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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8418 |
1m8m ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 7 H GLU 7 -3.256 8.335 -7.748 2 HA GLU 7 HA GLU 7 -0.538 9.318 -7.542 3 1HB GLU 7 1HB GLU 7 -1.475 10.805 -9.238 4 1HG GLU 7 1HG GLU 7 -1.337 12.240 -6.596 5 H LEU 8 H LEU 8 -0.414 8.603 -5.460 6 HA LEU 8 HA LEU 8 -1.374 10.234 -3.403 7 1HB LEU 8 1HB LEU 8 -3.346 8.499 -4.300 8 HG LEU 8 HG LEU 8 -3.136 9.758 -1.564 9 1HD1 LEU 8 1HD1 LEU 8 -4.488 10.708 -4.085 10 2HD1 LEU 8 2HD1 LEU 8 -3.009 11.372 -3.391 11 3HD1 LEU 8 3HD1 LEU 8 -4.533 11.512 -2.515 12 1HD2 LEU 8 1HD2 LEU 8 -5.236 8.154 -2.889 13 2HD2 LEU 8 2HD2 LEU 8 -5.762 9.599 -2.026 14 3HD2 LEU 8 3HD2 LEU 8 -4.861 8.345 -1.176 15 H VAL 9 H VAL 9 -1.134 6.683 -3.558 16 HA VAL 9 HA VAL 9 1.510 6.637 -2.469 17 HB VAL 9 HB VAL 9 0.712 5.268 -0.415 18 1HG1 VAL 9 1HG1 VAL 9 0.176 8.202 -0.176 19 2HG1 VAL 9 2HG1 VAL 9 1.793 7.615 -0.564 20 3HG1 VAL 9 3HG1 VAL 9 1.014 7.123 0.940 21 1HG2 VAL 9 1HG2 VAL 9 -1.698 7.046 -0.667 22 2HG2 VAL 9 2HG2 VAL 9 -1.416 5.729 0.471 23 3HG2 VAL 9 3HG2 VAL 9 -1.701 5.375 -1.232 24 H LEU 10 H LEU 10 1.166 5.475 -4.655 25 HA LEU 10 HA LEU 10 -0.095 2.974 -4.786 26 1HB LEU 10 1HB LEU 10 1.511 2.562 -6.697 27 HG LEU 10 HG LEU 10 2.794 4.938 -5.601 28 1HD1 LEU 10 1HD1 LEU 10 3.435 2.765 -7.552 29 2HD1 LEU 10 2HD1 LEU 10 4.181 3.129 -5.996 30 3HD1 LEU 10 3HD1 LEU 10 4.493 4.167 -7.386 31 1HD2 LEU 10 1HD2 LEU 10 3.199 5.991 -7.815 32 2HD2 LEU 10 2HD2 LEU 10 1.537 6.150 -7.248 33 3HD2 LEU 10 3HD2 LEU 10 1.934 4.964 -8.490 34 H ALA 11 H ALA 11 0.922 0.850 -4.945 35 HA ALA 11 HA ALA 11 2.581 0.317 -2.687 36 1HB ALA 11 1HB ALA 11 1.172 -1.272 -4.730 37 2HB ALA 11 2HB ALA 11 1.255 -1.483 -2.981 38 3HB ALA 11 3HB ALA 11 2.586 -2.031 -3.999 39 H LEU 12 H LEU 12 3.211 0.999 -5.999 40 HA LEU 12 HA LEU 12 5.178 1.350 -7.103 41 1HB LEU 12 1HB LEU 12 6.720 0.325 -4.742 42 HG LEU 12 HG LEU 12 4.935 2.331 -4.325 43 1HD1 LEU 12 1HD1 LEU 12 5.880 2.342 -2.304 44 2HD1 LEU 12 2HD1 LEU 12 7.458 2.802 -2.941 45 3HD1 LEU 12 3HD1 LEU 12 6.963 1.110 -2.948 46 1HD2 LEU 12 1HD2 LEU 12 7.488 3.810 -4.830 47 2HD2 LEU 12 2HD2 LEU 12 5.854 4.439 -4.625 48 3HD2 LEU 12 3HD2 LEU 12 6.297 3.609 -6.115 49 H TYR 13 H TYR 13 3.774 -1.371 -6.615 50 HA TYR 13 HA TYR 13 5.186 -2.859 -8.480 51 1HB TYR 13 1HB TYR 13 6.486 -2.929 -5.987 52 HD1 TYR 13 HD1 TYR 13 7.451 -5.957 -6.515 53 HD2 TYR 13 HD2 TYR 13 7.145 -2.417 -8.855 54 HE1 TYR 13 HE1 TYR 13 9.259 -6.769 -7.970 55 HE2 TYR 13 HE2 TYR 13 8.952 -3.220 -10.316 56 HH TYR 13 HH TYR 13 11.066 -5.426 -9.586 57 H ASP 14 H ASP 14 3.935 -4.104 -5.394 58 HA ASP 14 HA ASP 14 1.295 -4.500 -5.999 59 1HB ASP 14 1HB ASP 14 1.373 -6.986 -6.673 60 H TYR 15 H TYR 15 4.193 -5.929 -4.645 61 HA TYR 15 HA TYR 15 4.659 -6.787 -2.593 62 1HB TYR 15 1HB TYR 15 3.387 -4.916 -1.665 63 HD1 TYR 15 HD1 TYR 15 1.074 -6.236 0.266 64 HD2 TYR 15 HD2 TYR 15 5.198 -6.896 -0.538 65 HE1 TYR 15 HE1 TYR 15 1.349 -7.215 2.505 66 HE2 TYR 15 HE2 TYR 15 5.484 -7.877 1.698 67 HH TYR 15 HH TYR 15 2.923 -8.829 3.629 68 H GLN 16 H GLN 16 1.188 -7.463 -3.101 69 HA GLN 16 HA GLN 16 -0.012 -9.385 -2.839 70 1HB GLN 16 1HB GLN 16 0.899 -11.311 -4.190 71 1HG GLN 16 1HG GLN 16 3.082 -9.371 -4.907 72 1HE2 GLN 16 1HE2 GLN 16 3.990 -12.537 -4.938 73 2HE2 GLN 16 2HE2 GLN 16 3.781 -12.876 -6.619 74 H GLU 17 H GLU 17 0.092 -9.666 -0.611 75 HA GLU 17 HA GLU 17 2.192 -10.826 0.815 76 1HB GLU 17 1HB GLU 17 0.347 -9.649 1.902 77 1HG GLU 17 1HG GLU 17 -0.200 -11.194 3.720 78 H LYS 18 H LYS 18 -0.869 -12.429 -0.085 79 HA LYS 18 HA LYS 18 0.324 -14.728 -1.161 80 1HB LYS 18 1HB LYS 18 0.657 -14.721 1.545 81 1HG LYS 18 1HG LYS 18 1.674 -16.316 -0.051 82 1HD LYS 18 1HD LYS 18 -0.694 -16.966 -0.937 83 1HE LYS 18 1HE LYS 18 -1.236 -19.274 0.072 84 1HZ LYS 18 1HZ LYS 18 -2.942 -18.323 1.166 85 2HZ LYS 18 2HZ LYS 18 -2.382 -16.913 0.418 86 3HZ LYS 18 3HZ LYS 18 -1.961 -17.242 2.022 87 H SER 19 H SER 19 -1.219 -14.983 -2.649 88 HA SER 19 HA SER 19 -3.237 -15.392 -3.613 89 1HB SER 19 1HB SER 19 -4.560 -16.225 -1.102 90 HG SER 19 HG SER 19 -2.401 -17.757 -2.099 91 HA PRO 20 HA PRO 20 -5.875 -11.925 -2.961 92 1HB PRO 20 1HB PRO 20 -8.313 -12.838 -3.731 93 1HG PRO 20 1HG PRO 20 -7.889 -15.120 -3.714 94 1HD PRO 20 1HD PRO 20 -5.743 -15.960 -3.672 95 H ARG 21 H ARG 21 -5.381 -12.691 -0.534 96 HA ARG 21 HA ARG 21 -8.002 -12.754 0.788 97 1HB ARG 21 1HB ARG 21 -6.628 -14.991 0.779 98 1HG ARG 21 1HG ARG 21 -8.609 -14.111 2.381 99 1HD ARG 21 1HD ARG 21 -6.150 -14.187 3.992 100 HE ARG 21 HE ARG 21 -6.889 -15.820 5.386 101 1HH1 ARG 21 1HH1 ARG 21 -9.679 -14.191 4.068 102 2HH1 ARG 21 2HH1 ARG 21 -10.813 -15.116 4.995 103 1HH2 ARG 21 1HH2 ARG 21 -8.376 -17.038 6.607 104 2HH2 ARG 21 2HH2 ARG 21 -10.074 -16.732 6.436 105 H GLU 22 H GLU 22 -4.535 -12.475 1.595 106 HA GLU 22 HA GLU 22 -5.147 -10.419 3.554 107 1HB GLU 22 1HB GLU 22 -3.302 -12.402 3.543 108 1HG GLU 22 1HG GLU 22 -1.982 -10.629 5.106 109 H VAL 23 H VAL 23 -2.970 -8.790 3.479 110 HA VAL 23 HA VAL 23 -3.658 -6.888 1.550 111 HB VAL 23 HB VAL 23 -1.373 -5.870 2.130 112 1HG1 VAL 23 1HG1 VAL 23 -3.000 -6.332 4.587 113 2HG1 VAL 23 2HG1 VAL 23 -3.724 -5.503 3.209 114 3HG1 VAL 23 3HG1 VAL 23 -2.281 -4.841 3.977 115 1HG2 VAL 23 1HG2 VAL 23 -1.390 -7.802 4.414 116 2HG2 VAL 23 2HG2 VAL 23 -0.082 -6.776 3.828 117 3HG2 VAL 23 3HG2 VAL 23 -0.562 -8.205 2.912 118 H THR 24 H THR 24 -3.572 -7.432 -0.561 119 HA THR 24 HA THR 24 -0.924 -8.070 -1.661 120 HB THR 24 HB THR 24 -1.943 -9.650 -3.246 121 HG1 THR 24 HG1 THR 24 -4.010 -9.649 -3.468 122 1HG2 THR 24 1HG2 THR 24 -2.996 -11.173 -1.222 123 2HG2 THR 24 2HG2 THR 24 -1.857 -10.117 -0.385 124 3HG2 THR 24 3HG2 THR 24 -1.304 -11.128 -1.720 125 H MET 25 H MET 25 -0.456 -6.245 -2.732 126 HA MET 25 HA MET 25 -2.526 -4.799 -4.166 127 1HB MET 25 1HB MET 25 0.093 -4.188 -3.080 128 1HG MET 25 1HG MET 25 -0.692 -1.900 -3.139 129 1HE MET 25 1HE MET 25 -1.020 -2.198 -0.119 130 2HE MET 25 2HE MET 25 -0.130 -3.338 -1.126 131 3HE MET 25 3HE MET 25 -1.306 -3.929 0.048 132 H LYS 26 H LYS 26 -1.894 -3.968 -6.418 133 HA LYS 26 HA LYS 26 -0.280 -5.764 -8.000 134 1HB LYS 26 1HB LYS 26 -2.696 -6.736 -7.665 135 1HG LYS 26 1HG LYS 26 -2.749 -7.476 -10.099 136 1HD LYS 26 1HD LYS 26 -0.290 -7.869 -8.402 137 1HE LYS 26 1HE LYS 26 -0.234 -8.439 -10.980 138 1HZ LYS 26 1HZ LYS 26 -1.950 -9.842 -11.387 139 2HZ LYS 26 2HZ LYS 26 -1.980 -10.473 -9.819 140 3HZ LYS 26 3HZ LYS 26 -0.804 -10.994 -10.916 141 H LYS 27 H LYS 27 0.662 -4.653 -9.577 142 HA LYS 27 HA LYS 27 1.168 -3.010 -11.059 143 1HB LYS 27 1HB LYS 27 -0.904 -3.648 -12.158 144 1HG LYS 27 1HG LYS 27 0.018 -0.895 -12.177 145 1HD LYS 27 1HD LYS 27 -2.348 -0.424 -11.759 146 1HE LYS 27 1HE LYS 27 -2.833 -2.073 -14.237 147 1HZ LYS 27 1HZ LYS 27 -5.228 -1.615 -13.316 148 2HZ LYS 27 2HZ LYS 27 -4.478 -0.526 -14.371 149 3HZ LYS 27 3HZ LYS 27 -4.499 -0.214 -12.709 150 H GLY 28 H GLY 28 -1.633 -1.358 -9.631 151 1HA GLY 28 1HA GLY 28 -0.236 0.191 -7.758 152 2HA GLY 28 2HA GLY 28 -0.265 1.072 -9.277 153 H ASP 29 H ASP 29 -2.549 -0.819 -7.291 154 HA ASP 29 HA ASP 29 -4.725 0.925 -8.063 155 1HB ASP 29 1HB ASP 29 -4.745 -1.334 -6.052 156 H ILE 30 H ILE 30 -2.296 1.381 -5.987 157 HA ILE 30 HA ILE 30 -1.932 2.675 -4.163 158 HB ILE 30 HB ILE 30 -4.627 3.937 -4.408 159 1HG1 ILE 30 1HG1 ILE 30 -3.857 3.632 -6.736 160 1HG2 ILE 30 1HG2 ILE 30 -3.512 5.102 -2.829 161 2HG2 ILE 30 2HG2 ILE 30 -2.836 5.929 -4.232 162 3HG2 ILE 30 3HG2 ILE 30 -1.928 4.638 -3.448 163 1HD1 ILE 30 1HD1 ILE 30 -1.626 3.559 -6.994 164 2HD1 ILE 30 2HD1 ILE 30 -1.324 4.658 -5.648 165 3HD1 ILE 30 3HD1 ILE 30 -1.821 5.298 -7.214 166 H LEU 31 H LEU 31 -2.919 3.396 -1.990 167 HA LEU 31 HA LEU 31 -5.117 2.005 -0.902 168 1HB LEU 31 1HB LEU 31 -3.961 0.387 0.492 169 HG LEU 31 HG LEU 31 -1.579 -0.277 -0.241 170 1HD1 LEU 31 1HD1 LEU 31 -1.485 1.372 -2.113 171 2HD1 LEU 31 2HD1 LEU 31 -0.129 1.461 -0.992 172 3HD1 LEU 31 3HD1 LEU 31 -1.420 2.656 -0.905 173 1HD2 LEU 31 1HD2 LEU 31 -1.646 2.237 1.370 174 2HD2 LEU 31 2HD2 LEU 31 -0.703 0.769 1.620 175 3HD2 LEU 31 3HD2 LEU 31 -2.433 0.772 1.958 176 H THR 32 H THR 32 -5.482 2.531 1.299 177 HA THR 32 HA THR 32 -4.208 4.983 2.124 178 HB THR 32 HB THR 32 -6.108 3.481 3.881 179 HG1 THR 32 HG1 THR 32 -6.865 4.901 1.546 180 1HG2 THR 32 1HG2 THR 32 -5.158 6.172 3.675 181 2HG2 THR 32 2HG2 THR 32 -6.156 5.425 4.923 182 3HG2 THR 32 3HG2 THR 32 -6.911 6.128 3.492 183 H LEU 33 H LEU 33 -3.736 5.112 4.637 184 HA LEU 33 HA LEU 33 -2.710 2.819 5.923 185 1HB LEU 33 1HB LEU 33 -0.255 3.734 5.781 186 HG LEU 33 HG LEU 33 -1.398 4.653 3.143 187 1HD1 LEU 33 1HD1 LEU 33 0.166 6.638 3.885 188 2HD1 LEU 33 2HD1 LEU 33 -0.165 5.991 5.492 189 3HD1 LEU 33 3HD1 LEU 33 -1.496 6.513 4.460 190 1HD2 LEU 33 1HD2 LEU 33 1.200 5.154 2.883 191 2HD2 LEU 33 2HD2 LEU 33 0.474 3.636 2.354 192 3HD2 LEU 33 3HD2 LEU 33 1.310 3.722 3.905 193 H LEU 34 H LEU 34 -1.166 3.485 7.768 194 HA LEU 34 HA LEU 34 -1.829 6.166 8.765 195 1HB LEU 34 1HB LEU 34 -3.277 4.175 9.657 196 HG LEU 34 HG LEU 34 -3.520 6.334 10.700 197 1HD1 LEU 34 1HD1 LEU 34 -4.301 5.625 12.739 198 2HD1 LEU 34 2HD1 LEU 34 -2.919 4.567 13.024 199 3HD1 LEU 34 3HD1 LEU 34 -4.170 4.092 11.875 200 1HD2 LEU 34 1HD2 LEU 34 -0.821 5.713 11.821 201 2HD2 LEU 34 2HD2 LEU 34 -1.916 6.786 12.694 202 3HD2 LEU 34 3HD2 LEU 34 -1.403 7.190 11.056 203 H ASN 35 H ASN 35 0.216 6.978 8.579 204 HA ASN 35 HA ASN 35 2.385 7.395 9.123 205 1HB ASN 35 1HB ASN 35 2.007 5.470 11.420 206 1HD2 ASN 35 1HD2 ASN 35 1.340 6.420 13.416 207 2HD2 ASN 35 2HD2 ASN 35 0.232 7.745 13.416 208 H SER 36 H SER 36 4.393 5.767 10.195 209 HA SER 36 HA SER 36 5.877 4.119 9.677 210 1HB SER 36 1HB SER 36 3.682 2.708 8.158 211 HG SER 36 HG SER 36 2.718 2.330 9.973 212 H THR 37 H THR 37 5.814 6.387 8.114 213 HA THR 37 HA THR 37 6.283 5.383 5.386 214 HB THR 37 HB THR 37 5.771 8.222 6.293 215 HG1 THR 37 HG1 THR 37 4.091 6.301 5.067 216 1HG2 THR 37 1HG2 THR 37 6.665 8.747 4.320 217 2HG2 THR 37 2HG2 THR 37 5.155 8.128 3.652 218 3HG2 THR 37 3HG2 THR 37 6.578 7.088 3.726 219 H ASN 38 H ASN 38 7.663 7.140 8.076 220 HA ASN 38 HA ASN 38 10.224 7.291 6.628 221 1HB ASN 38 1HB ASN 38 9.300 9.486 7.304 222 1HD2 ASN 38 1HD2 ASN 38 11.457 9.303 6.191 223 2HD2 ASN 38 2HD2 ASN 38 12.843 9.792 7.100 224 H LYS 39 H LYS 39 8.872 6.846 9.894 225 HA LYS 39 HA LYS 39 11.296 5.653 10.875 226 1HB LYS 39 1HB LYS 39 9.278 6.946 12.101 227 1HG LYS 39 1HG LYS 39 10.520 4.806 13.740 228 1HD LYS 39 1HD LYS 39 9.179 7.030 14.388 229 1HE LYS 39 1HE LYS 39 11.983 7.856 13.849 230 1HZ LYS 39 1HZ LYS 39 10.525 9.472 15.773 231 2HZ LYS 39 2HZ LYS 39 12.189 9.204 15.622 232 3HZ LYS 39 3HZ LYS 39 11.211 8.047 16.375 233 H ASP 40 H ASP 40 7.971 4.418 10.465 234 HA ASP 40 HA ASP 40 9.084 1.701 10.312 235 1HB ASP 40 1HB ASP 40 6.188 2.453 10.730 236 H TRP 41 H TRP 41 7.287 0.287 8.993 237 HA TRP 41 HA TRP 41 6.127 1.416 6.706 238 1HB TRP 41 1HB TRP 41 7.762 0.580 4.993 239 HD1 TRP 41 HD1 TRP 41 10.015 1.161 8.100 240 HE1 TRP 41 HE1 TRP 41 11.878 -0.613 8.063 241 HE3 TRP 41 HE3 TRP 41 8.532 -1.488 3.986 242 HZ2 TRP 41 HZ2 TRP 41 12.622 -2.842 6.499 243 HZ3 TRP 41 HZ3 TRP 41 9.876 -3.427 3.286 244 HH2 TRP 41 HH2 TRP 41 11.877 -4.088 4.516 245 H TRP 42 H TRP 42 4.993 -0.302 8.266 246 HA TRP 42 HA TRP 42 4.731 -2.688 6.642 247 1HB TRP 42 1HB TRP 42 5.141 -3.099 9.590 248 HD1 TRP 42 HD1 TRP 42 7.470 -4.176 6.711 249 HE1 TRP 42 HE1 TRP 42 9.870 -3.475 7.320 250 HE3 TRP 42 HE3 TRP 42 6.495 -1.587 11.011 251 HZ2 TRP 42 HZ2 TRP 42 11.178 -2.016 9.353 252 HZ3 TRP 42 HZ3 TRP 42 8.377 -0.571 12.227 253 HH2 TRP 42 HH2 TRP 42 10.669 -0.782 11.415 254 H LYS 43 H LYS 43 3.088 -0.361 7.364 255 HA LYS 43 HA LYS 43 0.730 -1.842 8.220 256 1HB LYS 43 1HB LYS 43 1.937 -0.619 10.195 257 1HG LYS 43 1HG LYS 43 -0.973 -0.642 9.585 258 1HD LYS 43 1HD LYS 43 -0.211 0.247 12.288 259 1HE LYS 43 1HE LYS 43 -2.244 1.582 12.045 260 1HZ LYS 43 1HZ LYS 43 -3.703 -0.469 11.242 261 2HZ LYS 43 2HZ LYS 43 -2.981 -0.407 12.770 262 3HZ LYS 43 3HZ LYS 43 -2.245 -1.281 11.522 263 H VAL 44 H VAL 44 -1.078 -1.226 7.188 264 HA VAL 44 HA VAL 44 -1.348 1.405 6.035 265 HB VAL 44 HB VAL 44 -1.667 0.675 3.740 266 1HG1 VAL 44 1HG1 VAL 44 0.983 -0.362 4.724 267 2HG1 VAL 44 2HG1 VAL 44 0.595 1.350 4.570 268 3HG1 VAL 44 3HG1 VAL 44 0.615 0.318 3.139 269 1HG2 VAL 44 1HG2 VAL 44 -1.202 -1.567 2.997 270 2HG2 VAL 44 2HG2 VAL 44 -2.418 -1.630 4.272 271 3HG2 VAL 44 3HG2 VAL 44 -0.743 -2.054 4.629 272 H GLU 45 H GLU 45 -3.449 1.162 4.423 273 HA GLU 45 HA GLU 45 -5.433 -0.565 5.681 274 1HB GLU 45 1HB GLU 45 -5.508 1.501 6.996 275 1HG GLU 45 1HG GLU 45 -7.852 1.149 5.149 276 H VAL 46 H VAL 46 -5.491 -1.636 3.679 277 HA VAL 46 HA VAL 46 -6.129 -0.199 1.265 278 HB VAL 46 HB VAL 46 -6.246 -3.183 1.697 279 1HG1 VAL 46 1HG1 VAL 46 -5.802 -3.255 -0.728 280 2HG1 VAL 46 2HG1 VAL 46 -5.897 -1.494 -0.778 281 3HG1 VAL 46 3HG1 VAL 46 -7.319 -2.442 -0.341 282 1HG2 VAL 46 1HG2 VAL 46 -4.056 -2.960 2.195 283 2HG2 VAL 46 2HG2 VAL 46 -3.946 -1.356 1.470 284 3HG2 VAL 46 3HG2 VAL 46 -3.888 -2.791 0.448 285 H ASN 47 H ASN 47 -7.861 -1.981 3.719 286 HA ASN 47 HA ASN 47 -10.371 -0.956 2.761 287 1HB ASN 47 1HB ASN 47 -11.457 -3.157 2.507 288 1HD2 ASN 47 1HD2 ASN 47 -8.161 -3.998 1.681 289 2HD2 ASN 47 2HD2 ASN 47 -8.099 -5.453 2.610 290 H ASP 48 H ASP 48 -9.165 -0.372 5.088 291 HA ASP 48 HA ASP 48 -9.506 -0.252 7.334 292 1HB ASP 48 1HB ASP 48 -12.069 -1.360 6.311 293 H ARG 49 H ARG 49 -7.670 -1.624 7.647 294 HA ARG 49 HA ARG 49 -8.142 -3.788 9.367 295 1HB ARG 49 1HB ARG 49 -8.607 -4.654 6.883 296 1HG ARG 49 1HG ARG 49 -7.692 -5.957 9.307 297 1HD ARG 49 1HD ARG 49 -6.250 -6.723 7.078 298 HE ARG 49 HE ARG 49 -7.934 -9.037 7.405 299 1HH1 ARG 49 1HH1 ARG 49 -7.300 -6.186 5.492 300 2HH1 ARG 49 2HH1 ARG 49 -8.070 -6.815 4.075 301 1HH2 ARG 49 1HH2 ARG 49 -8.946 -9.863 5.540 302 2HH2 ARG 49 2HH2 ARG 49 -9.004 -8.901 4.102 303 H GLN 50 H GLN 50 -6.112 -4.903 10.000 304 HA GLN 50 HA GLN 50 -4.007 -3.014 10.287 305 1HB GLN 50 1HB GLN 50 -2.801 -4.975 11.352 306 1HG GLN 50 1HG GLN 50 -5.314 -6.466 11.554 307 1HE2 GLN 50 1HE2 GLN 50 -4.084 -8.763 10.326 308 2HE2 GLN 50 2HE2 GLN 50 -2.830 -9.286 11.394 309 H GLY 51 H GLY 51 -3.363 -2.518 8.148 310 1HA GLY 51 1HA GLY 51 -2.575 -4.362 6.200 311 2HA GLY 51 2HA GLY 51 -2.010 -2.701 6.303 312 H PHE 52 H PHE 52 -0.527 -5.049 5.483 313 HA PHE 52 HA PHE 52 1.678 -4.815 7.396 314 1HB PHE 52 1HB PHE 52 0.296 -7.320 6.564 315 HD1 PHE 52 HD1 PHE 52 2.543 -5.660 9.025 316 HD2 PHE 52 HD2 PHE 52 -0.626 -8.422 8.360 317 HE1 PHE 52 HE1 PHE 52 2.274 -5.932 11.456 318 HE2 PHE 52 HE2 PHE 52 -0.902 -8.698 10.790 319 HZ PHE 52 HZ PHE 52 0.549 -7.452 12.342 320 H VAL 53 H VAL 53 1.119 -3.659 4.759 321 HA VAL 53 HA VAL 53 2.967 -5.018 2.971 322 HB VAL 53 HB VAL 53 2.355 -3.345 1.317 323 1HG1 VAL 53 1HG1 VAL 53 0.672 -5.258 2.378 324 2HG1 VAL 53 2HG1 VAL 53 0.466 -4.427 0.837 325 3HG1 VAL 53 3HG1 VAL 53 -0.345 -3.821 2.281 326 1HG2 VAL 53 1HG2 VAL 53 2.146 -1.335 2.499 327 2HG2 VAL 53 2HG2 VAL 53 0.991 -2.023 3.641 328 3HG2 VAL 53 3HG2 VAL 53 0.502 -1.702 1.978 329 HA PRO 54 HA PRO 54 6.645 -2.716 3.683 330 1HB PRO 54 1HB PRO 54 6.606 -1.856 0.836 331 1HG PRO 54 1HG PRO 54 6.384 -4.008 -0.022 332 1HD PRO 54 1HD PRO 54 4.229 -3.624 0.717 333 H ALA 55 H ALA 55 4.924 -0.862 1.165 334 HA ALA 55 HA ALA 55 4.226 1.301 1.070 335 1HB ALA 55 1HB ALA 55 4.477 1.558 4.040 336 2HB ALA 55 2HB ALA 55 3.209 0.559 3.330 337 3HB ALA 55 3HB ALA 55 3.292 2.279 2.951 338 H ALA 56 H ALA 56 7.130 0.513 1.212 339 HA ALA 56 HA ALA 56 8.369 2.903 2.331 340 1HB ALA 56 1HB ALA 56 9.463 0.360 1.164 341 2HB ALA 56 2HB ALA 56 9.595 0.961 2.817 342 3HB ALA 56 3HB ALA 56 10.492 1.747 1.518 343 H TYR 57 H TYR 57 9.498 4.424 1.125 344 HA TYR 57 HA TYR 57 9.644 5.906 -0.612 345 1HB TYR 57 1HB TYR 57 10.671 4.900 -2.675 346 HD1 TYR 57 HD1 TYR 57 9.497 3.182 -3.921 347 HD2 TYR 57 HD2 TYR 57 11.495 2.254 -0.281 348 HE1 TYR 57 HE1 TYR 57 9.341 0.785 -4.453 349 HE2 TYR 57 HE2 TYR 57 11.346 -0.144 -0.803 350 HH TYR 57 HH TYR 57 11.115 -1.495 -3.202 351 H VAL 58 H VAL 58 7.006 5.099 -0.196 352 HA VAL 58 HA VAL 58 5.754 4.360 -2.656 353 HB VAL 58 HB VAL 58 4.606 5.497 -0.104 354 1HG1 VAL 58 1HG1 VAL 58 3.388 5.248 -2.681 355 2HG1 VAL 58 2HG1 VAL 58 2.694 5.840 -1.172 356 3HG1 VAL 58 3HG1 VAL 58 2.625 4.122 -1.560 357 1HG2 VAL 58 1HG2 VAL 58 4.224 3.353 0.589 358 2HG2 VAL 58 2HG2 VAL 58 5.704 3.112 -0.339 359 3HG2 VAL 58 3HG2 VAL 58 4.141 2.718 -1.055 360 H LYS 59 H LYS 59 4.924 7.278 -0.820 361 HA LYS 59 HA LYS 59 5.545 8.957 -3.114 362 1HB LYS 59 1HB LYS 59 2.758 8.562 -2.034 363 1HG LYS 59 1HG LYS 59 3.616 7.201 -4.013 364 1HD LYS 59 1HD LYS 59 3.290 9.883 -5.357 365 1HE LYS 59 1HE LYS 59 4.173 7.311 -6.628 366 1HZ LYS 59 1HZ LYS 59 4.611 9.456 -7.747 367 2HZ LYS 59 2HZ LYS 59 2.945 9.745 -7.801 368 3HZ LYS 59 3HZ LYS 59 3.603 8.431 -8.639 369 H LYS 60 H LYS 60 6.385 8.618 -0.263 370 HA LYS 60 HA LYS 60 6.757 9.835 1.639 371 1HB LYS 60 1HB LYS 60 7.778 11.973 1.222 372 1HG LYS 60 1HG LYS 60 5.867 12.597 -0.511 373 1HD LYS 60 1HD LYS 60 7.281 10.848 -2.055 374 1HE LYS 60 1HE LYS 60 8.271 12.453 -3.802 375 1HZ LYS 60 1HZ LYS 60 10.317 11.938 -3.043 376 2HZ LYS 60 2HZ LYS 60 9.450 10.960 -1.971 377 3HZ LYS 60 3HZ LYS 60 10.010 12.473 -1.467 378 H LEU 61 H LEU 61 3.971 9.576 1.057 379 HA LEU 61 HA LEU 61 2.534 11.967 1.236 380 1HB LEU 61 1HB LEU 61 1.831 9.404 0.948 381 HG LEU 61 HG LEU 61 0.173 11.718 1.848 382 1HD1 LEU 61 1HD1 LEU 61 -0.467 11.817 -0.313 383 2HD1 LEU 61 2HD1 LEU 61 -0.488 10.064 -0.502 384 3HD1 LEU 61 3HD1 LEU 61 1.041 10.940 -0.571 385 1HD2 LEU 61 1HD2 LEU 61 -1.172 10.265 2.943 386 2HD2 LEU 61 2HD2 LEU 61 -0.570 8.865 2.055 387 3HD2 LEU 61 3HD2 LEU 61 -1.754 9.939 1.309 388 H ASP 62 H ASP 62 2.245 13.393 2.818 389 HA ASP 62 HA ASP 62 3.656 13.257 5.244 390 1HB ASP 62 1HB ASP 62 2.471 15.259 3.880 Start of MODEL 2 1 H GLU 7 H GLU 7 -1.499 11.757 -3.784 2 HA GLU 7 HA GLU 7 -1.491 12.355 -0.904 3 1HB GLU 7 1HB GLU 7 -2.643 14.036 -2.668 4 1HG GLU 7 1HG GLU 7 -4.471 14.268 -0.689 5 H LEU 8 H LEU 8 -1.311 9.834 -2.405 6 HA LEU 8 HA LEU 8 -3.063 8.275 -0.863 7 1HB LEU 8 1HB LEU 8 -4.284 7.342 -3.003 8 HG LEU 8 HG LEU 8 -3.964 10.253 -3.746 9 1HD1 LEU 8 1HD1 LEU 8 -2.127 9.452 -4.769 10 2HD1 LEU 8 2HD1 LEU 8 -3.295 8.861 -5.952 11 3HD1 LEU 8 3HD1 LEU 8 -2.685 7.779 -4.699 12 1HD2 LEU 8 1HD2 LEU 8 -5.284 9.058 -5.789 13 2HD2 LEU 8 2HD2 LEU 8 -6.064 9.948 -4.482 14 3HD2 LEU 8 3HD2 LEU 8 -5.947 8.191 -4.403 15 H VAL 9 H VAL 9 -3.030 5.932 -1.571 16 HA VAL 9 HA VAL 9 -0.479 5.347 -2.933 17 HB VAL 9 HB VAL 9 -1.755 3.653 -0.787 18 1HG1 VAL 9 1HG1 VAL 9 0.750 3.507 -2.389 19 2HG1 VAL 9 2HG1 VAL 9 -0.360 2.224 -1.910 20 3HG1 VAL 9 3HG1 VAL 9 0.763 2.903 -0.732 21 1HG2 VAL 9 1HG2 VAL 9 -0.134 4.541 0.765 22 2HG2 VAL 9 2HG2 VAL 9 -1.086 5.865 0.089 23 3HG2 VAL 9 3HG2 VAL 9 0.554 5.570 -0.492 24 H LEU 10 H LEU 10 -0.416 3.725 -4.431 25 HA LEU 10 HA LEU 10 -3.015 2.708 -5.321 26 1HB LEU 10 1HB LEU 10 -0.394 2.551 -6.795 27 HG LEU 10 HG LEU 10 -1.498 4.967 -6.245 28 1HD1 LEU 10 1HD1 LEU 10 -0.083 4.025 -8.727 29 2HD1 LEU 10 2HD1 LEU 10 0.624 4.746 -7.282 30 3HD1 LEU 10 3HD1 LEU 10 -0.374 5.725 -8.358 31 1HD2 LEU 10 1HD2 LEU 10 -2.859 5.712 -8.045 32 2HD2 LEU 10 2HD2 LEU 10 -3.590 4.232 -7.423 33 3HD2 LEU 10 3HD2 LEU 10 -2.652 4.192 -8.916 34 H ALA 11 H ALA 11 0.037 1.696 -4.013 35 HA ALA 11 HA ALA 11 0.784 -0.304 -3.228 36 1HB ALA 11 1HB ALA 11 -0.731 -1.640 -2.218 37 2HB ALA 11 2HB ALA 11 -1.759 -1.739 -3.647 38 3HB ALA 11 3HB ALA 11 -1.832 -0.318 -2.605 39 H LEU 12 H LEU 12 1.485 0.151 -5.749 40 HA LEU 12 HA LEU 12 0.675 -1.633 -7.733 41 1HB LEU 12 1HB LEU 12 3.095 0.002 -7.217 42 HG LEU 12 HG LEU 12 1.013 -0.163 -9.319 43 1HD1 LEU 12 1HD1 LEU 12 2.597 2.219 -8.425 44 2HD1 LEU 12 2HD1 LEU 12 1.271 1.578 -7.456 45 3HD1 LEU 12 3HD1 LEU 12 0.966 2.157 -9.095 46 1HD2 LEU 12 1HD2 LEU 12 3.125 -0.668 -10.527 47 2HD2 LEU 12 2HD2 LEU 12 3.779 0.860 -9.938 48 3HD2 LEU 12 3HD2 LEU 12 2.378 0.855 -11.009 49 H TYR 13 H TYR 13 0.876 -3.759 -7.958 50 HA TYR 13 HA TYR 13 1.538 -5.915 -7.664 51 1HB TYR 13 1HB TYR 13 4.061 -4.374 -7.366 52 HD1 TYR 13 HD1 TYR 13 5.255 -7.275 -8.393 53 HD2 TYR 13 HD2 TYR 13 2.382 -4.436 -9.727 54 HE1 TYR 13 HE1 TYR 13 5.593 -8.030 -10.708 55 HE2 TYR 13 HE2 TYR 13 2.711 -5.184 -12.046 56 HH TYR 13 HH TYR 13 5.211 -6.765 -13.133 57 H ASP 14 H ASP 14 -0.039 -5.439 -5.759 58 HA ASP 14 HA ASP 14 0.906 -5.242 -3.128 59 1HB ASP 14 1HB ASP 14 -1.631 -6.367 -4.302 60 H TYR 15 H TYR 15 -0.705 -8.195 -4.247 61 HA TYR 15 HA TYR 15 -0.266 -10.401 -3.909 62 1HB TYR 15 1HB TYR 15 2.103 -9.298 -4.851 63 HD1 TYR 15 HD1 TYR 15 0.340 -12.331 -3.760 64 HD2 TYR 15 HD2 TYR 15 3.292 -10.737 -6.378 65 HE1 TYR 15 HE1 TYR 15 0.308 -14.418 -5.059 66 HE2 TYR 15 HE2 TYR 15 3.266 -12.820 -7.684 67 HH TYR 15 HH TYR 15 2.303 -15.575 -6.734 68 H GLN 16 H GLN 16 1.577 -11.732 -2.313 69 HA GLN 16 HA GLN 16 0.419 -11.383 0.260 70 1HB GLN 16 1HB GLN 16 2.881 -12.998 -0.404 71 1HG GLN 16 1HG GLN 16 0.525 -13.370 -1.696 72 1HE2 GLN 16 1HE2 GLN 16 1.407 -15.179 1.226 73 2HE2 GLN 16 2HE2 GLN 16 -0.188 -15.750 1.562 74 H GLU 17 H GLU 17 2.392 -11.717 2.091 75 HA GLU 17 HA GLU 17 3.770 -9.127 1.980 76 1HB GLU 17 1HB GLU 17 2.218 -10.345 3.976 77 1HG GLU 17 1HG GLU 17 3.097 -7.831 3.439 78 H LYS 18 H LYS 18 5.796 -9.278 3.623 79 HA LYS 18 HA LYS 18 7.751 -10.760 2.233 80 1HB LYS 18 1HB LYS 18 9.222 -10.105 4.208 81 1HG LYS 18 1HG LYS 18 7.574 -8.000 5.150 82 1HD LYS 18 1HD LYS 18 7.941 -9.370 7.339 83 1HE LYS 18 1HE LYS 18 10.552 -8.699 6.132 84 1HZ LYS 18 1HZ LYS 18 10.745 -7.387 8.126 85 2HZ LYS 18 2HZ LYS 18 10.220 -8.943 8.532 86 3HZ LYS 18 3HZ LYS 18 9.121 -7.658 8.517 87 H SER 19 H SER 19 5.876 -11.418 5.110 88 HA SER 19 HA SER 19 6.244 -14.185 4.986 89 1HB SER 19 1HB SER 19 8.253 -12.706 6.593 90 HG SER 19 HG SER 19 9.456 -14.030 5.513 91 HA PRO 20 HA PRO 20 4.100 -13.165 9.169 92 1HB PRO 20 1HB PRO 20 4.146 -10.618 10.082 93 1HG PRO 20 1HG PRO 20 5.364 -9.616 8.378 94 1HD PRO 20 1HD PRO 20 6.589 -10.854 6.872 95 H ARG 21 H ARG 21 1.934 -12.976 9.174 96 HA ARG 21 HA ARG 21 -0.178 -12.380 8.582 97 1HB ARG 21 1HB ARG 21 1.078 -9.736 7.826 98 1HG ARG 21 1HG ARG 21 1.334 -10.572 10.261 99 1HD ARG 21 1HD ARG 21 -0.624 -9.942 11.652 100 HE ARG 21 HE ARG 21 -1.784 -12.056 10.140 101 1HH1 ARG 21 1HH1 ARG 21 0.955 -11.241 12.143 102 2HH1 ARG 21 2HH1 ARG 21 1.228 -12.874 12.651 103 1HH2 ARG 21 1HH2 ARG 21 -1.426 -14.204 10.805 104 2HH2 ARG 21 2HH2 ARG 21 -0.124 -14.557 11.891 105 H GLU 22 H GLU 22 -1.316 -12.984 6.857 106 HA GLU 22 HA GLU 22 0.001 -13.222 4.304 107 1HB GLU 22 1HB GLU 22 -2.199 -14.257 3.616 108 1HG GLU 22 1HG GLU 22 -3.258 -13.018 5.800 109 H VAL 23 H VAL 23 -0.648 -12.274 2.358 110 HA VAL 23 HA VAL 23 -2.603 -10.098 2.510 111 HB VAL 23 HB VAL 23 0.071 -9.681 1.184 112 1HG1 VAL 23 1HG1 VAL 23 -2.370 -8.069 1.642 113 2HG1 VAL 23 2HG1 VAL 23 -1.252 -8.074 0.279 114 3HG1 VAL 23 3HG1 VAL 23 -0.821 -7.237 1.769 115 1HG2 VAL 23 1HG2 VAL 23 0.267 -10.056 3.673 116 2HG2 VAL 23 2HG2 VAL 23 -0.705 -8.599 3.882 117 3HG2 VAL 23 3HG2 VAL 23 0.864 -8.505 3.082 118 H THR 24 H THR 24 -3.258 -9.305 0.362 119 HA THR 24 HA THR 24 -2.652 -11.031 -1.899 120 HB THR 24 HB THR 24 -4.516 -12.165 -0.740 121 HG1 THR 24 HG1 THR 24 -5.751 -12.411 -2.558 122 1HG2 THR 24 1HG2 THR 24 -5.607 -9.507 -0.593 123 2HG2 THR 24 2HG2 THR 24 -6.110 -10.984 0.231 124 3HG2 THR 24 3HG2 THR 24 -6.727 -10.619 -1.380 125 H MET 25 H MET 25 -4.796 -10.179 -3.529 126 HA MET 25 HA MET 25 -5.564 -8.447 -4.800 127 1HB MET 25 1HB MET 25 -4.291 -6.479 -2.912 128 1HG MET 25 1HG MET 25 -7.049 -6.799 -2.327 129 1HE MET 25 1HE MET 25 -4.789 -4.601 0.021 130 2HE MET 25 2HE MET 25 -5.672 -4.637 -1.506 131 3HE MET 25 3HE MET 25 -3.986 -5.156 -1.447 132 H LYS 26 H LYS 26 -4.652 -6.426 -6.001 133 HA LYS 26 HA LYS 26 -1.885 -6.036 -6.236 134 1HB LYS 26 1HB LYS 26 -2.507 -8.476 -7.239 135 1HG LYS 26 1HG LYS 26 -0.524 -7.847 -8.956 136 1HD LYS 26 1HD LYS 26 0.893 -8.085 -6.655 137 1HE LYS 26 1HE LYS 26 1.150 -9.705 -8.325 138 1HZ LYS 26 1HZ LYS 26 -1.746 -10.221 -8.004 139 2HZ LYS 26 2HZ LYS 26 -0.719 -11.320 -8.778 140 3HZ LYS 26 3HZ LYS 26 -0.912 -9.761 -9.402 141 H LYS 27 H LYS 27 -1.640 -5.469 -8.949 142 HA LYS 27 HA LYS 27 -2.079 -3.855 -10.489 143 1HB LYS 27 1HB LYS 27 -4.777 -4.709 -9.606 144 1HG LYS 27 1HG LYS 27 -4.113 -4.155 -12.432 145 1HD LYS 27 1HD LYS 27 -5.102 -6.610 -12.410 146 1HE LYS 27 1HE LYS 27 -6.116 -4.543 -13.393 147 1HZ LYS 27 1HZ LYS 27 -6.937 -4.198 -10.622 148 2HZ LYS 27 2HZ LYS 27 -8.109 -3.872 -11.798 149 3HZ LYS 27 3HZ LYS 27 -6.638 -3.037 -11.817 150 H GLY 28 H GLY 28 -2.843 -1.560 -10.740 151 1HA GLY 28 1HA GLY 28 -1.928 -0.009 -8.574 152 2HA GLY 28 2HA GLY 28 -2.756 0.610 -9.995 153 H ASP 29 H ASP 29 -4.497 1.743 -9.501 154 HA ASP 29 HA ASP 29 -6.417 2.440 -8.503 155 1HB ASP 29 1HB ASP 29 -6.452 -0.496 -8.085 156 H ILE 30 H ILE 30 -7.089 3.379 -6.585 157 HA ILE 30 HA ILE 30 -5.113 3.372 -4.466 158 HB ILE 30 HB ILE 30 -7.679 4.943 -4.454 159 1HG1 ILE 30 1HG1 ILE 30 -6.517 5.290 -6.623 160 1HG2 ILE 30 1HG2 ILE 30 -6.607 5.114 -2.384 161 2HG2 ILE 30 2HG2 ILE 30 -6.105 6.565 -3.250 162 3HG2 ILE 30 3HG2 ILE 30 -5.006 5.193 -3.117 163 1HD1 ILE 30 1HD1 ILE 30 -4.275 6.580 -5.127 164 2HD1 ILE 30 2HD1 ILE 30 -4.383 6.170 -6.840 165 3HD1 ILE 30 3HD1 ILE 30 -4.190 4.894 -5.638 166 H LEU 31 H LEU 31 -5.823 3.298 -2.175 167 HA LEU 31 HA LEU 31 -8.106 1.500 -1.767 168 1HB LEU 31 1HB LEU 31 -6.406 0.650 0.178 169 HG LEU 31 HG LEU 31 -4.672 1.001 -2.271 170 1HD1 LEU 31 1HD1 LEU 31 -3.813 2.030 0.358 171 2HD1 LEU 31 2HD1 LEU 31 -5.073 2.940 -0.470 172 3HD1 LEU 31 3HD1 LEU 31 -3.524 2.662 -1.261 173 1HD2 LEU 31 1HD2 LEU 31 -3.326 0.071 0.083 174 2HD2 LEU 31 2HD2 LEU 31 -3.447 -0.682 -1.508 175 3HD2 LEU 31 3HD2 LEU 31 -4.685 -0.989 -0.291 176 H THR 32 H THR 32 -6.124 2.143 0.992 177 HA THR 32 HA THR 32 -7.284 4.611 1.776 178 HB THR 32 HB THR 32 -8.432 2.088 2.982 179 HG1 THR 32 HG1 THR 32 -9.701 4.295 1.738 180 1HG2 THR 32 1HG2 THR 32 -8.738 4.935 3.894 181 2HG2 THR 32 2HG2 THR 32 -8.075 3.581 4.808 182 3HG2 THR 32 3HG2 THR 32 -9.789 3.610 4.391 183 H LEU 33 H LEU 33 -6.705 5.186 4.021 184 HA LEU 33 HA LEU 33 -4.696 3.519 5.298 185 1HB LEU 33 1HB LEU 33 -3.919 6.354 4.790 186 HG LEU 33 HG LEU 33 -3.678 4.144 2.776 187 1HD1 LEU 33 1HD1 LEU 33 -3.838 6.966 1.987 188 2HD1 LEU 33 2HD1 LEU 33 -5.242 6.355 2.861 189 3HD1 LEU 33 3HD1 LEU 33 -4.714 5.562 1.376 190 1HD2 LEU 33 1HD2 LEU 33 -1.436 5.323 3.688 191 2HD2 LEU 33 2HD2 LEU 33 -1.918 6.483 2.449 192 3HD2 LEU 33 3HD2 LEU 33 -1.657 4.791 2.021 193 