NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9896 | 1oyi | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 13 H ARG 13 -10.567 9.296 -2.009 2 HA ARG 13 HA ARG 13 -9.635 11.463 -0.409 3 1HB ARG 13 1HB ARG 13 -12.440 11.477 -1.625 4 2HB ARG 13 2HB ARG 13 -11.992 12.469 -0.252 5 1HG ARG 13 1HG ARG 13 -10.617 12.549 -2.980 6 2HG ARG 13 2HG ARG 13 -11.822 13.700 -2.435 7 1HD ARG 13 1HD ARG 13 -9.738 13.454 -0.412 8 2HD ARG 13 2HD ARG 13 -9.002 13.781 -1.968 9 HE ARG 13 HE ARG 13 -10.792 15.572 -0.460 10 1HH1 ARG 13 2HH2 ARG 13 -9.274 14.880 -3.558 11 2HH1 ARG 13 1HH2 ARG 13 -9.445 16.499 -4.148 12 1HH2 ARG 13 2HH1 ARG 13 -11.018 17.708 -1.238 13 2HH2 ARG 13 1HH1 ARG 13 -10.444 18.119 -2.820 14 H SER 14 H SER 14 -9.253 9.177 0.624 15 HA SER 14 HA SER 14 -11.061 8.898 2.704 16 1HB SER 14 1HB SER 14 -12.521 7.824 1.032 17 2HB SER 14 2HB SER 14 -11.233 6.731 0.564 18 HG SER 14 HG SER 14 -12.296 6.865 3.253 19 H ASN 15 H ASN 15 -9.372 6.292 0.824 20 HA ASN 15 HA ASN 15 -7.541 6.095 3.083 21 1HB ASN 15 1HB ASN 15 -7.233 3.711 1.735 22 2HB ASN 15 2HB ASN 15 -8.354 3.935 3.063 23 1HD2 ASN 15 1HD2 ASN 15 -7.944 3.487 -0.323 24 2HD2 ASN 15 2HD2 ASN 15 -9.609 3.352 -0.782 25 H ALA 16 H ALA 16 -8.001 6.308 -0.452 26 HA ALA 16 HA ALA 16 -5.402 5.679 -1.261 27 1HB ALA 16 1HB ALA 16 -6.549 7.634 -3.002 28 2HB ALA 16 2HB ALA 16 -6.486 5.869 -3.218 29 3HB ALA 16 3HB ALA 16 -7.875 6.616 -2.392 30 H GLU 17 H GLU 17 -6.963 8.759 -0.218 31 HA GLU 17 HA GLU 17 -4.766 10.351 -0.850 32 1HB GLU 17 1HB GLU 17 -5.879 12.015 0.688 33 2HB GLU 17 2HB GLU 17 -6.940 11.362 -0.543 34 1HG GLU 17 1HG GLU 17 -8.365 10.840 1.151 35 2HG GLU 17 2HG GLU 17 -7.262 9.535 1.540 36 H ILE 18 H ILE 18 -5.731 8.521 2.089 37 HA ILE 18 HA ILE 18 -3.597 9.599 3.654 38 HB ILE 18 HB ILE 18 -5.395 7.218 4.124 39 1HG1 ILE 18 1HG1 ILE 18 -5.696 10.144 4.838 40 2HG1 ILE 18 2HG1 ILE 18 -6.766 9.162 3.856 41 1HG2 ILE 18 1HG2 ILE 18 -3.197 7.379 5.425 42 2HG2 ILE 18 2HG2 ILE 18 -3.911 8.805 6.216 43 3HG2 ILE 18 3HG2 ILE 18 -4.701 7.217 6.363 44 1HD1 ILE 18 1HD1 ILE 18 -6.632 7.701 6.228 45 2HD1 ILE 18 2HD1 ILE 18 -6.598 9.388 6.793 46 3HD1 ILE 18 3HD1 ILE 18 -7.942 8.818 5.774 47 H VAL 19 H VAL 19 -4.127 6.814 1.504 48 HA VAL 19 HA VAL 19 -1.867 5.359 2.374 49 HB VAL 19 HB VAL 19 -3.580 5.335 -0.107 50 1HG1 VAL 19 1HG1 VAL 19 -1.883 4.297 -1.154 51 2HG1 VAL 19 2HG1 VAL 19 -0.978 4.045 0.358 52 3HG1 VAL 19 3HG1 VAL 19 -2.270 2.912 -0.105 53 1HG2 VAL 19 1HG2 VAL 19 -4.883 3.883 0.994 54 2HG2 VAL 19 2HG2 VAL 19 -3.486 2.936 1.560 55 3HG2 VAL 19 3HG2 VAL 19 -4.013 4.374 2.467 56 H CYS 20 H CYS 20 -2.451 7.951 -0.025 57 HA CYS 20 HA CYS 20 0.125 7.692 -1.191 58 1HB CYS 20 1HB CYS 20 -2.231 8.931 -1.925 59 2HB CYS 20 2HB CYS 20 -1.220 10.295 -1.490 60 HG CYS 20 HG CYS 20 -0.780 7.877 -3.681 61 H GLU 21 H GLU 21 -1.450 9.635 1.392 62 HA GLU 21 HA GLU 21 0.707 11.382 1.740 63 1HB GLU 21 1HB GLU 21 -1.866 11.344 2.605 64 2HB GLU 21 2HB GLU 21 -1.086 10.751 4.058 65 1HG GLU 21 1HG GLU 21 0.590 12.838 3.421 66 2HG GLU 21 2HG GLU 21 -0.925 13.448 2.784 67 H ALA 22 H ALA 22 -0.035 8.109 2.872 68 HA ALA 22 HA ALA 22 1.842 8.146 5.018 69 1HB ALA 22 1HB ALA 22 1.348 5.489 4.211 70 2HB ALA 22 2HB ALA 22 0.529 6.388 5.510 71 3HB ALA 22 3HB ALA 22 -0.157 6.375 3.867 72 H ILE 23 H ILE 23 1.779 6.534 1.755 73 HA ILE 23 HA ILE 23 4.305 5.518 1.790 74 HB ILE 23 HB ILE 23 2.670 5.017 0.092 75 1HG1 ILE 23 1HG1 ILE 23 5.275 4.989 -0.284 76 2HG1 ILE 23 2HG1 ILE 23 4.167 4.609 -1.587 77 1HG2 ILE 23 1HG2 ILE 23 3.137 7.794 -1.024 78 2HG2 ILE 23 2HG2 ILE 23 2.046 6.541 -1.663 79 3HG2 ILE 23 3HG2 ILE 23 1.705 7.300 -0.089 80 1HD1 ILE 23 1HD1 ILE 23 4.437 6.735 -2.616 81 2HD1 ILE 23 2HD1 ILE 23 5.099 7.464 -1.134 82 3HD1 ILE 23 3HD1 ILE 23 6.078 6.310 -2.072 83 H LYS 24 H LYS 24 3.258 8.854 0.873 84 HA LYS 24 HA LYS 24 5.825 9.723 0.158 85 1HB LYS 24 1HB LYS 24 3.222 10.738 0.119 86 2HB LYS 24 2HB LYS 24 4.079 11.811 1.207 87 1HG LYS 24 1HG LYS 24 5.927 11.458 -0.855 88 2HG LYS 24 2HG LYS 24 4.401 11.444 -1.717 89 1HD LYS 24 1HD LYS 24 4.309 13.560 0.257 90 2HD LYS 24 2HD LYS 24 5.809 13.709 -0.637 91 1HE LYS 24 1HE LYS 24 3.102 13.356 -2.004 92 2HE LYS 24 2HE LYS 24 3.784 14.929 -1.642 93 1HZ LYS 24 1HZ LYS 24 5.558 14.533 -3.066 94 2HZ LYS 24 2HZ LYS 24 5.291 12.924 -3.152 95 3HZ LYS 24 3HZ LYS 24 4.267 13.963 -3.887 96 H THR 25 H THR 25 3.923 10.096 3.229 97 HA THR 25 HA THR 25 5.825 11.465 4.672 98 HB THR 25 HB THR 25 3.561 9.547 5.295 99 HG1 THR 25 1HG THR 25 4.303 12.284 6.051 100 1HG2 THR 25 1HG2 THR 25 5.770 10.352 7.134 101 2HG2 THR 25 2HG2 THR 25 4.138 10.758 7.717 102 3HG2 THR 25 3HG2 THR 25 4.550 9.071 7.329 103 H ILE 26 H ILE 26 5.863 8.126 3.582 104 HA ILE 26 HA ILE 26 7.932 7.434 5.486 105 HB ILE 26 HB ILE 26 6.575 5.900 3.269 106 1HG1 ILE 26 1HG1 ILE 26 6.335 5.568 6.270 107 2HG1 ILE 26 2HG1 ILE 26 5.224 6.526 5.311 108 1HG2 ILE 26 1HG2 ILE 26 9.082 5.360 4.076 109 2HG2 ILE 26 2HG2 ILE 26 8.172 4.477 5.324 110 3HG2 ILE 26 3HG2 ILE 26 7.910 4.107 3.603 111 1HD1 ILE 26 1HD1 ILE 26 4.263 4.313 5.550 112 2HD1 ILE 26 2HD1 ILE 26 4.809 4.473 3.864 113 3HD1 ILE 26 3HD1 ILE 26 5.779 3.540 5.030 114 H GLY 27 H GLY 27 8.167 6.238 2.187 115 1HA GLY 27 1HA GLY 27 9.663 7.963 0.802 116 2HA GLY 27 2HA GLY 27 10.826 7.391 1.981 117 H ILE 28 H ILE 28 11.180 4.986 2.166 118 HA ILE 28 HA ILE 28 10.718 3.728 -0.448 119 HB ILE 28 HB ILE 28 12.816 2.901 -0.460 120 1HG1 ILE 28 1HG1 ILE 28 14.086 2.857 1.940 121 2HG1 ILE 28 2HG1 ILE 28 12.432 2.617 2.468 122 1HG2 ILE 28 1HG2 ILE 28 12.743 5.503 -0.067 123 2HG2 ILE 28 2HG2 ILE 28 13.588 5.079 1.441 124 3HG2 ILE 28 3HG2 ILE 28 14.290 4.625 -0.130 125 1HD1 ILE 28 1HD1 ILE 28 12.534 0.457 1.812 126 2HD1 ILE 28 2HD1 ILE 28 12.826 0.981 0.136 127 3HD1 ILE 28 3HD1 ILE 28 14.199 0.711 1.236 128 H GLU 29 H GLU 29 10.141 3.667 2.979 129 HA GLU 29 HA GLU 29 9.853 0.911 3.279 130 1HB GLU 29 1HB GLU 29 9.689 3.194 4.914 131 2HB GLU 29 2HB GLU 29 8.078 2.510 4.990 132 1HG GLU 29 1HG GLU 29 8.862 0.997 6.486 133 2HG GLU 29 2HG GLU 29 9.787 0.269 5.188 134 H GLY 30 H GLY 30 8.098 3.107 1.384 135 1HA GLY 30 1HA GLY 30 5.967 3.167 0.583 136 2HA GLY 30 2HA GLY 30 6.329 1.486 0.246 137 H ALA 31 H ALA 31 4.048 0.956 0.504 138 HA ALA 31 HA ALA 31 3.238 0.931 3.331 139 1HB ALA 31 1HB ALA 31 0.974 0.678 1.611 140 2HB ALA 31 2HB ALA 31 1.381 2.024 2.703 141 3HB ALA 31 3HB ALA 31 1.944 2.046 1.015 142 H THR 32 H THR 32 4.164 -1.124 3.752 143 HA THR 32 HA THR 32 3.544 -3.322 1.993 144 HB THR 32 HB THR 32 5.718 -2.892 3.364 145 HG1 THR 32 1HG THR 32 5.151 -4.942 2.352 146 1HG2 THR 32 1HG2 THR 32 4.535 -2.507 5.583 147 2HG2 THR 32 2HG2 THR 32 3.975 -4.196 5.519 148 3HG2 THR 32 3HG2 THR 32 5.715 -3.839 5.636 149 H ALA 33 H ALA 33 2.995 -5.444 3.613 150 HA ALA 33 HA ALA 33 0.227 -5.142 3.976 151 1HB ALA 33 1HB ALA 33 2.308 -7.249 4.473 152 2HB ALA 33 2HB ALA 33 0.711 -7.444 5.234 153 3HB ALA 33 3HB ALA 33 0.843 -7.310 3.464 154 H ALA 34 H ALA 34 2.628 -6.127 6.516 155 HA ALA 34 HA ALA 34 1.167 -5.700 8.705 156 1HB ALA 34 1HB ALA 34 4.087 -5.003 8.211 157 2HB ALA 34 2HB ALA 34 3.348 -5.101 9.827 158 3HB ALA 34 3HB ALA 34 3.428 -6.550 8.795 159 H GLN 35 H GLN 35 2.927 -3.144 6.840 160 HA GLN 35 HA GLN 35 2.615 -1.025 8.389 161 1HB GLN 35 1HB GLN 35 2.656 -1.483 5.469 162 2HB GLN 35 2HB GLN 35 1.874 0.021 5.913 163 1HG GLN 35 1HG GLN 35 4.650 -0.855 6.846 164 2HG GLN 35 2HG GLN 35 4.338 0.299 5.564 165 1HE2 GLN 35 1HE2 GLN 35 3.206 2.261 6.066 166 2HE2 GLN 35 2HE2 GLN 35 3.334 2.981 7.636 167 H LEU 36 H LEU 36 0.189 -1.364 5.727 168 HA LEU 36 HA LEU 36 -1.726 0.205 6.837 169 1HB LEU 36 1HB LEU 36 -1.809 -2.112 4.941 170 2HB LEU 36 2HB LEU 36 -3.305 -1.375 5.477 171 HG LEU 36 HG LEU 36 -2.365 0.850 4.672 172 