL 73 6.567 -2.456 7.222 552 3HG1 VAL 73 3HG1 VAL 73 6.174 -3.488 5.849 553 1HG2 VAL 73 1HG2 VAL 73 6.856 0.118 5.527 554 2HG2 VAL 73 2HG2 VAL 73 8.566 -0.042 5.123 555 3HG2 VAL 73 3HG2 VAL 73 8.019 -0.332 6.775 556 H LYS 74 H LYS 74 8.178 -4.411 7.487 557 HA LYS 74 HA LYS 74 8.900 -3.036 9.829 558 1HB LYS 74 1HB LYS 74 8.634 -5.986 9.222 559 2HB LYS 74 2HB LYS 74 9.025 -5.392 10.830 560 1HG LYS 74 1HG LYS 74 6.931 -4.258 11.005 561 2HG LYS 74 2HG LYS 74 6.562 -4.566 9.310 562 1HD LYS 74 1HD LYS 74 5.326 -6.044 10.867 563 2HD LYS 74 2HD LYS 74 6.335 -6.927 9.726 564 1HE LYS 74 1HE LYS 74 7.325 -6.257 12.484 565 2HE LYS 74 2HE LYS 74 6.312 -7.669 12.197 566 1HZ LYS 74 1HZ LYS 74 8.004 -8.333 10.481 567 2HZ LYS 74 2HZ LYS 74 8.526 -8.406 12.085 568 3HZ LYS 74 3HZ LYS 74 9.011 -7.122 11.100 569 H LEU 75 H LEU 75 10.690 -5.318 7.801 570 HA LEU 75 HA LEU 75 13.081 -5.399 9.266 571 1HB LEU 75 1HB LEU 75 12.719 -5.576 6.263 572 2HB LEU 75 2HB LEU 75 14.145 -6.087 7.149 573 HG LEU 75 HG LEU 75 11.393 -7.320 7.396 574 1HD1 LEU 75 1HD1 LEU 75 12.386 -9.258 6.283 575 2HD1 LEU 75 2HD1 LEU 75 13.897 -8.371 6.076 576 3HD1 LEU 75 3HD1 LEU 75 12.435 -7.827 5.253 577 1HD2 LEU 75 1HD2 LEU 75 14.018 -8.133 8.653 578 2HD2 LEU 75 2HD2 LEU 75 12.508 -9.041 8.739 579 3HD2 LEU 75 3HD2 LEU 75 12.624 -7.453 9.494 580 H ILE 76 H ILE 76 11.838 -3.087 6.937 581 HA ILE 76 HA ILE 76 14.165 -1.509 6.669 582 HB ILE 76 HB ILE 76 11.277 -0.616 6.458 583 1HG1 ILE 76 1HG1 ILE 76 13.201 -1.516 4.292 584 2HG1 ILE 76 2HG1 ILE 76 11.851 -2.463 4.907 585 1HG2 ILE 76 1HG2 ILE 76 12.786 1.277 6.749 586 2HG2 ILE 76 2HG2 ILE 76 12.166 1.234 5.099 587 3HG2 ILE 76 3HG2 ILE 76 13.807 0.686 5.437 588 1HD1 ILE 76 1HD1 ILE 76 11.279 -1.441 2.802 589 2HD1 ILE 76 2HD1 ILE 76 11.660 0.157 3.441 590 3HD1 ILE 76 3HD1 ILE 76 10.296 -0.751 4.094 591 H LEU 77 H LEU 77 11.343 -1.198 8.850 592 HA LEU 77 HA LEU 77 12.213 1.097 10.191 593 1HB LEU 77 1HB LEU 77 10.346 -1.132 10.910 594 2HB LEU 77 2HB LEU 77 10.817 0.003 12.159 595 HG LEU 77 HG LEU 77 8.691 0.662 11.195 596 1HD1 LEU 77 1HD1 LEU 77 10.183 2.434 11.947 597 2HD1 LEU 77 2HD1 LEU 77 9.218 2.962 10.570 598 3HD1 LEU 77 3HD1 LEU 77 10.911 2.523 10.342 599 1HD2 LEU 77 1HD2 LEU 77 8.923 -0.363 8.994 600 2HD2 LEU 77 2HD2 LEU 77 10.147 0.829 8.554 601 3HD2 LEU 77 3HD2 LEU 77 8.486 1.340 8.857 602 H ASP 78 H ASP 78 13.164 -2.239 10.580 603 HA ASP 78 HA ASP 78 14.520 -1.880 13.072 604 1HB ASP 78 1HB ASP 78 13.804 -4.105 12.400 605 2HB ASP 78 2HB ASP 78 14.783 -4.020 10.941 606 H GLY 79 H GLY 79 15.371 -1.487 9.722 607 1HA GLY 79 1HA GLY 79 17.812 -0.099 10.489 608 2HA GLY 79 2HA GLY 79 18.037 -1.543 9.507 609 H LYS 80 H LYS 80 16.193 1.483 9.604 610 HA LYS 80 HA LYS 80 15.399 1.524 6.922 611 1HB LYS 80 1HB LYS 80 15.982 3.903 8.707 612 2HB LYS 80 2HB LYS 80 15.124 3.975 7.180 613 1HG LYS 80 1HG LYS 80 13.342 3.939 8.562 614 2HG LYS 80 2HG LYS 80 13.561 2.201 8.383 615 1HD LYS 80 1HD LYS 80 13.211 2.748 10.716 616 2HD LYS 80 2HD LYS 80 14.866 2.184 10.490 617 1HE LYS 80 1HE LYS 80 15.651 4.509 10.467 618 2HE LYS 80 2HE LYS 80 13.992 5.069 10.682 619 1HZ LYS 80 1HZ LYS 80 15.251 5.033 12.763 620 2HZ LYS 80 2HZ LYS 80 15.460 3.363 12.616 621 3HZ LYS 80 3HZ LYS 80 13.910 4.005 12.819 622 H GLU 81 H GLU 81 18.274 2.780 8.473 623 HA GLU 81 HA GLU 81 19.403 3.864 6.064 624 1HB GLU 81 1HB GLU 81 21.399 4.245 7.522 625 2HB GLU 81 2HB GLU 81 19.911 4.936 8.153 626 1HG GLU 81 1HG GLU 81 19.673 3.036 9.683 627 2HG GLU 81 2HG GLU 81 21.168 2.346 9.052 628 H ALA 82 H ALA 82 18.866 1.440 5.277 629 HA ALA 82 HA ALA 82 21.235 -0.268 5.611 630 1HB ALA 82 1HB ALA 82 19.873 -2.019 4.554 631 2HB ALA 82 2HB ALA 82 18.553 -0.868 4.345 632 3HB ALA 82 3HB ALA 82 19.065 -1.337 5.967 633 H ALA 83 H ALA 83 20.980 2.258 3.961 634 HA ALA 83 HA ALA 83 21.243 1.314 1.226 635 1HB ALA 83 1HB ALA 83 20.045 3.408 1.666 636 2HB ALA 83 2HB ALA 83 21.459 3.681 0.649 637 3HB ALA 83 3HB ALA 83 21.509 4.106 2.360 Start of MODEL 16 1 HA MET 1 HA MET 1 1.716 0.536 9.153 2 1HB MET 1 1HB MET 1 2.677 -1.873 10.670 3 2HB MET 1 2HB MET 1 3.203 -1.603 9.014 4 1HG MET 1 1HG MET 1 4.246 0.455 9.586 5 2HG MET 1 2HG MET 1 3.510 0.450 11.186 6 1HE MET 1 1HE MET 1 6.686 -2.652 9.920 7 2HE MET 1 2HE MET 1 6.015 -1.453 8.813 8 3HE MET 1 3HE MET 1 4.992 -2.744 9.446 9 H ASN 2 H ASN 2 0.895 -2.924 9.688 10 HA ASN 2 HA ASN 2 0.575 -3.453 6.978 11 1HB ASN 2 1HB ASN 2 -0.477 -5.556 7.619 12 2HB ASN 2 2HB ASN 2 0.896 -5.218 8.661 13 1HD2 ASN 2 1HD2 ASN 2 -1.302 -6.988 9.152 14 2HD2 ASN 2 2HD2 ASN 2 -2.088 -6.424 10.587 15 H ALA 3 H ALA 3 -1.913 -2.570 9.349 16 HA ALA 3 HA ALA 3 -4.030 -2.592 7.393 17 1HB ALA 3 1HB ALA 3 -4.475 -3.059 9.766 18 2HB ALA 3 2HB ALA 3 -5.414 -1.680 9.190 19 3HB ALA 3 3HB ALA 3 -3.977 -1.418 10.181 20 H THR 4 H THR 4 -1.959 -0.217 8.931 21 HA THR 4 HA THR 4 -3.092 2.177 8.155 22 HB THR 4 HB THR 4 -0.119 1.605 8.206 23 HG1 THR 4 HG1 THR 4 -1.649 2.385 10.465 24 1HG2 THR 4 1HG2 THR 4 -0.744 3.850 7.435 25 2HG2 THR 4 2HG2 THR 4 0.069 3.906 8.999 26 3HG2 THR 4 3HG2 THR 4 -1.684 4.096 8.908 27 H ILE 5 H ILE 5 -0.854 0.107 6.388 28 HA ILE 5 HA ILE 5 -0.289 1.835 4.261 29 HB ILE 5 HB ILE 5 -0.164 -1.185 4.378 30 1HG1 ILE 5 1HG1 ILE 5 2.113 0.796 4.636 31 2HG1 ILE 5 2HG1 ILE 5 1.187 0.260 6.033 32 1HG2 ILE 5 1HG2 ILE 5 1.407 -1.019 2.485 33 2HG2 ILE 5 2HG2 ILE 5 1.094 0.713 2.384 34 3HG2 ILE 5 3HG2 ILE 5 -0.201 -0.438 2.053 35 1HD1 ILE 5 1HD1 ILE 5 3.226 -0.994 5.851 36 2HD1 ILE 5 2HD1 ILE 5 2.825 -1.474 4.201 37 3HD1 ILE 5 3HD1 ILE 5 1.850 -2.055 5.552 38 H ARG 6 H ARG 6 -2.729 -0.767 4.520 39 HA ARG 6 HA ARG 6 -3.772 -0.231 1.894 40 1HB ARG 6 1HB ARG 6 -5.603 -1.745 2.495 41 2HB ARG 6 2HB ARG 6 -4.043 -2.454 2.889 42 1HG ARG 6 1HG ARG 6 -4.357 -2.096 5.210 43 2HG ARG 6 2HG ARG 6 -5.743 -1.041 4.931 44 1HD ARG 6 1HD ARG 6 -5.634 -3.989 4.286 45 2HD ARG 6 2HD ARG 6 -6.408 -3.282 5.707 46 HE ARG 6 HE ARG 6 -7.518 -2.014 3.516 47 1HH1 ARG 6 1HH1 ARG 6 -7.361 -5.280 4.780 48 2HH1 ARG 6 2HH1 ARG 6 -8.880 -5.749 4.077 49 1HH2 ARG 6 1HH2 ARG 6 -9.501 -2.662 2.561 50 2HH2 ARG 6 2HH2 ARG 6 -10.064 -4.288 2.796 51 H GLU 7 H GLU 7 -4.324 0.982 5.090 52 HA GLU 7 HA GLU 7 -6.929 1.998 4.777 53 1HB GLU 7 1HB GLU 7 -5.904 1.693 6.970 54 2HB GLU 7 2HB GLU 7 -4.679 2.898 6.595 55 1HG GLU 7 1HG GLU 7 -6.397 4.630 6.499 56 2HG GLU 7 2HG GLU 7 -7.638 3.426 6.846 57 H ILE 8 H ILE 8 -3.755 3.355 4.009 58 HA ILE 8 HA ILE 8 -4.626 6.016 3.669 59 HB ILE 8 HB ILE 8 -2.228 5.365 3.939 60 1HG1 ILE 8 1HG1 ILE 8 -2.963 7.074 1.553 61 2HG1 ILE 8 2HG1 ILE 8 -2.856 7.609 3.226 62 1HG2 ILE 8 1HG2 ILE 8 -0.953 4.719 1.946 63 2HG2 ILE 8 2HG2 ILE 8 -2.454 4.592 1.028 64 3HG2 ILE 8 3HG2 ILE 8 -2.148 3.496 2.376 65 1HD1 ILE 8 1HD1 ILE 8 -0.579 6.646 1.516 66 2HD1 ILE 8 2HD1 ILE 8 -0.458 7.150 3.202 67 3HD1 ILE 8 3HD1 ILE 8 -0.928 8.315 1.965 68 H LEU 9 H LEU 9 -4.627 3.254 1.500 69 HA LEU 9 HA LEU 9 -4.917 4.589 -0.947 70 1HB LEU 9 1HB LEU 9 -5.741 1.863 0.002 71 2HB LEU 9 2HB LEU 9 -6.219 2.416 -1.590 72 HG LEU 9 HG LEU 9 -4.234 1.040 -1.753 73 1HD1 LEU 9 1HD1 LEU 9 -3.571 3.947 -2.226 74 2HD1 LEU 9 2HD1 LEU 9 -4.455 2.892 -3.330 75 3HD1 LEU 9 3HD1 LEU 9 -2.763 2.561 -2.962 76 1HD2 LEU 9 1HD2 LEU 9 -2.891 3.044 0.058 77 2HD2 LEU 9 2HD2 LEU 9 -2.121 1.667 -0.729 78 3HD2 LEU 9 3HD2 LEU 9 -3.351 1.401 0.505 79 H ALA 10 H ALA 10 -7.179 4.052 1.611 80 HA ALA 10 HA ALA 10 -9.571 4.410 0.114 81 1HB ALA 10 1HB ALA 10 -10.655 4.666 2.291 82 2HB ALA 10 2HB ALA 10 -9.075 4.796 3.067 83 3HB ALA 10 3HB ALA 10 -9.550 3.291 2.283 84 H LYS 11 H LYS 11 -7.268 6.600 1.527 85 HA LYS 11 HA LYS 11 -9.092 8.865 1.057 86 1HB LYS 11 1HB LYS 11 -7.463 10.068 2.676 87 2HB LYS 11 2HB LYS 11 -8.649 8.946 3.327 88 1HG LYS 11 1HG LYS 11 -6.905 7.200 3.426 89 2HG LYS 11 2HG LYS 11 -5.726 8.379 2.853 90 1HD LYS 11 1HD LYS 11 -6.177 9.777 4.835 91 2HD LYS 11 2HD LYS 11 -7.334 8.574 5.408 92 1HE LYS 11 1HE LYS 11 -5.512 6.909 5.503 93 2HE LYS 11 2HE LYS 11 -4.371 8.154 4.993 94 1HZ LYS 11 1HZ LYS 11 -4.969 9.410 7.011 95 2HZ LYS 11 2HZ LYS 11 -4.284 7.905 7.361 96 3HZ LYS 11 3HZ LYS 11 -5.951 8.126 7.508 97 H PHE 12 H PHE 12 -5.582 8.116 0.931 98 HA PHE 12 HA PHE 12 -5.162 10.353 -0.886 99 1HB PHE 12 1HB PHE 12 -3.285 8.375 0.409 100 2HB PHE 12 2HB PHE 12 -2.740 9.527 -0.797 101 HD1 PHE 12 HD1 PHE 12 -4.220 9.210 2.576 102 HD2 PHE 12 HD2 PHE 12 -2.317 11.789 -0.224 103 HE1 PHE 12 HE1 PHE 12 -3.907 10.890 4.342 104 HE2 PHE 12 HE2 PHE 12 -1.999 13.472 1.540 105 HZ PHE 12 HZ PHE 12 -2.794 13.025 3.827 106 H GLY 13 H GLY 13 -5.595 6.929 -1.057 107 1HA GLY 13 1HA GLY 13 -4.191 6.548 -3.537 108 2HA GLY 13 2HA GLY 13 -5.226 5.382 -2.730 109 H GLN 14 H GLN 14 -4.900 7.013 -5.502 110 HA GLN 14 HA GLN 14 -7.674 7.690 -5.979 111 1HB GLN 14 1HB GLN 14 -5.261 7.596 -7.806 112 2HB GLN 14 2HB GLN 14 -6.869 8.075 -8.339 113 1HG GLN 14 1HG GLN 14 -5.292 9.456 -6.168 114 2HG GLN 14 2HG GLN 14 -5.376 9.984 -7.847 115 1HE2 GLN 14 1HE2 GLN 14 -7.291 10.870 -8.631 116 2HE2 GLN 14 2HE2 GLN 14 -8.547 11.427 -7.582 117 H LEU 15 H LEU 15 -8.130 5.393 -5.208 118 HA LEU 15 HA LEU 15 -7.966 3.397 -7.348 119 1HB LEU 15 1HB LEU 15 -7.380 2.860 -4.936 120 2HB LEU 15 2HB LEU 15 -9.071 3.092 -4.543 121 HG LEU 15 HG LEU 15 -9.638 1.219 -6.106 122 1HD1 LEU 15 1HD1 LEU 15 -7.869 -0.275 -6.853 123 2HD1 LEU 15 2HD1 LEU 15 -6.656 0.819 -6.192 124 3HD1 LEU 15 3HD1 LEU 15 -7.669 1.338 -7.537 125 1HD2 LEU 15 1HD2 LEU 15 -9.452 0.832 -3.701 126 2HD2 LEU 15 2HD2 LEU 15 -7.722 0.531 -3.874 127 3HD2 LEU 15 3HD2 LEU 15 -8.888 -0.570 -4.611 128 HA PRO 16 HA PRO 16 -12.157 4.530 -8.465 129 1HB PRO 16 1HB PRO 16 -12.607 2.619 -10.320 130 2HB PRO 16 2HB PRO 16 -11.519 3.980 -10.622 131 1HG PRO 16 1HG PRO 16 -10.876 1.150 -9.895 132 2HG PRO 16 2HG PRO 16 -10.052 2.232 -11.033 133 1HD PRO 16 1HD PRO 16 -9.187 1.713 -8.467 134 2HD PRO 16 2HD PRO 16 -8.776 3.180 -9.381 135 H THR 17 H THR 17 -11.202 1.678 -6.958 136 HA THR 17 HA THR 17 -13.952 0.718 -6.597 137 HB THR 17 HB THR 17 -11.288 -0.692 -6.688 138 HG1 THR 17 HG1 THR 17 -11.895 -1.092 -8.648 139 1HG2 THR 17 1HG2 THR 17 -12.550 -1.669 -4.864 140 2HG2 THR 17 2HG2 THR 17 -12.461 -2.789 -6.223 141 3HG2 THR 17 3HG2 THR 17 -13.945 -1.885 -5.919 142 HA PRO 18 HA PRO 18 -13.488 1.762 -2.272 143 1HB PRO 18 1HB PRO 18 -15.047 -0.265 -1.192 144 2HB PRO 18 2HB PRO 18 -15.673 1.256 -1.836 145 1HG PRO 18 1HG PRO 18 -15.521 -1.433 -3.135 146 2HG PRO 18 2HG PRO 18 -16.812 -0.218 -3.215 147 1HD PRO 18 1HD PRO 18 -15.064 -0.566 -5.232 148 2HD PRO 18 2HD PRO 18 -15.694 1.039 -4.818 149 H VAL 19 H VAL 19 -11.742 1.368 -1.089 150 HA VAL 19 HA VAL 19 -10.137 -0.958 -1.372 151 HB VAL 19 HB VAL 19 -9.998 1.084 0.861 152 1HG1 VAL 19 1HG1 VAL 19 -7.888 -0.730 -0.319 153 2HG1 VAL 19 2HG1 VAL 19 -8.629 -0.878 1.276 154 3HG1 VAL 19 3HG1 VAL 19 -7.601 0.507 0.907 155 1HG2 VAL 19 1HG2 VAL 19 -8.427 2.335 -0.541 156 2HG2 VAL 19 2HG2 VAL 19 -10.014 2.228 -1.300 157 3HG2 VAL 19 3HG2 VAL 19 -8.697 1.199 -1.863 158 H ASP 20 H ASP 20 -12.890 -0.289 0.455 159 HA ASP 20 HA ASP 20 -12.443 -1.817 2.778 160 1HB ASP 20 1HB ASP 20 -14.247 -0.133 2.532 161 2HB ASP 20 2HB ASP 20 -15.073 -1.204 1.403 162 H THR 21 H THR 21 -13.368 -2.730 -0.471 163 HA THR 21 HA THR 21 -14.468 -5.281 0.330 164 HB THR 21 HB THR 21 -15.352 -4.034 -1.645 165 HG1 THR 21 HG1 THR 21 -15.927 -5.902 -2.468 166 1HG2 THR 21 1HG2 THR 21 -13.217 -3.244 -2.578 167 2HG2 THR 21 2HG2 THR 21 -14.156 -4.139 -3.770 168 3HG2 THR 21 3HG2 THR 21 -12.780 -4.906 -2.976 169 H ILE 22 H ILE 22 -11.415 -4.087 -0.932 170 HA ILE 22 HA ILE 22 -10.374 -6.744 -1.429 171 HB ILE 22 HB ILE 22 -8.206 -5.545 -1.875 172 1HG1 ILE 22 1HG1 ILE 22 -9.916 -3.071 -1.470 173 2HG1 ILE 22 2HG1 ILE 22 -8.572 -3.572 -0.450 174 1HG2 ILE 22 1HG2 ILE 22 -8.912 -4.617 -4.014 175 2HG2 ILE 22 2HG2 ILE 22 -10.585 -4.558 -3.456 176 3HG2 ILE 22 3HG2 ILE 22 -9.780 -6.113 -3.670 177 1HD1 ILE 22 1HD1 ILE 22 -8.409 -2.702 -3.329 178 2HD1 ILE 22 2HD1 ILE 22 -7.049 -3.277 -2.363 179 3HD1 ILE 22 3HD1 ILE 22 -7.884 -1.790 -1.913 180 H ALA 23 H ALA 23 -8.018 -7.076 -0.477 181 HA ALA 23 HA ALA 23 -7.540 -6.187 2.182 182 1HB ALA 23 1HB ALA 23 -9.443 -7.669 2.658 183 2HB ALA 23 2HB ALA 23 -7.950 -8.284 3.369 184 3HB ALA 23 3HB ALA 23 -8.589 -9.010 1.893 185 H ASP 24 H ASP 24 -5.846 -7.812 3.226 186 HA ASP 24 HA ASP 24 -3.622 -7.766 1.469 187 1HB ASP 24 1HB ASP 24 -2.386 -8.820 3.334 188 2HB ASP 24 2HB ASP 24 -3.334 -7.434 3.859 189 H GLU 25 H GLU 25 -5.849 -10.294 2.408 190 HA GLU 25 HA GLU 25 -4.335 -12.338 0.986 191 1HB GLU 25 1HB GLU 25 -6.893 -12.388 2.583 192 2HB GLU 25 2HB GLU 25 -6.388 -13.763 1.613 193 1HG GLU 25 1HG GLU 25 -4.803 -12.528 3.860 194 2HG GLU 25 2HG GLU 25 -5.755 -14.010 3.959 195 H ALA 26 H ALA 26 -6.057 -9.878 -0.084 196 HA ALA 26 HA ALA 26 -7.264 -11.406 -2.303 197 1HB ALA 26 1HB ALA 26 -8.083 -8.691 -1.251 198 2HB ALA 26 2HB ALA 26 -8.960 -10.201 -1.012 199 3HB ALA 26 3HB ALA 26 -8.802 -9.522 -2.631 200 H ASP 27 H ASP 27 -7.178 -10.268 -4.410 201 HA ASP 27 HA ASP 27 -4.546 -9.247 -4.920 202 1HB ASP 27 1HB ASP 27 -6.965 -9.567 -6.719 203 2HB ASP 27 2HB ASP 27 -5.388 -9.023 -7.284 204 H LEU 28 H LEU 28 -4.268 -7.297 -3.922 205 HA LEU 28 HA LEU 28 -6.094 -5.217 -3.685 206 1HB LEU 28 1HB LEU 28 -3.074 -5.097 -3.849 207 2HB LEU 28 2HB LEU 28 -4.072 -3.717 -3.445 208 HG LEU 28 HG LEU 28 -3.210 -4.543 -1.407 209 1HD1 LEU 28 1HD1 LEU 28 -6.035 -5.565 -1.657 210 2HD1 LEU 28 2HD1 LEU 28 -5.553 -3.905 -1.300 211 3HD1 LEU 28 3HD1 LEU 28 -5.189 -5.194 -0.153 212 1HD2 LEU 28 1HD2 LEU 28 -3.323 -6.821 -0.654 213 2HD2 LEU 28 2HD2 LEU 28 -2.542 -6.775 -2.234 214 3HD2 LEU 28 3HD2 LEU 28 -4.220 -7.298 -2.094 215 H TYR 29 H TYR 29 -3.632 -5.729 -6.181 216 HA TYR 29 HA TYR 29 -4.056 -3.324 -7.562 217 1HB TYR 29 1HB TYR 29 -2.797 -4.371 -9.409 218 2HB TYR 29 2HB TYR 29 -2.013 -4.611 -7.853 219 HD1 TYR 29 HD1 TYR 29 -2.039 -6.845 -6.784 220 HD2 TYR 29 HD2 TYR 29 -3.610 -6.241 -10.696 221 HE1 TYR 29 HE1 TYR 29 -1.948 -9.264 -7.187 222 HE2 TYR 29 HE2 TYR 29 -3.530 -8.663 -11.107 223 HH TYR 29 HH TYR 29 -3.168 -10.928 -8.701 224 H ALA 30 H ALA 30 -5.832 -6.286 -7.584 225 HA ALA 30 HA ALA 30 -6.981 -6.107 -10.168 226 1HB ALA 30 1HB ALA 30 -8.594 -7.756 -9.359 227 2HB ALA 30 2HB ALA 30 -8.048 -7.486 -7.702 228 3HB ALA 30 3HB ALA 30 -6.950 -8.190 -8.891 229 H ALA 31 H ALA 31 -7.656 -4.517 -7.171 230 HA ALA 31 HA ALA 31 -10.310 -3.659 -7.733 231 1HB ALA 31 1HB ALA 31 -9.919 -1.998 -5.957 232 2HB ALA 31 2HB ALA 31 -8.209 -2.427 -5.944 233 3HB ALA 31 3HB ALA 31 -9.420 -3.617 -5.474 234 H GLY 32 H GLY 32 -7.307 -2.833 -9.022 235 1HA GLY 32 1HA GLY 32 -7.278 -1.576 -11.086 236 2HA GLY 32 2HA GLY 32 -8.509 -0.520 -10.411 237 H LEU 33 H LEU 33 -5.678 -1.600 -8.624 238 HA LEU 33 HA LEU 33 -4.905 0.995 -7.881 239 1HB LEU 33 1HB LEU 33 -3.463 -1.650 -7.850 240 2HB LEU 33 2HB LEU 33 -2.628 -0.177 -7.399 241 HG LEU 33 HG LEU 33 -5.106 -1.247 -6.026 242 1HD1 LEU 33 1HD1 LEU 33 -3.163 -2.678 -5.638 243 2HD1 LEU 33 2HD1 LEU 33 -3.593 -1.789 -4.177 244 3HD1 LEU 33 3HD1 LEU 33 -2.214 -1.274 -5.149 245 1HD2 LEU 33 1HD2 LEU 33 -3.267 1.029 -5.258 246 2HD2 LEU 33 2HD2 LEU 33 -4.678 0.470 -4.358 247 3HD2 LEU 33 3HD2 LEU 33 -4.881 1.215 -5.942 248 H SER 34 H SER 34 -4.403 2.482 -9.340 249 HA SER 34 HA SER 34 -2.769 1.778 -11.659 250 1HB SER 34 1HB SER 34 -4.154 4.396 -11.011 251 2HB SER 34 2HB SER 34 -3.435 3.937 -12.555 252 HG SER 34 HG SER 34 -5.503 2.415 -11.358 253 H SER 35 H SER 35 -1.121 3.544 -12.264 254 HA SER 35 HA SER 35 0.925 3.426 -10.374 255 1HB SER 35 1HB SER 35 1.242 3.697 -12.831 256 2HB SER 35 2HB SER 35 0.686 5.364 -12.692 257 HG SER 35 HG SER 35 2.631 5.877 -12.144 258 H PHE 36 H PHE 36 -1.260 6.102 -11.203 259 HA PHE 36 HA PHE 36 -0.099 8.081 -9.608 260 1HB PHE 36 1HB PHE 36 -3.024 7.733 -10.322 261 2HB PHE 36 2HB PHE 36 -2.299 9.209 -9.695 262 HD1 PHE 36 HD1 PHE 36 -0.243 10.107 -11.085 263 HD2 PHE 36 HD2 PHE 36 -3.252 7.507 -12.616 264 HE1 PHE 36 HE1 PHE 36 0.306 10.820 -13.373 265 HE2 PHE 36 HE2 PHE 36 -2.702 8.218 -14.905 266 HZ PHE 36 HZ PHE 36 -0.921 9.876 -15.286 267 H ALA 37 H ALA 37 -2.793 5.882 -8.809 268 HA ALA 37 HA ALA 37 -3.238 6.696 -6.189 269 1HB ALA 37 1HB ALA 37 -3.490 3.896 -7.306 270 2HB ALA 37 2HB ALA 37 -4.719 5.157 -7.393 271 3HB ALA 37 3HB ALA 37 -4.249 4.495 -5.829 272 H SER 38 H SER 38 -0.847 4.473 -7.487 273 HA SER 38 HA SER 38 -0.036 3.441 -4.961 274 1HB SER 38 1HB SER 38 1.428 3.360 -7.616 275 2HB SER 38 2HB SER 38 1.753 2.338 -6.214 276 HG SER 38 HG SER 38 -0.513 2.353 -7.905 277 H VAL 39 H VAL 39 1.455 5.771 -7.224 278 HA VAL 39 HA VAL 39 3.753 6.214 -5.639 279 HB VAL 39 HB VAL 39 4.206 8.157 -7.056 280 1HG1 VAL 39 1HG1 VAL 39 4.774 5.947 -7.905 281 2HG1 VAL 39 2HG1 VAL 39 4.291 7.013 -9.225 282 3HG1 VAL 39 3HG1 VAL 39 3.169 5.792 -8.622 283 1HG2 VAL 39 1HG2 VAL 39 1.452 7.691 -8.216 284 2HG2 VAL 39 2HG2 VAL 39 2.649 8.827 -8.838 285 3HG2 VAL 39 3HG2 VAL 39 1.948 9.073 -7.239 286 H GLN 40 H GLN 40 0.574 7.677 -5.661 287 HA GLN 40 HA GLN 40 1.261 9.917 -4.034 288 1HB GLN 40 1HB GLN 40 -0.736 9.940 -5.461 289 2HB GLN 40 2HB GLN 40 -1.430 8.617 -4.532 290 1HG GLN 40 1HG GLN 40 -2.408 10.779 -3.931 291 2HG GLN 40 2HG GLN 40 -1.584 10.026 -2.568 292 1HE2 GLN 40 1HE2 GLN 40 -1.329 11.996 -1.506 293 2HE2 GLN 40 2HE2 GLN 40 -0.207 13.196 -2.033 294 H LEU 41 H LEU 41 -0.021 6.677 -3.383 295 HA LEU 41 HA LEU 41 -0.603 7.075 -0.664 296 1HB LEU 41 1HB LEU 41 -1.209 4.895 -0.646 297 2HB LEU 41 2HB LEU 41 -1.057 5.056 -2.380 298 HG LEU 41 HG LEU 41 1.438 4.232 -1.870 299 1HD1 LEU 41 1HD1 LEU 41 1.470 2.549 -0.102 300 2HD1 LEU 41 2HD1 LEU 41 -0.163 3.011 0.376 301 3HD1 LEU 41 3HD1 LEU 41 1.163 4.158 0.552 302 1HD2 LEU 41 1HD2 LEU 41 0.719 1.962 -2.392 303 2HD2 LEU 41 2HD2 LEU 41 -0.157 3.136 -3.370 304 3HD2 LEU 41 3HD2 LEU 41 -0.946 2.382 -1.985 305 H MET 42 H MET 42 2.375 6.505 -2.342 306 HA MET 42 HA MET 42 4.032 5.616 -0.277 307 1HB MET 42 1HB MET 42 4.728 7.477 -2.565 308 2HB MET 42 2HB MET 42 5.894 6.621 -1.572 309 1HG MET 42 1HG MET 42 3.832 5.242 -3.275 310 2HG MET 42 2HG MET 42 5.454 5.637 -3.832 311 1HE MET 42 1HE MET 42 4.274 2.303 -0.907 312 2HE MET 42 2HE MET 42 3.208 3.168 -2.011 313 3HE MET 42 3HE MET 42 3.810 3.966 -0.560 314 H LEU 43 H LEU 43 3.445 8.951 -1.367 315 HA LEU 43 HA LEU 43 5.164 10.190 0.467 316 1HB LEU 43 1HB LEU 43 2.814 11.218 -1.115 317 2HB LEU 43 2HB LEU 43 3.724 12.263 -0.040 318 HG LEU 43 HG LEU 43 5.774 11.823 -1.358 319 1HD1 LEU 43 1HD1 LEU 43 3.936 10.300 -3.203 320 2HD1 LEU 43 2HD1 LEU 43 5.235 9.617 -2.226 321 3HD1 LEU 43 3HD1 LEU 43 5.614 10.728 -3.540 322 1HD2 LEU 43 1HD2 LEU 43 5.141 13.132 -3.326 323 2HD2 LEU 43 2HD2 LEU 43 4.409 