H LEU 34 H LEU 34 -3.684 5.251 7.125 194 HA LEU 34 HA LEU 34 -5.864 6.716 8.364 195 1HB LEU 34 1HB LEU 34 -5.412 5.470 10.552 196 HG LEU 34 HG LEU 34 -3.938 3.718 8.685 197 1HD1 LEU 34 1HD1 LEU 34 -3.795 4.672 11.457 198 2HD1 LEU 34 2HD1 LEU 34 -2.506 4.319 10.307 199 3HD1 LEU 34 3HD1 LEU 34 -3.266 3.008 11.210 200 1HD2 LEU 34 1HD2 LEU 34 -5.654 2.184 8.874 201 2HD2 LEU 34 2HD2 LEU 34 -6.091 2.715 10.498 202 3HD2 LEU 34 3HD2 LEU 34 -4.631 1.758 10.245 203 H ASN 35 H ASN 35 -4.800 8.607 8.492 204 HA ASN 35 HA ASN 35 -3.335 10.193 9.198 205 1HB ASN 35 1HB ASN 35 -2.656 8.016 11.180 206 1HD2 ASN 35 1HD2 ASN 35 -4.104 7.854 12.721 207 2HD2 ASN 35 2HD2 ASN 35 -5.299 9.034 13.125 208 H SER 36 H SER 36 -1.239 7.421 9.907 209 HA SER 36 HA SER 36 0.776 6.769 9.075 210 1HB SER 36 1HB SER 36 0.230 8.211 6.501 211 HG SER 36 HG SER 36 -1.011 6.264 5.955 212 H THR 37 H THR 37 2.901 7.508 8.763 213 HA THR 37 HA THR 37 3.347 10.381 8.529 214 HB THR 37 HB THR 37 3.197 10.250 10.884 215 HG1 THR 37 HG1 THR 37 5.032 11.355 10.431 216 1HG2 THR 37 1HG2 THR 37 5.126 7.970 11.035 217 2HG2 THR 37 2HG2 THR 37 3.386 7.704 10.927 218 3HG2 THR 37 3HG2 THR 37 4.057 8.609 12.283 219 H ASN 38 H ASN 38 4.854 7.208 9.051 220 HA ASN 38 HA ASN 38 7.163 8.066 7.461 221 1HB ASN 38 1HB ASN 38 8.327 6.149 8.379 222 1HD2 ASN 38 1HD2 ASN 38 8.330 4.505 10.143 223 2HD2 ASN 38 2HD2 ASN 38 6.958 3.461 10.256 224 H LYS 39 H LYS 39 7.978 5.480 6.617 225 HA LYS 39 HA LYS 39 6.836 5.242 4.140 226 1HB LYS 39 1HB LYS 39 7.651 2.814 4.240 227 1HG LYS 39 1HG LYS 39 7.577 3.095 6.934 228 1HD LYS 39 1HD LYS 39 9.754 4.601 6.350 229 1HE LYS 39 1HE LYS 39 11.529 2.829 7.355 230 1HZ LYS 39 1HZ LYS 39 11.453 4.327 5.199 231 2HZ LYS 39 2HZ LYS 39 11.283 2.820 4.447 232 3HZ LYS 39 3HZ LYS 39 12.632 3.133 5.418 233 H ASP 40 H ASP 40 4.644 5.277 3.984 234 HA ASP 40 HA ASP 40 2.903 3.739 5.612 235 1HB ASP 40 1HB ASP 40 1.191 4.356 3.843 236 H TRP 41 H TRP 41 2.439 1.657 5.505 237 HA TRP 41 HA TRP 41 1.899 0.237 3.152 238 1HB TRP 41 1HB TRP 41 3.825 -1.246 3.002 239 HD1 TRP 41 HD1 TRP 41 6.127 1.338 4.450 240 HE1 TRP 41 HE1 TRP 41 7.423 0.330 6.431 241 HE3 TRP 41 HE3 TRP 41 3.497 -3.009 5.011 242 HZ2 TRP 41 HZ2 TRP 41 7.341 -2.000 8.023 243 HZ3 TRP 41 HZ3 TRP 41 4.171 -4.574 6.788 244 HH2 TRP 41 HH2 TRP 41 6.054 -4.078 8.261 245 H TRP 42 H TRP 42 2.952 0.118 6.506 246 HA TRP 42 HA TRP 42 2.416 -2.461 7.215 247 1HB TRP 42 1HB TRP 42 1.479 -1.243 9.430 248 HD1 TRP 42 HD1 TRP 42 3.985 0.741 10.275 249 HE1 TRP 42 HE1 TRP 42 3.673 3.258 9.861 250 HE3 TRP 42 HE3 TRP 42 0.256 0.557 6.761 251 HZ2 TRP 42 HZ2 TRP 42 2.074 4.941 8.271 252 HZ3 TRP 42 HZ3 TRP 42 -0.605 2.668 5.855 253 HH2 TRP 42 HH2 TRP 42 0.286 4.816 6.593 254 H LYS 43 H LYS 43 -0.026 -0.375 8.600 255 HA LYS 43 HA LYS 43 -2.059 -2.277 7.771 256 1HB LYS 43 1HB LYS 43 -1.897 -1.466 10.129 257 1HG LYS 43 1HG LYS 43 -4.487 -0.680 8.813 258 1HD LYS 43 1HD LYS 43 -3.590 -0.928 11.587 259 1HE LYS 43 1HE LYS 43 -5.554 -1.978 12.446 260 1HZ LYS 43 1HZ LYS 43 -3.665 -3.375 11.223 261 2HZ LYS 43 2HZ LYS 43 -5.005 -3.902 10.337 262 3HZ LYS 43 3HZ LYS 43 -4.974 -4.096 12.017 263 H VAL 44 H VAL 44 -3.484 -1.944 6.195 264 HA VAL 44 HA VAL 44 -3.668 0.762 5.038 265 HB VAL 44 HB VAL 44 -4.170 -1.861 3.625 266 1HG1 VAL 44 1HG1 VAL 44 -5.288 0.384 2.896 267 2HG1 VAL 44 2HG1 VAL 44 -4.553 -0.671 1.692 268 3HG1 VAL 44 3HG1 VAL 44 -3.682 0.752 2.264 269 1HG2 VAL 44 1HG2 VAL 44 -1.973 -2.058 3.371 270 2HG2 VAL 44 2HG2 VAL 44 -1.705 -0.569 4.278 271 3HG2 VAL 44 3HG2 VAL 44 -1.946 -0.506 2.532 272 H GLU 45 H GLU 45 -5.444 -2.042 6.149 273 HA GLU 45 HA GLU 45 -7.628 -2.358 6.691 274 1HB GLU 45 1HB GLU 45 -7.198 -0.107 7.819 275 1HG GLU 45 1HG GLU 45 -9.524 -1.560 7.625 276 H VAL 46 H VAL 46 -6.806 -2.430 3.932 277 HA VAL 46 HA VAL 46 -8.951 -1.238 2.398 278 HB VAL 46 HB VAL 46 -6.702 -1.375 1.428 279 1HG1 VAL 46 1HG1 VAL 46 -5.463 -3.240 1.311 280 2HG1 VAL 46 2HG1 VAL 46 -6.836 -4.245 0.847 281 3HG1 VAL 46 3HG1 VAL 46 -6.563 -3.853 2.546 282 1HG2 VAL 46 1HG2 VAL 46 -8.656 -3.124 -0.062 283 2HG2 VAL 46 2HG2 VAL 46 -7.330 -2.194 -0.756 284 3HG2 VAL 46 3HG2 VAL 46 -8.702 -1.361 -0.026 285 H ASN 47 H ASN 47 -10.478 -2.416 1.160 286 HA ASN 47 HA ASN 47 -11.709 -4.544 2.523 287 1HB ASN 47 1HB ASN 47 -12.630 -2.815 0.749 288 1HD2 ASN 47 1HD2 ASN 47 -14.060 -3.354 2.530 289 2HD2 ASN 47 2HD2 ASN 47 -15.284 -4.549 2.291 290 H ASP 48 H ASP 48 -12.265 -6.667 1.468 291 HA ASP 48 HA ASP 48 -11.620 -8.715 0.724 292 1HB ASP 48 1HB ASP 48 -10.309 -6.858 -1.204 293 H ARG 49 H ARG 49 -10.087 -7.273 2.862 294 HA ARG 49 HA ARG 49 -8.228 -9.240 3.477 295 1HB ARG 49 1HB ARG 49 -7.223 -7.267 1.614 296 1HG ARG 49 1HG ARG 49 -6.843 -9.786 1.648 297 1HD ARG 49 1HD ARG 49 -4.572 -10.254 2.801 298 HE ARG 49 HE ARG 49 -7.069 -10.860 3.623 299 1HH1 ARG 49 1HH1 ARG 49 -4.180 -9.899 5.327 300 2HH1 ARG 49 2HH1 ARG 49 -4.585 -10.779 6.764 301 1HH2 ARG 49 1HH2 ARG 49 -7.603 -12.017 5.510 302 2HH2 ARG 49 2HH2 ARG 49 -6.527 -11.982 6.868 303 H GLN 50 H GLN 50 -6.348 -7.969 4.968 304 HA GLN 50 HA GLN 50 -8.000 -6.544 6.935 305 1HB GLN 50 1HB GLN 50 -6.526 -8.740 7.342 306 1HG GLN 50 1HG GLN 50 -6.265 -6.790 9.547 307 1HE2 GLN 50 1HE2 GLN 50 -8.178 -9.630 8.607 308 2HE2 GLN 50 2HE2 GLN 50 -7.657 -10.627 9.919 309 H GLY 51 H GLY 51 -4.634 -6.525 5.735 310 1HA GLY 51 1HA GLY 51 -4.212 -4.103 4.803 311 2HA GLY 51 2HA GLY 51 -4.410 -3.706 6.504 312 H PHE 52 H PHE 52 -2.377 -5.247 4.126 313 HA PHE 52 HA PHE 52 -0.043 -4.758 5.699 314 1HB PHE 52 1HB PHE 52 -1.150 -7.530 5.497 315 HD1 PHE 52 HD1 PHE 52 -2.154 -7.931 7.511 316 HD2 PHE 52 HD2 PHE 52 1.417 -5.616 7.418 317 HE1 PHE 52 HE1 PHE 52 -2.189 -7.786 9.967 318 HE2 PHE 52 HE2 PHE 52 1.388 -5.468 9.874 319 HZ PHE 52 HZ PHE 52 -0.416 -6.554 11.152 320 H VAL 53 H VAL 53 -1.110 -4.143 3.061 321 HA VAL 53 HA VAL 53 0.117 -5.651 1.037 322 HB VAL 53 HB VAL 53 -0.125 -3.606 -0.370 323 1HG1 VAL 53 1HG1 VAL 53 -2.580 -4.268 1.251 324 2HG1 VAL 53 2HG1 VAL 53 -1.947 -5.255 -0.067 325 3HG1 VAL 53 3HG1 VAL 53 -2.535 -3.624 -0.389 326 1HG2 VAL 53 1HG2 VAL 53 -0.369 -2.376 2.243 327 2HG2 VAL 53 2HG2 VAL 53 -1.720 -1.960 1.189 328 3HG2 VAL 53 3HG2 VAL 53 -0.065 -1.637 0.672 329 HA PRO 54 HA PRO 54 4.435 -4.752 1.699 330 1HB PRO 54 1HB PRO 54 4.591 -5.187 -1.239 331 1HG PRO 54 1HG PRO 54 3.586 -7.283 -1.189 332 1HD PRO 54 1HD PRO 54 1.739 -5.922 -0.916 333 H ALA 55 H ALA 55 2.934 -3.487 -1.277 334 HA ALA 55 HA ALA 55 2.950 -1.419 -2.229 335 1HB ALA 55 1HB ALA 55 2.826 -0.887 0.435 336 2HB ALA 55 2HB ALA 55 2.750 0.330 -0.838 337 3HB ALA 55 3HB ALA 55 4.283 -0.007 -0.031 338 H ALA 56 H ALA 56 5.847 -1.236 -0.163 339 HA ALA 56 HA ALA 56 8.052 -0.962 -0.645 340 1HB ALA 56 1HB ALA 56 8.301 -2.931 -1.765 341 2HB ALA 56 2HB ALA 56 8.675 -1.811 -3.074 342 3HB ALA 56 3HB ALA 56 7.070 -2.535 -2.965 343 H TYR 57 H TYR 57 6.898 -0.491 -3.963 344 HA TYR 57 HA TYR 57 7.544 2.369 -3.732 345 1HB TYR 57 1HB TYR 57 8.613 2.315 -5.931 346 HD1 TYR 57 HD1 TYR 57 8.902 -1.262 -4.988 347 HD2 TYR 57 HD2 TYR 57 7.733 1.540 -7.968 348 HE1 TYR 57 HE1 TYR 57 8.617 -3.100 -6.596 349 HE2 TYR 57 HE2 TYR 57 7.444 -0.289 -9.585 350 HH TYR 57 HH TYR 57 6.943 -3.136 -9.072 351 H VAL 58 H VAL 58 6.011 3.680 -4.501 352 HA VAL 58 HA VAL 58 4.258 2.826 -6.645 353 HB VAL 58 HB VAL 58 3.067 3.633 -3.989 354 1HG1 VAL 58 1HG1 VAL 58 1.324 4.172 -5.277 355 2HG1 VAL 58 2HG1 VAL 58 1.116 2.438 -5.515 356 3HG1 VAL 58 3HG1 VAL 58 2.021 3.387 -6.694 357 1HG2 VAL 58 1HG2 VAL 58 3.316 0.924 -5.283 358 2HG2 VAL 58 2HG2 VAL 58 2.226 1.278 -3.943 359 3HG2 VAL 58 3HG2 VAL 58 3.968 1.438 -3.726 360 H LYS 59 H LYS 59 4.046 5.311 -4.093 361 HA LYS 59 HA LYS 59 4.603 7.382 -6.073 362 1HB LYS 59 1HB LYS 59 2.119 7.444 -4.352 363 1HG LYS 59 1HG LYS 59 2.536 6.543 -7.136 364 1HD LYS 59 1HD LYS 59 1.180 8.823 -6.976 365 1HE LYS 59 1HE LYS 59 -0.603 6.755 -5.854 366 1HZ LYS 59 1HZ LYS 59 -1.382 7.491 -8.233 367 2HZ LYS 59 2HZ LYS 59 -1.908 8.868 -7.402 368 3HZ LYS 59 3HZ LYS 59 -2.486 7.342 -6.957 369 H LYS 60 H LYS 60 3.299 7.249 -2.754 370 HA LYS 60 HA LYS 60 5.615 8.856 -1.891 371 1HB LYS 60 1HB LYS 60 4.040 9.789 -0.134 372 1HG LYS 60 1HG LYS 60 1.772 9.204 -1.943 373 1HD LYS 60 1HD LYS 60 1.720 9.176 1.039 374 1HE LYS 60 1HE LYS 60 -0.175 10.576 -0.802 375 1HZ LYS 60 1HZ LYS 60 -0.395 9.252 1.839 376 2HZ LYS 60 2HZ LYS 60 -1.743 9.741 0.945 377 3HZ LYS 60 3HZ LYS 60 -0.621 10.889 1.478 378 H LEU 61 H LEU 61 6.784 7.047 -1.214 379 HA LEU 61 HA LEU 61 6.391 6.243 1.445 380 1HB LEU 61 1HB LEU 61 5.772 3.941 1.229 381 HG LEU 61 HG LEU 61 6.805 3.467 -1.002 382 1HD1 LEU 61 1HD1 LEU 61 3.929 2.637 -1.038 383 2HD1 LEU 61 2HD1 LEU 61 5.023 2.060 0.221 384 3HD1 LEU 61 3HD1 LEU 61 5.365 1.710 -1.473 385 1HD2 LEU 61 1HD2 LEU 61 4.910 3.854 -2.851 386 2HD2 LEU 61 2HD2 LEU 61 6.209 5.007 -2.550 387 3HD2 LEU 61 3HD2 LEU 61 4.615 5.267 -1.839 388 H ASP 62 H ASP 62 8.312 5.658 2.242 389 HA ASP 62 HA ASP 62 10.230 4.210 0.629 390 1HB ASP 62 1HB ASP 62 10.906 6.964 1.684 Start of MODEL 3 1 H GLU 7 H GLU 7 -0.528 12.512 -5.277 2 HA GLU 7 HA GLU 7 -1.543 12.437 -3.230 3 1HB GLU 7 1HB GLU 7 -3.867 13.110 -3.265 4 1HG GLU 7 1HG GLU 7 -4.013 12.743 -6.223 5 H LEU 8 H LEU 8 -0.881 9.865 -4.063 6 HA LEU 8 HA LEU 8 -2.716 8.327 -2.475 7 1HB LEU 8 1HB LEU 8 -2.707 8.141 -5.427 8 HG LEU 8 HG LEU 8 -4.770 8.799 -4.327 9 1HD1 LEU 8 1HD1 LEU 8 -6.060 6.515 -5.032 10 2HD1 LEU 8 2HD1 LEU 8 -4.537 6.338 -5.902 11 3HD1 LEU 8 3HD1 LEU 8 -5.540 7.766 -6.161 12 1HD2 LEU 8 1HD2 LEU 8 -5.759 6.564 -3.071 13 2HD2 LEU 8 2HD2 LEU 8 -5.111 7.995 -2.272 14 3HD2 LEU 8 3HD2 LEU 8 -4.074 6.596 -2.551 15 H VAL 9 H VAL 9 -1.978 5.814 -2.890 16 HA VAL 9 HA VAL 9 0.928 5.668 -3.113 17 HB VAL 9 HB VAL 9 -0.439 4.540 -0.674 18 1HG1 VAL 9 1HG1 VAL 9 2.451 4.971 -1.418 19 2HG1 VAL 9 2HG1 VAL 9 1.614 3.428 -1.244 20 3HG1 VAL 9 3HG1 VAL 9 1.895 4.444 0.170 21 1HG2 VAL 9 1HG2 VAL 9 0.860 7.217 -1.074 22 2HG2 VAL 9 2HG2 VAL 9 0.793 6.447 0.511 23 3HG2 VAL 9 3HG2 VAL 9 -0.699 6.841 -0.342 24 H LEU 10 H LEU 10 0.305 4.466 -5.027 25 HA LEU 10 HA LEU 10 -1.266 2.140 -4.964 26 1HB LEU 10 1HB LEU 10 -0.005 1.548 -7.079 27 HG LEU 10 HG LEU 10 1.686 3.757 -6.221 28 1HD1 LEU 10 1HD1 LEU 10 1.764 1.496 -8.160 29 2HD1 LEU 10 2HD1 LEU 10 2.839 1.864 -6.812 30 3HD1 LEU 10 3HD1 LEU 10 2.944 2.798 -8.303 31 1HD2 LEU 10 1HD2 LEU 10 -0.054 4.726 -7.953 32 2HD2 LEU 10 2HD2 LEU 10 0.999 3.912 -9.110 33 3HD2 LEU 10 3HD2 LEU 10 1.656 5.146 -8.034 34 H ALA 11 H ALA 11 -0.034 0.000 -5.868 35 HA ALA 11 HA ALA 11 1.570 -0.850 -3.602 36 1HB ALA 11 1HB ALA 11 -0.248 -2.282 -4.327 37 2HB ALA 11 2HB ALA 11 1.297 -3.106 -4.540 38 3HB ALA 11 3HB ALA 11 0.467 -2.413 -5.934 39 H LEU 12 H LEU 12 1.985 -0.090 -6.971 40 HA LEU 12 HA LEU 12 3.884 0.259 -8.194 41 1HB LEU 12 1HB LEU 12 4.789 0.546 -5.625 42 HG LEU 12 HG LEU 12 6.615 0.638 -8.028 43 1HD1 LEU 12 1HD1 LEU 12 4.734 1.965 -8.585 44 2HD1 LEU 12 2HD1 LEU 12 5.983 3.077 -8.025 45 3HD1 LEU 12 3HD1 LEU 12 4.646 2.644 -6.961 46 1HD2 LEU 12 1HD2 LEU 12 8.111 1.741 -6.751 47 2HD2 LEU 12 2HD2 LEU 12 7.318 0.861 -5.443 48 3HD2 LEU 12 3HD2 LEU 12 6.865 2.531 -5.784 49 H TYR 13 H TYR 13 4.577 -2.542 -6.089 50 HA TYR 13 HA TYR 13 4.637 -4.235 -8.483 51 1HB TYR 13 1HB TYR 13 6.629 -5.422 -7.236 52 HD1 TYR 13 HD1 TYR 13 8.821 -3.039 -7.327 53 HD2 TYR 13 HD2 TYR 13 5.565 -4.099 -4.802 54 HE1 TYR 13 HE1 TYR 13 9.905 -1.879 -5.452 55 HE2 TYR 13 HE2 TYR 13 6.640 -2.940 -2.919 56 HH TYR 13 HH TYR 13 8.560 -0.815 -2.921 57 H ASP 14 H ASP 14 2.625 -3.904 -6.476 58 HA ASP 14 HA ASP 14 1.326 -5.048 -4.995 59 1HB ASP 14 1HB ASP 14 0.791 -7.302 -5.655 60 H TYR 15 H TYR 15 1.343 -7.372 -3.704 61 HA TYR 15 HA TYR 15 3.892 -7.384 -2.222 62 1HB TYR 15 1HB TYR 15 2.275 -6.394 -0.788 63 HD1 TYR 15 HD1 TYR 15 4.606 -8.141 -0.234 64 HD2 TYR 15 HD2 TYR 15 0.512 -8.576 0.839 65 HE1 TYR 15 HE1 TYR 15 5.267 -9.497 1.706 66 HE2 TYR 15 HE2 TYR 15 1.162 -9.934 2.784 67 HH TYR 15 HH TYR 15 3.177 -11.410 3.409 68 H GLN 16 H GLN 16 1.371 -9.273 -3.698 69 HA GLN 16 HA GLN 16 1.226 -11.477 -4.231 70 1HB GLN 16 1HB GLN 16 3.498 -11.278 -5.056 71 1HG GLN 16 1HG GLN 16 3.648 -13.735 -3.370 72 1HE2 GLN 16 1HE2 GLN 16 5.742 -12.339 -4.557 73 2HE2 GLN 16 2HE2 GLN 16 6.334 -13.259 -5.894 74 H GLU 17 H GLU 17 0.056 -12.822 -3.050 75 HA GLU 17 HA GLU 17 0.921 -13.391 -0.289 76 1HB GLU 17 1HB GLU 17 -1.411 -13.619 0.335 77 1HG GLU 17 1HG GLU 17 -2.056 -12.912 -2.519 78 H LYS 18 H LYS 18 1.100 -15.473 0.326 79 HA LYS 18 HA LYS 18 0.892 -17.506 -1.718 80 1HB LYS 18 1HB LYS 18 2.813 -17.445 -0.167 81 1HG LYS 18 1HG LYS 18 2.311 -19.877 0.866 82 1HD LYS 18 1HD LYS 18 2.688 -19.657 -2.092 83 1HE LYS 18 1HE LYS 18 2.907 -21.853 -1.206 84 1HZ LYS 18 1HZ LYS 18 4.467 -20.542 0.917 85 2HZ LYS 18 2HZ LYS 18 4.767 -22.162 0.534 86 3HZ LYS 18 3HZ LYS 18 3.228 -21.688 1.051 87 H SER 19 H SER 19 -0.642 -19.048 -1.891 88 HA SER 19 HA SER 19 -2.583 -20.188 -1.555 89 1HB SER 19 1HB SER 19 -2.853 -19.740 1.321 90 HG SER 19 HG SER 19 -0.855 -19.966 1.883 91 HA PRO 20 HA PRO 20 -6.033 -17.459 -1.557 92 1HB PRO 20 1HB PRO 20 -7.823 -18.691 0.185 93 1HG PRO 20 1HG PRO 20 -6.505 -20.467 0.844 94 1HD PRO 20 1HD PRO 20 -4.504 -20.972 -0.216 95 H ARG 21 H ARG 21 -4.680 -18.376 1.514 96 HA ARG 21 HA ARG 21 -6.045 -16.351 3.029 97 1HB ARG 21 1HB ARG 21 -4.297 -18.581 3.571 98 1HG ARG 21 1HG ARG 21 -6.609 -17.515 4.642 99 1HD ARG 21 1HD ARG 21 -5.088 -17.756 7.079 100 HE ARG 21 HE ARG 21 -6.387 -15.282 6.720 101 1HH1 ARG 21 1HH1 ARG 21 -7.074 -18.699 6.895 102 2HH1 ARG 21 2HH1 ARG 21 -8.683 -18.471 7.492 103 1HH2 ARG 21 1HH2 ARG 21 -8.501 -14.980 7.509 104 2HH2 ARG 21 2HH2 ARG 21 -9.495 -16.361 7.841 105 H GLU 22 H GLU 22 -4.087 -15.209 4.568 106 HA GLU 22 HA GLU 22 -2.662 -13.440 4.659 107 1HB GLU 22 1HB GLU 22 -1.663 -14.607 2.057 108 1HG GLU 22 1HG GLU 22 -1.308 -16.147 3.868 109 H VAL 23 H VAL 23 -1.777 -11.538 3.100 110 HA VAL 23 HA VAL 23 -4.086 -10.629 1.508 111 HB VAL 23 HB VAL 23 -2.339 -8.818 3.172 112 1HG1 VAL 23 1HG1 VAL 23 -4.523 -7.401 2.832 113 2HG1 VAL 23 2HG1 VAL 23 -4.728 -8.451 1.430 114 3HG1 VAL 23 3HG1 VAL 23 -3.278 -7.457 1.583 115 1HG2 VAL 23 1HG2 VAL 23 -3.479 -10.177 4.747 116 2HG2 VAL 23 2HG2 VAL 23 -4.986 -10.092 3.834 117 3HG2 VAL 23 3HG2 VAL 23 -4.372 -8.659 4.658 118 H THR 24 H THR 24 -3.639 -9.268 -0.268 119 HA THR 24 HA THR 24 -0.831 -8.936 -1.027 120 HB THR 24 HB THR 24 -1.573 -11.047 -2.051 121 HG1 THR 24 HG1 THR 24 -0.863 -10.550 -4.073 122 1HG2 THR 24 1HG2 THR 24 -3.421 -11.348 -3.295 123 2HG2 THR 24 2HG2 THR 24 -3.383 -9.709 -3.946 124 3HG2 THR 24 3HG2 THR 24 -4.020 -10.001 -2.328 125 H MET 25 H MET 25 -1.143 -7.931 -3.545 126 HA MET 25 HA MET 25 -3.223 -6.002 -3.745 127 1HB MET 25 1HB MET 25 -1.565 -4.025 -3.613 128 1HG MET 25 1HG MET 25 -0.159 -5.806 -1.655 129 1HE MET 25 1HE MET 25 0.219 -2.778 0.204 130 2HE MET 25 2HE MET 25 -1.015 -3.914 -0.337 131 3HE MET 25 3HE MET 25 -1.003 -2.264 -0.958 132 H LYS 26 H LYS 26 -2.823 -7.611 -5.650 133 HA LYS 26 HA LYS 26 -0.720 -7.179 -7.457 134 1HB LYS 26 1HB LYS 26 -3.534 -8.132 -8.015 135 1HG LYS 26 1HG LYS 26 -1.993 -9.444 -6.370 136 1HD LYS 26 1HD LYS 26 -1.015 -10.780 -8.829 137 1HE LYS 26 1HE LYS 26 0.709 -10.278 -6.494 138 1HZ LYS 26 1HZ LYS 26 0.054 -12.952 -7.432 139 2HZ LYS 26 2HZ LYS 26 1.555 -12.279 -7.042 140 3HZ LYS 26 3HZ LYS 26 0.845 -11.947 -8.540 141 H LYS 27 H LYS 27 -1.023 -6.297 -9.704 142 HA LYS 27 HA LYS 27 -1.346 -4.517 -11.082 143 1HB LYS 27 1HB LYS 27 -3.836 -5.328 -10.348 144 1HG LYS 27 1HG LYS 27 -3.831 -2.834 -11.923 145 1HD LYS 27 1HD LYS 27 -4.979 -4.401 -13.533 146 1HE LYS 27 1HE LYS 27 -6.321 -4.506 -10.859 147 1HZ LYS 27 1HZ LYS 27 -7.781 -5.236 -12.446 148 2HZ LYS 27 2HZ LYS 27 -7.157 -4.241 -13.662 149 3HZ LYS 27 3HZ LYS 27 -8.133 -3.580 -12.448 150 H GLY 28 H GLY 28 -2.401 -2.023 -10.797 151 1HA GLY 28 1HA GLY 28 -0.592 -0.876 -8.798 152 2HA GLY 28 2HA GLY 28 -1.306 -0.021 -10.158 153 H ASP 29 H ASP 29 -3.050 -2.050 -7.864 154 HA ASP 29 HA ASP 29 -5.099 -0.209 -7.436 155 1HB ASP 29 1HB ASP 29 -5.614 -1.623 -5.401 156 H ILE 30 H ILE 30 -5.679 0.585 -5.135 157 HA ILE 30 HA ILE 30 -3.286 1.813 -3.927 158 HB ILE 30 HB ILE 30 -5.798 3.313 -3.610 159 1HG1 ILE 30 1HG1 ILE 30 -6.021 2.567 -5.962 160 1HG2 ILE 30 1HG2 ILE 30 -3.886 5.015 -4.563 161 2HG2 ILE 30 2HG2 ILE 30 -2.916 3.771 -3.776 162 3HG2 ILE 30 3HG2 ILE 30 -4.153 4.633 -2.862 163 1HD1 ILE 30 1HD1 ILE 30 -3.305 2.759 -6.141 164 2HD1 ILE 30 2HD1 ILE 30 -3.848 4.213 -6.977 165 3HD1 ILE 30 3HD1 ILE 30 -4.418 2.630 -7.502 166 H LEU 31 H LEU 31 -4.321 3.003 -1.749 167 HA LEU 31 HA LEU 31 -5.999 1.119 -0.314 168 1HB LEU 31 1HB LEU 31 -4.165 1.274 1.585 169 HG LEU 31 HG LEU 31 -1.915 1.092 0.873 170 1HD1 LEU 31 1HD1 LEU 31 -1.181 0.675 -1.223 171 2HD1 LEU 31 2HD1 LEU 31 -2.424 1.673 -1.977 172 3HD1 LEU 31 3HD1 LEU 31 -2.818 0.049 -1.414 173 1HD2 LEU 31 1HD2 LEU 31 -2.634 3.394 -0.838 174 2HD2 LEU 31 2HD2 LEU 31 -1.470 3.277 0.479 175 3HD2 LEU 31 3HD2 LEU 31 -3.188 3.434 0.836 176 H THR 32 H THR 32 -5.921 1.960 2.179 177 HA THR 32 HA THR 32 -6.622 4.807 1.986 178 HB THR 32 HB THR 32 -8.403 3.228 2.698 179 HG1 THR 32 HG1 THR 32 -8.938 5.061 3.580 180 1HG2 THR 32 1HG2 THR 32 -6.910 2.906 5.276 181 2HG2 THR 32 2HG2 THR 32 -6.831 1.711 3.982 182 3HG2 THR 32 3HG2 THR 32 -8.379 2.089 4.739 183 H LEU 33 H LEU 33 -4.989 2.481 4.117 184 HA LEU 33 HA LEU 33 -3.265 2.716 5.582 185 1HB LEU 33 1HB LEU 33 -2.726 5.517 4.729 186 HG LEU 33 HG LEU 33 -2.921 3.360 2.808 187 1HD1 LEU 33 1HD1 LEU 33 -2.032 5.519 1.449 188 2HD1 LEU 33 2HD1 LEU 33 -2.684 6.288 2.895 189 3HD1 LEU 33 3HD1 LEU 33 -3.715 5.258 1.902 190 1HD2 LEU 33 1HD2 LEU 33 -0.232 4.167 3.649 191 2HD2 LEU 33 2HD2 LEU 33 -0.527 4.291 1.914 192 3HD2 LEU 33 3HD2 LEU 33 -0.764 2.751 2.742 193 H LEU 34 H LEU 34 -2.766 3.652 7.623 194 HA LEU 34 HA LEU 34 -4.965 4.590 9.061 195 1HB LEU 34 1HB LEU 34 -2.852 3.464 9.930 196 HG LEU 34 HG LEU 34 -3.980 5.851 11.381 197 1HD1 LEU 34 1HD1 LEU 34 -4.282 2.899 11.899 198 2HD1 LEU 34 2HD1 LEU 34 -5.427 3.866 10.968 199 3HD1 LEU 34 3HD1 LEU 34 -5.155 4.220 12.675 200 1HD2 LEU 34 1HD2 LEU 34 -1.766 4.003 12.150 201 2HD2 LEU 34 2HD2 LEU 34 -2.868 4.608 13.386 202 3HD2 LEU 34 3HD2 LEU 34 -1.925 5.739 12.415 203 H ASN 35 H ASN 35 -1.996 6.422 8.304 204 HA ASN 35 HA ASN 35 -3.600 8.799 7.807 205 1HB ASN 35 1HB ASN 35 -3.152 8.923 10.208 206 1HD2 ASN 35 1HD2 ASN 35 -0.246 10.486 9.728 207 2HD2 ASN 35 2HD2 ASN 35 -0.847 12.080 9.440 208 H SER 36 H SER 36 -0.140 8.375 8.518 209 HA SER 36 HA SER 36 0.863 8.126 5.965 210 1HB SER 36 1HB SER 36 1.635 10.694 5.840 211 HG SER 36 HG SER 36 -0.888 11.417 6.309 212 H THR 37 H THR 37 2.926 7.575 6.210 213 HA THR 37 HA THR 37 4.863 8.965 7.657 214 HB THR 37 HB THR 37 3.758 8.342 9.685 215 HG1 THR 37 HG1 THR 37 6.059 8.046 9.626 216 1HG2 THR 37 1HG2 THR 37 3.747 5.714 10.109 217 2HG2 THR 37 2HG2 THR 37 3.429 5.721 8.374 218 3HG2 THR 37 3HG2 THR 37 2.357 6.591 9.472 219 H ASN 38 H ASN 38 6.753 8.373 6.811 220 HA ASN 38 HA ASN 38 6.989 6.309 4.939 221 1HB ASN 38 1HB ASN 38 9.075 7.876 6.459 222 1HD2 ASN 38 1HD2 ASN 38 7.866 9.734 5.875 223 2HD2 ASN 38 2HD2 ASN 38 7.894 10.329 4.254 224 H LYS 39 H LYS 39 9.128 6.366 7.761 225 HA LYS 39 HA LYS 39 10.025 4.649 8.974 226 1HB LYS 39 1HB LYS 39 7.399 4.957 9.612 227 1HG LYS 39 1HG LYS 39 8.657 2.688 11.001 228 1HD LYS 39 1HD LYS 39 7.532 5.362 11.815 229 1HE LYS 39 1HE LYS 39 7.603 4.000 14.105 230 1HZ LYS 39 1HZ LYS 39 8.701 6.227 13.354 231 2HZ LYS 39 2HZ LYS 39 10.119 5.307 13.362 232 3HZ LYS 39 3HZ LYS 39 9.205 5.461 14.776 233 H ASP 40 H ASP 40 9.384 1.986 9.286 234 HA ASP 40 HA ASP 40 10.175 0.926 6.677 235 1HB ASP 40 1HB ASP 40 11.262 0.478 9.103 236 H TRP 41 H TRP 41 8.114 0.984 5.706 237 HA TRP 41 HA TRP 41 6.350 -0.196 4.852 238 1HB TRP 41 1HB TRP 41 6.386 -2.380 5.289 239 HD1 TRP 41 HD1 TRP 41 4.493 -3.919 5.929 240 HE1 TRP 41 HE1 TRP 41 2.904 -4.189 7.932 241 HE3 TRP 41 HE3 TRP 41 6.342 -0.228 8.966 242 HZ2 TRP 41 HZ2 TRP 41 2.489 -3.011 10.455 243 HZ3 TRP 41 HZ3 TRP 41 5.291 0.126 11.157 244 HH2 TRP 41 HH2 TRP 41 3.402 -1.236 11.884 245 H TRP 42 H TRP 42 3.985 -0.654 5.503 246 HA TRP 42 HA TRP 42 3.062 0.783 7.832 247 1HB TRP 42 1HB TRP 42 3.525 2.473 5.911 248 HD1 TRP 42 HD1 TRP 42 0.192 3.490 5.583 249 HE1 TRP 42 HE1 TRP 42 -0.672 4.850 7.589 250 HE3 TRP 42 HE3 TRP 42 3.754 2.218 9.023 251 HZ2 TRP 42 HZ2 TRP 42 0.059 5.321 10.274 252 HZ3 TRP 42 HZ3 TRP 42 3.600 3.167 11.288 253 HH2 TRP 42 HH2 TRP 42 1.789 4.688 11.898 254 H LYS 43 H LYS 43 1.013 0.202 8.440 255 HA LYS 43 HA LYS 43 -0.025 -2.221 7.519 256 1HB LYS 43 1HB LYS 43 -1.149 -0.016 9.219 257 1HG LYS 43 1HG LYS 43 -0.730 -2.904 9.920 258 1HD LYS 43 1HD LYS 43 -1.042 -0.375 11.531 259 1HE LYS 43 1HE LYS 43 -1.176 -2.391 13.324 260 1HZ LYS 43 1HZ LYS 43 0.161 -0.344 13.483 261 2HZ LYS 43 2HZ LYS 43 1.359 -1.067 12.531 262 3HZ LYS 43 3HZ LYS 43 0.984 -1.709 14.051 263 H VAL 44 H VAL 44 -0.840 -2.595 5.571 264 HA VAL 44 HA VAL 44 -2.339 -0.482 4.203 265 HB VAL 44 HB VAL 44 -1.407 -3.118 3.065 266 1HG1 VAL 44 1HG1 VAL 44 -2.913 -2.461 1.513 267 2HG1 VAL 44 2HG1 VAL 44 -1.574 -1.445 0.973 268 3HG1 VAL 44 3HG1 VAL 44 -2.838 -0.767 1.998 269 1HG2 VAL 44 1HG2 VAL 44 0.374 -1.705 1.980 270 2HG2 VAL 44 2HG2 VAL 44 0.562 -1.964 3.716 271 3HG2 VAL 44 3HG2 VAL 44 -0.059 -0.427 3.114 272 H GLU 45 H GLU 45 -4.171 -0.832 5.677 273 HA GLU 45 HA GLU 45 -5.597 -3.272 5.745 274 1HB GLU 45 1HB GLU 45 -5.745 -1.080 7.229 275 1HG GLU 45 1HG GLU 45 -7.205 -3.387 7.150 276 H VAL 46 H VAL 46 -6.359 -0.230 4.038 277 HA VAL 46 HA VAL 46 -7.405 0.172 2.054 278 HB VAL 46 HB VAL 46 -7.371 -2.748 1.365 279 1HG1 VAL 46 1HG1 VAL 46 -7.756 -2.053 -0.725 280 2HG1 VAL 46 2HG1 VAL 46 -6.554 -0.768 -0.616 281 3HG1 VAL 46 3HG1 VAL 46 -8.183 -0.508 0.009 282 1HG2 VAL 46 1HG2 VAL 46 -5.167 -2.757 1.857 283 2HG2 VAL 46 2HG2 VAL 46 -5.042 -1.000 1.816 284 3HG2 VAL 46 3HG2 VAL 46 -5.032 -1.919 0.312 285 H ASN 47 H ASN 47 -8.850 -0.566 4.489 286 HA ASN 47 HA ASN 47 -10.998 -0.870 5.169 287 1HB ASN 47 1HB ASN 47 -11.757 -0.813 2.246 288 1HD2 ASN 47 1HD2 ASN 47 -12.462 1.518 4.732 289 2HD2 ASN 47 2HD2 ASN 47 -11.619 2.840 4.007 290 H ASP 48 H ASP 48 -9.337 -3.153 4.684 291 HA ASP 48 HA ASP 48 -11.194 -5.217 4.991 292 1HB ASP 48 1HB ASP 48 -11.210 -4.570 2.392 293 H ARG 49 H ARG 49 -10.126 -7.412 4.910 294 HA ARG 49 HA ARG 49 -8.495 -8.788 5.702 295 1HB ARG 49 1HB ARG 49 -6.526 -6.974 4.319 296 1HG ARG 49 1HG ARG 49 -8.281 -7.340 2.702 297 1HD ARG 49 1HD ARG 49 -9.209 -9.386 3.830 298 HE ARG 49 HE ARG 49 -6.745 -10.563 2.991 299 1HH1 ARG 49 1HH1 ARG 49 -10.131 -11.212 3.535 300 2HH1 ARG 49 2HH1 ARG 49 -9.888 -12.902 3.824 301 1HH2 ARG 49 1HH2 ARG 49 -6.424 -12.785 3.370 302 2HH2 ARG 49 2HH2 ARG 49 -7.784 -13.796 3.731 303 H GLN 50 H GLN 50 -5.880 -8.379 6.511 304 HA GLN 50 HA GLN 50 -6.313 -7.066 9.039 305 1HB GLN 50 1HB GLN 50 -4.110 -8.711 7.848 306 1HG GLN 50 1HG GLN 50 -6.215 -9.475 9.305 307 1HE2 GLN 50 1HE2 GLN 50 -6.806 -8.118 11.012 308 2HE2 GLN 50 2HE2 GLN 50 -6.030 -8.206 12.553 309 H GLY 51 H GLY 51 -3.470 -6.829 6.909 310 1HA GLY 51 1HA GLY 51 -3.457 -4.307 6.024 311 2HA GLY 51 2HA GLY 51 -3.105 -4.061 7.728 312 H PHE 52 H PHE 52 -1.652 -6.731 7.708 313 HA PHE 52 HA PHE 52 0.945 -5.775 7.461 314 1HB PHE 52 1HB PHE 52 -0.139 -8.590 7.369 315 HD1 PHE 52 HD1 PHE 52 2.130 -6.342 9.305 316 HD2 PHE 52 HD2 PHE 52 -0.978 -9.248 9.387 317 HE1 PHE 52 HE1 PHE 52 2.088 -6.221 11.763 318 HE2 PHE 52 HE2 PHE 52 -1.025 -9.133 11.845 319 HZ PHE 52 HZ PHE 52 0.508 -7.617 13.034 320 H VAL 53 H VAL 53 1.432 -4.764 5.560 321 HA VAL 53 HA VAL 53 1.931 -6.496 3.282 322 HB VAL 53 HB VAL 53 0.372 -3.952 2.852 323 1HG1 VAL 53 1HG1 VAL 53 1.336 -4.366 0.834 324 2HG1 VAL 53 2HG1 VAL 53 -0.081 -5.403 0.674 325 3HG1 VAL 53 3HG1 VAL 53 1.475 -6.099 1.128 326 1HG2 VAL 53 1HG2 VAL 53 -1.037 -5.497 4.097 327 2HG2 VAL 53 2HG2 VAL 53 -0.676 -6.781 2.945 328 3HG2 VAL 53 3HG2 VAL 53 -1.591 -5.364 2.428 329 HA PRO 54 HA PRO 54 5.495 -3.695 4.090 330 1HB PRO 54 1HB PRO 54 6.613 -5.642 2.131 331 1HG PRO 54 1HG PRO 54 6.284 -7.492 3.505 332 1HD PRO 54 1HD PRO 54 4.128 -7.136 2.761 333 H ALA 55 H ALA 55 4.386 -2.006 2.929 334 HA ALA 55 HA ALA 55 4.091 -1.903 0.147 335 1HB ALA 55 1HB ALA 55 3.488 0.312 0.414 336 2HB ALA 55 2HB ALA 55 4.618 0.567 1.746 337 3HB ALA 55 3HB ALA 55 3.142 -0.362 2.007 338 H ALA 56 H ALA 56 6.864 -1.433 2.169 339 HA ALA 56 HA ALA 56 9.063 -1.085 1.710 340 1HB ALA 56 1HB ALA 56 9.329 -2.676 0.122 341 2HB ALA 56 2HB ALA 56 9.565 -1.268 -0.913 342 3HB ALA 56 3HB ALA 56 7.997 -2.074 -0.865 343 H TYR 57 H TYR 57 7.772 0.232 -1.324 344 HA TYR 57 HA TYR 57 7.986 2.951 -0.439 345 1HB TYR 57 1HB TYR 57 9.783 3.641 -1.926 346 HD1 TYR 57 HD1 TYR 57 11.094 0.264 -1.621 347 HD2 TYR 57 HD2 TYR 57 9.413 3.106 -4.303 348 HE1 TYR 57 HE1 TYR 57 11.890 -1.072 -3.526 349 HE2 TYR 57 HE2 TYR 57 10.204 1.778 -6.216 350 HH TYR 57 HH TYR 57 12.019 0.095 -6.664 351 H VAL 58 H VAL 58 6.552 4.125 -1.526 352 HA VAL 58 HA VAL 58 5.964 3.514 -4.317 353 HB VAL 58 HB VAL 58 3.744 3.716 -2.280 354 1HG1 VAL 58 1HG1 VAL 58 2.277 3.655 -3.990 355 2HG1 VAL 58 2HG1 VAL 58 3.284 2.574 -4.955 356 3HG1 VAL 58 3HG1 VAL 58 3.635 4.302 -4.911 357 1HG2 VAL 58 1HG2 VAL 58 5.032 1.631 -2.009 358 2HG2 VAL 58 2HG2 VAL 58 4.750 1.257 -3.709 359 3HG2 VAL 58 3HG2 VAL 58 3.392 1.340 -2.587 360 H LYS 59 H LYS 59 5.810 5.333 -5.458 361 HA LYS 59 HA LYS 59 5.636 7.535 -6.002 362 1HB LYS 59 1HB LYS 59 3.869 7.804 -3.569 363 1HG LYS 59 1HG LYS 59 3.412 6.108 -5.777 364 1HD LYS 59 1HD LYS 59 2.146 8.757 -6.030 365 1HE LYS 59 1HE LYS 59 0.488 6.446 -6.887 366 1HZ LYS 59 1HZ LYS 59 0.054 8.855 -7.440 367 2HZ LYS 59 2HZ LYS 59 -0.360 9.068 -5.814 368 3HZ LYS 59 3HZ LYS 59 -1.244 7.996 -6.778 369 H LYS 60 H LYS 60 5.487 9.857 -4.541 370 HA LYS 60 HA LYS 60 8.121 10.236 -3.706 371 1HB LYS 60 1HB LYS 60 5.600 11.811 -3.498 372 1HG LYS 60 1HG LYS 60 8.308 12.227 -4.704 373 1HD LYS 60 1HD LYS 60 6.223 14.365 -4.737 374 1HE LYS 60 1HE LYS 60 9.082 14.056 -5.413 375 1HZ LYS 60 1HZ LYS 60 8.876 15.779 -3.551 376 2HZ LYS 60 2HZ LYS 60 8.099 16.743 -4.704 377 3HZ LYS 60 3HZ LYS 60 9.687 16.229 -4.966 378 H LEU 61 H LEU 61 5.391 10.768 -1.501 379 HA LEU 61 HA LEU 61 5.082 10.293 0.697 380 1HB LEU 61 1HB LEU 61 5.225 7.976 0.026 381 HG LEU 61 HG LEU 61 6.682 8.608 2.570 382 1HD1 LEU 61 1HD1 LEU 61 4.633 7.403 3.466 383 2HD1 LEU 61 2HD1 LEU 61 3.983 7.522 1.831 384 3HD1 LEU 61 3HD1 LEU 61 4.372 8.986 2.735 385 1HD2 LEU 61 1HD2 LEU 61 7.290 6.484 2.974 386 2HD2 LEU 61 2HD2 LEU 61 7.271 6.336 1.216 387 3HD2 LEU 61 3HD2 LEU 61 5.874 5.815 2.160 388 H ASP 62 H ASP 62 