1HD1 LEU 36 1HD1 LEU 36 -0.188 -0.994 3.791 173 2HD1 LEU 36 2HD1 LEU 36 -0.641 0.357 2.724 174 3HD1 LEU 36 3HD1 LEU 36 -0.106 0.680 4.391 175 1HD2 LEU 36 1HD2 LEU 36 -2.959 0.414 2.330 176 2HD2 LEU 36 2HD2 LEU 36 -2.865 -1.337 2.634 177 3HD2 LEU 36 3HD2 LEU 36 -4.098 -0.355 3.460 178 H THR 37 H THR 37 -1.357 -3.381 7.237 179 HA THR 37 HA THR 37 -3.538 -3.874 8.800 180 HB THR 37 HB THR 37 -0.738 -5.043 9.199 181 HG1 THR 37 1HG THR 37 -1.038 -5.532 7.061 182 1HG2 THR 37 1HG2 THR 37 -3.307 -6.619 9.024 183 2HG2 THR 37 2HG2 THR 37 -1.824 -6.984 9.937 184 3HG2 THR 37 3HG2 THR 37 -2.967 -5.762 10.546 185 H ARG 38 H ARG 38 -0.740 -1.924 9.594 186 HA ARG 38 HA ARG 38 -1.375 -2.096 12.394 187 1HB ARG 38 1HB ARG 38 0.982 -1.541 10.873 188 2HB ARG 38 2HB ARG 38 0.609 -0.057 11.725 189 1HG ARG 38 1HG ARG 38 1.585 -0.979 13.556 190 2HG ARG 38 2HG ARG 38 0.191 -2.034 13.674 191 1HD ARG 38 1HD ARG 38 1.349 -3.865 12.909 192 2HD ARG 38 2HD ARG 38 2.179 -2.947 11.668 193 HE ARG 38 HE ARG 38 3.283 -2.071 14.101 194 1HH1 ARG 38 2HH2 ARG 38 3.013 -5.122 12.368 195 2HH1 ARG 38 1HH2 ARG 38 4.477 -5.773 13.028 196 1HH2 ARG 38 2HH1 ARG 38 5.214 -2.929 14.972 197 2HH2 ARG 38 1HH1 ARG 38 5.737 -4.517 14.519 198 H GLN 39 H GLN 39 -1.446 0.198 9.620 199 HA GLN 39 HA GLN 39 -2.085 2.470 11.027 200 1HB GLN 39 1HB GLN 39 -2.227 1.539 8.222 201 2HB GLN 39 2HB GLN 39 -3.420 2.765 8.602 202 1HG GLN 39 1HG GLN 39 -1.325 3.818 7.822 203 2HG GLN 39 2HG GLN 39 -1.644 4.258 9.488 204 1HE2 GLN 39 1HE2 GLN 39 0.099 1.956 7.440 205 2HE2 GLN 39 2HE2 GLN 39 1.454 1.696 8.488 206 H LEU 40 H LEU 40 -4.033 -0.347 10.135 207 HA LEU 40 HA LEU 40 -6.421 1.048 11.116 208 1HB LEU 40 1HB LEU 40 -7.419 -1.167 9.996 209 2HB LEU 40 2HB LEU 40 -7.191 0.348 9.145 210 HG LEU 40 HG LEU 40 -4.976 -1.678 9.136 211 1HD1 LEU 40 1HD1 LEU 40 -7.421 -2.577 8.489 212 2HD1 LEU 40 2HD1 LEU 40 -6.957 -1.853 6.930 213 3HD1 LEU 40 3HD1 LEU 40 -5.934 -3.109 7.667 214 1HD2 LEU 40 1HD2 LEU 40 -4.478 -0.698 6.968 215 2HD2 LEU 40 2HD2 LEU 40 -5.933 0.323 7.069 216 3HD2 LEU 40 3HD2 LEU 40 -4.592 0.570 8.213 217 H ASN 41 H ASN 41 -5.382 -2.422 10.951 218 HA ASN 41 HA ASN 41 -4.865 -2.702 13.621 219 1HB ASN 41 1HB ASN 41 -7.695 -2.468 13.106 220 2HB ASN 41 2HB ASN 41 -7.388 -4.145 13.512 221 1HD2 ASN 41 1HD2 ASN 41 -5.740 -1.177 14.554 222 2HD2 ASN 41 2HD2 ASN 41 -6.034 -1.341 16.253 223 H MET 42 H MET 42 -6.683 -4.169 10.838 224 HA MET 42 HA MET 42 -4.873 -5.928 10.028 225 1HB MET 42 1HB MET 42 -5.910 -6.738 12.641 226 2HB MET 42 2HB MET 42 -6.372 -7.936 11.448 227 1HG MET 42 1HG MET 42 -3.927 -7.968 10.669 228 2HG MET 42 2HG MET 42 -3.542 -6.956 12.047 229 1HE MET 42 1HE MET 42 -3.156 -7.722 14.329 230 2HE MET 42 2HE MET 42 -2.765 -9.433 14.621 231 3HE MET 42 3HE MET 42 -1.952 -8.546 13.310 232 H GLU 43 H GLU 43 -7.035 -4.414 9.012 233 HA GLU 43 HA GLU 43 -9.111 -6.322 8.429 234 1HB GLU 43 1HB GLU 43 -8.843 -3.464 7.409 235 2HB GLU 43 2HB GLU 43 -10.294 -4.447 7.427 236 1HG GLU 43 1HG GLU 43 -9.561 -4.533 10.095 237 2HG GLU 43 2HG GLU 43 -9.004 -2.934 9.645 238 H LYS 44 H LYS 44 -6.976 -7.497 7.410 239 HA LYS 44 HA LYS 44 -5.973 -6.647 4.988 240 1HB LYS 44 1HB LYS 44 -6.372 -9.409 6.156 241 2HB LYS 44 2HB LYS 44 -5.546 -9.137 4.635 242 1HG LYS 44 1HG LYS 44 -3.970 -7.551 5.820 243 2HG LYS 44 2HG LYS 44 -4.761 -7.941 7.335 244 1HD LYS 44 1HD LYS 44 -4.235 -10.467 6.531 245 2HD LYS 44 2HD LYS 44 -2.969 -9.659 5.627 246 1HE LYS 44 1HE LYS 44 -1.764 -9.140 7.516 247 2HE LYS 44 2HE LYS 44 -3.194 -8.741 8.447 248 1HZ LYS 44 1HZ LYS 44 -3.338 -11.429 7.998 249 2HZ LYS 44 2HZ LYS 44 -1.770 -11.160 8.367 250 3HZ LYS 44 3HZ LYS 44 -2.944 -10.694 9.402 251 H ARG 45 H ARG 45 -9.166 -7.772 5.829 252 HA ARG 45 HA ARG 45 -9.909 -8.882 3.429 253 1HB ARG 45 1HB ARG 45 -11.140 -8.266 5.879 254 2HB ARG 45 2HB ARG 45 -12.036 -7.287 4.734 255 1HG ARG 45 1HG ARG 45 -13.081 -9.105 3.849 256 2HG ARG 45 2HG ARG 45 -11.571 -9.974 3.657 257 1HD ARG 45 1HD ARG 45 -12.487 -9.721 6.484 258 2HD ARG 45 2HD ARG 45 -13.558 -10.657 5.460 259 HE ARG 45 HE ARG 45 -11.058 -11.555 6.466 260 1HH1 ARG 45 2HH2 ARG 45 -12.801 -11.491 3.410 261 2HH1 ARG 45 1HH2 ARG 45 -12.035 -12.918 2.797 262 1HH2 ARG 45 2HH1 ARG 45 -10.046 -13.438 5.658 263 2HH2 ARG 45 1HH1 ARG 45 -10.457 -14.033 4.084 264 H GLU 46 H GLU 46 -10.352 -5.483 4.663 265 HA GLU 46 HA GLU 46 -11.279 -4.628 2.117 266 1HB GLU 46 1HB GLU 46 -10.383 -2.644 4.181 267 2HB GLU 46 2HB GLU 46 -11.819 -2.634 3.177 268 1HG GLU 46 1HG GLU 46 -12.312 -4.877 4.680 269 2HG GLU 46 2HG GLU 46 -11.360 -3.952 5.824 270 H VAL 47 H VAL 47 -8.220 -4.576 3.972 271 HA VAL 47 HA VAL 47 -6.880 -2.727 2.340 272 HB VAL 47 HB VAL 47 -6.410 -4.184 4.668 273 1HG1 VAL 47 1HG1 VAL 47 -5.432 -5.961 3.154 274 2HG1 VAL 47 2HG1 VAL 47 -4.170 -4.784 2.716 275 3HG1 VAL 47 3HG1 VAL 47 -4.332 -5.329 4.403 276 1HG2 VAL 47 1HG2 VAL 47 -5.739 -1.787 3.765 277 2HG2 VAL 47 2HG2 VAL 47 -4.822 -2.570 5.074 278 3HG2 VAL 47 3HG2 VAL 47 -4.198 -2.603 3.408 279 H ASN 48 H ASN 48 -7.763 -6.114 1.958 280 HA ASN 48 HA ASN 48 -5.778 -6.590 -0.020 281 1HB ASN 48 1HB ASN 48 -8.153 -8.108 1.103 282 2HB ASN 48 2HB ASN 48 -7.446 -8.657 -0.404 283 1HD2 ASN 48 1HD2 ASN 48 -7.273 -10.467 1.360 284 2HD2 ASN 48 2HD2 ASN 48 -5.729 -10.603 2.133 285 H LYS 49 H LYS 49 -9.413 -6.299 0.094 286 HA LYS 49 HA LYS 49 -9.824 -6.422 -2.651 287 1HB LYS 49 1HB LYS 49 -11.474 -6.594 -0.656 288 2HB LYS 49 2HB LYS 49 -11.573 -4.849 -0.764 289 1HG LYS 49 1HG LYS 49 -13.241 -5.316 -2.278 290 2HG LYS 49 2HG LYS 49 -11.899 -5.439 -3.398 291 1HD LYS 49 1HD LYS 49 -11.822 -7.861 -3.178 292 2HD LYS 49 2HD LYS 49 -12.930 -7.837 -1.820 293 1HE LYS 49 1HE LYS 49 -14.800 -7.531 -3.160 294 2HE LYS 49 2HE LYS 49 -13.937 -6.561 -4.337 295 1HZ LYS 49 1HZ LYS 49 -12.800 -8.656 -4.990 296 2HZ LYS 49 2HZ LYS 49 -13.852 -9.478 -4.049 297 3HZ LYS 49 3HZ LYS 49 -14.398 -8.617 -5.325 298 H ALA 50 H ALA 50 -8.805 -3.769 -0.507 299 HA ALA 50 HA ALA 50 -9.272 -1.735 -2.448 300 1HB ALA 50 1HB ALA 50 -9.311 -1.041 -0.193 301 2HB ALA 50 2HB ALA 50 -7.824 -1.935 0.204 302 3HB ALA 50 3HB ALA 50 -7.737 -0.459 -0.788 303 H LEU 51 H LEU 51 -6.353 -3.503 -1.210 304 HA LEU 51 HA LEU 51 -4.511 -2.232 -2.840 305 1HB LEU 51 1HB LEU 51 -4.657 -4.744 -1.281 306 2HB LEU 51 2HB LEU 51 -3.436 -4.689 -2.536 307 HG LEU 51 HG LEU 51 -2.349 -2.809 -1.540 308 1HD1 LEU 51 1HD1 LEU 51 -3.223 -1.342 -0.052 309 2HD1 LEU 51 2HD1 LEU 51 -4.752 -1.918 -0.756 310 3HD1 LEU 51 3HD1 LEU 51 -4.178 -2.585 0.791 311 1HD2 LEU 51 1HD2 LEU 51 -2.043 -5.130 -0.540 312 2HD2 LEU 51 2HD2 LEU 51 -1.533 -3.748 0.459 313 3HD2 LEU 51 3HD2 LEU 51 -3.073 -4.574 0.801 314 H TYR 52 H TYR 52 -6.803 -4.892 -3.486 315 HA TYR 52 HA TYR 52 -5.641 -5.698 -5.925 316 1HB TYR 52 1HB TYR 52 -7.212 -7.193 -4.914 317 2HB TYR 52 2HB TYR 52 -8.252 -5.886 -4.386 318 HD1 TYR 52 1HD TYR 52 -10.005 -5.012 -5.821 319 HD2 TYR 52 2HD TYR 52 -7.360 -8.067 -7.224 320 HE1 TYR 52 1HE TYR 52 -11.550 -5.455 -7.791 321 HE2 TYR 52 2HE TYR 52 -8.914 -8.500 -9.189 322 HH TYR 52 HH TYR 52 -11.156 -6.422 -10.203 323 H ASP 53 H ASP 53 -8.509 -3.585 -5.183 324 HA ASP 53 HA ASP 53 -9.123 -2.990 -7.767 325 1HB ASP 53 1HB ASP 53 -9.972 -2.197 -5.226 326 2HB ASP 53 2HB ASP 53 -9.365 -0.697 -5.899 327 H LEU 54 H LEU 54 -6.899 -1.322 -5.428 328 HA LEU 54 HA LEU 54 -6.182 0.761 -7.172 329 1HB LEU 54 1HB LEU 54 -5.009 -0.405 -4.663 330 2HB LEU 54 2HB LEU 54 -4.175 0.859 -5.545 331 HG LEU 54 HG LEU 54 -6.836 0.999 -4.134 332 1HD1 LEU 54 1HD1 LEU 54 -4.115 1.998 -3.676 333 2HD1 LEU 54 2HD1 LEU 54 -5.381 3.235 -3.492 334 3HD1 LEU 54 3HD1 LEU 54 -5.456 1.736 -2.536 335 1HD2 LEU 54 1HD2 LEU 54 -6.739 3.462 -5.077 336 2HD2 LEU 54 2HD2 LEU 54 -5.854 2.676 -6.407 337 3HD2 LEU 54 3HD2 LEU 54 -7.503 