13.778 -1.858 324 3HD2 LEU 43 3HD2 LEU 43 3.437 12.829 -2.984 325 H GLY 44 H GLY 44 1.752 9.333 0.707 326 1HA GLY 44 1HA GLY 44 1.347 10.792 3.163 327 2HA GLY 44 2HA GLY 44 0.225 9.660 2.417 328 H ILE 45 H ILE 45 2.089 7.469 2.264 329 HA ILE 45 HA ILE 45 1.655 6.398 4.867 330 HB ILE 45 HB ILE 45 2.519 5.369 2.264 331 1HG1 ILE 45 1HG1 ILE 45 0.312 4.936 3.227 332 2HG1 ILE 45 2HG1 ILE 45 1.180 3.422 2.991 333 1HG2 ILE 45 1HG2 ILE 45 3.651 3.354 3.117 334 2HG2 ILE 45 2HG2 ILE 45 3.687 4.076 4.725 335 3HG2 ILE 45 3HG2 ILE 45 4.582 4.824 3.403 336 1HD1 ILE 45 1HD1 ILE 45 -0.013 3.435 5.099 337 2HD1 ILE 45 2HD1 ILE 45 0.850 4.887 5.601 338 3HD1 ILE 45 3HD1 ILE 45 1.726 3.373 5.375 339 H GLU 46 H GLU 46 4.364 7.880 3.263 340 HA GLU 46 HA GLU 46 6.457 7.121 4.930 341 1HB GLU 46 1HB GLU 46 6.779 8.452 2.887 342 2HB GLU 46 2HB GLU 46 5.979 9.825 3.645 343 1HG GLU 46 1HG GLU 46 7.760 9.998 5.281 344 2HG GLU 46 2HG GLU 46 8.544 8.566 4.615 345 H GLU 47 H GLU 47 4.308 9.958 5.259 346 HA GLU 47 HA GLU 47 5.295 10.633 7.846 347 1HB GLU 47 1HB GLU 47 3.394 12.197 7.958 348 2HB GLU 47 2HB GLU 47 4.270 12.338 6.440 349 1HG GLU 47 1HG GLU 47 2.560 11.271 5.227 350 2HG GLU 47 2HG GLU 47 1.783 10.672 6.693 351 H ALA 48 H ALA 48 2.813 8.513 6.663 352 HA ALA 48 HA ALA 48 1.037 8.478 8.789 353 1HB ALA 48 1HB ALA 48 1.731 6.174 6.971 354 2HB ALA 48 2HB ALA 48 0.577 7.459 6.613 355 3HB ALA 48 3HB ALA 48 0.263 6.337 7.938 356 H PHE 49 H PHE 49 3.861 6.276 8.302 357 HA PHE 49 HA PHE 49 3.701 5.797 11.205 358 1HB PHE 49 1HB PHE 49 4.273 3.459 10.957 359 2HB PHE 49 2HB PHE 49 2.806 3.826 10.065 360 HD1 PHE 49 HD1 PHE 49 6.362 2.934 9.781 361 HD2 PHE 49 HD2 PHE 49 2.720 3.595 7.670 362 HE1 PHE 49 HE1 PHE 49 7.324 1.854 7.795 363 HE2 PHE 49 HE2 PHE 49 3.685 2.521 5.677 364 HZ PHE 49 HZ PHE 49 5.988 1.647 5.739 365 H ASP 50 H ASP 50 5.846 6.100 8.400 366 HA ASP 50 HA ASP 50 7.939 7.150 9.923 367 1HB ASP 50 1HB ASP 50 7.984 4.742 10.766 368 2HB ASP 50 2HB ASP 50 8.552 4.288 9.163 369 H ILE 51 H ILE 51 7.903 4.752 7.260 370 HA ILE 51 HA ILE 51 8.885 6.829 5.438 371 HB ILE 51 HB ILE 51 10.632 5.490 4.500 372 1HG1 ILE 51 1HG1 ILE 51 9.650 3.252 4.715 373 2HG1 ILE 51 2HG1 ILE 51 11.290 3.279 5.344 374 1HG2 ILE 51 1HG2 ILE 51 12.222 5.326 6.357 375 2HG2 ILE 51 2HG2 ILE 51 10.890 5.494 7.502 376 3HG2 ILE 51 3HG2 ILE 51 11.284 6.818 6.407 377 1HD1 ILE 51 1HD1 ILE 51 9.955 1.944 6.786 378 2HD1 ILE 51 2HD1 ILE 51 8.732 3.206 6.926 379 3HD1 ILE 51 3HD1 ILE 51 10.330 3.442 7.639 380 H GLU 52 H GLU 52 8.976 5.919 3.139 381 HA GLU 52 HA GLU 52 6.584 4.279 2.667 382 1HB GLU 52 1HB GLU 52 7.032 5.257 0.224 383 2HB GLU 52 2HB GLU 52 6.113 6.139 1.432 384 1HG GLU 52 1HG GLU 52 7.669 7.597 0.283 385 2HG GLU 52 2HG GLU 52 8.072 7.466 1.992 386 H PHE 53 H PHE 53 6.762 2.988 0.542 387 HA PHE 53 HA PHE 53 8.801 1.067 1.015 388 1HB PHE 53 1HB PHE 53 6.745 1.272 -1.195 389 2HB PHE 53 2HB PHE 53 7.794 -0.122 -0.936 390 HD1 PHE 53 HD2 PHE 53 7.784 -0.868 1.697 391 HD2 PHE 53 HD1 PHE 53 4.597 1.015 -0.408 392 HE1 PHE 53 HE2 PHE 53 6.175 -1.785 3.314 393 HE2 PHE 53 HE1 PHE 53 2.987 0.106 1.212 394 HZ PHE 53 HZ PHE 53 3.777 -1.298 3.073 395 HA PRO 54 HA PRO 54 11.907 2.997 -1.486 396 1HB PRO 54 1HB PRO 54 13.789 1.063 -1.308 397 2HB PRO 54 2HB PRO 54 13.354 2.078 0.076 398 1HG PRO 54 1HG PRO 54 12.396 -0.688 -0.606 399 2HG PRO 54 2HG PRO 54 13.006 -0.075 0.946 400 1HD PRO 54 1HD PRO 54 10.367 -0.287 0.443 401 2HD PRO 54 2HD PRO 54 11.026 1.034 1.429 402 H ASP 55 H ASP 55 12.971 2.753 -3.522 403 HA ASP 55 HA ASP 55 11.382 1.672 -5.537 404 1HB ASP 55 1HB ASP 55 13.065 2.315 -7.085 405 2HB ASP 55 2HB ASP 55 13.171 3.477 -5.769 406 H ASN 56 H ASN 56 13.930 0.222 -3.695 407 HA ASN 56 HA ASN 56 14.727 -1.848 -5.373 408 1HB ASN 56 1HB ASN 56 14.650 -1.666 -2.356 409 2HB ASN 56 2HB ASN 56 15.342 -3.045 -3.204 410 1HD2 ASN 56 1HD2 ASN 56 15.738 0.311 -2.386 411 2HD2 ASN 56 2HD2 ASN 56 17.360 0.462 -2.958 412 H LEU 57 H LEU 57 11.849 -1.596 -3.372 413 HA LEU 57 HA LEU 57 11.076 -4.297 -4.291 414 1HB LEU 57 1HB LEU 57 9.824 -4.624 -2.243 415 2HB LEU 57 2HB LEU 57 11.502 -4.278 -1.882 416 HG LEU 57 HG LEU 57 10.628 -1.815 -1.538 417 1HD1 LEU 57 1HD1 LEU 57 8.359 -2.155 -2.315 418 2HD1 LEU 57 2HD1 LEU 57 8.349 -1.764 -0.596 419 3HD1 LEU 57 3HD1 LEU 57 8.108 -3.430 -1.123 420 1HD2 LEU 57 1HD2 LEU 57 10.097 -4.016 0.460 421 2HD2 LEU 57 2HD2 LEU 57 10.250 -2.298 0.828 422 3HD2 LEU 57 3HD2 LEU 57 11.636 -3.191 0.203 423 H LEU 58 H LEU 58 10.500 -1.120 -4.744 424 HA LEU 58 HA LEU 58 7.668 -0.973 -4.672 425 1HB LEU 58 1HB LEU 58 9.459 0.925 -4.765 426 2HB LEU 58 2HB LEU 58 9.377 0.704 -6.500 427 HG LEU 58 HG LEU 58 6.985 1.405 -4.777 428 1HD1 LEU 58 1HD1 LEU 58 7.232 3.684 -5.615 429 2HD1 LEU 58 2HD1 LEU 58 8.718 3.226 -6.449 430 3HD1 LEU 58 3HD1 LEU 58 8.648 3.189 -4.687 431 1HD2 LEU 58 1HD2 LEU 58 5.939 2.032 -6.907 432 2HD2 LEU 58 2HD2 LEU 58 6.379 0.326 -6.882 433 3HD2 LEU 58 3HD2 LEU 58 7.371 1.478 -7.775 434 H ASN 59 H ASN 59 6.962 -2.859 -5.674 435 HA ASN 59 HA ASN 59 6.719 -2.668 -8.554 436 1HB ASN 59 1HB ASN 59 7.443 -5.012 -8.935 437 2HB ASN 59 2HB ASN 59 8.755 -3.990 -8.365 438 1HD2 ASN 59 1HD2 ASN 59 9.989 -5.627 -7.526 439 2HD2 ASN 59 2HD2 ASN 59 9.518 -6.562 -6.151 440 H ARG 60 H ARG 60 5.072 -4.118 -9.401 441 HA ARG 60 HA ARG 60 2.732 -4.023 -7.874 442 1HB ARG 60 1HB ARG 60 3.337 -5.717 -10.309 443 2HB ARG 60 2HB ARG 60 1.729 -5.408 -9.672 444 1HG ARG 60 1HG ARG 60 3.601 -3.275 -10.690 445 2HG ARG 60 2HG ARG 60 2.310 -4.015 -11.636 446 1HD ARG 60 1HD ARG 60 0.652 -3.181 -10.051 447 2HD ARG 60 2HD ARG 60 1.932 -2.484 -9.057 448 HE ARG 60 HE ARG 60 2.452 -1.134 -11.166 449 1HH1 ARG 60 1HH1 ARG 60 -0.777 -2.172 -10.297 450 2HH1 ARG 60 2HH1 ARG 60 -1.553 -0.823 -11.054 451 1HH2 ARG 60 1HH2 ARG 60 1.434 0.620 -12.199 452 2HH2 ARG 60 2HH2 ARG 60 -0.296 0.755 -12.170 453 H LYS 61 H LYS 61 5.168 -6.484 -8.147 454 HA LYS 61 HA LYS 61 3.810 -8.766 -7.284 455 1HB LYS 61 1HB LYS 61 6.609 -8.142 -6.352 456 2HB LYS 61 2HB LYS 61 5.925 -9.698 -6.791 457 1HG LYS 61 1HG LYS 61 6.285 -7.547 -8.845 458 2HG LYS 61 2HG LYS 61 7.636 -8.562 -8.354 459 1HD LYS 61 1HD LYS 61 6.731 -9.579 -10.296 460 2HD LYS 61 2HD LYS 61 6.194 -10.567 -8.941 461 1HE LYS 61 1HE LYS 61 4.004 -9.475 -9.009 462 2HE LYS 61 2HE LYS 61 4.546 -8.460 -10.345 463 1HZ LYS 61 1HZ LYS 61 3.235 -10.352 -11.102 464 2HZ LYS 61 2HZ LYS 61 4.342 -11.422 -10.407 465 3HZ LYS 61 3HZ LYS 61 4.818 -10.436 -11.698 466 H SER 62 H SER 62 5.636 -6.401 -5.400 467 HA SER 62 HA SER 62 5.103 -7.474 -2.862 468 1HB SER 62 1HB SER 62 5.868 -4.661 -3.682 469 2HB SER 62 2HB SER 62 5.988 -5.310 -2.044 470 HG SER 62 HG SER 62 7.699 -5.548 -4.112 471 H PHE 63 H PHE 63 3.616 -4.736 -4.603 472 HA PHE 63 HA PHE 63 1.756 -4.085 -2.579 473 1HB PHE 63 1HB PHE 63 1.742 -3.512 -5.549 474 2HB PHE 63 2HB PHE 63 0.540 -2.866 -4.436 475 HD1 PHE 63 HD2 PHE 63 1.312 -1.370 -2.555 476 HD2 PHE 63 HD1 PHE 63 3.846 -2.475 -5.795 477 HE1 PHE 63 HE2 PHE 63 2.798 0.518 -2.034 478 HE2 PHE 63 HE1 PHE 63 5.338 -0.590 -5.275 479 HZ PHE 63 HZ PHE 63 4.814 0.912 -3.395 480 H ALA 64 H ALA 64 1.774 -6.625 -4.901 481 HA ALA 64 HA ALA 64 -1.016 -7.119 -5.036 482 1HB ALA 64 1HB ALA 64 1.290 -9.028 -5.443 483 2HB ALA 64 2HB ALA 64 0.547 -8.022 -6.686 484 3HB ALA 64 3HB ALA 64 -0.384 -9.312 -5.923 485 H SER 65 H SER 65 1.379 -7.732 -2.636 486 HA SER 65 HA SER 65 -0.572 -9.260 -1.062 487 1HB SER 65 1HB SER 65 1.384 -10.672 -0.241 488 2HB SER 65 2HB SER 65 0.876 -10.962 -1.905 489 HG SER 65 HG SER 65 2.607 -9.615 -2.579 490 H ILE 66 H ILE 66 -1.030 -7.466 0.191 491 HA ILE 66 HA ILE 66 0.736 -5.606 1.225 492 HB ILE 66 HB ILE 66 -1.855 -6.601 2.422 493 1HG1 ILE 66 1HG1 ILE 66 -2.076 -5.563 0.207 494 2HG1 ILE 66 2HG1 ILE 66 -2.803 -4.549 1.448 495 1HG2 ILE 66 1HG2 ILE 66 -1.873 -4.516 3.748 496 2HG2 ILE 66 2HG2 ILE 66 -0.235 -4.169 3.191 497 3HG2 ILE 66 3HG2 ILE 66 -0.544 -5.587 4.192 498 1HD1 ILE 66 1HD1 ILE 66 -0.105 -4.126 0.175 499 2HD1 ILE 66 2HD1 ILE 66 -0.834 -3.105 1.415 500 3HD1 ILE 66 3HD1 ILE 66 -1.581 -3.227 -0.178 501 H LYS 67 H LYS 67 -0.297 -8.677 2.700 502 HA LYS 67 HA LYS 67 0.968 -8.315 5.168 503 1HB LYS 67 1HB LYS 67 0.763 -10.710 5.508 504 2HB LYS 67 2HB LYS 67 -0.704 -10.082 4.776 505 1HG LYS 67 1HG LYS 67 1.371 -11.183 2.953 506 2HG LYS 67 2HG LYS 67 0.476 -12.323 3.956 507 1HD LYS 67 1HD LYS 67 -1.627 -11.540 3.043 508 2HD LYS 67 2HD LYS 67 -0.799 -10.294 2.110 509 1HE LYS 67 1HE LYS 67 0.200 -11.880 0.679 510 2HE LYS 67 2HE LYS 67 -0.153 -13.215 1.774 511 1HZ LYS 67 1HZ LYS 67 -2.470 -13.024 1.265 512 2HZ LYS 67 2HZ LYS 67 -1.612 -13.161 -0.186 513 3HZ LYS 67 3HZ LYS 67 -2.211 -11.656 0.305 514 H ALA 68 H ALA 68 2.275 -9.280 2.080 515 HA ALA 68 HA ALA 68 4.737 -10.309 3.197 516 1HB ALA 68 1HB ALA 68 5.438 -10.579 0.870 517 2HB ALA 68 2HB ALA 68 4.006 -9.701 0.330 518 3HB ALA 68 3HB ALA 68 3.832 -11.262 1.133 519 H ILE 69 H ILE 69 3.680 -7.411 1.446 520 HA ILE 69 HA ILE 69 6.275 -6.277 1.251 521 HB ILE 69 HB ILE 69 4.367 -5.696 -0.258 522 1HG1 ILE 69 1HG1 ILE 69 5.644 -3.331 1.146 523 2HG1 ILE 69 2HG1 ILE 69 6.400 -4.290 -0.123 524 1HG2 ILE 69 1HG2 ILE 69 2.737 -4.011 0.459 525 2HG2 ILE 69 2HG2 ILE 69 3.396 -4.067 2.095 526 3HG2 ILE 69 3HG2 ILE 69 2.603 -5.487 1.413 527 1HD1 ILE 69 1HD1 ILE 69 3.931 -2.593 -0.408 528 2HD1 ILE 69 2HD1 ILE 69 4.647 -3.580 -1.682 529 3HD1 ILE 69 3HD1 ILE 69 5.543 -2.216 -1.013 530 H GLU 70 H GLU 70 3.696 -6.019 3.657 531 HA GLU 70 HA GLU 70 4.930 -3.867 5.080 532 1HB GLU 70 1HB GLU 70 3.267 -4.195 6.776 533 2HB GLU 70 2HB GLU 70 2.496 -4.362 5.210 534 1HG GLU 70 1HG GLU 70 1.530 -6.095 6.329 535 2HG GLU 70 2HG GLU 70 2.913 -6.923 5.617 536 H ASP 71 H ASP 71 5.059 -7.371 5.262 537 HA ASP 71 HA ASP 71 6.604 -7.623 7.596 538 1HB ASP 71 1HB ASP 71 5.588 -9.570 6.523 539 2HB ASP 71 2HB ASP 71 6.588 -9.337 5.093 540 H THR 72 H THR 72 7.403 -6.801 4.309 541 HA THR 72 HA THR 72 10.229 -7.051 4.561 542 HB THR 72 HB THR 72 8.716 -5.375 2.541 543 HG1 THR 72 HG1 THR 72 8.318 -7.870 2.896 544 1HG2 THR 72 1HG2 THR 72 11.423 -6.728 2.422 545 2HG2 THR 72 2HG2 THR 72 11.137 -4.992 2.564 546 3HG2 THR 72 3HG2 THR 72 10.656 -5.848 1.100 547 H VAL 73 H VAL 73 7.961 -4.296 4.776 548 HA VAL 73 HA VAL 73 9.984 -2.334 5.070 549 HB VAL 73 HB VAL 73 7.660 -1.773 4.395 550 1HG1 VAL 73 1HG1 VAL 73 5.930 -1.479 6.110 551 2HG1 VAL 73 2HG1 VAL 73 6.996 -2.219 7.303 552 3HG1 VAL 73 3HG1 VAL 73 6.413 -3.166 5.936 553 1HG2 VAL 73 1HG2 VAL 73 7.524 0.340 5.637 554 2HG2 VAL 73 2HG2 VAL 73 9.180 -0.023 5.151 555 3HG2 VAL 73 3HG2 VAL 73 8.675 -0.283 6.821 556 H LYS 74 H LYS 74 8.389 -4.460 7.349 557 HA LYS 74 HA LYS 74 9.184 -3.331 9.773 558 1HB LYS 74 1HB LYS 74 8.993 -6.250 8.973 559 2HB LYS 74 2HB LYS 74 9.227 -5.704 10.628 560 1HG LYS 74 1HG LYS 74 7.084 -4.626 10.645 561 2HG LYS 74 2HG LYS 74 6.864 -4.934 8.923 562 1HD LYS 74 1HD LYS 74 5.561 -6.508 10.253 563 2HD LYS 74 2HD LYS 74 6.827 -7.350 9.360 564 1HE LYS 74 1HE LYS 74 6.668 -8.217 11.622 565 2HE LYS 74 2HE LYS 74 8.212 -7.398 11.393 566 1HZ LYS 74 1HZ LYS 74 5.840 -6.155 12.673 567 2HZ LYS 74 2HZ LYS 74 7.402 -5.512 12.589 568 3HZ LYS 74 3HZ LYS 74 7.101 -6.886 13.526 569 H LEU 75 H LEU 75 10.978 -5.314 7.475 570 HA LEU 75 HA LEU 75 13.352 -5.592 8.997 571 1HB LEU 75 1HB LEU 75 12.986 -5.644 5.989 572 2HB LEU 75 2HB LEU 75 14.408 -6.205 6.849 573 HG LEU 75 HG LEU 75 11.643 -7.419 7.080 574 1HD1 LEU 75 1HD1 LEU 75 14.103 -8.425 5.649 575 2HD1 LEU 75 2HD1 LEU 75 12.629 -7.824 4.889 576 3HD1 LEU 75 3HD1 LEU 75 12.586 -9.306 5.843 577 1HD2 LEU 75 1HD2 LEU 75 14.295 -8.312 8.227 578 2HD2 LEU 75 2HD2 LEU 75 12.779 -9.212 8.313 579 3HD2 LEU 75 3HD2 LEU 75 12.930 -7.662 9.139 580 H ILE 76 H ILE 76 12.249 -3.207 6.636 581 HA ILE 76 HA ILE 76 14.565 -1.657 6.420 582 HB ILE 76 HB ILE 76 11.693 -0.678 6.415 583 1HG1 ILE 76 1HG1 ILE 76 13.468 -1.502 4.095 584 2HG1 ILE 76 2HG1 ILE 76 12.130 -2.449 4.738 585 1HG2 ILE 76 1HG2 ILE 76 12.557 1.229 5.115 586 2HG2 ILE 76 2HG2 ILE 76 14.199 0.626 5.336 587 3HG2 ILE 76 3HG2 ILE 76 13.261 1.158 6.731 588 1HD1 ILE 76 1HD1 ILE 76 10.575 -0.664 4.104 589 2HD1 ILE 76 2HD1 ILE 76 11.471 -1.293 2.721 590 3HD1 ILE 76 3HD1 ILE 76 11.921 0.256 3.430 591 H LEU 77 H LEU 77 11.834 -1.381 8.669 592 HA LEU 77 HA LEU 77 12.755 0.782 10.176 593 1HB LEU 77 1HB LEU 77 11.017 -1.545 11.012 594 2HB LEU 77 2HB LEU 77 11.231 -0.080 11.954 595 HG LEU 77 HG LEU 77 9.992 -0.227 9.196 596 1HD1 LEU 77 1HD1 LEU 77 8.553 -1.207 10.904 597 2HD1 LEU 77 2HD1 LEU 77 7.900 0.328 10.331 598 3HD1 LEU 77 3HD1 LEU 77 8.718 0.246 11.893 599 1HD2 LEU 77 1HD2 LEU 77 10.306 2.113 11.081 600 2HD2 LEU 77 2HD2 LEU 77 9.406 2.126 9.565 601 3HD2 LEU 77 3HD2 LEU 77 11.153 1.887 9.551 602 H ASP 78 H ASP 78 13.571 -2.607 10.316 603 HA ASP 78 HA ASP 78 14.845 -2.597 12.857 604 1HB ASP 78 1HB ASP 78 14.149 -4.699 11.907 605 2HB ASP 78 2HB ASP 78 15.107 -4.423 10.456 606 H GLY 79 H GLY 79 15.998 -2.128 9.544 607 1HA GLY 79 1HA GLY 79 18.720 -1.642 10.572 608 2HA GLY 79 2HA GLY 79 18.313 -2.051 8.914 609 H LYS 80 H LYS 80 16.994 0.449 11.074 610 HA LYS 80 HA LYS 80 17.401 2.458 8.992 611 1HB LYS 80 1HB LYS 80 15.987 2.548 11.649 612 2HB LYS 80 2HB LYS 80 16.202 3.957 10.618 613 1HG LYS 80 1HG LYS 80 15.067 2.481 8.803 614 2HG LYS 80 2HG LYS 80 14.503 1.538 10.187 615 1HD LYS 80 1HD LYS 80 14.099 4.489 9.746 616 2HD LYS 80 2HD LYS 80 12.869 3.237 9.566 617 1HE LYS 80 1HE LYS 80 12.938 2.745 11.922 618 2HE LYS 80 2HE LYS 80 14.329 3.803 12.151 619 1HZ LYS 80 1HZ LYS 80 12.298 4.865 12.877 620 2HZ LYS 80 2HZ LYS 80 11.610 4.672 11.346 621 3HZ LYS 80 3HZ LYS 80 12.942 5.688 11.550 622 H GLU 81 H GLU 81 18.024 2.234 12.484 623 HA GLU 81 HA GLU 81 19.479 4.666 12.557 624 1HB GLU 81 1HB GLU 81 19.355 2.460 14.627 625 2HB GLU 81 2HB GLU 81 19.859 4.123 14.908 626 1HG GLU 81 1HG GLU 81 17.603 4.895 14.313 627 2HG GLU 81 2HG GLU 81 17.107 3.223 14.064 628 H ALA 82 H ALA 82 20.378 1.513 11.711 629 HA ALA 82 HA ALA 82 23.240 2.108 12.135 630 1HB ALA 82 1HB ALA 82 22.459 0.104 13.300 631 2HB ALA 82 2HB ALA 82 23.616 -0.306 12.033 632 3HB ALA 82 3HB ALA 82 21.892 -0.572 11.772 633 H ALA 83 H ALA 83 21.228 2.733 9.840 634 HA ALA 83 HA ALA 83 22.515 1.351 7.604 635 1HB ALA 83 1HB ALA 83 20.080 1.497 7.579 636 2HB ALA 83 2HB ALA 83 20.773 2.377 6.219 637 3HB ALA 83 3HB ALA 83 20.170 3.258 7.622 Start of MODEL 17 1 HA MET 1 HA MET 1 1.788 0.836 9.699 2 1HB MET 1 1HB MET 1 3.384 -1.680 10.105 3 2HB MET 1 2HB MET 1 3.478 -0.807 8.581 4 1HG MET 1 1HG MET 1 4.503 1.031 9.539 5 2HG MET 1 2HG MET 1 3.917 0.644 11.155 6 1HE MET 1 1HE MET 1 7.334 -1.597 9.007 7 2HE MET 1 2HE MET 1 6.479 -0.213 8.327 8 3HE MET 1 3HE MET 1 5.645 -1.755 8.523 9 H ASN 2 H ASN 2 1.110 -2.694 9.573 10 HA ASN 2 HA ASN 2 0.564 -2.762 6.837 11 1HB ASN 2 1HB ASN 2 -0.450 -4.929 7.194 12 2HB ASN 2 2HB ASN 2 0.963 -4.784 8.228 13 1HD2 ASN 2 1HD2 ASN 2 -1.405 -6.500 8.424 14 2HD2 ASN 2 2HD2 ASN 2 -2.080 -6.195 9.985 15 H ALA 3 H ALA 3 -1.674 -2.302 9.558 16 HA ALA 3 HA ALA 3 -4.024 -2.097 7.986 17 1HB ALA 3 1HB ALA 3 -5.049 -1.124 9.986 18 2HB ALA 3 2HB ALA 3 -3.454 -0.937 10.718 19 3HB ALA 3 3HB ALA 3 -4.093 -2.549 10.393 20 H THR 4 H THR 4 -1.827 0.309 9.353 21 HA THR 4 HA THR 4 -2.934 2.662 8.439 22 HB THR 4 HB THR 4 -0.003 1.909 8.629 23 HG1 THR 4 HG1 THR 4 -1.841 2.996 10.517 24 1HG2 THR 4 1HG2 THR 4 0.428 4.285 8.963 25 2HG2 THR 4 2HG2 THR 4 -1.282 4.646 8.710 26 3HG2 THR 4 3HG2 THR 4 -0.310 4.001 7.386 27 H ILE 5 H ILE 5 -0.903 0.345 6.719 28 HA ILE 5 HA ILE 5 -0.486 1.936 4.392 29 HB ILE 5 HB ILE 5 -0.163 -1.043 4.835 30 1HG1 ILE 5 1HG1 ILE 5 1.973 1.100 4.660 31 2HG1 ILE 5 2HG1 ILE 5 1.280 0.561 6.183 32 1HG2 ILE 5 1HG2 ILE 5 -0.469 -0.593 2.461 33 2HG2 ILE 5 2HG2 ILE 5 1.207 -1.033 2.787 34 3HG2 ILE 5 3HG2 ILE 5 0.776 0.655 2.516 35 1HD1 ILE 5 1HD1 ILE 5 2.082 -1.706 5.738 36 2HD1 ILE 5 2HD1 ILE 5 3.393 -0.526 5.775 37 3HD1 ILE 5 3HD1 ILE 5 2.807 -1.143 4.229 38 H ARG 6 H ARG 6 -2.585 -0.876 5.063 39 HA ARG 6 HA ARG 6 -3.825 -0.883 2.518 40 1HB ARG 6 1HB ARG 6 -5.396 -2.444 3.442 41 2HB ARG 6 2HB ARG 6 -3.833 -2.796 4.166 42 1HG ARG 6 1HG ARG 6 -4.534 -1.495 6.168 43 2HG ARG 6 2HG ARG 6 -6.128 -1.313 5.439 44 1HD ARG 6 1HD ARG 6 -4.784 -3.883 6.278 45 2HD ARG 6 2HD ARG 6 -6.183 -3.121 7.030 46 HE ARG 6 HE ARG 6 -6.198 -4.891 4.829 47 1HH1 ARG 6 1HH1 ARG 6 -7.811 -1.997 5.991 48 2HH1 ARG 6 2HH1 ARG 6 -9.282 -2.334 5.136 49 1HH2 ARG 6 1HH2 ARG 6 -8.166 -5.334 3.746 50 2HH2 ARG 6 2HH2 ARG 6 -9.485 -4.216 3.873 51 H GLU 7 H GLU 7 -4.313 0.975 5.395 52 HA GLU 7 HA GLU 7 -6.969 1.847 4.790 53 1HB GLU 7 1HB GLU 7 -6.207 1.763 7.094 54 2HB GLU 7 2HB GLU 7 -4.926 2.917 6.744 55 1HG GLU 7 1HG GLU 7 -6.518 4.670 6.370 56 2HG GLU 7 2HG GLU 7 -7.863 3.536 6.480 57 H ILE 8 H ILE 8 -3.719 3.183 4.242 58 HA ILE 8 HA ILE 8 -4.521 5.817 3.747 59 HB ILE 8 HB ILE 8 -2.117 5.093 4.045 60 1HG1 ILE 8 1HG1 ILE 8 -2.857 6.844 1.691 61 2HG1 ILE 8 2HG1 ILE 8 -2.693 7.358 3.363 62 1HG2 ILE 8 1HG2 ILE 8 -2.382 4.365 1.126 63 2HG2 ILE 8 2HG2 ILE 8 -2.082 3.247 2.456 64 3HG2 ILE 8 3HG2 ILE 8 -0.871 4.455 2.030 65 1HD1 ILE 8 1HD1 ILE 8 -0.487 6.363 1.585 66 2HD1 ILE 8 2HD1 ILE 8 -0.308 6.866 3.267 67 3HD1 ILE 8 3HD1 ILE 8 -0.793 8.038 2.041 68 H LEU 9 H LEU 9 -4.520 3.004 1.641 69 HA LEU 9 HA LEU 9 -4.834 4.262 -0.837 70 1HB LEU 9 1HB LEU 9 -5.699 1.591 0.229 71 2HB LEU 9 2HB LEU 9 -6.207 2.094 -1.371 72 HG LEU 9 HG LEU 9 -4.249 0.665 -1.515 73 1HD1 LEU 9 1HD1 LEU 9 -2.794 2.105 -2.848 74 2HD1 LEU 9 2HD1 LEU 9 -3.583 3.533 -2.178 75 3HD1 LEU 9 3HD1 LEU 9 -4.495 2.414 -3.189 76 1HD2 LEU 9 1HD2 LEU 9 -2.837 2.738 0.165 77 2HD2 LEU 9 2HD2 LEU 9 -2.090 1.332 -0.594 78 3HD2 LEU 9 3HD2 LEU 9 -3.285 1.112 0.684 79 H ALA 10 H ALA 10 -7.084 3.814 1.769 80 HA ALA 10 HA ALA 10 -9.445 4.367 0.230 81 1HB ALA 10 1HB ALA 10 -10.595 4.385 2.383 82 2HB ALA 10 2HB ALA 10 -9.045 4.382 3.225 83 3HB ALA 10 3HB ALA 10 -9.525 2.989 2.257 84 H LYS 11 H LYS 11 -7.196 6.265 2.175 85 HA LYS 11 HA LYS 11 -9.013 8.578 2.010 86 1HB LYS 11 1HB LYS 11 -7.671 9.492 3.910 87 2HB LYS 11 2HB LYS 11 -8.515 7.994 4.269 88 1HG LYS 11 1HG LYS 11 -6.338 6.798 3.781 89 2HG LYS 11 2HG LYS 11 -5.568 8.384 3.778 90 1HD LYS 11 1HD LYS 11 -7.015 7.032 6.063 91 2HD LYS 11 2HD LYS 11 -5.299 7.422 5.963 92 1HE LYS 11 1HE LYS 11 -7.550 9.440 6.075 93 2HE LYS 11 2HE LYS 11 -6.539 8.963 7.437 94 1HZ LYS 11 1HZ LYS 11 -5.634 10.341 4.968 95 2HZ LYS 11 2HZ LYS 11 -4.608 9.809 6.203 96 3HZ LYS 11 3HZ LYS 11 -5.751 11.017 6.514 97 H PHE 12 H PHE 12 -6.068 7.443 0.741 98 HA PHE 12 HA PHE 12 -5.494 10.125 -0.353 99 1HB PHE 12 1HB PHE 12 -3.580 8.094 0.755 100 2HB PHE 12 2HB PHE 12 -3.047 