8.463 9.223 0.509 389 HA ASP 62 HA ASP 62 9.252 10.595 2.822 390 1HB ASP 62 1HB ASP 62 10.456 8.655 1.797 Start of MODEL 4 1 H GLU 7 H GLU 7 -4.850 8.050 -0.651 2 HA GLU 7 HA GLU 7 -2.962 10.283 -0.486 3 1HB GLU 7 1HB GLU 7 -3.086 8.063 1.027 4 1HG GLU 7 1HG GLU 7 -0.335 8.423 0.839 5 H LEU 8 H LEU 8 -0.691 9.437 -1.491 6 HA LEU 8 HA LEU 8 -1.236 8.486 -4.218 7 1HB LEU 8 1HB LEU 8 -0.839 11.088 -3.773 8 HG LEU 8 HG LEU 8 0.086 11.384 -6.016 9 1HD1 LEU 8 1HD1 LEU 8 0.881 9.595 -7.345 10 2HD1 LEU 8 2HD1 LEU 8 0.366 8.392 -6.163 11 3HD1 LEU 8 3HD1 LEU 8 1.713 9.471 -5.796 12 1HD2 LEU 8 1HD2 LEU 8 -1.790 9.078 -6.277 13 2HD2 LEU 8 2HD2 LEU 8 -1.757 10.607 -7.156 14 3HD2 LEU 8 3HD2 LEU 8 -2.334 10.560 -5.489 15 H VAL 9 H VAL 9 -0.427 6.467 -3.347 16 HA VAL 9 HA VAL 9 2.455 6.273 -3.648 17 HB VAL 9 HB VAL 9 2.654 4.847 -1.586 18 1HG1 VAL 9 1HG1 VAL 9 1.974 7.765 -1.261 19 2HG1 VAL 9 2HG1 VAL 9 3.562 7.070 -1.587 20 3HG1 VAL 9 3HG1 VAL 9 2.776 6.785 -0.034 21 1HG2 VAL 9 1HG2 VAL 9 0.677 4.228 -0.716 22 2HG2 VAL 9 2HG2 VAL 9 -0.170 5.622 -1.388 23 3HG2 VAL 9 3HG2 VAL 9 0.749 5.786 0.108 24 H LEU 10 H LEU 10 0.498 5.413 -5.380 25 HA LEU 10 HA LEU 10 -0.519 2.867 -5.114 26 1HB LEU 10 1HB LEU 10 -0.439 2.728 -7.573 27 HG LEU 10 HG LEU 10 1.738 4.545 -7.381 28 1HD1 LEU 10 1HD1 LEU 10 2.210 3.716 -9.418 29 2HD1 LEU 10 2HD1 LEU 10 0.578 3.991 -10.026 30 3HD1 LEU 10 3HD1 LEU 10 0.923 2.574 -9.034 31 1HD2 LEU 10 1HD2 LEU 10 0.347 6.437 -7.450 32 2HD2 LEU 10 2HD2 LEU 10 -0.739 5.701 -8.628 33 3HD2 LEU 10 3HD2 LEU 10 0.881 6.200 -9.114 34 H ALA 11 H ALA 11 0.473 1.052 -4.551 35 HA ALA 11 HA ALA 11 3.219 0.597 -4.561 36 1HB ALA 11 1HB ALA 11 2.322 -0.947 -3.206 37 2HB ALA 11 2HB ALA 11 2.206 -1.931 -4.665 38 3HB ALA 11 3HB ALA 11 0.810 -1.007 -4.112 39 H LEU 12 H LEU 12 4.204 1.043 -6.505 40 HA LEU 12 HA LEU 12 3.383 0.275 -9.043 41 1HB LEU 12 1HB LEU 12 6.020 0.949 -7.825 42 HG LEU 12 HG LEU 12 4.117 2.498 -9.069 43 1HD1 LEU 12 1HD1 LEU 12 6.904 2.775 -8.213 44 2HD1 LEU 12 2HD1 LEU 12 5.505 3.796 -7.885 45 3HD1 LEU 12 3HD1 LEU 12 6.384 3.965 -9.405 46 1HD2 LEU 12 1HD2 LEU 12 5.631 3.202 -11.132 47 2HD2 LEU 12 2HD2 LEU 12 4.365 1.983 -11.271 48 3HD2 LEU 12 3HD2 LEU 12 6.046 1.488 -11.082 49 H TYR 13 H TYR 13 4.825 -1.623 -6.531 50 HA TYR 13 HA TYR 13 4.704 -3.964 -8.289 51 1HB TYR 13 1HB TYR 13 7.101 -2.844 -7.035 52 HD1 TYR 13 HD1 TYR 13 5.847 -5.743 -9.037 53 HD2 TYR 13 HD2 TYR 13 8.679 -2.588 -8.691 54 HE1 TYR 13 HE1 TYR 13 6.781 -6.347 -11.231 55 HE2 TYR 13 HE2 TYR 13 9.620 -3.183 -10.884 56 HH TYR 13 HH TYR 13 8.141 -4.939 -13.105 57 H ASP 14 H ASP 14 2.749 -4.453 -7.195 58 HA ASP 14 HA ASP 14 2.771 -4.884 -4.340 59 1HB ASP 14 1HB ASP 14 0.623 -5.767 -6.267 60 H TYR 15 H TYR 15 1.153 -7.232 -4.242 61 HA TYR 15 HA TYR 15 1.227 -9.515 -4.284 62 1HB TYR 15 1HB TYR 15 2.298 -8.928 -6.706 63 HD1 TYR 15 HD1 TYR 15 3.827 -11.967 -6.520 64 HD2 TYR 15 HD2 TYR 15 -0.048 -10.267 -6.075 65 HE1 TYR 15 HE1 TYR 15 2.817 -14.144 -7.051 66 HE2 TYR 15 HE2 TYR 15 -1.068 -12.441 -6.606 67 HH TYR 15 HH TYR 15 0.295 -15.215 -6.388 68 H GLN 16 H GLN 16 3.398 -11.257 -4.255 69 HA GLN 16 HA GLN 16 5.144 -12.019 -3.001 70 1HB GLN 16 1HB GLN 16 5.500 -9.281 -1.804 71 1HG GLN 16 1HG GLN 16 6.009 -10.108 -4.579 72 1HE2 GLN 16 1HE2 GLN 16 7.487 -7.578 -4.949 73 2HE2 GLN 16 2HE2 GLN 16 9.132 -7.950 -4.576 74 H GLU 17 H GLU 17 3.703 -9.456 -0.978 75 HA GLU 17 HA GLU 17 2.672 -9.512 1.045 76 1HB GLU 17 1HB GLU 17 1.067 -10.976 -0.068 77 1HG GLU 17 1HG GLU 17 1.772 -11.515 2.756 78 H LYS 18 H LYS 18 3.756 -12.895 1.045 79 HA LYS 18 HA LYS 18 5.131 -14.049 2.440 80 1HB LYS 18 1HB LYS 18 6.622 -12.019 1.438 81 1HG LYS 18 1HG LYS 18 8.606 -13.067 2.447 82 1HD LYS 18 1HD LYS 18 6.487 -14.537 1.040 83 1HE LYS 18 1HE LYS 18 7.120 -16.169 2.785 84 1HZ LYS 18 1HZ LYS 18 9.274 -15.897 3.396 85 2HZ LYS 18 2HZ LYS 18 9.804 -15.499 1.840 86 3HZ LYS 18 3HZ LYS 18 9.498 -17.113 2.241 87 H SER 19 H SER 19 2.840 -13.290 3.652 88 HA SER 19 HA SER 19 3.456 -13.454 6.377 89 1HB SER 19 1HB SER 19 4.120 -11.196 6.441 90 HG SER 19 HG SER 19 2.805 -10.709 7.992 91 HA PRO 20 HA PRO 20 -0.749 -14.799 6.359 92 1HB PRO 20 1HB PRO 20 -1.382 -14.524 8.991 93 1HG PRO 20 1HG PRO 20 0.417 -13.227 9.678 94 1HD PRO 20 1HD PRO 20 2.323 -13.006 8.396 95 H ARG 21 H ARG 21 -0.014 -11.740 7.965 96 HA ARG 21 HA ARG 21 -2.745 -10.812 7.391 97 1HB ARG 21 1HB ARG 21 -1.499 -10.719 9.758 98 1HG ARG 21 1HG ARG 21 -2.796 -8.264 9.790 99 1HD ARG 21 1HD ARG 21 -4.712 -9.602 10.671 100 HE ARG 21 HE ARG 21 -2.178 -9.452 11.830 101 1HH1 ARG 21 1HH1 ARG 21 -5.082 -11.370 12.087 102 2HH1 ARG 21 2HH1 ARG 21 -4.838 -11.741 13.761 103 1HH2 ARG 21 1HH2 ARG 21 -1.856 -9.939 14.032 104 2HH2 ARG 21 2HH2 ARG 21 -3.007 -10.928 14.865 105 H GLU 22 H GLU 22 -1.762 -10.726 5.113 106 HA GLU 22 HA GLU 22 -1.017 -7.962 4.614 107 1HB GLU 22 1HB GLU 22 0.777 -10.282 4.144 108 1HG GLU 22 1HG GLU 22 1.003 -7.506 5.078 109 H VAL 23 H VAL 23 -0.645 -7.851 2.019 110 HA VAL 23 HA VAL 23 -2.802 -9.396 0.750 111 HB VAL 23 HB VAL 23 -2.375 -6.467 0.180 112 1HG1 VAL 23 1HG1 VAL 23 -4.595 -6.627 -0.826 113 2HG1 VAL 23 2HG1 VAL 23 -4.675 -8.334 -0.391 114 3HG1 VAL 23 3HG1 VAL 23 -3.480 -7.779 -1.561 115 1HG2 VAL 23 1HG2 VAL 23 -4.111 -7.777 2.242 116 2HG2 VAL 23 2HG2 VAL 23 -4.578 -6.242 1.507 117 3HG2 VAL 23 3HG2 VAL 23 -3.063 -6.368 2.402 118 H THR 24 H THR 24 -2.633 -9.584 -1.559 119 HA THR 24 HA THR 24 0.146 -9.351 -2.489 120 HB THR 24 HB THR 24 -0.948 -10.971 -4.323 121 HG1 THR 24 HG1 THR 24 -2.821 -11.647 -3.723 122 1HG2 THR 24 1HG2 THR 24 0.268 -12.619 -3.422 123 2HG2 THR 24 2HG2 THR 24 -0.458 -12.425 -1.826 124 3HG2 THR 24 3HG2 THR 24 0.838 -11.346 -2.342 125 H MET 25 H MET 25 -2.894 -9.612 -4.300 126 HA MET 25 HA MET 25 -3.616 -8.527 -6.166 127 1HB MET 25 1HB MET 25 -4.066 -6.219 -5.876 128 1HG MET 25 1HG MET 25 -1.526 -5.856 -5.007 129 1HE MET 25 1HE MET 25 -2.795 -3.365 -2.947 130 2HE MET 25 2HE MET 25 -2.971 -3.945 -1.291 131 3HE MET 25 3HE MET 25 -4.227 -4.284 -2.481 132 H LYS 26 H LYS 26 -2.937 -6.404 -7.631 133 HA LYS 26 HA LYS 26 -0.216 -5.931 -8.070 134 1HB LYS 26 1HB LYS 26 -1.157 -8.458 -9.090 135 1HG LYS 26 1HG LYS 26 1.030 -8.101 -8.016 136 1HD LYS 26 1HD LYS 26 1.267 -5.935 -9.668 137 1HE LYS 26 1HE LYS 26 3.055 -6.319 -11.201 138 1HZ LYS 26 1HZ LYS 26 2.048 -7.839 -12.770 139 2HZ LYS 26 2HZ LYS 26 0.857 -6.872 -12.059 140 3HZ LYS 26 3HZ LYS 26 1.047 -8.477 -11.564 141 H LYS 27 H LYS 27 -0.610 -3.888 -8.670 142 HA LYS 27 HA LYS 27 -1.410 -3.236 -11.255 143 1HB LYS 27 1HB LYS 27 -3.580 -2.063 -10.715 144 1HG LYS 27 1HG LYS 27 -3.588 -3.877 -8.314 145 1HD LYS 27 1HD LYS 27 -5.664 -2.420 -7.849 146 1HE LYS 27 1HE LYS 27 -7.102 -3.894 -9.240 147 1HZ LYS 27 1HZ LYS 27 -5.648 -4.599 -7.135 148 2HZ LYS 27 2HZ LYS 27 -5.067 -5.720 -8.261 149 3HZ LYS 27 3HZ LYS 27 -6.721 -5.651 -7.913 150 H GLY 28 H GLY 28 -1.712 -0.846 -11.545 151 1HA GLY 28 1HA GLY 28 0.062 0.534 -9.669 152 2HA GLY 28 2HA GLY 28 -0.357 1.077 -11.287 153 H ASP 29 H ASP 29 -2.887 -0.013 -9.193 154 HA ASP 29 HA ASP 29 -4.203 2.516 -9.324 155 1HB ASP 29 1HB ASP 29 -4.797 -0.161 -8.174 156 H ILE 30 H ILE 30 -5.054 3.613 -7.337 157 HA ILE 30 HA ILE 30 -2.829 4.127 -5.548 158 HB ILE 30 HB ILE 30 -5.502 5.467 -5.312 159 1HG1 ILE 30 1HG1 ILE 30 -5.005 5.580 -7.684 160 1HG2 ILE 30 1HG2 ILE 30 -2.685 6.041 -4.550 161 2HG2 ILE 30 2HG2 ILE 30 -4.172 6.248 -3.624 162 3HG2 ILE 30 3HG2 ILE 30 -3.758 7.397 -4.896 163 1HD1 ILE 30 1HD1 ILE 30 -2.892 5.365 -8.337 164 2HD1 ILE 30 2HD1 ILE 30 -2.260 5.923 -6.790 165 3HD1 ILE 30 3HD1 ILE 30 -2.755 7.093 -8.012 166 H LEU 31 H LEU 31 -3.332 4.462 -3.186 167 HA LEU 31 HA LEU 31 -5.432 2.802 -2.089 168 1HB LEU 31 1HB LEU 31 -4.018 1.297 -0.897 169 HG LEU 31 HG LEU 31 -1.516 1.210 -1.491 170 1HD1 LEU 31 1HD1 LEU 31 -1.879 4.173 -1.844 171 2HD1 LEU 31 2HD1 LEU 31 -1.734 3.055 -3.200 172 3HD1 LEU 31 3HD1 LEU 31 -0.411 3.219 -2.045 173 1HD2 LEU 31 1HD2 LEU 31 -2.170 3.500 0.310 174 2HD2 LEU 31 2HD2 LEU 31 -0.988 2.208 0.519 175 3HD2 LEU 31 3HD2 LEU 31 -2.707 1.871 0.720 176 H THR 32 H THR 32 -5.388 2.866 0.352 177 HA THR 32 HA THR 32 -4.553 5.553 1.200 178 HB THR 32 HB THR 32 -6.603 3.697 2.427 179 HG1 THR 32 HG1 THR 32 -6.823 5.932 0.713 180 1HG2 THR 32 1HG2 THR 32 -7.357 5.819 3.561 181 2HG2 THR 32 2HG2 THR 32 -5.795 6.503 3.112 182 3HG2 THR 32 3HG2 THR 32 -5.870 5.093 4.169 183 H LEU 33 H LEU 33 -3.815 5.818 3.431 184 HA LEU 33 HA LEU 33 -2.361 3.449 4.411 185 1HB LEU 33 1HB LEU 33 -1.313 6.209 4.866 186 HG LEU 33 HG LEU 33 -1.609 6.096 2.407 187 1HD1 LEU 33 1HD1 LEU 33 0.338 7.226 3.552 188 2HD1 LEU 33 2HD1 LEU 33 0.581 6.789 1.861 189 3HD1 LEU 33 3HD1 LEU 33 1.292 5.801 3.137 190 1HD2 LEU 33 1HD2 LEU 33 -0.596 4.442 1.081 191 2HD2 LEU 33 2HD2 LEU 33 -1.404 3.559 2.376 192 3HD2 LEU 33 3HD2 LEU 33 0.340 3.810 2.435 193 H LEU 34 H LEU 34 -1.364 4.414 6.745 194 HA LEU 34 HA LEU 34 -3.363 5.768 8.294 195 1HB LEU 34 1HB LEU 34 -4.309 3.475 8.079 196 HG LEU 34 HG LEU 34 -3.421 4.025 10.912 197 1HD1 LEU 34 1HD1 LEU 34 -5.794 5.067 10.958 198 2HD1 LEU 34 2HD1 LEU 34 -5.569 5.223 9.215 199 3HD1 LEU 34 3HD1 LEU 34 -4.445 6.011 10.323 200 1HD2 LEU 34 1HD2 LEU 34 -5.996 2.746 10.113 201 2HD2 LEU 34 2HD2 LEU 34 -5.092 2.608 11.621 202 3HD2 LEU 34 3HD2 LEU 34 -4.523 1.779 10.172 203 H ASN 35 H ASN 35 -1.559 7.091 8.749 204 HA ASN 35 HA ASN 35 0.183 7.835 10.008 205 1HB ASN 35 1HB ASN 35 -0.921 5.595 11.624 206 1HD2 ASN 35 1HD2 ASN 35 0.672 7.766 13.502 207 2HD2 ASN 35 2HD2 ASN 35 -0.608 8.892 13.790 208 H SER 36 H SER 36 1.591 7.406 8.213 209 HA SER 36 HA SER 36 3.458 5.189 8.743 210 1HB SER 36 1HB SER 36 3.876 5.211 6.227 211 HG SER 36 HG SER 36 2.761 6.552 5.075 212 H THR 37 H THR 37 3.567 7.840 6.390 213 HA THR 37 HA THR 37 5.061 9.519 6.039 214 HB THR 37 HB THR 37 5.599 9.257 9.004 215 HG1 THR 37 HG1 THR 37 3.720 10.819 7.570 216 1HG2 THR 37 1HG2 THR 37 6.778 10.956 7.056 217 2HG2 THR 37 2HG2 THR 37 7.037 10.915 8.801 218 3HG2 THR 37 3HG2 THR 37 5.762 11.926 8.122 219 H ASN 38 H ASN 38 7.206 9.800 5.482 220 HA ASN 38 HA ASN 38 9.292 9.145 4.880 221 1HB ASN 38 1HB ASN 38 10.633 9.101 6.675 222 1HD2 ASN 38 1HD2 ASN 38 12.020 7.727 7.500 223 2HD2 ASN 38 2HD2 ASN 38 11.667 6.131 8.057 224 H LYS 39 H LYS 39 10.771 7.205 4.571 225 HA LYS 39 HA LYS 39 11.108 5.181 3.607 226 1HB LYS 39 1HB LYS 39 8.911 4.404 5.533 227 1HG LYS 39 1HG LYS 39 11.406 5.200 6.183 228 1HD LYS 39 1HD LYS 39 11.756 2.294 6.490 229 1HE LYS 39 1HE LYS 39 13.273 4.413 7.071 230 1HZ LYS 39 1HZ LYS 39 15.123 4.305 5.350 231 2HZ LYS 39 2HZ LYS 39 13.754 5.216 4.954 232 3HZ LYS 39 3HZ LYS 39 13.961 3.673 4.296 233 H ASP 40 H ASP 40 8.023 3.776 3.848 234 HA ASP 40 HA ASP 40 6.651 4.944 1.714 235 1HB ASP 40 1HB ASP 40 8.620 4.119 0.417 236 H TRP 41 H TRP 41 7.398 1.535 2.448 237 HA TRP 41 HA TRP 41 4.630 0.825 2.496 238 1HB TRP 41 1HB TRP 41 5.408 -1.406 3.075 239 HD1 TRP 41 HD1 TRP 41 6.562 -1.846 5.424 240 HE1 TRP 41 HE1 TRP 41 9.028 -1.955 6.156 241 HE3 TRP 41 HE3 TRP 41 8.726 0.307 1.321 242 HZ2 TRP 41 HZ2 TRP 41 11.554 -1.226 5.131 243 HZ3 TRP 41 HZ3 TRP 41 11.172 0.565 1.276 244 HH2 TRP 41 HH2 TRP 41 12.556 -0.186 3.143 245 H TRP 42 H TRP 42 3.253 0.927 4.140 246 HA TRP 42 HA TRP 42 3.992 0.425 6.840 247 1HB TRP 42 1HB TRP 42 3.777 3.245 5.906 248 HD1 TRP 42 HD1 TRP 42 6.011 4.401 6.385 249 HE1 TRP 42 HE1 TRP 42 8.072 3.887 7.838 250 HE3 TRP 42 HE3 TRP 42 4.284 0.240 8.805 251 HZ2 TRP 42 HZ2 TRP 42 8.863 1.972 9.755 252 HZ3 TRP 42 HZ3 TRP 42 5.757 -0.873 10.433 253 HH2 TRP 42 HH2 TRP 42 7.999 -0.024 10.896 254 H LYS 43 H LYS 43 2.267 -1.067 6.395 255 HA LYS 43 HA LYS 43 0.123 -1.810 6.532 256 1HB LYS 43 1HB LYS 43 -0.355 0.869 7.850 257 1HG LYS 43 1HG LYS 43 -0.162 -1.582 9.469 258 1HD LYS 43 1HD LYS 43 1.283 0.201 10.769 259 1HE LYS 43 1HE LYS 43 -0.956 1.230 11.566 260 1HZ LYS 43 1HZ LYS 43 -1.438 -0.698 12.824 261 2HZ LYS 43 2HZ LYS 43 0.239 -0.677 12.607 262 3HZ LYS 43 3HZ LYS 43 -0.719 -1.723 11.685 263 H VAL 44 H VAL 44 -0.313 -1.870 4.327 264 HA VAL 44 HA VAL 44 -1.427 0.492 3.041 265 HB VAL 44 HB VAL 44 -1.106 -2.262 1.849 266 1HG1 VAL 44 1HG1 VAL 44 -0.902 0.176 0.208 267 2HG1 VAL 44 2HG1 VAL 44 -2.498 -0.170 0.874 268 3HG1 VAL 44 3HG1 VAL 44 -1.687 -1.365 -0.137 269 1HG2 VAL 44 1HG2 VAL 44 0.867 -0.049 2.219 270 2HG2 VAL 44 2HG2 VAL 44 0.959 -1.074 0.786 271 3HG2 VAL 44 3HG2 VAL 44 1.086 -1.791 2.394 272 H GLU 45 H GLU 45 -3.526 0.747 2.425 273 HA GLU 45 HA GLU 45 -5.434 -1.395 2.551 274 1HB GLU 45 1HB GLU 45 -6.882 -0.202 4.245 275 1HG GLU 45 1HG GLU 45 -4.507 1.517 4.372 276 H VAL 46 H VAL 46 -7.184 -0.983 1.293 277 HA VAL 46 HA VAL 46 -7.950 1.718 0.622 278 HB VAL 46 HB VAL 46 -6.089 1.338 -0.941 279 1HG1 VAL 46 1HG1 VAL 46 -6.116 -0.369 -2.596 280 2HG1 VAL 46 2HG1 VAL 46 -7.744 -0.874 -2.137 281 3HG1 VAL 46 3HG1 VAL 46 -6.392 -1.150 -1.039 282 1HG2 VAL 46 1HG2 VAL 46 -7.267 1.929 -2.987 283 2HG2 VAL 46 2HG2 VAL 46 -7.984 2.751 -1.601 284 3HG2 VAL 46 3HG2 VAL 46 -8.782 1.343 -2.301 285 H ASN 47 H ASN 47 -8.278 -1.721 -0.205 286 HA ASN 47 HA ASN 47 -11.013 -1.842 0.380 287 1HB ASN 47 1HB ASN 47 -10.779 -0.441 -1.890 288 1HD2 ASN 47 1HD2 ASN 47 -12.666 0.412 -1.277 289 2HD2 ASN 47 2HD2 ASN 47 -14.179 -0.419 -1.302 290 H ASP 48 H ASP 48 -8.684 -3.381 0.823 291 HA ASP 48 HA ASP 48 -9.552 -5.922 -0.358 292 1HB ASP 48 1HB ASP 48 -6.671 -5.029 -0.111 293 H ARG 49 H ARG 49 -6.965 -4.877 1.859 294 HA ARG 49 HA ARG 49 -8.288 -6.063 4.127 295 1HB ARG 49 1HB ARG 49 -6.039 -7.424 2.730 296 1HG ARG 49 1HG ARG 49 -8.335 -8.398 4.412 297 1HD ARG 49 1HD ARG 49 -7.666 -10.613 3.933 298 HE ARG 49 HE ARG 49 -5.001 -9.831 4.557 299 1HH1 ARG 49 1HH1 ARG 49 -8.264 -9.843 5.792 300 2HH1 ARG 49 2HH1 ARG 49 -7.769 -9.829 7.452 301 1HH2 ARG 49 1HH2 ARG 49 -4.348 -9.812 6.739 302 2HH2 ARG 49 2HH2 ARG 49 -5.546 -9.810 7.989 303 H GLN 50 H GLN 50 -6.449 -6.176 5.992 304 HA GLN 50 HA GLN 50 -5.157 -3.530 5.933 305 1HB GLN 50 1HB GLN 50 -6.101 -5.092 8.343 306 1HG GLN 50 1HG GLN 50 -7.742 -3.769 6.619 307 1HE2 GLN 50 1HE2 GLN 50 -9.136 -1.920 6.869 308 2HE2 GLN 50 2HE2 GLN 50 -8.493 -0.442 7.493 309 H GLY 51 H GLY 51 -3.037 -3.322 6.526 310 1HA GLY 51 1HA GLY 51 -1.257 -4.524 7.949 311 2HA GLY 51 2HA GLY 51 -1.551 -5.848 6.832 312 H PHE 52 H PHE 52 0.934 -4.455 7.305 313 HA PHE 52 HA PHE 52 1.533 -2.561 5.339 314 1HB PHE 52 1HB PHE 52 3.925 -3.457 5.630 315 HD1 PHE 52 HD1 PHE 52 2.692 -4.127 8.950 316 HD2 PHE 52 HD2 PHE 52 4.113 -5.920 5.362 317 HE1 PHE 52 HE1 PHE 52 3.110 -6.223 10.169 318 HE2 PHE 52 HE2 PHE 52 4.534 -8.020 6.575 319 HZ PHE 52 HZ PHE 52 4.033 -8.173 8.981 320 H VAL 53 H VAL 53 2.852 -2.827 3.405 321 HA VAL 53 HA VAL 53 2.769 -5.446 2.133 322 HB VAL 53 HB VAL 53 1.542 -3.050 0.768 323 1HG1 VAL 53 1HG1 VAL 53 0.858 -4.621 -0.928 324 2HG1 VAL 53 2HG1 VAL 53 1.540 -5.963 -0.008 325 3HG1 VAL 53 3HG1 VAL 53 2.602 -4.734 -0.695 326 1HG2 VAL 53 1HG2 VAL 53 0.112 -3.741 2.605 327 2HG2 VAL 53 2HG2 VAL 53 0.182 -5.415 2.056 328 3HG2 VAL 53 3HG2 VAL 53 -0.614 -4.194 1.064 329 HA PRO 54 HA PRO 54 6.775 -4.217 0.684 330 1HB PRO 54 1HB PRO 54 6.016 -5.722 -1.770 331 1HG PRO 54 1HG PRO 54 5.494 -7.684 -0.629 332 1HD PRO 54 1HD PRO 54 3.624 -6.414 -0.160 333 H ALA 55 H ALA 55 6.612 -2.038 0.286 334 HA ALA 55 HA ALA 55 5.062 -0.781 -1.646 335 1HB ALA 55 1HB ALA 55 7.648 0.016 -0.337 336 2HB ALA 55 2HB ALA 55 6.014 0.572 0.029 337 3HB ALA 55 3HB ALA 55 6.800 1.067 -1.471 338 H ALA 56 H ALA 56 8.351 -2.069 -1.875 339 HA ALA 56 HA ALA 56 9.741 -2.430 -3.645 340 1HB ALA 56 1HB ALA 56 8.057 -4.069 -4.200 341 2HB ALA 56 2HB ALA 56 8.661 -3.322 -5.680 342 3HB ALA 56 3HB ALA 56 7.093 -2.846 -5.026 343 H TYR 57 H TYR 57 9.683 0.169 -3.195 344 HA TYR 57 HA TYR 57 10.114 2.200 -4.104 345 1HB TYR 57 1HB TYR 57 11.460 2.067 -5.893 346 HD1 TYR 57 HD1 TYR 57 10.027 -0.597 -7.783 347 HD2 TYR 57 HD2 TYR 57 9.969 3.625 -7.270 348 HE1 TYR 57 HE1 TYR 57 9.048 -0.345 -10.025 349 HE2 TYR 57 HE2 TYR 57 8.989 3.890 -9.510 350 HH TYR 57 HH TYR 57 7.751 2.629 -11.140 351 H VAL 58 H VAL 58 8.633 3.737 -4.178 352 HA VAL 58 HA VAL 58 6.384 3.448 -6.050 353 HB VAL 58 HB VAL 58 5.955 3.026 -3.464 354 1HG1 VAL 58 1HG1 VAL 58 6.900 5.440 -3.082 355 2HG1 VAL 58 2HG1 VAL 58 5.539 4.844 -2.134 356 3HG1 VAL 58 3HG1 VAL 58 5.256 5.922 -3.500 357 1HG2 VAL 58 1HG2 VAL 58 3.835 4.741 -4.512 358 2HG2 VAL 58 2HG2 VAL 58 3.801 3.038 -4.060 359 3HG2 VAL 58 3HG2 VAL 58 4.391 3.515 -5.651 360 H LYS 59 H LYS 59 5.104 5.838 -5.585 361 HA LYS 59 HA LYS 59 6.456 7.648 -7.146 362 1HB LYS 59 1HB LYS 59 4.171 7.812 -5.268 363 1HG LYS 59 1HG LYS 59 3.276 9.137 -7.298 364 1HD LYS 59 1HD LYS 59 3.632 6.272 -6.860 365 1HE LYS 59 1HE LYS 59 4.413 6.444 -9.204 366 1HZ LYS 59 1HZ LYS 59 2.382 6.904 -10.762 367 2HZ LYS 59 2HZ LYS 59 3.378 8.167 -10.244 368 3HZ LYS 59 3HZ LYS 59 1.890 7.901 -9.486 369 H LYS 60 H LYS 60 5.843 8.438 -3.735 370 HA LYS 60 HA LYS 60 8.513 8.730 -2.947 371 1HB LYS 60 1HB LYS 60 7.803 10.733 -4.715 372 1HG LYS 60 1HG LYS 60 10.097 10.189 -4.138 373 1HD LYS 60 1HD LYS 60 10.128 11.898 -1.744 374 1HE LYS 60 1HE LYS 60 11.264 9.161 -1.854 375 1HZ LYS 60 1HZ LYS 60 11.690 10.670 0.007 376 2HZ LYS 60 2HZ LYS 60 12.411 11.778 -1.048 377 3HZ LYS 60 3HZ LYS 60 13.116 10.261 -0.806 378 H LEU 61 H LEU 61 5.753 10.944 -2.533 379 HA LEU 61 HA LEU 61 4.518 11.512 -0.710 380 1HB LEU 61 1HB LEU 61 3.993 9.071 -0.787 381 HG LEU 61 HG LEU 61 3.950 10.559 1.797 382 1HD1 LEU 61 1HD1 LEU 61 1.865 9.340 -0.004 383 2HD1 LEU 61 2HD1 LEU 61 2.246 11.052 0.179 384 3HD1 LEU 61 3HD1 LEU 61 1.518 10.164 1.515 385 1HD2 LEU 61 1HD2 LEU 61 2.533 8.413 2.506 386 2HD2 LEU 61 2HD2 LEU 61 4.246 8.592 2.883 387 3HD2 LEU 61 3HD2 LEU 61 3.744 7.622 1.497 388 H ASP 62 H ASP 62 5.625 13.176 0.186 389 HA ASP 62 HA ASP 62 7.385 12.512 2.438 390 1HB ASP 62 1HB ASP 62 8.888 14.382 1.811 Start of MODEL 5 1 H GLU 7 H GLU 7 -2.537 14.485 -0.934 2 HA GLU 7 HA GLU 7 -1.268 11.982 -0.571 3 1HB GLU 7 1HB GLU 7 -2.231 13.247 1.293 4 1HG GLU 7 1HG GLU 7 -3.940 10.811 1.197 5 H LEU 8 H LEU 8 -1.496 10.422 -2.051 6 HA LEU 8 HA LEU 8 -4.228 9.574 -2.717 7 1HB LEU 8 1HB LEU 8 -2.652 10.832 -4.530 8 HG LEU 8 HG LEU 8 -3.933 9.716 -6.349 9 1HD1 LEU 8 1HD1 LEU 8 -4.885 8.001 -4.069 10 2HD1 LEU 8 2HD1 LEU 8 -4.109 7.485 -5.566 11 3HD1 LEU 8 3HD1 LEU 8 -5.746 8.143 -5.601 12 1HD2 LEU 8 1HD2 LEU 8 -4.852 11.641 -5.160 13 2HD2 LEU 8 2HD2 LEU 8 -5.563 10.566 -3.957 14 3HD2 LEU 8 3HD2 LEU 8 -6.123 10.513 -5.628 15 H VAL 9 H VAL 9 -0.911 8.480 -3.443 16 HA VAL 9 HA VAL 9 0.158 6.499 -3.091 17 HB VAL 9 HB VAL 9 -1.888 5.841 -0.982 18 1HG1 VAL 9 1HG1 VAL 9 -0.503 4.196 -0.405 19 2HG1 VAL 9 2HG1 VAL 9 0.893 5.272 -0.412 20 3HG1 VAL 9 3HG1 VAL 9 0.362 4.507 -1.910 21 1HG2 VAL 9 1HG2 VAL 9 0.158 7.975 -0.998 22 2HG2 VAL 9 2HG2 VAL 9 0.052 6.992 0.464 23 3HG2 VAL 9 3HG2 VAL 9 -1.365 7.868 -0.115 24 H LEU 10 H LEU 10 0.109 4.589 -4.133 25 HA LEU 10 HA LEU 10 -2.511 3.385 -4.709 26 1HB LEU 10 1HB LEU 10 -1.365 2.727 -6.960 27 HG LEU 10 HG LEU 10 0.825 3.915 -6.296 28 1HD1 LEU 10 1HD1 LEU 10 0.513 3.083 -8.505 29 2HD1 LEU 10 2HD1 LEU 10 1.126 4.733 -8.643 30 3HD1 LEU 10 3HD1 LEU 10 -0.586 4.402 -8.909 31 1HD2 LEU 10 1HD2 LEU 10 0.381 6.013 -5.562 32 2HD2 LEU 10 2HD2 LEU 10 -1.060 6.180 -6.566 33 3HD2 LEU 10 3HD2 LEU 10 0.541 6.381 -7.278 34 H ALA 11 H ALA 11 -2.576 1.151 -4.824 35 HA ALA 11 HA ALA 11 -0.718 -0.259 -3.256 36 1HB ALA 11 1HB ALA 11 -2.820 -1.207 -3.245 37 2HB ALA 11 2HB ALA 11 -1.943 -2.294 -4.322 38 3HB ALA 11 3HB ALA 11 -3.010 -1.060 -4.992 39 H LEU 12 H LEU 12 1.311 0.279 -4.278 40 HA LEU 12 HA LEU 12 1.831 -1.142 -6.796 41 1HB LEU 12 1HB LEU 12 2.782 1.337 -5.643 42 HG LEU 12 HG LEU 12 1.905 1.053 -7.981 43 1HD1 LEU 12 1HD1 LEU 12 3.561 2.581 -8.988 44 2HD1 LEU 12 2HD1 LEU 12 4.642 2.264 -7.631 45 3HD1 LEU 12 3HD1 LEU 12 3.091 3.058 -7.355 46 1HD2 LEU 12 1HD2 LEU 12 3.157 0.041 -9.655 47 2HD2 LEU 12 2HD2 LEU 12 3.330 -1.071 -8.298 48 3HD2 LEU 12 3HD2 LEU 12 4.635 0.050 -8.692 49 H TYR 13 H TYR 13 1.554 -2.524 -4.260 50 HA TYR 13 HA TYR 13 4.259 -3.281 -3.521 51 1HB TYR 13 1HB TYR 13 2.360 -5.064 -2.356 52 HD1 TYR 13 HD1 TYR 13 0.044 -4.639 -2.964 53 HD2 TYR 13 HD2 TYR 13 2.378 -1.670 -1.005 54 HE1 TYR 13 HE1 TYR 13 -2.005 -3.393 -2.420 55 HE2 TYR 13 HE2 TYR 13 0.335 -0.417 -0.456 56 HH TYR 13 HH TYR 13 -2.768 -1.738 -0.765 57 H ASP 14 H ASP 14 1.369 -5.064 -4.638 58 HA ASP 14 HA ASP 14 1.170 -7.030 -5.785 59 1HB ASP 14 1HB ASP 14 1.891 -5.576 -7.608 60 H TYR 15 H TYR 15 1.622 -8.480 -4.103 61 HA TYR 15 HA TYR 15 4.272 -9.737 -4.306 62 1HB TYR 15 1HB TYR 15 3.485 -8.319 -2.106 63 HD1 TYR 15 HD1 TYR 15 5.932 -8.124 -3.086 64 HD2 TYR 15 HD2 TYR 15 4.556 -11.314 -0.630 65 HE1 TYR 15 HE1 TYR 15 8.255 -8.632 -2.454 66 HE2 TYR 15 HE2 TYR 15 6.874 -11.832 0.009 67 HH TYR 15 HH TYR 15 9.136 -11.500 -0.845 68 H GLN 16 H GLN 16 1.412 -10.550 -2.354 69 HA GLN 16 HA GLN 16 0.140 -12.408 -3.854 70 1HB GLN 16 1HB GLN 16 1.214 -14.580 -2.963 71 1HG GLN 16 1HG GLN 16 3.092 -12.700 -1.936 72 1HE2 GLN 16 1HE2 GLN 16 3.756 -15.583 -3.896 73 2HE2 GLN 16 2HE2 GLN 16 5.215 -14.980 -4.598 74 H GLU 17 H GLU 17 -0.762 -14.327 -2.414 75 HA GLU 17 HA GLU 17 -1.356 -13.175 0.234 76 1HB GLU 17 1HB GLU 17 -3.164 -14.978 -1.379 77 1HG GLU 17 1HG GLU 17 -3.477 -12.010 -1.022 78 H LYS 18 H LYS 18 -0.491 -16.039 -1.559 79 HA LYS 18 HA LYS 18 -0.854 -17.889 0.576 80 1HB LYS 18 1HB LYS 18 0.440 -19.438 -0.835 81 1HG LYS 18 1HG LYS 18 0.592 -17.529 -3.073 82 1HD LYS 18 1HD LYS 18 1.221 -20.022 -3.022 83 1HE LYS 18 1HE LYS 18 2.711 -19.403 -0.894 84 1HZ LYS 18 1HZ LYS 18 4.729 -19.440 -3.053 85 2HZ LYS 18 2HZ LYS 18 4.953 -19.105 -1.412 86 3HZ LYS 18 3HZ LYS 18 4.157 -17.987 -2.402 87 H SER 19 H SER 19 1.675 -15.695 -0.315 88 HA SER 19 HA SER 19 3.907 -16.877 0.820 89 1HB SER 19 1HB SER 19 3.079 -14.111 0.188 90 HG SER 19 HG SER 19 5.663 -14.680 -0.189 91 HA PRO 20 HA PRO 20 2.999 -16.868 5.162 92 1HB PRO 20 1HB PRO 20 5.455 -17.337 6.142 93 1HG PRO 20 1HG PRO 20 6.755 -16.751 4.311 94 1HD PRO 20 1HD PRO 20 5.832 -16.479 2.233 95 H ARG 21 H ARG 21 2.846 -14.320 4.374 96 HA ARG 21 HA ARG 21 4.654 -12.850 6.178 97 1HB ARG 21 1HB ARG 21 3.654 -12.262 3.463 98 1HG ARG 21 1HG ARG 21 5.814 -10.607 4.294 99 1HD ARG 21 1HD ARG 21 5.365 -12.841 2.371 100 HE ARG 21 HE ARG 21 7.591 -13.326 2.477 101 1HH1 ARG 21 1HH1 ARG 21 7.190 -9.883 2.880 102 2HH1 ARG 21 2HH1 ARG 21 8.889 -9.555 2.846 103 1HH2 ARG 21 1HH2 ARG 21 9.827 -12.896 2.430 104 2HH2 ARG 21 2HH2 ARG 21 10.387 -11.265 2.589 105 H GLU 22 H GLU 22 1.456 -12.364 4.666 106 HA GLU 22 HA GLU 22 0.005 -12.379 7.067 107 1HB GLU 22 1HB GLU 22 1.315 -9.852 6.390 108 1HG GLU 22 1HG GLU 22 0.951 -11.274 8.669 109 H VAL 23 H VAL 23 -0.075 -10.197 4.242 110 HA VAL 23 HA VAL 23 -2.327 -11.670 3.142 111 HB VAL 23 HB VAL 23 -2.797 -8.740 3.343 112 1HG1 VAL 23 1HG1 VAL 23 -4.475 -9.727 2.152 113 2HG1 VAL 23 2HG1 VAL 23 -5.159 -9.832 3.774 114 3HG1 VAL 23 3HG1 VAL 23 -4.379 -11.239 3.053 115 1HG2 VAL 23 1HG2 VAL 23 -3.978 -9.066 5.520 116 2HG2 VAL 23 2HG2 VAL 23 -2.222 -9.166 5.625 117 3HG2 VAL 23 3HG2 VAL 23 -3.191 -10.638 5.651 118 H THR 24 H THR 24 -0.959 -8.401 2.731 119 HA THR 24 HA THR 24 -0.131 -7.312 0.916 120 HB THR 24 HB THR 24 0.788 -9.712 -0.504 121 HG1 THR 24 HG1 THR 24 1.261 -10.746 1.264 122 1HG2 THR 24 1HG2 THR 24 3.022 -8.580 -0.026 123 2HG2 THR 24 2HG2 THR 24 2.060 -7.234 0.583 124 3HG2 THR 24 3HG2 THR 24 1.888 -7.753 -1.094 125 H MET 25 H MET 25 -0.037 -7.492 -1.656 126 HA MET 25 HA MET 25 -2.003 -8.937 -3.028 127 1HB MET 25 1HB MET 25 -3.709 -7.203 -3.380 128 1HG MET 25 1HG MET 25 -1.890 -5.410 -2.435 129 1HE MET 25 1HE MET 25 -5.070 -6.610 -0.648 130 2HE MET 25 2HE MET 25 -5.339 -4.877 -0.457 131 3HE MET 25 3HE MET 25 -4.973 -5.873 0.951 132 H LYS 26 H LYS 26 -2.734 -7.383 -5.075 133 HA LYS 26 HA LYS 26 -0.355 -5.937 -5.987 134 1HB LYS 26 1HB LYS 26 -1.304 -7.332 -8.245 135 1HG LYS 26 1HG LYS 26 -2.196 -8.945 -6.403 136 1HD LYS 26 1HD LYS 26 0.609 -8.931 -5.846 137 1HE LYS 26 1HE LYS 26 1.181 -11.219 -5.979 138 1HZ LYS 26 1HZ LYS 26 0.914 -9.798 -8.203 139 2HZ LYS 26 2HZ LYS 26 -0.087 -11.106 -8.589 140 3HZ LYS 26 3HZ LYS 26 1.532 -11.373 -8.181 141 H LYS 27 H LYS 27 -1.026 -5.284 -8.491 142 HA LYS 27 HA LYS 27 -2.258 -3.849 -9.753 143 1HB LYS 27 1HB LYS 27 -3.964 -5.750 -9.319 144 1HG LYS 27 1HG LYS 27 -5.342 -3.163 -9.875 145 1HD LYS 27 1HD LYS 27 -6.287 -4.557 -11.729 146 1HE LYS 27 1HE LYS 27 -7.202 -4.312 -9.279 147 1HZ LYS 27 1HZ LYS 27 -6.387 -5.970 -8.016 148 2HZ LYS 27 2HZ LYS 27 -6.072 -6.988 -9.328 149 3HZ LYS 27 3HZ LYS 27 -7.643 -6.865 -8.714 150 H GLY 28 H GLY 28 -2.124 -1.721 -9.531 151 1HA GLY 28 1HA GLY 28 -2.026 -0.387 -7.074 152 2HA GLY 28 2HA GLY 28 -2.252 0.388 -8.635 153 H ASP 29 H ASP 29 -4.390 0.720 -9.418 154 HA ASP 29 HA ASP 29 -6.504 1.531 -9.131 155 1HB ASP 29 1HB ASP 29 -6.599 -1.129 -8.882 156 H ILE 30 H ILE 30 -4.487 2.371 -7.161 157 HA ILE 30 HA ILE 30 -4.341 3.605 -5.261 158 HB ILE 30 HB ILE 30 -7.322 3.866 -5.142 159 1HG1 ILE 30 1HG1 ILE 30 -6.824 4.093 -7.512 160 1HG2 ILE 30 1HG2 ILE 30 -6.410 6.316 -4.769 161 2HG2 ILE 30 2HG2 ILE 30 -4.934 5.449 -4.348 162 3HG2 ILE 30 3HG2 ILE 30 -6.427 5.130 -3.464 163 1HD1 ILE 30 1HD1 ILE 30 -4.723 4.645 -8.042 164 2HD1 ILE 30 2HD1 ILE 30 -4.478 5.563 -6.558 165 3HD1 ILE 30 3HD1 ILE 30 -5.324 6.297 -7.919 166 H LEU 31 H LEU 31 -5.088 3.749 -2.931 167 HA LEU 31 HA LEU 31 -6.483 1.458 -1.874 168 1HB LEU 31 1HB LEU 31 -4.672 0.528 -0.629 169 HG LEU 31 HG LEU 31 -2.269 1.313 -1.241 170 1HD1 LEU 31 1HD1 LEU 31 -1.977 3.646 -1.624 171 2HD1 LEU 31 2HD1 LEU 31 -3.709 3.945 -1.488 172 3HD1 LEU 31 3HD1 LEU 31 -3.076 3.036 -2.859 173 1HD2 LEU 31 1HD2 LEU 31 -3.530 1.364 0.996 174 2HD2 LEU 31 2HD2 LEU 31 -3.727 3.088 0.679 175 3HD2 LEU 31 3HD2 LEU 31 -2.111 2.394 0.808 176 H THR 32 H THR 32 -5.926 1.517 0.716 177 HA THR 32 HA THR 32 -6.164 4.339 1.534 178 HB THR 32 HB THR 32 -7.736 2.002 2.638 179 HG1 THR 32 HG1 THR 32 -9.503 3.130 1.715 180 1HG2 THR 32 1HG2 THR 32 -7.458 3.496 4.430 181 2HG2 THR 32 2HG2 THR 32 -9.053 3.834 3.757 182 3HG2 THR 32 3HG2 THR 32 -7.699 4.904 3.393 183 H LEU 33 H LEU 33 -5.662 4.715 3.833 184 HA LEU 33 HA LEU 33 -3.754 2.750 4.909 185 1HB LEU 33 1HB LEU 33 -3.268 5.670 5.285 186 HG LEU 33 HG LEU 33 -3.486 5.196 2.764 187 1HD1 LEU 33 1HD1 LEU 33 -2.020 6.875 2.375 188 2HD1 LEU 33 2HD1 LEU 33 -0.736 6.123 3.321 189 3HD1 LEU 33 3HD1 LEU 33 -2.046 6.977 4.136 190 1HD2 LEU 33 1HD2 LEU 33 -0.909 3.744 3.345 191 2HD2 LEU 33 2HD2 LEU 33 -1.522 4.153 1.743 192 3HD2 LEU 33 3HD2 LEU 33 -2.404 3.016 2.762 193 H LEU 34 H LEU 34 -3.051 3.965 7.228 194 HA LEU 34 HA LEU 34 -5.131 5.135 8.708 195 