2.145 -5.999 338 H GLN 55 H GLN 55 -5.119 -2.601 -6.777 339 HA GLN 55 HA GLN 55 -2.692 -2.282 -8.133 340 1HB GLN 55 1HB GLN 55 -3.148 -4.203 -6.661 341 2HB GLN 55 2HB GLN 55 -4.445 -4.741 -7.709 342 1HG GLN 55 1HG GLN 55 -2.360 -6.027 -8.129 343 2HG GLN 55 2HG GLN 55 -2.853 -5.135 -9.555 344 1HE2 GLN 55 1HE2 GLN 55 -0.378 -5.800 -7.400 345 2HE2 GLN 55 2HE2 GLN 55 0.756 -4.566 -7.838 346 H ARG 56 H ARG 56 -6.065 -2.868 -9.148 347 HA ARG 56 HA ARG 56 -5.226 -3.405 -11.830 348 1HB ARG 56 1HB ARG 56 -7.796 -3.470 -10.286 349 2HB ARG 56 2HB ARG 56 -7.954 -3.113 -11.994 350 1HG ARG 56 1HG ARG 56 -8.097 -5.567 -11.522 351 2HG ARG 56 2HG ARG 56 -6.774 -5.175 -12.603 352 1HD ARG 56 1HD ARG 56 -5.154 -5.294 -10.740 353 2HD ARG 56 2HD ARG 56 -6.449 -5.534 -9.584 354 HE ARG 56 HE ARG 56 -6.750 -7.570 -11.514 355 1HH1 ARG 56 2HH2 ARG 56 -4.323 -6.568 -9.172 356 2HH1 ARG 56 1HH2 ARG 56 -3.700 -8.168 -8.941 357 1HH2 ARG 56 2HH1 ARG 56 -5.929 -9.681 -11.211 358 2HH2 ARG 56 1HH1 ARG 56 -4.620 -9.951 -10.109 359 H SER 57 H SER 57 -5.999 -0.681 -9.828 360 HA SER 57 HA SER 57 -7.043 0.932 -11.921 361 1HB SER 57 1HB SER 57 -7.228 2.638 -10.282 362 2HB SER 57 2HB SER 57 -7.507 1.153 -9.395 363 HG SER 57 HG SER 57 -5.169 1.217 -8.820 364 H ALA 58 H ALA 58 -3.878 0.246 -10.424 365 HA ALA 58 HA ALA 58 -1.844 0.585 -11.323 366 1HB ALA 58 1HB ALA 58 -3.284 1.027 -13.531 367 2HB ALA 58 2HB ALA 58 -2.771 2.705 -13.233 368 3HB ALA 58 3HB ALA 58 -1.551 1.427 -13.452 369 H MET 59 H MET 59 -3.620 2.244 -9.343 370 HA MET 59 HA MET 59 -2.398 4.806 -9.439 371 1HB MET 59 1HB MET 59 -4.022 3.388 -7.253 372 2HB MET 59 2HB MET 59 -3.638 5.098 -7.250 373 1HG MET 59 1HG MET 59 -4.950 4.052 -9.738 374 2HG MET 59 2HG MET 59 -5.950 4.084 -8.299 375 1HE MET 59 1HE MET 59 -5.439 7.432 -11.037 376 2HE MET 59 2HE MET 59 -4.540 5.903 -11.185 377 3HE MET 59 3HE MET 59 -6.316 5.884 -11.068 378 H VAL 60 H VAL 60 -1.809 1.692 -7.827 379 HA VAL 60 HA VAL 60 0.548 2.910 -6.569 380 HB VAL 60 HB VAL 60 0.243 1.575 -4.635 381 1HG1 VAL 60 1HG1 VAL 60 -1.376 3.654 -5.233 382 2HG1 VAL 60 2HG1 VAL 60 -2.597 2.395 -4.933 383 3HG1 VAL 60 3HG1 VAL 60 -1.408 2.800 -3.672 384 1HG2 VAL 60 1HG2 VAL 60 -2.265 0.354 -5.814 385 2HG2 VAL 60 2HG2 VAL 60 -0.667 -0.422 -5.924 386 3HG2 VAL 60 3HG2 VAL 60 -1.398 -0.114 -4.331 387 H TYR 61 H TYR 61 2.352 1.336 -6.236 388 HA TYR 61 HA TYR 61 2.210 -0.837 -8.216 389 1HB TYR 61 1HB TYR 61 4.053 1.492 -7.717 390 2HB TYR 61 2HB TYR 61 4.887 -0.027 -7.981 391 HD1 TYR 61 1HD TYR 61 5.883 0.347 -10.092 392 HD2 TYR 61 2HD TYR 61 1.696 1.061 -9.579 393 HE1 TYR 61 1HE TYR 61 5.619 0.643 -12.603 394 HE2 TYR 61 2HE TYR 61 1.446 1.355 -12.092 395 HH TYR 61 HH TYR 61 4.286 1.243 -14.211 396 H SER 62 H SER 62 4.755 -1.931 -7.727 397 HA SER 62 HA SER 62 4.574 -2.602 -4.897 398 1HB SER 62 1HB SER 62 3.713 -4.336 -6.752 399 2HB SER 62 2HB SER 62 5.422 -4.692 -6.898 400 HG SER 62 HG SER 62 4.883 -4.608 -4.256 401 H SER 63 H SER 63 6.705 -3.717 -4.128 402 HA SER 63 HA SER 63 8.827 -2.048 -5.011 403 1HB SER 63 1HB SER 63 8.246 -3.820 -2.732 404 2HB SER 63 2HB SER 63 9.909 -3.960 -3.264 405 HG SER 63 HG SER 63 10.344 -1.998 -2.506 406 H ASP 64 H ASP 64 7.722 -5.390 -5.487 407 HA ASP 64 HA ASP 64 8.294 -6.804 -7.068 408 1HB ASP 64 1HB ASP 64 9.468 -4.609 -8.132 409 2HB ASP 64 2HB ASP 64 10.926 -5.487 -7.715 410 H ASP 65 H ASP 65 9.176 -6.706 -4.206 411 HA ASP 65 HA ASP 65 11.016 -8.837 -4.333 412 1HB ASP 65 1HB ASP 65 12.261 -6.393 -4.340 413 2HB ASP 65 2HB ASP 65 12.077 -6.625 -2.612 414 H ILE 66 H ILE 66 11.457 -9.644 -1.991 415 HA ILE 66 HA ILE 66 9.089 -9.101 -0.399 416 HB ILE 66 HB ILE 66 11.203 -11.250 -0.316 417 1HG1 ILE 66 1HG1 ILE 66 8.296 -11.794 -0.703 418 2HG1 ILE 66 2HG1 ILE 66 9.154 -11.053 -2.039 419 1HG2 ILE 66 1HG2 ILE 66 10.258 -12.197 1.574 420 2HG2 ILE 66 2HG2 ILE 66 10.232 -10.459 1.958 421 3HG2 ILE 66 3HG2 ILE 66 8.745 -11.272 1.414 422 1HD1 ILE 66 1HD1 ILE 66 9.100 -13.765 -1.516 423 2HD1 ILE 66 2HD1 ILE 66 10.343 -12.950 -2.494 424 3HD1 ILE 66 3HD1 ILE 66 10.643 -13.284 -0.772 425 HA PRO 67 HA PRO 67 8.472 -9.296 1.428 426 1HB PRO 67 1HB PRO 67 7.266 -7.516 3.115 427 2HB PRO 67 2HB PRO 67 8.086 -8.961 3.673 428 1HG PRO 67 1HG PRO 67 8.994 -6.151 3.796 429 2HG PRO 67 2HG PRO 67 9.575 -7.533 4.704 430 1HD PRO 67 1HD PRO 67 10.860 -6.289 2.461 431 2HD PRO 67 2HD PRO 67 11.380 -7.740 3.295 432 HA PRO 68 HA PRO 68 6.330 -6.915 -1.357 433 1HB PRO 68 1HB PRO 68 3.690 -7.389 -0.831 434 2HB PRO 68 2HB PRO 68 4.706 -8.507 -1.719 435 1HG PRO 68 1HG PRO 68 3.736 -8.697 1.066 436 2HG PRO 68 2HG PRO 68 4.377 -9.964 0.038 437 1HD PRO 68 1HD PRO 68 5.746 -8.635 2.180 438 2HD PRO 68 2HD PRO 68 6.422 -9.818 1.078 439 H ARG 69 H ARG 69 6.407 -4.775 -1.534 440 HA ARG 69 HA ARG 69 4.881 -3.402 0.529 441 1HB ARG 69 1HB ARG 69 7.553 -2.534 -0.688 442 2HB ARG 69 2HB ARG 69 6.609 -1.563 0.425 443 1HG ARG 69 1HG ARG 69 6.739 -3.816 1.913 444 2HG ARG 69 2HG ARG 69 8.184 -4.075 0.956 445 1HD ARG 69 1HD ARG 69 7.901 -1.311 2.044 446 2HD ARG 69 2HD ARG 69 8.092 -2.556 3.262 447 HE ARG 69 HE ARG 69 10.089 -1.745 1.251 448 1HH1 ARG 69 2HH2 ARG 69 9.131 -4.163 3.620 449 2HH1 ARG 69 1HH2 ARG 69 10.729 -4.810 3.795 450 1HH2 ARG 69 2HH1 ARG 69 12.197 -2.598 1.481 451 2HH2 ARG 69 1HH1 ARG 69 12.484 -3.914 2.570 452 H TRP 70 H TRP 70 3.440 -1.849 -0.252 453 HA TRP 70 HA TRP 70 3.207 -1.642 -3.116 454 1HB TRP 70 1HB TRP 70 1.554 -0.472 -0.870 455 2HB TRP 70 2HB TRP 70 1.170 -0.348 -2.575 456 HD1 TRP 70 HD TRP 70 1.382 -3.034 0.214 457 HE1 TRP 70 1HE TRP 70 -0.084 -5.142 -0.394 458 HE3 TRP 70 3HE TRP 70 0.190 -1.503 -4.486 459 HZ2 TRP 70 2HZ TRP 70 -1.546 -5.915 -2.721 460 HZ3 TRP 70 3HZ TRP 70 -1.261 -2.993 -5.860 461 HH2 TRP 70 HH TRP 70 -2.122 -5.132 -5.048 462 H PHE 71 H PHE 71 4.225 -0.079 -4.294 463 HA PHE 71 HA PHE 71 5.100 2.307 -2.824 464 1HB PHE 71 1HB PHE 71 6.173 0.620 -5.134 465 2HB PHE 71 2HB PHE 71 6.675 2.294 -5.008 466 HD1 PHE 71 1HD PHE 71 6.077 0.948 -1.790 467 HD2 PHE 71 2HD PHE 71 8.954 1.052 -4.907 468 HE1 PHE 71 1HE PHE 71 7.868 0.288 -0.159 469 HE2 PHE 71 2HE PHE 71 10.745 0.392 -3.277 470 HZ PHE 71 HZ PHE 71 10.180 0.018 -0.922 471 H MET 72 H MET 72 5.761 3.959 -4.964 472 HA MET 72 HA MET 72 3.145 4.289 -6.217 473 1HB MET 72 1HB MET 72 3.934 6.774 -6.327 474 2HB MET 72 2HB MET 72 3.515 6.156 -4.742 475 1HG MET 72 1HG MET 72 5.747 6.074 -4.022 476 2HG MET 72 2HG MET 72 6.378 5.849 -5.641 477 1HE MET 72 1HE MET 72 6.577 9.089 -3.097 478 2HE MET 72 2HE MET 72 7.190 7.430 -3.300 479 3HE MET 72 3HE MET 72 7.978 8.779 -4.151 480 H THR 73 H THR 73 3.431 3.315 -8.227 481 HA THR 73 HA THR 73 4.233 2.951 -10.272 482 HB THR 73 HB THR 73 3.617 5.469 -10.266 483 HG1 THR 73 1HG THR 73 4.913 5.621 -12.352 484 1HG2 THR 73 1HG2 THR 73 6.592 5.551 -9.760 485 2HG2 THR 73 2HG2 THR 73 5.926 6.700 -10.944 486 3HG2 THR 73 3HG2 THR 73 5.335 6.709 -9.265 487 H THR 74 H THR 74 6.134 2.536 -11.623 488 HA THR 74 HA THR 74 8.119 1.512 -11.760 489 HB THR 74 HB THR 74 8.596 4.025 -11.917 490 HG1 THR 74 1HG THR 74 10.551 3.074 -12.319 491 1HG2 THR 74 1HG2 THR 74 9.096 3.528 -8.977 492 2HG2 THR 74 2HG2 THR 74 10.223 4.594 -9.850 493 3HG2 THR 74 3HG2 THR 74 8.491 4.997 -9.781 Start of MODEL 2 1 H ARG 13 H ARG 13 -10.768 8.796 -3.693 2 HA ARG 13 HA ARG 13 -10.658 10.293 -2.128 3 1HB ARG 13 1HB ARG 13 -12.636 11.073 -3.833 4 2HB ARG 13 2HB ARG 13 -13.572 11.018 -2.353 5 1HG ARG 13 1HG ARG 13 -12.754 13.235 -2.369 6 2HG ARG 13 2HG ARG 13 -11.637 12.419 -1.294 7 1HD ARG 13 1HD ARG 13 -9.878 12.475 -2.837 8 2HD ARG 13 2HD ARG 13 -10.946 12.434 -4.226 9 HE ARG 13 HE ARG 13 -11.124 14.778 -4.152 10 1HH1 ARG 13 2HH2 ARG 13 -9.659 13.605 -1.175 11 2HH1 ARG 13 1HH2 ARG 13 -9.222 15.185 -0.617 12 1HH2 ARG 13 2HH1 ARG 13 -10.546 16.863 -3.416 13 2HH2 ARG 13 1HH1 ARG 13 -9.730 17.051 -1.900 14 H SER 14 H SER 14 -10.431 8.662 -0.389 15 HA SER 14 HA SER 14 -12.163 9.132 1.711 16 1HB SER 14 1HB SER 14 -13.442 7.426 0.072 17 2HB SER 14 2HB SER 14 -12.448 6.246 0.902 18 HG SER 14 HG SER 14 -14.530 7.909 1.928 19 H ASN 15 H ASN 15 -10.468 6.156 0.459 20 HA ASN 15 HA ASN 15 -8.744 6.379 2.798 21 1HB ASN 15 1HB ASN 15 -8.346 3.809 1.865 22 2HB ASN 15 2HB ASN 15 -9.508 4.226 3.108 23 1HD2 ASN 15 1HD2 ASN 15 -9.024 2.892 0.070 24 2HD2 ASN 15 2HD2 ASN 15 -10.662 2.775 -0.481 25 H ALA 16 H ALA 16 -8.900 5.226 -0.659 26 HA ALA 16 HA ALA 16 -6.309 4.791 -1.211 27 1HB ALA 16 1HB ALA 16 -8.413 4.694 -2.705 28 2HB ALA 16 2HB ALA 16 -8.077 6.402 -3.074 29 3HB ALA 16 3HB ALA 16 -6.879 5.151 -3.483 30 H GLU 17 H GLU 17 -7.940 7.984 -0.888 31 HA GLU 17 HA GLU 17 -5.784 9.480 -1.785 32 1HB GLU 17 1HB GLU 17 -6.937 11.386 -0.729 33 2HB GLU 17 2HB GLU 17 -8.082 10.368 -1.579 34 1HG GLU 17 1HG GLU 17 -8.618 9.214 0.610 35 2HG GLU 17 2HG GLU 17 -7.547 10.334 1.429 36 H ILE 18 H ILE 18 -6.770 8.381 1.516 37 HA ILE 18 HA ILE 18 -4.599 9.709 2.783 38 HB ILE 18 HB ILE 18 -6.712 7.752 3.591 39 1HG1 ILE 18 1HG1 ILE 18 -6.003 10.383 4.880 40 2HG1 ILE 18 2HG1 ILE 18 -6.950 10.332 3.406 41 1HG2 ILE 18 1HG2 ILE 18 -4.113 8.217 4.965 42 2HG2 ILE 18 2HG2 ILE 18 -5.581 8.176 5.970 43 3HG2 ILE 18 3HG2 ILE 18 -5.167 6.783 4.943 44 1HD1 ILE 18 1HD1 ILE 18 -8.670 10.218 4.959 45 2HD1 ILE 18 2HD1 ILE 18 -8.337 8.479 4.779 46 3HD1 ILE 18 3HD1 ILE 18 -7.667 9.374 6.164 47 H VAL 19 H VAL 19 -5.320 6.236 1.995 48 HA VAL 19 HA VAL 19 -3.053 5.090 2.917 49 HB VAL 19 HB VAL 19 -4.349 4.456 0.263 50 1HG1 VAL 19 1HG1 VAL 19 -2.528 3.030 0.435 51 2HG1 VAL 19 2HG1 VAL 19 -2.635 2.932 2.209 52 3HG1 VAL 19 3HG1 VAL 19 -3.816 2.067 1.196 53 1HG2 VAL 19 1HG2 VAL 19 -5.526 4.520 2.896 54 2HG2 VAL 19 2HG2 VAL 19 -6.272 4.102 1.335 55 3HG2 VAL 19 3HG2 VAL 19 -5.463 2.844 2.301 56 H CYS 20 H CYS 20 -3.487 6.982 -0.112 57 HA CYS 20 HA CYS 20 -0.924 6.429 -1.109 58 1HB CYS 20 1HB CYS 20 -3.099 8.378 -1.739 59 2HB CYS 20 2HB CYS 20 -1.492 8.750 -2.329 60 HG CYS 20 HG CYS 20 -3.205 7.429 -4.047 61 H GLU 21 H GLU 21 -2.287 9.505 0.303 62 HA GLU 21 HA GLU 21 -0.083 10.931 0.562 63 1HB GLU 21 1HB GLU 21 -2.623 11.147 1.526 64 2HB GLU 21 2HB GLU 21 -1.770 10.882 3.033 65 1HG GLU 21 1HG GLU 21 -0.120 12.732 2.220 66 2HG GLU 21 2HG GLU 21 -1.329 13.112 1.010 67 H ALA 22 H ALA 22 -0.863 7.991 2.373 68 HA ALA 22 HA ALA 22 1.110 8.408 4.394 69 1HB ALA 22 1HB ALA 22 0.347 6.380 5.246 70 2HB ALA 22 2HB ALA 22 -1.085 6.943 4.351 71 3HB ALA 22 3HB ALA 22 -0.012 5.716 3.634 72 H ILE 23 H ILE 23 0.849 5.902 1.767 73 HA ILE 23 HA ILE 23 3.454 5.060 1.911 74 HB ILE 23 HB ILE 23 1.657 3.920 0.722 75 1HG1 ILE 23 1HG1 ILE 23 4.211 3.693 0.213 76 2HG1 ILE 23 2HG1 ILE 23 3.031 2.883 -0.798 77 1HG2 ILE 23 1HG2 ILE 23 0.329 5.149 -0.582 78 2HG2 ILE 23 2HG2 ILE 23 1.550 6.431 -0.768 79 3HG2 ILE 23 3HG2 ILE 23 1.597 4.997 -1.822 80 1HD1 ILE 23 1HD1 ILE 23 3.471 4.213 -2.618 81 2HD1 ILE 23 2HD1 ILE 23 3.674 5.676 -1.624 82 3HD1 ILE 23 3HD1 ILE 23 5.009 4.508 -1.771 83 H LYS 24 H LYS 24 2.167 8.092 0.753 84 HA LYS 24 HA LYS 24 4.379 8.681 -0.956 85 1HB LYS 24 1HB LYS 24 1.826 9.630 -0.710 86 2HB LYS 24 2HB LYS 24 2.730 10.903 0.084 87 1HG LYS 24 1HG LYS 24 4.340 10.686 -2.026 88 2HG LYS 24 2HG LYS 24 2.949 9.927 -2.773 89 1HD LYS 24 1HD LYS 24 2.394 12.478 -1.309 90 2HD LYS 24 2HD LYS 24 3.376 12.634 -2.752 91 1HE LYS 24 1HE LYS 24 1.654 11.514 -4.112 92 2HE LYS 24 2HE LYS 24 0.701 11.159 -2.685 93 1HZ LYS 24 1HZ LYS 24 -0.222 13.126 -2.912 94 2HZ LYS 24 2HZ LYS 24 1.212 13.875 -2.693 95 3HZ LYS 24 3HZ LYS 24 0.716 13.486 -4.199 96 H THR 25 H THR 25 3.310 9.701 2.356 97 HA THR 25 HA THR 25 5.486 11.354 2.882 98 HB THR 25 HB THR 25 3.416 9.819 4.467 99 HG1 THR 25 1HG THR 25 4.425 12.555 4.130 100 1HG2 THR 25 1HG2 THR 25 4.291 10.576 6.572 101 2HG2 THR 25 2HG2 THR 25 5.687 9.825 5.763 102 3HG2 THR 25 3HG2 THR 25 5.517 11.596 5.782 103 H ILE 26 H ILE 26 5.172 7.810 2.979 104 HA ILE 26 HA ILE 26 7.381 7.250 4.545 105 HB ILE 26 HB ILE 26 6.189 5.740 2.218 106 1HG1 ILE 26 1HG1 ILE 26 4.535 6.111 3.908 107 2HG1 ILE 26 2HG1 ILE 26 5.059 4.443 4.013 108 1HG2 ILE 26 1HG2 ILE 26 8.318 5.001 4.209 109 2HG2 ILE 26 2HG2 ILE 26 7.238 3.761 3.527 110 3HG2 ILE 26 3HG2 ILE 26 8.266 4.736 2.449 111 1HD1 ILE 26 1HD1 ILE 26 6.675 5.136 5.853 112 2HD1 ILE 26 2HD1 ILE 26 5.920 6.748 5.815 113 3HD1 ILE 26 3HD1 ILE 26 4.955 5.324 6.271 114 H GLY 27 H GLY 27 7.791 6.156 1.226 115 1HA GLY 27 1HA GLY 27 9.210 7.707 -0.229 116 2HA GLY 27 2HA GLY 27 10.325 7.659 1.123 117 H ILE 28 H ILE 28 10.868 5.319 1.953 118 HA ILE 28 HA ILE 28 11.158 3.601 -0.414 119 HB ILE 28 HB ILE 28 13.320 3.147 0.099 120 1HG1 ILE 28 1HG1 ILE 28 14.150 3.840 2.564 121 2HG1 ILE 28 2HG1 ILE 28 12.467 3.514 2.929 122 1HG2 ILE 28 1HG2 ILE 28 12.916 5.934 1.216 123 2HG2 ILE 28 2HG2 ILE 28 14.484 5.236 0.744 124 3HG2 ILE 28 3HG2 ILE 28 13.217 5.488 -0.481 125 1HD1 ILE 28 1HD1 ILE 28 12.794 1.301 1.583 126 2HD1 ILE 28 2HD1 ILE 28 14.535 1.628 1.753 127 3HD1 ILE 28 3HD1 ILE 28 13.525 1.408 3.203 128 H GLU 29 H GLU 29 10.343 3.932 3.028 129 HA GLU 29 HA GLU 29 10.240 1.201 3.573 130 1HB GLU 29 1HB GLU 29 10.087 3.450 5.083 131 2HB GLU 29 2HB GLU 29 8.380 3.065 5.007 132 1HG GLU 29 1HG GLU 29 9.092 1.871 6.915 133 2HG GLU 29 2HG GLU 29 9.091 0.637 5.671 134 H GLY 30 H GLY 30 8.390 3.072 1.444 135 1HA GLY 30 1HA GLY 30 6.286 2.904 0.592 136 2HA GLY 30 2HA GLY 30 6.757 1.222 0.451 137 H ALA 31 H ALA 31 4.498 0.595 0.715 138 HA ALA 31 HA ALA 31 3.730 0.602 3.543 139 1HB ALA 31 1HB ALA 31 1.921 1.856 3.104 140 2HB ALA 31 2HB ALA 31 2.422 1.997 1.402 141 3HB ALA 31 3HB ALA 31 1.378 0.650 1.913 142 H THR 32 H THR 32 4.379 -1.538 3.875 143 HA THR 32 HA THR 32 3.629 -3.559 1.960 144 HB THR 32 HB THR 32 5.799 -3.473 3.326 145 HG1 THR 32 1HG THR 32 5.392 -5.860 3.898 146 1HG2 THR 32 1HG2 THR 32 4.187 -3.076 5.524 147 2HG2 THR 32 2HG2 THR 32 4.351 -4.848 5.556 148 3HG2 THR 32 3HG2 THR 32 5.802 -3.818 5.617 149 H ALA 33 H ALA 33 3.058 -5.644 3.928 150 HA ALA 33 HA ALA 33 0.233 -5.167 4.081 151 1HB ALA 33 1HB ALA 33 2.126 -7.461 4.543 152 2HB ALA 33 2HB ALA 33 0.480 -7.549 5.214 153 3HB ALA 33 3HB ALA 33 0.717 -7.353 3.461 154 H ALA 34 H ALA 34 2.582 -6.389 6.572 155 HA ALA 34 HA ALA 34 1.148 -5.986 8.785 156 1HB ALA 34 1HB ALA 34 3.727 -5.034 9.442 157 2HB ALA 34 2HB ALA 34 3.137 -6.711 9.540 158 3HB ALA 34 3HB ALA 34 3.957 -6.140 8.067 159 H GLN 35 H GLN 35 3.100 -3.439 7.093 160 HA GLN 35 HA GLN 35 2.842 -1.382 8.720 161 1HB GLN 35 1HB GLN 35 2.805 -1.657 5.746 162 2HB GLN 35 2HB GLN 35 2.298 -0.098 6.366 163 1HG GLN 35 1HG GLN 35 4.504 -0.455 7.913 164 2HG GLN 35 2HG GLN 35 4.984 -1.433 6.540 165 1HE2 GLN 35 1HE2 GLN 35 3.118 1.580 6.920 166 2HE2 GLN 35 2HE2 GLN 35 4.052 2.556 5.835 167 H LEU 36 H LEU 36 0.446 -1.570 6.004 168 HA LEU 36 HA LEU 36 -1.410 0.085 7.098 169 1HB LEU 36 1HB LEU 36 -1.590 -2.222 5.191 170 2HB LEU 36 2HB LEU 36 -3.042 -1.379 5.694 171 HG LEU 36 HG LEU 36 -1.931 0.771 4.907 172 1HD1 LEU 36 1HD1 LEU 36 -0.124 0.551 3.255 173 2HD1 LEU 36 2HD1 LEU 36 0.378 0.011 4.874 174 3HD1 LEU 36 3HD1 LEU 36 -0.012 -1.188 3.617 175 1HD2 LEU 36 1HD2 LEU 36 -2.676 -1.437 2.982 176 2HD2 LEU 36 2HD2 LEU 36 -3.701 -0.127 3.615 177 3HD2 LEU 36 3HD2 LEU 36 -2.385 0.244 2.475 178 H THR 37 H THR 37 -1.156 -3.505 7.507 179 HA THR 37 HA THR 37 -3.408 -3.875 9.051 180 HB THR 37 HB THR 37 -0.663 -5.230 9.051 181 HG1 THR 37 1HG THR 37 -2.101 -5.146 7.092 182 1HG2 THR 37 1HG2 THR 37 -2.899 -5.652 10.840 183 2HG2 THR 37 2HG2 THR 37 -2.855 -6.999 9.677 184 3HG2 THR 37 3HG2 THR 37 -1.427 -6.639 10.677 185 H ARG 38 H ARG 38 -0.526 -2.087 9.818 186 HA ARG 38 HA ARG 38 -1.069 -2.334 12.636 187 1HB ARG 38 1HB ARG 38 1.265 -1.844 11.058 188 2HB ARG 38 2HB ARG 38 0.990 -0.371 11.966 189 1HG ARG 38 1HG ARG 38 0.728 -1.861 14.059 190 2HG ARG 38 2HG ARG 38 1.322 -3.189 13.082 191 1HD ARG 38 1HD ARG 38 3.061 -0.870 12.741 192 2HD ARG 38 2HD ARG 38 2.868 -1.214 14.448 193 HE ARG 38 HE ARG 38 3.333 -3.718 13.426 194 1HH1 ARG 38 2HH2 ARG 38 5.006 -0.649 13.016 195 2HH1 ARG 38 1HH2 ARG 38 6.555 -1.381 12.762 196 1HH2 ARG 38 2HH1 ARG 38 5.377 -4.684 13.091 197 2HH2 ARG 38 1HH1 ARG 38 6.767 -3.692 12.805 198 H GLN 39 H GLN 39 -1.234 -0.015 9.909 199 HA GLN 39 HA GLN 39 -1.709 2.254 11.442 200 1HB GLN 39 1HB GLN 39 -1.666 1.509 8.638 201 2HB GLN 39 2HB GLN 39 -3.065 2.520 8.940 202 1HG GLN 39 1HG GLN 39 -1.771 4.373 9.153 203 2HG GLN 39 2HG GLN 39 -0.770 3.603 10.367 204 1HE2 GLN 39 1HE2 GLN 39 0.468 1.597 9.200 205 2HE2 GLN 39 2HE2 GLN 39 1.456 2.090 7.866 206 H LEU 40 H LEU 40 -3.762 -0.437 10.402 207 HA LEU 40 HA LEU 40 -6.088 0.991 11.486 208 1HB LEU 40 1HB LEU 40 -7.221 -1.034 10.193 209 2HB LEU 40 2HB LEU 40 -6.857 0.507 9.442 210 HG LEU 40 HG LEU 40 -4.793 -1.662 9.320 211 1HD1 LEU 40 1HD1 LEU 40 -5.912 -3.049 7.979 212 2HD1 LEU 40 2HD1 LEU 40 -7.385 -2.241 8.566 213 3HD1 LEU 40 3HD1 LEU 40 -6.627 -1.714 7.044 214 1HD2 LEU 40 1HD2 LEU 40 -4.315 0.618 8.488 215 2HD2 LEU 40 2HD2 LEU 40 -4.228 -0.620 7.212 216 3HD2 LEU 40 3HD2 LEU 40 -5.648 0.449 7.320 217 H ASN 41 H ASN 41 -4.901 -2.427 11.103 218 HA ASN 41 HA ASN 41 -4.499 -2.966 13.701 219 1HB ASN 41 1HB ASN 41 -7.315 -2.580 13.264 220 2HB ASN 41 2HB ASN 41 -7.083 -4.303 13.484 221 1HD2 ASN 41 1HD2 ASN 41 -5.440 -1.435 14.810 222 2HD2 ASN 41 2HD2 ASN 41 -5.669 -1.804 16.487 223 H MET 42 H MET 42 -6.618 -4.304 11.045 224 HA MET 42 HA MET 42 -4.768 -6.037 10.043 225 1HB MET 42 1HB MET 42 -5.338 -6.969 12.528 226 2HB MET 42 2HB MET 42 -6.710 -7.674 11.697 227 1HG MET 42 1HG MET 42 -5.383 -9.344 10.923 228 2HG MET 42 2HG MET 42 -4.417 -8.173 10.046 229 1HE MET 42 1HE MET 42 -5.070 -10.212 13.029 230 2HE MET 42 2HE MET 42 -3.681 -11.067 12.318 231 3HE MET 42 3HE MET 42 -3.532 -10.306 13.920 232 H GLU 43 H GLU 43 -6.883 -4.276 9.188 233 HA GLU 43 HA GLU 43 -9.061 -5.946 8.403 234 1HB GLU 43 1HB GLU 43 -8.993 -3.346 8.959 235 2HB GLU 43 2HB GLU 43 -8.569 -3.191 7.265 236 1HG GLU 43 1HG GLU 43 -10.699 -3.625 6.594 237 2HG GLU 43 2HG GLU 43 -10.802 -5.058 7.598 238 H LYS 44 H LYS 44 -6.921 -7.263 7.441 239 HA LYS 44 HA LYS 44 -5.814 -6.483 5.054 240 1HB LYS 44 1HB LYS 44 -4.957 -8.362 6.258 241 2HB LYS 44 2HB LYS 44 -6.482 -9.219 6.160 242 1HG LYS 44 1HG LYS 44 -6.022 -10.017 4.075 243 2HG LYS 44 2HG LYS 44 -5.528 -8.440 3.491 244 1HD LYS 44 1HD LYS 44 -3.301 -8.855 3.860 245 2HD LYS 44 2HD LYS 44 -3.598 -9.642 5.397 246 1HE LYS 44 1HE LYS 44 -3.453 -11.700 4.447 247 2HE LYS 44 2HE LYS 44 -4.677 -11.295 3.259 248 1HZ LYS 44 1HZ LYS 44 -2.230 -10.003 2.699 249 2HZ LYS 44 2HZ LYS 44 -2.028 -11.621 2.788 250 3HZ LYS 44 3HZ LYS 44 -3.118 -10.990 1.748 251 H ARG 45 H ARG 45 -9.111 -7.393 5.794 252 HA ARG 45 HA ARG 45 -9.829 -8.319 3.284 253 1HB ARG 45 1HB ARG 45 -11.169 -7.464 5.770 254 2HB ARG 45 2HB ARG 45 -12.114 -7.047 4.354 255 1HG ARG 45 1HG ARG 45 -12.854 -9.199 4.389 256 2HG ARG 45 2HG ARG 45 -11.281 -9.636 3.751 257 1HD ARG 45 1HD ARG 45 -10.814 -10.779 5.655 258 2HD ARG 45 2HD ARG 45 -10.964 -9.304 6.589 259 HE ARG 45 HE ARG 45 -13.024 -11.382 6.243 260 1HH1 ARG 45 2HH2 ARG 45 -12.338 -8.084 7.260 261 2HH1 ARG 45 1HH2 ARG 45 -13.759 -7.955 8.242 262 1HH2 ARG 45 2HH1 ARG 45 -14.899 -11.212 7.539 263 2HH2 ARG 45 1HH1 ARG 45 -15.225 -9.746 8.401 264 H GLU 46 H GLU 46 -10.066 -5.036 4.825 265 HA GLU 46 HA GLU 46 -11.037 -3.899 2.407 266 1HB GLU 46 1HB GLU 46 -11.279 -1.902 3.641 267 2HB GLU 46 2HB GLU 46 -11.526 -3.150 4.846 268 1HG GLU 46 1HG GLU 46 -9.981 -1.862 5.994 269 2HG GLU 46 2HG GLU 46 -8.865 -2.914 5.145 270 H VAL 47 H VAL 47 -7.910 -4.241 4.099 271 HA VAL 47 HA VAL 47 -6.537 -2.341 2.511 272 HB VAL 47 HB VAL 47 -6.072 -3.744 4.822 273 1HG1 VAL 47 1HG1 VAL 47 -4.275 -5.233 4.585 274 2HG1 VAL 47 2HG1 VAL 47 -5.375 -5.677 3.258 275 3HG1 VAL 47 3HG1 VAL 47 -3.927 -4.698 2.923 276 1HG2 VAL 47 1HG2 VAL 47 -4.936 -1.802 4.877 277 2HG2 VAL 47 2HG2 VAL 47 -3.582 -2.751 4.218 278 3HG2 VAL 47 3HG2 VAL 47 -4.631 -1.817 3.123 279 H ASN 48 H ASN 48 -7.592 -5.665 2.072 280 HA ASN 48 HA ASN 48 -5.666 -6.212 0.059 281 1HB ASN 48 1HB ASN 48 -6.552 -8.105 1.292 282 2HB ASN 48 2HB ASN 48 -8.208 -7.603 1.019 283 1HD2 ASN 48 1HD2 ASN 48 -8.998 -9.305 -0.039 284 2HD2 ASN 48 2HD2 ASN 48 -8.445 -9.894 -1.571 285 H LYS 49 H LYS 49 -9.274 -5.689 0.209 286 HA LYS 49 HA LYS 49 -9.696 -5.703 -2.541 287 1HB LYS 49 1HB LYS 49 -11.270 -5.642 -0.322 288 2HB LYS 49 2HB LYS 49 -11.455 -3.992 -0.880 289 1HG LYS 49 1HG LYS 49 -12.137 -4.773 -3.119 290 2HG LYS 49 2HG LYS 49 -11.818 -6.437 -2.673 291 1HD LYS 49 1HD LYS 49 -13.641 -6.474 -1.090 292 2HD LYS 49 2HD LYS 49 -13.809 -4.730 -1.125 293 1HE LYS 49 1HE LYS 49 -14.112 -6.164 -3.750 294 2HE LYS 49 2HE LYS 49 -15.397 -6.390 -2.579 295 1HZ LYS 49 1HZ LYS 49 -16.099 -4.346 -2.948 296 2HZ LYS 49 2HZ LYS 49 -14.621 -3.682 -2.745 297 3HZ LYS 49 3HZ LYS 49 -15.067 -4.249 -4.210 298 H ALA 50 H ALA 50 -8.540 -3.185 -0.305 299 HA ALA 50 HA ALA 50 -8.905 -1.054 -2.154 300 1HB ALA 50 1HB ALA 50 -8.800 -0.852 0.354 301 2HB ALA 50 2HB ALA 50 -7.064 -1.238 0.263 302 3HB ALA 50 3HB ALA 50 -7.689 0.241 -0.506 303 H LEU 51 H LEU 51 -6.077 -3.048 -1.059 304 HA LEU 51 HA LEU 51 -4.197 -1.811 -2.679 305 1HB LEU 51 1HB LEU 51 -4.447 -4.354 -1.190 306 2HB LEU 51 2HB LEU 51 -3.262 -4.341 -2.481 307 HG LEU 51 HG LEU 51 -2.020 -2.578 -1.472 308 1HD1 LEU 51 1HD1 LEU 51 -4.274 -1.455 -0.675 309 2HD1 LEU 51 2HD1 LEU 51 -3.866 -2.265 0.857 310 3HD1 LEU 51 3HD1 LEU 51 -2.725 -1.109 0.131 311 1HD2 LEU 51 1HD2 LEU 51 -2.841 -4.334 0.847 312 2HD2 LEU 51 2HD2 LEU 51 -1.843 -4.914 -0.508 313 3HD2 LEU 51 3HD2 LEU 51 -1.257 -3.588 0.525 314 H TYR 52 H TYR 52 -6.664 -4.293 -3.368 315 HA TYR 52 HA TYR 52 -5.596 -5.099 -5.849 316 1HB TYR 52 1HB TYR 52 -7.250 -6.514 -4.853 317 2HB TYR 52 2HB TYR 52 -8.193 -5.154 -4.276 318 HD1 TYR 52 1HD TYR 52 -9.872 -4.092 -5.690 319 HD2 TYR 52 2HD TYR 52 -7.511 -7.344 -7.156 320 HE1 TYR 52 1HE TYR 52 -11.467 -4.375 -7.649 321 HE2 TYR 52 2HE TYR 52 -9.114 -7.617 -9.111 322 HH TYR 52 HH TYR 52 -11.603 -7.071 -9.485 323 H ASP 53 H ASP 53 -8.281 -2.804 -4.984 324 HA ASP 53 HA ASP 53 -8.893 -2.091 -7.544 325 1HB ASP 53 1HB ASP 53 -9.705 -1.359 -4.997 326 2HB ASP 53 2HB ASP 53 -8.945 0.121 -5.548 327 H LEU 54 H LEU 54 -6.613 -0.554 -5.157 328 HA LEU 54 HA LEU 54 -5.767 1.533 -6.769 329 1HB LEU 54 1HB LEU 54 -4.532 0.046 -4.467 330 2HB LEU 54 2HB LEU 54 -3.674 1.343 -5.275 331 HG LEU 54 HG LEU 54 -6.330 1.555 -3.834 332 1HD1 LEU 54 1HD1 LEU 54 -3.680 2.856 -3.166 333 2HD1 LEU 54 2HD1 LEU 54 -5.176 2.862 -2.201 334 3HD1 LEU 54 3HD1 LEU 54 -4.269 1.347 -2.428 335 1HD2 LEU 54 1HD2 LEU 54 -5.189 3.234 -5.903 336 2HD2 LEU 54 2HD2 LEU 54 -6.784 3.313 -5.115 337 3HD2 LEU 54 3HD2 LEU 54 -5.385 4.129 -4.376 338 H GLN 55 H GLN 55 -4.721 -1.894 -6.575 339 HA GLN 55 HA GLN 55 -2.441 -1.615 -8.104 340 1HB GLN 55 1HB GLN 55 -2.955 -3.629 -6.782 341 2HB GLN 55 2HB GLN 55 -4.330 -3.991 -7.806 342 1HG GLN 55 1HG GLN 55 -2.989 -4.635 -9.629 343 2HG GLN 55 2HG GLN 55 -1.628 -3.659 -9.114 344 1HE2 GLN 55 1HE2 GLN 55 -0.206 -4.396 -7.580 345 2HE2 GLN 55 2HE2 GLN 55 -0.135 -6.040 -7.042 346 H ARG 56 H ARG 56 -5.868 -2.307 -9.034 347 HA ARG 56 HA ARG 56 -5.208 -2.534 -11.761 348 1HB ARG 56 1HB ARG 56 -7.775 -2.342 -10.160 349 2HB ARG 56 2HB ARG 56 -7.854 -2.169 -11.902 350 1HG ARG 56 1HG ARG 56 -8.184 -4.505 -11.488 351 2HG ARG 56 2HG ARG 