9.202 -0.495 101 HD1 PHE 12 HD1 PHE 12 -2.818 11.581 -0.037 102 HD2 PHE 12 HD2 PHE 12 -4.033 8.862 3.008 103 HE1 PHE 12 HE1 PHE 12 -2.313 13.273 1.674 104 HE2 PHE 12 HE2 PHE 12 -3.535 10.555 4.720 105 HZ PHE 12 HZ PHE 12 -2.675 12.763 4.054 106 H GLY 13 H GLY 13 -5.472 6.649 -0.814 107 1HA GLY 13 1HA GLY 13 -4.301 6.633 -3.394 108 2HA GLY 13 2HA GLY 13 -5.215 5.325 -2.662 109 H GLN 14 H GLN 14 -5.127 7.223 -5.277 110 HA GLN 14 HA GLN 14 -7.956 7.722 -5.591 111 1HB GLN 14 1HB GLN 14 -6.290 9.199 -6.659 112 2HB GLN 14 2HB GLN 14 -5.704 7.848 -7.620 113 1HG GLN 14 1HG GLN 14 -7.161 9.323 -8.912 114 2HG GLN 14 2HG GLN 14 -7.837 7.702 -8.771 115 1HE2 GLN 14 1HE2 GLN 14 -9.928 8.415 -9.178 116 2HE2 GLN 14 2HE2 GLN 14 -10.842 9.315 -8.021 117 H LEU 15 H LEU 15 -8.393 5.443 -5.005 118 HA LEU 15 HA LEU 15 -8.030 3.525 -7.184 119 1HB LEU 15 1HB LEU 15 -7.570 2.974 -4.728 120 2HB LEU 15 2HB LEU 15 -9.304 3.045 -4.483 121 HG LEU 15 HG LEU 15 -9.586 1.190 -6.121 122 1HD1 LEU 15 1HD1 LEU 15 -7.569 1.558 -7.444 123 2HD1 LEU 15 2HD1 LEU 15 -7.633 -0.093 -6.830 124 3HD1 LEU 15 3HD1 LEU 15 -6.569 1.090 -6.067 125 1HD2 LEU 15 1HD2 LEU 15 -7.716 0.586 -3.823 126 2HD2 LEU 15 2HD2 LEU 15 -8.719 -0.590 -4.674 127 3HD2 LEU 15 3HD2 LEU 15 -9.474 0.695 -3.732 128 HA PRO 16 HA PRO 16 -12.171 4.556 -8.519 129 1HB PRO 16 1HB PRO 16 -12.422 2.724 -10.489 130 2HB PRO 16 2HB PRO 16 -11.365 4.133 -10.650 131 1HG PRO 16 1HG PRO 16 -10.674 1.296 -10.004 132 2HG PRO 16 2HG PRO 16 -9.810 2.453 -11.034 133 1HD PRO 16 1HD PRO 16 -9.109 1.843 -8.436 134 2HD PRO 16 2HD PRO 16 -8.685 3.363 -9.255 135 H THR 17 H THR 17 -11.342 2.052 -6.665 136 HA THR 17 HA THR 17 -14.008 0.875 -6.565 137 HB THR 17 HB THR 17 -11.346 -0.542 -6.762 138 HG1 THR 17 HG1 THR 17 -11.912 -0.682 -8.775 139 1HG2 THR 17 1HG2 THR 17 -14.042 -1.746 -6.193 140 2HG2 THR 17 2HG2 THR 17 -12.693 -1.627 -5.065 141 3HG2 THR 17 3HG2 THR 17 -12.553 -2.638 -6.502 142 HA PRO 18 HA PRO 18 -13.360 1.670 -2.202 143 1HB PRO 18 1HB PRO 18 -15.091 -0.208 -1.164 144 2HB PRO 18 2HB PRO 18 -15.596 1.359 -1.804 145 1HG PRO 18 1HG PRO 18 -15.636 -1.329 -3.124 146 2HG PRO 18 2HG PRO 18 -16.850 -0.035 -3.173 147 1HD PRO 18 1HD PRO 18 -15.136 -0.462 -5.211 148 2HD PRO 18 2HD PRO 18 -15.683 1.169 -4.778 149 H VAL 19 H VAL 19 -11.713 1.035 -0.961 150 HA VAL 19 HA VAL 19 -10.162 -1.244 -1.423 151 HB VAL 19 HB VAL 19 -10.309 0.386 1.133 152 1HG1 VAL 19 1HG1 VAL 19 -8.110 -1.406 0.083 153 2HG1 VAL 19 2HG1 VAL 19 -9.144 -1.727 1.474 154 3HG1 VAL 19 3HG1 VAL 19 -8.005 -0.383 1.517 155 1HG2 VAL 19 1HG2 VAL 19 -8.562 0.743 -1.310 156 2HG2 VAL 19 2HG2 VAL 19 -8.420 1.655 0.194 157 3HG2 VAL 19 3HG2 VAL 19 -9.872 1.806 -0.794 158 H ASP 20 H ASP 20 -12.995 -0.812 0.521 159 HA ASP 20 HA ASP 20 -12.745 -2.880 2.367 160 1HB ASP 20 1HB ASP 20 -14.520 -1.153 2.408 161 2HB ASP 20 2HB ASP 20 -15.289 -1.926 1.027 162 H THR 21 H THR 21 -13.259 -3.074 -1.043 163 HA THR 21 HA THR 21 -14.418 -5.726 -0.991 164 HB THR 21 HB THR 21 -14.873 -3.989 -2.808 165 HG1 THR 21 HG1 THR 21 -14.957 -6.541 -2.893 166 1HG2 THR 21 1HG2 THR 21 -12.524 -3.337 -3.216 167 2HG2 THR 21 2HG2 THR 21 -13.317 -3.901 -4.687 168 3HG2 THR 21 3HG2 THR 21 -12.193 -4.955 -3.830 169 H ILE 22 H ILE 22 -11.239 -4.340 -1.129 170 HA ILE 22 HA ILE 22 -10.060 -6.951 -1.807 171 HB ILE 22 HB ILE 22 -7.909 -5.714 -2.062 172 1HG1 ILE 22 1HG1 ILE 22 -9.649 -3.261 -1.684 173 2HG1 ILE 22 2HG1 ILE 22 -8.362 -3.801 -0.611 174 1HG2 ILE 22 1HG2 ILE 22 -8.463 -4.660 -4.211 175 2HG2 ILE 22 2HG2 ILE 22 -10.176 -4.716 -3.790 176 3HG2 ILE 22 3HG2 ILE 22 -9.273 -6.216 -4.011 177 1HD1 ILE 22 1HD1 ILE 22 -8.030 -2.823 -3.440 178 2HD1 ILE 22 2HD1 ILE 22 -6.730 -3.411 -2.402 179 3HD1 ILE 22 3HD1 ILE 22 -7.615 -1.951 -1.964 180 H ALA 23 H ALA 23 -7.724 -7.030 -0.560 181 HA ALA 23 HA ALA 23 -7.917 -6.335 2.220 182 1HB ALA 23 1HB ALA 23 -8.269 -9.243 1.465 183 2HB ALA 23 2HB ALA 23 -9.528 -8.196 2.119 184 3HB ALA 23 3HB ALA 23 -8.120 -8.599 3.101 185 H ASP 24 H ASP 24 -6.176 -7.645 3.477 186 HA ASP 24 HA ASP 24 -3.665 -7.146 2.318 187 1HB ASP 24 1HB ASP 24 -4.330 -8.970 4.653 188 2HB ASP 24 2HB ASP 24 -2.738 -8.321 4.279 189 H GLU 25 H GLU 25 -5.654 -9.995 2.578 190 HA GLU 25 HA GLU 25 -3.681 -11.846 1.592 191 1HB GLU 25 1HB GLU 25 -6.680 -12.158 1.868 192 2HB GLU 25 2HB GLU 25 -5.514 -13.459 1.656 193 1HG GLU 25 1HG GLU 25 -4.656 -13.198 3.821 194 2HG GLU 25 2HG GLU 25 -5.388 -11.603 4.013 195 H ALA 26 H ALA 26 -5.714 -9.577 0.130 196 HA ALA 26 HA ALA 26 -6.165 -11.184 -2.282 197 1HB ALA 26 1HB ALA 26 -7.366 -8.530 -1.485 198 2HB ALA 26 2HB ALA 26 -8.123 -10.108 -1.264 199 3HB ALA 26 3HB ALA 26 -7.814 -9.498 -2.889 200 H ASP 27 H ASP 27 -6.102 -9.877 -4.357 201 HA ASP 27 HA ASP 27 -3.505 -8.564 -4.534 202 1HB ASP 27 1HB ASP 27 -5.430 -9.475 -6.694 203 2HB ASP 27 2HB ASP 27 -3.842 -8.772 -6.990 204 H LEU 28 H LEU 28 -3.464 -6.443 -4.220 205 HA LEU 28 HA LEU 28 -5.791 -4.848 -4.128 206 1HB LEU 28 1HB LEU 28 -2.865 -4.118 -4.133 207 2HB LEU 28 2HB LEU 28 -4.136 -2.920 -3.991 208 HG LEU 28 HG LEU 28 -4.933 -4.120 -1.923 209 1HD1 LEU 28 1HD1 LEU 28 -2.310 -5.589 -2.189 210 2HD1 LEU 28 2HD1 LEU 28 -3.920 -6.298 -2.322 211 3HD1 LEU 28 3HD1 LEU 28 -3.379 -5.623 -0.785 212 1HD2 LEU 28 1HD2 LEU 28 -3.607 -2.078 -1.803 213 2HD2 LEU 28 2HD2 LEU 28 -2.120 -3.026 -1.870 214 3HD2 LEU 28 3HD2 LEU 28 -3.202 -3.175 -0.483 215 H TYR 29 H TYR 29 -3.337 -5.281 -6.620 216 HA TYR 29 HA TYR 29 -4.044 -3.084 -8.217 217 1HB TYR 29 1HB TYR 29 -2.865 -4.266 -10.058 218 2HB TYR 29 2HB TYR 29 -1.931 -4.185 -8.573 219 HD1 TYR 29 HD2 TYR 29 -3.771 -6.415 -10.855 220 HD2 TYR 29 HD1 TYR 29 -1.374 -6.193 -7.340 221 HE1 TYR 29 HE2 TYR 29 -3.420 -8.847 -10.943 222 HE2 TYR 29 HE1 TYR 29 -1.018 -8.622 -7.425 223 HH TYR 29 HH TYR 29 -2.077 -10.605 -8.341 224 H ALA 30 H ALA 30 -5.570 -6.147 -7.786 225 HA ALA 30 HA ALA 30 -6.948 -6.389 -10.223 226 1HB ALA 30 1HB ALA 30 -8.431 -7.920 -9.034 227 2HB ALA 30 2HB ALA 30 -7.809 -7.345 -7.488 228 3HB ALA 30 3HB ALA 30 -6.749 -8.216 -8.594 229 H ALA 31 H ALA 31 -7.536 -4.423 -7.402 230 HA ALA 31 HA ALA 31 -10.257 -3.761 -8.018 231 1HB ALA 31 1HB ALA 31 -9.393 -3.623 -5.736 232 2HB ALA 31 2HB ALA 31 -10.022 -2.066 -6.269 233 3HB ALA 31 3HB ALA 31 -8.281 -2.345 -6.224 234 H GLY 32 H GLY 32 -7.297 -2.854 -9.328 235 1HA GLY 32 1HA GLY 32 -7.214 -1.536 -11.330 236 2HA GLY 32 2HA GLY 32 -8.539 -0.563 -10.708 237 H LEU 33 H LEU 33 -5.541 -1.579 -9.112 238 HA LEU 33 HA LEU 33 -5.037 0.904 -7.918 239 1HB LEU 33 1HB LEU 33 -4.051 -1.229 -7.155 240 2HB LEU 33 2HB LEU 33 -3.063 -1.283 -8.602 241 HG LEU 33 HG LEU 33 -1.890 0.766 -7.880 242 1HD1 LEU 33 1HD1 LEU 33 -2.204 1.628 -5.612 243 2HD1 LEU 33 2HD1 LEU 33 -3.554 0.518 -5.373 244 3HD1 LEU 33 3HD1 LEU 33 -3.667 1.801 -6.580 245 1HD2 LEU 33 1HD2 LEU 33 -0.963 -1.415 -7.302 246 2HD2 LEU 33 2HD2 LEU 33 -1.905 -1.438 -5.812 247 3HD2 LEU 33 3HD2 LEU 33 -0.633 -0.237 -6.033 248 H SER 34 H SER 34 -4.706 2.724 -8.981 249 HA SER 34 HA SER 34 -3.409 2.699 -11.600 250 1HB SER 34 1HB SER 34 -4.853 4.951 -10.167 251 2HB SER 34 2HB SER 34 -4.337 4.944 -11.857 252 HG SER 34 HG SER 34 -6.043 2.927 -10.867 253 H SER 35 H SER 35 -1.715 4.175 -12.103 254 HA SER 35 HA SER 35 0.441 4.131 -10.407 255 1HB SER 35 1HB SER 35 1.316 6.039 -11.909 256 2HB SER 35 2HB SER 35 0.863 4.528 -12.694 257 HG SER 35 HG SER 35 -0.139 6.029 -13.887 258 H PHE 36 H PHE 36 -1.779 6.870 -10.923 259 HA PHE 36 HA PHE 36 -0.575 8.686 -9.179 260 1HB PHE 36 1HB PHE 36 -3.518 8.389 -9.850 261 2HB PHE 36 2HB PHE 36 -2.792 9.801 -9.090 262 HD1 PHE 36 HD1 PHE 36 -1.172 11.195 -10.370 263 HD2 PHE 36 HD2 PHE 36 -3.413 8.067 -12.202 264 HE1 PHE 36 HE1 PHE 36 -0.700 12.155 -12.585 265 HE2 PHE 36 HE2 PHE 36 -2.941 9.023 -14.417 266 HZ PHE 36 HZ PHE 36 -1.583 11.069 -14.610 267 H ALA 37 H ALA 37 -2.848 6.084 -8.559 268 HA ALA 37 HA ALA 37 -3.488 6.823 -5.887 269 1HB ALA 37 1HB ALA 37 -3.736 4.125 -7.231 270 2HB ALA 37 2HB ALA 37 -4.956 5.399 -7.248 271 3HB ALA 37 3HB ALA 37 -4.521 4.618 -5.729 272 H SER 38 H SER 38 -1.168 4.562 -7.326 273 HA SER 38 HA SER 38 -0.360 3.453 -4.838 274 1HB SER 38 1HB SER 38 1.543 2.504 -6.244 275 2HB SER 38 2HB SER 38 -0.086 2.095 -6.780 276 HG SER 38 HG SER 38 1.812 3.250 -8.183 277 H VAL 39 H VAL 39 0.883 6.040 -6.897 278 HA VAL 39 HA VAL 39 3.291 6.446 -5.455 279 HB VAL 39 HB VAL 39 1.740 8.388 -7.194 280 1HG1 VAL 39 1HG1 VAL 39 4.578 8.577 -6.159 281 2HG1 VAL 39 2HG1 VAL 39 3.224 9.603 -5.684 282 3HG1 VAL 39 3HG1 VAL 39 3.838 9.666 -7.335 283 1HG2 VAL 39 1HG2 VAL 39 2.493 6.387 -8.388 284 2HG2 VAL 39 2HG2 VAL 39 4.140 6.651 -7.815 285 3HG2 VAL 39 3HG2 VAL 39 3.391 7.810 -8.916 286 H GLN 40 H GLN 40 0.121 8.080 -5.287 287 HA GLN 40 HA GLN 40 0.813 9.904 -3.267 288 1HB GLN 40 1HB GLN 40 -1.227 10.120 -4.631 289 2HB GLN 40 2HB GLN 40 -1.893 8.682 -3.873 290 1HG GLN 40 1HG GLN 40 -2.919 10.603 -2.896 291 2HG GLN 40 2HG GLN 40 -1.864 9.867 -1.694 292 1HE2 GLN 40 1HE2 GLN 40 -2.915 12.594 -1.901 293 2HE2 GLN 40 2HE2 GLN 40 -1.537 13.641 -1.902 294 H LEU 41 H LEU 41 -0.243 6.581 -3.166 295 HA LEU 41 HA LEU 41 -0.700 6.219 -0.450 296 1HB LEU 41 1HB LEU 41 -1.167 4.229 -1.382 297 2HB LEU 41 2HB LEU 41 -0.178 4.578 -2.781 298 HG LEU 41 HG LEU 41 1.826 3.813 -1.393 299 1HD1 LEU 41 1HD1 LEU 41 -0.357 2.660 0.353 300 2HD1 LEU 41 2HD1 LEU 41 0.783 3.921 0.821 301 3HD1 LEU 41 3HD1 LEU 41 1.366 2.297 0.467 302 1HD2 LEU 41 1HD2 LEU 41 0.860 2.478 -3.190 303 2HD2 LEU 41 2HD2 LEU 41 -0.324 1.801 -2.070 304 3HD2 LEU 41 3HD2 LEU 41 1.392 1.452 -1.858 305 H MET 42 H MET 42 2.330 6.419 -2.237 306 HA MET 42 HA MET 42 4.018 5.513 -0.137 307 1HB MET 42 1HB MET 42 4.822 7.335 -2.416 308 2HB MET 42 2HB MET 42 5.845 6.218 -1.522 309 1HG MET 42 1HG MET 42 4.610 4.330 -2.468 310 2HG MET 42 2HG MET 42 3.584 5.456 -3.358 311 1HE MET 42 1HE MET 42 4.039 4.399 -5.693 312 2HE MET 42 2HE MET 42 4.957 3.129 -4.885 313 3HE MET 42 3HE MET 42 5.644 3.961 -6.280 314 H LEU 43 H LEU 43 3.248 8.754 -1.379 315 HA LEU 43 HA LEU 43 4.882 10.235 0.321 316 1HB LEU 43 1HB LEU 43 2.302 10.925 -1.075 317 2HB LEU 43 2HB LEU 43 3.138 12.095 -0.074 318 HG LEU 43 HG LEU 43 5.140 11.868 -1.552 319 1HD1 LEU 43 1HD1 LEU 43 3.289 10.229 -3.282 320 2HD1 LEU 43 2HD1 LEU 43 4.728 9.643 -2.445 321 3HD1 LEU 43 3HD1 LEU 43 4.884 10.820 -3.748 322 1HD2 LEU 43 1HD2 LEU 43 3.569 13.703 -1.859 323 2HD2 LEU 43 2HD2 LEU 43 2.578 12.701 -2.920 324 3HD2 LEU 43 3HD2 LEU 43 4.207 13.166 -3.414 325 H GLY 44 H GLY 44 1.473 9.294 0.767 326 1HA GLY 44 1HA GLY 44 1.201 10.717 3.231 327 2HA GLY 44 2HA GLY 44 0.079 9.530 2.587 328 H ILE 45 H ILE 45 2.134 7.441 2.402 329 HA ILE 45 HA ILE 45 1.853 6.445 5.076 330 HB ILE 45 HB ILE 45 2.714 5.328 2.468 331 1HG1 ILE 45 1HG1 ILE 45 0.432 5.057 3.305 332 2HG1 ILE 45 2HG1 ILE 45 1.223 3.492 3.162 333 1HG2 ILE 45 1HG2 ILE 45 3.668 3.288 3.483 334 2HG2 ILE 45 2HG2 ILE 45 3.645 4.088 5.056 335 3HG2 ILE 45 3HG2 ILE 45 4.664 4.716 3.761 336 1HD1 ILE 45 1HD1 ILE 45 0.839 5.051 5.709 337 2HD1 ILE 45 2HD1 ILE 45 1.623 3.478 5.567 338 3HD1 ILE 45 3HD1 ILE 45 -0.091 3.644 5.193 339 H GLU 46 H GLU 46 4.443 7.864 3.189 340 HA GLU 46 HA GLU 46 6.644 7.197 4.763 341 1HB GLU 46 1HB GLU 46 6.865 8.372 2.626 342 2HB GLU 46 2HB GLU 46 6.075 9.791 3.299 343 1HG GLU 46 1HG GLU 46 7.945 10.056 4.885 344 2HG GLU 46 2HG GLU 46 8.739 8.664 4.151 345 H GLU 47 H GLU 47 4.580 10.069 4.979 346 HA GLU 47 HA GLU 47 5.691 11.022 7.401 347 1HB GLU 47 1HB GLU 47 3.692 12.521 7.437 348 2HB GLU 47 2HB GLU 47 4.583 12.560 5.922 349 1HG GLU 47 1HG GLU 47 2.925 11.048 4.920 350 2HG GLU 47 2HG GLU 47 2.020 11.057 6.432 351 H ALA 48 H ALA 48 3.219 8.710 6.656 352 HA ALA 48 HA ALA 48 1.609 8.877 8.921 353 1HB ALA 48 1HB ALA 48 0.810 6.658 8.353 354 2HB ALA 48 2HB ALA 48 2.196 6.407 7.289 355 3HB ALA 48 3HB ALA 48 0.993 7.637 6.898 356 H PHE 49 H PHE 49 4.445 6.686 8.408 357 HA PHE 49 HA PHE 49 4.481 6.420 11.344 358 1HB PHE 49 1HB PHE 49 4.999 4.082 11.253 359 2HB PHE 49 2HB PHE 49 3.539 4.370 10.322 360 HD1 PHE 49 HD1 PHE 49 7.061 3.389 10.183 361 HD2 PHE 49 HD2 PHE 49 3.521 4.056 7.905 362 HE1 PHE 49 HE1 PHE 49 8.053 2.175 8.291 363 HE2 PHE 49 HE2 PHE 49 4.517 2.840 6.011 364 HZ PHE 49 HZ PHE 49 6.781 1.902 6.201 365 H ASP 50 H ASP 50 6.463 6.549 8.398 366 HA ASP 50 HA ASP 50 8.642 7.686 9.734 367 1HB ASP 50 1HB ASP 50 8.821 5.412 10.765 368 2HB ASP 50 2HB ASP 50 9.108 4.745 9.162 369 H ILE 51 H ILE 51 8.460 5.150 7.197 370 HA ILE 51 HA ILE 51 9.446 7.123 5.251 371 HB ILE 51 HB ILE 51 11.084 5.656 4.311 372 1HG1 ILE 51 1HG1 ILE 51 9.974 3.484 4.665 373 2HG1 ILE 51 2HG1 ILE 51 11.646 3.443 5.199 374 1HG2 ILE 51 1HG2 ILE 51 12.720 5.482 6.127 375 2HG2 ILE 51 2HG2 ILE 51 11.434 5.763 7.301 376 3HG2 ILE 51 3HG2 ILE 51 11.863 7.023 6.143 377 1HD1 ILE 51 1HD1 ILE 51 9.180 3.565 6.922 378 2HD1 ILE 51 2HD1 ILE 51 10.822 3.749 7.539 379 3HD1 ILE 51 3HD1 ILE 51 10.332 2.239 6.771 380 H GLU 52 H GLU 52 9.326 6.271 2.985 381 HA GLU 52 HA GLU 52 6.879 4.684 2.650 382 1HB GLU 52 1HB GLU 52 6.988 5.646 0.253 383 2HB GLU 52 2HB GLU 52 6.480 6.694 1.564 384 1HG GLU 52 1HG GLU 52 7.893 8.004 0.254 385 2HG GLU 52 2HG GLU 52 8.873 7.534 1.639 386 H PHE 53 H PHE 53 6.852 3.442 0.506 387 HA PHE 53 HA PHE 53 8.656 1.320 0.867 388 1HB PHE 53 1HB PHE 53 6.797 1.868 -1.459 389 2HB PHE 53 2HB PHE 53 7.549 0.320 -1.089 390 HD1 PHE 53 HD2 PHE 53 7.132 -0.483 1.435 391 HD2 PHE 53 HD1 PHE 53 4.616 2.169 -0.758 392 HE1 PHE 53 HE2 PHE 53 5.249 -1.049 2.914 393 HE2 PHE 53 HE1 PHE 53 2.735 1.607 0.722 394 HZ PHE 53 HZ PHE 53 3.050 -0.003 2.557 395 HA PRO 54 HA PRO 54 12.029 2.879 -1.633 396 1HB PRO 54 1HB PRO 54 13.675 0.751 -1.368 397 2HB PRO 54 2HB PRO 54 13.387 1.886 -0.042 398 1HG PRO 54 1HG PRO 54 12.133 -0.798 -0.537 399 2HG PRO 54 2HG PRO 54 12.791 -0.136 0.973 400 1HD PRO 54 1HD PRO 54 10.135 -0.131 0.419 401 2HD PRO 54 2HD PRO 54 10.907 1.148 1.379 402 H ASP 55 H ASP 55 13.015 2.426 -3.655 403 HA ASP 55 HA ASP 55 11.252 1.419 -5.574 404 1HB ASP 55 1HB ASP 55 12.972 1.840 -7.199 405 2HB ASP 55 2HB ASP 55 13.049 3.112 -5.984 406 H ASN 56 H ASN 56 13.747 -0.174 -3.768 407 HA ASN 56 HA ASN 56 14.364 -2.381 -5.293 408 1HB ASN 56 1HB ASN 56 13.993 -2.127 -2.300 409 2HB ASN 56 2HB ASN 56 14.584 -3.604 -3.056 410 1HD2 ASN 56 1HD2 ASN 56 16.655 -3.685 -3.836 411 2HD2 ASN 56 2HD2 ASN 56 17.815 -2.429 -3.571 412 H LEU 57 H LEU 57 11.579 -2.012 -3.097 413 HA LEU 57 HA LEU 57 10.490 -4.528 -4.154 414 1HB LEU 57 1HB LEU 57 8.958 -4.443 -2.185 415 2HB LEU 57 2HB LEU 57 10.657 -4.583 -1.786 416 HG LEU 57 HG LEU 57 10.604 -2.033 -1.413 417 1HD1 LEU 57 1HD1 LEU 57 8.482 -1.534 -2.463 418 2HD1 LEU 57 2HD1 LEU 57 8.420 -1.121 -0.751 419 3HD1 LEU 57 3HD1 LEU 57 7.640 -2.593 -1.331 420 1HD2 LEU 57 1HD2 LEU 57 9.072 -3.847 0.453 421 2HD2 LEU 57 2HD2 LEU 57 9.807 -2.300 0.883 422 3HD2 LEU 57 3HD2 LEU 57 10.825 -3.654 0.395 423 H LEU 58 H LEU 58 10.255 -1.291 -4.692 424 HA LEU 58 HA LEU 58 7.498 -0.800 -4.861 425 1HB LEU 58 1HB LEU 58 9.558 0.797 -5.011 426 2HB LEU 58 2HB LEU 58 9.487 0.464 -6.728 427 HG LEU 58 HG LEU 58 7.228 1.680 -5.115 428 1HD1 LEU 58 1HD1 LEU 58 9.204 3.000 -6.979 429 2HD1 LEU 58 2HD1 LEU 58 9.142 3.187 -5.226 430 3HD1 LEU 58 3HD1 LEU 58 7.815 3.782 -6.223 431 1HD2 LEU 58 1HD2 LEU 58 6.268 2.232 -7.312 432 2HD2 LEU 58 2HD2 LEU 58 6.402 0.493 -7.069 433 3HD2 LEU 58 3HD2 LEU 58 7.563 1.330 -8.099 434 H ASN 59 H ASN 59 9.815 -1.955 -7.277 435 HA ASN 59 HA ASN 59 7.685 -2.350 -9.244 436 1HB ASN 59 1HB ASN 59 10.667 -2.854 -9.502 437 2HB ASN 59 2HB ASN 59 9.496 -2.833 -10.815 438 1HD2 ASN 59 1HD2 ASN 59 8.055 -0.511 -9.780 439 2HD2 ASN 59 2HD2 ASN 59 9.080 0.851 -10.062 440 H ARG 60 H ARG 60 8.212 -3.999 -6.695 441 HA ARG 60 HA ARG 60 8.889 -6.610 -7.857 442 1HB ARG 60 1HB ARG 60 9.968 -5.487 -5.717 443 2HB ARG 60 2HB ARG 60 8.545 -6.127 -4.915 444 1HG ARG 60 1HG ARG 60 10.334 -7.675 -4.626 445 2HG ARG 60 2HG ARG 60 9.169 -8.393 -5.741 446 1HD ARG 60 1HD ARG 60 10.563 -8.031 -7.605 447 2HD ARG 60 2HD ARG 60 11.566 -6.867 -6.736 448 HE ARG 60 HE ARG 60 11.821 -9.255 -5.379 449 1HH1 ARG 60 1HH1 ARG 60 12.462 -8.144 -8.641 450 2HH1 ARG 60 2HH1 ARG 60 13.839 -9.179 -8.847 451 1HH2 ARG 60 1HH2 ARG 60 13.639 -10.599 -5.654 452 2HH2 ARG 60 2HH2 ARG 60 14.497 -10.583 -7.165 453 H LYS 61 H LYS 61 7.676 -8.493 -6.901 454 HA LYS 61 HA LYS 61 4.893 -8.260 -7.326 455 1HB LYS 61 1HB LYS 61 4.785 -10.609 -6.607 456 2HB LYS 61 2HB LYS 61 6.102 -10.341 -7.741 457 1HG LYS 61 1HG LYS 61 7.701 -10.303 -5.879 458 2HG LYS 61 2HG LYS 61 6.377 -10.590 -4.745 459 1HD LYS 61 1HD LYS 61 5.908 -12.739 -5.819 460 2HD LYS 61 2HD LYS 61 7.199 -12.448 -6.987 461 1HE LYS 61 1HE LYS 61 8.824 -12.387 -5.118 462 2HE LYS 61 2HE LYS 61 7.517 -12.783 -4.001 463 1HZ LYS 61 1HZ LYS 61 7.205 -14.874 -5.110 464 2HZ LYS 61 2HZ LYS 61 8.833 -14.727 -4.682 465 3HZ LYS 61 3HZ LYS 61 8.357 -14.484 -6.284 466 H SER 62 H SER 62 6.704 -7.381 -4.667 467 HA SER 62 HA SER 62 5.302 -8.227 -2.445 468 1HB SER 62 1HB SER 62 6.535 -5.480 -2.754 469 2HB SER 62 2HB SER 62 6.385 -6.438 -1.280 470 HG SER 62 HG SER 62 8.125 -7.515 -1.808 471 H PHE 63 H PHE 63 4.520 -5.619 -4.692 472 HA PHE 63 HA PHE 63 2.481 -4.453 -3.041 473 1HB PHE 63 1HB PHE 63 3.441 -4.007 -5.846 474 2HB PHE 63 2HB PHE 63 1.894 -3.328 -5.353 475 HD1 PHE 63 HD1 PHE 63 5.504 -3.404 -4.444 476 HD2 PHE 63 HD2 PHE 63 1.796 -1.318 -4.182 477 HE1 PHE 63 HE1 PHE 63 6.653 -1.480 -3.431 478 HE2 PHE 63 HE2 PHE 63 2.947 0.606 -3.172 479 HZ PHE 63 HZ PHE 63 5.379 0.527 -2.795 480 H ALA 64 H ALA 64 2.504 -7.294 -4.767 481 HA ALA 64 HA ALA 64 -0.041 -7.310 -5.979 482 1HB ALA 64 1HB ALA 64 0.133 -9.748 -5.945 483 2HB ALA 64 2HB ALA 64 1.486 -9.649 -4.819 484 3HB ALA 64 3HB ALA 64 1.654 -9.018 -6.457 485 H SER 65 H SER 65 1.031 -8.331 -2.759 486 HA SER 65 HA SER 65 -1.679 -7.903 -1.744 487 1HB SER 65 1HB SER 65 -0.083 -10.441 -1.298 488 2HB SER 65 2HB SER 65 -1.588 -10.034 -0.478 489 HG SER 65 HG SER 65 -2.228 -9.770 -2.927 490 H ILE 66 H ILE 66 -1.727 -7.091 0.289 491 HA ILE 66 HA ILE 66 0.448 -5.658 1.211 492 HB ILE 66 HB ILE 66 -2.039 -6.536 2.667 493 1HG1 ILE 66 1HG1 ILE 66 -2.364 -4.987 0.770 494 2HG1 ILE 66 2HG1 ILE 66 -2.765 -4.225 2.305 495 1HG2 ILE 66 1HG2 ILE 66 0.078 -4.606 3.614 496 2HG2 ILE 66 2HG2 ILE 66 -0.328 -6.167 4.332 497 3HG2 ILE 66 3HG2 ILE 66 -1.497 -4.845 4.374 498 1HD1 ILE 66 1HD1 ILE 66 -0.194 -3.843 0.779 499 2HD1 ILE 66 2HD1 ILE 66 -0.635 -3.052 2.293 500 3HD1 ILE 66 3HD1 ILE 66 -1.551 -2.718 0.825 501 H LYS 67 H LYS 67 -0.746 -8.807 2.419 502 HA LYS 67 HA LYS 67 0.741 -8.907 4.747 503 1HB LYS 67 1HB LYS 67 0.319 -11.223 4.878 504 2HB LYS 67 2HB LYS 67 -1.061 -10.542 4.034 505 1HG LYS 