1HB LEU 34 1HB LEU 34 -6.170 2.909 8.323 196 HG LEU 34 HG LEU 34 -6.499 4.245 10.531 197 1HD1 LEU 34 1HD1 LEU 34 -8.154 2.779 11.110 198 2HD1 LEU 34 2HD1 LEU 34 -7.135 1.359 10.867 199 3HD1 LEU 34 3HD1 LEU 34 -7.802 2.215 9.476 200 1HD2 LEU 34 1HD2 LEU 34 -5.827 2.547 12.434 201 2HD2 LEU 34 2HD2 LEU 34 -4.714 3.800 11.886 202 3HD2 LEU 34 3HD2 LEU 34 -4.538 2.147 11.299 203 H ASN 35 H ASN 35 -3.449 6.369 9.511 204 HA ASN 35 HA ASN 35 -1.798 6.974 10.953 205 1HB ASN 35 1HB ASN 35 -3.246 5.829 12.602 206 1HD2 ASN 35 1HD2 ASN 35 -0.088 4.278 12.724 207 2HD2 ASN 35 2HD2 ASN 35 0.526 5.220 14.036 208 H SER 36 H SER 36 -0.144 6.906 9.420 209 HA SER 36 HA SER 36 1.989 5.124 9.993 210 1HB SER 36 1HB SER 36 0.924 3.480 8.681 211 HG SER 36 HG SER 36 2.140 3.592 6.626 212 H THR 37 H THR 37 3.716 6.376 9.811 213 HA THR 37 HA THR 37 3.803 8.359 7.631 214 HB THR 37 HB THR 37 5.407 9.546 9.381 215 HG1 THR 37 HG1 THR 37 4.558 9.248 11.491 216 1HG2 THR 37 1HG2 THR 37 3.423 10.613 8.501 217 2HG2 THR 37 2HG2 THR 37 3.541 10.861 10.243 218 3HG2 THR 37 3HG2 THR 37 2.410 9.672 9.597 219 H ASN 38 H ASN 38 6.126 9.114 7.228 220 HA ASN 38 HA ASN 38 8.235 8.647 6.523 221 1HB ASN 38 1HB ASN 38 7.969 7.039 8.995 222 1HD2 ASN 38 1HD2 ASN 38 8.144 8.887 10.150 223 2HD2 ASN 38 2HD2 ASN 38 9.542 9.901 10.142 224 H LYS 39 H LYS 39 7.382 5.333 7.458 225 HA LYS 39 HA LYS 39 8.168 4.317 4.906 226 1HB LYS 39 1HB LYS 39 7.104 3.162 7.439 227 1HG LYS 39 1HG LYS 39 8.989 1.455 6.533 228 1HD LYS 39 1HD LYS 39 10.564 3.231 7.820 229 1HE LYS 39 1HE LYS 39 8.419 1.585 9.155 230 1HZ LYS 39 1HZ LYS 39 10.415 1.314 10.753 231 2HZ LYS 39 2HZ LYS 39 9.455 2.704 10.856 232 3HZ LYS 39 3HZ LYS 39 10.952 2.766 10.070 233 H ASP 40 H ASP 40 6.651 2.742 3.738 234 HA ASP 40 HA ASP 40 3.915 3.807 3.640 235 1HB ASP 40 1HB ASP 40 4.057 3.531 1.113 236 H TRP 41 H TRP 41 4.757 1.471 4.952 237 HA TRP 41 HA TRP 41 3.051 -0.454 3.666 238 1HB TRP 41 1HB TRP 41 4.777 -2.263 3.658 239 HD1 TRP 41 HD1 TRP 41 7.082 0.783 3.126 240 HE1 TRP 41 HE1 TRP 41 9.224 0.419 4.507 241 HE3 TRP 41 HE3 TRP 41 5.754 -3.506 5.574 242 HZ2 TRP 41 HZ2 TRP 41 10.218 -1.439 6.384 243 HZ3 TRP 41 HZ3 TRP 41 7.358 -4.512 7.145 244 HH2 TRP 41 HH2 TRP 41 9.544 -3.499 7.541 245 H TRP 42 H TRP 42 3.158 1.038 6.153 246 HA TRP 42 HA TRP 42 3.951 -0.685 8.274 247 1HB TRP 42 1HB TRP 42 2.556 1.911 8.016 248 HD1 TRP 42 HD1 TRP 42 4.860 3.131 7.928 249 HE1 TRP 42 HE1 TRP 42 6.810 3.392 9.589 250 HE3 TRP 42 HE3 TRP 42 3.465 -0.379 11.375 251 HZ2 TRP 42 HZ2 TRP 42 7.645 2.259 12.036 252 HZ3 TRP 42 HZ3 TRP 42 4.896 -0.729 13.345 253 HH2 TRP 42 HH2 TRP 42 6.942 0.563 13.668 254 H LYS 43 H LYS 43 0.789 0.121 6.847 255 HA LYS 43 HA LYS 43 -0.225 -2.491 7.356 256 1HB LYS 43 1HB LYS 43 -0.403 -1.649 9.629 257 1HG LYS 43 1HG LYS 43 -3.221 -1.289 9.023 258 1HD LYS 43 1HD LYS 43 -3.280 -3.471 10.346 259 1HE LYS 43 1HE LYS 43 -3.579 -1.174 11.304 260 1HZ LYS 43 1HZ LYS 43 -1.640 -0.491 12.754 261 2HZ LYS 43 2HZ LYS 43 -1.490 -0.176 11.098 262 3HZ LYS 43 3HZ LYS 43 -0.678 -1.491 11.785 263 H VAL 44 H VAL 44 -0.742 -2.398 5.164 264 HA VAL 44 HA VAL 44 -2.708 -0.391 4.326 265 HB VAL 44 HB VAL 44 -1.307 -2.431 2.596 266 1HG1 VAL 44 1HG1 VAL 44 -2.956 -1.772 1.213 267 2HG1 VAL 44 2HG1 VAL 44 -1.932 -0.354 0.986 268 3HG1 VAL 44 3HG1 VAL 44 -3.276 -0.298 2.126 269 1HG2 VAL 44 1HG2 VAL 44 0.324 -0.946 3.656 270 2HG2 VAL 44 2HG2 VAL 44 -0.573 0.455 3.071 271 3HG2 VAL 44 3HG2 VAL 44 0.201 -0.639 1.925 272 H GLU 45 H GLU 45 -4.777 -0.901 3.806 273 HA GLU 45 HA GLU 45 -5.570 -3.712 4.171 274 1HB GLU 45 1HB GLU 45 -7.912 -2.373 4.417 275 1HG GLU 45 1HG GLU 45 -6.544 -0.188 4.327 276 H VAL 46 H VAL 46 -6.963 -0.853 2.550 277 HA VAL 46 HA VAL 46 -7.685 -0.543 0.402 278 HB VAL 46 HB VAL 46 -6.722 -3.296 -0.338 279 1HG1 VAL 46 1HG1 VAL 46 -6.191 -1.699 -2.437 280 2HG1 VAL 46 2HG1 VAL 46 -7.587 -0.861 -1.757 281 3HG1 VAL 46 3HG1 VAL 46 -7.717 -2.558 -2.223 282 1HG2 VAL 46 1HG2 VAL 46 -4.653 -2.700 0.251 283 2HG2 VAL 46 2HG2 VAL 46 -5.132 -1.027 0.542 284 3HG2 VAL 46 3HG2 VAL 46 -4.713 -1.554 -1.088 285 H ASN 47 H ASN 47 -9.761 -0.734 1.548 286 HA ASN 47 HA ASN 47 -11.938 -1.397 1.552 287 1HB ASN 47 1HB ASN 47 -11.187 -3.461 -0.523 288 1HD2 ASN 47 1HD2 ASN 47 -10.702 -2.828 -2.510 289 2HD2 ASN 47 2HD2 ASN 47 -10.718 -1.194 -3.072 290 H ASP 48 H ASP 48 -10.193 -4.440 0.897 291 HA ASP 48 HA ASP 48 -11.248 -5.474 3.446 292 1HB ASP 48 1HB ASP 48 -11.975 -6.400 0.993 293 H ARG 49 H ARG 49 -9.872 -7.899 3.447 294 HA ARG 49 HA ARG 49 -7.881 -8.857 3.995 295 1HB ARG 49 1HB ARG 49 -6.490 -6.589 2.578 296 1HG ARG 49 1HG ARG 49 -8.382 -8.179 1.345 297 1HD ARG 49 1HD ARG 49 -7.168 -9.654 -0.117 298 HE ARG 49 HE ARG 49 -7.280 -10.194 2.639 299 1HH1 ARG 49 1HH1 ARG 49 -5.719 -11.340 -0.264 300 2HH1 ARG 49 2HH1 ARG 49 -5.556 -12.963 0.313 301 1HH2 ARG 49 1HH2 ARG 49 -7.065 -12.330 3.402 302 2HH2 ARG 49 2HH2 ARG 49 -6.320 -13.526 2.396 303 H GLN 50 H GLN 50 -6.548 -8.799 5.750 304 HA GLN 50 HA GLN 50 -6.919 -6.695 7.620 305 1HB GLN 50 1HB GLN 50 -6.237 -9.304 7.836 306 1HG GLN 50 1HG GLN 50 -5.151 -7.775 10.075 307 1HE2 GLN 50 1HE2 GLN 50 -5.426 -8.926 11.871 308 2HE2 GLN 50 2HE2 GLN 50 -6.435 -10.319 12.017 309 H GLY 51 H GLY 51 -4.517 -6.277 8.843 310 1HA GLY 51 1HA GLY 51 -3.304 -4.355 7.063 311 2HA GLY 51 2HA GLY 51 -2.900 -4.614 8.754 312 H PHE 52 H PHE 52 -0.674 -4.399 8.105 313 HA PHE 52 HA PHE 52 1.384 -5.230 7.607 314 1HB PHE 52 1HB PHE 52 -0.212 -7.557 8.408 315 HD1 PHE 52 HD1 PHE 52 0.059 -6.803 10.647 316 HD2 PHE 52 HD2 PHE 52 3.452 -7.417 8.151 317 HE1 PHE 52 HE1 PHE 52 1.530 -6.636 12.613 318 HE2 PHE 52 HE2 PHE 52 4.929 -7.251 10.111 319 HZ PHE 52 HZ PHE 52 3.968 -6.861 12.346 320 H VAL 53 H VAL 53 2.052 -4.698 5.630 321 HA VAL 53 HA VAL 53 1.413 -6.499 3.419 322 HB VAL 53 HB VAL 53 1.108 -3.499 3.224 323 1HG1 VAL 53 1HG1 VAL 53 0.226 -4.099 0.923 324 2HG1 VAL 53 2HG1 VAL 53 0.964 -5.683 1.163 325 3HG1 VAL 53 3HG1 VAL 53 1.969 -4.234 1.155 326 1HG2 VAL 53 1HG2 VAL 53 -0.881 -4.084 4.170 327 2HG2 VAL 53 2HG2 VAL 53 -0.812 -5.737 3.561 328 3HG2 VAL 53 3HG2 VAL 53 -1.271 -4.418 2.483 329 HA PRO 54 HA PRO 54 5.932 -5.875 3.439 330 1HB PRO 54 1HB PRO 54 5.697 -8.028 1.412 331 1HG PRO 54 1HG PRO 54 4.577 -9.532 2.782 332 1HD PRO 54 1HD PRO 54 2.888 -8.037 2.246 333 H ALA 55 H ALA 55 7.106 -6.647 0.869 334 HA ALA 55 HA ALA 55 7.451 -5.886 -1.266 335 1HB ALA 55 1HB ALA 55 4.736 -5.411 -0.990 336 2HB ALA 55 2HB ALA 55 5.683 -5.245 -2.468 337 3HB ALA 55 3HB ALA 55 5.398 -3.839 -1.441 338 H ALA 56 H ALA 56 6.545 -3.547 1.215 339 HA ALA 56 HA ALA 56 7.588 -1.689 1.989 340 1HB ALA 56 1HB ALA 56 9.986 -1.687 0.394 341 2HB ALA 56 2HB ALA 56 9.668 -3.297 1.038 342 3HB ALA 56 3HB ALA 56 9.794 -1.919 2.132 343 H TYR 57 H TYR 57 8.942 -1.751 -1.298 344 HA TYR 57 HA TYR 57 8.541 0.935 -1.846 345 1HB TYR 57 1HB TYR 57 9.111 0.454 -4.074 346 HD1 TYR 57 HD1 TYR 57 9.005 -0.697 -6.155 347 HD2 TYR 57 HD2 TYR 57 7.379 -2.482 -2.653 348 HE1 TYR 57 HE1 TYR 57 7.895 -2.398 -7.542 349 HE2 TYR 57 HE2 TYR 57 6.269 -4.187 -4.030 350 HH TYR 57 HH TYR 57 6.811 -5.200 -6.498 351 H VAL 58 H VAL 58 7.056 1.927 -3.417 352 HA VAL 58 HA VAL 58 4.662 0.770 -4.254 353 HB VAL 58 HB VAL 58 4.065 0.561 -1.923 354 1HG1 VAL 58 1HG1 VAL 58 5.612 2.596 -1.346 355 2HG1 VAL 58 2HG1 VAL 58 4.231 2.191 -0.326 356 3HG1 VAL 58 3HG1 VAL 58 4.109 3.506 -1.496 357 1HG2 VAL 58 1HG2 VAL 58 1.985 1.004 -2.553 358 2HG2 VAL 58 2HG2 VAL 58 2.575 2.075 -3.822 359 3HG2 VAL 58 3HG2 VAL 58 2.253 2.712 -2.211 360 H LYS 59 H LYS 59 5.966 3.790 -2.892 361 HA LYS 59 HA LYS 59 5.950 5.186 -5.299 362 1HB LYS 59 1HB LYS 59 3.977 6.323 -5.446 363 1HG LYS 59 1HG LYS 59 4.082 7.472 -3.299 364 1HD LYS 59 1HD LYS 59 2.893 4.929 -2.198 365 1HE LYS 59 1HE LYS 59 3.410 7.606 -0.914 366 1HZ LYS 59 1HZ LYS 59 3.875 6.250 0.826 367 2HZ LYS 59 2HZ LYS 59 2.978 4.950 0.223 368 3HZ LYS 59 3HZ LYS 59 2.187 6.251 0.962 369 H LYS 60 H LYS 60 5.902 7.713 -4.798 370 HA LYS 60 HA LYS 60 7.350 8.131 -2.266 371 1HB LYS 60 1HB LYS 60 8.678 8.100 -4.540 372 1HG LYS 60 1HG LYS 60 9.016 10.234 -2.449 373 1HD LYS 60 1HD LYS 60 11.483 9.906 -3.435 374 1HE LYS 60 1HE LYS 60 10.828 11.909 -5.008 375 1HZ LYS 60 1HZ LYS 60 10.477 12.121 -2.067 376 2HZ LYS 60 2HZ LYS 60 10.895 13.373 -3.126 377 3HZ LYS 60 3HZ LYS 60 11.974 12.099 -2.859 378 H LEU 61 H LEU 61 5.582 9.016 -1.215 379 HA LEU 61 HA LEU 61 3.847 10.948 -2.273 380 1HB LEU 61 1HB LEU 61 3.874 9.514 -0.010 381 HG LEU 61 HG LEU 61 2.095 10.960 0.943 382 1HD1 LEU 61 1HD1 LEU 61 2.971 13.133 0.364 383 2HD1 LEU 61 2HD1 LEU 61 1.377 12.926 -0.361 384 3HD1 LEU 61 3HD1 LEU 61 2.825 12.768 -1.356 385 1HD2 LEU 61 1HD2 LEU 61 0.512 10.578 -0.794 386 2HD2 LEU 61 2HD2 LEU 61 1.693 9.267 -0.861 387 3HD2 LEU 61 3HD2 LEU 61 1.773 10.588 -2.028 388 H ASP 62 H ASP 62 4.821 12.653 -3.274 389 HA ASP 62 HA ASP 62 6.265 14.514 -1.521 390 1HB ASP 62 1HB ASP 62 7.817 13.198 -3.064 Start of MODEL 6 1 H GLU 7 H GLU 7 -6.621 9.232 -4.679 2 HA GLU 7 HA GLU 7 -5.444 10.514 -2.484 3 1HB GLU 7 1HB GLU 7 -6.621 8.255 -1.595 4 1HG GLU 7 1HG GLU 7 -4.309 8.253 -0.080 5 H LEU 8 H LEU 8 -3.150 9.027 -2.095 6 HA LEU 8 HA LEU 8 -2.095 8.309 -4.706 7 1HB LEU 8 1HB LEU 8 -1.689 10.892 -3.526 8 HG LEU 8 HG LEU 8 -1.996 10.526 -5.947 9 1HD1 LEU 8 1HD1 LEU 8 -0.721 12.317 -6.550 10 2HD1 LEU 8 2HD1 LEU 8 0.711 11.724 -5.711 11 3HD1 LEU 8 3HD1 LEU 8 -0.608 12.452 -4.796 12 1HD2 LEU 8 1HD2 LEU 8 -0.724 8.469 -6.183 13 2HD2 LEU 8 2HD2 LEU 8 0.769 9.329 -5.805 14 3HD2 LEU 8 3HD2 LEU 8 -0.115 9.704 -7.286 15 H VAL 9 H VAL 9 0.592 8.309 -4.087 16 HA VAL 9 HA VAL 9 2.257 7.238 -2.985 17 HB VAL 9 HB VAL 9 2.239 6.880 -0.722 18 1HG1 VAL 9 1HG1 VAL 9 1.313 8.745 0.252 19 2HG1 VAL 9 2HG1 VAL 9 -0.171 8.638 -0.698 20 3HG1 VAL 9 3HG1 VAL 9 1.324 9.194 -1.453 21 1HG2 VAL 9 1HG2 VAL 9 -0.373 6.657 0.243 22 2HG2 VAL 9 2HG2 VAL 9 0.839 5.382 0.136 23 3HG2 VAL 9 3HG2 VAL 9 -0.314 5.612 -1.176 24 H LEU 10 H LEU 10 0.526 5.983 -4.875 25 HA LEU 10 HA LEU 10 -0.412 3.478 -4.351 26 1HB LEU 10 1HB LEU 10 0.322 2.868 -6.666 27 HG LEU 10 HG LEU 10 2.329 4.663 -6.459 28 1HD1 LEU 10 1HD1 LEU 10 2.578 3.248 -8.213 29 2HD1 LEU 10 2HD1 LEU 10 2.060 4.676 -9.110 30 3HD1 LEU 10 3HD1 LEU 10 0.897 3.408 -8.725 31 1HD2 LEU 10 1HD2 LEU 10 1.418 6.416 -8.265 32 2HD2 LEU 10 2HD2 LEU 10 1.376 6.714 -6.528 33 3HD2 LEU 10 3HD2 LEU 10 -0.069 6.139 -7.358 34 H ALA 11 H ALA 11 0.469 1.916 -3.174 35 HA ALA 11 HA ALA 11 3.133 1.604 -2.503 36 1HB ALA 11 1HB ALA 11 2.329 -0.918 -2.237 37 2HB ALA 11 2HB ALA 11 0.750 -0.159 -2.441 38 3HB ALA 11 3HB ALA 11 1.815 0.357 -1.134 39 H LEU 12 H LEU 12 4.633 1.644 -4.110 40 HA LEU 12 HA LEU 12 4.492 0.524 -6.629 41 1HB LEU 12 1HB LEU 12 6.809 1.092 -4.809 42 HG LEU 12 HG LEU 12 5.386 2.651 -6.730 43 1HD1 LEU 12 1HD1 LEU 12 7.405 4.231 -5.981 44 2HD1 LEU 12 2HD1 LEU 12 7.541 2.990 -4.736 45 3HD1 LEU 12 3HD1 LEU 12 6.027 3.872 -4.939 46 1HD2 LEU 12 1HD2 LEU 12 8.231 2.010 -7.480 47 2HD2 LEU 12 2HD2 LEU 12 7.368 3.440 -8.046 48 3HD2 LEU 12 3HD2 LEU 12 6.784 1.831 -8.472 49 H TYR 13 H TYR 13 5.532 -1.375 -7.530 50 HA TYR 13 HA TYR 13 5.961 -3.604 -7.662 51 1HB TYR 13 1HB TYR 13 6.945 -2.870 -5.017 52 HD1 TYR 13 HD1 TYR 13 8.924 -2.167 -6.167 53 HD2 TYR 13 HD2 TYR 13 7.469 -6.137 -6.633 54 HE1 TYR 13 HE1 TYR 13 11.045 -2.813 -7.229 55 HE2 TYR 13 HE2 TYR 13 9.586 -6.795 -7.696 56 HH TYR 13 HH TYR 13 12.357 -5.041 -7.517 57 H ASP 14 H ASP 14 4.452 -3.381 -4.438 58 HA ASP 14 HA ASP 14 2.594 -4.361 -3.563 59 1HB ASP 14 1HB ASP 14 1.825 -3.379 -6.215 60 H TYR 15 H TYR 15 3.045 -6.389 -2.935 61 HA TYR 15 HA TYR 15 3.248 -8.512 -4.935 62 1HB TYR 15 1HB TYR 15 4.763 -8.031 -2.745 63 HD1 TYR 15 HD1 TYR 15 4.541 -11.257 -1.890 64 HD2 TYR 15 HD2 TYR 15 5.321 -8.955 -5.382 65 HE1 TYR 15 HE1 TYR 15 5.807 -13.138 -2.840 66 HE2 TYR 15 HE2 TYR 15 6.588 -10.830 -6.342 67 HH TYR 15 HH TYR 15 6.506 -13.968 -5.031 68 H GLN 16 H GLN 16 2.427 -10.727 -3.758 69 HA GLN 16 HA GLN 16 -0.386 -10.242 -3.029 70 1HB GLN 16 1HB GLN 16 -0.958 -12.322 -4.230 71 1HG GLN 16 1HG GLN 16 1.946 -12.283 -4.988 72 1HE2 GLN 16 1HE2 GLN 16 -0.447 -14.756 -5.554 73 2HE2 GLN 16 2HE2 GLN 16 -0.321 -14.760 -7.276 74 H GLU 17 H GLU 17 -1.328 -12.465 -2.148 75 HA GLU 17 HA GLU 17 0.297 -14.263 -0.771 76 1HB GLU 17 1HB GLU 17 -0.223 -13.319 1.590 77 1HG GLU 17 1HG GLU 17 -0.191 -10.923 1.770 78 H LYS 18 H LYS 18 -0.898 -15.678 0.644 79 HA LYS 18 HA LYS 18 -3.691 -15.826 -0.119 80 1HB LYS 18 1HB LYS 18 -1.709 -17.671 1.114 81 1HG LYS 18 1HG LYS 18 -2.206 -17.787 -1.289 82 1HD LYS 18 1HD LYS 18 -4.578 -19.096 -1.515 83 1HE LYS 18 1HE LYS 18 -3.627 -16.361 -2.042 84 1HZ LYS 18 1HZ LYS 18 -6.453 -16.969 -1.646 85 2HZ LYS 18 2HZ LYS 18 -6.045 -16.053 -3.008 86 3HZ LYS 18 3HZ LYS 18 -5.626 -15.506 -1.464 87 H SER 19 H SER 19 -1.772 -15.354 2.799 88 HA SER 19 HA SER 19 -3.727 -13.842 4.108 89 1HB SER 19 1HB SER 19 -5.116 -15.627 4.571 90 HG SER 19 HG SER 19 -3.283 -16.045 6.680 91 HA PRO 20 HA PRO 20 -0.268 -14.894 7.313 92 1HB PRO 20 1HB PRO 20 1.574 -16.772 6.608 93 1HG PRO 20 1HG PRO 20 0.677 -17.425 4.569 94 1HD PRO 20 1HD PRO 20 -1.496 -16.926 3.971 95 H ARG 21 H ARG 21 2.199 -14.573 7.366 96 HA ARG 21 HA ARG 21 4.002 -13.339 6.731 97 1HB ARG 21 1HB ARG 21 3.258 -13.973 3.879 98 1HG ARG 21 1HG ARG 21 3.181 -16.085 5.054 99 1HD ARG 21 1HD ARG 21 4.665 -15.225 6.959 100 HE ARG 21 HE ARG 21 6.669 -15.395 4.982 101 1HH1 ARG 21 1HH1 ARG 21 6.087 -16.175 8.333 102 2HH1 ARG 21 2HH1 ARG 21 7.754 -16.043 8.784 103 1HH2 ARG 21 1HH2 ARG 21 8.863 -15.222 5.573 104 2HH2 ARG 21 2HH2 ARG 21 9.330 -15.501 7.217 105 H GLU 22 H GLU 22 1.477 -12.023 7.066 106 HA GLU 22 HA GLU 22 0.562 -9.954 6.824 107 1HB GLU 22 1HB GLU 22 2.991 -9.172 5.221 108 1HG GLU 22 1HG GLU 22 3.902 -10.217 7.175 109 H VAL 23 H VAL 23 -1.083 -9.466 5.541 110 HA VAL 23 HA VAL 23 -1.480 -10.592 3.023 111 HB VAL 23 HB VAL 23 -3.356 -8.990 2.774 112 1HG1 VAL 23 1HG1 VAL 23 -4.180 -10.781 3.882 113 2HG1 VAL 23 2HG1 VAL 23 -4.317 -9.617 5.199 114 3HG1 VAL 23 3HG1 VAL 23 -2.940 -10.716 5.134 115 1HG2 VAL 23 1HG2 VAL 23 -2.105 -7.784 5.224 116 2HG2 VAL 23 2HG2 VAL 23 -3.807 -7.547 4.830 117 3HG2 VAL 23 3HG2 VAL 23 -2.557 -6.993 3.715 118 H THR 24 H THR 24 -2.201 -8.978 1.129 119 HA THR 24 HA THR 24 -0.656 -6.651 0.697 120 HB THR 24 HB THR 24 0.287 -8.701 -1.217 121 HG1 THR 24 HG1 THR 24 1.718 -9.624 0.149 122 1HG2 THR 24 1HG2 THR 24 1.485 -6.865 -1.659 123 2HG2 THR 24 2HG2 THR 24 2.487 -7.431 -0.322 124 3HG2 THR 24 3HG2 THR 24 1.258 -6.197 -0.043 125 H MET 25 H MET 25 -0.448 -6.676 -2.071 126 HA MET 25 HA MET 25 -2.667 -7.698 -3.443 127 1HB MET 25 1HB MET 25 -3.976 -5.586 -3.705 128 1HG MET 25 1HG MET 25 -3.604 -4.197 -1.416 129 1HE MET 25 1HE MET 25 -3.913 -1.141 -2.563 130 2HE MET 25 2HE MET 25 -2.150 -1.072 -2.551 131 3HE MET 25 3HE MET 25 -3.003 -2.022 -1.334 132 H LYS 26 H LYS 26 -1.863 -7.819 -5.425 133 HA LYS 26 HA LYS 26 0.347 -6.383 -6.345 134 1HB LYS 26 1HB LYS 26 -1.404 -8.411 -7.348 135 1HG LYS 26 1HG LYS 26 0.984 -8.728 -7.157 136 1HD LYS 26 1HD LYS 26 1.336 -6.227 -8.020 137 1HE LYS 26 1HE LYS 26 1.702 -7.972 -10.446 138 1HZ LYS 26 1HZ LYS 26 3.618 -6.573 -10.269 139 2HZ LYS 26 2HZ LYS 26 2.669 -5.211 -9.945 140 3HZ LYS 26 3HZ LYS 26 2.610 -5.938 -11.471 141 H LYS 27 H LYS 27 -0.256 -5.474 -8.891 142 HA LYS 27 HA LYS 27 -0.926 -3.630 -10.040 143 1HB LYS 27 1HB LYS 27 -3.237 -3.573 -8.091 144 1HG LYS 27 1HG LYS 27 -2.916 -5.714 -9.480 145 1HD LYS 27 1HD LYS 27 -4.319 -4.361 -11.679 146 1HE LYS 27 1HE LYS 27 -2.123 -6.420 -11.516 147 1HZ LYS 27 1HZ LYS 27 -2.333 -6.733 -13.794 148 2HZ LYS 27 2HZ LYS 27 -2.309 -5.049 -13.642 149 3HZ LYS 27 3HZ LYS 27 -3.776 -5.852 -13.896 150 H GLY 28 H GLY 28 -0.820 -1.343 -9.969 151 1HA GLY 28 1HA GLY 28 0.453 -0.361 -7.525 152 2HA GLY 28 2HA GLY 28 0.498 0.414 -9.102 153 H ASP 29 H ASP 29 -2.336 -0.724 -7.308 154 HA ASP 29 HA ASP 29 -3.870 1.551 -7.822 155 1HB ASP 29 1HB ASP 29 -4.429 -0.870 -6.799 156 H ILE 30 H ILE 30 -4.926 2.662 -5.675 157 HA ILE 30 HA ILE 30 -2.643 4.005 -4.405 158 HB ILE 30 HB ILE 30 -5.326 5.194 -4.081 159 1HG1 ILE 30 1HG1 ILE 30 -5.447 4.423 -6.421 160 1HG2 ILE 30 1HG2 ILE 30 -3.662 7.127 -4.996 161 2HG2 ILE 30 2HG2 ILE 30 -2.511 6.008 -4.265 162 3HG2 ILE 30 3HG2 ILE 30 -3.829 6.674 -3.300 163 1HD1 ILE 30 1HD1 ILE 30 -3.652 6.108 -7.735 164 2HD1 ILE 30 2HD1 ILE 30 -3.649 4.345 -7.700 165 3HD1 ILE 30 3HD1 ILE 30 -2.708 5.253 -6.516 166 H LEU 31 H LEU 31 -3.500 5.074 -2.194 167 HA LEU 31 HA LEU 31 -5.045 3.184 -0.622 168 1HB LEU 31 1HB LEU 31 -2.362 3.887 0.463 169 HG LEU 31 HG LEU 31 -2.821 1.671 -1.521 170 1HD1 LEU 31 1HD1 LEU 31 -1.578 2.902 -2.881 171 2HD1 LEU 31 2HD1 LEU 31 -0.291 2.990 -1.680 172 3HD1 LEU 31 3HD1 LEU 31 -1.579 4.194 -1.682 173 1HD2 LEU 31 1HD2 LEU 31 -0.501 1.931 0.381 174 2HD2 LEU 31 2HD2 LEU 31 -0.783 0.649 -0.796 175 3HD2 LEU 31 3HD2 LEU 31 -1.844 0.809 0.603 176 H THR 32 H THR 32 -4.114 4.197 1.915 177 HA THR 32 HA THR 32 -4.872 7.037 1.751 178 HB THR 32 HB THR 32 -6.848 5.718 2.383 179 HG1 THR 32 HG1 THR 32 -7.172 7.484 3.460 180 1HG2 THR 32 1HG2 THR 32 -5.522 3.886 3.527 181 2HG2 THR 32 2HG2 THR 32 -7.008 4.418 4.318 182 3HG2 THR 32 3HG2 THR 32 -5.442 4.966 4.919 183 H LEU 33 H LEU 33 -3.706 4.531 4.015 184 HA LEU 33 HA LEU 33 -2.082 4.551 5.599 185 1HB LEU 33 1HB LEU 33 -1.044 6.932 4.067 186 HG LEU 33 HG LEU 33 0.602 5.277 3.124 187 1HD1 LEU 33 1HD1 LEU 33 -1.348 3.098 3.546 188 2HD1 LEU 33 2HD1 LEU 33 -0.332 3.538 4.919 189 3HD1 LEU 33 3HD1 LEU 33 0.408 3.043 3.397 190 1HD2 LEU 33 1HD2 LEU 33 -2.216 4.688 2.268 191 2HD2 LEU 33 2HD2 LEU 33 -0.753 4.725 1.286 192 3HD2 LEU 33 3HD2 LEU 33 -1.422 6.226 1.928 193 H LEU 34 H LEU 34 -1.880 5.306 7.643 194 HA LEU 34 HA LEU 34 -3.671 7.318 8.528 195 1HB LEU 34 1HB LEU 34 -1.662 5.533 9.775 196 HG LEU 34 HG LEU 34 -4.518 6.253 10.405 197 1HD1 LEU 34 1HD1 LEU 34 -5.047 4.103 9.752 198 2HD1 LEU 34 2HD1 LEU 34 -3.403 3.512 9.990 199 3HD1 LEU 34 3HD1 LEU 34 -3.779 4.537 8.606 200 1HD2 LEU 34 1HD2 LEU 34 -2.741 4.426 12.012 201 2HD2 LEU 34 2HD2 LEU 34 -4.419 4.858 12.345 202 3HD2 LEU 34 3HD2 LEU 34 -3.149 6.075 12.484 203 H ASN 35 H ASN 35 -0.179 7.241 9.195 204 HA ASN 35 HA ASN 35 0.179 9.911 8.147 205 1HB ASN 35 1HB ASN 35 0.969 10.874 10.265 206 1HD2 ASN 35 1HD2 ASN 35 -1.256 8.553 11.599 207 2HD2 ASN 35 2HD2 ASN 35 -0.185 7.918 12.797 208 H SER 36 H SER 36 1.247 7.246 7.659 209 HA SER 36 HA SER 36 3.870 7.045 8.746 210 1HB SER 36 1HB SER 36 2.363 5.681 6.554 211 HG SER 36 HG SER 36 2.278 4.239 8.062 212 H THR 37 H THR 37 5.817 7.705 7.958 213 HA THR 37 HA THR 37 6.127 8.796 5.324 214 HB THR 37 HB THR 37 6.363 10.688 7.673 215 HG1 THR 37 HG1 THR 37 4.436 10.547 5.599 216 1HG2 THR 37 1HG2 THR 37 7.632 11.913 6.341 217 2HG2 THR 37 2HG2 THR 37 6.220 12.132 5.310 218 3HG2 THR 37 3HG2 THR 37 7.361 10.830 4.976 219 H ASN 38 H ASN 38 7.586 6.877 5.748 220 HA ASN 38 HA ASN 38 10.243 7.868 6.250 221 1HB ASN 38 1HB ASN 38 8.831 6.171 8.222 222 1HD2 ASN 38 1HD2 ASN 38 11.881 7.868 7.573 223 2HD2 ASN 38 2HD2 ASN 38 11.828 8.853 8.992 224 H LYS 39 H LYS 39 11.738 5.679 6.290 225 HA LYS 39 HA LYS 39 11.476 4.642 3.661 226 1HB LYS 39 1HB LYS 39 13.473 3.363 4.156 227 1HG LYS 39 1HG LYS 39 12.871 4.030 7.017 228 1HD LYS 39 1HD LYS 39 15.425 2.711 6.355 229 1HE LYS 39 1HE LYS 39 14.240 4.374 8.476 230 1HZ LYS 39 1HZ LYS 39 16.236 5.648 7.563 231 2HZ LYS 39 2HZ LYS 39 17.180 4.396 8.197 232 3HZ LYS 39 3HZ LYS 39 16.206 5.322 9.223 233 H ASP 40 H ASP 40 12.105 2.022 3.716 234 HA ASP 40 HA ASP 40 11.052 0.007 3.605 235 1HB ASP 40 1HB ASP 40 10.559 -1.004 5.766 236 H TRP 41 H TRP 41 8.932 -1.208 4.612 237 HA TRP 41 HA TRP 41 6.763 0.041 3.279 238 1HB TRP 41 1HB TRP 41 5.712 -1.968 3.469 239 HD1 TRP 41 HD1 TRP 41 4.083 -3.231 4.963 240 HE1 TRP 41 HE1 TRP 41 3.945 -3.826 7.463 241 HE3 TRP 41 HE3 TRP 41 8.593 -1.368 6.498 242 HZ2 TRP 41 HZ2 TRP 41 5.533 -3.545 9.777 243 HZ3 TRP 41 HZ3 TRP 41 9.206 -1.572 8.871 244 HH2 TRP 41 HH2 TRP 41 7.706 -2.637 10.477 245 H TRP 42 H TRP 42 4.523 -0.327 4.739 246 HA TRP 42 HA TRP 42 4.676 0.748 7.373 247 1HB TRP 42 1HB TRP 42 4.208 2.591 5.076 248 HD1 TRP 42 HD1 TRP 42 6.054 4.364 5.114 249 HE1 TRP 42 HE1 TRP 42 7.784 5.186 6.834 250 HE3 TRP 42 HE3 TRP 42 4.533 1.634 9.160 251 HZ2 TRP 42 HZ2 TRP 42 8.419 4.735 9.548 252 HZ3 TRP 42 HZ3 TRP 42 5.757 1.887 11.280 253 HH2 TRP 42 HH2 TRP 42 7.659 3.405 11.468 254 H LYS 43 H LYS 43 2.607 0.932 8.385 255 HA LYS 43 HA LYS 43 0.755 -1.020 7.557 256 1HB LYS 43 1HB LYS 43 1.213 -0.029 9.915 257 1HG LYS 43 1HG LYS 43 -1.366 -0.982 8.826 258 1HD LYS 43 1HD LYS 43 -1.080 0.587 11.332 259 1HE LYS 43 1HE LYS 43 -2.990 -0.641 12.318 260 1HZ LYS 43 1HZ LYS 43 -0.996 -2.731 12.037 261 2HZ LYS 43 2HZ LYS 43 -1.640 -2.028 13.434 262 3HZ LYS 43 3HZ LYS 43 -0.414 -1.237 12.578 263 H VAL 44 H VAL 44 -0.557 -0.875 5.863 264 HA VAL 44 HA VAL 44 -1.619 1.757 5.109 265 HB VAL 44 HB VAL 44 -2.082 0.847 2.925 266 1HG1 VAL 44 1HG1 VAL 44 0.472 1.147 4.002 267 2HG1 VAL 44 2HG1 VAL 44 0.023 1.183 2.297 268 3HG1 VAL 44 3HG1 VAL 44 0.550 -0.327 3.038 269 1HG2 VAL 44 1HG2 VAL 44 -2.742 -1.418 3.663 270 2HG2 VAL 44 2HG2 VAL 44 -1.042 -1.798 3.937 271 3HG2 VAL 44 3HG2 VAL 44 -1.615 -1.442 2.308 272 H GLU 45 H GLU 45 -3.850 1.226 3.759 273 HA GLU 45 HA GLU 45 -5.608 -0.665 4.859 274 1HB GLU 45 1HB GLU 45 -7.020 0.779 6.252 275 1HG GLU 45 1HG GLU 45 -4.991 2.842 5.554 276 H VAL 46 H VAL 46 -6.252 -0.889 2.741 277 HA VAL 46 HA VAL 46 -7.925 1.296 1.707 278 HB VAL 46 HB VAL 46 -5.818 1.284 0.448 279 1HG1 VAL 46 1HG1 VAL 46 -6.519 -1.429 -0.616 280 2HG1 VAL 46 2HG1 VAL 46 -5.506 -1.240 0.816 281 3HG1 VAL 46 3HG1 VAL 46 -4.992 -0.553 -0.725 282 1HG2 VAL 46 1HG2 VAL 46 -8.260 0.348 -1.047 283 2HG2 VAL 46 2HG2 VAL 46 -6.813 0.980 -1.833 284 3HG2 VAL 46 3HG2 VAL 46 -7.749 2.009 -0.747 285 H ASN 47 H ASN 47 -7.146 -2.163 1.512 286 HA ASN 47 HA ASN 47 -9.917 -2.682 0.671 287 1HB ASN 47 1HB ASN 47 -9.116 -4.843 -0.147 288 1HD2 ASN 47 1HD2 ASN 47 -8.062 -6.445 0.795 289 2HD2 ASN 47 2HD2 ASN 47 -6.388 -6.434 1.221 290 H ASP 48 H ASP 48 -10.282 -5.252 1.385 291 HA ASP 48 HA ASP 48 -11.005 -5.117 4.072 292 1HB ASP 48 1HB ASP 48 -10.586 -7.503 2.264 293 H ARG 49 H ARG 49 -8.670 -7.522 2.886 294 HA ARG 49 HA ARG 49 -7.368 -7.581 5.456 295 1HB ARG 49 1HB ARG 49 -7.336 -9.190 2.994 296 1HG ARG 49 1HG ARG 49 -8.360 -9.963 5.103 297 1HD ARG 49 1HD ARG 49 -5.745 -10.654 6.258 298 HE ARG 49 HE ARG 49 -7.803 -9.464 7.878 299 1HH1 ARG 49 1HH1 ARG 49 -6.687 -12.404 6.364 300 2HH1 ARG 49 2HH1 ARG 49 -7.536 -13.438 7.462 301 1HH2 ARG 49 1HH2 ARG 49 -8.920 -10.824 9.323 302 2HH2 ARG 49 2HH2 ARG 49 -8.804 -12.542 9.141 303 H GLN 50 H GLN 50 -6.042 -5.966 5.978 304 HA GLN 50 HA GLN 50 -3.730 -5.442 4.347 305 1HB GLN 50 1HB GLN 50 -4.220 -2.904 4.450 306 1HG GLN 50 1HG GLN 50 -6.550 -2.282 4.225 307 1HE2 GLN 50 1HE2 GLN 50 -4.622 -1.876 6.094 308 2HE2 GLN 50 2HE2 GLN 50 -5.300 -1.977 7.678 309 H GLY 51 H GLY 51 -2.563 -3.374 5.454 310 1HA GLY 51 1HA GLY 51 -2.497 -2.363 7.797 311 2HA GLY 51 2HA GLY 51 -2.503 -4.036 8.329 312 H PHE 52 H PHE 52 -0.779 -4.241 5.616 313 HA PHE 52 HA PHE 52 1.744 -3.336 6.800 314 1HB PHE 52 1HB PHE 52 1.209 -6.115 5.730 315 HD1 PHE 52 HD1 PHE 52 3.627 -5.600 8.306 316 HD2 PHE 52 HD2 PHE 52 -0.517 -6.241 7.578 317 HE1 PHE 52 HE1 PHE 52 3.332 -6.321 10.640 318 HE2 PHE 52 HE2 PHE 52 -0.820 -6.963 9.910 319 HZ PHE 52 HZ PHE 52 1.106 -7.003 11.445 320 H VAL 53 H VAL 53 1.125 -5.361 3.953 321 HA VAL 53 HA VAL 53 1.729 -5.098 1.770 322 HB VAL 53 HB VAL 53 0.845 -2.246 2.207 323 1HG1 VAL 53 1HG1 VAL 53 1.391 -3.924 -0.180 324 2HG1 VAL 53 2HG1 VAL 53 1.658 -2.200 0.080 325 3HG1 VAL 53 3HG1 VAL 53 0.034 -2.799 -0.255 326 1HG2 VAL 53 1HG2 VAL 53 -0.928 -3.552 3.027 327 2HG2 VAL 53 2HG2 VAL 53 -0.731 -4.764 1.760 328 3HG2 VAL 53 3HG2 VAL 53 -1.374 -3.171 1.363 329 HA PRO 54 HA PRO 54 6.036 -3.756 2.600 330 1HB PRO 54 1HB PRO 54 6.156 -4.957 -0.135 331 1HG PRO 54 1HG PRO 54 5.511 -7.063 0.620 332 1HD PRO 54 1HD PRO 54 3.463 -6.022 0.677 333 H ALA 55 H ALA 55 4.786 -3.597 -0.743 334 HA ALA 55 HA ALA 55 4.705 -1.910 -2.266 335 1HB ALA 55 1HB ALA 55 4.276 0.323 -1.506 336 2HB ALA 55 2HB ALA 55 4.918 -0.049 0.095 337 3HB ALA 55 3HB ALA 55 3.418 -0.799 -0.451 338 H ALA 56 H ALA 56 7.343 -2.908 -0.991 339 HA ALA 56 HA ALA 56 9.573 -2.541 -1.210 340 1HB ALA 56 1HB ALA 56 9.586 -2.656 -3.465 341 2HB ALA 56 2HB ALA 56 10.017 -0.952 -3.330 342 3HB ALA 56 3HB ALA 56 8.346 -1.415 -3.645 343 H TYR 57 H TYR 57 8.871 0.630 -2.570 344 HA TYR 57 HA TYR 57 9.912 1.854 -0.103 345 1HB TYR 57 1HB TYR 57 11.126 3.477 -1.423 346 HD1 TYR 57 HD1 TYR 57 10.460 0.913 -4.035 347 HD2 TYR 57 HD2 TYR 57 10.356 5.035 -2.985 348 HE1 TYR 57 HE1 TYR 57 9.911 1.486 -6.363 349 HE2 TYR 57 HE2 TYR 57 9.806 5.619 -5.309 350 HH TYR 57 HH TYR 57 8.872 4.622 -7.288 351 H VAL 58 H VAL 58 7.560 1.924 -2.632 352 HA VAL 58 HA VAL 58 5.754 3.212 -3.077 353 HB VAL 58 HB VAL 58 5.202 2.354 -0.780 354 1HG1 VAL 58 1HG1 VAL 58 5.073 4.310 0.937 355 2HG1 VAL 58 2HG1 VAL 58 6.405 4.975 -0.009 356 3HG1 VAL 58 3HG1 VAL 58 6.568 3.393 0.752 357 1HG2 VAL 58 1HG2 VAL 58 3.201 3.492 -0.718 358 2HG2 VAL 58 2HG2 VAL 58 3.737 3.801 -2.369 359 3HG2 VAL 58 3HG2 VAL 58 3.943 5.038 -1.129 360 H LYS 59 H LYS 59 4.819 5.422 -3.087 361 HA LYS 59 HA LYS 59 6.873 7.328 -3.629 362 1HB LYS 59 1HB LYS 59 3.988 8.097 -3.391 363 1HG LYS 59 1HG LYS 59 3.746 6.061 -4.596 364 1HD LYS 59 1HD LYS 59 6.188 5.842 -5.174 365 1HE LYS 59 1HE LYS 59 5.412 8.031 -6.985 366 1HZ LYS 59 1HZ LYS 59 7.530 6.340 -8.030 367 2HZ LYS 59 2HZ LYS 59 6.410 7.306 -8.851 368 3HZ LYS 59 3HZ LYS 59 5.952 5.783 -8.277 369 H LYS 60 H LYS 60 4.306 7.118 -1.177 370 HA LYS 60 HA LYS 60 4.076 8.074 0.872 371 1HB LYS 60 1HB LYS 60 6.618 7.172 0.811 372 1HG LYS 60 1HG LYS 60 6.812 8.138 3.219 373 1HD LYS 60 1HD LYS 60 5.082 6.053 2.085 374 1HE LYS 60 1HE LYS 60 4.768 6.449 5.006 375 1HZ LYS 60 1HZ LYS 60 3.222 5.236 2.808 376 2HZ LYS 60 2HZ LYS 60 2.471 5.606 4.278 377 3HZ LYS 60 3HZ LYS 60 3.771 4.524 4.242 378 H LEU 61 H LEU 61 2.904 9.885 0.684 379 HA LEU 61 HA LEU 61 4.271 12.422 0.650 380 1HB LEU 61 1HB LEU 61 3.659 11.516 -1.799 381 HG LEU 61 HG LEU 61 3.438 13.850 -2.616 382 1HD1 LEU 61 1HD1 LEU 61 3.055 15.639 -1.279 383 2HD1 LEU 61 2HD1 LEU 61 3.853 14.912 0.115 384 3HD1 LEU 61 3HD1 LEU 61 2.215 14.422 -0.319 385 1HD2 LEU 61 1HD2 LEU 61 5.583 13.634 -0.518 386 2HD2 LEU 61 2HD2 LEU 61 5.637 14.517 -2.044 387 3HD2 LEU 61 3HD2 LEU 61 5.634 12.753 -2.044 388 H ASP 62 H ASP 62 3.173 13.933 1.779 389 HA ASP 62 HA ASP 62 0.723 13.115 3.075 390 1HB ASP 62 1HB ASP 62 2.532 15.510 3.363 Start of MODEL 7 1 