56 -6.538 -4.371 -12.074 352 1HD ARG 56 1HD ARG 56 -5.704 -4.375 -9.702 353 2HD ARG 56 2HD ARG 56 -7.353 -4.539 -9.131 354 HE ARG 56 HE ARG 56 -7.363 -6.797 -9.806 355 1HH1 ARG 56 2HH2 ARG 56 -4.527 -5.166 -11.102 356 2HH1 ARG 56 1HH2 ARG 56 -3.768 -6.630 -11.630 357 1HH2 ARG 56 2HH1 ARG 56 -6.362 -8.730 -10.502 358 2HH2 ARG 56 1HH1 ARG 56 -4.819 -8.671 -11.287 359 H SER 57 H SER 57 -5.632 0.107 -9.571 360 HA SER 57 HA SER 57 -6.601 1.912 -11.570 361 1HB SER 57 1HB SER 57 -5.808 2.177 -8.653 362 2HB SER 57 2HB SER 57 -6.098 3.603 -9.629 363 HG SER 57 HG SER 57 -8.172 1.993 -10.126 364 H ALA 58 H ALA 58 -3.542 0.956 -9.997 365 HA ALA 58 HA ALA 58 -1.453 1.243 -10.767 366 1HB ALA 58 1HB ALA 58 -2.776 1.849 -13.020 367 2HB ALA 58 2HB ALA 58 -2.156 3.473 -12.639 368 3HB ALA 58 3HB ALA 58 -1.025 2.116 -12.854 369 H MET 59 H MET 59 -3.137 2.814 -8.726 370 HA MET 59 HA MET 59 -1.884 5.370 -8.697 371 1HB MET 59 1HB MET 59 -3.416 3.966 -6.446 372 2HB MET 59 2HB MET 59 -3.212 5.694 -6.653 373 1HG MET 59 1HG MET 59 -4.360 4.830 -9.093 374 2HG MET 59 2HG MET 59 -5.202 3.904 -7.866 375 1HE MET 59 1HE MET 59 -4.411 8.327 -7.484 376 2HE MET 59 2HE MET 59 -3.508 7.113 -8.423 377 3HE MET 59 3HE MET 59 -4.911 7.936 -9.147 378 H VAL 60 H VAL 60 -0.996 2.189 -7.734 379 HA VAL 60 HA VAL 60 1.275 3.281 -6.291 380 HB VAL 60 HB VAL 60 0.999 1.845 -4.400 381 1HG1 VAL 60 1HG1 VAL 60 -0.139 4.055 -4.367 382 2HG1 VAL 60 2HG1 VAL 60 -1.638 3.263 -4.910 383 3HG1 VAL 60 3HG1 VAL 60 -0.934 2.847 -3.329 384 1HG2 VAL 60 1HG2 VAL 60 -1.695 0.918 -5.404 385 2HG2 VAL 60 2HG2 VAL 60 -0.200 0.032 -5.792 386 3HG2 VAL 60 3HG2 VAL 60 -0.693 0.247 -4.095 387 H TYR 61 H TYR 61 2.961 1.502 -5.938 388 HA TYR 61 HA TYR 61 2.712 -0.508 -8.072 389 1HB TYR 61 1HB TYR 61 4.726 1.623 -7.364 390 2HB TYR 61 2HB TYR 61 5.432 0.068 -7.755 391 HD1 TYR 61 1HD TYR 61 6.449 0.420 -9.841 392 HD2 TYR 61 2HD TYR 61 2.401 1.674 -9.248 393 HE1 TYR 61 1HE TYR 61 6.244 0.955 -12.318 394 HE2 TYR 61 2HE TYR 61 2.210 2.204 -11.727 395 HH TYR 61 HH TYR 61 3.644 1.138 -13.911 396 H SER 62 H SER 62 5.138 -1.840 -7.619 397 HA SER 62 HA SER 62 4.841 -2.679 -4.843 398 1HB SER 62 1HB SER 62 3.855 -4.229 -6.730 399 2HB SER 62 2HB SER 62 5.529 -4.632 -7.055 400 HG SER 62 HG SER 62 4.347 -6.046 -5.480 401 H SER 63 H SER 63 6.846 -3.794 -3.975 402 HA SER 63 HA SER 63 9.106 -2.300 -4.751 403 1HB SER 63 1HB SER 63 8.466 -3.178 -2.398 404 2HB SER 63 2HB SER 63 9.098 -4.727 -2.918 405 HG SER 63 HG SER 63 10.993 -2.990 -3.592 406 H ASP 64 H ASP 64 7.854 -5.587 -5.347 407 HA ASP 64 HA ASP 64 8.381 -6.986 -6.954 408 1HB ASP 64 1HB ASP 64 9.564 -4.810 -8.009 409 2HB ASP 64 2HB ASP 64 11.028 -5.678 -7.589 410 H ASP 65 H ASP 65 9.125 -7.234 -4.176 411 HA ASP 65 HA ASP 65 11.053 -9.260 -4.399 412 1HB ASP 65 1HB ASP 65 12.447 -7.081 -4.295 413 2HB ASP 65 2HB ASP 65 11.853 -6.888 -2.658 414 H ILE 66 H ILE 66 11.514 -10.148 -2.028 415 HA ILE 66 HA ILE 66 9.035 -9.810 -0.515 416 HB ILE 66 HB ILE 66 10.998 -12.022 -0.900 417 1HG1 ILE 66 1HG1 ILE 66 8.501 -13.104 -0.670 418 2HG1 ILE 66 2HG1 ILE 66 8.112 -11.516 -1.301 419 1HG2 ILE 66 1HG2 ILE 66 9.781 -11.309 1.670 420 2HG2 ILE 66 2HG2 ILE 66 9.419 -12.969 1.140 421 3HG2 ILE 66 3HG2 ILE 66 11.109 -12.433 1.293 422 1HD1 ILE 66 1HD1 ILE 66 10.406 -12.972 -2.589 423 2HD1 ILE 66 2HD1 ILE 66 8.760 -13.562 -2.920 424 3HD1 ILE 66 3HD1 ILE 66 9.200 -11.884 -3.318 425 HA PRO 67 HA PRO 67 8.319 -10.069 1.219 426 1HB PRO 67 1HB PRO 67 7.127 -8.357 2.985 427 2HB PRO 67 2HB PRO 67 7.825 -9.893 3.461 428 1HG PRO 67 1HG PRO 67 8.892 -7.166 3.869 429 2HG PRO 67 2HG PRO 67 9.336 -8.652 4.685 430 1HD PRO 67 1HD PRO 67 10.820 -7.316 2.625 431 2HD PRO 67 2HD PRO 67 11.203 -8.860 3.360 432 HA PRO 68 HA PRO 68 6.479 -7.335 -1.457 433 1HB PRO 68 1HB PRO 68 3.790 -7.662 -1.094 434 2HB PRO 68 2HB PRO 68 4.774 -8.777 -2.021 435 1HG PRO 68 1HG PRO 68 3.651 -9.112 0.693 436 2HG PRO 68 2HG PRO 68 4.258 -10.337 -0.403 437 1HD PRO 68 1HD PRO 68 5.600 -9.277 1.900 438 2HD PRO 68 2HD PRO 68 6.252 -10.417 0.739 439 H ARG 69 H ARG 69 6.302 -5.186 -1.690 440 HA ARG 69 HA ARG 69 4.921 -3.884 0.497 441 1HB ARG 69 1HB ARG 69 7.665 -3.053 -0.578 442 2HB ARG 69 2HB ARG 69 6.724 -2.118 0.567 443 1HG ARG 69 1HG ARG 69 6.721 -4.503 1.877 444 2HG ARG 69 2HG ARG 69 8.217 -4.690 0.983 445 1HD ARG 69 1HD ARG 69 7.937 -2.013 2.232 446 2HD ARG 69 2HD ARG 69 7.937 -3.320 3.399 447 HE ARG 69 HE ARG 69 10.177 -2.504 1.681 448 1HH1 ARG 69 2HH2 ARG 69 8.837 -5.067 3.684 449 2HH1 ARG 69 1HH2 ARG 69 10.368 -5.829 3.958 450 1HH2 ARG 69 2HH1 ARG 69 12.198 -3.508 2.041 451 2HH2 ARG 69 1HH1 ARG 69 12.293 -4.936 3.016 452 H TRP 70 H TRP 70 3.744 -2.021 -0.158 453 HA TRP 70 HA TRP 70 3.546 -1.693 -3.034 454 1HB TRP 70 1HB TRP 70 1.894 -0.514 -0.793 455 2HB TRP 70 2HB TRP 70 1.557 -0.371 -2.507 456 HD1 TRP 70 HD TRP 70 1.669 -3.120 0.242 457 HE1 TRP 70 1HE TRP 70 0.091 -5.139 -0.389 458 HE3 TRP 70 3HE TRP 70 0.451 -1.405 -4.387 459 HZ2 TRP 70 2HZ TRP 70 -1.453 -5.778 -2.702 460 HZ3 TRP 70 3HZ TRP 70 -1.097 -2.787 -5.767 461 HH2 TRP 70 HH TRP 70 -2.041 -4.905 -4.994 462 H PHE 71 H PHE 71 4.693 -0.121 -4.075 463 HA PHE 71 HA PHE 71 5.649 2.111 -2.424 464 1HB PHE 71 1HB PHE 71 6.730 0.440 -4.724 465 2HB PHE 71 2HB PHE 71 7.260 2.108 -4.626 466 HD1 PHE 71 1HD PHE 71 6.555 0.636 -1.435 467 HD2 PHE 71 2HD PHE 71 9.548 1.034 -4.416 468 HE1 PHE 71 1HE PHE 71 8.308 -0.020 0.237 469 HE2 PHE 71 2HE PHE 71 11.301 0.378 -2.744 470 HZ PHE 71 HZ PHE 71 10.660 -0.141 -0.437 471 H MET 72 H MET 72 6.491 3.843 -4.437 472 HA MET 72 HA MET 72 3.955 4.395 -5.774 473 1HB MET 72 1HB MET 72 5.358 5.943 -3.895 474 2HB MET 72 2HB MET 72 5.874 6.647 -5.415 475 1HG MET 72 1HG MET 72 3.336 6.691 -6.046 476 2HG MET 72 2HG MET 72 3.035 6.391 -4.346 477 1HE MET 72 1HE MET 72 5.211 10.031 -6.114 478 2HE MET 72 2HE MET 72 5.409 8.333 -6.608 479 3HE MET 72 3HE MET 72 3.900 9.199 -6.985 480 H THR 73 H THR 73 4.240 3.646 -7.861 481 HA THR 73 HA THR 73 5.293 3.203 -9.805 482 HB THR 73 HB THR 73 4.298 5.383 -10.231 483 HG1 THR 73 1HG THR 73 5.763 5.831 -11.899 484 1HG2 THR 73 1HG2 THR 73 5.187 6.690 -8.324 485 2HG2 THR 73 2HG2 THR 73 6.845 6.502 -8.945 486 3HG2 THR 73 3HG2 THR 73 5.660 7.476 -9.849 487 H THR 74 H THR 74 6.916 1.851 -8.601 488 HA THR 74 HA THR 74 9.580 3.092 -8.826 489 HB THR 74 HB THR 74 8.817 2.405 -6.508 490 HG1 THR 74 1HG THR 74 10.865 0.838 -7.913 491 1HG2 THR 74 1HG2 THR 74 8.953 -0.396 -7.747 492 2HG2 THR 74 2HG2 THR 74 8.782 -0.036 -6.012 493 3HG2 THR 74 3HG2 THR 74 7.471 0.381 -7.141 Start of MODEL 3 1 H ARG 13 H ARG 13 -10.001 8.077 -3.145 2 HA ARG 13 HA ARG 13 -10.495 9.766 -1.889 3 1HB ARG 13 1HB ARG 13 -12.368 10.063 -3.735 4 2HB ARG 13 2HB ARG 13 -13.469 9.530 -2.481 5 1HG ARG 13 1HG ARG 13 -13.511 11.851 -2.161 6 2HG ARG 13 2HG ARG 13 -12.290 11.373 -0.999 7 1HD ARG 13 1HD ARG 13 -10.594 12.403 -2.159 8 2HD ARG 13 2HD ARG 13 -11.195 11.866 -3.715 9 HE ARG 13 HE ARG 13 -11.892 14.372 -2.332 10 1HH1 ARG 13 2HH2 ARG 13 -12.740 12.114 -4.894 11 2HH1 ARG 13 1HH2 ARG 13 -13.667 13.275 -5.785 12 1HH2 ARG 13 2HH1 ARG 13 -13.114 15.904 -3.507 13 2HH2 ARG 13 1HH1 ARG 13 -13.881 15.445 -4.991 14 H SER 14 H SER 14 -9.947 8.278 -0.074 15 HA SER 14 HA SER 14 -11.687 8.433 1.994 16 1HB SER 14 1HB SER 14 -12.629 6.451 0.255 17 2HB SER 14 2HB SER 14 -11.764 5.531 1.471 18 HG SER 14 HG SER 14 -13.447 7.594 2.446 19 H ASN 15 H ASN 15 -9.704 5.690 0.633 20 HA ASN 15 HA ASN 15 -8.007 5.995 2.983 21 1HB ASN 15 1HB ASN 15 -7.319 3.536 1.943 22 2HB ASN 15 2HB ASN 15 -8.539 3.757 3.181 23 1HD2 ASN 15 1HD2 ASN 15 -9.643 1.931 2.499 24 2HD2 ASN 15 2HD2 ASN 15 -10.628 1.897 1.075 25 H ALA 16 H ALA 16 -8.086 5.110 -0.548 26 HA ALA 16 HA ALA 16 -5.483 4.922 -1.157 27 1HB ALA 16 1HB