67 1HG LYS 67 1.150 -11.542 2.335 506 2HG LYS 67 2HG LYS 67 0.242 -12.751 3.236 507 1HD LYS 67 1HD LYS 67 -1.828 -12.015 2.221 508 2HD LYS 67 2HD LYS 67 -0.993 -10.686 1.409 509 1HE LYS 67 1HE LYS 67 0.207 -12.164 0.009 510 2HE LYS 67 2HE LYS 67 -0.242 -13.570 0.974 511 1HZ LYS 67 1HZ LYS 67 -1.500 -13.446 -1.096 512 2HZ LYS 67 2HZ LYS 67 -2.121 -11.937 -0.656 513 3HZ LYS 67 3HZ LYS 67 -2.524 -13.314 0.245 514 H ALA 68 H ALA 68 1.839 -9.405 1.489 515 HA ALA 68 HA ALA 68 4.300 -10.707 2.229 516 1HB ALA 68 1HB ALA 68 3.240 -11.131 0.055 517 2HB ALA 68 2HB ALA 68 4.879 -10.509 -0.130 518 3HB ALA 68 3HB ALA 68 3.497 -9.445 -0.396 519 H ILE 69 H ILE 69 3.384 -7.471 1.058 520 HA ILE 69 HA ILE 69 6.065 -6.492 1.088 521 HB ILE 69 HB ILE 69 4.375 -5.589 -0.448 522 1HG1 ILE 69 1HG1 ILE 69 5.434 -3.492 1.473 523 2HG1 ILE 69 2HG1 ILE 69 6.347 -4.220 0.155 524 1HG2 ILE 69 1HG2 ILE 69 2.418 -5.674 1.000 525 2HG2 ILE 69 2HG2 ILE 69 2.634 -4.052 0.344 526 3HG2 ILE 69 3HG2 ILE 69 3.090 -4.395 2.012 527 1HD1 ILE 69 1HD1 ILE 69 3.884 -2.510 -0.122 528 2HD1 ILE 69 2HD1 ILE 69 4.772 -3.256 -1.452 529 3HD1 ILE 69 3HD1 ILE 69 5.546 -2.023 -0.456 530 H GLU 70 H GLU 70 3.412 -6.432 3.398 531 HA GLU 70 HA GLU 70 4.405 -4.316 4.985 532 1HB GLU 70 1HB GLU 70 2.812 -5.060 6.697 533 2HB GLU 70 2HB GLU 70 2.072 -4.955 5.110 534 1HG GLU 70 1HG GLU 70 1.181 -6.911 5.896 535 2HG GLU 70 2HG GLU 70 2.571 -7.507 4.993 536 H ASP 71 H ASP 71 5.016 -7.756 4.956 537 HA ASP 71 HA ASP 71 6.472 -7.923 7.371 538 1HB ASP 71 1HB ASP 71 5.635 -9.895 6.103 539 2HB ASP 71 2HB ASP 71 6.812 -9.563 4.837 540 H THR 72 H THR 72 7.366 -7.118 4.056 541 HA THR 72 HA THR 72 10.182 -7.101 4.510 542 HB THR 72 HB THR 72 8.674 -5.733 2.262 543 HG1 THR 72 HG1 THR 72 8.747 -8.316 2.853 544 1HG2 THR 72 1HG2 THR 72 11.030 -5.086 2.417 545 2HG2 THR 72 2HG2 THR 72 10.765 -6.108 1.004 546 3HG2 THR 72 3HG2 THR 72 11.510 -6.783 2.454 547 H VAL 73 H VAL 73 7.662 -4.589 4.495 548 HA VAL 73 HA VAL 73 9.467 -2.402 4.644 549 HB VAL 73 HB VAL 73 7.123 -2.145 3.885 550 1HG1 VAL 73 1HG1 VAL 73 5.306 -1.978 5.515 551 2HG1 VAL 73 2HG1 VAL 73 6.411 -2.472 6.798 552 3HG1 VAL 73 3HG1 VAL 73 6.017 -3.592 5.495 553 1HG2 VAL 73 1HG2 VAL 73 8.397 -0.182 4.562 554 2HG2 VAL 73 2HG2 VAL 73 7.880 -0.398 6.233 555 3HG2 VAL 73 3HG2 VAL 73 6.698 0.009 4.989 556 H LYS 74 H LYS 74 8.027 -4.498 7.058 557 HA LYS 74 HA LYS 74 8.726 -2.999 9.354 558 1HB LYS 74 1HB LYS 74 8.426 -5.989 8.967 559 2HB LYS 74 2HB LYS 74 8.637 -5.216 10.534 560 1HG LYS 74 1HG LYS 74 6.545 -4.025 10.275 561 2HG LYS 74 2HG LYS 74 6.348 -4.673 8.647 562 1HD LYS 74 1HD LYS 74 4.960 -5.932 10.171 563 2HD LYS 74 2HD LYS 74 6.275 -6.962 9.606 564 1HE LYS 74 1HE LYS 74 5.980 -7.300 11.970 565 2HE LYS 74 2HE LYS 74 7.505 -6.457 11.707 566 1HZ LYS 74 1HZ LYS 74 6.362 -5.446 13.524 567 2HZ LYS 74 2HZ LYS 74 4.947 -5.267 12.621 568 3HZ LYS 74 3HZ LYS 74 6.321 -4.362 12.228 569 H LEU 75 H LEU 75 10.478 -5.369 7.412 570 HA LEU 75 HA LEU 75 12.774 -5.631 8.991 571 1HB LEU 75 1HB LEU 75 12.468 -5.787 5.986 572 2HB LEU 75 2HB LEU 75 13.916 -6.266 6.851 573 HG LEU 75 HG LEU 75 11.189 -7.546 7.159 574 1HD1 LEU 75 1HD1 LEU 75 13.679 -8.563 5.787 575 2HD1 LEU 75 2HD1 LEU 75 12.192 -8.045 4.994 576 3HD1 LEU 75 3HD1 LEU 75 12.186 -9.470 6.030 577 1HD2 LEU 75 1HD2 LEU 75 13.861 -8.287 8.364 578 2HD2 LEU 75 2HD2 LEU 75 12.383 -9.244 8.477 579 3HD2 LEU 75 3HD2 LEU 75 12.460 -7.652 9.230 580 H ILE 76 H ILE 76 11.775 -3.125 6.768 581 HA ILE 76 HA ILE 76 14.226 -1.772 6.482 582 HB ILE 76 HB ILE 76 11.429 -0.598 6.510 583 1HG1 ILE 76 1HG1 ILE 76 13.142 -1.517 4.177 584 2HG1 ILE 76 2HG1 ILE 76 11.749 -2.381 4.816 585 1HG2 ILE 76 1HG2 ILE 76 12.406 1.267 5.239 586 2HG2 ILE 76 2HG2 ILE 76 14.006 0.549 5.417 587 3HG2 ILE 76 3HG2 ILE 76 13.134 1.120 6.838 588 1HD1 ILE 76 1HD1 ILE 76 11.195 -1.153 2.792 589 2HD1 ILE 76 2HD1 ILE 76 11.694 0.354 3.561 590 3HD1 ILE 76 3HD1 ILE 76 10.299 -0.531 4.180 591 H LEU 77 H LEU 77 11.630 -1.466 8.888 592 HA LEU 77 HA LEU 77 12.874 0.630 10.361 593 1HB LEU 77 1HB LEU 77 10.768 -1.364 11.214 594 2HB LEU 77 2HB LEU 77 11.240 0.051 12.139 595 HG LEU 77 HG LEU 77 9.881 0.046 9.434 596 1HD1 LEU 77 1HD1 LEU 77 8.398 -0.517 11.287 597 2HD1 LEU 77 2HD1 LEU 77 8.022 1.078 10.637 598 3HD1 LEU 77 3HD1 LEU 77 8.913 0.932 12.154 599 1HD2 LEU 77 1HD2 LEU 77 9.805 2.487 9.667 600 2HD2 LEU 77 2HD2 LEU 77 11.461 1.894 9.567 601 3HD2 LEU 77 3HD2 LEU 77 10.791 2.380 11.125 602 H ASP 78 H ASP 78 13.073 -2.845 10.420 603 HA ASP 78 HA ASP 78 14.397 -3.173 12.894 604 1HB ASP 78 1HB ASP 78 13.426 -5.087 11.764 605 2HB ASP 78 2HB ASP 78 14.463 -4.839 10.363 606 H GLY 79 H GLY 79 15.522 -2.376 9.664 607 1HA GLY 79 1HA GLY 79 18.161 -1.698 10.784 608 2HA GLY 79 2HA GLY 79 18.073 -2.732 9.364 609 H LYS 80 H LYS 80 16.964 0.413 10.582 610 HA LYS 80 HA LYS 80 16.243 1.534 8.116 611 1HB LYS 80 1HB LYS 80 17.163 2.814 10.693 612 2HB LYS 80 2HB LYS 80 16.638 3.756 9.306 613 1HG LYS 80 1HG LYS 80 14.968 1.769 10.844 614 2HG LYS 80 2HG LYS 80 14.856 3.527 10.940 615 1HD LYS 80 1HD LYS 80 14.208 1.770 8.569 616 2HD LYS 80 2HD LYS 80 13.091 2.743 9.522 617 1HE LYS 80 1HE LYS 80 15.287 3.775 7.725 618 2HE LYS 80 2HE LYS 80 13.557 3.825 7.398 619 1HZ LYS 80 1HZ LYS 80 14.936 5.249 9.610 620 2HZ LYS 80 2HZ LYS 80 13.276 5.297 9.286 621 3HZ LYS 80 3HZ LYS 80 14.370 5.952 8.179 622 H GLU 81 H GLU 81 19.102 2.451 10.004 623 HA GLU 81 HA GLU 81 20.422 3.361 7.560 624 1HB GLU 81 1HB GLU 81 21.104 3.718 10.491 625 2HB GLU 81 2HB GLU 81 22.051 4.382 9.163 626 1HG GLU 81 1HG GLU 81 20.227 5.778 8.468 627 2HG GLU 81 2HG GLU 81 19.141 5.014 9.629 628 H ALA 82 H ALA 82 20.080 0.569 8.001 629 HA ALA 82 HA ALA 82 22.880 -0.328 8.253 630 1HB ALA 82 1HB ALA 82 20.342 -1.944 8.600 631 2HB ALA 82 2HB ALA 82 21.365 -1.350 9.908 632 3HB ALA 82 3HB ALA 82 21.991 -2.549 8.775 633 H ALA 83 H ALA 83 22.035 0.915 5.940 634 HA ALA 83 HA ALA 83 20.936 -0.807 3.976 635 1HB ALA 83 1HB ALA 83 21.632 0.904 2.372 636 2HB ALA 83 2HB ALA 83 22.623 1.677 3.610 637 3HB ALA 83 3HB ALA 83 20.868 1.637 3.785 Start of MODEL 18 1 HA MET 1 HA MET 1 2.034 0.638 10.347 2 1HB MET 1 1HB MET 1 4.139 -0.423 11.200 3 2HB MET 1 2HB MET 1 3.732 -1.871 10.294 4 1HG MET 1 1HG MET 1 3.777 -0.491 8.208 5 2HG MET 1 2HG MET 1 4.373 0.857 9.176 6 1HE MET 1 1HE MET 1 7.813 -0.550 10.447 7 2HE MET 1 2HE MET 1 6.261 -0.722 11.269 8 3HE MET 1 3HE MET 1 6.687 0.807 10.497 9 H ASN 2 H ASN 2 1.454 -2.867 10.192 10 HA ASN 2 HA ASN 2 1.174 -3.070 7.418 11 1HB ASN 2 1HB ASN 2 0.136 -5.248 7.829 12 2HB ASN 2 2HB ASN 2 1.543 -5.019 8.859 13 1HD2 ASN 2 1HD2 ASN 2 -0.685 -6.830 9.198 14 2HD2 ASN 2 2HD2 ASN 2 -1.402 -6.442 10.723 15 H ALA 3 H ALA 3 -1.315 -2.644 9.913 16 HA ALA 3 HA ALA 3 -3.504 -2.695 8.086 17 1HB ALA 3 1HB ALA 3 -4.840 -1.878 9.970 18 2HB ALA 3 2HB ALA 3 -3.365 -1.547 10.880 19 3HB ALA 3 3HB ALA 3 -3.792 -3.207 10.465 20 H THR 4 H THR 4 -1.473 -0.204 9.464 21 HA THR 4 HA THR 4 -2.786 2.097 8.595 22 HB THR 4 HB THR 4 0.198 1.603 8.837 23 HG1 THR 4 HG1 THR 4 -1.814 2.383 10.694 24 1HG2 THR 4 1HG2 THR 4 0.381 4.013 9.207 25 2HG2 THR 4 2HG2 THR 4 -1.351 4.199 8.930 26 3HG2 THR 4 3HG2 THR 4 -0.300 3.674 7.616 27 H ILE 5 H ILE 5 -0.475 -0.013 6.935 28 HA ILE 5 HA ILE 5 -0.059 1.506 4.623 29 HB ILE 5 HB ILE 5 -0.043 -1.509 4.921 30 1HG1 ILE 5 1HG1 ILE 5 2.283 0.439 4.924 31 2HG1 ILE 5 2HG1 ILE 5 1.542 -0.196 6.387 32 1HG2 ILE 5 1HG2 ILE 5 1.353 -1.514 2.888 33 2HG2 ILE 5 2HG2 ILE 5 1.101 0.224 2.720 34 3HG2 ILE 5 3HG2 ILE 5 -0.264 -0.884 2.576 35 1HD1 ILE 5 1HD1 ILE 5 2.894 -1.836 4.257 36 2HD1 ILE 5 2HD1 ILE 5 2.181 -2.451 5.751 37 3HD1 ILE 5 3HD1 ILE 5 3.584 -1.383 5.814 38 H ARG 6 H ARG 6 -2.392 -1.163 5.145 39 HA ARG 6 HA ARG 6 -3.587 -0.843 2.575 40 1HB ARG 6 1HB ARG 6 -5.229 -2.458 3.291 41 2HB ARG 6 2HB ARG 6 -3.651 -2.973 3.870 42 1HG ARG 6 1HG ARG 6 -4.186 -2.150 6.104 43 2HG ARG 6 2HG ARG 6 -5.756 -1.587 5.530 44 1HD ARG 6 1HD ARG 6 -6.278 -3.955 4.892 45 2HD ARG 6 2HD ARG 6 -4.781 -4.440 5.692 46 HE ARG 6 HE ARG 6 -6.205 -2.957 7.542 47 1HH1 ARG 6 1HH1 ARG 6 -6.641 -5.961 5.784 48 2HH1 ARG 6 2HH1 ARG 6 -7.719 -6.633 6.961 49 1HH2 ARG 6 1HH2 ARG 6 -7.586 -3.864 9.108 50 2HH2 ARG 6 2HH2 ARG 6 -8.243 -5.450 8.859 51 H GLU 7 H GLU 7 -4.063 0.638 5.657 52 HA GLU 7 HA GLU 7 -6.736 1.508 5.323 53 1HB GLU 7 1HB GLU 7 -5.650 1.360 7.522 54 2HB GLU 7 2HB GLU 7 -4.530 2.636 7.069 55 1HG GLU 7 1HG GLU 7 -6.327 4.243 6.974 56 2HG GLU 7 2HG GLU 7 -7.522 2.981 7.269 57 H ILE 8 H ILE 8 -3.606 2.934 4.480 58 HA ILE 8 HA ILE 8 -4.547 5.548 4.042 59 HB ILE 8 HB ILE 8 -2.107 4.891 4.244 60 1HG1 ILE 8 1HG1 ILE 8 -2.992 6.678 1.971 61 2HG1 ILE 8 2HG1 ILE 8 -2.797 7.148 3.654 62 1HG2 ILE 8 1HG2 ILE 8 -0.908 4.343 2.182 63 2HG2 ILE 8 2HG2 ILE 8 -2.440 4.236 1.316 64 3HG2 ILE 8 3HG2 ILE 8 -2.073 3.087 2.601 65 1HD1 ILE 8 1HD1 ILE 8 -0.595 6.275 1.804 66 2HD1 ILE 8 2HD1 ILE 8 -0.406 6.769 3.487 67 3HD1 ILE 8 3HD1 ILE 8 -0.961 7.932 2.283 68 H LEU 9 H LEU 9 -4.552 2.707 1.977 69 HA LEU 9 HA LEU 9 -5.030 3.953 -0.496 70 1HB LEU 9 1HB LEU 9 -5.710 1.222 0.563 71 2HB LEU 9 2HB LEU 9 -6.241 1.720 -1.030 72 HG LEU 9 HG LEU 9 -4.220 0.405 -1.214 73 1HD1 LEU 9 1HD1 LEU 9 -4.527 2.206 -2.827 74 2HD1 LEU 9 2HD1 LEU 9 -2.818 1.944 -2.486 75 3HD1 LEU 9 3HD1 LEU 9 -3.658 3.319 -1.768 76 1HD2 LEU 9 1HD2 LEU 9 -3.298 0.831 1.016 77 2HD2 LEU 9 2HD2 LEU 9 -2.891 2.478 0.532 78 3HD2 LEU 9 3HD2 LEU 9 -2.103 1.108 -0.249 79 H ALA 10 H ALA 10 -7.129 3.371 2.206 80 HA ALA 10 HA ALA 10 -9.596 3.696 0.812 81 1HB ALA 10 1HB ALA 10 -8.994 4.047 3.752 82 2HB ALA 10 2HB ALA 10 -9.464 2.539 2.969 83 3HB ALA 10 3HB ALA 10 -10.597 3.889 3.034 84 H LYS 11 H LYS 11 -7.276 5.886 2.221 85 HA LYS 11 HA LYS 11 -9.142 8.134 1.881 86 1HB LYS 11 1HB LYS 11 -7.494 9.371 3.378 87 2HB LYS 11 2HB LYS 11 -8.457 8.105 4.121 88 1HG LYS 11 1HG LYS 11 -6.505 6.566 3.854 89 2HG LYS 11 2HG LYS 11 -5.560 7.951 3.317 90 1HD LYS 11 1HD LYS 11 -6.911 7.635 6.004 91 2HD LYS 11 2HD LYS 11 -5.181 7.511 5.688 92 1HE LYS 11 1HE LYS 11 -5.171 9.871 4.958 93 2HE LYS 11 2HE LYS 11 -6.889 9.980 5.344 94 1HZ LYS 11 1HZ LYS 11 -6.324 9.422 7.653 95 2HZ LYS 11 2HZ LYS 11 -5.595 10.859 7.147 96 3HZ LYS 11 3HZ LYS 11 -4.682 9.440 7.253 97 H PHE 12 H PHE 12 -5.590 7.615 1.553 98 HA PHE 12 HA PHE 12 -5.424 9.821 -0.310 99 1HB PHE 12 1HB PHE 12 -3.422 7.905 0.846 100 2HB PHE 12 2HB PHE 12 -2.984 8.922 -0.516 101 HD1 PHE 12 HD1 PHE 12 -4.217 9.017 2.981 102 HD2 PHE 12 HD2 PHE 12 -2.349 11.157 -0.190 103 HE1 PHE 12 HE1 PHE 12 -3.681 10.846 4.536 104 HE2 PHE 12 HE2 PHE 12 -1.814 12.989 1.360 105 HZ PHE 12 HZ PHE 12 -2.478 12.836 3.725 106 H GLY 13 H GLY 13 -5.401 6.307 -0.478 107 1HA GLY 13 1HA GLY 13 -4.481 6.032 -3.133 108 2HA GLY 13 2HA GLY 13 -5.435 4.850 -2.252 109 H GLN 14 H GLN 14 -5.451 7.230 -4.705 110 HA GLN 14 HA GLN 14 -8.300 7.601 -4.808 111 1HB GLN 14 1HB GLN 14 -6.671 9.310 -5.640 112 2HB GLN 14 2HB GLN 14 -6.249 8.217 -6.953 113 1HG GLN 14 1HG GLN 14 -8.603 8.287 -7.719 114 2HG GLN 14 2HG GLN 14 -8.952 9.459 -6.450 115 1HE2 GLN 14 1HE2 GLN 14 -9.224 9.756 -9.313 116 2HE2 GLN 14 2HE2 GLN 14 -8.207 11.081 -9.776 117 H LEU 15 H LEU 15 -8.661 5.266 -4.703 118 HA LEU 15 HA LEU 15 -8.269 3.751 -7.150 119 1HB LEU 15 1HB LEU 15 -8.036 2.870 -4.742 120 2HB LEU 15 2HB LEU 15 -9.789 2.914 -4.677 121 HG LEU 15 HG LEU 15 -9.882 1.310 -6.571 122 1HD1 LEU 15 1HD1 LEU 15 -6.884 1.201 -6.237 123 2HD1 LEU 15 2HD1 LEU 15 -7.752 1.853 -7.627 124 3HD1 LEU 15 3HD1 LEU 15 -7.852 0.133 -7.255 125 1HD2 LEU 15 1HD2 LEU 15 -9.137 -0.655 -5.304 126 2HD2 LEU 15 2HD2 LEU 15 -10.011 0.486 -4.284 127 3HD2 LEU 15 3HD2 LEU 15 -8.251 0.395 -4.198 128 HA PRO 16 HA PRO 16 -12.301 5.024 -8.626 129 1HB PRO 16 1HB PRO 16 -12.547 3.307 -10.713 130 2HB PRO 16 2HB PRO 16 -11.449 4.692 -10.755 131 1HG PRO 16 1HG PRO 16 -10.852 1.804 -10.271 132 2HG PRO 16 2HG PRO 16 -9.920 3.003 -11.183 133 1HD PRO 16 1HD PRO 16 -9.334 2.201 -8.614 134 2HD PRO 16 2HD PRO 16 -8.847 3.765 -9.306 135 H THR 17 H THR 17 -11.462 1.881 -7.605 136 HA THR 17 HA THR 17 -14.239 0.977 -7.455 137 HB THR 17 HB THR 17 -11.598 -0.493 -7.504 138 HG1 THR 17 HG1 THR 17 -13.540 0.137 -9.395 139 1HG2 THR 17 1HG2 THR 17 -14.381 -1.634 -7.336 140 2HG2 THR 17 2HG2 THR 17 -13.157 -1.677 -6.067 141 3HG2 THR 17 3HG2 THR 17 -12.898 -2.560 -7.570 142 HA PRO 18 HA PRO 18 -14.058 1.595 -3.051 143 1HB PRO 18 1HB PRO 18 -15.735 -0.475 -2.265 144 2HB PRO 18 2HB PRO 18 -16.280 1.112 -2.820 145 1HG PRO 18 1HG PRO 18 -16.066 -1.458 -4.339 146 2HG PRO 18 2HG PRO 18 -17.338 -0.223 -4.399 147 1HD PRO 18 1HD PRO 18 -15.469 -0.403 -6.315 148 2HD PRO 18 2HD PRO 18 -16.082 1.172 -5.781 149 H VAL 19 H VAL 19 -12.449 1.055 -1.731 150 HA VAL 19 HA VAL 19 -10.714 -1.102 -2.086 151 HB VAL 19 HB VAL 19 -11.196 0.451 0.477 152 1HG1 VAL 19 1HG1 VAL 19 -9.887 -1.575 0.866 153 2HG1 VAL 19 2HG1 VAL 19 -8.879 -0.140 1.042 154 3HG1 VAL 19 3HG1 VAL 19 -8.770 -1.120 -0.421 155 1HG2 VAL 19 1HG2 VAL 19 -9.291 1.018 -1.803 156 2HG2 VAL 19 2HG2 VAL 19 -9.360 1.905 -0.278 157 3HG2 VAL 19 3HG2 VAL 19 -10.731 1.951 -1.388 158 H ASP 20 H ASP 20 -13.728 -0.926 -0.393 159 HA ASP 20 HA ASP 20 -13.508 -3.020 1.429 160 1HB ASP 20 1HB ASP 20 -15.418 -1.514 1.427 161 2HB ASP 20 2HB ASP 20 -15.924 -2.103 -0.152 162 H THR 21 H THR 21 -13.749 -3.141 -2.033 163 HA THR 21 HA THR 21 -14.714 -5.857 -2.136 164 HB THR 21 HB THR 21 -15.127 -4.087 -3.933 165 HG1 THR 21 HG1 THR 21 -13.983 -6.449 -5.021 166 1HG2 THR 21 1HG2 THR 21 -12.331 -4.887 -4.768 167 2HG2 THR 21 2HG2 THR 21 -12.803 -3.301 -4.162 168 3HG2 THR 21 3HG2 THR 21 -13.446 -3.886 -5.696 169 H ILE 22 H ILE 22 -11.635 -4.307 -1.918 170 HA ILE 22 HA ILE 22 -10.254 -6.813 -2.623 171 HB ILE 22 HB ILE 22 -8.187 -5.422 -2.788 172 1HG1 ILE 22 1HG1 ILE 22 -10.111 -3.096 -2.521 173 2HG1 ILE 22 2HG1 ILE 22 -8.883 -3.555 -1.345 174 1HG2 ILE 22 1HG2 ILE 22 -9.451 -6.023 -4.791 175 2HG2 ILE 22 2HG2 ILE 22 -8.715 -4.429 -4.965 176 3HG2 ILE 22 3HG2 ILE 22 -10.439 -4.573 -4.613 177 1HD1 ILE 22 1HD1 ILE 22 -8.156 -1.660 -2.654 178 2HD1 ILE 22 2HD1 ILE 22 -8.381 -2.572 -4.146 179 3HD1 ILE 22 3HD1 ILE 22 -7.140 -3.060 -2.992 180 H ALA 23 H ALA 23 -7.958 -6.722 -1.335 181 HA ALA 23 HA ALA 23 -8.230 -6.037 1.442 182 1HB ALA 23 1HB ALA 23 -8.268 -8.961 0.671 183 2HB ALA 23 2HB ALA 23 -9.617 -8.062 1.367 184 3HB ALA 23 3HB ALA 23 -8.151 -8.324 2.311 185 H ASP 24 H ASP 24 -6.333 -6.950 2.693 186 HA ASP 24 HA ASP 24 -3.931 -6.242 1.394 187 1HB ASP 24 1HB ASP 24 -2.857 -7.128 3.513 188 2HB ASP 24 2HB ASP 24 -4.089 -5.892 3.748 189 H GLU 25 H GLU 25 -5.621 -9.213 1.515 190 HA GLU 25 HA GLU 25 -3.262 -10.736 0.636 191 1HB GLU 25 1HB GLU 25 -6.012 -11.698 1.477 192 2HB GLU 25 2HB GLU 25 -4.670 -12.736 1.013 193 1HG GLU 25 1HG GLU 25 -3.379 -11.924 2.921 194 2HG GLU 25 2HG GLU 25 -4.717 -10.877 3.384 195 H ALA 26 H ALA 26 -5.396 -8.837 -0.827 196 HA ALA 26 HA ALA 26 -6.093 -10.740 -2.976 197 1HB ALA 26 1HB ALA 26 -7.522 -8.192 -2.218 198 2HB ALA 26 2HB ALA 26 -8.033 -9.821 -1.779 199 3HB ALA 26 3HB ALA 26 -8.009 -9.331 -3.473 200 H ASP 27 H ASP 27 -6.311 -9.768 -5.146 201 HA ASP 27 HA ASP 27 -3.939 -8.378 -5.895 202 1HB ASP 27 1HB ASP 27 -6.417 -8.855 -7.582 203 2HB ASP 27 2HB ASP 27 -4.794 -8.510 -8.168 204 H LEU 28 H LEU 28 -3.944 -6.367 -4.871 205 HA LEU 28 HA LEU 28 -6.046 -4.556 -4.708 206 1HB LEU 28 1HB LEU 28 -3.106 -3.896 -4.973 207 2HB LEU 28 2HB LEU 28 -4.345 -2.824 -4.350 208 HG LEU 28 HG LEU 28 -3.366 -5.380 -3.060 209 1HD1 LEU 28 1HD1 LEU 28 -2.551 -3.887 -1.305 210 2HD1 LEU 28 2HD1 LEU 28 -3.108 -2.489 -2.225 211 3HD1 LEU 28 3HD1 LEU 28 -1.815 -3.507 -2.860 212 1HD2 LEU 28 1HD2 LEU 28 -5.504 -3.456 -2.130 213 2HD2 LEU 28 2HD2 LEU 28 -4.854 -4.803 -1.196 214 3HD2 LEU 28 3HD2 LEU 28 -5.761 -5.113 -2.676 215 H TYR 29 H TYR 29 -3.578 -4.882 -7.228 216 HA TYR 29 HA TYR 29 -4.331 -2.604 -8.692 217 1HB TYR 29 1HB TYR 29 -3.038 -3.696 -10.581 218 2HB TYR 29 2HB TYR 29 -2.157 -3.410 -9.087 219 HD1 TYR 29 HD2 TYR 29 -3.734 -6.024 -11.186 220 HD2 TYR 29 HD1 TYR 29 -1.240 -5.216 -7.829 221 HE1 TYR 29 HE2 TYR 29 -3.038 -8.382 -11.134 222 HE2 TYR 29 HE1 TYR 29 -0.541 -7.567 -7.777 223 HH TYR 29 HH TYR 29 -1.295 -9.731 -8.504 224 H ALA 30 H ALA 30 -5.746 -5.744 -8.539 225 HA ALA 30 HA ALA 30 -7.021 -5.831 -11.046 226 1HB ALA 30 1HB ALA 30 -8.583 -7.408 -10.014 227 2HB ALA 30 2HB ALA 30 -7.995 -6.952 -8.413 228 3HB ALA 30 3HB ALA 30 -6.920 -7.768 -9.550 229 H ALA 31 H ALA 31 -7.772 -4.159 -8.068 230 HA ALA 31 HA ALA 31 -10.401 -3.303 -8.853 231 1HB ALA 31 1HB ALA 31 -9.822 -3.560 -6.502 232 2HB ALA 31 2HB ALA 31 -10.300 -1.898 -6.842 233 3HB ALA 31 3HB ALA 31 -8.594 -2.303 -6.648 234 H GLY 32 H GLY 32 -7.522 -2.526 -10.099 235 1HA GLY 32 1HA GLY 32 -7.277 -0.988 -11.861 236 2HA GLY 32 2HA GLY 32 -8.606 -0.046 -11.204 237 H LEU 33 H LEU 33 -6.078 -1.104 -9.091 238 HA LEU 33 HA LEU 33 -5.419 1.470 -8.207 239 1HB LEU 33 1HB LEU 33 -5.002 -0.613 -6.926 240 2HB LEU 33 2HB LEU 33 -3.738 -1.044 -8.062 241 HG LEU 33 HG LEU 33 -2.463 0.975 -7.370 242 1HD1 LEU 33 1HD1 LEU 33 -4.309 2.370 -6.622 243 2HD1 LEU 33 2HD1 LEU 33 -3.119 2.169 -5.335 244 3HD1 LEU 33 3HD1 LEU 33 -4.631 1.259 -5.288 245 1HD2 LEU 33 1HD2 LEU 33 -1.760 0.109 -5.193 246 2HD2 LEU 33 2HD2 LEU 33 -1.987 -1.195 -6.358 247 3HD2 LEU 33 3HD2 LEU 33 -3.207 -0.898 -5.120 248 H SER 34 H SER 34 -4.654 2.973 -9.537 249 HA SER 34 HA SER 34 -2.606 2.273 -11.523 250 1HB SER 34 1HB SER 34 -4.222 4.834 -11.292 251 2HB SER 34 2HB SER 34 -3.215 4.332 -12.652 252 HG SER 34 HG SER 34 -5.175 2.523 -11.901 253 H SER 35 H SER 35 -0.839 3.861 -11.824 254 HA SER 35 HA SER 35 0.740 4.100 -9.600 255 1HB SER 35 1HB SER 35 1.669 4.290 -11.824 256 2HB SER 35 2HB SER 35 0.771 5.776 -12.123 257 HG SER 35 HG SER 35 2.789 5.436 -10.146 258 H PHE 36 H PHE 36 -1.476 6.545 -10.904 259 HA PHE 36 HA PHE 36 -0.737 8.716 -9.325 260 1HB PHE 36 1HB PHE 36 -3.542 8.033 -10.262 261 2HB PHE 36 2HB PHE 36 -2.973 9.623 -9.770 262 HD1 PHE 36 HD2 PHE 36 -0.950 10.576 -11.125 263 HD2 PHE 36 HD1 PHE 36 -3.503 7.457 -12.510 264 HE1 PHE 36 HE2 PHE 36 -0.277 11.055 -13.442 265 HE2 PHE 36 HE1 PHE 36 -2.830 7.935 -14.828 266 HZ PHE 36 HZ PHE 36 -1.218 9.735 -15.297 267 H ALA 37 H ALA 37 -2.895 6.027 -8.567 268 HA ALA 37 HA ALA 37 -3.672 7.121 -6.015 269 1HB ALA 37 1HB ALA 37 -4.846 5.019 -5.675 270 2HB ALA 37 2HB ALA 37 -4.035 4.314 -7.076 271 3HB ALA 37 3HB ALA 37 -5.178 5.639 -7.292 272 H SER 38 H SER 38 -1.368 4.778 -7.242 273 HA SER 38 HA SER 38 -0.601 3.656 -4.774 274 1HB SER 38 1HB SER 38 1.019 3.845 -7.330 275 2HB SER 38 2HB SER 38 1.261 2.693 -6.015 276 HG SER 38 HG SER 38 0.017 1.954 -7.914 277 H VAL 39 H VAL 39 0.575 