H GLU 7 H GLU 7 -5.696 11.483 -5.038 2 HA GLU 7 HA GLU 7 -4.262 8.932 -5.292 3 1HB GLU 7 1HB GLU 7 -2.232 10.226 -5.449 4 1HG GLU 7 1HG GLU 7 -3.885 12.388 -4.369 5 H LEU 8 H LEU 8 -2.775 8.286 -3.656 6 HA LEU 8 HA LEU 8 -2.302 9.535 -1.233 7 1HB LEU 8 1HB LEU 8 -3.851 8.120 0.227 8 HG LEU 8 HG LEU 8 -5.047 7.569 -2.422 9 1HD1 LEU 8 1HD1 LEU 8 -6.017 5.696 -0.875 10 2HD1 LEU 8 2HD1 LEU 8 -4.745 6.234 0.224 11 3HD1 LEU 8 3HD1 LEU 8 -4.330 5.652 -1.388 12 1HD2 LEU 8 1HD2 LEU 8 -7.318 7.529 -1.551 13 2HD2 LEU 8 2HD2 LEU 8 -6.655 9.163 -1.483 14 3HD2 LEU 8 3HD2 LEU 8 -6.756 8.189 -0.015 15 H VAL 9 H VAL 9 -0.537 8.264 -2.530 16 HA VAL 9 HA VAL 9 1.102 6.687 -2.343 17 HB VAL 9 HB VAL 9 -0.477 5.389 -0.127 18 1HG1 VAL 9 1HG1 VAL 9 2.365 5.301 -1.056 19 2HG1 VAL 9 2HG1 VAL 9 1.274 3.972 -0.664 20 3HG1 VAL 9 3HG1 VAL 9 1.967 4.955 0.626 21 1HG2 VAL 9 1HG2 VAL 9 -0.341 7.459 0.810 22 2HG2 VAL 9 2HG2 VAL 9 1.070 7.921 -0.143 23 3HG2 VAL 9 3HG2 VAL 9 1.256 6.853 1.250 24 H LEU 10 H LEU 10 1.508 4.390 -2.774 25 HA LEU 10 HA LEU 10 -0.802 2.828 -3.624 26 1HB LEU 10 1HB LEU 10 1.198 2.571 -5.660 27 HG LEU 10 HG LEU 10 0.392 5.397 -5.090 28 1HD1 LEU 10 1HD1 LEU 10 2.634 4.839 -4.533 29 2HD1 LEU 10 2HD1 LEU 10 2.684 5.774 -6.028 30 3HD1 LEU 10 3HD1 LEU 10 2.879 4.021 -6.076 31 1HD2 LEU 10 1HD2 LEU 10 0.433 4.036 -7.727 32 2HD2 LEU 10 2HD2 LEU 10 1.145 5.647 -7.620 33 3HD2 LEU 10 3HD2 LEU 10 -0.541 5.396 -7.167 34 H ALA 11 H ALA 11 0.605 0.819 -4.964 35 HA ALA 11 HA ALA 11 2.613 -0.100 -3.034 36 1HB ALA 11 1HB ALA 11 0.754 -1.203 -2.170 37 2HB ALA 11 2HB ALA 11 1.483 -2.406 -3.233 38 3HB ALA 11 3HB ALA 11 0.067 -1.501 -3.767 39 H LEU 12 H LEU 12 2.326 0.787 -6.007 40 HA LEU 12 HA LEU 12 3.414 0.341 -7.953 41 1HB LEU 12 1HB LEU 12 4.818 -1.851 -6.422 42 HG LEU 12 HG LEU 12 6.737 -0.104 -6.426 43 1HD1 LEU 12 1HD1 LEU 12 4.507 1.865 -6.159 44 2HD1 LEU 12 2HD1 LEU 12 5.197 1.511 -7.743 45 3HD1 LEU 12 3HD1 LEU 12 6.223 2.146 -6.457 46 1HD2 LEU 12 1HD2 LEU 12 4.793 0.711 -4.388 47 2HD2 LEU 12 2HD2 LEU 12 6.412 0.036 -4.211 48 3HD2 LEU 12 3HD2 LEU 12 5.044 -1.030 -4.519 49 H TYR 13 H TYR 13 3.100 -2.874 -6.455 50 HA TYR 13 HA TYR 13 1.041 -3.646 -8.319 51 1HB TYR 13 1HB TYR 13 2.292 -5.557 -9.245 52 HD1 TYR 13 HD1 TYR 13 3.645 -7.253 -8.448 53 HD2 TYR 13 HD2 TYR 13 4.943 -3.222 -8.030 54 HE1 TYR 13 HE1 TYR 13 5.787 -8.043 -7.538 55 HE2 TYR 13 HE2 TYR 13 7.089 -4.002 -7.117 56 HH TYR 13 HH TYR 13 7.645 -6.792 -5.852 57 H ASP 14 H ASP 14 0.460 -6.029 -7.941 58 HA ASP 14 HA ASP 14 -0.351 -6.458 -5.366 59 1HB ASP 14 1HB ASP 14 -0.671 -8.810 -5.965 60 H TYR 15 H TYR 15 0.327 -8.049 -3.747 61 HA TYR 15 HA TYR 15 3.265 -8.248 -3.597 62 1HB TYR 15 1HB TYR 15 2.156 -6.730 -1.921 63 HD1 TYR 15 HD1 TYR 15 4.858 -7.732 -2.463 64 HD2 TYR 15 HD2 TYR 15 2.295 -8.456 0.855 65 HE1 TYR 15 HE1 TYR 15 6.822 -8.165 -1.048 66 HE2 TYR 15 HE2 TYR 15 4.252 -8.890 2.279 67 HH TYR 15 HH TYR 15 7.084 -7.967 1.845 68 H GLN 16 H GLN 16 0.214 -9.894 -3.021 69 HA GLN 16 HA GLN 16 -0.322 -12.091 -2.842 70 1HB GLN 16 1HB GLN 16 0.720 -13.413 -4.325 71 1HG GLN 16 1HG GLN 16 3.245 -12.886 -2.807 72 1HE2 GLN 16 1HE2 GLN 16 4.117 -15.536 -3.725 73 2HE2 GLN 16 2HE2 GLN 16 4.797 -15.286 -5.293 74 H GLU 17 H GLU 17 -0.307 -13.685 -1.287 75 HA GLU 17 HA GLU 17 0.846 -13.081 1.188 76 1HB GLU 17 1HB GLU 17 0.098 -15.334 1.875 77 1HG GLU 17 1HG GLU 17 -0.266 -15.703 -1.065 78 H LYS 18 H LYS 18 2.943 -13.098 1.650 79 HA LYS 18 HA LYS 18 4.514 -15.467 0.957 80 1HB LYS 18 1HB LYS 18 5.044 -12.676 0.077 81 1HG LYS 18 1HG LYS 18 6.178 -15.144 -1.155 82 1HD LYS 18 1HD LYS 18 5.798 -13.852 -3.215 83 1HE LYS 18 1HE LYS 18 7.245 -11.758 -2.304 84 1HZ LYS 18 1HZ LYS 18 8.999 -12.858 -3.168 85 2HZ LYS 18 2HZ LYS 18 7.795 -13.903 -3.732 86 3HZ LYS 18 3HZ LYS 18 8.671 -14.296 -2.340 87 H SER 19 H SER 19 5.477 -12.325 2.292 88 HA SER 19 HA SER 19 6.806 -13.583 4.492 89 1HB SER 19 1HB SER 19 6.680 -10.885 5.110 90 HG SER 19 HG SER 19 6.664 -9.762 3.287 91 HA PRO 20 HA PRO 20 3.388 -11.527 7.193 92 1HB PRO 20 1HB PRO 20 1.283 -10.355 5.946 93 1HG PRO 20 1HG PRO 20 1.918 -10.684 3.736 94 1HD PRO 20 1HD PRO 20 4.076 -11.251 3.160 95 H ARG 21 H ARG 21 1.042 -12.049 7.718 96 HA ARG 21 HA ARG 21 0.540 -14.754 7.193 97 1HB ARG 21 1HB ARG 21 -1.256 -12.582 8.279 98 1HG ARG 21 1HG ARG 21 0.677 -14.445 9.478 99 1HD ARG 21 1HD ARG 21 -1.508 -13.770 11.308 100 HE ARG 21 HE ARG 21 -0.706 -16.470 11.271 101 1HH1 ARG 21 1HH1 ARG 21 0.547 -13.285 11.958 102 2HH1 ARG 21 2HH1 ARG 21 1.722 -13.857 13.095 103 1HH2 ARG 21 1HH2 ARG 21 0.836 -17.222 12.768 104 2HH2 ARG 21 2HH2 ARG 21 1.887 -16.092 13.554 105 H GLU 22 H GLU 22 -1.197 -11.872 6.013 106 HA GLU 22 HA GLU 22 -1.685 -13.146 3.474 107 1HB GLU 22 1HB GLU 22 -3.936 -12.619 5.411 108 1HG GLU 22 1HG GLU 22 -3.121 -14.868 5.535 109 H VAL 23 H VAL 23 -2.060 -11.690 1.860 110 HA VAL 23 HA VAL 23 -2.831 -8.964 2.468 111 HB VAL 23 HB VAL 23 -0.175 -9.473 1.121 112 1HG1 VAL 23 1HG1 VAL 23 -1.144 -6.851 2.190 113 2HG1 VAL 23 2HG1 VAL 23 -1.631 -7.401 0.586 114 3HG1 VAL 23 3HG1 VAL 23 0.077 -7.173 0.959 115 1HG2 VAL 23 1HG2 VAL 23 0.042 -10.046 3.448 116 2HG2 VAL 23 2HG2 VAL 23 -0.772 -8.557 3.931 117 3HG2 VAL 23 3HG2 VAL 23 0.816 -8.486 3.169 118 H THR 24 H THR 24 -1.507 -11.132 -0.021 119 HA THR 24 HA THR 24 -2.103 -11.532 -2.176 120 HB THR 24 HB THR 24 -4.698 -10.246 -1.301 121 HG1 THR 24 HG1 THR 24 -3.772 -12.912 -1.385 122 1HG2 THR 24 1HG2 THR 24 -3.885 -11.408 -3.879 123 2HG2 THR 24 2HG2 THR 24 -5.145 -10.231 -3.503 124 3HG2 THR 24 3HG2 THR 24 -5.434 -11.950 -3.232 125 H MET 25 H MET 25 -3.983 -8.543 -1.836 126 HA MET 25 HA MET 25 -3.847 -6.529 -2.881 127 1HB MET 25 1HB MET 25 -1.019 -7.317 -2.489 128 1HG MET 25 1HG MET 25 -2.860 -5.322 -1.492 129 1HE MET 25 1HE MET 25 -1.875 -2.370 -3.573 130 2HE MET 25 2HE MET 25 -2.928 -3.775 -3.414 131 3HE MET 25 3HE MET 25 -1.462 -3.878 -4.387 132 H LYS 26 H LYS 26 -3.858 -5.595 -4.958 133 HA LYS 26 HA LYS 26 -3.031 -7.302 -7.188 134 1HB LYS 26 1HB LYS 26 -5.809 -6.503 -6.505 135 1HG LYS 26 1HG LYS 26 -5.194 -8.847 -6.392 136 1HD LYS 26 1HD LYS 26 -4.995 -9.463 -9.169 137 1HE LYS 26 1HE LYS 26 -2.567 -10.066 -8.133 138 1HZ LYS 26 1HZ LYS 26 -3.351 -12.184 -8.002 139 2HZ LYS 26 2HZ LYS 26 -4.588 -11.498 -8.930 140 3HZ LYS 26 3HZ LYS 26 -4.811 -11.737 -7.270 141 H LYS 27 H LYS 27 -1.546 -5.997 -8.085 142 HA LYS 27 HA LYS 27 -0.629 -4.231 -9.185 143 1HB LYS 27 1HB LYS 27 -3.419 -3.143 -9.523 144 1HG LYS 27 1HG LYS 27 -2.092 -5.300 -11.152 145 1HD LYS 27 1HD LYS 27 -4.609 -5.031 -12.130 146 1HE LYS 27 1HE LYS 27 -3.314 -3.444 -13.852 147 1HZ LYS 27 1HZ LYS 27 -3.140 -6.343 -13.407 148 2HZ LYS 27 2HZ LYS 27 -2.216 -5.639 -14.637 149 3HZ LYS 27 3HZ LYS 27 -3.901 -5.494 -14.657 150 H GLY 28 H GLY 28 0.009 -2.041 -8.895 151 1HA GLY 28 1HA GLY 28 -0.100 -1.133 -6.231 152 2HA GLY 28 2HA GLY 28 0.504 -0.209 -7.599 153 H ASP 29 H ASP 29 -1.007 1.034 -8.847 154 HA ASP 29 HA ASP 29 -2.612 2.640 -8.978 155 1HB ASP 29 1HB ASP 29 -4.165 0.284 -7.921 156 H ILE 30 H ILE 30 -4.200 1.280 -6.147 157 HA ILE 30 HA ILE 30 -3.100 3.351 -4.421 158 HB ILE 30 HB ILE 30 -6.032 3.189 -4.208 159 1HG1 ILE 30 1HG1 ILE 30 -5.587 3.231 -6.723 160 1HG2 ILE 30 1HG2 ILE 30 -3.856 5.040 -3.660 161 2HG2 ILE 30 2HG2 ILE 30 -5.425 4.865 -2.875 162 3HG2 ILE 30 3HG2 ILE 30 -5.278 5.829 -4.344 163 1HD1 ILE 30 1HD1 ILE 30 -3.848 5.330 -6.061 164 2HD1 ILE 30 2HD1 ILE 30 -5.227 6.054 -6.890 165 3HD1 ILE 30 3HD1 ILE 30 -4.311 4.763 -7.666 166 H LEU 31 H LEU 31 -4.638 3.140 -2.241 167 HA LEU 31 HA LEU 31 -5.361 0.465 -1.583 168 1HB LEU 31 1HB LEU 31 -3.452 0.714 0.368 169 HG LEU 31 HG LEU 31 -2.076 1.435 -2.223 170 1HD1 LEU 31 1HD1 LEU 31 -1.682 3.549 -1.455 171 2HD1 LEU 31 2HD1 LEU 31 -1.869 3.093 0.236 172 3HD1 LEU 31 3HD1 LEU 31 -3.290 3.274 -0.791 173 1HD2 LEU 31 1HD2 LEU 31 -0.371 0.332 -1.311 174 2HD2 LEU 31 2HD2 LEU 31 -1.203 0.163 0.233 175 3HD2 LEU 31 3HD2 LEU 31 -0.289 1.629 -0.120 176 H THR 32 H THR 32 -3.841 2.410 0.894 177 HA THR 32 HA THR 32 -6.077 4.007 1.545 178 HB THR 32 HB THR 32 -5.722 1.441 3.092 179 HG1 THR 32 HG1 THR 32 -7.903 1.211 2.624 180 1HG2 THR 32 1HG2 THR 32 -6.171 2.585 4.953 181 2HG2 THR 32 2HG2 THR 32 -7.806 2.704 4.303 182 3HG2 THR 32 3HG2 THR 32 -6.665 4.027 4.065 183 H LEU 33 H LEU 33 -4.358 2.422 4.140 184 HA LEU 33 HA LEU 33 -1.995 3.659 4.415 185 1HB LEU 33 1HB LEU 33 -4.174 5.607 4.774 186 HG LEU 33 HG LEU 33 -1.939 5.653 3.274 187 1HD1 LEU 33 1HD1 LEU 33 -2.235 8.242 3.452 188 2HD1 LEU 33 2HD1 LEU 33 -3.625 7.813 4.451 189 3HD1 LEU 33 3HD1 LEU 33 -3.526 7.242 2.784 190 1HD2 LEU 33 1HD2 LEU 33 -0.374 5.703 5.075 191 2HD2 LEU 33 2HD2 LEU 33 -1.241 7.022 5.863 192 3HD2 LEU 33 3HD2 LEU 33 -0.399 7.306 4.340 193 H LEU 34 H LEU 34 -4.852 3.965 6.528 194 HA LEU 34 HA LEU 34 -5.343 3.091 8.569 195 1HB LEU 34 1HB LEU 34 -3.900 1.007 7.182 196 HG LEU 34 HG LEU 34 -5.946 0.734 9.386 197 1HD1 LEU 34 1HD1 LEU 34 -7.098 1.983 7.825 198 2HD1 LEU 34 2HD1 LEU 34 -7.442 0.335 7.301 199 3HD1 LEU 34 3HD1 LEU 34 -6.218 1.288 6.463 200 1HD2 LEU 34 1HD2 LEU 34 -6.393 -1.419 8.110 201 2HD2 LEU 34 2HD2 LEU 34 -4.910 -1.351 9.062 202 3HD2 LEU 34 3HD2 LEU 34 -4.845 -1.140 7.313 203 H ASN 35 H ASN 35 -3.883 1.975 10.577 204 HA ASN 35 HA ASN 35 -2.574 4.153 11.714 205 1HB ASN 35 1HB ASN 35 -2.624 1.220 12.351 206 1HD2 ASN 35 1HD2 ASN 35 -2.461 2.853 15.111 207 2HD2 ASN 35 2HD2 ASN 35 -4.134 3.180 15.393 208 H SER 36 H SER 36 -0.612 4.994 11.469 209 HA SER 36 HA SER 36 1.699 3.389 10.907 210 1HB SER 36 1HB SER 36 0.443 5.056 8.750 211 HG SER 36 HG SER 36 1.781 2.557 8.840 212 H THR 37 H THR 37 0.319 6.658 10.909 213 HA THR 37 HA THR 37 1.080 8.647 11.712 214 HB THR 37 HB THR 37 2.094 8.637 13.848 215 HG1 THR 37 HG1 THR 37 3.732 7.405 14.193 216 1HG2 THR 37 1HG2 THR 37 -0.016 6.874 13.356 217 2HG2 THR 37 2HG2 THR 37 0.448 7.603 14.893 218 3HG2 THR 37 3HG2 THR 37 1.087 6.024 14.437 219 H ASN 38 H ASN 38 2.511 7.420 9.499 220 HA ASN 38 HA ASN 38 4.640 9.225 9.256 221 1HB ASN 38 1HB ASN 38 5.304 6.627 10.471 222 1HD2 ASN 38 1HD2 ASN 38 6.090 7.223 12.342 223 2HD2 ASN 38 2HD2 ASN 38 7.063 8.616 12.647 224 H LYS 39 H LYS 39 6.268 8.171 7.432 225 HA LYS 39 HA LYS 39 4.447 7.188 5.334 226 1HB LYS 39 1HB LYS 39 5.408 9.521 5.077 227 1HG LYS 39 1HG LYS 39 4.893 7.673 3.145 228 1HD LYS 39 1HD LYS 39 7.272 7.097 2.943 229 1HE LYS 39 1HE LYS 39 8.419 9.215 1.629 230 1HZ LYS 39 1HZ LYS 39 8.703 7.991 4.245 231 2HZ LYS 39 2HZ LYS 39 9.404 9.521 4.078 232 3HZ LYS 39 3HZ LYS 39 9.863 8.264 3.044 233 H ASP 40 H ASP 40 4.865 4.999 5.831 234 HA ASP 40 HA ASP 40 6.935 3.813 4.361 235 1HB ASP 40 1HB ASP 40 8.345 4.669 6.213 236 H TRP 41 H TRP 41 4.450 3.212 4.129 237 HA TRP 41 HA TRP 41 2.756 1.704 4.377 238 1HB TRP 41 1HB TRP 41 3.929 -0.735 4.699 239 HD1 TRP 41 HD1 TRP 41 6.034 1.778 2.608 240 HE1 TRP 41 HE1 TRP 41 8.511 1.119 2.852 241 HE3 TRP 41 HE3 TRP 41 5.517 -2.150 5.843 242 HZ2 TRP 41 HZ2 TRP 41 10.041 -0.811 4.231 243 HZ3 TRP 41 HZ3 TRP 41 7.537 -3.349 6.574 244 HH2 TRP 41 HH2 TRP 41 9.752 -2.693 5.782 245 H TRP 42 H TRP 42 4.859 -0.227 6.440 246 HA TRP 42 HA TRP 42 4.708 -0.874 8.612 247 1HB TRP 42 1HB TRP 42 3.760 1.871 8.629 248 HD1 TRP 42 HD1 TRP 42 5.030 -0.749 11.215 249 HE1 TRP 42 HE1 TRP 42 7.154 0.203 12.311 250 HE3 TRP 42 HE3 TRP 42 5.292 3.715 8.736 251 HZ2 TRP 42 HZ2 TRP 42 8.732 2.538 12.149 252 HZ3 TRP 42 HZ3 TRP 42 7.140 5.250 9.266 253 HH2 TRP 42 HH2 TRP 42 8.823 4.673 10.938 254 H LYS 43 H LYS 43 1.493 0.605 8.191 255 HA LYS 43 HA LYS 43 0.303 -2.071 8.265 256 1HB LYS 43 1HB LYS 43 0.394 -0.619 10.537 257 1HG LYS 43 1HG LYS 43 -2.104 -2.133 9.849 258 1HD LYS 43 1HD LYS 43 -1.404 -2.932 12.297 259 1HE LYS 43 1HE LYS 43 -2.969 -0.529 11.434 260 1HZ LYS 43 1HZ LYS 43 -1.993 -0.387 13.814 261 2HZ LYS 43 2HZ LYS 43 -3.161 -1.553 14.182 262 3HZ LYS 43 3HZ LYS 43 -3.632 -0.051 13.563 263 H VAL 44 H VAL 44 0.354 -1.114 5.927 264 HA VAL 44 HA VAL 44 -2.007 0.561 5.451 265 HB VAL 44 HB VAL 44 -0.179 1.451 4.271 266 1HG1 VAL 44 1HG1 VAL 44 0.470 -1.382 3.508 267 2HG1 VAL 44 2HG1 VAL 44 1.446 -0.249 4.441 268 3HG1 VAL 44 3HG1 VAL 44 1.201 0.013 2.715 269 1HG2 VAL 44 1HG2 VAL 44 -2.217 1.243 2.903 270 2HG2 VAL 44 2HG2 VAL 44 -1.620 -0.291 2.271 271 3HG2 VAL 44 3HG2 VAL 44 -0.750 1.204 1.926 272 H GLU 45 H GLU 45 -3.759 -0.147 4.324 273 HA GLU 45 HA GLU 45 -3.756 -2.982 3.513 274 1HB GLU 45 1HB GLU 45 -6.130 -3.064 4.121 275 1HG GLU 45 1HG GLU 45 -5.911 -0.460 5.544 276 H VAL 46 H VAL 46 -5.486 -3.491 1.873 277 HA VAL 46 HA VAL 46 -5.877 -1.246 0.007 278 HB VAL 46 HB VAL 46 -5.226 -4.055 -0.878 279 1HG1 VAL 46 1HG1 VAL 46 -5.392 -3.314 -3.007 280 2HG1 VAL 46 2HG1 VAL 46 -4.778 -1.709 -2.610 281 3HG1 VAL 46 3HG1 VAL 46 -6.460 -2.118 -2.271 282 1HG2 VAL 46 1HG2 VAL 46 -3.103 -3.659 -0.333 283 2HG2 VAL 46 2HG2 VAL 46 -3.457 -1.988 0.104 284 3HG2 VAL 46 3HG2 VAL 46 -3.095 -2.404 -1.571 285 H ASN 47 H ASN 47 -8.027 -1.078 0.802 286 HA ASN 47 HA ASN 47 -10.269 -1.458 0.773 287 1HB ASN 47 1HB ASN 47 -9.404 -1.965 -1.751 288 1HD2 ASN 47 1HD2 ASN 47 -12.373 -3.439 -0.557 289 2HD2 ASN 47 2HD2 ASN 47 -13.437 -2.229 -1.181 290 H ASP 48 H ASP 48 -10.949 -2.472 2.544 291 HA ASP 48 HA ASP 48 -11.303 -4.106 4.106 292 1HB ASP 48 1HB ASP 48 -12.571 -6.024 3.234 293 H ARG 49 H ARG 49 -8.939 -4.231 4.482 294 HA ARG 49 HA ARG 49 -8.062 -6.992 4.171 295 1HB ARG 49 1HB ARG 49 -6.671 -4.617 3.013 296 1HG ARG 49 1HG ARG 49 -7.746 -6.132 1.471 297 1HD ARG 49 1HD ARG 49 -7.845 -8.194 2.599 298 HE ARG 49 HE ARG 49 -5.078 -7.785 3.258 299 1HH1 ARG 49 1HH1 ARG 49 -7.629 -10.147 2.966 300 2HH1 ARG 49 2HH1 ARG 49 -6.898 -11.259 4.075 301 1HH2 ARG 49 1HH2 ARG 49 -4.114 -9.245 4.718 302 2HH2 ARG 49 2HH2 ARG 49 -4.903 -10.746 5.070 303 H GLN 50 H GLN 50 -5.705 -7.057 5.315 304 HA GLN 50 HA GLN 50 -6.253 -6.207 8.031 305 1HB GLN 50 1HB GLN 50 -5.126 -8.458 7.015 306 1HG GLN 50 1HG GLN 50 -4.147 -8.847 9.308 307 1HE2 GLN 50 1HE2 GLN 50 -5.981 -10.116 8.082 308 2HE2 GLN 50 2HE2 GLN 50 -7.500 -10.125 8.907 309 H GLY 51 H GLY 51 -3.245 -6.121 6.106 310 1HA GLY 51 1HA GLY 51 -2.755 -3.444 5.982 311 2HA GLY 51 2HA GLY 51 -2.267 -3.869 7.615 312 H PHE 52 H PHE 52 -0.240 -2.933 6.469 313 HA PHE 52 HA PHE 52 1.882 -3.271 5.722 314 1HB PHE 52 1HB PHE 52 1.102 -5.747 7.071 315 HD1 PHE 52 HD1 PHE 52 1.895 -5.550 9.203 316 HD2 PHE 52 HD2 PHE 52 4.135 -3.845 6.011 317 HE1 PHE 52 HE1 PHE 52 3.557 -4.722 10.817 318 HE2 PHE 52 HE2 PHE 52 5.802 -3.014 7.619 319 HZ PHE 52 HZ PHE 52 5.513 -3.453 10.026 320 H VAL 53 H VAL 53 2.026 -2.864 3.594 321 HA VAL 53 HA VAL 53 1.611 -5.120 1.765 322 HB VAL 53 HB VAL 53 0.545 -3.737 0.100 323 1HG1 VAL 53 1HG1 VAL 53 -0.665 -3.790 2.828 324 2HG1 VAL 53 2HG1 VAL 53 -1.100 -4.708 1.388 325 3HG1 VAL 53 3HG1 VAL 53 -1.521 -2.999 1.504 326 1HG2 VAL 53 1HG2 VAL 53 1.618 -1.585 1.613 327 2HG2 VAL 53 2HG2 VAL 53 -0.133 -1.388 1.541 328 3HG2 VAL 53 3HG2 VAL 53 0.799 -1.532 0.053 329 HA PRO 54 HA PRO 54 5.680 -2.912 1.080 330 1HB PRO 54 1HB PRO 54 6.964 -5.479 1.546 331 1HG PRO 54 1HG PRO 54 5.988 -6.144 3.510 332 1HD PRO 54 1HD PRO 54 4.116 -6.321 2.146 333 H ALA 55 H ALA 55 4.004 -3.604 -0.941 334 HA ALA 55 HA ALA 55 4.797 -5.710 -2.602 335 1HB ALA 55 1HB ALA 55 3.318 -3.156 -3.022 336 2HB ALA 55 2HB ALA 55 2.768 -4.822 -3.212 337 3HB ALA 55 3HB ALA 55 3.826 -4.097 -4.423 338 H ALA 56 H ALA 56 6.108 -2.520 -2.107 339 HA ALA 56 HA ALA 56 8.598 -3.122 -3.219 340 1HB ALA 56 1HB ALA 56 8.404 -2.756 -5.400 341 2HB ALA 56 2HB ALA 56 7.745 -1.149 -5.102 342 3HB ALA 56 3HB ALA 56 6.667 -2.541 -5.191 343 H TYR 57 H TYR 57 9.385 -0.602 -4.164 344 HA TYR 57 HA TYR 57 9.903 0.758 -1.783 345 1HB TYR 57 1HB TYR 57 10.723 2.596 -3.241 346 HD1 TYR 57 HD1 TYR 57 10.629 -0.044 -5.781 347 HD2 TYR 57 HD2 TYR 57 9.179 3.799 -4.669 348 HE1 TYR 57 HE1 TYR 57 9.818 0.308 -8.075 349 HE2 TYR 57 HE2 TYR 57 8.363 4.160 -6.960 350 HH TYR 57 HH TYR 57 9.271 2.882 -9.460 351 H VAL 58 H VAL 58 7.596 1.561 -4.376 352 HA VAL 58 HA VAL 58 5.625 2.713 -4.321 353 HB VAL 58 HB VAL 58 5.930 3.048 -1.341 354 1HG1 VAL 58 1HG1 VAL 58 3.538 2.954 -3.174 355 2HG1 VAL 58 2HG1 VAL 58 4.185 4.376 -2.354 356 3HG1 VAL 58 3HG1 VAL 58 3.464 3.069 -1.415 357 1HG2 VAL 58 1HG2 VAL 58 4.354 0.788 -2.462 358 2HG2 VAL 58 2HG2 VAL 58 5.156 0.943 -0.899 359 3HG2 VAL 58 3HG2 VAL 58 6.104 0.612 -2.348 360 H LYS 59 H LYS 59 4.864 4.907 -4.177 361 HA LYS 59 HA LYS 59 6.831 6.827 -4.636 362 1HB LYS 59 1HB LYS 59 5.003 8.478 -4.489 363 1HG LYS 59 1HG LYS 59 3.484 6.169 -3.334 364 1HD LYS 59 1HD LYS 59 2.517 7.733 -5.411 365 1HE LYS 59 1HE LYS 59 1.483 8.744 -2.766 366 1HZ LYS 59 1HZ LYS 59 0.568 9.518 -5.476 367 2HZ LYS 59 2HZ LYS 59 -0.097 9.973 -3.989 368 3HZ LYS 59 3HZ LYS 59 -0.237 8.374 -4.523 369 H LYS 60 H LYS 60 6.727 9.026 -3.350 370 HA LYS 60 HA LYS 60 7.240 8.358 -0.529 371 1HB LYS 60 1HB LYS 60 8.414 10.554 -2.246 372 1HG LYS 60 1HG LYS 60 9.450 8.423 -2.725 373 1HD LYS 60 1HD LYS 60 9.310 8.135 0.200 374 1HE LYS 60 1HE LYS 60 11.838 8.307 -0.737 375 1HZ LYS 60 1HZ LYS 60 12.119 6.536 -2.085 376 2HZ LYS 60 2HZ LYS 60 10.863 5.642 -1.389 377 3HZ LYS 60 3HZ LYS 60 12.368 5.725 -0.621 378 H LEU 61 H LEU 61 5.693 10.619 -2.717 379 HA LEU 61 HA LEU 61 4.044 12.154 -2.428 380 1HB LEU 61 1HB LEU 61 2.836 10.373 -1.329 381 HG LEU 61 HG LEU 61 2.589 12.866 0.359 382 1HD1 LEU 61 1HD1 LEU 61 1.536 12.095 -2.320 383 2HD1 LEU 61 2HD1 LEU 61 2.133 13.653 -1.747 384 3HD1 LEU 61 3HD1 LEU 61 0.537 13.085 -1.253 385 1HD2 LEU 61 1HD2 LEU 61 0.142 11.829 0.362 386 2HD2 LEU 61 2HD2 LEU 61 1.351 11.393 1.571 387 3HD2 LEU 61 3HD2 LEU 61 1.058 10.331 0.194 388 H ASP 62 H ASP 62 4.976 11.892 0.989 389 HA ASP 62 HA ASP 62 5.812 13.411 2.459 390 1HB ASP 62 1HB ASP 62 7.173 14.167 -0.094 Start of MODEL 8 1 H GLU 7 H GLU 7 -1.132 12.504 -6.972 2 HA GLU 7 HA GLU 7 -3.057 11.305 -7.114 3 1HB GLU 7 1HB GLU 7 -0.963 9.447 -7.748 4 1HG GLU 7 1HG GLU 7 -3.686 8.731 -8.538 5 H LEU 8 H LEU 8 -1.302 8.942 -5.133 6 HA LEU 8 HA LEU 8 -2.176 9.783 -2.623 7 1HB LEU 8 1HB LEU 8 -4.299 8.796 -4.115 8 HG LEU 8 HG LEU 8 -4.080 8.902 -1.105 9 1HD1 LEU 8 1HD1 LEU 8 -5.183 11.058 -1.320 10 2HD1 LEU 8 2HD1 LEU 8 -5.184 10.898 -3.077 11 3HD1 LEU 8 3HD1 LEU 8 -3.658 11.047 -2.204 12 1HD2 LEU 8 1HD2 LEU 8 -6.549 8.828 -2.833 13 2HD2 LEU 8 2HD2 LEU 8 -6.487 8.896 -1.072 14 3HD2 LEU 8 3HD2 LEU 8 -5.918 7.458 -1.919 15 H VAL 9 H VAL 9 -2.415 6.530 -4.055 16 HA VAL 9 HA VAL 9 0.140 5.623 -3.388 17 HB VAL 9 HB VAL 9 -0.871 4.039 -1.458 18 1HG1 VAL 9 1HG1 VAL 9 1.091 5.905 -1.643 19 2HG1 VAL 9 2HG1 VAL 9 0.725 4.972 -0.191 20 3HG1 VAL 9 3HG1 VAL 9 0.072 6.600 -0.383 21 1HG2 VAL 9 1HG2 VAL 9 -2.959 5.672 -1.657 22 2HG2 VAL 9 2HG2 VAL 9 -1.990 6.627 -0.535 23 3HG2 VAL 9 3HG2 VAL 9 -2.453 4.976 -0.118 24 H LEU 10 H LEU 10 0.421 3.914 -4.652 25 HA LEU 10 HA LEU 10 -1.855 2.100 -5.102 26 1HB LEU 10 1HB LEU 10 -0.443 1.815 -7.398 27 HG LEU 10 HG LEU 10 0.953 3.878 -6.749 28 1HD1 LEU 10 1HD1 LEU 10 -0.393 4.365 -9.344 29 2HD1 LEU 10 2HD1 LEU 10 0.374 2.795 -9.102 30 3HD1 LEU 10 3HD1 LEU 10 1.325 4.272 -8.954 31 1HD2 LEU 10 1HD2 LEU 10 -1.176 5.572 -7.863 32 2HD2 LEU 10 2HD2 LEU 10 0.013 5.916 -6.607 33 3HD2 LEU 10 3HD2 LEU 10 -1.445 5.005 -6.214 34 H ALA 11 H ALA 11 -1.407 -0.079 -5.194 35 HA ALA 11 HA ALA 11 0.683 -1.102 -3.707 36 1HB ALA 11 1HB ALA 11 -0.340 -2.854 -5.853 37 2HB ALA 11 2HB ALA 11 -1.542 -2.165 -4.763 38 3HB ALA 11 3HB ALA 11 -0.219 -3.136 -4.116 39 H LEU 12 H LEU 12 0.632 -0.163 -7.043 40 HA LEU 12 HA LEU 12 2.272 0.036 -8.602 41 1HB LEU 12 1HB LEU 12 3.697 -0.041 -6.083 42 HG LEU 12 HG LEU 12 5.259 1.522 -7.245 43 1HD1 LEU 12 1HD1 LEU 12 5.140 2.015 -9.455 44 2HD1 LEU 12 2HD1 LEU 12 3.407 1.698 -9.548 45 3HD1 LEU 12 3HD1 LEU 12 4.549 0.355 -9.528 46 1HD2 LEU 12 1HD2 LEU 12 3.809 3.330 -7.122 47 2HD2 LEU 12 2HD2 LEU 12 3.021 2.125 -6.107 48 3HD2 LEU 12 3HD2 LEU 12 2.444 2.406 -7.750 49 H TYR 13 H TYR 13 3.511 -2.642 -6.597 50 HA TYR 13 HA TYR 13 4.068 -4.237 -8.899 51 1HB TYR 13 1HB TYR 13 5.009 -4.221 -6.343 52 HD1 TYR 13 HD1 TYR 13 5.350 -7.449 -6.213 53 HD2 TYR 13 HD2 TYR 13 6.036 -4.409 -9.111 54 HE1 TYR 13 HE1 TYR 13 7.074 -8.850 -7.265 55 HE2 TYR 13 HE2 TYR 13 7.762 -5.803 -10.172 56 HH TYR 13 HH TYR 13 9.351 -7.948 -9.033 57 H ASP 14 H ASP 14 2.046 -5.122 -6.094 58 HA ASP 14 HA ASP 14 -0.381 -5.478 -7.271 59 1HB ASP 14 1HB ASP 14 -0.273 -8.057 -7.658 60 H TYR 15 H TYR 15 1.769 -7.717 -5.495 61 HA TYR 15 HA TYR 15 0.636 -7.222 -2.971 62 1HB TYR 15 1HB TYR 15 -0.767 -9.134 -2.624 63 HD1 TYR 15 HD1 TYR 15 0.171 -11.346 -2.691 64 HD2 TYR 15 HD2 TYR 15 -0.893 -9.352 -6.295 65 HE1 TYR 15 HE1 TYR 15 0.402 -13.460 -3.923 66 HE2 TYR 15 HE2 TYR 15 -0.668 -11.461 -7.535 67 HH TYR 15 HH TYR 15 -0.795 -14.288 -6.396 68 H GLN 16 H GLN 16 0.884 -9.748 -1.787 69 HA GLN 16 HA GLN 16 3.583 -10.648 -2.484 70 1HB GLN 16 1HB GLN 16 4.252 -10.606 -0.119 71 1HG GLN 16 1HG GLN 16 1.665 -9.137 0.332 72 1HE2 GLN 16 1HE2 GLN 16 1.320 -8.747 2.670 73 2HE2 GLN 16 2HE2 GLN 16 2.666 -8.195 3.601 74 H GLU 17 H GLU 17 0.752 -11.186 -0.399 75 HA GLU 17 HA GLU 17 -0.222 -13.086 0.397 76 1HB GLU 17 1HB GLU 17 -0.535 -13.239 -2.137 77 1HG GLU 17 1HG GLU 17 -1.322 -14.969 -0.165 78 H LYS 18 H LYS 18 2.610 -12.645 1.053 79 HA LYS 18 HA LYS 18 3.484 -15.431 1.429 80 1HB LYS 18 1HB LYS 18 5.057 -14.001 0.173 81 1HG LYS 18 1HG LYS 18 7.053 -14.183 1.754 82 1HD LYS 18 1HD LYS 18 5.329 -16.430 0.819 83 1HE LYS 18 1HE LYS 18 7.246 -17.959 1.432 84 1HZ LYS 18 1HZ LYS 18 5.026 -17.623 2.706 85 2HZ LYS 18 2HZ LYS 18 6.018 -16.954 3.903 86 3HZ LYS 18 3HZ LYS 18 6.263 -18.549 3.397 87 H SER 19 H SER 19 3.332 -12.273 3.057 88 HA SER 19 HA SER 19 4.112 -13.116 5.600 89 1HB SER 19 1HB SER 19 2.052 -11.037 5.646 90 HG SER 19 HG SER 19 4.271 -10.126 4.311 91 HA PRO 20 HA PRO 20 0.810 -15.361 7.443 92 1HB PRO 20 1HB PRO 20 0.280 -13.956 9.758 93 1HG PRO 20 1HG PRO 20 1.632 -12.117 9.379 94 1HD PRO 20 1HD PRO 20 3.238 -12.092 7.710 95 H ARG 21 H ARG 21 -1.415 -14.949 8.663 96 HA ARG 21 HA ARG 21 -3.571 -14.270 8.473 97 1HB ARG 21 1HB ARG 21 -2.185 -11.675 7.802 98 1HG ARG 21 1HG ARG 21 -2.033 -12.555 10.146 99 1HD ARG 21 1HD ARG 21 -4.481 -13.408 10.012 100 HE ARG 21 HE ARG 21 -5.235 -10.869 11.216 101 1HH1 ARG 21 1HH1 ARG 21 -5.437 -12.997 8.452 102 2HH1 ARG 21 2HH1 ARG 21 -6.846 -12.227 7.810 103 1HH2 ARG 21 1HH2 ARG 21 -7.086 -9.860 10.368 104 2HH2 ARG 21 2HH2 ARG 21 -7.783 -10.448 8.894 105 H GLU 22 H GLU 22 -2.665 -12.030 5.918 106 HA GLU 22 HA GLU 22 -2.766 -13.519 3.648 107 1HB GLU 22 1HB GLU 22 -5.392 -13.419 4.927 108 1HG GLU 22 1HG GLU 22 -4.932 -14.868 2.391 109 H VAL 23 H VAL 23 -3.806 -12.246 1.727 110 HA VAL 23 HA VAL 23 -4.353 -9.524 1.919 111 HB VAL 23 HB VAL 23 -2.217 -8.975 2.648 112 1HG1 VAL 23 1HG1 VAL 23 -0.302 -10.066 0.961 113 2HG1 VAL 23 2HG1 VAL 23 -1.429 -11.386 1.273 114 3HG1 VAL 23 3HG1 VAL 23 -0.657 -10.549 2.620 115 1HG2 VAL 23 1HG2 VAL 23 -1.589 -7.472 1.101 116 2HG2 VAL 23 2HG2 VAL 23 -2.995 -8.067 0.218 117 3HG2 VAL 23 3HG2 VAL 23 -1.389 -8.692 -0.157 118 H THR 24 H THR 24 -1.970 -10.569 -0.462 119 HA THR 24 HA THR 24 -2.137 -10.554 -2.747 120 HB THR 24 HB THR 24 -2.492 -12.858 -2.344 121 HG1 THR 24 HG1 THR 24 -4.652 -12.070 -3.998 122 1HG2 THR 24 1HG2 THR 24 -4.150 -12.791 -0.598 123 2HG2 THR 24 2HG2 THR 24 -4.698 -13.836 -1.907 124 3HG2 THR 24 3HG2 THR 24 -5.366 -12.212 -1.736 125 H MET 25 H MET 25 -2.907 -8.374 -2.988 126 HA MET 25 HA MET 25 -5.781 -8.089 -3.452 127 1HB MET 25 1HB MET 25 -5.143 -5.617 -3.691 128 1HG MET 25 1HG MET 25 -2.552 -6.580 -3.568 129 1HE MET 25 1HE MET 25 -0.265 -6.548 -1.251 130 2HE MET 25 2HE MET 25 -0.430 -4.807 -1.022 131 3HE MET 25 3HE MET 25 -0.605 -5.505 -2.632 132 H LYS 26 H LYS 26 -2.761 -8.204 -5.143 133 HA LYS 26 HA LYS 26 -2.226 -8.212 -7.348 134 1HB LYS 26 1HB LYS 26 -4.905 -9.272 -7.189 135 1HG LYS 26 1HG LYS 26 -2.669 -10.411 -7.804 136 1HD LYS 26 1HD LYS 26 -2.714 -8.682 -9.904 137 1HE LYS 26 1HE LYS 26 -3.633 -11.337 -10.989 138 1HZ LYS 26 1HZ LYS 26 -2.169 -10.084 -12.448 139 2HZ LYS 26 2HZ LYS 26 -3.165 -8.723 -12.318 140 3HZ LYS 26 3HZ LYS 26 -3.743 -10.124 -13.071 141 H LYS 27 H LYS 27 -2.157 -6.887 -9.220 142 HA LYS 27 HA LYS 27 -2.240 -4.925 -10.366 143 1HB LYS 27 1HB LYS 27 -4.862 -4.333 -9.009 144 1HG LYS 27 1HG LYS 27 -4.488 -6.072 -11.438 145 1HD LYS 27 1HD LYS 27 -6.505 -4.535 -11.326 146 1HE LYS 27 1HE LYS 27 -7.551 -6.487 -9.311 147 1HZ LYS 27 1HZ LYS 27 -8.888 -4.801 -10.779 148 2HZ LYS 27 2HZ LYS 27 -8.420 -3.704 -9.581 149 3HZ LYS 27 3HZ LYS 27 -9.315 -5.077 -9.166 150 H GLY 28 H GLY 28 -2.003 -2.610 -10.133 151 1HA GLY 28 1HA GLY 28 -1.129 -1.912 -7.417 152 2HA GLY 28 2HA GLY 28 -0.619 -1.115 -8.898 153 H ASP 29 H ASP 29 -3.945 -1.878 -8.030 154 HA ASP 29 HA ASP 29 -4.909 0.681 -8.641 155 1HB ASP 29 1HB ASP 29 -6.084 -1.554 -6.985 156 H ILE 30 H ILE 30 -6.233 1.981 -6.953 157 HA ILE 30 HA ILE 30 -4.354 2.771 -4.886 158 HB ILE 30 HB ILE 30 -7.038 4.034 -5.401 159 1HG1 ILE 30 1HG1 ILE 30 -5.758 3.884 -7.527 160 1HG2 ILE 30 1HG2 ILE 30 -6.227 4.975 -3.474 161 2HG2 ILE 30 2HG2 ILE 30 -5.521 6.054 -4.678 162 3HG2 ILE 30 3HG2 ILE 30 -4.543 4.778 -3.956 163 1HD1 ILE 30 1HD1 ILE 30 -3.648 4.592 -7.845 164 2HD1 ILE 30 2HD1 ILE 30 -3.496 4.170 -6.140 165 3HD1 ILE 30 3HD1 ILE 30 -3.764 5.847 -6.612 166 H LEU 31 H LEU 31 -5.270 3.373 -2.704 167 HA LEU 31 HA LEU 31 -7.546 1.884 -1.782 168 1HB LEU 31 1HB LEU 31 -5.666 0.931 0.011 169 HG LEU 31 HG LEU 31 -4.608 0.279 -2.738 170 1HD1 LEU 31 1HD1 LEU 31 -3.196 1.989 -2.703 171 2HD1 LEU 31 2HD1 LEU 31 -2.707 1.628 -1.047 172 3HD1 LEU 31 3HD1 LEU 31 -4.108 2.652 -1.350 173 1HD2 LEU 31 1HD2 LEU 31 -4.307 -0.851 -0.105 174 2HD2 LEU 31 2HD2 LEU 31 -2.751 -0.321 -0.742 175 3HD2 LEU 31 3HD2 LEU 31 -3.738 -1.456 -1.662 176 H THR 32 H THR 32 -4.819 2.506 0.337 177 HA THR 32 HA THR 32 -5.321 5.148 1.053 178 HB THR 32 HB THR 32 -7.527 4.021 1.759 179 HG1 THR 32 HG1 THR 32 -6.785 6.076 2.524 180 1HG2 THR 32 1HG2 THR 32 -6.535 3.369 4.379 181 2HG2 THR 32 2HG2 THR 32 -5.850 2.303 3.151 182 3HG2 THR 32 3HG2 THR 32 -7.600 2.452 3.312 183 H LEU 33 H LEU 33 -4.950 4.774 3.941 184 HA LEU 33 HA LEU 33 -2.742 3.065 4.415 185 1HB LEU 33 1HB LEU 33 -1.248 5.238 4.883 186 HG LEU 33 HG LEU 33 -2.765 5.952 2.369 187 1HD1 LEU 33 1HD1 LEU 33 -2.480 7.349 5.022 188 2HD1 LEU 33 2HD1 LEU 33 -3.958 6.712 4.302 189 3HD1 LEU 33 3HD1 LEU 33 -3.144 8.095 3.569 190 1HD2 LEU 33 1HD2 LEU 33 -0.187 6.166 2.440 191 2HD2 LEU 33 2HD2 LEU 33 -0.496 7.512 3.538 192 3HD2 LEU 33 3HD2 LEU 33 -1.149 7.541 1.900 193 H LEU 34 H LEU 34 -3.098 2.536 6.451 194 HA LEU 34 HA LEU 34 -4.649 4.001 8.259 195 1HB LEU 34 1HB LEU 34 -3.881 1.497 8.244 196 HG LEU 34 