ALA 16 -6.103 5.477 -3.379 28 2HB ALA 16 2HB ALA 16 -7.587 4.825 -2.645 29 3HB ALA 16 3HB ALA 16 -7.386 6.583 -2.834 30 H GLU 17 H GLU 17 -7.271 7.872 -0.252 31 HA GLU 17 HA GLU 17 -5.294 9.654 -1.104 32 1HB GLU 17 1HB GLU 17 -6.516 11.313 0.239 33 2HB GLU 17 2HB GLU 17 -7.642 10.316 -0.661 34 1HG GLU 17 1HG GLU 17 -7.817 8.837 1.452 35 2HG GLU 17 2HG GLU 17 -6.941 10.097 2.298 36 H ILE 18 H ILE 18 -6.062 8.171 2.116 37 HA ILE 18 HA ILE 18 -3.854 9.433 3.384 38 HB ILE 18 HB ILE 18 -5.817 7.289 4.132 39 1HG1 ILE 18 1HG1 ILE 18 -6.693 9.519 4.193 40 2HG1 ILE 18 2HG1 ILE 18 -6.458 8.973 5.841 41 1HG2 ILE 18 1HG2 ILE 18 -3.423 8.199 5.751 42 2HG2 ILE 18 2HG2 ILE 18 -4.804 7.283 6.401 43 3HG2 ILE 18 3HG2 ILE 18 -3.764 6.557 5.152 44 1HD1 ILE 18 1HD1 ILE 18 -5.435 11.028 6.047 45 2HD1 ILE 18 2HD1 ILE 18 -4.029 10.126 5.435 46 3HD1 ILE 18 3HD1 ILE 18 -5.012 11.105 4.320 47 H VAL 19 H VAL 19 -4.495 6.212 1.905 48 HA VAL 19 HA VAL 19 -2.168 4.962 2.721 49 HB VAL 19 HB VAL 19 -3.779 4.665 0.179 50 1HG1 VAL 19 1HG1 VAL 19 -1.494 3.668 0.034 51 2HG1 VAL 19 2HG1 VAL 19 -1.882 2.664 1.451 52 3HG1 VAL 19 3HG1 VAL 19 -2.803 2.466 -0.059 53 1HG2 VAL 19 1HG2 VAL 19 -5.067 4.387 2.283 54 2HG2 VAL 19 2HG2 VAL 19 -4.949 2.881 1.341 55 3HG2 VAL 19 3HG2 VAL 19 -3.932 3.111 2.784 56 H CYS 20 H CYS 20 -2.828 7.112 -0.102 57 HA CYS 20 HA CYS 20 -0.262 6.798 -1.205 58 1HB CYS 20 1HB CYS 20 -2.305 7.595 -2.435 59 2HB CYS 20 2HB CYS 20 -2.174 9.123 -1.588 60 HG CYS 20 HG CYS 20 0.555 7.906 -2.876 61 H GLU 21 H GLU 21 -1.841 9.293 0.910 62 HA GLU 21 HA GLU 21 0.262 11.015 1.082 63 1HB GLU 21 1HB GLU 21 -2.262 10.727 2.274 64 2HB GLU 21 2HB GLU 21 -1.163 10.704 3.639 65 1HG GLU 21 1HG GLU 21 -0.173 12.770 1.978 66 2HG GLU 21 2HG GLU 21 -1.914 12.947 1.898 67 H ALA 22 H ALA 22 -0.149 7.815 2.497 68 HA ALA 22 HA ALA 22 1.946 8.223 4.444 69 1HB ALA 22 1HB ALA 22 -0.251 6.437 4.046 70 2HB ALA 22 2HB ALA 22 1.239 5.463 4.062 71 3HB ALA 22 3HB ALA 22 0.858 6.529 5.435 72 H ILE 23 H ILE 23 1.451 5.776 1.797 73 HA ILE 23 HA ILE 23 3.999 4.903 1.608 74 HB ILE 23 HB ILE 23 2.051 3.998 0.425 75 1HG1 ILE 23 1HG1 ILE 23 4.466 3.491 -0.186 76 2HG1 ILE 23 2HG1 ILE 23 3.250 3.114 -1.390 77 1HG2 ILE 23 1HG2 ILE 23 2.179 5.533 -1.992 78 2HG2 ILE 23 2HG2 ILE 23 0.789 5.222 -0.924 79 3HG2 ILE 23 3HG2 ILE 23 1.847 6.622 -0.623 80 1HD1 ILE 23 1HD1 ILE 23 5.530 4.796 -1.696 81 2HD1 ILE 23 2HD1 ILE 23 4.239 4.495 -2.884 82 3HD1 ILE 23 3HD1 ILE 23 4.107 5.863 -1.753 83 H LYS 24 H LYS 24 2.717 8.055 0.672 84 HA LYS 24 HA LYS 24 5.034 8.696 -0.912 85 1HB LYS 24 1HB LYS 24 2.554 10.197 -0.067 86 2HB LYS 24 2HB LYS 24 3.889 11.006 -0.862 87 1HG LYS 24 1HG LYS 24 3.645 8.901 -2.553 88 2HG LYS 24 2HG LYS 24 1.999 8.933 -1.951 89 1HD LYS 24 1HD LYS 24 1.588 10.575 -3.467 90 2HD LYS 24 2HD LYS 24 2.540 11.640 -2.452 91 1HE LYS 24 1HE LYS 24 3.887 11.879 -4.282 92 2HE LYS 24 2HE LYS 24 4.534 10.313 -3.838 93 1HZ LYS 24 1HZ LYS 24 2.145 10.508 -5.508 94 2HZ LYS 24 2HZ LYS 24 3.635 10.622 -6.167 95 3HZ LYS 24 3HZ LYS 24 3.195 9.264 -5.373 96 H THR 25 H THR 25 3.589 9.831 2.223 97 HA THR 25 HA THR 25 5.640 11.514 2.964 98 HB THR 25 HB THR 25 3.596 9.812 4.442 99 HG1 THR 25 1HG THR 25 2.637 11.698 3.765 100 1HG2 THR 25 1HG2 THR 25 5.202 12.009 5.788 101 2HG2 THR 25 2HG2 THR 25 4.216 10.730 6.537 102 3HG2 THR 25 3HG2 THR 25 5.802 10.333 5.833 103 H ILE 26 H ILE 26 5.598 7.999 2.816 104 HA ILE 26 HA ILE 26 7.785 7.660 4.606 105 HB ILE 26 HB ILE 26 6.540 5.849 2.535 106 1HG1 ILE 26 1HG1 ILE 26 6.238 5.774 5.545 107 2HG1 ILE 26 2HG1 ILE 26 5.131 6.642 4.500 108 1HG2 ILE 26 1HG2 ILE 26 7.895 4.123 3.162 109 2HG2 ILE 26 2HG2 ILE 26 9.032 5.478 3.361 110 3HG2 ILE 26 3HG2 ILE 26 8.202 4.797 4.781 111 1HD1 ILE 26 1HD1 ILE 26 5.552 3.682 4.787 112 2HD1 ILE 26 2HD1 ILE 26 4.042 4.598 4.563 113 3HD1 ILE 26 3HD1 ILE 26 5.114 4.295 3.174 114 H GLY 27 H GLY 27 8.103 6.166 1.436 115 1HA GLY 27 1HA GLY 27 9.487 7.726 -0.164 116 2HA GLY 27 2HA GLY 27 10.673 7.525 1.110 117 H ILE 28 H ILE 28 11.193 5.198 1.788 118 HA ILE 28 HA ILE 28 11.072 3.491 -0.600 119 HB ILE 28 HB ILE 28 13.221 2.851 -0.290 120 1HG1 ILE 28 1HG1 ILE 28 14.266 3.419 2.158 121 2HG1 ILE 28 2HG1 ILE 28 12.599 3.101 2.596 122 1HG2 ILE 28 1HG2 ILE 28 14.613 4.808 0.355 123 2HG2 ILE 28 2HG2 ILE 28 13.304 5.202 -0.785 124 3HG2 ILE 28 3HG2 ILE 28 13.139 5.619 0.938 125 1HD1 ILE 28 1HD1 ILE 28 14.629 1.250 1.363 126 2HD1 ILE 28 2HD1 ILE 28 13.448 0.936 2.658 127 3HD1 ILE 28 3HD1 ILE 28 12.913 1.001 0.961 128 H GLU 29 H GLU 29 10.385 3.879 2.828 129 HA GLU 29 HA GLU 29 10.195 1.169 3.448 130 1HB GLU 29 1HB GLU 29 9.866 3.655 4.780 131 2HB GLU 29 2HB GLU 29 8.339 2.817 4.982 132 1HG GLU 29 1HG GLU 29 9.399 1.782 6.729 133 2HG GLU 29 2HG GLU 29 10.074 0.753 5.481 134 H GLY 30 H GLY 30 8.378 3.061 1.300 135 1HA GLY 30 1HA GLY 30 6.257 2.944 0.482 136 2HA GLY 30 2HA GLY 30 6.680 1.248 0.355 137 H ALA 31 H ALA 31 4.418 0.671 0.662 138 HA ALA 31 HA ALA 31 3.663 0.795 3.495 139 1HB ALA 31 1HB ALA 31 2.345 2.040 1.260 140 2HB ALA 31 2HB ALA 31 1.310 0.730 1.877 141 3HB ALA 31 3HB ALA 31 1.858 2.022 2.972 142 H THR 32 H THR 32 4.331 -1.317 3.947 143 HA THR 32 HA THR 32 3.614 -3.452 2.150 144 HB THR 32 HB THR 32 5.716 -3.082 3.778 145 HG1 THR 32 1HG THR 32 5.847 -5.427 3.609 146 1HG2 THR 32 1HG2 THR 32 3.665 -4.597 5.478 147 2HG2 THR 32 2HG2 THR 32 5.415 -4.555 5.802 148 3HG2 THR 32 3HG2 THR 32 4.453 -3.062 5.914 149 H ALA 33 H ALA 33 2.733 -5.537 3.506 150 HA ALA 33 HA ALA 33 0.022 -4.974 3.857 151 1HB ALA 33 1HB ALA 33 1.803 -7.246 3.811 152 2HB ALA 33 2HB ALA 33 0.678 -7.406 5.181 153 3HB ALA 33 3HB ALA 33 0.046 -7.196 3.531 154 H ALA 34 H ALA 34 2.376 -6.162 6.367 155 HA ALA 34 HA ALA 34 0.900 -5.836 8.572 156 1HB ALA 34 1HB ALA 34 3.457 -4.791 9.229 157 2HB ALA 34 2HB ALA 34 2.899 -6.476 9.370 158 3HB ALA 34 3HB ALA 34 3.707 -5.927 7.882 159 H GLN 35 H GLN 35 2.792 -3.211 6.929 160 HA GLN 35 HA GLN 35 2.460 -1.175 8.555 161 1HB GLN 35 1HB GLN 35 2.640 -1.496 5.649 162 2HB GLN 35 2HB GLN 35 1.735 -0.054 6.066 163 1HG GLN 35 1HG GLN 35 4.313 -0.608 7.543 164 2HG GLN 35 2HG GLN 35 4.408 -0.012 5.898 165 1HE2 GLN 35 1HE2 GLN 35 3.001 1.890 5.386 166 2HE2 GLN 35 2HE2 GLN 35 2.895 3.164 6.555 167 H LEU 36 H LEU 36 0.075 -1.318 5.840 168 HA LEU 36 HA LEU 36 -1.830 0.227 6.979 169 1HB LEU 36 1HB LEU 36 -2.009 -2.078 5.056 170 2HB LEU 36 2HB LEU 36 -3.434 -1.179 5.538 171 HG LEU 36 HG LEU 36 -2.286 0.920 4.729 172 1HD1 LEU 36 1HD1 LEU 36 -0.469 0.362 2.943 173 2HD1 LEU 36 2HD1 LEU 36 -0.016 0.504 4.659 174 3HD1 LEU 36 3HD1 LEU 36 -0.220 -1.104 3.922 175 1HD2 LEU 36 1HD2 LEU 36 -2.476 -0.905 2.382 176 2HD2 LEU 36 2HD2 LEU 36 -3.904 -0.752 3.433 177 3HD2 LEU 36 3HD2 LEU 36 -3.207 0.694 2.662 178 H THR 37 H THR 37 -1.549 -3.380 7.255 179 HA THR 37 HA THR 37 -3.746 -3.901 8.765 180 HB THR 37 HB THR 37 -1.007 -5.114 9.337 181 HG1 THR 37 1HG THR 37 -1.469 -6.273 7.292 182 1HG2 THR 37 1HG2 THR 37 -3.654 -6.499 8.738 183 2HG2 THR 37 2HG2 THR 37 -2.222 -7.165 9.560 184 3HG2 THR 37 3HG2 THR 37 -3.253 -5.974 10.390 185 H ARG 38 H ARG 38 -0.906 -2.049 9.711 186 HA ARG 38 HA ARG 38 -1.639 -2.260 12.476 187 1HB ARG 38 1HB ARG 38 0.774 -1.837 11.142 188 2HB ARG 38 2HB ARG 38 0.389 -0.223 11.706 189 1HG ARG 38 1HG ARG 38 0.480 -0.834 13.974 190 2HG ARG 38 2HG ARG 38 0.087 -2.512 13.651 191 1HD ARG 38 1HD ARG 38 2.283 -3.093 13.361 192 2HD ARG 38 2HD ARG 38 2.617 -1.693 12.362 193 HE ARG 38 HE ARG 38 3.474 -0.620 14.245 194 1HH1 ARG 38 2HH2 ARG 38 1.266 -3.146 15.306 195 2HH1 ARG 38 1HH2 ARG 38 1.596 -2.905 16.989 196 1HH2 ARG 38 2HH1 ARG 38 3.910 -0.301 16.465 197 2HH2 ARG 38 1HH1 ARG 38 3.110 -1.275 17.653 198 H GLN 39 H GLN 39 -1.481 0.202 9.826 199 HA GLN 39 HA GLN 39 -2.195 2.400 11.250 