6.470 -6.569 278 HA VAL 39 HA VAL 39 2.948 6.795 -5.040 279 HB VAL 39 HB VAL 39 3.074 9.075 -6.005 280 1HG1 VAL 39 1HG1 VAL 39 2.397 6.913 -8.001 281 2HG1 VAL 39 2HG1 VAL 39 3.972 7.202 -7.264 282 3HG1 VAL 39 3HG1 VAL 39 3.278 8.398 -8.358 283 1HG2 VAL 39 1HG2 VAL 39 0.402 8.410 -7.249 284 2HG2 VAL 39 2HG2 VAL 39 1.395 9.816 -7.637 285 3HG2 VAL 39 3HG2 VAL 39 0.706 9.643 -6.023 286 H GLN 40 H GLN 40 -0.326 8.093 -4.741 287 HA GLN 40 HA GLN 40 0.234 9.874 -2.619 288 1HB GLN 40 1HB GLN 40 -2.335 8.457 -3.376 289 2HB GLN 40 2HB GLN 40 -2.236 9.714 -2.151 290 1HG GLN 40 1HG GLN 40 -1.578 10.042 -5.076 291 2HG GLN 40 2HG GLN 40 -3.049 10.591 -4.275 292 1HE2 GLN 40 1HE2 GLN 40 -1.031 12.118 -5.733 293 2HE2 GLN 40 2HE2 GLN 40 -0.445 13.313 -4.628 294 H LEU 41 H LEU 41 -0.612 6.490 -2.777 295 HA LEU 41 HA LEU 41 -0.827 5.856 -0.083 296 1HB LEU 41 1HB LEU 41 -1.285 3.979 -1.252 297 2HB LEU 41 2HB LEU 41 -0.267 4.454 -2.593 298 HG LEU 41 HG LEU 41 1.718 3.631 -1.256 299 1HD1 LEU 41 1HD1 LEU 41 0.714 3.640 0.971 300 2HD1 LEU 41 2HD1 LEU 41 1.277 2.025 0.547 301 3HD1 LEU 41 3HD1 LEU 41 -0.444 2.406 0.471 302 1HD2 LEU 41 1HD2 LEU 41 0.771 2.348 -3.092 303 2HD2 LEU 41 2HD2 LEU 41 -0.417 1.628 -2.003 304 3HD2 LEU 41 3HD2 LEU 41 1.299 1.274 -1.796 305 H MET 42 H MET 42 2.044 6.367 -2.075 306 HA MET 42 HA MET 42 3.914 5.404 -0.153 307 1HB MET 42 1HB MET 42 4.508 7.392 -2.352 308 2HB MET 42 2HB MET 42 5.618 6.254 -1.599 309 1HG MET 42 1HG MET 42 4.320 4.397 -2.599 310 2HG MET 42 2HG MET 42 3.312 5.597 -3.415 311 1HE MET 42 1HE MET 42 5.458 4.146 -6.356 312 2HE MET 42 2HE MET 42 3.827 4.476 -5.768 313 3HE MET 42 3HE MET 42 4.825 3.258 -4.969 314 H LEU 43 H LEU 43 3.096 8.706 -1.222 315 HA LEU 43 HA LEU 43 4.817 10.067 0.505 316 1HB LEU 43 1HB LEU 43 2.296 10.871 -0.920 317 2HB LEU 43 2HB LEU 43 3.079 11.986 0.183 318 HG LEU 43 HG LEU 43 5.130 11.909 -1.184 319 1HD1 LEU 43 1HD1 LEU 43 4.925 9.668 -2.110 320 2HD1 LEU 43 2HD1 LEU 43 5.113 10.862 -3.393 321 3HD1 LEU 43 3HD1 LEU 43 3.525 10.172 -3.058 322 1HD2 LEU 43 1HD2 LEU 43 4.261 13.154 -3.110 323 2HD2 LEU 43 2HD2 LEU 43 3.481 13.646 -1.606 324 3HD2 LEU 43 3HD2 LEU 43 2.631 12.591 -2.737 325 H GLY 44 H GLY 44 1.380 9.227 0.945 326 1HA GLY 44 1HA GLY 44 1.114 10.583 3.429 327 2HA GLY 44 2HA GLY 44 0.026 9.352 2.800 328 H ILE 45 H ILE 45 1.975 7.284 2.557 329 HA ILE 45 HA ILE 45 1.887 6.286 5.225 330 HB ILE 45 HB ILE 45 2.657 5.225 2.572 331 1HG1 ILE 45 1HG1 ILE 45 0.432 4.852 3.516 332 2HG1 ILE 45 2HG1 ILE 45 1.280 3.322 3.317 333 1HG2 ILE 45 1HG2 ILE 45 3.789 4.000 5.080 334 2HG2 ILE 45 2HG2 ILE 45 4.695 4.664 3.721 335 3HG2 ILE 45 3HG2 ILE 45 3.728 3.205 3.507 336 1HD1 ILE 45 1HD1 ILE 45 0.069 3.378 5.410 337 2HD1 ILE 45 2HD1 ILE 45 0.933 4.834 5.898 338 3HD1 ILE 45 3HD1 ILE 45 1.805 3.312 5.710 339 H GLU 46 H GLU 46 4.388 7.705 3.200 340 HA GLU 46 HA GLU 46 6.641 7.070 4.731 341 1HB GLU 46 1HB GLU 46 6.814 8.114 2.516 342 2HB GLU 46 2HB GLU 46 6.088 9.591 3.136 343 1HG GLU 46 1HG GLU 46 8.014 9.856 4.666 344 2HG GLU 46 2HG GLU 46 8.748 8.424 3.949 345 H GLU 47 H GLU 47 4.611 9.977 4.838 346 HA GLU 47 HA GLU 47 5.836 11.022 7.179 347 1HB GLU 47 1HB GLU 47 3.986 12.645 7.178 348 2HB GLU 47 2HB GLU 47 4.735 12.495 5.596 349 1HG GLU 47 1HG GLU 47 2.880 11.031 4.885 350 2HG GLU 47 2HG GLU 47 2.118 11.274 6.457 351 H ALA 48 H ALA 48 3.246 8.785 6.605 352 HA ALA 48 HA ALA 48 1.785 9.038 8.964 353 1HB ALA 48 1HB ALA 48 1.019 7.741 7.031 354 2HB ALA 48 2HB ALA 48 0.937 6.802 8.522 355 3HB ALA 48 3HB ALA 48 2.243 6.516 7.370 356 H PHE 49 H PHE 49 4.549 6.786 8.321 357 HA PHE 49 HA PHE 49 4.802 6.625 11.252 358 1HB PHE 49 1HB PHE 49 5.325 4.260 11.179 359 2HB PHE 49 2HB PHE 49 3.744 4.567 10.483 360 HD1 PHE 49 HD1 PHE 49 7.250 3.703 9.690 361 HD2 PHE 49 HD2 PHE 49 3.251 3.953 8.242 362 HE1 PHE 49 HE1 PHE 49 7.892 2.401 7.706 363 HE2 PHE 49 HE2 PHE 49 3.893 2.651 6.256 364 HZ PHE 49 HZ PHE 49 6.213 1.874 5.984 365 H ASP 50 H ASP 50 6.587 6.611 8.172 366 HA ASP 50 HA ASP 50 8.908 7.644 9.373 367 1HB ASP 50 1HB ASP 50 8.929 5.290 10.342 368 2HB ASP 50 2HB ASP 50 9.250 4.711 8.712 369 H ILE 51 H ILE 51 8.509 5.101 6.863 370 HA ILE 51 HA ILE 51 9.454 7.024 4.849 371 HB ILE 51 HB ILE 51 11.062 5.531 3.885 372 1HG1 ILE 51 1HG1 ILE 51 9.987 3.373 4.313 373 2HG1 ILE 51 2HG1 ILE 51 11.660 3.343 4.849 374 1HG2 ILE 51 1HG2 ILE 51 12.763 5.407 5.648 375 2HG2 ILE 51 2HG2 ILE 51 11.519 5.736 6.853 376 3HG2 ILE 51 3HG2 ILE 51 11.910 6.950 5.637 377 1HD1 ILE 51 1HD1 ILE 51 10.825 3.715 7.181 378 2HD1 ILE 51 2HD1 ILE 51 10.355 2.183 6.449 379 3HD1 ILE 51 3HD1 ILE 51 9.189 3.499 6.556 380 H GLU 52 H GLU 52 9.402 5.936 2.607 381 HA GLU 52 HA GLU 52 6.918 4.387 2.369 382 1HB GLU 52 1HB GLU 52 7.057 5.262 -0.088 383 2HB GLU 52 2HB GLU 52 6.466 6.316 1.185 384 1HG GLU 52 1HG GLU 52 7.875 7.649 -0.115 385 2HG GLU 52 2HG GLU 52 8.812 7.259 1.322 386 H PHE 53 H PHE 53 6.900 3.059 0.271 387 HA PHE 53 HA PHE 53 8.698 0.956 0.749 388 1HB PHE 53 1HB PHE 53 6.896 1.379 -1.642 389 2HB PHE 53 2HB PHE 53 7.579 -0.151 -1.113 390 HD1 PHE 53 HD2 PHE 53 7.130 -0.380 1.652 391 HD2 PHE 53 HD1 PHE 53 4.629 1.473 -1.259 392 HE1 PHE 53 HE2 PHE 53 5.177 -0.745 3.103 393 HE2 PHE 53 HE1 PHE 53 2.673 1.113 0.194 394 HZ PHE 53 HZ PHE 53 2.949 0.000 2.374 395 HA PRO 54 HA PRO 54 12.098 2.368 -1.808 396 1HB PRO 54 1HB PRO 54 13.710 0.220 -1.502 397 2HB PRO 54 2HB PRO 54 13.435 1.383 -0.194 398 1HG PRO 54 1HG PRO 54 12.112 -1.278 -0.659 399 2HG PRO 54 2HG PRO 54 12.812 -0.632 0.838 400 1HD PRO 54 1HD PRO 54 10.160 -0.540 0.360 401 2HD PRO 54 2HD PRO 54 10.993 0.754 1.243 402 H ASP 55 H ASP 55 13.090 1.879 -3.788 403 HA ASP 55 HA ASP 55 11.468 0.896 -5.796 404 1HB ASP 55 1HB ASP 55 14.493 1.099 -5.809 405 2HB ASP 55 2HB ASP 55 13.478 0.951 -7.239 406 H ASN 56 H ASN 56 13.778 -0.793 -3.820 407 HA ASN 56 HA ASN 56 14.290 -3.034 -5.384 408 1HB ASN 56 1HB ASN 56 14.288 -2.637 -2.395 409 2HB ASN 56 2HB ASN 56 14.746 -4.172 -3.129 410 1HD2 ASN 56 1HD2 ASN 56 16.328 -2.247 -1.557 411 2HD2 ASN 56 2HD2 ASN 56 17.679 -1.840 -2.555 412 H LEU 57 H LEU 57 11.373 -2.218 -3.714 413 HA LEU 57 HA LEU 57 10.360 -4.900 -4.393 414 1HB LEU 57 1HB LEU 57 8.855 -4.774 -2.411 415 2HB LEU 57 2HB LEU 57 10.559 -4.922 -2.036 416 HG LEU 57 HG LEU 57 10.550 -2.392 -1.658 417 1HD1 LEU 57 1HD1 LEU 57 7.572 -2.866 -1.658 418 2HD1 LEU 57 2HD1 LEU 57 8.478 -1.820 -2.752 419 3HD1 LEU 57 3HD1 LEU 57 8.373 -1.422 -1.041 420 1HD2 LEU 57 1HD2 LEU 57 8.918 -4.148 0.179 421 2HD2 LEU 57 2HD2 LEU 57 9.690 -2.624 0.619 422 3HD2 LEU 57 3HD2 LEU 57 10.678 -4.011 0.161 423 H LEU 58 H LEU 58 10.096 -1.680 -5.104 424 HA LEU 58 HA LEU 58 7.306 -1.291 -5.276 425 1HB LEU 58 1HB LEU 58 9.544 -0.097 -6.920 426 2HB LEU 58 2HB LEU 58 7.870 0.409 -7.051 427 HG LEU 58 HG LEU 58 9.607 0.665 -4.590 428 1HD1 LEU 58 1HD1 LEU 58 9.462 3.068 -5.003 429 2HD1 LEU 58 2HD1 LEU 58 8.544 2.770 -6.479 430 3HD1 LEU 58 3HD1 LEU 58 10.219 2.233 -6.359 431 1HD2 LEU 58 1HD2 LEU 58 6.758 1.555 -5.059 432 2HD2 LEU 58 2HD2 LEU 58 7.735 1.932 -3.640 433 3HD2 LEU 58 3HD2 LEU 58 7.284 0.263 -3.979 434 H ASN 59 H ASN 59 9.595 -2.892 -7.374 435 HA ASN 59 HA ASN 59 7.541 -3.369 -9.409 436 1HB ASN 59 1HB ASN 59 9.489 -4.412 -10.680 437 2HB ASN 59 2HB ASN 59 9.591 -2.681 -10.384 438 1HD2 ASN 59 1HD2 ASN 59 11.849 -2.851 -10.728 439 2HD2 ASN 59 2HD2 ASN 59 12.893 -3.437 -9.482 440 H ARG 60 H ARG 60 8.201 -4.743 -6.595 441 HA ARG 60 HA ARG 60 8.143 -7.533 -7.481 442 1HB ARG 60 1HB ARG 60 8.755 -6.152 -4.916 443 2HB ARG 60 2HB ARG 60 7.995 -7.728 -4.786 444 1HG ARG 60 1HG ARG 60 10.394 -7.940 -4.638 445 2HG ARG 60 2HG ARG 60 9.810 -8.714 -6.110 446 1HD ARG 60 1HD ARG 60 10.501 -6.770 -7.417 447 2HD ARG 60 2HD ARG 60 11.048 -5.964 -5.946 448 HE ARG 60 HE ARG 60 12.295 -8.509 -6.289 449 1HH1 ARG 60 1HH1 ARG 60 12.423 -5.173 -7.344 450 2HH1 ARG 60 2HH1 ARG 60 14.112 -5.228 -7.738 451 1HH2 ARG 60 1HH2 ARG 60 14.522 -8.586 -6.829 452 2HH2 ARG 60 2HH2 ARG 60 15.291 -7.171 -7.473 453 H LYS 61 H LYS 61 6.577 -9.002 -6.459 454 HA LYS 61 HA LYS 61 3.899 -8.130 -6.811 455 1HB LYS 61 1HB LYS 61 3.268 -10.394 -6.108 456 2HB LYS 61 2HB LYS 61 4.587 -10.439 -7.271 457 1HG LYS 61 1HG LYS 61 6.189 -10.833 -5.477 458 2HG LYS 61 2HG LYS 61 4.895 -10.729 -4.281 459 1HD LYS 61 1HD LYS 61 3.809 -12.693 -5.300 460 2HD LYS 61 2HD LYS 61 5.119 -12.797 -6.480 461 1HE LYS 61 1HE LYS 61 6.723 -13.190 -4.678 462 2HE LYS 61 2HE LYS 61 5.435 -13.047 -3.484 463 1HZ LYS 61 1HZ LYS 61 4.380 -14.992 -4.425 464 2HZ LYS 61 2HZ LYS 61 5.969 -15.356 -3.977 465 3HZ LYS 61 3HZ LYS 61 5.584 -15.115 -5.605 466 H SER 62 H SER 62 5.963 -7.661 -4.272 467 HA SER 62 HA SER 62 4.819 -8.239 -1.909 468 1HB SER 62 1HB SER 62 6.014 -5.528 -2.520 469 2HB SER 62 2HB SER 62 6.027 -6.385 -0.978 470 HG SER 62 HG SER 62 7.311 -8.007 -2.012 471 H PHE 63 H PHE 63 3.755 -5.637 -4.063 472 HA PHE 63 HA PHE 63 2.037 -4.362 -2.195 473 1HB PHE 63 1HB PHE 63 2.241 -4.279 -5.201 474 2HB PHE 63 2HB PHE 63 0.990 -3.387 -4.340 475 HD1 PHE 63 HD2 PHE 63 4.692 -3.858 -4.431 476 HD2 PHE 63 HD1 PHE 63 1.436 -1.250 -3.553 477 HE1 PHE 63 HE2 PHE 63 6.274 -2.023 -4.013 478 HE2 PHE 63 HE1 PHE 63 3.018 0.584 -3.130 479 HZ PHE 63 HZ PHE 63 5.438 0.199 -3.361 480 H ALA 64 H ALA 64 1.580 -7.013 -4.440 481 HA ALA 64 HA ALA 64 -1.271 -7.092 -4.237 482 1HB ALA 64 1HB ALA 64 -1.109 -9.232 -5.374 483 2HB ALA 64 2HB ALA 64 0.628 -9.289 -5.071 484 3HB ALA 64 3HB ALA 64 -0.040 -8.060 -6.143 485 H SER 65 H SER 65 1.312 -8.125 -2.259 486 HA SER 65 HA SER 65 -0.571 -9.534 -0.489 487 1HB SER 65 1HB SER 65 2.339 -10.244 -0.993 488 2HB SER 65 2HB SER 65 1.280 -11.037 0.176 489 HG SER 65 HG SER 65 0.031 -11.055 -2.161 490 H ILE 66 H ILE 66 -0.875 -7.508 0.581 491 HA ILE 66 HA ILE 66 1.167 -5.822 1.455 492 HB ILE 66 HB ILE 66 -1.584 -6.230 2.634 493 1HG1 ILE 66 1HG1 ILE 66 -0.484 -4.196 0.672 494 2HG1 ILE 66 2HG1 ILE 66 -1.625 -5.485 0.310 495 1HG2 ILE 66 1HG2 ILE 66 -1.294 -4.028 3.694 496 2HG2 ILE 66 2HG2 ILE 66 0.379 -3.990 3.139 497 3HG2 ILE 66 3HG2 ILE 66 -0.136 -5.209 4.304 498 1HD1 ILE 66 1HD1 ILE 66 -2.129 -3.107 2.083 499 2HD1 ILE 66 2HD1 ILE 66 -3.273 -4.416 1.782 500 3HD1 ILE 66 3HD1 ILE 66 -2.765 -3.366 0.459 501 H LYS 67 H LYS 67 -0.269 -8.640 3.008 502 HA LYS 67 HA LYS 67 0.904 -8.407 5.528 503 1HB LYS 67 1HB LYS 67 0.593 -10.816 5.774 504 2HB LYS 67 2HB LYS 67 -0.825 -10.079 5.044 505 1HG LYS 67 1HG LYS 67 1.240 -11.236 3.232 506 2HG LYS 67 2HG LYS 67 0.211 -12.343 4.140 507 1HD LYS 67 1HD LYS 67 -1.780 -11.233 3.210 508 2HD LYS 67 2HD LYS 67 -0.740 -10.157 2.277 509 1HE LYS 67 1HE LYS 67 -1.647 -12.088 0.979 510 2HE LYS 67 2HE LYS 67 0.111 -11.976 0.984 511 1HZ LYS 67 1HZ LYS 67 0.239 -13.721 2.586 512 2HZ LYS 67 2HZ LYS 67 -0.758 -14.251 1.328 513 3HZ LYS 67 3HZ LYS 67 -1.440 -13.752 2.792 514 H ALA 68 H ALA 68 2.289 -9.394 2.483 515 HA ALA 68 HA ALA 68 4.702 -10.457 3.665 516 1HB ALA 68 1HB ALA 68 3.853 -11.361 1.545 517 2HB ALA 68 2HB ALA 68 5.483 -10.712 1.367 518 3HB ALA 68 3HB ALA 68 4.097 -9.790 0.781 519 H ILE 69 H ILE 69 3.747 -7.512 1.910 520 HA ILE 69 HA ILE 69 6.351 -6.412 1.806 521 HB ILE 69 HB ILE 69 4.385 -5.733 0.348 522 1HG1 ILE 69 1HG1 ILE 69 5.921 -3.483 1.688 523 2HG1 ILE 69 2HG1 ILE 69 6.547 -4.509 0.400 524 1HG2 ILE 69 1HG2 ILE 69 2.909 -3.975 1.128 525 2HG2 ILE 69 2HG2 ILE 69 3.689 -3.981 2.709 526 3HG2 ILE 69 3HG2 ILE 69 2.766 -5.384 2.177 527 1HD1 ILE 69 1HD1 ILE 69 4.809 -3.665 -1.103 528 2HD1 ILE 69 2HD1 ILE 69 5.824 -2.370 -0.469 529 3HD1 ILE 69 3HD1 ILE 69 4.207 -2.624 0.188 530 H GLU 70 H GLU 70 3.803 -6.272 4.223 531 HA GLU 70 HA GLU 70 4.791 -4.088 5.702 532 1HB GLU 70 1HB GLU 70 3.373 -4.827 7.515 533 2HB GLU 70 2HB GLU 70 2.512 -5.011 5.998 534 1HG GLU 70 1HG GLU 70 1.961 -7.015 6.857 535 2HG GLU 70 2HG GLU 70 3.538 -7.491 6.238 536 H ASP 71 H ASP 71 5.451 -7.555 5.885 537 HA ASP 71 HA ASP 71 7.155 -7.442 8.135 538 1HB ASP 71 1HB ASP 71 6.122 -9.532 7.207 539 2HB ASP 71 2HB ASP 71 7.251 -9.446 5.859 540 H THR 72 H THR 72 7.623 -6.975 4.719 541 HA THR 72 HA THR 72 10.462 -7.008 4.735 542 HB THR 72 HB THR 72 8.660 -5.664 2.706 543 HG1 THR 72 HG1 THR 72 8.004 -7.808 2.901 544 1HG2 THR 72 1HG2 THR 72 11.434 -6.855 2.455 545 2HG2 THR 72 2HG2 THR 72 11.058 -5.133 2.484 546 3HG2 THR 72 3HG2 THR 72 10.495 -6.136 1.147 547 H VAL 73 H VAL 73 8.045 -4.387 4.942 548 HA VAL 73 HA VAL 73 10.012 -2.313 4.911 549 HB VAL 73 HB VAL 73 7.688 -1.863 4.230 550 1HG1 VAL 73 1HG1 VAL 73 5.922 -1.580 5.910 551 2HG1 VAL 73 2HG1 VAL 73 7.008 -2.211 7.149 552 3HG1 VAL 73 3HG1 VAL 73 6.490 -3.246 5.818 553 1HG2 VAL 73 1HG2 VAL 73 9.110 -0.003 4.932 554 2HG2 VAL 73 2HG2 VAL 73 8.576 -0.208 6.601 555 3HG2 VAL 73 3HG2 VAL 73 7.425 0.295 5.361 556 H LYS 74 H LYS 74 8.460 -4.218 7.405 557 HA LYS 74 HA LYS 74 9.385 -2.848 9.672 558 1HB LYS 74 1HB LYS 74 8.684 -5.725 9.125 559 2HB LYS 74 2HB LYS 74 9.330 -5.252 10.690 560 1HG LYS 74 1HG LYS 74 7.441 -4.124 11.298 561 2HG LYS 74 2HG LYS 74 7.035 -3.685 9.641 562 1HD LYS 74 1HD LYS 74 5.457 -5.311 10.695 563 2HD LYS 74 2HD LYS 74 6.177 -5.869 9.187 564 1HE LYS 74 1HE LYS 74 7.807 -7.193 10.492 565 2HE LYS 74 2HE LYS 74 7.010 -6.669 11.977 566 1HZ LYS 74 1HZ LYS 74 5.697 -8.190 9.790 567 2HZ LYS 74 2HZ LYS 74 4.996 -7.743 11.260 568 3HZ LYS 74 3HZ LYS 74 6.260 -8.862 11.238 569 H LEU 75 H LEU 75 10.962 -5.139 7.514 570 HA LEU 75 HA LEU 75 13.347 -5.489 8.993 571 1HB LEU 75 1HB LEU 75 12.959 -5.605 5.995 572 2HB LEU 75 2HB LEU 75 14.339 -6.241 6.872 573 HG LEU 75 HG LEU 75 11.496 -7.253 7.066 574 1HD1 LEU 75 1HD1 LEU 75 12.551 -7.840 4.955 575 2HD1 LEU 75 2HD1 LEU 75 12.370 -9.263 5.982 576 3HD1 LEU 75 3HD1 LEU 75 13.948 -8.490 5.816 577 1HD2 LEU 75 1HD2 LEU 75 12.657 -7.467 9.204 578 2HD2 LEU 75 2HD2 LEU 75 14.006 -8.272 8.402 579 3HD2 LEU 75 3HD2 LEU 75 12.421 -9.044 8.452 580 H ILE 76 H ILE 76 12.268 -3.044 6.706 581 HA ILE 76 HA ILE 76 14.703 -1.683 6.326 582 HB ILE 76 HB ILE 76 11.913 -0.490 6.393 583 1HG1 ILE 76 1HG1 ILE 76 13.509 -1.515 4.021 584 2HG1 ILE 76 2HG1 ILE 76 12.149 -2.352 4.762 585 1HG2 ILE 76 1HG2 ILE 76 14.452 0.571 5.141 586 2HG2 ILE 76 2HG2 ILE 76 13.657 1.212 6.577 587 3HG2 ILE 76 3HG2 ILE 76 12.853 1.306 5.011 588 1HD1 ILE 76 1HD1 ILE 76 12.047 0.328 3.395 589 2HD1 ILE 76 2HD1 ILE 76 10.682 -0.502 4.143 590 3HD1 ILE 76 3HD1 ILE 76 11.480 -1.208 2.737 591 H LEU 77 H LEU 77 12.048 -1.065 8.626 592 HA LEU 77 HA LEU 77 13.277 0.980 10.094 593 1HB LEU 77 1HB LEU 77 11.151 -1.035 10.788 594 2HB LEU 77 2HB LEU 77 11.746 0.083 11.999 595 HG LEU 77 HG LEU 77 9.678 0.909 11.039 596 1HD1 LEU 77 1HD1 LEU 77 11.332 2.547 11.743 597 2HD1 LEU 77 2HD1 LEU 77 10.401 3.137 10.368 598 3HD1 LEU 77 3HD1 LEU 77 12.045 2.543 10.130 599 1HD2 LEU 77 1HD2 LEU 77 9.500 1.546 8.688 600 2HD2 LEU 77 2HD2 LEU 77 9.796 -0.185 8.857 601 3HD2 LEU 77 3HD2 LEU 77 11.109 0.892 8.378 602 H ASP 78 H ASP 78 13.646 -2.472 10.219 603 HA ASP 78 HA ASP 78 14.915 -2.657 12.750 604 1HB ASP 78 1HB ASP 78 13.898 -4.614 11.756 605 2HB ASP 78 2HB ASP 78 14.951 -4.503 10.350 606 H GLY 79 H GLY 79 16.064 -1.872 9.551 607 1HA GLY 79 1HA GLY 79 18.747 -1.415 10.644 608 2HA GLY 79 2HA GLY 79 18.598 -2.507 9.276 609 H LYS 80 H LYS 80 17.574 0.755 10.272 610 HA LYS 80 HA LYS 80 17.561 1.717 7.540 611 1HB LYS 80 1HB LYS 80 17.304 3.231 10.145 612 2HB LYS 80 2HB LYS 80 17.036 3.898 8.539 613 1HG LYS 80 1HG LYS 80 15.304 1.933 8.363 614 2HG LYS 80 2HG LYS 80 15.352 2.027 10.126 615 1HD LYS 80 1HD LYS 80 14.774 4.312 8.247 616 2HD LYS 80 2HD LYS 80 13.579 3.413 9.176 617 1HE LYS 80 1HE LYS 80 14.561 4.188 11.259 618 2HE LYS 80 2HE LYS 80 15.838 5.019 10.371 619 1HZ LYS 80 1HZ LYS 80 14.027 6.495 11.118 620 2HZ LYS 80 2HZ LYS 80 12.948 5.657 10.122 621 3HZ LYS 80 3HZ LYS 80 14.236 6.513 9.442 622 H GLU 81 H GLU 81 19.474 2.138 10.441 623 HA GLU 81 HA GLU 81 21.603 2.811 10.853 624 1HB GLU 81 1HB GLU 81 22.198 1.485 8.790 625 2HB GLU 81 2HB GLU 81 22.026 2.964 7.854 626 1HG GLU 81 1HG GLU 81 23.835 3.997 9.105 627 2HG GLU 81 2HG GLU 81 23.982 2.561 10.116 628 H ALA 82 H ALA 82 19.237 4.523 10.265 629 HA ALA 82 HA ALA 82 20.272 7.024 9.299 630 1HB ALA 82 1HB ALA 82 18.096 7.939 9.960 631 2HB ALA 82 2HB ALA 82 17.696 6.421 10.764 632 3HB ALA 82 3HB ALA 82 17.908 6.463 9.013 633 H ALA 83 H ALA 83 22.107 7.195 10.665 634 HA ALA 83 HA ALA 83 21.579 7.718 13.509 635 1HB ALA 83 1HB ALA 83 23.263 6.006 13.007 636 2HB ALA 83 2HB ALA 83 23.976 7.391 13.836 637 3HB ALA 83 3HB ALA 83 24.200 7.193 12.097 Start of MODEL 19 1 HA MET 1 HA MET 1 1.823 0.744 10.271 2 1HB MET 1 1HB MET 1 3.931 0.112 11.509 3 2HB MET 1 2HB MET 1 3.907 -1.417 10.645 4 1HG MET 1 1HG MET 1 4.196 -0.308 8.542 5 2HG MET 1 2HG MET 1 3.995 1.273 9.294 6 1HE MET 1 1HE MET 1 7.700 -1.437 9.717 7 2HE MET 1 2HE MET 1 6.354 -1.730 8.621 8 3HE MET 1 3HE MET 1 6.130 -1.924 10.361 9 H ASN 2 H ASN 2 1.524 -2.771 10.508 10 HA ASN 2 HA ASN 2 1.724 -3.364 7.771 11 1HB ASN 2 1HB ASN 2 0.718 -5.518 8.313 12 2HB ASN 2 2HB ASN 2 1.890 -5.074 9.547 13 1HD2 ASN 2 1HD2 ASN 2 -0.441 -6.891 9.596 14 2HD2 ASN 2 2HD2 ASN 2 -1.407 -6.359 10.927 15 H ALA 3 H ALA 3 -1.128 -2.688 9.773 16 HA ALA 3 HA ALA 3 -2.960 -3.012 7.573 17 1HB ALA 3 1HB ALA 3 -4.673 -2.256 9.148 18 2HB ALA 3 2HB ALA 3 -3.421 -1.811 10.311 19 3HB ALA 3 3HB ALA 3 -3.657 -3.504 9.873 20 H THR 4 H THR 4 -1.260 -0.412 9.133 21 HA THR 4 HA THR 4 -2.570 1.851 8.255 22 HB THR 4 HB THR 4 0.434 1.466 8.408 23 HG1 THR 4 HG1 THR 4 -1.507 2.021 10.418 24 1HG2 THR 4 1HG2 THR 4 -0.209 3.571 7.354 25 2HG2 THR 4 2HG2 THR 4 0.487 3.859 8.948 26 3HG2 THR 4 3HG2 THR 4 -1.259 3.951 8.720 27 H ILE 5 H ILE 5 -0.299 -0.215 6.555 28 HA ILE 5 HA ILE 5 0.270 1.305 4.311 29 HB ILE 5 HB ILE 5 0.013 -1.703 4.529 30 1HG1 ILE 5 1HG1 ILE 5 2.480 0.055 4.681 31 2HG1 ILE 5 2HG1 ILE 5 1.625 -0.554 6.091 32 1HG2 ILE 5 1HG2 ILE 5 1.378 -0.029 2.410 33 2HG2 ILE 5 2HG2 ILE 5 -0.056 -1.033 2.190 34 3HG2 ILE 5 3HG2 ILE 5 1.497 -1.783 2.556 35 1HD1 ILE 5 1HD1 ILE 5 2.981 -2.227 3.990 36 2HD1 ILE 5 2HD1 ILE 5 2.119 -2.840 5.405 37 3HD1 ILE 5 3HD1 ILE 5 3.586 -1.881 5.612 38 H ARG 6 H ARG 6 -2.232 -1.286 4.478 39 HA ARG 6 HA ARG 6 -3.318 -0.458 1.954 40 1HB ARG 6 1HB ARG 6 -5.040 -2.144 2.286 41 2HB ARG 6 2HB ARG 6 -3.451 -2.808 2.628 42 1HG ARG 6 1HG ARG 6 -3.855 -2.762 4.984 43 2HG ARG 6 2HG ARG 6 -5.351 -1.849 4.764 44 1HD ARG 6 1HD ARG 6 -6.370 -3.731 3.609 45 2HD ARG 6 2HD ARG 6 -4.861 -4.638 3.703 46 HE ARG 6 HE ARG 6 -5.175 -4.596 6.167 47 1HH1 ARG 6 1HH1 ARG 6 -7.967 -4.201 4.070 48 2HH1 ARG 6 2HH1 ARG 6 -9.078 -4.858 5.229 49 1HH2 ARG 6 1HH2 ARG 6 -6.626 -5.479 7.667 50 2HH2 ARG 6 2HH2 ARG 6 -8.316 -5.589 7.276 51 H GLU 7 H GLU 7 -3.858 0.400 5.234 