HG LEU 34 -4.415 1.164 10.549 197 1HD1 LEU 34 1HD1 LEU 34 -4.200 4.089 11.126 198 2HD1 LEU 34 2HD1 LEU 34 -2.787 3.041 11.256 199 3HD1 LEU 34 3HD1 LEU 34 -4.213 2.726 12.245 200 1HD2 LEU 34 1HD2 LEU 34 -6.103 2.285 8.860 201 2HD2 LEU 34 2HD2 LEU 34 -6.005 3.618 10.012 202 3HD2 LEU 34 3HD2 LEU 34 -6.531 2.023 10.551 203 H ASN 35 H ASN 35 -4.131 5.994 8.911 204 HA ASN 35 HA ASN 35 -3.023 7.697 9.935 205 1HB ASN 35 1HB ASN 35 -2.309 5.505 11.382 206 1HD2 ASN 35 1HD2 ASN 35 -0.616 6.287 13.270 207 2HD2 ASN 35 2HD2 ASN 35 -1.079 7.812 13.938 208 H SER 36 H SER 36 -0.355 8.302 10.234 209 HA SER 36 HA SER 36 0.364 9.130 7.643 210 1HB SER 36 1HB SER 36 1.725 9.147 10.311 211 HG SER 36 HG SER 36 0.198 10.794 9.447 212 H THR 37 H THR 37 2.605 8.683 6.711 213 HA THR 37 HA THR 37 3.015 5.769 6.661 214 HB THR 37 HB THR 37 2.324 6.760 4.519 215 HG1 THR 37 HG1 THR 37 3.763 5.642 3.379 216 1HG2 THR 37 1HG2 THR 37 3.403 8.995 4.890 217 2HG2 THR 37 2HG2 THR 37 3.635 8.288 3.292 218 3HG2 THR 37 3HG2 THR 37 4.938 8.234 4.478 219 H ASN 38 H ASN 38 4.769 8.858 6.545 220 HA ASN 38 HA ASN 38 6.833 9.464 7.272 221 1HB ASN 38 1HB ASN 38 6.127 8.400 9.384 222 1HD2 ASN 38 1HD2 ASN 38 8.125 6.800 10.627 223 2HD2 ASN 38 2HD2 ASN 38 9.575 7.737 10.678 224 H LYS 39 H LYS 39 7.270 5.930 7.171 225 HA LYS 39 HA LYS 39 8.551 5.833 4.678 226 1HB LYS 39 1HB LYS 39 10.900 5.402 5.567 227 1HG LYS 39 1HG LYS 39 10.992 7.198 7.660 228 1HD LYS 39 1HD LYS 39 11.194 4.217 7.467 229 1HE LYS 39 1HE LYS 39 12.380 4.782 9.842 230 1HZ LYS 39 1HZ LYS 39 10.786 2.956 9.249 231 2HZ LYS 39 2HZ LYS 39 9.528 4.010 9.657 232 3HZ LYS 39 3HZ LYS 39 10.657 3.548 10.829 233 H ASP 40 H ASP 40 6.665 4.312 6.118 234 HA ASP 40 HA ASP 40 8.085 1.740 6.278 235 1HB ASP 40 1HB ASP 40 6.213 2.981 8.225 236 H TRP 41 H TRP 41 6.854 -0.112 5.676 237 HA TRP 41 HA TRP 41 5.291 0.217 3.390 238 1HB TRP 41 1HB TRP 41 4.980 -2.143 3.416 239 HD1 TRP 41 HD1 TRP 41 3.181 -3.283 4.948 240 HE1 TRP 41 HE1 TRP 41 3.265 -4.350 7.288 241 HE3 TRP 41 HE3 TRP 41 7.775 -1.604 6.446 242 HZ2 TRP 41 HZ2 TRP 41 5.039 -4.463 9.478 243 HZ3 TRP 41 HZ3 TRP 41 8.588 -2.235 8.679 244 HH2 TRP 41 HH2 TRP 41 7.249 -3.636 10.163 245 H TRP 42 H TRP 42 4.307 -0.565 6.715 246 HA TRP 42 HA TRP 42 2.330 -0.365 7.810 247 1HB TRP 42 1HB TRP 42 1.858 1.644 5.606 248 HD1 TRP 42 HD1 TRP 42 3.485 3.568 6.009 249 HE1 TRP 42 HE1 TRP 42 4.511 4.724 8.067 250 HE3 TRP 42 HE3 TRP 42 1.420 0.673 9.682 251 HZ2 TRP 42 HZ2 TRP 42 4.453 4.446 10.875 252 HZ3 TRP 42 HZ3 TRP 42 1.958 1.184 12.029 253 HH2 TRP 42 HH2 TRP 42 3.444 3.031 12.612 254 H LYS 43 H LYS 43 0.419 -1.446 7.914 255 HA LYS 43 HA LYS 43 -0.151 -3.420 6.042 256 1HB LYS 43 1HB LYS 43 -2.372 -3.586 7.254 257 1HG LYS 43 1HG LYS 43 -1.468 -1.035 8.323 258 1HD LYS 43 1HD LYS 43 -2.458 -1.607 10.603 259 1HE LYS 43 1HE LYS 43 0.143 -3.020 10.191 260 1HZ LYS 43 1HZ LYS 43 -0.749 -1.010 12.186 261 2HZ LYS 43 2HZ LYS 43 0.724 -1.841 12.194 262 3HZ LYS 43 3HZ LYS 43 -0.723 -2.683 12.438 263 H VAL 44 H VAL 44 -1.062 -0.095 6.066 264 HA VAL 44 HA VAL 44 -2.243 1.191 4.612 265 HB VAL 44 HB VAL 44 -1.909 -1.254 2.878 266 1HG1 VAL 44 1HG1 VAL 44 -3.506 1.186 2.412 267 2HG1 VAL 44 2HG1 VAL 44 -3.679 -0.432 1.734 268 3HG1 VAL 44 3HG1 VAL 44 -2.462 0.669 1.088 269 1HG2 VAL 44 1HG2 VAL 44 0.171 -0.291 3.066 270 2HG2 VAL 44 2HG2 VAL 44 -0.479 1.340 3.222 271 3HG2 VAL 44 3HG2 VAL 44 -0.463 0.544 1.649 272 H GLU 45 H GLU 45 -3.654 -1.928 3.671 273 HA GLU 45 HA GLU 45 -5.744 -2.801 3.918 274 1HB GLU 45 1HB GLU 45 -6.371 -0.594 5.875 275 1HG GLU 45 1HG GLU 45 -5.252 -3.260 6.662 276 H VAL 46 H VAL 46 -8.018 -2.334 3.386 277 HA VAL 46 HA VAL 46 -8.880 0.204 2.524 278 HB VAL 46 HB VAL 46 -7.206 -0.111 0.757 279 1HG1 VAL 46 1HG1 VAL 46 -8.825 -2.437 -0.239 280 2HG1 VAL 46 2HG1 VAL 46 -7.411 -2.640 0.795 281 3HG1 VAL 46 3HG1 VAL 46 -7.244 -1.884 -0.789 282 1HG2 VAL 46 1HG2 VAL 46 -10.067 0.221 0.289 283 2HG2 VAL 46 2HG2 VAL 46 -9.171 -0.267 -1.150 284 3HG2 VAL 46 3HG2 VAL 46 -8.704 1.190 -0.274 285 H ASN 47 H ASN 47 -9.115 -3.268 1.763 286 HA ASN 47 HA ASN 47 -11.616 -3.719 2.784 287 1HB ASN 47 1HB ASN 47 -12.971 -3.762 0.589 288 1HD2 ASN 47 1HD2 ASN 47 -11.291 -4.339 -1.072 289 2HD2 ASN 47 2HD2 ASN 47 -10.777 -3.073 -2.129 290 H ASP 48 H ASP 48 -12.380 -5.811 2.394 291 HA ASP 48 HA ASP 48 -12.145 -8.035 1.979 292 1HB ASP 48 1HB ASP 48 -11.248 -6.877 -0.659 293 H ARG 49 H ARG 49 -9.838 -6.526 3.130 294 HA ARG 49 HA ARG 49 -7.976 -8.686 3.123 295 1HB ARG 49 1HB ARG 49 -7.569 -6.538 1.233 296 1HG ARG 49 1HG ARG 49 -5.375 -8.096 0.993 297 1HD ARG 49 1HD ARG 49 -7.939 -7.864 -0.246 298 HE ARG 49 HE ARG 49 -7.710 -10.439 0.530 299 1HH1 ARG 49 1HH1 ARG 49 -7.467 -8.860 -2.572 300 2HH1 ARG 49 2HH1 ARG 49 -8.039 -10.235 -3.456 301 1HH2 ARG 49 1HH2 ARG 49 -8.461 -12.249 -0.631 302 2HH2 ARG 49 2HH2 ARG 49 -8.604 -12.158 -2.355 303 H GLN 50 H GLN 50 -7.234 -5.241 3.475 304 HA GLN 50 HA GLN 50 -6.461 -4.043 5.246 305 1HB GLN 50 1HB GLN 50 -8.868 -4.268 5.826 306 1HG GLN 50 1HG GLN 50 -6.766 -3.905 7.854 307 1HE2 GLN 50 1HE2 GLN 50 -10.277 -4.363 7.791 308 2HE2 GLN 50 2HE2 GLN 50 -10.431 -4.758 9.465 309 H GLY 51 H GLY 51 -4.347 -4.730 5.444 310 1HA GLY 51 1HA GLY 51 -3.071 -5.418 7.552 311 2HA GLY 51 2HA GLY 51 -3.862 -6.966 7.307 312 H PHE 52 H PHE 52 -1.006 -5.608 7.069 313 HA PHE 52 HA PHE 52 0.925 -6.061 5.970 314 1HB PHE 52 1HB PHE 52 -0.649 -8.461 5.022 315 HD1 PHE 52 HD1 PHE 52 1.779 -7.072 7.458 316 HD2 PHE 52 HD2 PHE 52 -0.796 -10.305 6.439 317 HE1 PHE 52 HE1 PHE 52 2.151 -8.062 9.678 318 HE2 PHE 52 HE2 PHE 52 -0.429 -11.301 8.660 319 HZ PHE 52 HZ PHE 52 1.045 -10.179 10.282 320 H VAL 53 H VAL 53 1.498 -4.686 4.453 321 HA VAL 53 HA VAL 53 0.769 -5.138 1.704 322 HB VAL 53 HB VAL 53 -0.079 -2.585 3.085 323 1HG1 VAL 53 1HG1 VAL 53 0.290 -3.212 0.176 324 2HG1 VAL 53 2HG1 VAL 53 0.824 -1.800 1.085 325 3HG1 VAL 53 3HG1 VAL 53 -0.885 -2.010 0.710 326 1HG2 VAL 53 1HG2 VAL 53 -1.611 -4.698 1.575 327 2HG2 VAL 53 2HG2 VAL 53 -2.291 -3.161 2.111 328 3HG2 VAL 53 3HG2 VAL 53 -1.717 -4.333 3.296 329 HA PRO 54 HA PRO 54 5.133 -3.791 2.290 330 1HB PRO 54 1HB PRO 54 5.295 -5.075 -0.379 331 1HG PRO 54 1HG PRO 54 4.540 -7.160 0.309 332 1HD PRO 54 1HD PRO 54 2.560 -5.956 0.261 333 H ALA 55 H ALA 55 5.944 -1.898 1.653 334 HA ALA 55 HA ALA 55 4.685 -0.539 -0.618 335 1HB ALA 55 1HB ALA 55 5.657 1.517 0.344 336 2HB ALA 55 2HB ALA 55 6.345 0.554 1.651 337 3HB ALA 55 3HB ALA 55 4.594 0.675 1.471 338 H ALA 56 H ALA 56 6.129 -2.210 -1.823 339 HA ALA 56 HA ALA 56 8.854 -2.111 -2.021 340 1HB ALA 56 1HB ALA 56 7.856 -3.733 -3.333 341 2HB ALA 56 2HB ALA 56 8.419 -2.573 -4.537 342 3HB ALA 56 3HB ALA 56 6.722 -2.593 -4.060 343 H TYR 57 H TYR 57 6.553 0.258 -3.135 344 HA TYR 57 HA TYR 57 8.661 2.176 -3.548 345 1HB TYR 57 1HB TYR 57 6.987 2.274 -5.915 346 HD1 TYR 57 HD1 TYR 57 9.865 0.476 -6.739 347 HD2 TYR 57 HD2 TYR 57 5.840 -0.090 -5.477 348 HE1 TYR 57 HE1 TYR 57 9.904 -1.807 -7.653 349 HE2 TYR 57 HE2 TYR 57 5.869 -2.374 -6.385 350 HH TYR 57 HH TYR 57 7.998 -4.136 -6.865 351 H VAL 58 H VAL 58 5.359 1.952 -4.847 352 HA VAL 58 HA VAL 58 3.545 3.310 -4.603 353 HB VAL 58 HB VAL 58 4.135 3.961 -1.781 354 1HG1 VAL 58 1HG1 VAL 58 1.909 3.943 -1.622 355 2HG1 VAL 58 2HG1 VAL 58 1.774 2.379 -2.424 356 3HG1 VAL 58 3HG1 VAL 58 1.906 3.851 -3.382 357 1HG2 VAL 58 1HG2 VAL 58 3.494 1.535 -1.181 358 2HG2 VAL 58 2HG2 VAL 58 5.167 1.880 -1.618 359 3HG2 VAL 58 3HG2 VAL 58 4.082 1.141 -2.796 360 H LYS 59 H LYS 59 2.843 5.543 -3.465 361 HA LYS 59 HA LYS 59 4.693 7.491 -4.543 362 1HB LYS 59 1HB LYS 59 2.089 8.134 -3.183 363 1HG LYS 59 1HG LYS 59 1.763 6.322 -4.924 364 1HD LYS 59 1HD LYS 59 1.639 7.610 -7.258 365 1HE LYS 59 1HE LYS 59 3.265 5.625 -6.124 366 1HZ LYS 59 1HZ LYS 59 5.388 6.055 -6.656 367 2HZ LYS 59 2HZ LYS 59 4.926 7.676 -6.517 368 3HZ LYS 59 3HZ LYS 59 4.990 6.945 -8.040 369 H LYS 60 H LYS 60 5.459 9.326 -3.382 370 HA LYS 60 HA LYS 60 6.514 8.734 -0.848 371 1HB LYS 60 1HB LYS 60 7.112 10.551 -2.743 372 1HG LYS 60 1HG LYS 60 7.881 10.325 0.100 373 1HD LYS 60 1HD LYS 60 9.250 12.487 -1.345 374 1HE LYS 60 1HE LYS 60 8.160 12.859 1.366 375 1HZ LYS 60 1HZ LYS 60 9.744 14.401 0.960 376 2HZ LYS 60 2HZ LYS 60 10.615 13.418 -0.104 377 3HZ LYS 60 3HZ LYS 60 10.760 13.192 1.566 378 H LEU 61 H LEU 61 3.671 10.550 -1.847 379 HA LEU 61 HA LEU 61 1.889 11.366 -0.698 380 1HB LEU 61 1HB LEU 61 2.166 8.909 0.205 381 HG LEU 61 HG LEU 61 0.225 9.071 1.600 382 1HD1 LEU 61 1HD1 LEU 61 -0.635 11.151 2.458 383 2HD1 LEU 61 2HD1 LEU 61 0.660 12.052 1.672 384 3HD1 LEU 61 3HD1 LEU 61 1.032 10.945 2.994 385 1HD2 LEU 61 1HD2 LEU 61 -1.222 9.765 0.002 386 2HD2 LEU 61 2HD2 LEU 61 0.249 9.814 -0.969 387 3HD2 LEU 61 3HD2 LEU 61 -0.383 11.296 -0.250 388 H ASP 62 H ASP 62 2.198 13.456 -0.229 389 HA ASP 62 HA ASP 62 3.902 14.144 2.066 390 1HB ASP 62 1HB ASP 62 3.972 16.417 1.106 Start of MODEL 9 1 H GLU 7 H GLU 7 -3.326 10.554 -5.330 2 HA GLU 7 HA GLU 7 -3.119 13.193 -4.418 3 1HB GLU 7 1HB GLU 7 -5.566 13.204 -4.604 4 1HG GLU 7 1HG GLU 7 -5.943 13.241 -1.905 5 H LEU 8 H LEU 8 -3.980 9.896 -3.442 6 HA LEU 8 HA LEU 8 -2.362 10.184 -1.020 7 1HB LEU 8 1HB LEU 8 -4.251 8.019 -1.938 8 HG LEU 8 HG LEU 8 -5.503 8.583 0.123 9 1HD1 LEU 8 1HD1 LEU 8 -4.212 11.235 0.270 10 2HD1 LEU 8 2HD1 LEU 8 -3.312 9.878 0.947 11 3HD1 LEU 8 3HD1 LEU 8 -4.931 10.246 1.543 12 1HD2 LEU 8 1HD2 LEU 8 -5.302 11.034 -1.586 13 2HD2 LEU 8 2HD2 LEU 8 -6.731 10.290 -0.866 14 3HD2 LEU 8 3HD2 LEU 8 -5.933 9.523 -2.239 15 H VAL 9 H VAL 9 -2.875 7.317 -3.015 16 HA VAL 9 HA VAL 9 -0.095 7.223 -3.800 17 HB VAL 9 HB VAL 9 0.359 5.051 -2.802 18 1HG1 VAL 9 1HG1 VAL 9 0.790 7.210 -1.563 19 2HG1 VAL 9 2HG1 VAL 9 0.720 5.750 -0.577 20 3HG1 VAL 9 3HG1 VAL 9 -0.657 6.851 -0.620 21 1HG2 VAL 9 1HG2 VAL 9 -2.408 5.318 -1.638 22 2HG2 VAL 9 2HG2 VAL 9 -1.212 4.151 -1.075 23 3HG2 VAL 9 3HG2 VAL 9 -1.818 4.064 -2.728 24 H LEU 10 H LEU 10 -0.395 4.243 -4.251 25 HA LEU 10 HA LEU 10 -2.622 3.843 -5.958 26 1HB LEU 10 1HB LEU 10 -1.584 3.898 -8.100 27 HG LEU 10 HG LEU 10 0.821 3.381 -7.008 28 1HD1 LEU 10 1HD1 LEU 10 0.038 4.582 -9.630 29 2HD1 LEU 10 2HD1 LEU 10 0.545 2.934 -9.260 30 3HD1 LEU 10 3HD1 LEU 10 1.731 4.238 -9.274 31 1HD2 LEU 10 1HD2 LEU 10 0.578 6.335 -7.245 32 2HD2 LEU 10 2HD2 LEU 10 2.112 5.569 -7.656 33 3HD2 LEU 10 3HD2 LEU 10 1.429 5.368 -6.042 34 H ALA 11 H ALA 11 -1.150 2.497 -3.837 35 HA ALA 11 HA ALA 11 -0.510 0.397 -3.245 36 1HB ALA 11 1HB ALA 11 -1.856 -0.134 -5.869 37 2HB ALA 11 2HB ALA 11 -2.416 -0.498 -4.236 38 3HB ALA 11 3HB ALA 11 -1.104 -1.437 -4.949 39 H LEU 12 H LEU 12 0.085 -0.069 -6.705 40 HA LEU 12 HA LEU 12 1.975 -0.480 -7.899 41 1HB LEU 12 1HB LEU 12 2.679 1.593 -6.082 42 HG LEU 12 HG LEU 12 2.733 1.927 -8.489 43 1HD1 LEU 12 1HD1 LEU 12 4.078 3.529 -7.591 44 2HD1 LEU 12 2HD1 LEU 12 5.261 2.691 -8.596 45 3HD1 LEU 12 3HD1 LEU 12 5.180 2.359 -6.866 46 1HD2 LEU 12 1HD2 LEU 12 4.948 0.898 -9.554 47 2HD2 LEU 12 2HD2 LEU 12 3.398 0.055 -9.582 48 3HD2 LEU 12 3HD2 LEU 12 4.607 -0.360 -8.367 49 H TYR 13 H TYR 13 3.428 -0.644 -4.662 50 HA TYR 13 HA TYR 13 4.146 -3.435 -5.227 51 1HB TYR 13 1HB TYR 13 5.510 -1.210 -3.920 52 HD1 TYR 13 HD1 TYR 13 5.853 -1.921 -6.608 53 HD2 TYR 13 HD2 TYR 13 7.529 -3.824 -3.191 54 HE1 TYR 13 HE1 TYR 13 7.695 -2.776 -7.995 55 HE2 TYR 13 HE2 TYR 13 9.376 -4.682 -4.568 56 HH TYR 13 HH TYR 13 9.340 -4.910 -7.758 57 H ASP 14 H ASP 14 1.709 -3.637 -4.641 58 HA ASP 14 HA ASP 14 1.551 -4.244 -1.764 59 1HB ASP 14 1HB ASP 14 -0.393 -2.829 -3.536 60 H TYR 15 H TYR 15 2.389 -6.339 -2.703 61 HA TYR 15 HA TYR 15 0.108 -8.089 -3.203 62 1HB TYR 15 1HB TYR 15 0.974 -7.512 -5.439 63 HD1 TYR 15 HD1 TYR 15 -0.946 -9.171 -5.489 64 HD2 TYR 15 HD2 TYR 15 3.126 -10.367 -5.179 65 HE1 TYR 15 HE1 TYR 15 -1.557 -11.431 -6.242 66 HE2 TYR 15 HE2 TYR 15 2.524 -12.629 -5.931 67 HH TYR 15 HH TYR 15 -0.525 -13.372 -7.273 68 H GLN 16 H GLN 16 0.964 -8.226 -0.840 69 HA GLN 16 HA GLN 16 2.046 -10.763 -0.451 70 1HB GLN 16 1HB GLN 16 4.031 -8.649 -0.778 71 1HG GLN 16 1HG GLN 16 4.851 -11.423 -0.219 72 1HE2 GLN 16 1HE2 GLN 16 6.850 -11.668 -0.926 73 2HE2 GLN 16 2HE2 GLN 16 7.661 -10.632 -2.045 74 H GLU 17 H GLU 17 2.746 -11.085 1.907 75 HA GLU 17 HA GLU 17 2.112 -9.219 3.898 76 1HB GLU 17 1HB GLU 17 -0.179 -9.401 3.127 77 1HG GLU 17 1HG GLU 17 -1.337 -10.035 5.085 78 H LYS 18 H LYS 18 1.155 -12.638 3.657 79 HA LYS 18 HA LYS 18 3.274 -13.279 5.604 80 1HB LYS 18 1HB LYS 18 0.580 -13.354 6.140 81 1HG LYS 18 1HG LYS 18 1.246 -15.070 7.950 82 1HD LYS 18 1HD LYS 18 2.586 -13.317 9.154 83 1HE LYS 18 1HE LYS 18 0.781 -11.801 9.394 84 1HZ LYS 18 1HZ LYS 18 -1.047 -13.222 9.684 85 2HZ LYS 18 2HZ LYS 18 0.309 -14.203 9.920 86 3HZ LYS 18 3HZ LYS 18 -0.544 -14.278 8.461 87 H SER 19 H SER 19 3.278 -15.907 5.707 88 HA SER 19 HA SER 19 4.479 -16.715 3.307 89 1HB SER 19 1HB SER 19 5.233 -17.942 5.115 90 HG SER 19 HG SER 19 4.729 -20.002 4.682 91 HA PRO 20 HA PRO 20 0.547 -19.414 2.404 92 1HB PRO 20 1HB PRO 20 -1.700 -18.727 3.840 93 1HG PRO 20 1HG PRO 20 -0.751 -17.308 5.396 94 1HD PRO 20 1HD PRO 20 1.530 -17.119 5.637 95 H ARG 21 H ARG 21 -1.217 -16.612 3.680 96 HA ARG 21 HA ARG 21 -1.044 -14.926 1.480 97 1HB ARG 21 1HB ARG 21 -2.790 -17.201 1.054 98 1HG ARG 21 1HG ARG 21 -1.688 -14.974 -0.588 99 1HD ARG 21 1HD ARG 21 -4.231 -15.649 -1.059 100 HE ARG 21 HE ARG 21 -2.944 -18.004 -1.793 101 1HH1 ARG 21 1HH1 ARG 21 -5.103 -15.659 -3.212 102 2HH1 ARG 21 2HH1 ARG 21 -5.845 -16.803 -4.281 103 1HH2 ARG 21 1HH2 ARG 21 -3.918 -19.510 -3.197 104 2HH2 ARG 21 2HH2 ARG 21 -5.173 -18.990 -4.271 105 H GLU 22 H GLU 22 -2.676 -13.194 1.517 106 HA GLU 22 HA GLU 22 -4.673 -12.997 3.477 107 1HB GLU 22 1HB GLU 22 -2.802 -13.046 5.056 108 1HG GLU 22 1HG GLU 22 -3.880 -10.243 4.863 109 H VAL 23 H VAL 23 -2.155 -10.659 2.531 110 HA VAL 23 HA VAL 23 -4.272 -9.004 1.336 111 HB VAL 23 HB VAL 23 -1.503 -8.111 2.139 112 1HG1 VAL 23 1HG1 VAL 23 -2.173 -6.450 0.745 113 2HG1 VAL 23 2HG1 VAL 23 -2.993 -5.898 2.206 114 3HG1 VAL 23 3HG1 VAL 23 -3.887 -6.794 0.979 115 1HG2 VAL 23 1HG2 VAL 23 -3.972 -8.457 3.722 116 2HG2 VAL 23 2HG2 VAL 23 -3.095 -6.946 3.959 117 3HG2 VAL 23 3HG2 VAL 23 -2.284 -8.489 4.229 118 H THR 24 H THR 24 -4.003 -8.092 -0.709 119 HA THR 24 HA THR 24 -1.711 -8.262 -2.304 120 HB THR 24 HB THR 24 -1.871 -10.604 -2.416 121 HG1 THR 24 HG1 THR 24 -2.561 -10.988 -4.569 122 1HG2 THR 24 1HG2 THR 24 -4.367 -11.302 -3.398 123 2HG2 THR 24 2HG2 THR 24 -4.700 -10.184 -2.075 124 3HG2 THR 24 3HG2 THR 24 -3.728 -11.626 -1.787 125 H MET 25 H MET 25 -2.116 -6.401 -3.313 126 HA MET 25 HA MET 25 -4.245 -6.258 -5.226 127 1HB MET 25 1HB MET 25 -5.400 -4.337 -4.349 128 1HG MET 25 1HG MET 25 -3.475 -3.296 -3.157 129 1HE MET 25 1HE MET 25 -2.967 -3.841 0.879 130 2HE MET 25 2HE MET 25 -4.549 -3.375 0.252 131 3HE MET 25 3HE MET 25 -3.094 -2.584 -0.351 132 H LYS 26 H LYS 26 -3.497 -5.212 -6.946 133 HA LYS 26 HA LYS 26 -1.441 -3.143 -6.553 134 1HB LYS 26 1HB LYS 26 -1.438 -5.129 -8.827 135 1HG LYS 26 1HG LYS 26 -0.916 -5.990 -6.380 136 1HD LYS 26 1HD LYS 26 0.920 -4.041 -6.421 137 1HE LYS 26 1HE LYS 26 2.071 -5.088 -8.370 138 1HZ LYS 26 1HZ LYS 26 3.047 -7.123 -8.260 139 2HZ LYS 26 2HZ LYS 26 1.700 -7.430 -7.285 140 3HZ LYS 26 3HZ LYS 26 3.201 -7.104 -6.576 141 H LYS 27 H LYS 27 -1.134 -2.559 -9.315 142 HA LYS 27 HA LYS 27 -2.087 -1.474 -11.086 143 1HB LYS 27 1HB LYS 27 -4.076 -3.174 -10.475 144 1HG LYS 27 1HG LYS 27 -4.939 -0.951 -12.230 145 1HD LYS 27 1HD LYS 27 -4.626 -3.862 -12.885 146 1HE LYS 27 1HE LYS 27 -5.190 -2.567 -14.776 147 1HZ LYS 27 1HZ LYS 27 -5.851 -0.506 -13.955 148 2HZ LYS 27 2HZ LYS 27 -7.058 -1.161 -12.970 149 3HZ LYS 27 3HZ LYS 27 -7.265 -1.125 -14.647 150 H GLY 28 H GLY 28 -3.793 0.457 -11.403 151 1HA GLY 28 1HA GLY 28 -2.803 2.611 -9.940 152 2HA GLY 28 2HA GLY 28 -4.270 2.643 -10.902 153 H ASP 29 H ASP 29 -5.285 0.383 -9.075 154 HA ASP 29 HA ASP 29 -6.986 1.821 -7.485 155 1HB ASP 29 1HB ASP 29 -6.660 -0.808 -7.964 156 H ILE 30 H ILE 30 -6.925 2.815 -5.550 157 HA ILE 30 HA ILE 30 -4.331 2.884 -4.168 158 HB ILE 30 HB ILE 30 -6.332 4.853 -3.310 159 1HG1 ILE 30 1HG1 ILE 30 -5.220 4.998 -6.123 160 1HG2 ILE 30 1HG2 ILE 30 -3.444 4.620 -3.739 161 2HG2 ILE 30 2HG2 ILE 30 -4.343 5.500 -2.504 162 3HG2 ILE 30 3HG2 ILE 30 -4.113 6.212 -4.100 163 1HD1 ILE 30 1HD1 ILE 30 -6.855 7.002 -6.164 164 2HD1 ILE 30 2HD1 ILE 30 -5.233 7.210 -5.505 165 3HD1 ILE 30 3HD1 ILE 30 -6.608 7.008 -4.418 166 H LEU 31 H LEU 31 -5.078 3.850 -1.713 167 HA LEU 31 HA LEU 31 -7.071 2.032 -0.621 168 1HB LEU 31 1HB LEU 31 -4.821 1.894 1.125 169 HG LEU 31 HG LEU 31 -4.182 1.180 -1.726 170 1HD1 LEU 31 1HD1 LEU 31 -3.459 3.364 -0.638 171 2HD1 LEU 31 2HD1 LEU 31 -2.199 2.379 -1.381 172 3HD1 LEU 31 3HD1 LEU 31 -2.401 2.377 0.371 173 1HD2 LEU 31 1HD2 LEU 31 -3.914 -0.613 0.326 174 2HD2 LEU 31 2HD2 LEU 31 -2.342 0.186 0.311 175 3HD2 LEU 31 3HD2 LEU 31 -2.949 -0.593 -1.150 176 H THR 32 H THR 32 -4.457 3.748 1.050 177 HA THR 32 HA THR 32 -5.565 6.156 1.649 178 HB THR 32 HB THR 32 -7.551 5.308 2.569 179 HG1 THR 32 HG1 THR 32 -5.881 5.521 4.843 180 1HG2 THR 32 1HG2 THR 32 -7.859 3.314 3.490 181 2HG2 THR 32 2HG2 THR 32 -6.522 3.531 4.619 182 3HG2 THR 32 3HG2 THR 32 -6.211 2.949 2.983 183 H LEU 33 H LEU 33 -4.382 3.422 3.612 184 HA LEU 33 HA LEU 33 -2.591 3.196 4.990 185 1HB LEU 33 1HB LEU 33 -1.196 5.460 3.635 186 HG LEU 33 HG LEU 33 -2.340 3.228 2.177 187 1HD1 LEU 33 1HD1 LEU 33 -0.592 5.089 0.767 188 2HD1 LEU 33 2HD1 LEU 33 -1.819 5.880 1.755 189 3HD1 LEU 33 3HD1 LEU 33 -2.297 4.721 0.517 190 1HD2 LEU 33 1HD2 LEU 33 0.078 3.106 0.963 191 2HD2 LEU 33 2HD2 LEU 33 -0.514 1.918 2.125 192 3HD2 LEU 33 3HD2 LEU 33 0.559 3.213 2.657 193 H LEU 34 H LEU 34 -3.324 3.836 6.953 194 HA LEU 34 HA LEU 34 -3.952 6.433 7.745 195 1HB LEU 34 1HB LEU 34 -4.053 5.619 9.948 196 HG LEU 34 HG LEU 34 -1.843 4.679 10.294 197 1HD1 LEU 34 1HD1 LEU 34 -2.474 2.606 11.480 198 2HD1 LEU 34 2HD1 LEU 34 -4.057 2.677 10.704 199 3HD1 LEU 34 3HD1 LEU 34 -3.563 3.953 11.817 200 1HD2 LEU 34 1HD2 LEU 34 -2.760 2.547 8.373 201 2HD2 LEU 34 2HD2 LEU 34 -1.340 2.397 9.410 202 3HD2 LEU 34 3HD2 LEU 34 -1.404 3.660 8.181 203 H ASN 35 H ASN 35 -2.556 7.001 10.049 204 HA ASN 35 HA ASN 35 -0.381 8.474 9.096 205 1HB ASN 35 1HB ASN 35 0.183 8.799 11.510 206 1HD2 ASN 35 1HD2 ASN 35 0.658 7.298 12.993 207 2HD2 ASN 35 2HD2 ASN 35 -0.506 6.306 13.798 208 H SER 36 H SER 36 0.995 7.107 7.931 209 HA SER 36 HA SER 36 2.127 4.725 8.871 210 1HB SER 36 1HB SER 36 2.329 5.138 6.556 211 HG SER 36 HG SER 36 4.908 5.835 6.831 212 H THR 37 H THR 37 4.383 4.336 9.482 213 HA THR 37 HA THR 37 5.701 6.574 10.835 214 HB THR 37 HB THR 37 4.501 5.655 12.648 215 HG1 THR 37 HG1 THR 37 6.158 4.681 13.898 216 1HG2 THR 37 1HG2 THR 37 4.694 3.198 13.214 217 2HG2 THR 37 2HG2 THR 37 5.239 2.965 11.554 218 3HG2 THR 37 3HG2 THR 37 3.633 3.622 11.872 219 H ASN 38 H ASN 38 7.714 6.653 10.115 220 HA ASN 38 HA ASN 38 8.954 4.633 8.619 221 1HB ASN 38 1HB ASN 38 10.351 6.854 10.122 222 1HD2 ASN 38 1HD2 ASN 38 8.746 8.398 9.894 223 2HD2 ASN 38 2HD2 ASN 38 8.323 9.069 8.360 224 H LYS 39 H LYS 39 8.888 2.687 9.752 225 HA LYS 39 HA LYS 39 11.133 2.064 11.307 226 1HB LYS 39 1HB LYS 39 9.443 3.391 12.893 227 1HG LYS 39 1HG LYS 39 11.574 2.564 13.682 228 1HD LYS 39 1HD LYS 39 10.197 -0.072 13.474 229 1HE LYS 39 1HE LYS 39 10.731 -0.115 15.781 230 1HZ LYS 39 1HZ LYS 39 12.116 1.622 16.265 231 2HZ LYS 39 2HZ LYS 39 13.154 1.325 14.964 232 3HZ LYS 39 3HZ LYS 39 13.217 0.339 16.335 233 H ASP 40 H ASP 40 7.774 1.257 10.582 234 HA ASP 40 HA ASP 40 8.620 -1.527 10.150 235 1HB ASP 40 1HB ASP 40 6.459 -2.304 11.036 236 H TRP 41 H TRP 41 6.483 -2.652 9.075 237 HA TRP 41 HA TRP 41 6.278 -1.347 6.514 238 1HB TRP 41 1HB TRP 41 5.846 -4.021 7.585 239 HD1 TRP 41 HD1 TRP 41 5.406 -5.205 4.553 240 HE1 TRP 41 HE1 TRP 41 7.436 -5.188 2.972 241 HE3 TRP 41 HE3 TRP 41 8.234 -1.646 6.895 242 HZ2 TRP 41 HZ2 TRP 41 9.908 -3.846 2.745 243 HZ3 TRP 41 HZ3 TRP 41 10.420 -1.055 5.931 244 HH2 TRP 41 HH2 TRP 41 11.238 -2.133 3.899 245 H TRP 42 H TRP 42 4.632 -0.908 9.321 246 HA TRP 42 HA TRP 42 2.555 -0.192 9.923 247 1HB TRP 42 1HB TRP 42 1.657 1.616 8.455 248 HD1 TRP 42 HD1 TRP 42 1.114 0.793 5.899 249 HE1 TRP 42 HE1 TRP 42 2.433 1.185 3.723 250 HE3 TRP 42 HE3 TRP 42 5.638 2.067 7.909 251 HZ2 TRP 42 HZ2 TRP 42 5.045 1.936 2.961 252 HZ3 TRP 42 HZ3 TRP 42 7.496 2.608 6.388 253 HH2 TRP 42 HH2 TRP 42 7.204 2.542 3.965 254 H LYS 43 H LYS 43 0.220 0.372 8.719 255 HA LYS 43 HA LYS 43 -0.485 -2.081 7.252 256 1HB LYS 43 1HB LYS 43 -2.616 -2.138 8.483 257 1HG LYS 43 1HG LYS 43 -2.331 -0.771 10.775 258 1HD LYS 43 1HD LYS 43 -3.709 1.064 9.347 259 1HE LYS 43 1HE LYS 43 -4.337 -0.838 11.127 260 1HZ LYS 43 1HZ LYS 43 -5.504 -1.717 8.551 261 2HZ LYS 43 2HZ LYS 43 -6.192 -2.118 10.043 262 3HZ LYS 43 3HZ LYS 43 -4.628 -2.640 9.667 263 H VAL 44 H VAL 44 -2.546 -1.911 6.048 264 HA VAL 44 HA VAL 44 -3.325 0.810 5.324 265 HB VAL 44 HB VAL 44 -2.622 -1.183 3.174 266 1HG1 VAL 44 1HG1 VAL 44 -3.649 1.589 3.264 267 2HG1 VAL 44 2HG1 VAL 44 -3.964 0.298 2.105 268 3HG1 VAL 44 3HG1 VAL 44 -2.464 1.219 2.012 269 1HG2 VAL 44 1HG2 VAL 44 -0.552 -0.015 2.811 270 2HG2 VAL 44 2HG2 VAL 44 -0.611 -0.550 4.492 271 3HG2 VAL 44 3HG2 VAL 44 -0.929 1.138 4.092 272 H GLU 45 H GLU 45 -5.321 0.901 4.098 273 HA GLU 45 HA GLU 45 -7.059 -1.375 4.731 274 1HB GLU 45 1HB GLU 45 -7.971 1.368 3.882 275 1HG GLU 45 1HG GLU 45 -6.504 1.532 5.905 276 H VAL 46 H VAL 46 -9.159 -0.830 3.000 277 HA VAL 46 HA VAL 46 -9.905 -1.001 0.848 278 HB VAL 46 HB VAL 46 -7.588 0.388 0.434 279 1HG1 VAL 46 1HG1 VAL 46 -6.213 -0.594 -1.167 280 2HG1 VAL 46 2HG1 VAL 46 -7.389 -1.852 -1.548 281 3HG1 VAL 46 3HG1 VAL 46 -6.502 -1.907 -0.026 282 1HG2 VAL 46 1HG2 VAL 46 -9.405 1.084 -0.769 283 2HG2 VAL 46 2HG2 VAL 46 -9.795 -0.541 -1.333 284 3HG2 VAL 46 3HG2 VAL 46 -8.443 0.338 -2.046 285 H ASN 47 H ASN 47 -8.310 -3.149 2.575 286 HA ASN 47 HA ASN 47 -8.323 -5.214 0.475 287 1HB ASN 47 1HB ASN 47 -6.180 -4.618 1.908 288 1HD2 ASN 47 1HD2 ASN 47 -6.629 -5.753 -0.437 289 2HD2 ASN 47 2HD2 ASN 47 -5.983 -7.354 -0.502 290 H ASP 48 H ASP 48 -9.341 -4.388 3.734 291 HA ASP 48 HA ASP 48 -11.088 -5.123 4.989 292 1HB ASP 48 1HB ASP 48 -12.907 -5.692 3.817 293 H ARG 49 H ARG 49 -8.417 -6.740 4.319 294 HA ARG 49 HA ARG 49 -9.124 -9.308 5.471 295 1HB ARG 49 1HB ARG 49 -7.174 -8.486 3.692 296 1HG ARG 49 1HG ARG 49 -6.147 -10.849 4.420 297 1HD ARG 49 1HD ARG 49 -8.828 -10.706 3.070 298 HE ARG 49 HE ARG 49 -7.172 -12.824 3.308 299 1HH1 ARG 49 1HH1 ARG 49 -8.118 -10.846 0.592 300 2HH1 ARG 49 2HH1 ARG 49 -7.945 -12.128 -0.560 301 1HH2 ARG 49 1HH2 ARG 49 -6.945 -14.509 1.794 302 2HH2 ARG 49 2HH2 ARG 49 -7.281 -14.207 0.122 303 H GLN 50 H GLN 50 -6.490 -7.030 6.236 304 HA GLN 50 HA GLN 50 -7.280 -6.771 8.970 305 1HB GLN 50 1HB GLN 50 -6.318 -9.058 8.985 306 1HG GLN 50 1HG GLN 50 -4.194 -7.641 10.412 307 1HE2 GLN 50 1HE2 GLN 50 -4.721 -10.326 9.871 308 2HE2 GLN 50 2HE2 GLN 50 -5.156 -11.110 11.347 309 H GLY 51 H GLY 51 -4.121 -6.873 7.305 310 1HA GLY 51 1HA GLY 51 -3.802 -4.164 6.830 311 2HA GLY 51 2HA GLY 51 -3.254 -4.426 8.479 312 H PHE 52 H PHE 52 -1.134 -3.824 7.892 313 HA PHE 52 HA PHE 52 1.026 -4.212 7.290 314 1HB PHE 52 1HB PHE 52 -0.071 -7.013 7.320 315 HD1 PHE 52 HD1 PHE 52 -0.790 -5.658 9.555 316 HD2 PHE 52 HD2 PHE 52 3.136 -6.960 8.555 317 HE1 PHE 52 HE1 PHE 52 -0.176 -5.627 11.938 318 HE2 PHE 52 HE2 PHE 52 3.756 -6.931 10.935 319 HZ PHE 52 HZ PHE 52 2.098 -6.264 12.630 320 H VAL 53 H VAL 53 1.676 -3.374 5.423 321 HA VAL 53 HA VAL 53 1.155 -4.858 2.957 322 HB VAL 53 HB VAL 53 0.761 -1.872 3.117 323 1HG1 VAL 53 1HG1 VAL 53 -0.291 -2.253 0.873 324 2HG1 VAL 53 2HG1 VAL 53 0.333 -3.902 0.934 325 3HG1 VAL 53 3HG1 VAL 53 1.449 -2.537 0.936 326 1HG2 VAL 53 1HG2 VAL 53 -1.114 -4.107 3.568 327 2HG2 VAL 53 2HG2 VAL 53 -1.684 -2.814 2.513 328 3HG2 VAL 53 3HG2 VAL 53 -1.162 -2.444 4.156 329 HA PRO 54 HA PRO 54 5.501 -4.200 2.312 330 1HB PRO 54 1HB PRO 54 4.764 -4.154 -0.567 331 1HG PRO 54 1HG PRO 54 3.613 -6.173 -0.526 332 1HD PRO 54 1HD PRO 54 2.066 -4.787 0.486 333 H ALA 55 H ALA 55 3.473 -2.466 -0.064 334 HA ALA 55 HA ALA 55 3.377 -0.265 -0.655 335 1HB ALA 55 1HB ALA 55 4.056 1.425 0.832 336 2HB ALA 55 2HB ALA 55 5.275 0.392 1.580 337 3HB ALA 55 3HB ALA 55 3.561 0.078 1.857 338 H ALA 56 H ALA 56 6.702 -0.791 0.546 339 HA ALA 56 HA ALA 56 8.721 -0.706 -0.507 340 1HB ALA 56 1HB ALA 56 7.251 -0.536 -3.130 341 2HB ALA 56 2HB ALA 56 7.530 -2.051 -2.270 342 3HB ALA 56 3HB ALA 56 8.899 -1.096 -2.840 343 H TYR 57 H TYR 57 6.714 1.291 -2.680 344 HA TYR 57 HA TYR 57 7.952 3.702 -1.642 345 1HB TYR 57 1HB TYR 57 8.441 4.383 -4.113 346 HD1 TYR 57 HD1 TYR 57 9.271 0.783 -3.552 347 HD2 TYR 57 HD2 TYR 57 7.746 3.727 -6.218 348 HE1 TYR 57 HE1 TYR 57 9.140 -0.906 -5.333 349 HE2 TYR 57 HE2 TYR 57 7.610 2.046 -8.007 350 HH TYR 57 HH TYR 57 8.801 -0.179 -8.535 351 H VAL 58 H VAL 58 6.099 2.661 -4.510 352 HA VAL 58 HA VAL 58 4.303 3.638 -5.541 353 HB VAL 58 HB VAL 58 3.357 2.148 -3.774 354 1HG1 VAL 58 1HG1 VAL 58 3.573 2.920 -1.677 355 2HG1 VAL 58 2HG1 VAL 58 2.071 3.772 -2.028 356 3HG1 VAL 58 3HG1 VAL 58 3.612 4.606 -2.185 357 1HG2 VAL 58 1HG2 VAL 58 1.569 4.503 -4.265 358 2HG2 VAL 58 2HG2 VAL 58 1.143 2.795 -4.176 359 3HG2 VAL 58 3HG2 VAL 58 2.055 3.406 -5.555 360 H LYS 59 H LYS 59 6.051 5.639 -5.229 361 HA LYS 59 HA LYS 59 6.121 7.915 -5.392 362 1HB LYS 59 1HB LYS 59 3.262 8.037 -4.445 363 1HG LYS 59 1HG LYS 59 4.215 7.710 -7.282 364 1HD LYS 59 1HD LYS 59 1.369 7.836 -6.363 365 1HE LYS 59 1HE LYS 59 2.472 7.195 -8.755 366 1HZ LYS 59 1HZ LYS 59 2.125 10.114 -8.681 367 2HZ LYS 59 2HZ LYS 59 1.775 9.270 -10.104 368 3HZ LYS 59 3HZ LYS 59 3.328 9.197 -9.438 369 H LYS 60 H LYS 60 6.711 6.389 -2.984 370 HA LYS 60 HA LYS 60 7.373 6.754 -0.841 371 1HB LYS 60 1HB LYS 60 7.076 9.550 -1.870 372 1HG LYS 60 1HG LYS 60 9.137 7.871 -2.073 373 1HD LYS 60 1HD LYS 60 9.126 8.193 0.622 374 1HE LYS 60 1HE LYS 60 9.681 10.632 0.252 375 1HZ LYS 60 1HZ LYS 60 12.200 10.890 -0.070 376 2HZ LYS 60 2HZ LYS 60 11.233 10.692 -1.442 377 3HZ LYS 60 3HZ LYS 60 12.121 9.385 -0.839 378 H LEU 61 H LEU 61 5.083 9.458 -0.990 379 HA LEU 61 HA LEU 61 2.867 8.156 0.110 380 1HB LEU 61 1HB LEU 61 4.254 7.809 2.068 381 HG LEU 61 HG LEU 61 2.069 9.833 2.402 382 1HD1 LEU 61 1HD1 LEU 61 1.302 7.634 1.986 383 2HD1 LEU 61 2HD1 LEU 61 1.113 7.908 3.718 384 3HD1 LEU 61 3HD1 LEU 61 2.460 6.939 3.119 385 1HD2 LEU 61 1HD2 LEU 61 4.134 9.942 4.101 386 2HD2 LEU 61 2HD2 LEU 61 3.225 8.621 4.838 387 3HD2 LEU 61 3HD2 LEU 61 2.461 10.193 4.601 388 H ASP 62 H ASP 62 2.149 9.594 -1.600 389 HA ASP 62 HA ASP 62 2.277 12.434 -1.235 390 1HB ASP 62 1HB ASP 62 0.456 10.859 -3.065 Start of MODEL 10 1 H GLU 7 H GLU 7 -2.573 14.179 -4.257 2 HA GLU 7 HA GLU 7 -2.347 13.186 -6.302 3 1HB GLU 7 1HB GLU 7 -0.071 12.889 -6.999 4 1HG GLU 7 1HG GLU 7 0.497 11.588 -4.759 5 H LEU 8 H LEU 8 -3.462 11.414 -4.438 6 HA LEU 8 HA LEU 8 -3.952 9.214 -4.124 7 1HB LEU 8 1HB LEU 8 -2.487 8.453 -6.603 8 HG LEU 8 HG LEU 8 -3.674 10.675 -7.063 9 1HD1 LEU 8 1HD1 LEU 8 -3.002 8.830 -8.706 10 2HD1 LEU 8 2HD1 LEU 8 -4.221 9.993 -9.226 11 3HD1 LEU 8 3HD1 LEU 8 -4.710 8.383 -8.697 12 1HD2 LEU 8 1HD2 LEU 8 -5.697 9.722 -5.652 13 2HD2 LEU 8 2HD2 LEU 8 -6.180 9.089 -7.226 14 3HD2 LEU 8 3HD2 LEU 8 -5.949 10.823 -7.008 15 H VAL 9 H VAL 9 -2.553 6.894 -4.913 16 HA VAL 9 HA VAL 9 0.107 7.150 -3.744 17 HB VAL 9 HB VAL 9 -1.875 5.137 -2.680 18 1HG1 VAL 9 1HG1 VAL 9 0.594 5.857 -1.224 19 2HG1 VAL 9 2HG1 VAL 9 0.795 4.918 -2.704 20 3HG1 VAL 9 3HG1 VAL 9 -0.211 4.298 -1.395 21 1HG2 VAL 9 1HG2 VAL 9 -0.874 7.643 -1.332 22 2HG2 VAL 9 2HG2 VAL 9 -2.004 6.462 -0.669 23 3HG2 VAL 9 3HG2 VAL 9 -2.475 7.454 -2.047 24 H LEU 10 H LEU 10 -2.307 5.099 -5.312 25 HA LEU 10 HA LEU 10 -2.121 3.490 -6.909 26 1HB LEU 10 1HB LEU 10 0.819 3.920 -7.180 27 HG LEU 10 HG LEU 10 0.089 6.220 -7.125 28 1HD1 LEU 10 1HD1 LEU 10 1.715 5.560 -8.842 29 2HD1 LEU 10 2HD1 LEU 10 0.707 6.910 -9.364 30 3HD1 LEU 10 3HD1 LEU 10 0.391 5.286 -9.975 31 1HD2 LEU 10 1HD2 LEU 10 -2.149 5.166 -8.790 32 2HD2 LEU 10 2HD2 LEU 10 -1.626 6.836 -9.005 33 3HD2 LEU 10 3HD2 LEU 10 -2.188 6.284 -7.428 34 H ALA 11 H ALA 11 -1.248 1.327 -7.261 35 HA ALA 11 HA ALA 11 -0.097 0.237 -4.779 36 1HB ALA 11 1HB ALA 11 -1.077 -1.954 -5.892 37 2HB ALA 11 2HB ALA 11 -2.120 -0.783 -6.698 38 3HB ALA 11 3HB ALA 11 -2.085 -0.866 -4.937 39 H LEU 12 H LEU 12 0.326 0.552 -8.199 40 HA LEU 12 HA LEU 12 1.927 -0.145 -9.656 41 1HB LEU 12 1HB LEU 12 3.437 0.062 -7.069 42 HG LEU 12 HG LEU 12 2.830 2.200 -8.073 43 1HD1 LEU 12 1HD1 LEU 12 5.273 1.505 -7.184 44 2HD1 LEU 12 2HD1 LEU 12 4.835 3.142 -7.673 45 3HD1 LEU 12 3HD1 LEU 12 5.680 2.081 -8.801 46 1HD2 LEU 12 1HD2 LEU 12 4.017 0.958 -10.524 47 2HD2 LEU 12 2HD2 LEU 12 4.000 2.710 -10.319 48 3HD2 LEU 12 3HD2 LEU 12 2.484 1.809 -10.333 49 H TYR 13 H TYR 13 0.293 -2.175 -9.104 50 HA TYR 13 HA TYR 13 0.153 -4.424 -9.458 51 1HB TYR 13 1HB TYR 13 2.530 -3.953 -10.542 52 HD1 TYR 13 HD1 TYR 13 1.381 -5.036 -12.344 53 HD2 TYR 13 HD2 TYR 13 2.421 -7.218 -8.843 54 HE1 TYR 13 HE1 TYR 13 0.873 -7.140 -13.511 55 HE2 TYR 13 HE2 TYR 13 1.916 -9.328 -9.999 56 HH TYR 13 HH TYR 13 1.832 -9.800 -13.012 57 H ASP 14 H ASP 14 0.110 -6.340 -8.221 58 HA ASP 14 HA ASP 14 -0.257 -6.106 -5.531 59 1HB ASP 14 1HB ASP 14 0.805 -8.615 -6.834 60 H TYR 15 H TYR 15 0.927 -6.813 -3.677 61 HA TYR 15 HA TYR 15 3.609 -5.872 -3.640 62 1HB TYR 15 1HB TYR 15 2.325 -5.523 -1.670 63 HD1 TYR 15 HD1 TYR 15 4.947 -5.107 -1.532 64 HD2 TYR 15 HD2 TYR 15 2.952 -8.563 -0.057 65 HE1 TYR 15 HE1 TYR 15 6.834 -5.544 -0.017 66 HE2 TYR 15 HE2 TYR 15 4.832 -9.009 1.463 67 HH TYR 15 HH TYR 15 7.189 -8.491 1.676 68 H GLN 16 H GLN 16 2.353 -9.071 -2.662 69 HA GLN 16 HA GLN 16 4.083 -10.576 -4.275 70 1HB GLN 16 1HB GLN 16 5.885 -9.682 -2.951 71 1HG GLN 16 1HG GLN 16 5.606 -12.295 -1.589 72 1HE2 GLN 16 1HE2 GLN 16 7.641 -13.333 -3.399 73 2HE2 GLN 16 2HE2 GLN 16 9.113 -12.537 -2.972 74 H GLU 17 H GLU 17 2.279 -10.362 -1.271 75 HA GLU 17 HA GLU 17 0.609 -11.713 -0.476 76 1HB GLU 17 1HB GLU 17 1.382 -13.807 -2.511 77 1HG GLU 17 1HG GLU 17 -0.770 -11.728 -2.817 78 H LYS 18 H LYS 18 0.427 -13.713 0.818 79 HA LYS 18 HA LYS 18 3.068 -14.443 1.865 80 1HB LYS 18 1HB LYS 18 1.170 -13.431 3.310 81 1HG LYS 18 1HG LYS 18 1.650 -15.116 5.201 82 1HD LYS 18 1HD LYS 18 2.943 -12.907 4.354 83 1HE LYS 18 1HE LYS 18 4.708 -15.212 3.825 84 1HZ LYS 18 1HZ LYS 18 5.858 -12.722 4.941 85 2HZ LYS 18 2HZ LYS 18 6.670 -14.147 4.525 86 3HZ LYS 18 3HZ LYS 18 5.640 -14.122 5.866 87 H SER 19 H SER 19 -0.087 -16.111 1.698 88 HA SER 19 HA SER 19 0.631 -18.165 -0.006 89 1HB SER 19 1HB SER 19 2.302 -19.033 1.362 90 HG SER 19 HG SER 19 0.923 -20.688 2.751 91 HA PRO 20 HA PRO 20 -3.072 -19.778 2.816 92 1HB PRO 20 1HB PRO 20 -3.957 -17.697 4.472 93 1HG PRO 20 1HG PRO 20 -2.056 -16.401 4.439 94 1HD PRO 20 1HD PRO 20 -0.080 -17.142 3.477 95 H ARG 21 H ARG 21 -3.667 -16.285 3.012 96 HA ARG 21 HA ARG 21 -5.821 -16.616 1.068 97 1HB ARG 21 1HB ARG 21 -5.408 -14.975 3.401 98 1HG ARG 21 1HG ARG 21 -7.939 -14.575 2.076 99 1HD ARG 21 1HD ARG 21 -6.944 -15.764 4.635 100 HE ARG 21 HE ARG 21 -9.773 -15.658 4.535 101 1HH1 ARG 21 1HH1 ARG 21 -7.064 -17.657 3.618 102 2HH1 ARG 21 2HH1 ARG 21 -7.970 -19.132 3.681 103 1HH2 ARG 21 1HH2 ARG 21 -10.967 -17.596 4.619 104 2HH2 ARG 21 2HH2 ARG 21 -10.185 -19.096 4.249 105 H GLU 22 H GLU 22 -3.892 -13.700 1.650 106 HA GLU 22 HA GLU 22 -2.356 -13.779 -0.687 107 1HB GLU 22 1HB GLU 22 -4.517 -13.673 -1.842 108 1HG GLU 22 1HG GLU 22 -2.711 -11.313 -2.030 109 H VAL 23 H VAL 23 -4.348 -11.072 0.491 110 HA VAL 23 HA VAL 23 -3.792 -9.080 1.446 111 HB VAL 23 HB VAL 23 -1.385 -10.545 2.536 112 1HG1 VAL 23 1HG1 VAL 23 -1.537 -8.892 4.354 113 2HG1 VAL 23 2HG1 VAL 23 -2.849 -8.088 3.491 114 3HG1 VAL 23 3HG1 VAL 23 -1.233 -8.141 2.787 115 1HG2 VAL 23 1HG2 VAL 23 -3.252 -10.436 4.551 116 2HG2 VAL 23 2HG2 VAL 23 -2.874 -11.852 3.572 117 3HG2 VAL 23 3HG2 VAL 23 -4.227 -10.811 3.130 118 H THR 24 H THR 24 -3.380 -8.294 -0.744 119 HA THR 24 HA THR 24 -0.742 -7.153 -0.955 120 HB THR 24 HB THR 24 -0.387 -8.012 -3.284 121 HG1 THR 24 HG1 THR 24 -2.690 -9.439 -2.615 122 1HG2 THR 24 1HG2 THR 24 -0.530 -10.337 -1.415 123 2HG2 THR 24 2HG2 THR 24 0.660 -9.052 -1.207 124 3HG2 THR 24 3HG2 THR 24 0.639 -10.004 -2.691 125 H MET 25 H MET 25 -0.608 -5.939 -3.179 126 HA MET 25 HA MET 25 -3.082 -4.391 -3.408 127 1HB MET 25 1HB MET 25 -0.573 -3.520 -4.756 128 1HG MET 25 1HG MET 25 0.108 -4.285 -2.439 129 1HE MET 25 1HE MET 25 -0.758 -0.760 -0.020 130 2HE MET 25 2HE MET 25 0.217 -0.907 -1.481 131 3HE MET 25 3HE MET 25 0.626 -1.853 -0.049 132 H LYS 26 H LYS 26 -2.536 -3.248 -5.955 133 HA LYS 26 HA LYS 26 -2.387 -5.475 -7.817 134 1HB LYS 26 1HB LYS 26 -4.860 -3.806 -7.412 135 1HG LYS 26 1HG LYS 26 -4.918 -5.875 -6.206 136 1HD LYS 26 1HD LYS 26 -3.529 -6.887 -8.533 137 1HE LYS 26 1HE LYS 26 -4.757 -9.193 -8.126 138 1HZ LYS 26 1HZ LYS 26 -6.059 -7.242 -9.925 139 2HZ LYS 26 2HZ LYS 26 -5.844 -8.903 -10.156 140 3HZ LYS 26 3HZ LYS 26 -4.518 -7.859 -10.249 141 H LYS 27 H LYS 27 -2.762 -4.575 -10.148 142 HA LYS 27 HA LYS 27 -0.735 -2.744 -10.693 143 1HB LYS 27 1HB LYS 27 -3.088 -3.279 -12.502 144 1HG LYS 27 1HG LYS 27 -0.834 -5.063 -11.749 145 1HD LYS 27 1HD LYS 27 -0.376 -4.564 -14.095 146 1HE LYS 27 1HE LYS 27 -2.764 -3.898 -14.611 147 1HZ LYS 27 1HZ LYS 27 -3.212 -6.703 -15.353 148 2HZ LYS 27 2HZ LYS 27 -4.339 -5.472 -15.079 149 3HZ LYS 27 3HZ LYS 27 -3.558 -6.212 -13.772 150 H GLY 28 H GLY 28 -0.786 -0.748 -9.818 151 1HA GLY 28 1HA GLY 28 -1.527 1.364 -9.271 152 2HA GLY 28 2HA GLY 28 -2.113 1.358 -10.925 153 H ASP 29 H ASP 29 -3.290 -0.676 -8.290 154 HA ASP 29 HA ASP 29 -5.972 0.356 -8.751 155 1HB ASP 29 1HB ASP 29 -5.474 -2.111 -8.573 156 H ILE 30 H ILE 30 -3.670 1.713 -7.168 157 HA ILE 30 HA ILE 30 -3.427 3.029 -5.334 158 HB ILE 30 HB ILE 30 -6.377 3.155 -4.919 159 1HG1 ILE 30 1HG1 ILE 30 -6.210 3.103 -7.346 160 1HG2 ILE 30 1HG2 ILE 30 -4.022 4.762 -4.380 161 2HG2 ILE 30 2HG2 ILE 30 -5.621 4.817 -3.642 162 3HG2 ILE 30 3HG2 ILE 30 -5.310 5.695 -5.139 163 1HD1 ILE 30 1HD1 ILE 30 -4.223 3.683 -8.204 164 2HD1 ILE 30 2HD1 ILE 30 -3.876 4.827 -6.908 165 3HD1 ILE 30 3HD1 ILE 30 -4.937 5.296 -8.236 166 H LEU 31 H LEU 31 -4.228 3.347 -2.962 167 HA LEU 31 HA LEU 31 -5.431 1.250 -1.550 168 1HB LEU 31 1HB LEU 31 -3.511 0.160 -0.554 169 HG LEU 31 HG LEU 31 -1.262 0.452 -1.848 170 1HD1 LEU 31 1HD1 LEU 31 -2.120 2.122 -3.440 171 2HD1 LEU 31 2HD1 LEU 31 -0.753 2.719 -2.501 172 3HD1 LEU 31 3HD1 LEU 31 -2.391 3.234 -2.098 173 1HD2 LEU 31 1HD2 LEU 31 -1.777 0.853 0.595 174 2HD2 LEU 31 2HD2 LEU 31 -1.964 2.556 0.175 175 3HD2 LEU 31 3HD2 LEU 31 -0.417 1.750 -0.079 176 H THR 32 H THR 32 -4.213 1.332 0.880 177 HA THR 32 HA THR 32 -4.069 4.208 1.509 178 HB THR 32 HB THR 32 -5.367 2.037 3.163 179 HG1 THR 32 HG1 THR 32 -6.405 4.160 1.611 180 1HG2 THR 32 1HG2 THR 32 -6.208 3.980 4.508 181 2HG2 THR 32 2HG2 THR 32 -4.992 4.966 3.697 182 3HG2 THR 32 3HG2 THR 32 -4.496 3.602 4.699 183 H LEU 33 H LEU 33 -2.974 4.696 3.574 184 HA LEU 33 HA LEU 33 -0.799 2.783 4.105 185 1HB LEU 33 1HB LEU 33 -0.584 5.780 4.304 186 HG LEU 33 HG LEU 33 0.844 5.664 2.259 187 1HD1 LEU 33 1HD1 LEU 33 1.081 3.137 2.430 188 2HD1 LEU 33 2HD1 LEU 33 0.821 3.813 0.822 189 3HD1 LEU 33 3HD1 LEU 33 -0.514 3.051 1.684 190 1HD2 LEU 33 1HD2 LEU 33 -1.779 4.794 1.263 191 2HD2 LEU 33 2HD2 LEU 33 -0.892 6.292 0.979 192 3HD2 LEU 33 3HD2 LEU 33 -1.822 6.086 2.463 193 H LEU 34 H LEU 34 -2.274 5.695 5.551 194 HA LEU 34 HA LEU 34 -2.903 6.184 7.681 195 1HB LEU 34 1HB LEU 34 -4.033 3.820 7.187 196 HG LEU 34 HG LEU 34 -4.716 5.697 8.904 197 1HD1 LEU 34 1HD1 LEU 34 -5.803 3.076 9.707 198 2HD1 LEU 34 2HD1 LEU 34 -5.891 3.466 7.989 199 3HD1 LEU 34 3HD1 LEU 34 -6.632 4.539 9.176 200 1HD2 LEU 34 1HD2 LEU 34 -4.719 4.345 11.197 201 2HD2 LEU 34 2HD2 LEU 34 -3.426 5.461 10.759 202 3HD2 LEU 34 3HD2 LEU 34 -3.210 3.728 10.525 203 H ASN 35 H ASN 35 -1.463 7.061 8.998 204 HA ASN 35 HA ASN 35 0.303 7.344 10.402 205 1HB ASN 35 1HB ASN 35 -0.168 4.388 10.795 206 1HD2 ASN 35 1HD2 ASN 35 -1.413 3.895 12.567 207 2HD2 ASN 35 2HD2 ASN 35 -2.362 5.073 13.401 208 H SER 36 H SER 36 1.722 7.958 8.739 209 HA SER 36 HA SER 36 4.028 6.285 8.474 210 1HB SER 36 1HB SER 36 2.179 6.667 6.134 211 HG SER 36 HG SER 36 3.774 4.421 6.646 212 H THR 37 H THR 37 5.734 7.364 7.116 213 HA THR 37 HA THR 37 5.365 10.236 6.767 214 HB THR 37 HB THR 37 7.704 9.225 8.374 215 HG1 THR 37 HG1 THR 37 6.532 9.966 10.206 216 1HG2 THR 37 1HG2 THR 37 7.073 11.736 7.286 217 2HG2 THR 37 2HG2 THR 37 8.387 11.321 8.386 218 3HG2 THR 37 3HG2 THR 37 6.834 11.855 9.030 219 H ASN 38 H ASN 38 8.068 7.906 6.889 220 HA ASN 38 HA ASN 38 8.565 8.383 4.049 221 1HB ASN 38 1HB ASN 38 11.035 8.623 4.566 222 1HD2 ASN 38 1HD2 ASN 38 12.340 9.987 6.189 223 2HD2 ASN 38 2HD2 ASN 38 12.249 9.462 7.833 224 H LYS 39 H LYS 39 9.659 6.638 6.951 225 HA LYS 39 HA LYS 39 9.941 4.231 5.273 226 1HB LYS 39 1HB LYS 39 12.013 5.491 6.519 227 1HG LYS 39 1HG LYS 39 12.119 3.582 4.892 228 1HD LYS 39 1HD LYS 39 12.488 1.688 7.114 229 1HE LYS 39 1HE LYS 39 11.338 0.190 5.502 230 1HZ LYS 39 1HZ LYS 39 13.120 0.756 3.623 231 2HZ LYS 39 2HZ LYS 39 13.519 -0.034 5.063 232 3HZ LYS 39 3HZ LYS 39 13.790 1.628 4.909 233 H ASP 40 H ASP 40 7.922 3.404 5.745 234 HA ASP 40 HA ASP 40 7.670 1.835 8.052 235 1HB ASP 40 1HB ASP 40 5.668 3.053 9.052 236 H TRP 41 H TRP 41 5.465 0.834 8.225 237 HA TRP 41 HA TRP 41 3.982 0.950 5.694 238 1HB TRP 41 1HB TRP 41 3.831 -1.501 5.642 239 HD1 TRP 41 HD1 TRP 41 3.322 -3.295 7.405 240 HE1 TRP 41 HE1 TRP 41 4.566 -4.278 9.431 241 HE3 TRP 41 HE3 TRP 41 7.338 -0.132 7.506 242 HZ2 TRP 41 HZ2 TRP 41 6.936 -3.780 10.882 243 HZ3 TRP 41 HZ3 TRP 41 9.048 -0.454 9.245 244 HH2 TRP 41 HH2 TRP 41 8.850 -2.241 10.897 245 H TRP 42 H TRP 42 4.019 -0.320 9.012 246 HA TRP 42 HA TRP 42 2.396 -0.521 10.587 247 1HB TRP 42 1HB TRP 42 1.571 1.803 8.979 248 HD1 TRP 42 HD1 TRP 42 -0.090 2.333 12.056 249 HE1 TRP 42 HE1 TRP 42 1.423 3.408 13.841 250 HE3 TRP 42 HE3 TRP 42 4.466 1.408 9.927 251 HZ2 TRP 42 HZ2 TRP 42 4.181 3.809 14.288 252 HZ3 TRP 42 HZ3 TRP 42 6.492 2.170 11.098 253 HH2 TRP 42 HH2 TRP 42 6.351 3.346 13.232 254 H LYS 43 H LYS 43 0.168 0.132 7.909 255 HA LYS 43 HA LYS 43 -0.417 -2.517 7.230 256 1HB LYS 43 1HB LYS 43 -2.568 -2.840 8.372 257 1HG LYS 43 1HG LYS 43 -1.994 -0.151 9.438 258 1HD LYS 43 1HD LYS 43 -3.414 -2.208 11.118 259 1HE LYS 43 1HE LYS 43 -3.040 0.707 11.230 260 1HZ LYS 43 1HZ LYS 43 -1.593 -0.124 13.056 261 2HZ LYS 43 2HZ LYS 43 -2.949 -0.867 13.742 262 3HZ LYS 43 3HZ LYS 43 -2.899 0.816 13.583 263 H VAL 44 H VAL 44 -0.752 -1.913 5.166 264 HA VAL 44 HA VAL 44 -1.879 0.397 4.191 265 HB VAL 44 HB VAL 44 -1.759 -2.387 3.063 266 1HG1 VAL 44 1HG1 VAL 44 -3.736 -1.600 2.044 267 2HG1 VAL 44 2HG1 VAL 44 -2.451 -1.339 0.865 268 3HG1 VAL 44 3HG1 VAL 44 -3.069 0.013 1.812 269 1HG2 VAL 44 1HG2 VAL 44 0.035 -1.628 1.844 270 2HG2 VAL 44 2HG2 VAL 44 0.198 -0.667 3.315 271 3HG2 VAL 44 3HG2 VAL 44 -0.516 0.046 1.870 272 H GLU 45 H GLU 45 -3.526 -2.593 5.128 273 HA GLU 45 HA GLU 45 -5.709 -3.080 5.533 274 1HB GLU 45 1HB GLU 45 -5.382 -1.183 7.133 275 1HG GLU 45 1HG GLU 45 -7.969 -2.001 6.035 276 H VAL 46 H VAL 46 -5.039 -2.835 2.834 277 HA VAL 46 HA VAL 46 -7.349 -1.467 1.644 278 HB VAL 46 HB VAL 46 -5.129 -0.913 0.699 279 1HG1 VAL 46 1HG1 VAL 46 -3.780 -2.462 -0.433 280 2HG1 VAL 46 2HG1 VAL 46 -5.043 -3.692 -0.434 281 3HG1 VAL 46 3HG1 VAL 46 -4.227 -3.269 1.071 282 1HG2 VAL 46 1HG2 VAL 46 -6.953 -2.390 -1.195 283 2HG2 VAL 46 2HG2 VAL 46 -5.749 -1.184 -1.648 284 3HG2 VAL 46 3HG2 VAL 46 -7.140 -0.717 -0.670 285 H ASN 47 H ASN 47 -6.001 -4.580 2.289 286 HA ASN 47 HA ASN 47 -7.939 -5.892 0.523 287 1HB ASN 47 1HB ASN 47 -6.662 -7.944 0.953 288 1HD2 ASN 47 1HD2 ASN 47 -4.295 -5.541 1.912 289 2HD2 ASN 47 2HD2 ASN 47 -3.793 -6.340 3.358 290 H ASP 48 H ASP 48 -8.405 -8.244 1.785 291 HA ASP 48 HA ASP 48 -9.836 -7.394 4.212 292 1HB ASP 48 1HB ASP 48 -11.152 -8.208 2.178 293 H ARG 49 H ARG 49 -7.504 -7.835 5.057 294 HA ARG 49 HA ARG 49 -7.610 -10.106 6.697 295 1HB ARG 49 1HB ARG 49 -7.014 -11.085 4.371 296 1HG ARG 49 1HG ARG 49 -5.170 -11.723 6.664 297 1HD ARG 49 1HD ARG 49 -6.161 -13.420 4.379 298 HE ARG 49 HE ARG 49 -5.553 -15.045 5.873 299 1HH1 ARG 49 1HH1 ARG 49 -3.195 -12.475 5.974 300 2HH1 ARG 49 2HH1 ARG 49 -2.098 -13.351 6.988 301 1HH2 ARG 49 1HH2 ARG 49 -4.111 -16.200 7.205 302 2HH2 ARG 49 2HH2 ARG 49 -2.618 -15.466 7.685 303 H GLN 50 H GLN 50 -6.902 -8.982 8.405 304 HA GLN 50 HA GLN 50 -5.510 -7.877 9.817 305 1HB GLN 50 1HB GLN 50 -3.920 -9.629 9.303 306 1HG GLN 50 1HG GLN 50 -1.736 -8.392 9.401 307 1HE2 GLN 50 1HE2 GLN 50 -3.927 -6.259 11.033 308 2HE2 GLN 50 2HE2 GLN 50 -3.766 -6.961 12.603 309 H GLY 51 H GLY 51 -3.641 -7.125 6.894 310 1HA GLY 51 1HA GLY 51 -4.264 -4.982 5.717 311 2HA GLY 51 2HA GLY 51 -4.320 -4.281 7.326 312 H PHE 52 H PHE 52 -1.857 -6.440 7.460 313 HA PHE 52 HA PHE 52 0.185 -4.679 7.817 314 1HB PHE 52 1HB PHE 52 0.027 -7.538 7.100 315 HD1 PHE 52 HD1 PHE 52 -0.812 -6.207 9.555 316 HD2 PHE 52 HD2 PHE 52 3.045 -7.535 8.344 317 HE1 PHE 52 HE1 PHE 52 -0.157 -6.446 11.914 318 HE2 PHE 52 HE2 PHE 52 3.706 -7.777 10.702 319 HZ PHE 52 HZ PHE 52 2.105 -7.232 12.491 320 H VAL 53 H VAL 53 0.389 -6.674 4.895 321 HA VAL 53 HA VAL 53 1.239 -6.212 2.826 322 HB VAL 53 HB VAL 53 -0.157 -3.556 2.963 323 1HG1 VAL 53 1HG1 VAL 53 -0.788 -4.702 0.590 324 2HG1 VAL 53 2HG1 VAL 53 0.805 -5.395 0.886 325 3HG1 VAL 53 3HG1 VAL 53 0.599 -3.645 0.848 326 1HG2 VAL 53 1HG2 VAL 53 -1.538 -6.193 2.483 327 2HG2 VAL 53 2HG2 VAL 53 -2.273 -4.590 2.501 328 3HG2 VAL 53 3HG2 VAL 53 -1.629 -5.282 3.990 329 HA PRO 54 HA PRO 54 4.791 -3.751 4.536 330 1HB PRO 54 1HB PRO 54 6.030 -5.370 2.362 331 1HG PRO 54 1HG PRO 54 5.565 -7.410 3.380 332 1HD PRO 54 1HD PRO 54 3.469 -6.895 2.573 333 H ALA 55 H ALA 55 5.568 -1.867 3.733 334 HA ALA 55 HA ALA 55 4.599 -1.022 1.134 335 1HB ALA 55 1HB ALA 55 5.654 1.189 1.863 336 2HB ALA 55 2HB ALA 55 5.898 0.414 3.428 337 3HB ALA 55 3HB ALA 55 4.267 0.605 2.781 338 H ALA 56 H ALA 56 6.288 -2.901 0.500 339 HA ALA 56 HA ALA 56 8.940 -1.750 0.050 340 1HB ALA 56 1HB ALA 56 8.347 -4.224 0.784 341 2HB ALA 56 2HB ALA 56 9.726 -3.873 -0.257 342 3HB ALA 56 3HB ALA 56 8.216 -4.450 -0.961 343 H TYR 57 H TYR 57 6.737 -0.565 -1.289 344 HA TYR 57 HA TYR 57 7.710 -0.459 -3.927 345 1HB TYR 57 1HB TYR 57 5.939 -2.617 -3.426 346 HD1 TYR 57 HD1 TYR 57 6.294 -4.326 -4.973 347 HD2 TYR 57 HD2 TYR 57 7.255 -0.320 -6.027 348 HE1 TYR 57 HE1 TYR 57 7.381 -5.133 -7.023 349 HE2 TYR 57 HE2 TYR 57 8.345 -1.116 -8.080 350 HH TYR 57 HH TYR 57 9.329 -4.112 -8.594 351 H VAL 58 H VAL 58 5.530 0.388 -5.328 352 HA VAL 58 HA VAL 58 4.146 2.161 -5.662 353 HB VAL 58 HB VAL 58 3.711 2.015 -2.678 354 1HG1 VAL 58 1HG1 VAL 58 2.087 3.279 -4.879 355 2HG1 VAL 58 2HG1 VAL 58 2.910 4.105 -3.556 356 3HG1 VAL 58 3HG1 VAL 58 1.529 3.061 -3.220 357 1HG2 VAL 58 1HG2 VAL 58 2.781 0.359 -4.926 358 2HG2 VAL 58 2HG2 VAL 58 1.536 0.857 -3.783 359 3HG2 VAL 58 3HG2 VAL 58 2.947 -0.036 -3.215 360 H LYS 59 H LYS 59 3.962 4.464 -5.408 361 HA LYS 59 HA LYS 59 6.390 5.790 -5.152 362 1HB LYS 59 1HB LYS 59 4.895 7.876 -4.954 363 1HG LYS 59 1HG LYS 59 2.711 5.979 -5.741 364 1HD LYS 59 1HD LYS 59 1.304 7.936 -5.174 365 1HE LYS 59 1HE LYS 59 3.293 9.021 -7.085 366 1HZ LYS 59 1HZ LYS 59 1.126 10.015 -6.949 367 2HZ LYS 59 2HZ LYS 59 0.369 8.523 -7.199 368 3HZ LYS 59 3HZ LYS 59 1.272 9.230 -8.441 369 H LYS 60 H LYS 60 7.573 6.274 -3.436 370 HA LYS 60 HA LYS 60 6.610 5.915 -0.779 371 1HB LYS 60 1HB LYS 60 8.842 6.698 -0.095 372 1HG LYS 60 1HG LYS 60 8.970 7.628 -2.898 373 1HD LYS 60 1HD LYS 60 11.598 7.513 -2.358 374 1HE LYS 60 1HE LYS 60 10.307 6.748 -4.404 375 1HZ LYS 60 1HZ LYS 60 9.018 4.973 -3.939 376 2HZ LYS 60 2HZ LYS 60 10.018 4.410 -2.696 377 3HZ LYS 60 3HZ LYS 60 10.427 4.109 -4.309 378 H LEU 61 H LEU 61 4.985 7.315 -0.262 379 HA LEU 61 HA LEU 61 5.651 9.881 0.650 380 1HB LEU 61 1HB LEU 61 4.154 11.163 -0.962 381 HG LEU 61 HG LEU 61 4.669 8.745 -2.695 382 1HD1 LEU 61 1HD1 LEU 61 2.644 8.256 -1.827 383 2HD1 LEU 61 2HD1 LEU 61 2.095 9.382 -3.066 384 3HD1 LEU 61 3HD1 LEU 61 2.295 9.932 -1.402 385 1HD2 LEU 61 1HD2 LEU 61 3.269 11.088 -3.799 386 2HD2 LEU 61 2HD2 LEU 61 4.406 9.977 -4.563 387 3HD2 LEU 61 3HD2 LEU 61 5.001 11.284 -3.541 388 H ASP 62 H ASP 62 3.559 11.188 1.130 389 HA ASP 62 HA ASP 62 1.594 11.301 2.270 390 1HB ASP 62 1HB ASP 62 0.874 10.236 0.004 Start of MODEL 11 1 H GLU 7 H GLU 7 -5.012 11.742 0.886 2 HA GLU 7 HA GLU 7 -3.004 11.958 -1.142 3 1HB GLU 7 1HB GLU 7 -3.139 10.926 1.645 4 1HG GLU 7 1HG GLU 7 -1.190 12.272 1.988 5 H LEU 8 H LEU 8 -1.766 10.128 -1.978 6 HA LEU 8 HA LEU 8 -2.997 7.521 -1.961 7 1HB LEU 8 1HB LEU 8 -3.014 7.562 -4.558 8 HG LEU 8 HG LEU 8 -3.601 9.568 -5.651 9 1HD1 LEU 8 1HD1 LEU 8 -3.304 11.322 -3.291 10 2HD1 LEU 8 2HD1 LEU 8 -4.776 10.358 -3.396 11 3HD1 LEU 8 3HD1 LEU 8 -4.357 11.475 -4.696 12 1HD2 LEU 8 1HD2 LEU 8 -1.612 10.769 -5.617 13 2HD2 LEU 8 2HD2 LEU 8 -1.139 9.180 -5.015 14 3HD2 LEU 8 3HD2 LEU 8 -1.375 10.516 -3.887 15 H VAL 9 H VAL 9 -1.654 5.883 -2.833 16 HA VAL 9 HA VAL 9 1.127 6.751 -3.252 17 HB VAL 9 HB VAL 9 0.125 4.138 -2.107 18 1HG1 VAL 9 1HG1 VAL 9 2.568 3.782 -1.604 19 2HG1 VAL 9 2HG1 VAL 9 2.909 5.118 -2.703 20 3HG1 VAL 9 3HG1 VAL 9 2.121 3.660 -3.305 21 1HG2 VAL 9 1HG2 VAL 9 1.204 4.926 -0.039 22 2HG2 VAL 9 2HG2 VAL 9 -0.119 5.976 -0.550 23 3HG2 VAL 9 3HG2 VAL 9 1.552 6.465 -0.828 24 H LEU 10 H LEU 10 0.081 3.451 -3.836 25 HA LEU 10 HA LEU 10 -0.655 3.414 -6.455 26 1HB LEU 10 1HB LEU 10 2.090 4.254 -6.209 27 HG LEU 10 HG LEU 10 0.565 5.272 -7.828 28 1HD1 LEU 10 1HD1 LEU 10 2.632 3.919 -9.494 29 2HD1 LEU 10 2HD1 LEU 10 3.141 4.948 -8.156 30 3HD1 LEU 10 3HD1 LEU 10 2.149 5.614 -9.452 31 1HD2 LEU 10 1HD2 LEU 10 -0.577 4.149 -9.411 32 2HD2 LEU 10 2HD2 LEU 10 -0.326 2.775 -8.333 33 3HD2 LEU 10 3HD2 LEU 10 0.745 3.021 -9.713 34 H ALA 11 H ALA 11 1.969 1.933 -4.556 35 HA ALA 11 HA ALA 11 2.372 -0.211 -3.908 36 1HB ALA 11 1HB ALA 11 0.417 -0.600 -2.831 37 2HB ALA 11 2HB ALA 11 0.204 -1.751 -4.150 38 3HB ALA 11 3HB ALA 11 -0.569 -0.169 -4.228 39 H LEU 12 H LEU 12 3.123 0.483 -6.469 40 HA LEU 12 HA LEU 12 2.241 -1.168 -8.532 41 1HB LEU 12 1HB LEU 12 4.608 -0.843 -9.455 42 HG LEU 12 HG LEU 12 6.138 0.569 -8.532 43 1HD1 LEU 12 1HD1 LEU 12 5.414 2.581 -7.961 44 2HD1 LEU 12 2HD1 LEU 12 5.064 1.928 -6.362 45 3HD1 LEU 12 3HD1 LEU 12 3.802 1.971 -7.590 46 1HD2 LEU 12 1HD2 LEU 12 6.567 -0.010 -6.248 47 2HD2 LEU 12 2HD2 LEU 12 5.908 -1.424 -7.068 48 3HD2 LEU 12 3HD2 LEU 12 4.884 -0.470 -5.995 49 H TYR 13 H TYR 13 3.233 -3.029 -9.500 50 HA TYR 13 HA TYR 13 4.247 -5.076 -9.530 51 1HB TYR 13 1HB TYR 13 5.914 -3.680 -7.847 52 HD1 TYR 13 HD1 TYR 13 8.170 -4.233 -8.244 53 HD2 TYR 13 HD2 TYR 13 5.131 -7.102 -9.037 54 HE1 TYR 13 HE1 TYR 13 9.820 -5.658 -9.380 55 HE2 TYR 13 HE2 TYR 13 6.774 -8.536 -10.173 56 HH TYR 13 HH TYR 13 9.149 -7.980 -11.426 57 H ASP 14 H ASP 14 1.973 -4.028 -7.339 58 HA ASP 14 HA ASP 14 0.542 -5.035 -5.872 59 1HB ASP 14 1HB ASP 14 -0.591 -6.991 -6.814 60 H TYR 15 H TYR 15 1.628 -5.410 -3.990 61 HA TYR 15 HA TYR 15 3.417 -7.617 -3.662 62 1HB TYR 15 1HB TYR 15 3.366 -5.374 -2.363 63 HD1 TYR 15 HD1 TYR 15 5.667 -5.901 -2.106 64 HD2 TYR 15 HD2 TYR 15 2.722 -8.224 -0.098 65 HE1 TYR 15 HE1 TYR 15 7.432 -6.984 -0.781 66 HE2 TYR 15 HE2 TYR 15 4.480 -9.314 1.233 67 HH TYR 15 HH TYR 15 6.888 -9.769 1.080 68 H GLN 16 H GLN 16 2.824 -9.654 -3.491 69 HA GLN 16 HA GLN 16 0.118 -10.341 -2.688 70 1HB GLN 16 1HB GLN 16 0.635 -12.568 -3.446 71 1HG GLN 16 1HG GLN 16 3.443 -11.684 -3.193 72 1HE2 GLN 16 1HE2 GLN 16 1.983 -14.443 -4.856 73 2HE2 GLN 16 2HE2 GLN 16 2.979 -14.346 -6.264 74 H GLU 17 H GLU 17 0.509 -12.824 -1.519 75 HA GLU 17 HA GLU 17 1.574 -12.027 1.094 76 1HB GLU 17 1HB GLU 17 0.180 -13.764 2.037 77 1HG GLU 17 1HG GLU 17 0.023 -14.710 -0.732 78 H LYS 18 H LYS 18 3.607 -12.644 1.442 79 HA LYS 18 HA LYS 18 4.323 -15.430 1.122 80 1HB LYS 18 1HB LYS 18 4.836 -14.414 -1.090 81 1HG LYS 18 1HG LYS 18 6.504 -16.053 0.398 82 1HD LYS 18 1HD LYS 18 7.886 -13.756 0.369 83 1HE LYS 18 1HE LYS 18 9.239 -15.095 -1.885 84 1HZ LYS 18 1HZ LYS 18 8.761 -12.241 -1.219 85 2HZ LYS 18 2HZ LYS 18 9.781 -12.815 -2.440 86 3HZ LYS 18 3HZ LYS 18 10.148 -13.122 -0.818 87 H SER 19 H SER 19 4.057 -13.309 3.242 88 HA SER 19 HA SER 19 6.020 -14.136 4.982 89 1HB SER 19 1HB SER 19 7.823 -13.165 3.907 90 HG SER 19 HG SER 19 7.939 -12.211 5.878 91 HA PRO 20 HA PRO 20 4.195 -10.017 6.799 92 1HB PRO 20 1HB PRO 20 2.464 -8.678 5.120 93 1HG PRO 20 1HG PRO 20 2.887 -9.808 3.152 94 1HD PRO 20 1HD PRO 20 4.655 -11.273 2.941 95 H ARG 21 H ARG 21 1.749 -10.814 4.330 96 HA ARG 21 HA ARG 21 0.298 -12.663 5.832 97 1HB ARG 21 1HB ARG 21 0.047 -10.210 7.001 98 1HG ARG 21 1HG ARG 21 -2.432 -11.786 7.100 99 1HD ARG 21 1HD ARG 21 -0.581 -11.410 9.388 100 HE ARG 21 HE ARG 21 -3.252 -12.030 9.180 101 1HH1 ARG 21 1HH1 ARG 21 -1.356 -9.597 10.810 102 2HH1 ARG 21 2HH1 ARG 21 -2.471 -9.428 12.123 103 1HH2 ARG 21 1HH2 ARG 21 -4.720 -11.811 10.907 104 2HH2 ARG 21 2HH2 ARG 21 -4.381 -10.686 12.179 105 H GLU 22 H GLU 22 -2.308 -12.129 5.099 106 HA GLU 22 HA GLU 22 -2.189 -12.660 2.274 107 1HB GLU 22 1HB GLU 22 -4.579 -12.377 4.100 108 1HG GLU 22 1HG GLU 22 -4.482 -14.990 3.476 109 H VAL 23 H VAL 23 -1.360 -10.610 1.538 110 HA VAL 23 HA VAL 23 -3.503 -8.626 1.222 111 HB VAL 23 HB VAL 23 -1.858 -6.797 1.425 112 1HG1 VAL 23 1HG1 VAL 23 -1.728 -8.410 3.946 113 2HG1 VAL 23 2HG1 VAL 23 -3.263 -7.774 3.353 114 3HG1 VAL 23 3HG1 VAL 23 -1.944 -6.672 3.745 115 1HG2 VAL 23 1HG2 VAL 23 0.272 -7.595 2.771 116 2HG2 VAL 23 2HG2 VAL 23 0.250 -7.579 1.008 117 3HG2 VAL 23 3HG2 VAL 23 -0.017 -9.088 1.880 118 H THR 24 H THR 24 -3.735 -7.835 -0.790 119 HA THR 24 HA THR 24 -1.604 -8.345 -2.753 120 HB THR 24 HB THR 24 -4.551 -8.700 -3.317 121 HG1 THR 24 HG1 THR 24 -2.562 -10.637 -2.757 122 1HG2 THR 24 1HG2 THR 24 -2.114 -8.886 -4.954 123 2HG2 THR 24 2HG2 THR 24 -3.770 -8.498 -5.414 124 3HG2 THR 24 3HG2 THR 24 -3.295 -10.177 -5.162 125 H MET 25 H MET 25 -1.598 -6.915 -4.581 126 HA MET 25 HA MET 25 -3.345 -4.598 -4.490 127 1HB MET 25 1HB MET 25 -0.373 -4.126 -4.443 128 1HG MET 25 1HG MET 25 -2.245 -4.178 -2.093 129 1HE MET 25 1HE MET 25 1.728 -4.185 -1.724 130 2HE MET 25 2HE MET 25 2.034 -2.485 -2.080 131 3HE MET 25 3HE MET 25 1.345 -3.535 -3.318 132 H LYS 26 H LYS 26 -3.601 -6.265 -6.429 133 HA LYS 26 HA LYS 26 -2.014 -6.504 -8.595 134 1HB LYS 26 1HB LYS 26 -4.628 -7.002 -8.117 135 1HG LYS 26 1HG LYS 26 -4.836 -7.779 -10.447 136 1HD LYS 26 1HD LYS 26 -2.418 -8.977 -10.354 137 1HE LYS 26 1HE LYS 26 -4.618 -9.603 -8.393 138 1HZ LYS 26 1HZ LYS 26 -3.937 -11.917 -9.049 139 2HZ LYS 26 2HZ LYS 26 -2.823 -11.070 -8.101 140 3HZ LYS 26 3HZ LYS 26 -2.562 -11.236 -9.763 141 H LYS 27 H LYS 27 -0.900 -5.178 -9.842 142 HA LYS 27 HA LYS 27 -0.148 -3.298 -10.880 143 1HB LYS 27 1HB LYS 27 -3.062 -3.384 -11.378 144 1HG LYS 27 1HG LYS 27 -2.391 -3.239 -13.704 145 1HD LYS 27 1HD LYS 27 -1.017 -5.214 -11.931 146 1HE LYS 27 1HE LYS 27 -0.652 -4.886 -14.889 147 1HZ LYS 27 1HZ LYS 27 -0.299 -7.385 -13.328 148 2HZ LYS 27 2HZ LYS 27 0.203 -7.150 -14.926 149 3HZ LYS 27 3HZ LYS 27 -1.445 -7.132 -14.545 150 H GLY 28 H GLY 28 -0.413 -0.795 -10.977 151 1HA GLY 28 1HA GLY 28 -0.320 0.120 -8.234 152 2HA GLY 28 2HA GLY 28 0.080 1.059 -9.665 153 H ASP 29 H ASP 29 -2.798 -0.523 -8.270 154 HA ASP 29 HA ASP 29 -4.420 1.733 -9.186 155 1HB ASP 29 1HB ASP 29 -5.111 -1.027 -8.186 156 H ILE 30 H ILE 30 -2.570 1.959 -6.933 157 HA ILE 30 HA ILE 30 -2.454 2.743 -4.805 158 HB ILE 30 HB ILE 30 -5.205 3.805 -4.769 159 1HG1 ILE 30 1HG1 ILE 30 -4.841 3.973 -7.155 160 1HG2 ILE 30 1HG2 ILE 30 -2.827 4.330 -3.505 161 2HG2 ILE 30 2HG2 ILE 30 -4.241 5.384 -3.518 162 3HG2 ILE 30 3HG2 ILE 30 -2.941 5.638 -4.680 163 1HD1 ILE 30 1HD1 ILE 30 -2.107 4.788 -6.386 164 2HD1 ILE 30 2HD1 ILE 30 -2.835 5.578 -7.784 165 3HD1 ILE 30 3HD1 ILE 30 -2.664 3.823 -7.751 166 H LEU 31 H LEU 31 -3.833 2.937 -2.639 167 HA LEU 31 HA LEU 31 -5.768 0.872 -2.229 168 1HB LEU 31 1HB LEU 31 -4.337 -0.435 -0.638 169 HG LEU 31 HG LEU 31 -1.928 -0.489 -0.950 170 1HD1 LEU 31 1HD1 LEU 31 -2.133 0.572 -3.301 171 2HD1 LEU 31 2HD1 LEU 31 -0.711 0.912 -2.319 172 3HD1 LEU 31 3HD1 LEU 31 -2.004 2.102 -2.435 173 1HD2 LEU 31 1HD2 LEU 31 -1.389 1.257 0.457 174 2HD2 LEU 31 2HD2 LEU 31 -3.121 1.074 0.730 175 3HD2 LEU 31 3HD2 LEU 31 -2.524 2.365 -0.311 176 H THR 32 H THR 32 -5.021 3.794 -1.580 177 HA THR 32 HA THR 32 -5.279 5.283 0.125 178 HB THR 32 HB THR 32 -6.984 3.315 1.588 179 HG1 THR 32 HG1 THR 32 -8.537 3.379 0.071 180 1HG2 THR 32 1HG2 THR 32 -7.495 5.235 2.591 181 2HG2 THR 32 2HG2 THR 32 -8.461 5.553 1.150 182 3HG2 THR 32 3HG2 THR 32 -6.830 6.211 1.280 183 H LEU 33 H LEU 33 -5.330 5.421 2.705 184 HA LEU 33 HA LEU 33 -4.021 3.491 4.237 185 1HB LEU 33 1HB LEU 33 -1.798 4.826 4.421 186 HG LEU 33 HG LEU 33 -2.785 5.709 1.724 187 1HD1 LEU 33 1HD1 LEU 33 -1.787 7.828 2.411 188 2HD1 LEU 33 2HD1 LEU 33 -1.264 7.095 3.928 189 3HD1 LEU 33 3HD1 LEU 33 -2.984 7.273 3.583 190 1HD2 LEU 33 1HD2 LEU 33 -0.834 4.758 0.985 191 2HD2 LEU 33 2HD2 LEU 33 -0.020 4.957 2.537 192 3HD2 LEU 33 3HD2 LEU 33 -0.253 6.348 1.479 193 H LEU 34 H LEU 34 -3.217 4.361 6.328 194 HA LEU 34 HA LEU 34 -4.803 6.710 7.081 195 1HB LEU 34 1HB LEU 34 -3.581 4.587 8.848 196 HG LEU 34 HG LEU 34 -6.348 4.820 7.708 