52 HA GLU 7 HA GLU 7 -6.495 1.331 5.145 53 1HB GLU 7 1HB GLU 7 -5.292 1.097 7.245 54 2HB GLU 7 2HB GLU 7 -4.135 2.327 6.759 55 1HG GLU 7 1HG GLU 7 -6.027 3.968 6.701 56 2HG GLU 7 2HG GLU 7 -7.054 2.715 7.397 57 H ILE 8 H ILE 8 -3.446 2.910 4.229 58 HA ILE 8 HA ILE 8 -4.497 5.510 4.011 59 HB ILE 8 HB ILE 8 -2.035 4.964 4.074 60 1HG1 ILE 8 1HG1 ILE 8 -3.080 6.788 1.896 61 2HG1 ILE 8 2HG1 ILE 8 -2.849 7.210 3.587 62 1HG2 ILE 8 1HG2 ILE 8 -0.905 4.530 1.950 63 2HG2 ILE 8 2HG2 ILE 8 -2.465 4.403 1.139 64 3HG2 ILE 8 3HG2 ILE 8 -2.011 3.219 2.363 65 1HD1 ILE 8 1HD1 ILE 8 -0.442 6.916 3.321 66 2HD1 ILE 8 2HD1 ILE 8 -1.093 8.127 2.217 67 3HD1 ILE 8 3HD1 ILE 8 -0.687 6.518 1.619 68 H LEU 9 H LEU 9 -4.496 2.812 1.785 69 HA LEU 9 HA LEU 9 -5.054 4.111 -0.612 70 1HB LEU 9 1HB LEU 9 -5.769 1.393 0.445 71 2HB LEU 9 2HB LEU 9 -6.397 1.919 -1.104 72 HG LEU 9 HG LEU 9 -4.388 0.533 -1.359 73 1HD1 LEU 9 1HD1 LEU 9 -3.957 3.414 -2.151 74 2HD1 LEU 9 2HD1 LEU 9 -4.866 2.205 -3.058 75 3HD1 LEU 9 3HD1 LEU 9 -3.126 2.019 -2.842 76 1HD2 LEU 9 1HD2 LEU 9 -2.950 2.738 0.125 77 2HD2 LEU 9 2HD2 LEU 9 -2.198 1.343 -0.653 78 3HD2 LEU 9 3HD2 LEU 9 -3.260 1.112 0.736 79 H ALA 10 H ALA 10 -7.077 3.621 2.150 80 HA ALA 10 HA ALA 10 -9.571 4.102 0.826 81 1HB ALA 10 1HB ALA 10 -10.514 4.201 3.069 82 2HB ALA 10 2HB ALA 10 -8.893 4.258 3.763 83 3HB ALA 10 3HB ALA 10 -9.435 2.815 2.908 84 H LYS 11 H LYS 11 -7.104 6.115 2.244 85 HA LYS 11 HA LYS 11 -8.907 8.440 2.198 86 1HB LYS 11 1HB LYS 11 -7.165 9.487 3.722 87 2HB LYS 11 2HB LYS 11 -8.096 8.154 4.392 88 1HG LYS 11 1HG LYS 11 -6.163 6.649 3.777 89 2HG LYS 11 2HG LYS 11 -5.246 8.112 3.430 90 1HD LYS 11 1HD LYS 11 -6.517 7.425 6.086 91 2HD LYS 11 2HD LYS 11 -4.807 7.244 5.694 92 1HE LYS 11 1HE LYS 11 -4.621 9.658 5.359 93 2HE LYS 11 2HE LYS 11 -6.339 9.849 5.707 94 1HZ LYS 11 1HZ LYS 11 -5.948 9.023 7.940 95 2HZ LYS 11 2HZ LYS 11 -4.971 10.367 7.628 96 3HZ LYS 11 3HZ LYS 11 -4.301 8.814 7.607 97 H PHE 12 H PHE 12 -5.490 7.630 1.454 98 HA PHE 12 HA PHE 12 -5.390 9.944 -0.353 99 1HB PHE 12 1HB PHE 12 -3.267 8.219 0.904 100 2HB PHE 12 2HB PHE 12 -2.892 9.249 -0.468 101 HD1 PHE 12 HD2 PHE 12 -3.906 9.195 3.068 102 HD2 PHE 12 HD1 PHE 12 -2.732 11.630 -0.222 103 HE1 PHE 12 HE2 PHE 12 -3.560 11.090 4.599 104 HE2 PHE 12 HE1 PHE 12 -2.386 13.528 1.304 105 HZ PHE 12 HZ PHE 12 -2.799 13.260 3.717 106 H GLY 13 H GLY 13 -5.839 6.585 -0.434 107 1HA GLY 13 1HA GLY 13 -4.500 5.947 -2.854 108 2HA GLY 13 2HA GLY 13 -5.784 5.013 -2.105 109 H GLN 14 H GLN 14 -4.955 6.704 -4.795 110 HA GLN 14 HA GLN 14 -7.532 7.845 -5.432 111 1HB GLN 14 1HB GLN 14 -5.150 7.408 -7.256 112 2HB GLN 14 2HB GLN 14 -6.500 8.505 -7.526 113 1HG GLN 14 1HG GLN 14 -4.422 8.738 -5.351 114 2HG GLN 14 2HG GLN 14 -4.511 9.712 -6.817 115 1HE2 GLN 14 1HE2 GLN 14 -4.624 10.449 -3.956 116 2HE2 GLN 14 2HE2 GLN 14 -6.076 11.366 -3.776 117 H LEU 15 H LEU 15 -7.950 5.251 -4.815 118 HA LEU 15 HA LEU 15 -7.960 3.610 -7.212 119 1HB LEU 15 1HB LEU 15 -7.471 2.770 -4.854 120 2HB LEU 15 2HB LEU 15 -9.175 2.996 -4.513 121 HG LEU 15 HG LEU 15 -9.721 1.354 -6.304 122 1HD1 LEU 15 1HD1 LEU 15 -7.726 1.620 -7.678 123 2HD1 LEU 15 2HD1 LEU 15 -7.945 -0.063 -7.204 124 3HD1 LEU 15 3HD1 LEU 15 -6.733 0.931 -6.393 125 1HD2 LEU 15 1HD2 LEU 15 -9.581 0.640 -3.966 126 2HD2 LEU 15 2HD2 LEU 15 -7.856 0.325 -4.157 127 3HD2 LEU 15 3HD2 LEU 15 -9.032 -0.635 -5.056 128 HA PRO 16 HA PRO 16 -12.050 5.135 -8.243 129 1HB PRO 16 1HB PRO 16 -12.582 3.457 -10.314 130 2HB PRO 16 2HB PRO 16 -11.458 4.815 -10.456 131 1HG PRO 16 1HG PRO 16 -10.889 1.904 -10.086 132 2HG PRO 16 2HG PRO 16 -10.032 3.099 -11.076 133 1HD PRO 16 1HD PRO 16 -9.180 2.234 -8.607 134 2HD PRO 16 2HD PRO 16 -8.746 3.807 -9.314 135 H THR 17 H THR 17 -11.234 2.013 -7.211 136 HA THR 17 HA THR 17 -14.017 1.130 -6.962 137 HB THR 17 HB THR 17 -11.385 -0.330 -7.162 138 HG1 THR 17 HG1 THR 17 -11.945 -0.245 -9.182 139 1HG2 THR 17 1HG2 THR 17 -12.615 -2.431 -7.019 140 2HG2 THR 17 2HG2 THR 17 -14.097 -1.544 -6.667 141 3HG2 THR 17 3HG2 THR 17 -12.751 -1.501 -5.529 142 HA PRO 18 HA PRO 18 -13.724 1.750 -2.569 143 1HB PRO 18 1HB PRO 18 -15.311 -0.345 -1.695 144 2HB PRO 18 2HB PRO 18 -15.925 1.204 -2.281 145 1HG PRO 18 1HG PRO 18 -15.650 -1.400 -3.733 146 2HG PRO 18 2HG PRO 18 -16.974 -0.219 -3.789 147 1HD PRO 18 1HD PRO 18 -15.152 -0.372 -5.752 148 2HD PRO 18 2HD PRO 18 -15.817 1.189 -5.239 149 H VAL 19 H VAL 19 -12.145 1.257 -1.207 150 HA VAL 19 HA VAL 19 -10.339 -0.862 -1.592 151 HB VAL 19 HB VAL 19 -10.745 0.808 0.906 152 1HG1 VAL 19 1HG1 VAL 19 -8.327 -0.743 -0.037 153 2HG1 VAL 19 2HG1 VAL 19 -9.348 -1.140 1.346 154 3HG1 VAL 19 3HG1 VAL 19 -8.373 0.329 1.363 155 1HG2 VAL 19 1HG2 VAL 19 -10.427 2.209 -1.065 156 2HG2 VAL 19 2HG2 VAL 19 -8.974 1.305 -1.491 157 3HG2 VAL 19 3HG2 VAL 19 -9.010 2.275 -0.018 158 H ASP 20 H ASP 20 -13.320 -0.718 0.120 159 HA ASP 20 HA ASP 20 -13.055 -2.767 1.982 160 1HB ASP 20 1HB ASP 20 -15.028 -1.382 1.961 161 2HB ASP 20 2HB ASP 20 -15.450 -1.916 0.336 162 H THR 21 H THR 21 -13.350 -2.944 -1.492 163 HA THR 21 HA THR 21 -14.231 -5.674 -1.554 164 HB THR 21 HB THR 21 -14.650 -3.915 -3.372 165 HG1 THR 21 HG1 THR 21 -14.014 -5.778 -5.015 166 1HG2 THR 21 1HG2 THR 21 -12.312 -3.167 -3.636 167 2HG2 THR 21 2HG2 THR 21 -12.990 -3.758 -5.151 168 3HG2 THR 21 3HG2 THR 21 -11.876 -4.769 -4.233 169 H ILE 22 H ILE 22 -11.166 -4.068 -1.426 170 HA ILE 22 HA ILE 22 -9.739 -6.543 -2.119 171 HB ILE 22 HB ILE 22 -7.691 -5.125 -2.165 172 1HG1 ILE 22 1HG1 ILE 22 -9.647 -2.839 -1.786 173 2HG1 ILE 22 2HG1 ILE 22 -8.429 -3.352 -0.624 174 1HG2 ILE 22 1HG2 ILE 22 -9.926 -4.177 -3.966 175 2HG2 ILE 22 2HG2 ILE 22 -8.925 -5.607 -4.220 176 3HG2 ILE 22 3HG2 ILE 22 -8.198 -4.002 -4.280 177 1HD1 ILE 22 1HD1 ILE 22 -7.698 -1.376 -1.790 178 2HD1 ILE 22 2HD1 ILE 22 -7.924 -2.173 -3.346 179 3HD1 ILE 22 3HD1 ILE 22 -6.675 -2.741 -2.239 180 H ALA 23 H ALA 23 -7.620 -6.786 -0.738 181 HA ALA 23 HA ALA 23 -7.793 -6.119 2.025 182 1HB ALA 23 1HB ALA 23 -9.669 -7.700 1.942 183 2HB ALA 23 2HB ALA 23 -8.342 -8.336 2.915 184 3HB ALA 23 3HB ALA 23 -8.603 -8.937 1.276 185 H ASP 24 H ASP 24 -6.393 -8.004 3.250 186 HA ASP 24 HA ASP 24 -3.780 -7.553 2.458 187 1HB ASP 24 1HB ASP 24 -4.879 -9.791 4.175 188 2HB ASP 24 2HB ASP 24 -3.170 -9.395 4.038 189 H GLU 25 H GLU 25 -5.828 -10.369 1.801 190 HA GLU 25 HA GLU 25 -3.677 -11.539 0.170 191 1HB GLU 25 1HB GLU 25 -6.202 -12.814 1.241 192 2HB GLU 25 2HB GLU 25 -4.945 -13.640 0.331 193 1HG GLU 25 1HG GLU 25 -3.339 -13.086 2.150 194 2HG GLU 25 2HG GLU 25 -4.684 -12.407 3.069 195 H ALA 26 H ALA 26 -6.143 -9.517 -0.341 196 HA ALA 26 HA ALA 26 -7.135 -10.819 -2.783 197 1HB ALA 26 1HB ALA 26 -8.867 -9.957 -1.317 198 2HB ALA 26 2HB ALA 26 -8.832 -9.025 -2.815 199 3HB ALA 26 3HB ALA 26 -8.131 -8.357 -1.343 200 H ASP 27 H ASP 27 -6.252 -10.308 -4.657 201 HA ASP 27 HA ASP 27 -4.055 -8.622 -4.906 202 1HB ASP 27 1HB ASP 27 -4.346 -8.944 -7.380 203 2HB ASP 27 2HB ASP 27 -4.294 -10.428 -6.442 204 H LEU 28 H LEU 28 -4.129 -6.550 -4.501 205 HA LEU 28 HA LEU 28 -6.367 -4.896 -4.617 206 1HB LEU 28 1HB LEU 28 -3.429 -4.196 -4.557 207 2HB LEU 28 2HB LEU 28 -4.700 -3.000 -4.427 208 HG LEU 28 HG LEU 28 -5.506 -4.260 -2.361 209 1HD1 LEU 28 1HD1 LEU 28 -2.798 -5.566 -2.623 210 2HD1 LEU 28 2HD1 LEU 28 -4.368 -6.368 -2.693 211 3HD1 LEU 28 3HD1 LEU 28 -3.828 -5.623 -1.191 212 1HD2 LEU 28 1HD2 LEU 28 -4.329 -2.132 -2.231 213 2HD2 LEU 28 2HD2 LEU 28 -2.776 -2.970 -2.296 214 3HD2 LEU 28 3HD2 LEU 28 -3.844 -3.196 -0.910 215 H TYR 29 H TYR 29 -3.786 -5.370 -6.979 216 HA TYR 29 HA TYR 29 -4.305 -3.144 -8.580 217 1HB TYR 29 1HB TYR 29 -3.111 -4.386 -10.389 218 2HB TYR 29 2HB TYR 29 -2.244 -4.332 -8.862 219 HD1 TYR 29 HD1 TYR 29 -4.075 -6.495 -11.208 220 HD2 TYR 29 HD2 TYR 29 -1.830 -6.348 -7.592 221 HE1 TYR 29 HE1 TYR 29 -3.817 -8.937 -11.275 222 HE2 TYR 29 HE2 TYR 29 -1.567 -8.791 -7.651 223 HH TYR 29 HH TYR 29 -2.865 -10.764 -8.679 224 H ALA 30 H ALA 30 -5.972 -6.177 -8.376 225 HA ALA 30 HA ALA 30 -7.252 -6.217 -10.876 226 1HB ALA 30 1HB ALA 30 -8.870 -7.715 -9.816 227 2HB ALA 30 2HB ALA 30 -8.242 -7.272 -8.227 228 3HB ALA 30 3HB ALA 30 -7.217 -8.136 -9.372 229 H ALA 31 H ALA 31 -7.939 -4.473 -7.926 230 HA ALA 31 HA ALA 31 -10.587 -3.655 -8.596 231 1HB ALA 31 1HB ALA 31 -10.339 -2.075 -6.738 232 2HB ALA 31 2HB ALA 31 -8.611 -2.426 -6.667 233 3HB ALA 31 3HB ALA 31 -9.784 -3.688 -6.287 234 H GLY 32 H GLY 32 -7.529 -2.723 -9.705 235 1HA GLY 32 1HA GLY 32 -7.357 -1.282 -11.633 236 2HA GLY 32 2HA GLY 32 -8.665 -0.309 -10.972 237 H LEU 33 H LEU 33 -5.710 -1.567 -9.463 238 HA LEU 33 HA LEU 33 -5.172 0.882 -8.126 239 1HB LEU 33 1HB LEU 33 -4.464 -1.298 -7.237 240 2HB LEU 33 2HB LEU 33 -3.378 -1.506 -8.597 241 HG LEU 33 HG LEU 33 -2.061 0.450 -7.828 242 1HD1 LEU 33 1HD1 LEU 33 -3.913 0.395 -5.442 243 2HD1 LEU 33 2HD1 LEU 33 -3.816 1.669 -6.658 244 3HD1 LEU 33 3HD1 LEU 33 -2.448 1.367 -5.589 245 1HD2 LEU 33 1HD2 LEU 33 -1.409 -1.815 -7.168 246 2HD2 LEU 33 2HD2 LEU 33 -2.431 -1.698 -5.735 247 3HD2 LEU 33 3HD2 LEU 33 -1.026 -0.645 -5.906 248 H SER 34 H SER 34 -4.512 2.649 -9.107 249 HA SER 34 HA SER 34 -2.996 2.500 -11.598 250 1HB SER 34 1HB SER 34 -4.922 3.962 -11.649 251 2HB SER 34 2HB SER 34 -4.393 4.792 -10.185 252 HG SER 34 HG SER 34 -3.867 5.497 -12.621 253 H SER 35 H SER 35 -1.073 3.689 -11.909 254 HA SER 35 HA SER 35 0.817 3.611 -9.846 255 1HB SER 35 1HB SER 35 2.175 5.068 -11.441 256 2HB SER 35 2HB SER 35 1.576 3.550 -12.112 257 HG SER 35 HG SER 35 1.005 5.002 -13.610 258 H PHE 36 H PHE 36 -1.365 6.119 -10.921 259 HA PHE 36 HA PHE 36 -0.256 8.272 -9.443 260 1HB PHE 36 1HB PHE 36 -3.108 7.825 -10.379 261 2HB PHE 36 2HB PHE 36 -2.464 9.353 -9.784 262 HD1 PHE 36 HD2 PHE 36 -2.495 6.981 -12.576 263 HD2 PHE 36 HD1 PHE 36 -0.946 10.680 -11.137 264 HE1 PHE 36 HE2 PHE 36 -1.764 7.556 -14.852 265 HE2 PHE 36 HE1 PHE 36 -0.216 11.259 -13.414 266 HZ PHE 36 HZ PHE 36 -0.625 9.696 -15.274 267 H ALA 37 H ALA 37 -2.361 5.623 -8.640 268 HA ALA 37 HA ALA 37 -3.210 6.703 -6.109 269 1HB ALA 37 1HB ALA 37 -4.229 4.515 -5.741 270 2HB ALA 37 2HB ALA 37 -3.390 3.869 -7.154 271 3HB ALA 37 3HB ALA 37 -4.621 5.117 -7.352 272 H SER 38 H SER 38 -0.769 4.425 -7.262 273 HA SER 38 HA SER 38 0.039 3.519 -4.700 274 1HB SER 38 1HB SER 38 2.082 2.691 -5.985 275 2HB SER 38 2HB SER 38 0.517 2.104 -6.546 276 HG SER 38 HG SER 38 2.294 3.896 -7.756 277 H VAL 39 H VAL 39 1.224 6.100 -6.831 278 HA VAL 39 HA VAL 39 3.498 6.710 -5.253 279 HB VAL 39 HB VAL 39 3.345 7.463 -7.586 280 1HG1 VAL 39 1HG1 VAL 39 1.217 9.378 -6.617 281 2HG1 VAL 39 2HG1 VAL 39 0.968 8.004 -7.693 282 3HG1 VAL 39 3HG1 VAL 39 1.946 9.373 -8.223 283 1HG2 VAL 39 1HG2 VAL 39 3.588 9.751 -5.624 284 2HG2 VAL 39 2HG2 VAL 39 4.200 9.749 -7.278 285 3HG2 VAL 39 3HG2 VAL 39 4.872 8.634 -6.090 286 H GLN 40 H GLN 40 0.222 8.111 -5.339 287 HA GLN 40 HA GLN 40 0.645 10.003 -3.292 288 1HB GLN 40 1HB GLN 40 -1.309 10.002 -4.852 289 2HB GLN 40 2HB GLN 40 -1.946 8.598 -4.008 290 1HG GLN 40 1HG GLN 40 -3.053 10.640 -3.286 291 2HG GLN 40 2HG GLN 40 -2.150 9.907 -1.959 292 1HE2 GLN 40 1HE2 GLN 40 -2.303 12.577 -4.191 293 2HE2 GLN 40 2HE2 GLN 40 -1.158 13.579 -3.376 294 H LEU 41 H LEU 41 -0.185 6.613 -3.295 295 HA LEU 41 HA LEU 41 -0.835 6.270 -0.595 296 1HB LEU 41 1HB LEU 41 -1.316 4.281 -1.506 297 2HB LEU 41 2HB LEU 41 -0.315 4.612 -2.899 298 HG LEU 41 HG LEU 41 1.666 3.779 -1.529 299 1HD1 LEU 41 1HD1 LEU 41 1.174 2.286 0.345 300 2HD1 LEU 41 2HD1 LEU 41 -0.532 2.725 0.258 301 3HD1 LEU 41 3HD1 LEU 41 0.671 3.938 0.695 302 1HD2 LEU 41 1HD2 LEU 41 0.636 2.464 -3.302 303 2HD2 LEU 41 2HD2 LEU 41 -0.562 1.838 -2.168 304 3HD2 LEU 41 3HD2 LEU 41 1.143 1.428 -1.969 305 H MET 42 H MET 42 2.345 5.944 -2.234 306 HA MET 42 HA MET 42 3.679 5.267 0.185 307 1HB MET 42 1HB MET 42 5.755 5.481 -1.087 308 2HB MET 42 2HB MET 42 4.560 4.555 -1.979 309 1HG MET 42 1HG MET 42 4.057 6.562 -3.324 310 2HG MET 42 2HG MET 42 5.327 7.428 -2.464 311 1HE MET 42 1HE MET 42 8.538 5.467 -3.579 312 2HE MET 42 2HE MET 42 7.559 5.122 -2.155 313 3HE MET 42 3HE MET 42 7.906 6.791 -2.602 314 H LEU 43 H LEU 43 3.206 8.300 -1.574 315 HA LEU 43 HA LEU 43 4.966 9.880 -0.045 316 1HB LEU 43 1HB LEU 43 2.681 10.418 -1.868 317 2HB LEU 43 2HB LEU 43 3.113 11.708 -0.763 318 HG LEU 43 HG LEU 43 4.180 11.986 -2.961 319 1HD1 LEU 43 1HD1 LEU 43 6.464 12.349 -2.181 320 2HD1 LEU 43 2HD1 LEU 43 6.142 11.360 -0.755 321 3HD1 LEU 43 3HD1 LEU 43 5.285 12.885 -0.985 322 1HD2 LEU 43 1HD2 LEU 43 4.400 9.639 -3.594 323 2HD2 LEU 43 2HD2 LEU 43 5.603 9.397 -2.327 324 3HD2 LEU 43 3HD2 LEU 43 5.953 10.466 -3.686 325 H GLY 44 H GLY 44 1.493 9.198 0.370 326 1HA GLY 44 1HA GLY 44 1.245 10.795 2.734 327 2HA GLY 44 2HA GLY 44 0.089 9.605 2.152 328 H ILE 45 H ILE 45 1.985 7.428 2.087 329 HA ILE 45 HA ILE 45 1.729 6.511 4.759 330 HB ILE 45 HB ILE 45 2.649 5.406 2.197 331 1HG1 ILE 45 1HG1 ILE 45 0.456 4.915 3.205 332 2HG1 ILE 45 2HG1 ILE 45 1.394 3.448 2.950 333 1HG2 ILE 45 1HG2 ILE 45 4.725 5.035 3.369 334 2HG2 ILE 45 2HG2 ILE 45 3.878 3.502 3.160 335 3HG2 ILE 45 3HG2 ILE 45 3.865 4.310 4.728 336 1HD1 ILE 45 1HD1 ILE 45 1.067 4.888 5.573 337 2HD1 ILE 45 2HD1 ILE 45 1.966 3.393 5.313 338 3HD1 ILE 45 3HD1 ILE 45 0.218 3.424 5.079 339 H GLU 46 H GLU 46 4.262 8.101 2.996 340 HA GLU 46 HA GLU 46 6.500 7.540 4.537 341 1HB GLU 46 1HB GLU 46 6.596 8.817 2.452 342 2HB GLU 46 2HB GLU 46 5.715 10.141 3.198 343 1HG GLU 46 1HG GLU 46 7.606 10.438 4.785 344 2HG GLU 46 2HG GLU 46 8.494 9.201 3.893 345 H GLU 47 H GLU 47 4.251 10.299 4.937 346 HA GLU 47 HA GLU 47 5.339 11.019 7.479 347 1HB GLU 47 1HB GLU 47 3.430 12.566 7.657 348 2HB GLU 47 2HB GLU 47 4.265 12.719 6.119 349 1HG GLU 47 1HG GLU 47 2.524 11.623 4.951 350 2HG GLU 47 2HG GLU 47 1.765 11.080 6.447 351 H ALA 48 H ALA 48 2.859 8.846 6.412 352 HA ALA 48 HA ALA 48 1.133 8.781 8.561 353 1HB ALA 48 1HB ALA 48 0.464 6.570 7.815 354 2HB ALA 48 2HB ALA 48 1.934 6.432 6.849 355 3HB ALA 48 3HB ALA 48 0.717 7.640 6.435 356 H PHE 49 H PHE 49 4.065 6.704 8.135 357 HA PHE 49 HA PHE 49 4.000 6.428 11.064 358 1HB PHE 49 1HB PHE 49 4.701 4.101 10.957 359 2HB PHE 49 2HB PHE 49 3.155 4.348 10.165 360 HD1 PHE 49 HD1 PHE 49 6.693 3.496 9.674 361 HD2 PHE 49 HD2 PHE 49 2.906 4.015 7.788 362 HE1 PHE 49 HE1 PHE 49 7.516 2.286 7.694 363 HE2 PHE 49 HE2 PHE 49 3.731 2.821 5.808 364 HZ PHE 49 HZ PHE 49 6.036 1.959 5.752 365 H ASP 50 H ASP 50 6.096 6.611 8.196 366 HA ASP 50 HA ASP 50 8.196 7.763 9.666 367 1HB ASP 50 1HB ASP 50 8.270 5.352 10.539 368 2HB ASP 50 2HB ASP 50 8.865 4.905 8.945 369 H ILE 51 H ILE 51 8.118 5.339 7.005 370 HA ILE 51 HA ILE 51 9.137 7.396 5.171 371 HB ILE 51 HB ILE 51 10.820 5.974 4.193 372 1HG1 ILE 51 1HG1 ILE 51 9.804 3.769 4.567 373 2HG1 ILE 51 2HG1 ILE 51 11.475 3.796 5.105 374 1HG2 ILE 51 1HG2 ILE 51 12.474 5.877 5.994 375 2HG2 ILE 51 2HG2 ILE 51 11.189 6.129 7.174 376 3HG2 ILE 51 3HG2 ILE 51 11.562 7.387 5.997 377 1HD1 ILE 51 1HD1 ILE 51 10.209 2.555 6.680 378 2HD1 ILE 51 2HD1 ILE 51 9.003 3.829 6.816 379 3HD1 ILE 51 3HD1 ILE 51 10.631 4.089 7.442 380 H GLU 52 H GLU 52 9.293 6.393 2.880 381 HA GLU 52 HA GLU 52 6.851 4.838 2.394 382 1HB GLU 52 1HB GLU 52 7.434 5.718 -0.077 383 2HB GLU 52 2HB GLU 52 6.445 6.618 1.056 384 1HG GLU 52 1HG GLU 52 8.054 8.043 -0.073 385 2HG GLU 52 2HG GLU 52 8.328 8.003 1.665 386 H PHE 53 H PHE 53 7.005 3.522 0.314 387 HA PHE 53 HA PHE 53 8.785 1.424 0.953 388 1HB PHE 53 1HB PHE 53 7.086 1.716 -1.532 389 2HB PHE 53 2HB PHE 53 7.702 0.219 -0.837 390 HD1 PHE 53 HD1 PHE 53 7.019 -0.108 1.736 391 HD2 PHE 53 HD2 PHE 53 4.886 2.241 -1.107 392 HE1 PHE 53 HE1 PHE 53 4.988 -0.295 3.112 393 HE2 PHE 53 HE2 PHE 53 2.852 2.053 0.266 394 HZ PHE 53 HZ PHE 53 2.902 0.789 2.378 395 HA PRO 54 HA PRO 54 12.182 2.680 -1.674 396 1HB PRO 54 1HB PRO 54 13.854 0.665 -1.119 397 2HB PRO 54 2HB PRO 54 13.431 1.866 0.113 398 1HG PRO 54 1HG PRO 54 12.311 -0.890 -0.296 399 2HG PRO 54 2HG PRO 54 12.853 -0.118 1.208 400 1HD PRO 54 1HD PRO 54 10.228 -0.232 0.444 401 2HD PRO 54 2HD PRO 54 10.894 1.068 1.453 402 H ASP 55 H ASP 55 13.310 1.955 -3.551 403 HA ASP 55 HA ASP 55 11.651 0.881 -5.495 404 1HB ASP 55 1HB ASP 55 14.675 1.047 -5.540 405 2HB ASP 55 2HB ASP 55 13.641 0.836 -6.950 406 H ASN 56 H ASN 56 13.980 -0.740 -3.444 407 HA ASN 56 HA ASN 56 14.422 -3.054 -4.925 408 1HB ASN 56 1HB ASN 56 14.474 -2.574 -1.945 409 2HB ASN 56 2HB ASN 56 14.889 -4.135 -2.645 410 1HD2 ASN 56 1HD2 ASN 56 16.586 -2.388 -1.115 411 2HD2 ASN 56 2HD2 ASN 56 17.916 -1.960 -2.132 412 H LEU 57 H LEU 57 11.553 -2.144 -3.177 413 HA LEU 57 HA LEU 57 10.542 -4.889 -3.572 414 1HB LEU 57 1HB LEU 57 9.132 -4.637 -1.595 415 2HB LEU 57 2HB LEU 57 10.834 -4.502 -1.212 416 HG LEU 57 HG LEU 57 10.439 -1.937 -1.264 417 1HD1 LEU 57 1HD1 LEU 57 7.590 -2.899 -0.982 418 2HD1 LEU 57 2HD1 LEU 57 8.245 -1.905 -2.283 419 3HD1 LEU 57 3HD1 LEU 57 8.150 -1.261 -0.647 420 1HD2 LEU 57 1HD2 LEU 57 9.224 -3.635 0.920 421 2HD2 LEU 57 2HD2 LEU 57 9.713 -1.947 1.076 422 3HD2 LEU 57 3HD2 LEU 57 10.924 -3.190 0.767 423 H LEU 58 H LEU 58 10.225 -1.820 -4.716 424 HA LEU 58 HA LEU 58 7.434 -1.422 -4.739 425 1HB LEU 58 1HB LEU 58 9.569 -0.430 -6.632 426 2HB LEU 58 2HB LEU 58 7.889 0.068 -6.724 427 HG LEU 58 HG LEU 58 9.764 0.572 -4.403 428 1HD1 LEU 58 1HD1 LEU 58 10.256 1.965 -6.340 429 2HD1 LEU 58 2HD1 LEU 58 9.547 2.924 -5.041 430 3HD1 LEU 58 3HD1 LEU 58 8.565 2.461 -6.431 431 1HD2 LEU 58 1HD2 LEU 58 7.489 0.217 -3.613 432 2HD2 LEU 58 2HD2 LEU 58 6.879 1.383 -4.787 433 3HD2 LEU 58 3HD2 LEU 58 7.931 1.918 -3.477 434 H ASN 59 H ASN 59 9.522 -2.635 -7.381 435 HA ASN 59 HA ASN 59 7.217 -3.571 -8.859 436 1HB ASN 59 1HB ASN 59 10.188 -3.877 -9.399 437 2HB ASN 59 2HB ASN 59 8.914 -4.389 -10.501 438 1HD2 ASN 59 1HD2 ASN 59 7.801 -2.857 -11.685 439 2HD2 ASN 59 2HD2 ASN 59 8.297 -1.201 -11.771 440 H ARG 60 H ARG 60 6.593 -4.920 -6.935 441 HA ARG 60 HA ARG 60 7.452 -7.666 -7.380 442 1HB ARG 60 1HB ARG 60 7.692 -6.289 -4.692 443 2HB ARG 60 2HB ARG 60 7.642 -8.036 -4.867 444 1HG ARG 60 1HG ARG 60 9.680 -7.890 -6.295 445 2HG ARG 60 2HG ARG 60 9.756 -6.164 -5.924 446 1HD ARG 60 1HD ARG 60 9.932 -6.694 -3.533 447 2HD ARG 60 2HD ARG 60 9.858 -8.414 -3.911 448 HE ARG 60 HE ARG 60 12.003 -6.868 -5.148 449 1HH1 ARG 60 1HH1 ARG 60 11.014 -9.144 -2.670 450 2HH1 ARG 60 2HH1 ARG 60 12.640 -9.605 -2.270 451 1HH2 ARG 60 1HH2 ARG 60 14.127 -7.518 -4.665 452 2HH2 ARG 60 2HH2 ARG 60 14.412 -8.697 -3.419 453 H LYS 61 H LYS 61 6.136 -9.038 -5.586 454 HA LYS 61 HA LYS 61 3.363 -8.660 -6.122 455 1HB LYS 61 1HB LYS 61 3.007 -10.588 -4.671 456 2HB LYS 61 2HB LYS 61 4.352 -10.892 -5.762 457 1HG LYS 61 1HG LYS 61 5.948 -10.510 -4.006 458 2HG LYS 61 2HG LYS 61 4.676 -9.983 -2.903 459 1HD LYS 61 