197 1HD1 LEU 34 1HD1 LEU 34 -6.000 2.294 7.679 198 2HD1 LEU 34 2HD1 LEU 34 -4.310 2.642 8.037 199 3HD1 LEU 34 3HD1 LEU 34 -5.040 3.255 6.553 200 1HD2 LEU 34 1HD2 LEU 34 -7.039 3.192 9.490 201 2HD2 LEU 34 2HD2 LEU 34 -6.779 4.845 10.045 202 3HD2 LEU 34 3HD2 LEU 34 -5.556 3.612 10.349 203 H ASN 35 H ASN 35 -2.295 7.033 5.755 204 HA ASN 35 HA ASN 35 -0.433 8.333 5.881 205 1HB ASN 35 1HB ASN 35 -1.446 9.120 8.621 206 1HD2 ASN 35 1HD2 ASN 35 -1.729 11.793 7.938 207 2HD2 ASN 35 2HD2 ASN 35 -3.094 11.957 6.891 208 H SER 36 H SER 36 1.650 7.895 6.326 209 HA SER 36 HA SER 36 2.184 5.911 8.426 210 1HB SER 36 1HB SER 36 4.044 6.670 6.171 211 HG SER 36 HG SER 36 3.011 4.421 5.535 212 H THR 37 H THR 37 4.814 6.168 8.886 213 HA THR 37 HA THR 37 5.820 8.763 9.224 214 HB THR 37 HB THR 37 5.524 8.446 11.914 215 HG1 THR 37 HG1 THR 37 3.895 7.202 12.278 216 1HG2 THR 37 1HG2 THR 37 4.825 10.356 10.125 217 2HG2 THR 37 2HG2 THR 37 4.484 10.418 11.854 218 3HG2 THR 37 3HG2 THR 37 3.248 9.848 10.732 219 H ASN 38 H ASN 38 7.350 7.060 8.314 220 HA ASN 38 HA ASN 38 9.374 6.567 10.208 221 1HB ASN 38 1HB ASN 38 7.995 4.745 10.978 222 1HD2 ASN 38 1HD2 ASN 38 8.547 2.195 10.600 223 2HD2 ASN 38 2HD2 ASN 38 10.249 1.903 10.595 224 H LYS 39 H LYS 39 8.816 4.169 7.708 225 HA LYS 39 HA LYS 39 9.871 5.405 5.481 226 1HB LYS 39 1HB LYS 39 11.862 5.164 7.445 227 1HG LYS 39 1HG LYS 39 12.710 5.349 4.618 228 1HD LYS 39 1HD LYS 39 13.247 6.807 7.185 229 1HE LYS 39 1HE LYS 39 13.000 8.331 5.114 230 1HZ LYS 39 1HZ LYS 39 14.282 6.876 3.620 231 2HZ LYS 39 2HZ LYS 39 15.667 7.160 4.546 232 3HZ LYS 39 3HZ LYS 39 14.928 8.437 3.719 233 H ASP 40 H ASP 40 8.012 3.369 6.127 234 HA ASP 40 HA ASP 40 8.436 1.537 4.090 235 1HB ASP 40 1HB ASP 40 8.800 -0.550 5.514 236 H TRP 41 H TRP 41 6.260 2.121 3.821 237 HA TRP 41 HA TRP 41 3.998 2.063 4.118 238 1HB TRP 41 1HB TRP 41 3.120 -0.226 4.608 239 HD1 TRP 41 HD1 TRP 41 6.657 -1.390 3.819 240 HE1 TRP 41 HE1 TRP 41 7.399 -3.077 5.615 241 HE3 TRP 41 HE3 TRP 41 2.763 -0.859 7.091 242 HZ2 TRP 41 HZ2 TRP 41 6.460 -4.053 8.092 243 HZ3 TRP 41 HZ3 TRP 41 2.762 -2.206 9.149 244 HH2 TRP 41 HH2 TRP 41 4.572 -3.770 9.637 245 H TRP 42 H TRP 42 2.226 1.020 5.801 246 HA TRP 42 HA TRP 42 2.752 0.959 8.518 247 1HB TRP 42 1HB TRP 42 2.887 3.628 7.441 248 HD1 TRP 42 HD1 TRP 42 5.180 4.087 8.485 249 HE1 TRP 42 HE1 TRP 42 6.185 3.944 10.849 250 HE3 TRP 42 HE3 TRP 42 1.221 1.961 10.922 251 HZ2 TRP 42 HZ2 TRP 42 5.403 3.047 13.409 252 HZ3 TRP 42 HZ3 TRP 42 1.432 1.492 13.328 253 HH2 TRP 42 HH2 TRP 42 3.481 2.023 14.545 254 H LYS 43 H LYS 43 1.138 -0.620 8.231 255 HA LYS 43 HA LYS 43 -0.971 -1.461 8.307 256 1HB LYS 43 1HB LYS 43 -1.152 1.190 9.567 257 1HG LYS 43 1HG LYS 43 -1.852 -1.612 10.246 258 1HD LYS 43 1HD LYS 43 -2.800 0.526 12.072 259 1HE LYS 43 1HE LYS 43 -4.349 -1.131 12.777 260 1HZ LYS 43 1HZ LYS 43 -2.922 -2.634 13.673 261 2HZ LYS 43 2HZ LYS 43 -1.788 -1.496 13.142 262 3HZ LYS 43 3HZ LYS 43 -2.078 -2.890 12.229 263 H VAL 44 H VAL 44 -0.422 -1.302 5.842 264 HA VAL 44 HA VAL 44 -2.026 0.538 4.326 265 HB VAL 44 HB VAL 44 -0.486 -1.922 3.476 266 1HG1 VAL 44 1HG1 VAL 44 -2.314 -0.156 1.999 267 2HG1 VAL 44 2HG1 VAL 44 -1.794 -1.804 1.649 268 3HG1 VAL 44 3HG1 VAL 44 -0.756 -0.445 1.222 269 1HG2 VAL 44 1HG2 VAL 44 0.178 0.932 3.823 270 2HG2 VAL 44 2HG2 VAL 44 0.795 0.161 2.361 271 3HG2 VAL 44 3HG2 VAL 44 1.204 -0.498 3.945 272 H GLU 45 H GLU 45 -4.123 0.105 5.197 273 HA GLU 45 HA GLU 45 -5.274 -2.501 4.494 274 1HB GLU 45 1HB GLU 45 -6.335 -0.291 6.263 275 1HG GLU 45 1HG GLU 45 -6.155 -2.713 7.652 276 H VAL 46 H VAL 46 -5.867 -2.439 2.399 277 HA VAL 46 HA VAL 46 -6.762 -0.203 0.979 278 HB VAL 46 HB VAL 46 -7.604 -3.033 0.372 279 1HG1 VAL 46 1HG1 VAL 46 -7.473 -2.234 -1.962 280 2HG1 VAL 46 2HG1 VAL 46 -7.097 -0.618 -1.362 281 3HG1 VAL 46 3HG1 VAL 46 -8.661 -1.352 -1.002 282 1HG2 VAL 46 1HG2 VAL 46 -4.935 -1.941 0.517 283 2HG2 VAL 46 2HG2 VAL 46 -5.319 -2.463 -1.122 284 3HG2 VAL 46 3HG2 VAL 46 -5.457 -3.599 0.221 285 H ASN 47 H ASN 47 -8.460 -2.447 3.039 286 HA ASN 47 HA ASN 47 -10.800 -0.733 2.985 287 1HB ASN 47 1HB ASN 47 -10.826 -3.590 2.037 288 1HD2 ASN 47 1HD2 ASN 47 -10.911 -3.627 -0.079 289 2HD2 ASN 47 2HD2 ASN 47 -11.506 -2.368 -1.101 290 H ASP 48 H ASP 48 -9.717 -3.940 4.114 291 HA ASP 48 HA ASP 48 -9.568 -3.259 6.819 292 1HB ASP 48 1HB ASP 48 -11.597 -4.397 7.687 293 H ARG 49 H ARG 49 -8.917 -4.994 8.123 294 HA ARG 49 HA ARG 49 -8.119 -7.052 8.656 295 1HB ARG 49 1HB ARG 49 -9.583 -8.610 8.038 296 1HG ARG 49 1HG ARG 49 -7.657 -9.371 6.537 297 1HD ARG 49 1HD ARG 49 -9.516 -8.126 4.528 298 HE ARG 49 HE ARG 49 -9.029 -9.925 3.224 299 1HH1 ARG 49 1HH1 ARG 49 -6.221 -9.188 5.164 300 2HH1 ARG 49 2HH1 ARG 49 -5.220 -10.365 4.382 301 1HH2 ARG 49 1HH2 ARG 49 -7.713 -11.474 2.198 302 2HH2 ARG 49 2HH2 ARG 49 -6.066 -11.662 2.698 303 H GLN 50 H GLN 50 -7.252 -5.308 5.923 304 HA GLN 50 HA GLN 50 -5.017 -7.054 5.240 305 1HB GLN 50 1HB GLN 50 -5.657 -4.379 4.005 306 1HG GLN 50 1HG GLN 50 -7.595 -6.051 3.897 307 1HE2 GLN 50 1HE2 GLN 50 -8.333 -7.357 1.774 308 2HE2 GLN 50 2HE2 GLN 50 -7.394 -8.782 1.507 309 H GLY 51 H GLY 51 -3.085 -5.256 4.502 310 1HA GLY 51 1HA GLY 51 -2.138 -3.174 5.656 311 2HA GLY 51 2HA GLY 51 -2.311 -4.132 7.117 312 H PHE 52 H PHE 52 0.123 -3.105 6.473 313 HA PHE 52 HA PHE 52 2.315 -3.673 6.291 314 1HB PHE 52 1HB PHE 52 1.178 -6.462 6.537 315 HD1 PHE 52 HD1 PHE 52 -0.202 -4.883 8.245 316 HD2 PHE 52 HD2 PHE 52 3.883 -6.011 8.616 317 HE1 PHE 52 HE1 PHE 52 -0.316 -4.485 10.670 318 HE2 PHE 52 HE2 PHE 52 3.777 -5.616 11.042 319 HZ PHE 52 HZ PHE 52 1.675 -4.852 12.073 320 H VAL 53 H VAL 53 3.115 -3.109 4.371 321 HA VAL 53 HA VAL 53 3.262 -5.089 2.274 322 HB VAL 53 HB VAL 53 2.351 -3.681 0.503 323 1HG1 VAL 53 1HG1 VAL 53 0.897 -5.293 1.704 324 2HG1 VAL 53 2HG1 VAL 53 0.014 -3.934 1.007 325 3HG1 VAL 53 3HG1 VAL 53 0.350 -3.974 2.738 326 1HG2 VAL 53 1HG2 VAL 53 2.174 -1.710 2.692 327 2HG2 VAL 53 2HG2 VAL 53 0.820 -1.741 1.564 328 3HG2 VAL 53 3HG2 VAL 53 2.458 -1.473 0.967 329 HA PRO 54 HA PRO 54 7.228 -2.881 2.535 330 1HB PRO 54 1HB PRO 54 7.928 -4.964 0.540 331 1HG PRO 54 1HG PRO 54 7.341 -6.773 1.877 332 1HD PRO 54 1HD PRO 54 5.261 -6.003 1.196 333 H ALA 55 H ALA 55 6.537 -1.006 1.450 334 HA ALA 55 HA ALA 55 5.914 -0.847 -1.282 335 1HB ALA 55 1HB ALA 55 5.309 0.934 0.217 336 2HB ALA 55 2HB ALA 55 6.378 1.577 -1.029 337 3HB ALA 55 3HB ALA 55 7.004 1.254 0.589 338 H ALA 56 H ALA 56 7.428 -2.024 -2.472 339 HA ALA 56 HA ALA 56 10.184 -1.879 -2.340 340 1HB ALA 56 1HB ALA 56 9.181 -3.568 -3.671 341 2HB ALA 56 2HB ALA 56 10.131 -2.560 -4.763 342 3HB ALA 56 3HB ALA 56 8.379 -2.379 -4.696 343 H TYR 57 H TYR 57 8.543 -0.428 -5.128 344 HA TYR 57 HA TYR 57 10.082 2.038 -4.708 345 1HB TYR 57 1HB TYR 57 10.453 2.093 -7.216 346 HD1 TYR 57 HD1 TYR 57 10.752 -1.505 -6.464 347 HD2 TYR 57 HD2 TYR 57 8.841 1.452 -8.854 348 HE1 TYR 57 HE1 TYR 57 9.888 -3.268 -7.944 349 HE2 TYR 57 HE2 TYR 57 7.969 -0.303 -10.339 350 HH TYR 57 HH TYR 57 7.479 -2.680 -10.293 351 H VAL 58 H VAL 58 8.372 3.303 -4.158 352 HA VAL 58 HA VAL 58 6.336 3.703 -6.243 353 HB VAL 58 HB VAL 58 5.544 4.027 -3.383 354 1HG1 VAL 58 1HG1 VAL 58 3.498 2.891 -4.870 355 2HG1 VAL 58 2HG1 VAL 58 4.290 3.995 -5.989 356 3HG1 VAL 58 3HG1 VAL 58 3.677 4.592 -4.449 357 1HG2 VAL 58 1HG2 VAL 58 4.596 1.558 -3.830 358 2HG2 VAL 58 2HG2 VAL 58 6.126 1.868 -3.010 359 3HG2 VAL 58 3HG2 VAL 58 6.112 1.454 -4.724 360 H LYS 59 H LYS 59 5.123 5.798 -5.898 361 HA LYS 59 HA LYS 59 7.045 7.913 -5.565 362 1HB LYS 59 1HB LYS 59 5.253 9.387 -6.317 363 1HG LYS 59 1HG LYS 59 3.535 7.059 -5.693 364 1HD LYS 59 1HD LYS 59 3.456 8.524 -8.240 365 1HE LYS 59 1HE LYS 59 0.802 8.048 -7.947 366 1HZ LYS 59 1HZ LYS 59 0.579 10.258 -8.295 367 2HZ LYS 59 2HZ LYS 59 2.238 10.151 -8.608 368 3HZ LYS 59 3HZ LYS 59 1.697 10.692 -7.100 369 H LYS 60 H LYS 60 6.941 9.618 -4.084 370 HA LYS 60 HA LYS 60 6.618 10.622 -2.073 371 1HB LYS 60 1HB LYS 60 4.279 10.788 -2.777 372 1HG LYS 60 1HG LYS 60 3.256 10.276 -0.334 373 1HD LYS 60 1HD LYS 60 3.962 12.484 -1.743 374 1HE LYS 60 1HE LYS 60 5.823 12.211 0.564 375 1HZ LYS 60 1HZ LYS 60 4.171 14.265 0.682 376 2HZ LYS 60 2HZ LYS 60 5.307 14.911 -0.392 377 3HZ LYS 60 3HZ LYS 60 5.798 14.379 1.136 378 H LEU 61 H LEU 61 4.845 7.605 -1.425 379 HA LEU 61 HA LEU 61 5.162 5.957 0.109 380 1HB LEU 61 1HB LEU 61 7.432 6.037 -1.268 381 HG LEU 61 HG LEU 61 6.377 4.084 0.179 382 1HD1 LEU 61 1HD1 LEU 61 7.913 3.820 -1.709 383 2HD1 LEU 61 2HD1 LEU 61 8.298 2.708 -0.396 384 3HD1 LEU 61 3HD1 LEU 61 9.277 4.155 -0.643 385 1HD2 LEU 61 1HD2 LEU 61 7.009 4.542 2.343 386 2HD2 LEU 61 2HD2 LEU 61 8.573 5.200 1.862 387 3HD2 LEU 61 3HD2 LEU 61 8.300 3.457 1.831 388 H ASP 62 H ASP 62 4.610 8.635 1.026 389 HA ASP 62 HA ASP 62 6.171 9.372 3.241 390 1HB ASP 62 1HB ASP 62 4.154 10.562 1.958 Start of MODEL 12 1 H GLU 7 H GLU 7 -1.887 13.923 -7.625 2 HA GLU 7 HA GLU 7 -3.469 11.770 -6.793 3 1HB GLU 7 1HB GLU 7 -1.325 11.998 -8.401 4 1HG GLU 7 1HG GLU 7 -1.478 9.314 -7.217 5 H LEU 8 H LEU 8 -2.188 9.961 -5.391 6 HA LEU 8 HA LEU 8 -1.141 11.154 -2.945 7 1HB LEU 8 1HB LEU 8 -2.761 9.491 -1.713 8 HG LEU 8 HG LEU 8 -3.811 8.983 -4.137 9 1HD1 LEU 8 1HD1 LEU 8 -6.014 8.617 -2.763 10 2HD1 LEU 8 2HD1 LEU 8 -4.976 9.028 -1.397 11 3HD1 LEU 8 3HD1 LEU 8 -4.572 7.657 -2.431 12 1HD2 LEU 8 1HD2 LEU 8 -5.870 10.871 -3.189 13 2HD2 LEU 8 2HD2 LEU 8 -5.429 10.396 -4.828 14 3HD2 LEU 8 3HD2 LEU 8 -4.456 11.584 -3.964 15 H VAL 9 H VAL 9 -2.075 8.152 -4.596 16 HA VAL 9 HA VAL 9 0.510 7.002 -4.173 17 HB VAL 9 HB VAL 9 -0.565 4.929 -3.004 18 1HG1 VAL 9 1HG1 VAL 9 -0.266 7.118 -1.050 19 2HG1 VAL 9 2HG1 VAL 9 1.073 6.892 -2.176 20 3HG1 VAL 9 3HG1 VAL 9 0.551 5.559 -1.147 21 1HG2 VAL 9 1HG2 VAL 9 -2.785 6.616 -3.039 22 2HG2 VAL 9 2HG2 VAL 9 -2.215 6.649 -1.372 23 3HG2 VAL 9 3HG2 VAL 9 -2.608 5.111 -2.137 24 H LEU 10 H LEU 10 0.470 4.605 -4.889 25 HA LEU 10 HA LEU 10 -1.538 4.214 -7.004 26 1HB LEU 10 1HB LEU 10 1.356 3.516 -7.395 27 HG LEU 10 HG LEU 10 0.510 6.163 -7.262 28 1HD1 LEU 10 1HD1 LEU 10 2.692 6.555 -8.514 29 2HD1 LEU 10 2HD1 LEU 10 2.842 4.799 -8.568 30 3HD1 LEU 10 3HD1 LEU 10 2.780 5.631 -7.015 31 1HD2 LEU 10 1HD2 LEU 10 0.966 6.668 -9.813 32 2HD2 LEU 10 2HD2 LEU 10 -0.662 6.361 -9.208 33 3HD2 LEU 10 3HD2 LEU 10 0.238 5.074 -10.011 34 H ALA 11 H ALA 11 0.887 2.764 -4.894 35 HA ALA 11 HA ALA 11 0.940 0.730 -3.853 36 1HB ALA 11 1HB ALA 11 -1.707 1.102 -4.101 37 2HB ALA 11 2HB ALA 11 -0.997 -0.375 -3.447 38 3HB ALA 11 3HB ALA 11 -1.513 -0.317 -5.132 39 H LEU 12 H LEU 12 2.680 0.727 -5.591 40 HA LEU 12 HA LEU 12 2.231 -0.957 -7.882 41 1HB LEU 12 1HB LEU 12 4.521 0.578 -6.764 42 HG LEU 12 HG LEU 12 2.949 0.589 -9.259 43 1HD1 LEU 12 1HD1 LEU 12 4.606 2.755 -7.991 44 2HD1 LEU 12 2HD1 LEU 12 2.975 2.351 -7.455 45 3HD1 LEU 12 3HD1 LEU 12 3.245 2.928 -9.100 46 1HD2 LEU 12 1HD2 LEU 12 4.668 1.234 -10.717 47 2HD2 LEU 12 2HD2 LEU 12 5.290 -0.200 -9.902 48 3HD2 LEU 12 3HD2 LEU 12 5.835 1.402 -9.407 49 H TYR 13 H TYR 13 2.198 -1.888 -4.865 50 HA TYR 13 HA TYR 13 4.207 -3.698 -4.370 51 1HB TYR 13 1HB TYR 13 2.303 -5.031 -3.189 52 HD1 TYR 13 HD1 TYR 13 0.562 -3.169 -1.515 53 HD2 TYR 13 HD2 TYR 13 0.816 -3.820 -5.712 54 HE1 TYR 13 HE1 TYR 13 -1.781 -2.464 -1.763 55 HE2 TYR 13 HE2 TYR 13 -1.523 -3.115 -5.969 56 HH TYR 13 HH TYR 13 -3.136 -1.414 -4.220 57 H ASP 14 H ASP 14 3.671 -6.198 -4.250 58 HA ASP 14 HA ASP 14 2.220 -7.379 -6.362 59 1HB ASP 14 1HB ASP 14 4.247 -8.219 -7.647 60 H TYR 15 H TYR 15 2.605 -7.757 -3.573 61 HA TYR 15 HA TYR 15 4.252 -10.108 -3.225 62 1HB TYR 15 1HB TYR 15 3.784 -8.237 -1.488 63 HD1 TYR 15 HD1 TYR 15 5.764 -8.929 -0.448 64 HD2 TYR 15 HD2 TYR 15 2.424 -11.564 -0.537 65 HE1 TYR 15 HE1 TYR 15 6.935 -10.456 1.083 66 HE2 TYR 15 HE2 TYR 15 3.586 -13.097 0.994 67 HH TYR 15 HH TYR 15 6.880 -12.869 1.675 68 H GLN 16 H GLN 16 3.468 -12.156 -2.531 69 HA GLN 16 HA GLN 16 0.631 -12.709 -2.908 70 1HB GLN 16 1HB GLN 16 2.650 -14.406 -4.356 71 1HG GLN 16 1HG GLN 16 1.600 -13.220 -6.426 72 1HE2 GLN 16 1HE2 GLN 16 3.012 -11.810 -7.586 73 2HE2 GLN 16 2HE2 GLN 16 4.647 -11.595 -7.066 74 H GLU 17 H GLU 17 0.551 -13.205 -0.712 75 HA GLU 17 HA GLU 17 2.245 -15.395 0.240 76 1HB GLU 17 1HB GLU 17 1.645 -13.096 1.472 77 1HG GLU 17 1HG GLU 17 1.666 -15.538 3.192 78 H LYS 18 H LYS 18 -0.011 -15.777 -1.636 79 HA LYS 18 HA LYS 18 -1.757 -17.194 -1.985 80 1HB LYS 18 1HB LYS 18 0.153 -18.570 -0.551 81 1HG LYS 18 1HG LYS 18 -0.976 -20.620 -1.230 82 1HD LYS 18 1HD LYS 18 -1.488 -18.750 -3.492 83 1HE LYS 18 1HE LYS 18 -1.355 -21.405 -3.404 84 1HZ LYS 18 1HZ LYS 18 1.414 -20.499 -3.376 85 2HZ LYS 18 2HZ LYS 18 1.029 -21.715 -4.486 86 3HZ LYS 18 3HZ LYS 18 0.745 -21.957 -2.838 87 H SER 19 H SER 19 -3.379 -18.652 -0.234 88 HA SER 19 HA SER 19 -5.215 -18.469 1.095 89 1HB SER 19 1HB SER 19 -4.279 -15.966 2.401 90 HG SER 19 HG SER 19 -3.030 -18.142 3.429 91 HA PRO 20 HA PRO 20 -7.858 -15.660 -1.042 92 1HB PRO 20 1HB PRO 20 -10.001 -15.598 0.628 93 1HG PRO 20 1HG PRO 20 -9.044 -16.560 2.511 94 1HD PRO 20 1HD PRO 20 -7.053 -17.717 2.410 95 H ARG 21 H ARG 21 -7.719 -15.066 2.473 96 HA ARG 21 HA ARG 21 -7.463 -12.194 1.888 97 1HB ARG 21 1HB ARG 21 -8.780 -11.782 4.002 98 1HG ARG 21 1HG ARG 21 -10.175 -14.347 3.715 99 1HD ARG 21 1HD ARG 21 -9.491 -12.385 5.846 100 HE ARG 21 HE ARG 21 -10.710 -14.781 6.853 101 1HH1 ARG 21 1HH1 ARG 21 -7.681 -13.134 6.307 102 2HH1 ARG 21 2HH1 ARG 21 -6.842 -14.005 7.546 103 1HH2 ARG 21 1HH2 ARG 21 -9.608 -15.925 8.483 104 2HH2 ARG 21 2HH2 ARG 21 -7.934 -15.589 8.783 105 H GLU 22 H GLU 22 -5.431 -11.717 2.425 106 HA GLU 22 HA GLU 22 -4.544 -11.753 5.084 107 1HB GLU 22 1HB GLU 22 -3.902 -14.141 3.480 108 1HG GLU 22 1HG GLU 22 -4.396 -13.452 6.277 109 H VAL 23 H VAL 23 -2.580 -12.552 2.243 110 HA VAL 23 HA VAL 23 -1.747 -9.775 1.961 111 HB VAL 23 HB VAL 23 0.288 -11.954 2.445 112 1HG1 VAL 23 1HG1 VAL 23 1.702 -9.755 2.729 113 2HG1 VAL 23 2HG1 VAL 23 0.447 -9.079 1.692 114 3HG1 VAL 23 3HG1 VAL 23 1.408 -10.449 1.134 115 1HG2 VAL 23 1HG2 VAL 23 -0.892 -9.892 4.266 116 2HG2 VAL 23 2HG2 VAL 23 0.755 -10.473 4.513 117 3HG2 VAL 23 3HG2 VAL 23 -0.598 -11.605 4.563 118 H THR 24 H THR 24 -2.088 -9.449 -0.145 119 HA THR 24 HA THR 24 -0.562 -10.670 -2.144 120 HB THR 24 HB THR 24 -1.852 -12.659 -1.883 121 HG1 THR 24 HG1 THR 24 -3.021 -11.251 -4.046 122 1HG2 THR 24 1HG2 THR 24 -4.488 -11.823 -2.559 123 2HG2 THR 24 2HG2 THR 24 -3.953 -10.957 -1.120 124 3HG2 THR 24 3HG2 THR 24 -3.929 -12.721 -1.148 125 H MET 25 H MET 25 -0.282 -8.772 -3.151 126 HA MET 25 HA MET 25 -2.638 -7.526 -4.359 127 1HB MET 25 1HB MET 25 -0.841 -6.304 -2.369 128 1HG MET 25 1HG MET 25 -2.785 -4.665 -2.282 129 1HE MET 25 1HE MET 25 -1.107 -7.047 -0.480 130 2HE MET 25 2HE MET 25 -2.190 -6.815 0.891 131 3HE MET 25 3HE MET 25 -1.676 -5.429 -0.068 132 H LYS 26 H LYS 26 -1.922 -5.810 -6.000 133 HA LYS 26 HA LYS 26 0.656 -5.848 -7.112 134 1HB LYS 26 1HB LYS 26 -0.705 -8.194 -7.665 135 1HG LYS 26 1HG LYS 26 1.667 -6.842 -8.787 136 1HD LYS 26 1HD LYS 26 0.005 -8.696 -10.333 137 1HE LYS 26 1HE LYS 26 1.537 -10.379 -9.751 138 1HZ LYS 26 1HZ LYS 26 4.052 -9.619 -10.270 139 2HZ LYS 26 2HZ LYS 26 3.371 -9.655 -8.723 140 3HZ LYS 26 3HZ LYS 26 3.430 -8.201 -9.585 141 H LYS 27 H LYS 27 0.438 -5.172 -9.612 142 HA LYS 27 HA LYS 27 -0.278 -3.633 -11.134 143 1HB LYS 27 1HB LYS 27 -2.851 -3.380 -9.584 144 1HG LYS 27 1HG LYS 27 -2.477 -5.766 -9.996 145 1HD LYS 27 1HD LYS 27 -1.129 -5.085 -12.205 146 1HE LYS 27 1HE LYS 27 -3.688 -6.122 -13.363 147 1HZ LYS 27 1HZ LYS 27 -1.258 -5.905 -14.425 148 2HZ LYS 27 2HZ LYS 27 -1.888 -4.389 -14.837 149 3HZ LYS 27 3HZ LYS 27 -2.684 -5.797 -15.331 150 H GLY 28 H GLY 28 -1.637 -1.281 -10.944 151 1HA GLY 28 1HA GLY 28 -0.137 0.143 -8.831 152 2HA GLY 28 2HA GLY 28 -0.437 0.804 -10.431 153 H ASP 29 H ASP 29 -2.949 -0.948 -8.789 154 HA ASP 29 HA ASP 29 -4.763 1.212 -8.957 155 1HB ASP 29 1HB ASP 29 -5.402 -1.209 -8.916 156 H ILE 30 H ILE 30 -4.916 2.947 -7.706 157 HA ILE 30 HA ILE 30 -3.314 3.399 -5.459 158 HB ILE 30 HB ILE 30 -5.907 4.844 -5.961 159 1HG1 ILE 30 1HG1 ILE 30 -3.248 5.111 -7.368 160 1HG2 ILE 30 1HG2 ILE 30 -5.023 5.624 -3.970 161 2HG2 ILE 30 2HG2 ILE 30 -4.343 6.755 -5.137 162 3HG2 ILE 30 3HG2 ILE 30 -3.357 5.433 -4.513 163 1HD1 ILE 30 1HD1 ILE 30 -3.506 7.293 -7.527 164 2HD1 ILE 30 2HD1 ILE 30 -5.058 7.227 -6.690 165 3HD1 ILE 30 3HD1 ILE 30 -4.987 6.993 -8.437 166 H LEU 31 H LEU 31 -4.166 4.002 -3.263 167 HA LEU 31 HA LEU 31 -6.469 2.450 -2.388 168 1HB LEU 31 1HB LEU 31 -4.469 1.867 -0.500 169 HG LEU 31 HG LEU 31 -3.510 1.222 -3.293 170 1HD1 LEU 31 1HD1 LEU 31 -2.803 3.285 -1.368 171 2HD1 LEU 31 2HD1 LEU 31 -2.393 3.140 -3.076 172 3HD1 LEU 31 3HD1 LEU 31 -1.423 2.305 -1.862 173 1HD2 LEU 31 1HD2 LEU 31 -1.579 0.316 -1.670 174 2HD2 LEU 31 2HD2 LEU 31 -2.902 -0.692 -2.256 175 3HD2 LEU 31 3HD2 LEU 31 -2.984 0.023 -0.646 176 H THR 32 H THR 32 -6.102 2.593 0.325 177 HA THR 32 HA THR 32 -6.243 5.490 0.789 178 HB THR 32 HB THR 32 -8.233 4.118 1.358 179 HG1 THR 32 HG1 THR 32 -6.873 5.359 3.511 180 1HG2 THR 32 1HG2 THR 32 -8.272 2.597 3.154 181 2HG2 THR 32 2HG2 THR 32 -6.610 2.975 3.608 182 3HG2 THR 32 3HG2 THR 32 -6.940 2.100 2.111 183 H LEU 33 H LEU 33 -4.946 2.514 2.244 184 HA LEU 33 HA LEU 33 -3.125 2.131 3.550 185 1HB LEU 33 1HB LEU 33 -2.108 4.898 3.063 186 HG LEU 33 HG LEU 33 -2.984 3.493 0.874 187 1HD1 LEU 33 1HD1 LEU 33 -1.210 4.908 -0.336 188 2HD1 LEU 33 2HD1 LEU 33 -0.810 5.514 1.272 189 3HD1 LEU 33 3HD1 LEU 33 -2.436 5.737 0.623 190 1HD2 LEU 33 1HD2 LEU 33 -1.593 1.735 0.662 191 2HD2 LEU 33 2HD2 LEU 33 -0.346 2.461 1.676 192 3HD2 LEU 33 3HD2 LEU 33 -0.499 2.940 -0.015 193 H LEU 34 H LEU 34 -1.906 3.032 5.520 194 HA LEU 34 HA LEU 34 -3.901 4.240 7.270 195 1HB LEU 34 1HB LEU 34 -2.892 2.204 8.065 196 HG LEU 34 HG LEU 34 -2.791 4.557 9.610 197 1HD1 LEU 34 1HD1 LEU 34 -3.298 3.131 11.390 198 2HD1 LEU 34 2HD1 LEU 34 -2.420 1.778 10.676 199 3HD1 LEU 34 3HD1 LEU 34 -3.945 2.310 9.971 200 1HD2 LEU 34 1HD2 LEU 34 -0.797 4.714 10.620 201 2HD2 LEU 34 2HD2 LEU 34 -0.191 3.838 9.214 202 3HD2 LEU 34 3HD2 LEU 34 -0.587 2.964 10.693 203 H ASN 35 H ASN 35 -0.364 4.536 7.357 204 HA ASN 35 HA ASN 35 -0.624 7.448 7.148 205 1HB ASN 35 1HB ASN 35 -0.581 6.859 9.557 206 1HD2 ASN 35 1HD2 ASN 35 -0.618 9.177 8.758 207 2HD2 ASN 35 2HD2 ASN 35 0.761 10.140 9.149 208 H SER 36 H SER 36 1.575 4.667 7.277 209 HA SER 36 HA SER 36 3.430 4.145 6.065 210 1HB SER 36 1HB SER 36 1.957 5.197 4.190 211 HG SER 36 HG SER 36 3.618 4.875 2.760 212 H THR 37 H THR 37 5.247 4.406 7.168 213 HA THR 37 HA THR 37 6.896 6.659 6.923 214 HB THR 37 HB THR 37 5.255 7.728 8.403 215 HG1 THR 37 HG1 THR 37 7.643 7.158 9.817 216 1HG2 THR 37 1HG2 THR 37 6.031 5.746 10.520 217 2HG2 THR 37 2HG2 THR 37 4.539 5.640 9.585 218 3HG2 THR 37 3HG2 THR 37 4.834 7.036 10.622 219 H ASN 38 H ASN 38 8.873 6.484 8.230 220 HA ASN 38 HA ASN 38 10.639 5.292 9.025 221 1HB ASN 38 1HB ASN 38 8.348 3.894 10.387 222 1HD2 ASN 38 1HD2 ASN 38 11.309 4.468 11.969 223 2HD2 ASN 38 2HD2 ASN 38 10.834 5.880 12.844 224 H LYS 39 H LYS 39 11.587 2.971 9.119 225 HA LYS 39 HA LYS 39 10.706 1.548 6.693 226 1HB LYS 39 1HB LYS 39 13.054 2.745 6.889 227 1HG LYS 39 1HG LYS 39 12.170 1.118 5.073 228 1HD LYS 39 1HD LYS 39 12.931 -0.786 6.865 229 1HE LYS 39 1HE LYS 39 14.884 -1.857 5.499 230 1HZ LYS 39 1HZ LYS 39 15.674 0.378 7.254 231 2HZ LYS 39 2HZ LYS 39 16.366 -1.159 7.115 232 3HZ LYS 39 3HZ LYS 39 14.871 -0.973 7.882 233 H ASP 40 H ASP 40 9.586 -0.190 7.301 234 HA ASP 40 HA ASP 40 10.785 -2.370 8.579 235 1HB ASP 40 1HB ASP 40 9.454 -0.447 10.361 236 H TRP 41 H TRP 41 9.801 -3.170 6.631 237 HA TRP 41 HA TRP 41 8.238 -4.381 5.519 238 1HB TRP 41 1HB TRP 41 7.404 -5.856 6.988 239 HD1 TRP 41 HD1 TRP 41 4.997 -5.753 5.646 240 HE1 TRP 41 HE1 TRP 41 2.659 -5.124 6.516 241 HE3 TRP 41 HE3 TRP 41 6.346 -3.328 9.943 242 HZ2 TRP 41 HZ2 TRP 41 1.540 -3.776 8.725 243 HZ3 TRP 41 HZ3 TRP 41 4.580 -2.393 11.373 244 HH2 TRP 41 HH2 TRP 41 2.225 -2.616 10.775 245 H TRP 42 H TRP 42 6.303 -2.287 7.669 246 HA TRP 42 HA TRP 42 4.653 -0.797 7.267 247 1HB TRP 42 1HB TRP 42 6.317 0.555 6.223 248 HD1 TRP 42 HD1 TRP 42 5.554 1.389 3.050 249 HE1 TRP 42 HE1 TRP 42 3.425 2.797 2.737 250 HE3 TRP 42 HE3 TRP 42 3.241 0.387 7.506 251 HZ2 TRP 42 HZ2 TRP 42 1.080 3.403 4.180 252 HZ3 TRP 42 HZ3 TRP 42 1.057 1.421 7.956 253 HH2 TRP 42 HH2 TRP 42 -0.001 2.900 6.325 254 H LYS 43 H LYS 43 2.633 -1.446 6.987 255 HA LYS 43 HA LYS 43 1.893 -3.395 5.035 256 1HB LYS 43 1HB LYS 43 -0.466 -2.806 5.839 257 1HG LYS 43 1HG LYS 43 0.921 -1.435 8.105 258 1HD LYS 43 1HD LYS 43 -1.559 -0.440 8.009 259 1HE LYS 43 1HE LYS 43 -2.147 -2.614 9.420 260 1HZ LYS 43 1HZ LYS 43 -0.158 -0.553 10.193 261 2HZ LYS 43 2HZ LYS 43 -0.896 -1.614 11.283 262 3HZ LYS 43 3HZ LYS 43 -1.832 -0.490 10.432 263 H VAL 44 H VAL 44 -0.382 -2.757 3.865 264 HA VAL 44 HA VAL 44 0.212 -0.315 2.328 265 HB VAL 44 HB VAL 44 0.289 -2.820 1.302 266 1HG1 VAL 44 1HG1 VAL 44 -2.462 -1.820 0.588 267 2HG1 VAL 44 2HG1 VAL 44 -2.142 -3.131 1.723 268 3HG1 VAL 44 3HG1 VAL 44 -1.685 -3.300 0.028 269 1HG2 VAL 44 1HG2 VAL 44 -0.643 -1.179 -0.797 270 2HG2 VAL 44 2HG2 VAL 44 1.021 -1.570 -0.368 271 3HG2 VAL 44 3HG2 VAL 44 0.242 -0.148 0.326 272 H GLU 45 H GLU 45 -2.337 -2.416 3.579 273 HA GLU 45 HA GLU 45 -4.501 -2.024 4.151 274 1HB GLU 45 1HB GLU 45 -3.073 0.287 4.882 275 1HG GLU 45 1HG GLU 45 -5.476 -1.117 5.750 276 H VAL 46 H VAL 46 -5.999 -2.465 2.688 277 HA VAL 46 HA VAL 46 -6.597 -0.480 0.621 278 HB VAL 46 HB VAL 46 -6.381 -3.419 -0.027 279 1HG1 VAL 46 1HG1 VAL 46 -6.307 -2.250 -2.391 280 2HG1 VAL 46 2HG1 VAL 46 -7.167 -0.975 -1.526 281 3HG1 VAL 46 3HG1 VAL 46 -7.838 -2.606 -1.588 282 1HG2 VAL 46 1HG2 VAL 46 -4.446 -2.240 -1.512 283 2HG2 VAL 46 2HG2 VAL 46 -4.162 -3.047 0.031 284 3HG2 VAL 46 3HG2 VAL 46 -4.351 -1.294 -0.026 285 H ASN 47 H ASN 47 -7.595 -3.702 1.785 286 HA ASN 47 HA ASN 47 -10.345 -2.678 1.982 287 1HB ASN 47 1HB ASN 47 -9.330 -5.016 0.484 288 1HD2 ASN 47 1HD2 ASN 47 -9.489 -3.971 -1.398 289 2HD2 ASN 47 2HD2 ASN 47 -10.942 -3.275 -2.022 290 H ASP 48 H ASP 48 -11.645 -4.693 3.127 291 HA ASP 48 HA ASP 48 -10.702 -4.658 5.802 292 1HB ASP 48 1HB ASP 48 -12.835 -6.476 4.670 293 H ARG 49 H ARG 49 -8.539 -5.570 5.277 294 HA ARG 49 HA ARG 49 -8.505 -8.380 5.935 295 1HB ARG 49 1HB ARG 49 -6.871 -8.845 4.020 296 1HG ARG 49 1HG ARG 49 -8.298 -6.859 2.384 297 1HD ARG 49 1HD ARG 49 -6.400 -8.649 1.854 298 HE ARG 49 HE ARG 49 -4.421 -7.918 2.720 299 1HH1 ARG 49 1HH1 ARG 49 -6.184 -5.161 1.507 300 2HH1 ARG 49 2HH1 ARG 49 -4.877 -4.055 1.764 301 1HH2 ARG 49 1HH2 ARG 49 -2.700 -6.464 3.058 302 2HH2 ARG 49 2HH2 ARG 49 -2.900 -4.794 2.644 303 H GLN 50 H GLN 50 -7.630 -5.772 7.049 304 HA GLN 50 HA GLN 50 -5.879 -4.885 8.198 305 1HB GLN 50 1HB GLN 50 -5.891 -7.564 8.728 306 1HG GLN 50 1HG GLN 50 -3.925 -6.950 10.357 307 1HE2 GLN 50 1HE2 GLN 50 -6.245 -8.177 10.599 308 2HE2 GLN 50 2HE2 GLN 50 -7.280 -7.379 11.729 309 H GLY 51 H GLY 51 -3.158 -5.286 8.168 310 1HA GLY 51 1HA GLY 51 -2.492 -4.231 5.527 311 2HA GLY 51 2HA GLY 51 -1.474 -4.170 6.959 312 H PHE 52 H PHE 52 0.160 -5.572 7.103 313 HA PHE 52 HA PHE 52 1.630 -7.210 6.516 314 1HB PHE 52 1HB PHE 52 -0.878 -8.778 5.881 315 HD1 PHE 52 HD1 PHE 52 1.579 -7.912 8.535 316 HD2 PHE 52 HD2 PHE 52 -2.249 -9.510 7.587 317 HE1 PHE 52 HE1 PHE 52 1.034 -8.020 10.933 318 HE2 PHE 52 HE2 PHE 52 -2.802 -9.621 9.983 319 HZ PHE 52 HZ PHE 52 -1.158 -8.874 11.658 320 H VAL 53 H VAL 53 2.309 -5.889 4.712 321 HA VAL 53 HA VAL 53 2.513 -7.283 2.305 322 HB VAL 53 HB VAL 53 0.268 -6.859 1.753 323 1HG1 VAL 53 1HG1 VAL 53 -0.338 -5.310 3.458 324 2HG1 VAL 53 2HG1 VAL 53 -0.743 -4.581 1.905 325 3HG1 VAL 53 3HG1 VAL 53 0.700 -4.062 2.775 326 1HG2 VAL 53 1HG2 VAL 53 0.500 -5.879 -0.275 327 2HG2 VAL 53 2HG2 VAL 53 2.210 -5.921 0.153 328 3HG2 VAL 53 3HG2 VAL 53 1.279 -4.442 0.387 329 HA PRO 54 HA PRO 54 5.775 -4.121 3.042 330 1HB PRO 54 1HB PRO 54 6.990 -5.868 0.955 331 1HG PRO 54 1HG PRO 54 6.950 -7.780 2.282 332 1HD PRO 54 1HD PRO 54 4.727 -7.657 1.677 333 H ALA 55 H ALA 55 5.870 -2.243 1.991 334 HA ALA 55 HA ALA 55 4.492 -1.778 -0.422 335 1HB ALA 55 1HB ALA 55 4.986 -0.098 1.393 336 2HB ALA 55 2HB ALA 55 5.236 0.465 -0.260 337 3HB ALA 55 3HB ALA 55 6.618 0.009 0.734 338 H ALA 56 H ALA 56 7.990 -1.837 0.268 339 HA ALA 56 HA ALA 56 9.802 -2.174 -1.067 340 1HB ALA 56 1HB ALA 56 8.973 -4.342 -1.493 341 2HB ALA 56 2HB ALA 56 9.423 -3.684 -3.067 342 3HB ALA 56 3HB ALA 56 7.727 -3.735 -2.584 343 H TYR 57 H TYR 57 8.720 0.303 -1.348 344 HA TYR 57 HA TYR 57 9.070 2.130 -2.674 345 1HB TYR 57 1HB TYR 57 10.582 1.877 -4.296 346 HD1 TYR 57 HD1 TYR 57 10.570 2.574 -6.469 347 HD2 TYR 57 HD2 TYR 57 8.049 -0.677 -5.385 348 HE1 TYR 57 HE1 TYR 57 9.751 2.438 -8.784 349 HE2 TYR 57 HE2 TYR 57 7.229 -0.822 -7.692 350 HH TYR 57 HH TYR 57 8.707 0.491 -10.255 351 H VAL 58 H VAL 58 7.739 3.428 -3.953 352 HA VAL 58 HA VAL 58 5.728 2.503 -5.667 353 HB VAL 58 HB VAL 58 4.738 1.509 -3.670 354 1HG1 VAL 58 1HG1 VAL 58 4.130 2.708 -1.747 355 2HG1 VAL 58 2HG1 VAL 58 4.383 4.266 -2.536 356 3HG1 VAL 58 3HG1 VAL 58 5.765 3.254 -2.123 357 1HG2 VAL 58 1HG2 VAL 58 2.592 2.112 -4.155 358 2HG2 VAL 58 2HG2 VAL 58 3.416 2.815 -5.548 359 3HG2 VAL 58 3HG2 VAL 58 2.963 3.837 -4.183 360 H LYS 59 H LYS 59 6.355 4.951 -3.159 361 HA LYS 59 HA LYS 59 6.626 7.089 -4.922 362 1HB LYS 59 1HB LYS 59 4.010 6.375 -4.916 363 1HG LYS 59 1HG LYS 59 4.098 9.246 -4.996 364 1HD LYS 59 1HD LYS 59 4.090 7.344 -7.321 365 1HE LYS 59 1HE LYS 59 4.135 9.813 -7.708 366 1HZ LYS 59 1HZ LYS 59 2.878 10.736 -6.003 367 2HZ LYS 59 2HZ LYS 59 1.601 9.644 -6.201 368 3HZ LYS 59 3HZ LYS 59 1.859 10.862 -7.347 369 H LYS 60 H LYS 60 5.681 9.227 -3.486 370 HA LYS 60 HA LYS 60 6.781 8.845 -0.784 371 1HB LYS 60 1HB LYS 60 7.642 10.740 -2.905 372 1HG LYS 60 1HG LYS 60 8.896 9.017 -0.880 373 1HD LYS 60 1HD LYS 60 9.455 11.666 -0.595 374 1HE LYS 60 1HE LYS 60 11.537 12.168 -1.639 375 1HZ LYS 60 1HZ LYS 60 9.741 11.017 -3.705 376 2HZ LYS 60 2HZ LYS 60 10.953 12.166 -3.973 377 3HZ LYS 60 3HZ LYS 60 9.599 12.566 -3.040 378 H LEU 61 H LEU 61 4.678 8.836 0.065 379 HA LEU 61 HA LEU 61 2.690 10.729 -0.476 380 1HB LEU 61 1HB LEU 61 2.612 8.492 0.856 381 HG LEU 61 HG LEU 61 0.611 9.116 2.108 382 1HD1 LEU 61 1HD1 LEU 61 1.232 11.966 1.358 383 2HD1 LEU 61 2HD1 LEU 61 1.509 11.276 2.957 384 3HD1 LEU 61 3HD1 LEU 61 -0.129 11.381 2.314 385 1HD2 LEU 61 1HD2 LEU 61 -0.730 9.774 0.277 386 2HD2 LEU 61 2HD2 LEU 61 0.612 8.854 -0.405 387 3HD2 LEU 61 3HD2 LEU 61 0.613 10.615 -0.499 388 H ASP 62 H ASP 62 4.683 10.573 2.480 389 HA ASP 62 HA ASP 62 4.744 13.513 2.493 390 1HB ASP 62 1HB ASP 62 3.786 11.659 4.611
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