1HD LYS 61 4.917 -12.754 -4.090 460 2HD LYS 61 2HD LYS 61 5.426 -12.298 -2.463 461 1HE LYS 61 1HE LYS 61 3.106 -11.652 -1.936 462 2HE LYS 61 2HE LYS 61 2.611 -12.156 -3.552 463 1HZ LYS 61 1HZ LYS 61 3.280 -14.402 -3.033 464 2HZ LYS 61 2HZ LYS 61 2.166 -13.853 -1.886 465 3HZ LYS 61 3HZ LYS 61 3.808 -13.930 -1.500 466 H SER 62 H SER 62 5.366 -7.092 -4.034 467 HA SER 62 HA SER 62 4.382 -6.956 -1.537 468 1HB SER 62 1HB SER 62 5.094 -4.528 -1.569 469 2HB SER 62 2HB SER 62 6.297 -5.659 -2.192 470 HG SER 62 HG SER 62 6.239 -4.148 -3.735 471 H PHE 63 H PHE 63 3.250 -4.697 -4.071 472 HA PHE 63 HA PHE 63 1.094 -3.734 -2.474 473 1HB PHE 63 1HB PHE 63 1.585 -3.437 -5.448 474 2HB PHE 63 2HB PHE 63 0.409 -2.518 -4.514 475 HD1 PHE 63 HD2 PHE 63 1.286 -1.080 -2.585 476 HD2 PHE 63 HD1 PHE 63 3.796 -2.678 -5.637 477 HE1 PHE 63 HE2 PHE 63 3.008 0.594 -2.046 478 HE2 PHE 63 HE1 PHE 63 5.519 -1.010 -5.096 479 HZ PHE 63 HZ PHE 63 5.125 0.630 -3.300 480 H ALA 64 H ALA 64 1.430 -6.564 -4.243 481 HA ALA 64 HA ALA 64 -1.420 -6.853 -4.823 482 1HB ALA 64 1HB ALA 64 0.170 -7.577 -6.532 483 2HB ALA 64 2HB ALA 64 -0.778 -8.940 -5.934 484 3HB ALA 64 3HB ALA 64 0.888 -8.717 -5.394 485 H SER 65 H SER 65 0.773 -7.510 -2.335 486 HA SER 65 HA SER 65 -1.191 -9.156 -0.941 487 1HB SER 65 1HB SER 65 1.692 -10.028 -1.316 488 2HB SER 65 2HB SER 65 0.504 -10.833 -0.291 489 HG SER 65 HG SER 65 -0.576 -10.572 -2.691 490 H ILE 66 H ILE 66 -1.549 -7.705 0.649 491 HA ILE 66 HA ILE 66 0.309 -5.862 1.636 492 HB ILE 66 HB ILE 66 -2.188 -6.901 2.991 493 1HG1 ILE 66 1HG1 ILE 66 -2.658 -5.929 0.792 494 2HG1 ILE 66 2HG1 ILE 66 -3.250 -4.865 2.062 495 1HG2 ILE 66 1HG2 ILE 66 -0.730 -5.813 4.604 496 2HG2 ILE 66 2HG2 ILE 66 -2.134 -4.797 4.275 497 3HG2 ILE 66 3HG2 ILE 66 -0.574 -4.406 3.549 498 1HD1 ILE 66 1HD1 ILE 66 -0.704 -4.501 0.492 499 2HD1 ILE 66 2HD1 ILE 66 -1.288 -3.436 1.772 500 3HD1 ILE 66 3HD1 ILE 66 -2.208 -3.604 0.278 501 H LYS 67 H LYS 67 -0.672 -9.021 2.920 502 HA LYS 67 HA LYS 67 0.743 -8.937 5.317 503 1HB LYS 67 1HB LYS 67 0.626 -11.355 5.382 504 2HB LYS 67 2HB LYS 67 -0.900 -10.696 4.823 505 1HG LYS 67 1HG LYS 67 1.138 -11.620 2.836 506 2HG LYS 67 2HG LYS 67 0.124 -12.793 3.675 507 1HD LYS 67 1HD LYS 67 -1.880 -11.552 2.879 508 2HD LYS 67 2HD LYS 67 -0.816 -10.496 1.950 509 1HE LYS 67 1HE LYS 67 -1.807 -12.303 0.587 510 2HE LYS 67 2HE LYS 67 -0.045 -12.361 0.626 511 1HZ LYS 67 1HZ LYS 67 -1.774 -14.015 2.386 512 2HZ LYS 67 2HZ LYS 67 -0.107 -14.165 2.151 513 3HZ LYS 67 3HZ LYS 67 -1.172 -14.550 0.897 514 H ALA 68 H ALA 68 1.906 -9.410 2.083 515 HA ALA 68 HA ALA 68 4.465 -10.475 2.897 516 1HB ALA 68 1HB ALA 68 5.051 -10.337 0.533 517 2HB ALA 68 2HB ALA 68 3.576 -9.426 0.207 518 3HB ALA 68 3HB ALA 68 3.477 -11.105 0.739 519 H ILE 69 H ILE 69 3.298 -7.393 1.517 520 HA ILE 69 HA ILE 69 5.823 -6.134 1.472 521 HB ILE 69 HB ILE 69 3.914 -5.353 0.119 522 1HG1 ILE 69 1HG1 ILE 69 4.980 -3.217 1.992 523 2HG1 ILE 69 2HG1 ILE 69 5.827 -3.843 0.580 524 1HG2 ILE 69 1HG2 ILE 69 2.796 -4.309 2.724 525 2HG2 ILE 69 2HG2 ILE 69 2.128 -5.624 1.759 526 3HG2 ILE 69 3HG2 ILE 69 2.145 -3.983 1.117 527 1HD1 ILE 69 1HD1 ILE 69 4.806 -1.702 0.109 528 2HD1 ILE 69 2HD1 ILE 69 3.222 -2.332 0.561 529 3HD1 ILE 69 3HD1 ILE 69 4.052 -2.970 -0.859 530 H GLU 70 H GLU 70 3.385 -6.402 3.980 531 HA GLU 70 HA GLU 70 4.292 -4.310 5.626 532 1HB GLU 70 1HB GLU 70 2.994 -5.341 7.409 533 2HB GLU 70 2HB GLU 70 2.085 -5.320 5.910 534 1HG GLU 70 1HG GLU 70 1.592 -7.417 6.635 535 2HG GLU 70 2HG GLU 70 3.025 -7.769 5.677 536 H ASP 71 H ASP 71 5.419 -7.561 5.159 537 HA ASP 71 HA ASP 71 7.024 -7.674 7.527 538 1HB ASP 71 1HB ASP 71 6.206 -9.699 6.345 539 2HB ASP 71 2HB ASP 71 7.244 -9.306 4.980 540 H THR 72 H THR 72 7.720 -7.142 4.087 541 HA THR 72 HA THR 72 10.497 -6.954 4.317 542 HB THR 72 HB THR 72 8.838 -5.527 2.227 543 HG1 THR 72 HG1 THR 72 9.454 -8.278 2.568 544 1HG2 THR 72 1HG2 THR 72 11.595 -6.781 2.141 545 2HG2 THR 72 2HG2 THR 72 11.243 -5.053 2.159 546 3HG2 THR 72 3HG2 THR 72 10.765 -6.033 0.774 547 H VAL 73 H VAL 73 7.992 -4.462 4.609 548 HA VAL 73 HA VAL 73 9.757 -2.246 4.550 549 HB VAL 73 HB VAL 73 7.342 -2.000 4.148 550 1HG1 VAL 73 1HG1 VAL 73 5.755 -1.975 6.029 551 2HG1 VAL 73 2HG1 VAL 73 7.035 -2.548 7.101 552 3HG1 VAL 73 3HG1 VAL 73 6.471 -3.569 5.779 553 1HG2 VAL 73 1HG2 VAL 73 8.636 -0.031 4.782 554 2HG2 VAL 73 2HG2 VAL 73 8.338 -0.364 6.489 555 3HG2 VAL 73 3HG2 VAL 73 6.997 0.070 5.428 556 H LYS 74 H LYS 74 8.789 -4.433 7.105 557 HA LYS 74 HA LYS 74 9.533 -2.873 9.337 558 1HB LYS 74 1HB LYS 74 9.577 -5.887 9.020 559 2HB LYS 74 2HB LYS 74 9.685 -5.028 10.552 560 1HG LYS 74 1HG LYS 74 7.456 -4.144 10.264 561 2HG LYS 74 2HG LYS 74 7.346 -4.872 8.660 562 1HD LYS 74 1HD LYS 74 7.618 -7.115 9.738 563 2HD LYS 74 2HD LYS 74 7.525 -6.315 11.310 564 1HE LYS 74 1HE LYS 74 5.293 -5.475 10.750 565 2HE LYS 74 2HE LYS 74 5.388 -6.260 9.173 566 1HZ LYS 74 1HZ LYS 74 5.645 -8.396 10.400 567 2HZ LYS 74 2HZ LYS 74 4.140 -7.653 10.589 568 3HZ LYS 74 3HZ LYS 74 5.287 -7.565 11.830 569 H LEU 75 H LEU 75 11.369 -4.862 7.124 570 HA LEU 75 HA LEU 75 13.757 -5.110 8.568 571 1HB LEU 75 1HB LEU 75 13.382 -4.896 5.572 572 2HB LEU 75 2HB LEU 75 14.820 -5.502 6.376 573 HG LEU 75 HG LEU 75 12.081 -6.788 6.489 574 1HD1 LEU 75 1HD1 LEU 75 14.570 -7.623 5.001 575 2HD1 LEU 75 2HD1 LEU 75 13.087 -6.994 4.282 576 3HD1 LEU 75 3HD1 LEU 75 13.072 -8.549 5.113 577 1HD2 LEU 75 1HD2 LEU 75 13.353 -7.176 8.533 578 2HD2 LEU 75 2HD2 LEU 75 14.737 -7.724 7.587 579 3HD2 LEU 75 3HD2 LEU 75 13.238 -8.654 7.580 580 H ILE 76 H ILE 76 12.431 -2.477 6.702 581 HA ILE 76 HA ILE 76 14.765 -0.879 6.503 582 HB ILE 76 HB ILE 76 11.884 0.053 6.645 583 1HG1 ILE 76 1HG1 ILE 76 13.533 -0.632 4.191 584 2HG1 ILE 76 2HG1 ILE 76 12.261 -1.647 4.864 585 1HG2 ILE 76 1HG2 ILE 76 14.341 1.397 5.506 586 2HG2 ILE 76 2HG2 ILE 76 13.481 1.862 6.975 587 3HG2 ILE 76 3HG2 ILE 76 12.693 2.019 5.406 588 1HD1 ILE 76 1HD1 ILE 76 11.438 -0.415 2.967 589 2HD1 ILE 76 2HD1 ILE 76 11.922 1.109 3.708 590 3HD1 ILE 76 3HD1 ILE 76 10.638 0.143 4.435 591 H LEU 77 H LEU 77 12.014 -0.815 8.758 592 HA LEU 77 HA LEU 77 13.007 1.219 10.436 593 1HB LEU 77 1HB LEU 77 10.986 -0.975 10.924 594 2HB LEU 77 2HB LEU 77 11.372 0.235 12.133 595 HG LEU 77 HG LEU 77 9.339 0.874 11.031 596 1HD1 LEU 77 1HD1 LEU 77 11.614 2.599 10.059 597 2HD1 LEU 77 2HD1 LEU 77 10.838 2.687 11.641 598 3HD1 LEU 77 3HD1 LEU 77 9.923 3.089 10.188 599 1HD2 LEU 77 1HD2 LEU 77 9.600 -0.385 8.956 600 2HD2 LEU 77 2HD2 LEU 77 10.852 0.737 8.421 601 3HD2 LEU 77 3HD2 LEU 77 9.194 1.301 8.630 602 H ASP 78 H ASP 78 13.566 -2.208 10.313 603 HA ASP 78 HA ASP 78 14.653 -2.595 12.882 604 1HB ASP 78 1HB ASP 78 13.980 -4.495 11.541 605 2HB ASP 78 2HB ASP 78 15.137 -4.076 10.283 606 H GLY 79 H GLY 79 15.992 -1.208 9.980 607 1HA GLY 79 1HA GLY 79 18.404 -0.488 11.437 608 2HA GLY 79 2HA GLY 79 18.651 -1.564 10.070 609 H LYS 80 H LYS 80 16.821 1.420 10.778 610 HA LYS 80 HA LYS 80 16.983 2.432 8.141 611 1HB LYS 80 1HB LYS 80 16.548 3.880 10.753 612 2HB LYS 80 2HB LYS 80 16.402 4.627 9.169 613 1HG LYS 80 1HG LYS 80 14.698 2.689 8.732 614 2HG LYS 80 2HG LYS 80 14.623 2.635 10.498 615 1HD LYS 80 1HD LYS 80 14.155 5.063 8.775 616 2HD LYS 80 2HD LYS 80 12.899 4.109 9.566 617 1HE LYS 80 1HE LYS 80 13.747 4.725 11.749 618 2HE LYS 80 2HE LYS 80 15.113 5.566 11.021 619 1HZ LYS 80 1HZ LYS 80 13.321 7.063 11.743 620 2HZ LYS 80 2HZ LYS 80 12.271 6.330 10.640 621 3HZ LYS 80 3HZ LYS 80 13.624 7.172 10.084 622 H GLU 81 H GLU 81 18.541 3.783 11.031 623 HA GLU 81 HA GLU 81 20.426 4.995 11.349 624 1HB GLU 81 1HB GLU 81 21.395 2.759 10.631 625 2HB GLU 81 2HB GLU 81 21.603 3.453 9.029 626 1HG GLU 81 1HG GLU 81 23.111 5.130 9.911 627 2HG GLU 81 2HG GLU 81 22.835 4.552 11.554 628 H ALA 82 H ALA 82 18.394 5.658 9.163 629 HA ALA 82 HA ALA 82 19.896 7.399 7.401 630 1HB ALA 82 1HB ALA 82 17.701 7.973 6.466 631 2HB ALA 82 2HB ALA 82 16.910 7.034 7.734 632 3HB ALA 82 3HB ALA 82 17.927 6.224 6.541 633 H ALA 83 H ALA 83 20.753 9.101 8.426 634 HA ALA 83 HA ALA 83 18.948 10.941 9.815 635 1HB ALA 83 1HB ALA 83 21.579 10.011 10.985 636 2HB ALA 83 2HB ALA 83 19.974 9.588 11.583 637 3HB ALA 83 3HB ALA 83 20.529 11.260 11.655 Start of MODEL 20 1 HA MET 1 HA MET 1 1.765 1.039 9.678 2 1HB MET 1 1HB MET 1 3.632 0.257 11.109 3 2HB MET 1 2HB MET 1 3.194 -1.409 10.751 4 1HG MET 1 1HG MET 1 3.504 -0.686 8.270 5 2HG MET 1 2HG MET 1 4.424 0.648 8.960 6 1HE MET 1 1HE MET 1 7.331 -1.228 10.805 7 2HE MET 1 2HE MET 1 5.801 -0.709 11.511 8 3HE MET 1 3HE MET 1 6.651 0.343 10.379 9 H ASN 2 H ASN 2 1.243 -2.448 10.350 10 HA ASN 2 HA ASN 2 1.252 -3.251 7.677 11 1HB ASN 2 1HB ASN 2 0.271 -5.357 8.448 12 2HB ASN 2 2HB ASN 2 1.542 -4.826 9.541 13 1HD2 ASN 2 1HD2 ASN 2 -0.662 -6.661 10.017 14 2HD2 ASN 2 2HD2 ASN 2 -1.561 -6.006 11.342 15 H ALA 3 H ALA 3 -1.522 -2.480 9.769 16 HA ALA 3 HA ALA 3 -3.426 -2.815 7.628 17 1HB ALA 3 1HB ALA 3 -4.058 -3.239 9.965 18 2HB ALA 3 2HB ALA 3 -5.072 -1.992 9.241 19 3HB ALA 3 3HB ALA 3 -3.778 -1.542 10.352 20 H THR 4 H THR 4 -1.640 -0.230 9.119 21 HA THR 4 HA THR 4 -2.876 2.051 8.196 22 HB THR 4 HB THR 4 0.116 1.584 8.343 23 HG1 THR 4 HG1 THR 4 -1.805 2.176 10.359 24 1HG2 THR 4 1HG2 THR 4 -1.500 4.111 8.706 25 2HG2 THR 4 2HG2 THR 4 -0.523 3.709 7.294 26 3HG2 THR 4 3HG2 THR 4 0.254 3.962 8.858 27 H ILE 5 H ILE 5 -0.609 -0.079 6.535 28 HA ILE 5 HA ILE 5 -0.107 1.341 4.220 29 HB ILE 5 HB ILE 5 -0.468 -1.656 4.474 30 1HG1 ILE 5 1HG1 ILE 5 2.084 -0.018 4.577 31 2HG1 ILE 5 2HG1 ILE 5 1.235 -0.600 6.004 32 1HG2 ILE 5 1HG2 ILE 5 -0.559 -0.965 2.141 33 2HG2 ILE 5 2HG2 ILE 5 0.965 -1.789 2.465 34 3HG2 ILE 5 3HG2 ILE 5 0.925 -0.030 2.335 35 1HD1 ILE 5 1HD1 ILE 5 3.129 -2.014 5.434 36 2HD1 ILE 5 2HD1 ILE 5 2.425 -2.332 3.849 37 3HD1 ILE 5 3HD1 ILE 5 1.608 -2.895 5.308 38 H ARG 6 H ARG 6 -2.663 -1.156 4.608 39 HA ARG 6 HA ARG 6 -3.816 -0.502 2.079 40 1HB ARG 6 1HB ARG 6 -5.535 -2.114 2.603 41 2HB ARG 6 2HB ARG 6 -3.976 -2.762 3.075 42 1HG ARG 6 1HG ARG 6 -5.198 -3.372 4.892 43 2HG ARG 6 2HG ARG 6 -4.668 -1.781 5.438 44 1HD ARG 6 1HD ARG 6 -6.798 -0.814 4.720 45 2HD ARG 6 2HD ARG 6 -7.321 -2.386 4.114 46 HE ARG 6 HE ARG 6 -6.722 -1.928 6.969 47 1HH1 ARG 6 1HH1 ARG 6 -8.865 -3.077 4.444 48 2HH1 ARG 6 2HH1 ARG 6 -10.016 -3.750 5.556 49 1HH2 ARG 6 1HH2 ARG 6 -8.243 -2.818 8.431 50 2HH2 ARG 6 2HH2 ARG 6 -9.668 -3.599 7.811 51 H GLU 7 H GLU 7 -4.209 0.655 5.298 52 HA GLU 7 HA GLU 7 -6.799 1.744 5.136 53 1HB GLU 7 1HB GLU 7 -5.560 1.428 7.253 54 2HB GLU 7 2HB GLU 7 -4.437 2.695 6.781 55 1HG GLU 7 1HG GLU 7 -6.311 4.309 6.775 56 2HG GLU 7 2HG GLU 7 -7.382 3.025 7.335 57 H ILE 8 H ILE 8 -3.606 3.078 4.305 58 HA ILE 8 HA ILE 8 -4.510 5.719 3.918 59 HB ILE 8 HB ILE 8 -2.084 5.081 4.185 60 1HG1 ILE 8 1HG1 ILE 8 -2.869 6.832 1.841 61 2HG1 ILE 8 2HG1 ILE 8 -2.775 7.333 3.525 62 1HG2 ILE 8 1HG2 ILE 8 -1.965 3.256 2.592 63 2HG2 ILE 8 2HG2 ILE 8 -0.820 4.521 2.153 64 3HG2 ILE 8 3HG2 ILE 8 -2.335 4.354 1.265 65 1HD1 ILE 8 1HD1 ILE 8 -0.475 6.456 1.805 66 2HD1 ILE 8 2HD1 ILE 8 -0.372 6.934 3.500 67 3HD1 ILE 8 3HD1 ILE 8 -0.867 8.108 2.280 68 H LEU 9 H LEU 9 -4.471 2.924 1.796 69 HA LEU 9 HA LEU 9 -4.774 4.205 -0.670 70 1HB LEU 9 1HB LEU 9 -5.644 1.509 0.333 71 2HB LEU 9 2HB LEU 9 -6.101 2.040 -1.271 72 HG LEU 9 HG LEU 9 -4.146 0.633 -1.420 73 1HD1 LEU 9 1HD1 LEU 9 -4.285 2.468 -3.009 74 2HD1 LEU 9 2HD1 LEU 9 -2.606 2.121 -2.593 75 3HD1 LEU 9 3HD1 LEU 9 -3.417 3.522 -1.891 76 1HD2 LEU 9 1HD2 LEU 9 -3.282 0.961 0.845 77 2HD2 LEU 9 2HD2 LEU 9 -2.777 2.597 0.416 78 3HD2 LEU 9 3HD2 LEU 9 -2.029 1.207 -0.372 79 H ALA 10 H ALA 10 -7.073 3.696 1.894 80 HA ALA 10 HA ALA 10 -9.413 4.130 0.299 81 1HB ALA 10 1HB ALA 10 -9.485 2.829 2.374 82 2HB ALA 10 2HB ALA 10 -10.608 4.187 2.425 83 3HB ALA 10 3HB ALA 10 -9.077 4.275 3.298 84 H LYS 11 H LYS 11 -7.186 6.189 2.008 85 HA LYS 11 HA LYS 11 -9.043 8.466 1.750 86 1HB LYS 11 1HB LYS 11 -7.652 9.500 3.586 87 2HB LYS 11 2HB LYS 11 -8.593 8.087 4.043 88 1HG LYS 11 1HG LYS 11 -6.527 6.707 3.771 89 2HG LYS 11 2HG LYS 11 -5.626 8.202 3.514 90 1HD LYS 11 1HD LYS 11 -6.309 8.993 5.741 91 2HD LYS 11 2HD LYS 11 -7.216 7.501 5.992 92 1HE LYS 11 1HE LYS 11 -5.115 6.218 5.783 93 2HE LYS 11 2HE LYS 11 -4.227 7.731 5.603 94 1HZ LYS 11 1HZ LYS 11 -4.070 7.015 7.855 95 2HZ LYS 11 2HZ LYS 11 -5.742 6.824 7.988 96 3HZ LYS 11 3HZ LYS 11 -5.080 8.371 7.824 97 H PHE 12 H PHE 12 -6.070 7.248 0.596 98 HA PHE 12 HA PHE 12 -5.497 9.857 -0.650 99 1HB PHE 12 1HB PHE 12 -3.572 7.970 0.680 100 2HB PHE 12 2HB PHE 12 -3.020 9.027 -0.612 101 HD1 PHE 12 HD1 PHE 12 -3.040 11.474 -0.314 102 HD2 PHE 12 HD2 PHE 12 -4.094 8.840 2.864 103 HE1 PHE 12 HE1 PHE 12 -2.770 13.312 1.298 104 HE2 PHE 12 HE2 PHE 12 -3.826 10.676 4.478 105 HZ PHE 12 HZ PHE 12 -3.162 12.914 3.697 106 H GLY 13 H GLY 13 -5.402 6.357 -0.931 107 1HA GLY 13 1HA GLY 13 -4.131 6.206 -3.449 108 2HA GLY 13 2HA GLY 13 -5.126 4.955 -2.725 109 H GLN 14 H GLN 14 -4.834 6.737 -5.400 110 HA GLN 14 HA GLN 14 -7.569 7.488 -5.871 111 1HB GLN 14 1HB GLN 14 -5.223 7.254 -7.775 112 2HB GLN 14 2HB GLN 14 -6.796 7.921 -8.199 113 1HG GLN 14 1HG GLN 14 -4.879 9.029 -6.152 114 2HG GLN 14 2HG GLN 14 -5.200 9.690 -7.755 115 1HE2 GLN 14 1HE2 GLN 14 -7.181 10.722 -8.143 116 2HE2 GLN 14 2HE2 GLN 14 -8.185 11.284 -6.854 117 H LEU 15 H LEU 15 -8.123 5.188 -5.139 118 HA LEU 15 HA LEU 15 -8.068 3.225 -7.299 119 1HB LEU 15 1HB LEU 15 -7.588 2.652 -4.870 120 2HB LEU 15 2HB LEU 15 -9.278 2.973 -4.535 121 HG LEU 15 HG LEU 15 -9.899 1.132 -6.101 122 1HD1 LEU 15 1HD1 LEU 15 -7.885 1.178 -7.497 123 2HD1 LEU 15 2HD1 LEU 15 -8.194 -0.430 -6.847 124 3HD1 LEU 15 3HD1 LEU 15 -6.934 0.579 -6.139 125 1HD2 LEU 15 1HD2 LEU 15 -9.250 -0.697 -4.615 126 2HD2 LEU 15 2HD2 LEU 15 -9.747 0.723 -3.695 127 3HD2 LEU 15 3HD2 LEU 15 -8.034 0.336 -3.861 128 HA PRO 16 HA PRO 16 -12.170 4.598 -8.515 129 1HB PRO 16 1HB PRO 16 -12.695 2.682 -10.358 130 2HB PRO 16 2HB PRO 16 -11.564 4.005 -10.668 131 1HG PRO 16 1HG PRO 16 -11.011 1.164 -9.921 132 2HG PRO 16 2HG PRO 16 -10.149 2.213 -11.063 133 1HD PRO 16 1HD PRO 16 -9.298 1.680 -8.501 134 2HD PRO 16 2HD PRO 16 -8.859 3.144 -9.410 135 H THR 17 H THR 17 -11.332 1.669 -7.066 136 HA THR 17 HA THR 17 -14.113 0.882 -6.569 137 HB THR 17 HB THR 17 -11.508 -0.615 -6.699 138 HG1 THR 17 HG1 THR 17 -12.343 -1.003 -8.585 139 1HG2 THR 17 1HG2 THR 17 -12.564 -1.395 -4.669 140 2HG2 THR 17 2HG2 THR 17 -12.656 -2.636 -5.918 141 3HG2 THR 17 3HG2 THR 17 -14.079 -1.666 -5.531 142 HA PRO 18 HA PRO 18 -13.468 2.180 -2.340 143 1HB PRO 18 1HB PRO 18 -15.276 0.513 -1.099 144 2HB PRO 18 2HB PRO 18 -15.717 2.004 -1.935 145 1HG PRO 18 1HG PRO 18 -15.861 -0.824 -2.904 146 2HG PRO 18 2HG PRO 18 -17.016 0.502 -3.137 147 1HD PRO 18 1HD PRO 18 -15.287 -0.265 -5.071 148 2HD PRO 18 2HD PRO 18 -15.792 1.424 -4.879 149 H VAL 19 H VAL 19 -11.749 1.629 -1.165 150 HA VAL 19 HA VAL 19 -10.407 -0.826 -1.314 151 HB VAL 19 HB VAL 19 -10.211 1.293 0.845 152 1HG1 VAL 19 1HG1 VAL 19 -7.947 0.405 1.243 153 2HG1 VAL 19 2HG1 VAL 19 -8.269 -0.899 0.100 154 3HG1 VAL 19 3HG1 VAL 19 -9.197 -0.788 1.596 155 1HG2 VAL 19 1HG2 VAL 19 -9.807 2.209 -1.375 156 2HG2 VAL 19 2HG2 VAL 19 -8.640 0.931 -1.710 157 3HG2 VAL 19 3HG2 VAL 19 -8.298 2.130 -0.464 158 H ASP 20 H ASP 20 -13.081 0.148 0.587 159 HA ASP 20 HA ASP 20 -12.961 -1.537 2.793 160 1HB ASP 20 1HB ASP 20 -14.648 0.206 2.567 161 2HB ASP 20 2HB ASP 20 -15.373 -0.629 1.198 162 H THR 21 H THR 21 -13.592 -2.327 -0.546 163 HA THR 21 HA THR 21 -14.818 -4.882 0.117 164 HB THR 21 HB THR 21 -15.583 -3.440 -1.834 165 HG1 THR 21 HG1 THR 21 -15.880 -5.846 -1.539 166 1HG2 THR 21 1HG2 THR 21 -13.346 -2.891 -2.728 167 2HG2 THR 21 2HG2 THR 21 -14.377 -3.645 -3.942 168 3HG2 THR 21 3HG2 THR 21 -13.112 -4.584 -3.152 169 H ILE 22 H ILE 22 -11.661 -3.675 -0.668 170 HA ILE 22 HA ILE 22 -10.700 -6.359 -1.372 171 HB ILE 22 HB ILE 22 -8.542 -5.268 -1.937 172 1HG1 ILE 22 1HG1 ILE 22 -10.022 -2.679 -1.392 173 2HG1 ILE 22 2HG1 ILE 22 -8.726 -3.336 -0.401 174 1HG2 ILE 22 1HG2 ILE 22 -10.936 -4.075 -3.340 175 2HG2 ILE 22 2HG2 ILE 22 -10.206 -5.643 -3.676 176 3HG2 ILE 22 3HG2 ILE 22 -9.297 -4.164 -3.993 177 1HD1 ILE 22 1HD1 ILE 22 -7.923 -1.560 -1.839 178 2HD1 ILE 22 2HD1 ILE 22 -8.476 -2.438 -3.264 179 3HD1 ILE 22 3HD1 ILE 22 -7.175 -3.096 -2.269 180 H ALA 23 H ALA 23 -8.355 -6.727 -0.465 181 HA ALA 23 HA ALA 23 -8.001 -5.961 2.289 182 1HB ALA 23 1HB ALA 23 -8.696 -8.825 1.613 183 2HB ALA 23 2HB ALA 23 -9.716 -7.697 2.506 184 3HB ALA 23 3HB ALA 23 -8.183 -8.234 3.195 185 H ASP 24 H ASP 24 -6.246 -7.900 3.123 186 HA ASP 24 HA ASP 24 -3.933 -6.948 1.764 187 1HB ASP 24 1HB ASP 24 -2.652 -8.173 3.437 188 2HB ASP 24 2HB ASP 24 -3.977 -7.299 4.197 189 H GLU 25 H GLU 25 -5.678 -10.001 1.657 190 HA GLU 25 HA GLU 25 -3.580 -11.156 -0.045 191 1HB GLU 25 1HB GLU 25 -6.083 -12.480 1.028 192 2HB GLU 25 2HB GLU 25 -4.765 -13.273 0.173 193 1HG GLU 25 1HG GLU 25 -3.270 -12.433 2.065 194 2HG GLU 25 2HG GLU 25 -4.765 -12.100 2.933 195 H ALA 26 H ALA 26 -6.119 -9.201 -0.480 196 HA ALA 26 HA ALA 26 -7.247 -10.470 -2.834 197 1HB ALA 26 1HB ALA 26 -7.723 -7.679 -1.790 198 2HB ALA 26 2HB ALA 26 -8.651 -9.097 -1.303 199 3HB ALA 26 3HB ALA 26 -8.693 -8.546 -2.980 200 H ASP 27 H ASP 27 -7.139 -9.498 -4.938 201 HA ASP 27 HA ASP 27 -4.510 -8.428 -5.508 202 1HB ASP 27 1HB ASP 27 -6.797 -9.076 -7.391 203 2HB ASP 27 2HB ASP 27 -5.143 -8.696 -7.868 204 H LEU 28 H LEU 28 -4.480 -6.364 -4.704 205 HA LEU 28 HA LEU 28 -6.493 -4.456 -4.809 206 1HB LEU 28 1HB LEU 28 -3.491 -4.117 -4.759 207 2HB LEU 28 2HB LEU 28 -4.593 -2.758 -4.666 208 HG LEU 28 HG LEU 28 -5.577 -3.827 -2.588 209 1HD1 LEU 28 1HD1 LEU 28 -4.176 -5.442 -1.388 210 2HD1 LEU 28 2HD1 LEU 28 -3.119 -5.565 -2.795 211 3HD1 LEU 28 3HD1 LEU 28 -4.797 -6.100 -2.902 212 1HD2 LEU 28 1HD2 LEU 28 -4.061 -1.926 -2.481 213 2HD2 LEU 28 2HD2 LEU 28 -2.671 -3.009 -2.520 214 3HD2 LEU 28 3HD2 LEU 28 -3.768 -3.031 -1.139 215 H TYR 29 H TYR 29 -3.949 -5.127 -7.178 216 HA TYR 29 HA TYR 29 -4.514 -2.986 -8.909 217 1HB TYR 29 1HB TYR 29 -3.318 -4.341 -10.645 218 2HB TYR 29 2HB TYR 29 -2.424 -4.127 -9.146 219 HD1 TYR 29 HD1 TYR 29 -2.160 -6.027 -7.579 220 HD2 TYR 29 HD2 TYR 29 -3.984 -6.529 -11.393 221 HE1 TYR 29 HE1 TYR 29 -1.822 -8.452 -7.417 222 HE2 TYR 29 HE2 TYR 29 -3.652 -8.960 -11.237 223 HH TYR 29 HH TYR 29 -2.746 -10.508 -8.334 224 H ALA 30 H ALA 30 -6.006 -6.132 -8.547 225 HA ALA 30 HA ALA 30 -7.463 -6.102 -10.998 226 1HB ALA 30 1HB ALA 30 -8.756 -7.937 -10.045 227 2HB ALA 30 2HB ALA 30 -8.079 -7.611 -8.449 228 3HB ALA 30 3HB ALA 30 -7.033 -8.182 -9.750 229 H ALA 31 H ALA 31 -7.975 -4.774 -7.809 230 HA ALA 31 HA ALA 31 -10.709 -4.022 -8.180 231 1HB ALA 31 1HB ALA 31 -10.354 -2.565 -6.238 232 2HB ALA 31 2HB ALA 31 -8.616 -2.856 -6.334 233 3HB ALA 31 3HB ALA 31 -9.713 -4.183 -5.949 234 H GLY 32 H GLY 32 -7.694 -2.823 -9.235 235 1HA GLY 32 1HA GLY 32 -7.852 -1.497 -11.314 236 2HA GLY 32 2HA GLY 32 -9.053 -0.510 -10.497 237 H LEU 33 H LEU 33 -6.186 -1.648 -8.865 238 HA LEU 33 HA LEU 33 -5.402 1.074 -8.294 239 1HB LEU 33 1HB LEU 33 -5.358 -0.807 -6.618 240 2HB LEU 33 2HB LEU 33 -4.012 -1.497 -7.500 241 HG LEU 33 HG LEU 33 -3.856 1.293 -6.353 242 1HD1 LEU 33 1HD1 LEU 33 -4.471 -0.197 -4.517 243 2HD1 LEU 33 2HD1 LEU 33 -2.804 0.351 -4.358 244 3HD1 LEU 33 3HD1 LEU 33 -3.145 -1.280 -4.940 245 1HD2 LEU 33 1HD2 LEU 33 -1.750 -0.769 -7.037 246 2HD2 LEU 33 2HD2 LEU 33 -1.441 0.822 -6.341 247 3HD2 LEU 33 3HD2 LEU 33 -2.123 0.688 -7.961 248 H SER 34 H SER 34 -4.218 2.196 -9.681 249 HA SER 34 HA SER 34 -2.235 0.815 -11.362 250 1HB SER 34 1HB SER 34 -3.963 2.207 -12.525 251 2HB SER 34 2HB SER 34 -3.352 3.623 -11.672 252 HG SER 34 HG SER 34 -2.386 2.372 -13.882 253 H SER 35 H SER 35 -0.305 2.439 -11.851 254 HA SER 35 HA SER 35 1.207 2.456 -9.503 255 1HB SER 35 1HB SER 35 1.780 4.041 -12.021 256 2HB SER 35 2HB SER 35 2.952 3.514 -10.812 257 HG SER 35 HG SER 35 2.051 2.196 -12.946 258 H PHE 36 H PHE 36 -0.817 4.929 -10.898 259 HA PHE 36 HA PHE 36 0.291 7.156 -9.538 260 1HB PHE 36 1HB PHE 36 -2.462 6.704 -10.714 261 2HB PHE 36 2HB PHE 36 -1.929 8.243 -10.044 262 HD1 PHE 36 HD2 PHE 36 -1.498 5.853 -12.803 263 HD2 PHE 36 HD1 PHE 36 -0.337 9.628 -11.205 264 HE1 PHE 36 HE2 PHE 36 -0.485 6.455 -14.962 265 HE2 PHE 36 HE1 PHE 36 0.677 10.232 -13.364 266 HZ PHE 36 HZ PHE 36 0.606 8.646 -15.244 267 H ALA 37 H ALA 37 -2.317 4.902 -8.722 268 HA ALA 37 HA ALA 37 -3.084 6.225 -6.322 269 1HB ALA 37 1HB ALA 37 -3.489 3.322 -7.070 270 2HB ALA 37 2HB ALA 37 -4.567 4.648 -7.507 271 3HB ALA 37 3HB ALA 37 -4.351 4.212 -5.811 272 H SER 38 H SER 38 -0.674 3.800 -7.115 273 HA SER 38 HA SER 38 -0.155 3.077 -4.396 274 1HB SER 38 1HB SER 38 1.840 1.896 -5.375 275 2HB SER 38 2HB SER 38 0.297 1.437 -6.093 276 HG SER 38 HG SER 38 2.317 3.096 -7.165 277 H VAL 39 H VAL 39 1.510 5.162 -6.775 278 HA VAL 39 HA VAL 39 3.689 5.796 -5.092 279 HB VAL 39 HB VAL 39 4.143 7.697 -6.569 280 1HG1 VAL 39 1HG1 VAL 39 4.431 6.449 -8.671 281 2HG1 VAL 39 2HG1 VAL 39 3.357 5.190 -8.062 282 3HG1 VAL 39 3HG1 VAL 39 4.899 5.495 -7.262 283 1HG2 VAL 39 1HG2 VAL 39 2.690 8.190 -8.487 284 2HG2 VAL 39 2HG2 VAL 39 1.867 8.480 -6.954 285 3HG2 VAL 39 3HG2 VAL 39 1.507 7.028 -7.887 286 H GLN 40 H GLN 40 0.482 7.152 -5.426 287 HA GLN 40 HA GLN 40 0.889 9.477 -3.864 288 1HB GLN 40 1HB GLN 40 -1.067 9.142 -5.364 289 2HB GLN 40 2HB GLN 40 -1.662 7.888 -4.286 290 1HG GLN 40 1HG GLN 40 -2.898 9.855 -3.824 291 2HG GLN 40 2HG GLN 40 -1.790 9.613 -2.477 292 1HE2 GLN 40 1HE2 GLN 40 -2.596 11.586 -5.208 293 2HE2 GLN 40 2HE2 GLN 40 -1.551 12.906 -4.822 294 H LEU 41 H LEU 41 0.052 6.145 -3.090 295 HA LEU 41 HA LEU 41 -0.664 6.633 -0.382 296 1HB LEU 41 1HB LEU 41 -1.176 4.429 -0.303 297 2HB LEU 41 2HB LEU 41 -1.017 4.536 -2.039 298 HG LEU 41 HG LEU 41 1.497 3.830 -1.517 299 1HD1 LEU 41 1HD1 LEU 41 -0.012 2.674 0.828 300 2HD1 LEU 41 2HD1 LEU 41 1.276 3.878 0.912 301 3HD1 LEU 41 3HD1 LEU 41 1.630 2.248 0.340 302 1HD2 LEU 41 1HD2 LEU 41 0.864 1.497 -1.873 303 2HD2 LEU 41 2HD2 LEU 41 -0.052 2.575 -2.923 304 3HD2 LEU 41 3HD2 LEU 41 -0.814 1.886 -1.491 305 H MET 42 H MET 42 2.353 6.284 -2.024 306 HA MET 42 HA MET 42 3.907 5.304 0.134 307 1HB MET 42 1HB MET 42 4.881 6.986 -2.187 308 2HB MET 42 2HB MET 42 5.852 5.933 -1.168 309 1HG MET 42 1HG MET 42 4.463 4.012 -2.024 310 2HG MET 42 2HG MET 42 3.771 5.145 -3.187 311 1HE MET 42 1HE MET 42 7.084 6.241 -5.110 312 2HE MET 42 2HE MET 42 6.504 6.969 -3.612 313 3HE MET 42 3HE MET 42 5.366 6.574 -4.899 314 H LEU 43 H LEU 43 3.571 8.600 -1.202 315 HA LEU 43 HA LEU 43 5.284 9.804 0.668 316 1HB LEU 43 1HB LEU 43 4.298 11.951 -0.104 317 2HB LEU 43 2HB LEU 43 4.861 10.909 -1.392 318 HG LEU 43 HG LEU 43 2.362 10.178 -1.575 319 1HD1 LEU 43 1HD1 LEU 43 1.543 11.277 0.437 320 2HD1 LEU 43 2HD1 LEU 43 0.767 11.950 -0.993 321 3HD1 LEU 43 3HD1 LEU 43 2.056 12.845 -0.187 322 1HD2 LEU 43 1HD2 LEU 43 3.290 12.909 -2.474 323 2HD2 LEU 43 2HD2 LEU 43 1.933 12.005 -3.152 324 3HD2 LEU 43 3HD2 LEU 43 3.574 11.380 -3.310 325 H GLY 44 H GLY 44 1.858 9.094 0.796 326 1HA GLY 44 1HA GLY 44 1.335 10.672 3.138 327 2HA GLY 44 2HA GLY 44 0.297 9.423 2.463 328 H ILE 45 H ILE 45 2.090 7.290 2.488 329 HA ILE 45 HA ILE 45 1.861 6.413 5.180 330 HB ILE 45 HB ILE 45 2.751 5.255 2.609 331 1HG1 ILE 45 1HG1 ILE 45 0.480 4.945 3.523 332 2HG1 ILE 45 2HG1 ILE 45 1.313 3.409 3.300 333 1HG2 ILE 45 1HG2 ILE 45 3.772 3.258 3.651 334 2HG2 ILE 45 2HG2 ILE 45 3.770 4.103 5.200 335 3HG2 ILE 45 3HG2 ILE 45 4.736 4.720 3.861 336 1HD1 ILE 45 1HD1 ILE 45 0.076 3.434 5.372 337 2HD1 ILE 45 2HD1 ILE 45 0.948 4.871 5.904 338 3HD1 ILE 45 3HD1 ILE 45 1.806 3.344 5.696 339 H GLU 46 H GLU 46 4.403 7.877 3.319 340 HA GLU 46 HA GLU 46 6.652 7.257 4.840 341 1HB GLU 46 1HB GLU 46 6.747 8.456 2.686 342 2HB GLU 46 2HB GLU 46 5.998 9.862 3.431 343 1HG GLU 46 1HG GLU 46 7.944 10.121 4.901 344 2HG GLU 46 2HG GLU 46 8.695 8.715 4.150 345 H GLU 47 H GLU 47 4.528 10.094 5.109 346 HA GLU 47 HA GLU 47 5.697 10.991 7.542 347 1HB GLU 47 1HB GLU 47 3.842 12.607 7.605 348 2HB GLU 47 2HB GLU 47 4.622 12.567 6.030 349 1HG GLU 47 1HG GLU 47 2.800 11.202 5.148 350 2HG GLU 47 2HG GLU 47 2.021 11.211 6.730 351 H ALA 48 H ALA 48 3.157 8.788 6.726 352 HA ALA 48 HA ALA 48 1.492 8.928 8.926 353 1HB ALA 48 1HB ALA 48 0.760 6.679 8.365 354 2HB ALA 48 2HB ALA 48 2.193 6.448 7.361 355 3HB ALA 48 3HB ALA 48 0.982 7.646 6.906 356 H PHE 49 H PHE 49 4.376 6.766 8.577 357 HA PHE 49 HA PHE 49 4.316 6.581 11.519 358 1HB PHE 49 1HB PHE 49 4.907 4.227 11.477 359 2HB PHE 49 2HB PHE 49 3.400 4.504 10.625 360 HD1 PHE 49 HD1 PHE 49 6.955 3.639 10.244 361 HD2 PHE 49 HD2 PHE 49 3.191 4.019 8.287 362 HE1 PHE 49 HE1 PHE 49 7.833 2.386 8.319 363 HE2 PHE 49 HE2 PHE 49 4.067 2.767 6.363 364 HZ PHE 49 HZ PHE 49 6.388 1.951 6.373 365 H ASP 50 H ASP 50 6.373 6.626 8.635 366 HA ASP 50 HA ASP 50 8.531 7.793 9.977 367 1HB ASP 50 1HB ASP 50 8.743 5.599 11.102 368 2HB ASP 50 2HB ASP 50 8.925 4.817 9.534 369 H ILE 51 H ILE 51 8.369 5.185 7.523 370 HA ILE 51 HA ILE 51 9.284 7.106 5.502 371 HB ILE 51 HB ILE 51 10.929 5.644 4.560 372 1HG1 ILE 51 1HG1 ILE 51 9.870 3.468 5.029 373 2HG1 ILE 51 2HG1 ILE 51 11.562 3.479 5.499 374 1HG2 ILE 51 1HG2 ILE 51 11.743 7.090 6.305 375 2HG2 ILE 51 2HG2 ILE 51 12.620 5.560 6.341 376 3HG2 ILE 51 3HG2 ILE 51 11.360 5.883 7.532 377 1HD1 ILE 51 1HD1 ILE 51 10.326 2.301 7.148 378 2HD1 ILE 51 2HD1 ILE 51 9.168 3.618 7.309 379 3HD1 ILE 51 3HD1 ILE 51 10.832 3.837 7.851 380 H GLU 52 H GLU 52 9.369 5.859 3.295 381 HA GLU 52 HA GLU 52 6.800 4.454 2.993 382 1HB GLU 52 1HB GLU 52 7.199 5.379 0.505 383 2HB GLU 52 2HB GLU 52 6.354 6.297 1.739 384 1HG GLU 52 1HG GLU 52 7.898 7.714 0.572 385 2HG GLU 52 2HG GLU 52 8.407 7.519 2.243 386 H PHE 53 H PHE 53 6.729 3.124 0.940 387 HA PHE 53 HA PHE 53 8.633 1.068 1.093 388 1HB PHE 53 1HB PHE 53 6.703 1.658 -1.168 389 2HB PHE 53 2HB PHE 53 7.487 0.112 -0.843 390 HD1 PHE 53 HD1 PHE 53 7.154 -0.596 1.783 391 HD2 PHE 53 HD2 PHE 53 4.480 1.736 -0.576 392 HE1 PHE 53 HE1 PHE 53 5.295 -1.239 3.259 393 HE2 PHE 53 HE2 PHE 53 2.619 1.093 0.899 394 HZ PHE 53 HZ PHE 53 3.027 -0.392 2.819 395 HA PRO 54 HA PRO 54 11.823 3.160 -1.240 396 1HB PRO 54 1HB PRO 54 13.662 1.162 -1.152 397 2HB PRO 54 2HB PRO 54 13.302 2.185 0.246 398 1HG PRO 54 1HG PRO 54 12.256 -0.555 -0.407 399 2HG PRO 54 2HG PRO 54 12.892 0.054 1.135 400 1HD PRO 54 1HD PRO 54 10.246 -0.110 0.665 401 2HD PRO 54 2HD PRO 54 10.940 1.210 1.629 402 H ASP 55 H ASP 55 12.754 3.050 -3.269 403 HA ASP 55 HA ASP 55 11.232 1.983 -5.329 404 1HB ASP 55 1HB ASP 55 12.952 2.743 -6.819 405 2HB ASP 55 2HB ASP 55 12.873 3.891 -5.487 406 H ASN 56 H ASN 56 13.778 0.531 -3.496 407 HA ASN 56 HA ASN 56 14.677 -1.415 -5.304 408 1HB ASN 56 1HB ASN 56 14.596 -1.532 -2.279 409 2HB ASN 56 2HB ASN 56 15.525 -2.616 -3.307 410 1HD2 ASN 56 1HD2 ASN 56 16.305 -0.527 -5.190 411 2HD2 ASN 56 2HD2 ASN 56 17.479 0.446 -4.374 412 H LEU 57 H LEU 57 11.896 -1.404 -3.124 413 HA LEU 57 HA LEU 57 11.217 -4.113 -4.086 414 1HB LEU 57 1HB LEU 57 9.851 -4.412 -2.120 415 2HB LEU 57 2HB LEU 57 11.473 -3.951 -1.651 416 HG LEU 57 HG LEU 57 10.469 -1.540 -1.456 417 1HD1 LEU 57 1HD1 LEU 57 8.105 -1.521 -0.760 418 2HD1 LEU 57 2HD1 LEU 57 7.960 -3.213 -1.240 419 3HD1 LEU 57 3HD1 LEU 57 8.298 -1.978 -2.451 420 1HD2 LEU 57 1HD2 LEU 57 11.334 -2.853 0.413 421 2HD2 LEU 57 2HD2 LEU 57 9.791 -3.695 0.548 422 3HD2 LEU 57 3HD2 LEU 57 9.883 -1.964 0.874 423 H LEU 58 H LEU 58 10.572 -0.975 -4.699 424 HA LEU 58 HA LEU 58 7.754 -0.874 -4.845 425 1HB LEU 58 1HB LEU 58 9.641 0.989 -5.079 426 2HB LEU 58 2HB LEU 58 9.452 0.654 -6.786 427 HG LEU 58 HG LEU 58 8.122 2.585 -6.155 428 1HD1 LEU 58 1HD1 LEU 58 7.208 1.150 -7.908 429 2HD1 LEU 58 2HD1 LEU 58 5.927 1.910 -6.965 430 3HD1 LEU 58 3HD1 LEU 58 6.332 0.214 -6.696 431 1HD2 LEU 58 1HD2 LEU 58 6.271 2.407 -4.560 432 2HD2 LEU 58 2HD2 LEU 58 7.824 2.081 -3.793 433 3HD2 LEU 58 3HD2 LEU 58 6.743 0.747 -4.194 434 H ASN 59 H ASN 59 6.993 -2.748 -5.762 435 HA ASN 59 HA ASN 59 7.107 -2.966 -8.650 436 1HB ASN 59 1HB ASN 59 9.107 -4.246 -7.802 437 2HB ASN 59 2HB ASN 59 8.013 -5.286 -6.904 438 1HD2 ASN 59 1HD2 ASN 59 9.934 -5.879 -9.047 439 2HD2 ASN 59 2HD2 ASN 59 9.031 -6.666 -10.290 440 H ARG 60 H ARG 60 5.438 -4.316 -9.474 441 HA ARG 60 HA ARG 60 2.967 -4.133 -8.303 442 1HB ARG 60 1HB ARG 60 3.891 -6.335 -10.169 443 2HB ARG 60 2HB ARG 60 2.221 -5.889 -9.866 444 1HG ARG 60 1HG ARG 60 4.309 -4.166 -11.195 445 2HG ARG 60 2HG ARG 60 2.991 -5.019 -11.996 446 1HD ARG 60 1HD ARG 60 1.444 -3.657 -10.446 447 2HD ARG 60 2HD ARG 60 2.858 -2.637 -10.169 448 HE ARG 60 HE ARG 60 1.775 -3.144 -12.869 449 1HH1 ARG 60 1HH1 ARG 60 3.055 -0.932 -10.473 450 2HH1 ARG 60 2HH1 ARG 60 2.838 0.471 -11.473 451 1HH2 ARG 60 1HH2 ARG 60 1.512 -1.310 -14.187 452 2HH2 ARG 60 2HH2 ARG 60 1.990 0.249 -13.595 453 H LYS 61 H LYS 61 5.300 -6.756 -8.028 454 HA LYS 61 HA LYS 61 3.755 -8.754 -6.903 455 1HB LYS 61 1HB LYS 61 6.049 -9.089 -7.673 456 2HB LYS 61 2HB LYS 61 6.657 -8.084 -6.365 457 1HG LYS 61 1HG LYS 61 5.766 -9.745 -4.740 458 2HG LYS 61 2HG LYS 61 5.299 -10.765 -6.102 459 1HD LYS 61 1HD LYS 61 7.429 -11.504 -5.183 460 2HD LYS 61 2HD LYS 61 7.654 -10.873 -6.815 461 1HE LYS 61 1HE LYS 61 8.447 -8.747 -5.888 462 2HE LYS 61 2HE LYS 61 8.202 -9.361 -4.253 463 1HZ LYS 61 1HZ LYS 61 10.516 -9.502 -4.966 464 2HZ LYS 61 2HZ LYS 61 10.075 -10.517 -6.244 465 3HZ LYS 61 3HZ LYS 61 9.876 -11.033 -4.650 466 H SER 62 H SER 62 5.575 -6.210 -5.220 467 HA SER 62 HA SER 62 5.082 -7.131 -2.613 468 1HB SER 62 1HB SER 62 5.652 -4.293 -3.515 469 2HB SER 62 2HB SER 62 5.915 -4.955 -1.900 470 HG SER 62 HG SER 62 7.734 -4.855 -3.583 471 H PHE 63 H PHE 63 3.427 -4.654 -4.559 472 HA PHE 63 HA PHE 63 1.499 -4.061 -2.522 473 1HB PHE 63 1HB PHE 63 1.537 -3.377 -5.475 474 2HB PHE 63 2HB PHE 63 0.381 -2.733 -4.313 475 HD1 PHE 63 HD2 PHE 63 1.119 -1.170 -2.557 476 HD2 PHE 63 HD1 PHE 63 3.786 -2.547 -5.584 477 HE1 PHE 63 HE2 PHE 63 2.678 0.651 -2.011 478 HE2 PHE 63 HE1 PHE 63 5.347 -0.727 -5.036 479 HZ PHE 63 HZ PHE 63 4.794 0.875 -3.250 480 H ALA 64 H ALA 64 1.794 -6.510 -4.874 481 HA ALA 64 HA ALA 64 -1.010 -7.043 -5.224 482 1HB ALA 64 1HB ALA 64 1.381 -8.771 -5.865 483 2HB ALA 64 2HB ALA 64 0.626 -7.610 -6.957 484 3HB ALA 64 3HB ALA 64 -0.271 -9.032 -6.426 485 H SER 65 H SER 65 1.211 -7.645 -2.767 486 HA SER 65 HA SER 65 -0.682 -9.400 -1.411 487 1HB SER 65 1HB SER 65 2.258 -10.110 -1.705 488 2HB SER 65 2HB SER 65 1.068 -10.998 -0.750 489 HG SER 65 HG SER 65 1.316 -10.779 -3.547 490 H ILE 66 H ILE 66 -1.133 -7.750 0.020 491 HA ILE 66 HA ILE 66 0.723 -5.952 1.078 492 HB ILE 66 HB ILE 66 -1.916 -6.825 2.269 493 1HG1 ILE 66 1HG1 ILE 66 -2.143 -5.889 0.010 494 2HG1 ILE 66 2HG1 ILE 66 -2.808 -4.785 1.208 495 1HG2 ILE 66 1HG2 ILE 66 -0.233 -4.395 2.896 496 2HG2 ILE 66 2HG2 ILE 66 -0.532 -5.765 3.965 497 3HG2 ILE 66 3HG2 ILE 66 -1.859 -4.701 3.507 498 1HD1 ILE 66 1HD1 ILE 66 -0.772 -3.429 1.077 499 2HD1 ILE 66 2HD1 ILE 66 -1.570 -3.582 -0.487 500 3HD1 ILE 66 3HD1 ILE 66 -0.126 -4.532 -0.139 501 H LYS 67 H LYS 67 -0.481 -9.017 2.412 502 HA LYS 67 HA LYS 67 0.760 -8.931 4.885 503 1HB LYS 67 1HB LYS 67 0.629 -11.375 4.939 504 2HB LYS 67 2HB LYS 67 -0.856 -10.668 4.331 505 1HG LYS 67 1HG LYS 67 1.226 -11.641 2.407 506 2HG LYS 67 2HG LYS 67 0.147 -12.788 3.200 507 1HD LYS 67 1HD LYS 67 -1.788 -11.475 2.337 508 2HD LYS 67 2HD LYS 67 -0.659 -10.460 1.445 509 1HE LYS 67 1HE LYS 67 -1.617 -12.192 0.007 510 2HE LYS 67 2HE LYS 67 0.122 -12.406 0.190 511 1HZ LYS 67 1HZ LYS 67 -1.986 -13.936 1.625 512 2HZ LYS 67 2HZ LYS 67 -0.320 -14.118 1.856 513 3HZ LYS 67 3HZ LYS 67 -1.013 -14.514 0.366 514 H ALA 68 H ALA 68 2.193 -9.503 1.762 515 HA ALA 68 HA ALA 68 4.665 -10.557 2.836 516 1HB ALA 68 1HB ALA 68 3.868 -11.285 0.640 517 2HB ALA 68 2HB ALA 68 5.451 -10.517 0.520 518 3HB ALA 68 3HB ALA 68 4.001 -9.632 0.036 519 H ILE 69 H ILE 69 3.520 -7.493 1.455 520 HA ILE 69 HA ILE 69 6.096 -6.258 1.500 521 HB ILE 69 HB ILE 69 4.230 -5.606 -0.060 522 1HG1 ILE 69 1HG1 ILE 69 5.408 -3.349 1.590 523 2HG1 ILE 69 2HG1 ILE 69 6.235 -4.189 0.282 524 1HG2 ILE 69 1HG2 ILE 69 2.530 -4.044 0.704 525 2HG2 ILE 69 2HG2 ILE 69 3.141 -4.156 2.353 526 3HG2 ILE 69 3HG2 ILE 69 2.412 -5.566 1.586 527 1HD1 ILE 69 1HD1 ILE 69 5.385 -2.068 -0.483 528 2HD1 ILE 69 2HD1 ILE 69 3.755 -2.498 0.033 529 3HD1 ILE 69 3HD1 ILE 69 4.525 -3.381 -1.287 530 H GLU 70 H GLU 70 3.410 -6.424 3.761 531 HA GLU 70 HA GLU 70 4.129 -4.231 5.379 532 1HB GLU 70 1HB GLU 70 2.639 -5.153 7.060 533 2HB GLU 70 2HB GLU 70 1.905 -5.269 5.472 534 1HG GLU 70 1HG GLU 70 1.362 -7.312 6.328 535 2HG GLU 70 2HG GLU 70 2.879 -7.703 5.522 536 H ASP 71 H ASP 71 5.239 -7.532 5.269 537 HA ASP 71 HA ASP 71 6.785 -7.378 7.678 538 1HB ASP 71 1HB ASP 71 6.070 -9.550 6.811 539 2HB ASP 71 2HB ASP 71 6.967 -9.277 5.319 540 H THR 72 H THR 72 7.410 -6.979 4.242 541 HA THR 72 HA THR 72 10.211 -6.809 4.411 542 HB THR 72 HB THR 72 8.412 -5.649 2.269 543 HG1 THR 72 HG1 THR 72 7.922 -7.757 2.187 544 1HG2 THR 72 1HG2 THR 72 10.740 -4.864 2.114 545 2HG2 THR 72 2HG2 THR 72 10.364 -5.979 0.799 546 3HG2 THR 72 3HG2 THR 72 11.312 -6.532 2.180 547 H VAL 73 H VAL 73 7.682 -4.371 4.779 548 HA VAL 73 HA VAL 73 9.477 -2.144 4.636 549 HB VAL 73 HB VAL 73 7.054 -1.872 4.222 550 1HG1 VAL 73 1HG1 VAL 73 6.167 -3.403 5.889 551 2HG1 VAL 73 2HG1 VAL 73 5.471 -1.797 6.100 552 3HG1 VAL 73 3HG1 VAL 73 6.743 -2.356 7.188 553 1HG2 VAL 73 1HG2 VAL 73 8.388 0.080 4.823 554 2HG2 VAL 73 2HG2 VAL 73 8.094 -0.224 6.535 555 3HG2 VAL 73 3HG2 VAL 73 6.756 0.222 5.477 556 H LYS 74 H LYS 74 8.405 -4.315 7.153 557 HA LYS 74 HA LYS 74 9.327 -2.837 9.389 558 1HB LYS 74 1HB LYS 74 8.992 -5.828 9.032 559 2HB LYS 74 2HB LYS 74 9.252 -5.019 10.576 560 1HG LYS 74 1HG LYS 74 7.152 -3.904 10.438 561 2HG LYS 74 2HG LYS 74 6.919 -4.422 8.769 562 1HD LYS 74 1HD LYS 74 6.851 -6.779 9.565 563 2HD LYS 74 2HD LYS 74 6.947 -6.183 11.225 564 1HE LYS 74 1HE LYS 74 4.857 -4.982 10.945 565 2HE LYS 74 2HE LYS 74 4.781 -5.460 9.249 566 1HZ LYS 74 1HZ LYS 74 3.353 -6.852 10.537 567 2HZ LYS 74 2HZ LYS 74 4.604 -7.257 11.601 568 3HZ LYS 74 3HZ LYS 74 4.656 -7.782 9.993 569 H LEU 75 H LEU 75 10.872 -4.917 7.064 570 HA LEU 75 HA LEU 75 13.328 -5.352 8.359 571 1HB LEU 75 1HB LEU 75 12.795 -5.023 5.398 572 2HB LEU 75 2HB LEU 75 14.256 -5.700 6.096 573 HG LEU 75 HG LEU 75 11.482 -6.896 6.255 574 1HD1 LEU 75 1HD1 LEU 75 13.954 -7.805 4.777 575 2HD1 LEU 75 2HD1 LEU 75 12.494 -7.128 4.054 576 3HD1 LEU 75 3HD1 LEU 75 12.427 -8.684 4.880 577 1HD2 LEU 75 1HD2 LEU 75 12.718 -7.334 8.305 578 2HD2 LEU 75 2HD2 LEU 75 14.094 -7.921 7.371 579 3HD2 LEU 75 3HD2 LEU 75 12.568 -8.805 7.346 580 H ILE 76 H ILE 76 12.044 -2.591 6.631 581 HA ILE 76 HA ILE 76 14.451 -1.107 6.420 582 HB ILE 76 HB ILE 76 11.641 -0.011 6.719 583 1HG1 ILE 76 1HG1 ILE 76 13.137 -0.709 4.173 584 2HG1 ILE 76 2HG1 ILE 76 11.833 -1.668 4.866 585 1HG2 ILE 76 1HG2 ILE 76 13.360 1.677 7.039 586 2HG2 ILE 76 2HG2 ILE 76 12.532 1.935 5.504 587 3HG2 ILE 76 3HG2 ILE 76 14.137 1.205 5.527 588 1HD1 ILE 76 1HD1 ILE 76 11.621 1.144 3.821 589 2HD1 ILE 76 2HD1 ILE 76 10.311 0.237 4.582 590 3HD1 ILE 76 3HD1 ILE 76 11.003 -0.321 3.058 591 H LEU 77 H LEU 77 11.853 -1.179 8.843 592 HA LEU 77 HA LEU 77 12.984 0.692 10.620 593 1HB LEU 77 1HB LEU 77 11.029 -1.565 11.052 594 2HB LEU 77 2HB LEU 77 11.544 -0.519 12.360 595 HG LEU 77 HG LEU 77 9.401 0.235 11.540 596 1HD1 LEU 77 1HD1 LEU 77 11.592 2.108 10.643 597 2HD1 LEU 77 2HD1 LEU 77 10.952 1.961 12.281 598 3HD1 LEU 77 3HD1 LEU 77 9.919 2.556 10.981 599 1HD2 LEU 77 1HD2 LEU 77 10.697 0.512 8.824 600 2HD2 LEU 77 2HD2 LEU 77 9.055 0.999 9.250 601 3HD2 LEU 77 3HD2 LEU 77 9.506 -0.705 9.282 602 H ASP 78 H ASP 78 13.488 -2.716 10.130 603 HA ASP 78 HA ASP 78 15.078 -3.211 12.434 604 1HB ASP 78 1HB ASP 78 14.071 -5.078 11.285 605 2HB ASP 78 2HB ASP 78 14.850 -4.640 9.770 606 H GLY 79 H GLY 79 15.704 -1.893 9.263 607 1HA GLY 79 1HA GLY 79 18.612 -1.919 9.777 608 2HA GLY 79 2HA GLY 79 17.864 -1.789 8.196 609 H LYS 80 H LYS 80 16.656 0.083 10.888 610 HA LYS 80 HA LYS 80 17.227 2.567 9.567 611 1HB LYS 80 1HB LYS 80 16.200 1.973 12.356 612 2HB LYS 80 2HB LYS 80 16.340 3.592 11.687 613 1HG LYS 80 1HG LYS 80 14.673 1.425 10.431 614 2HG LYS 80 2HG LYS 80 14.047 2.560 11.627 615 1HD LYS 80 1HD LYS 80 15.263 3.311 8.960 616 2HD LYS 80 2HD LYS 80 13.537 3.254 9.320 617 1HE LYS 80 1HE LYS 80 14.002 4.935 11.162 618 2HE LYS 80 2HE LYS 80 15.610 5.121 10.464 619 1HZ LYS 80 1HZ LYS 80 14.151 6.818 9.628 620 2HZ LYS 80 2HZ LYS 80 13.023 5.666 9.111 621 3HZ LYS 80 3HZ LYS 80 14.535 5.762 8.364 622 H GLU 81 H GLU 81 18.116 1.455 12.816 623 HA GLU 81 HA GLU 81 19.935 1.762 14.124 624 1HB GLU 81 1HB GLU 81 20.919 0.345 12.324 625 2HB GLU 81 2HB GLU 81 21.443 1.808 11.501 626 1HG GLU 81 1HG GLU 81 22.843 2.380 13.440 627 2HG GLU 81 2HG GLU 81 22.333 0.890 14.232 628 H ALA 82 H ALA 82 19.164 3.838 14.768 629 HA ALA 82 HA ALA 82 21.046 5.976 14.067 630 1HB ALA 82 1HB ALA 82 18.045 6.354 14.176 631 2HB ALA 82 2HB ALA 82 19.045 6.409 12.724 632 3HB ALA 82 3HB ALA 82 19.240 7.637 13.974 633 H ALA 83 H ALA 83 22.086 5.909 15.997 634 HA ALA 83 HA ALA 83 20.516 6.586 18.390 635 1HB ALA 83 1HB ALA 83 22.651 4.444 18.297 636 2HB ALA 83 2HB ALA 83 20.918 4.174 18.479 637 3HB ALA 83 3HB ALA 83 21.816 5.010 19.744
Contact the webmaster for help, if required. Friday, May 17, 2024 4:43:16 AM GMT (wattos1)