200 1HB GLN 39 1HB GLN 39 -2.308 1.538 8.422 201 2HB GLN 39 2HB GLN 39 -3.498 2.763 8.815 202 1HG GLN 39 1HG GLN 39 -1.415 3.850 8.099 203 2HG GLN 39 2HG GLN 39 -1.704 4.203 9.792 204 1HE2 GLN 39 1HE2 GLN 39 -0.082 1.876 7.653 205 2HE2 GLN 39 2HE2 GLN 39 1.311 1.593 8.643 206 H LEU 40 H LEU 40 -4.159 -0.376 10.271 207 HA LEU 40 HA LEU 40 -6.541 1.019 11.274 208 1HB LEU 40 1HB LEU 40 -7.579 -1.110 10.055 209 2HB LEU 40 2HB LEU 40 -7.282 0.420 9.255 210 HG LEU 40 HG LEU 40 -5.120 -1.654 9.218 211 1HD1 LEU 40 1HD1 LEU 40 -7.052 -1.802 6.983 212 2HD1 LEU 40 2HD1 LEU 40 -6.111 -3.082 7.786 213 3HD1 LEU 40 3HD1 LEU 40 -7.608 -2.475 8.534 214 1HD2 LEU 40 1HD2 LEU 40 -6.039 0.295 7.091 215 2HD2 LEU 40 2HD2 LEU 40 -4.804 0.662 8.320 216 3HD2 LEU 40 3HD2 LEU 40 -4.524 -0.640 7.138 217 H ASN 41 H ASN 41 -5.649 -2.474 10.949 218 HA ASN 41 HA ASN 41 -5.124 -2.876 13.616 219 1HB ASN 41 1HB ASN 41 -7.943 -2.560 13.087 220 2HB ASN 41 2HB ASN 41 -7.675 -4.259 13.422 221 1HD2 ASN 41 1HD2 ASN 41 -5.935 -1.406 14.611 222 2HD2 ASN 41 2HD2 ASN 41 -6.262 -1.627 16.298 223 H MET 42 H MET 42 -6.954 -4.186 10.762 224 HA MET 42 HA MET 42 -5.177 -5.938 9.877 225 1HB MET 42 1HB MET 42 -6.216 -6.841 12.457 226 2HB MET 42 2HB MET 42 -6.708 -7.979 11.219 227 1HG MET 42 1HG MET 42 -4.233 -7.939 10.420 228 2HG MET 42 2HG MET 42 -3.872 -7.114 11.923 229 1HE MET 42 1HE MET 42 -5.131 -8.119 14.253 230 2HE MET 42 2HE MET 42 -4.329 -9.656 14.657 231 3HE MET 42 3HE MET 42 -3.370 -8.282 14.056 232 H GLU 43 H GLU 43 -7.305 -4.354 8.917 233 HA GLU 43 HA GLU 43 -9.484 -6.110 8.334 234 1HB GLU 43 1HB GLU 43 -8.880 -3.312 7.279 235 2HB GLU 43 2HB GLU 43 -10.402 -4.162 7.105 236 1HG GLU 43 1HG GLU 43 -9.384 -3.971 9.906 237 2HG GLU 43 2HG GLU 43 -9.816 -2.439 9.173 238 H LYS 44 H LYS 44 -7.389 -7.494 7.420 239 HA LYS 44 HA LYS 44 -6.235 -6.953 5.033 240 1HB LYS 44 1HB LYS 44 -5.929 -8.950 6.593 241 2HB LYS 44 2HB LYS 44 -7.291 -9.689 5.775 242 1HG LYS 44 1HG LYS 44 -6.074 -10.141 3.888 243 2HG LYS 44 2HG LYS 44 -5.297 -8.571 3.894 244 1HD LYS 44 1HD LYS 44 -3.804 -9.371 5.782 245 2HD LYS 44 2HD LYS 44 -4.529 -10.960 5.636 246 1HE LYS 44 1HE LYS 44 -2.851 -11.375 4.139 247 2HE LYS 44 2HE LYS 44 -3.836 -10.471 3.007 248 1HZ LYS 44 1HZ LYS 44 -1.361 -9.812 3.685 249 2HZ LYS 44 2HZ LYS 44 -2.453 -8.746 3.103 250 3HZ LYS 44 3HZ LYS 44 -2.196 -8.856 4.712 251 H ARG 45 H ARG 45 -9.629 -7.643 5.701 252 HA ARG 45 HA ARG 45 -10.318 -8.451 3.137 253 1HB ARG 45 1HB ARG 45 -11.819 -7.282 5.498 254 2HB ARG 45 2HB ARG 45 -12.658 -7.454 3.969 255 1HG ARG 45 1HG ARG 45 -13.105 -9.574 4.712 256 2HG ARG 45 2HG ARG 45 -11.487 -9.928 4.140 257 1HD ARG 45 1HD ARG 45 -10.780 -9.057 6.576 258 2HD ARG 45 2HD ARG 45 -12.438 -9.465 6.972 259 HE ARG 45 HE ARG 45 -10.282 -11.338 6.409 260 1HH1 ARG 45 2HH2 ARG 45 -13.770 -10.907 6.240 261 2HH1 ARG 45 1HH2 ARG 45 -14.111 -12.605 6.301 262 1HH2 ARG 45 2HH1 ARG 45 -10.731 -13.577 6.489 263 2HH2 ARG 45 1HH1 ARG 45 -12.371 -14.133 6.444 264 H GLU 46 H GLU 46 -10.399 -5.228 4.806 265 HA GLU 46 HA GLU 46 -11.325 -3.933 2.459 266 1HB GLU 46 1HB GLU 46 -11.511 -2.034 3.790 267 2HB GLU 46 2HB GLU 46 -11.607 -3.288 5.009 268 1HG GLU 46 1HG GLU 46 -9.079 -3.067 5.319 269 2HG GLU 46 2HG GLU 46 -9.125 -1.683 4.246 270 H VAL 47 H VAL 47 -8.186 -4.491 4.091 271 HA VAL 47 HA VAL 47 -6.731 -2.646 2.525 272 HB VAL 47 HB VAL 47 -6.293 -4.077 4.785 273 1HG1 VAL 47 1HG1 VAL 47 -5.904 -6.110 3.248 274 2HG1 VAL 47 2HG1 VAL 47 -4.365 -5.324 2.823 275 3HG1 VAL 47 3HG1 VAL 47 -4.695 -5.777 4.512 276 1HG2 VAL 47 1HG2 VAL 47 -5.111 -2.081 4.434 277 2HG2 VAL 47 2HG2 VAL 47 -3.842 -3.329 4.471 278 3HG2 VAL 47 3HG2 VAL 47 -4.391 -2.663 2.914 279 H ASN 48 H ASN 48 -7.908 -5.949 2.051 280 HA ASN 48 HA ASN 48 -6.095 -6.545 -0.020 281 1HB ASN 48 1HB ASN 48 -8.646 -7.749 1.076 282 2HB ASN 48 2HB ASN 48 -8.116 -8.277 -0.509 283 1HD2 ASN 48 1HD2 ASN 48 -7.882 -10.352 0.487 284 2HD2 ASN 48 2HD2 ASN 48 -6.445 -10.763 1.362 285 H LYS 49 H LYS 49 -9.687 -5.882 0.075 286 HA LYS 49 HA LYS 49 -10.046 -5.687 -2.659 287 1HB LYS 49 1HB LYS 49 -11.687 -5.728 -0.548 288 2HB LYS 49 2HB LYS 49 -11.700 -3.999 -0.833 289 1HG LYS 49 1HG LYS 49 -12.546 -4.251 -3.061 290 2HG LYS 49 2HG LYS 49 -12.120 -5.949 -3.127 291 1HD LYS 49 1HD LYS 49 -14.408 -6.119 -2.712 292 2HD LYS 49 2HD LYS 49 -13.796 -6.160 -1.071 293 1HE LYS 49 1HE LYS 49 -14.024 -3.467 -1.347 294 2HE LYS 49 2HE LYS 49 -15.247 -3.951 -2.505 295 1HZ LYS 49 1HZ LYS 49 -16.399 -3.905 -0.558 296 2HZ LYS 49 2HZ LYS 49 -15.989 -5.485 -0.598 297 3HZ LYS 49 3HZ LYS 49 -15.162 -4.451 0.359 298 H ALA 50 H ALA 50 -8.679 -3.413 -0.315 299 HA ALA 50 HA ALA 50 -8.929 -1.144 -2.027 300 1HB ALA 50 1HB ALA 50 -8.830 -1.009 0.449 301 2HB ALA 50 2HB ALA 50 -7.169 -1.646 0.408 302 3HB ALA 50 3HB ALA 50 -7.533 -0.062 -0.318 303 H LEU 51 H LEU 51 -6.120 -3.180 -0.924 304 HA LEU 51 HA LEU 51 -4.214 -2.049 -2.521 305 1HB LEU 51 1HB LEU 51 -4.615 -4.621 -1.144 306 2HB LEU 51 2HB LEU 51 -3.470 -4.671 -2.470 307 HG LEU 51 HG LEU 51 -2.123 -4.227 -0.644 308 1HD1 LEU 51 1HD1 LEU 51 -1.970 -2.514 -2.559 309 2HD1 LEU 51 2HD1 LEU 51 -2.710 -1.373 -1.411 310 3HD1 LEU 51 3HD1 LEU 51 -1.151 -2.140 -1.023 311 1HD2 LEU 51 1HD2 LEU 51 -2.708 -2.440 1.072 312 2HD2 LEU 51 2HD2 LEU 51 -4.346 -2.454 0.374 313 3HD2 LEU 51 3HD2 LEU 51 -3.676 -3.934 1.101 314 H TYR 52 H TYR 52 -6.633 -4.594 -3.333 315 HA TYR 52 HA TYR 52 -5.634 -5.171 -5.877 316 1HB TYR 52 1HB TYR 52 -8.350 -5.210 -4.449 317 2HB TYR 52 2HB TYR 52 -8.226 -5.768 -6.106 318 HD1 TYR 52 1HD TYR 52 -8.605 -7.012 -3.014 319 HD2 TYR 52 2HD TYR 52 -5.821 -7.334 -6.246 320 HE1 TYR 52 1HE TYR 52 -7.908 -9.315 -2.194 321 HE2 TYR 52 2HE TYR 52 -5.132 -9.635 -5.415 322 HH TYR 52 HH TYR 52 -5.160 -10.782 -3.067 323 H ASP 53 H ASP 53 -8.629 -3.259 -5.099 324 HA ASP 53 HA ASP 53 -9.167 -2.304 -7.497 325 1HB ASP 53 1HB ASP 53 -10.031 -1.733 -4.984 326 2HB ASP 53 2HB ASP 53 -9.151 -0.251 -5.298 327 H LEU 54 H LEU 54 -6.830 -0.851 -5.115 328 HA LEU 54 HA LEU 54 -6.045 1.292 -6.716 329 1HB LEU 54 1HB LEU 54 -4.762 -0.172 -4.420 330 2HB LEU 54 2HB LEU 54 -3.975 1.181 -5.209 331 HG LEU 54 HG LEU 54 -6.526 1.171 -3.602 332 1HD1 LEU 54 1HD1 LEU 54 -3.823 1.799 -3.045 333 2HD1 LEU 54 2HD1 LEU 54 -4.726 3.333 -3.050 334 3HD1 LEU 54 3HD1 LEU 54 -5.246 1.998 -1.994 335 1HD2 LEU 54 1HD2 LEU 54 -6.615 3.665 -4.233 336 2HD2 LEU 54 2HD2 LEU 54 -5.623 3.201 -5.636 337 3HD2 LEU 54 3HD2 LEU 54 -7.231 2.474 -5.403 338 H GLN 55 H GLN 55 -4.857 -2.094 -6.446 339 HA GLN 55 HA GLN 55 -2.606 -1.770 -7.991 340 1HB GLN 55 1HB GLN 55 -3.086 -3.783 -6.636 341 2HB GLN 55 2HB GLN 55 -4.418 -4.206 -7.693 342 1HG GLN 55 1HG GLN 55 -2.763 -5.517 -8.655 343 2HG GLN 55 2HG GLN 55 -2.534 -4.055 -9.594 344 1HE2 GLN 55 1HE2 GLN 55 -1.098 -6.338 -7.633 345 2HE2 GLN 55 2HE2 GLN 55 0.395 -5.543 -7.261 346 H ARG 56 H ARG 56 -5.981 -2.698 -8.940 347 HA ARG 56 HA ARG 56 -5.317 -2.909 -11.650 348 1HB ARG 56 1HB ARG 56 -7.878 -2.780 -10.044 349 2HB ARG 56 2HB ARG 56 -7.985 -2.579 -11.782 350 1HG ARG 56 1HG ARG 56 -8.271 -4.949 -11.243 351 2HG ARG 56 2HG ARG 56 -6.756 -4.744 -12.100 352 1HD ARG 56 1HD ARG 56 -5.448 -5.111 -10.171 353 2HD ARG 56 2HD ARG 56 -6.724 -4.610 -9.078 354 HE ARG 56 HE ARG 56 -7.799 -6.857 -10.272 355 1HH1 ARG 56 2HH2 ARG 56 -4.753 -6.218 -8.630 356 2HH1 ARG 56 1HH2 ARG 56 -4.576 -7.842 -8.053 357 1HH2 ARG 56 2HH1 ARG 56 -7.567 -9.000 -9.511 358 2HH2 ARG 56 1HH1 ARG 56 -6.187 -9.435 -8.558 359 H SER 57 H SER 57 -5.899 -0.235 -9.508 360 HA SER 57 HA SER 57 -6.855 1.499 -11.572 361 1HB SER 57 1HB SER 57 -6.196 1.809 -8.633 362 2HB SER 57 2HB SER 57 -6.417 3.235 -9.626 363 HG SER 57 HG SER 57 -8.332 1.871 -8.453 364 H ALA 58 H ALA 58 -3.810 0.643 -9.930 365 HA ALA 58 HA ALA 58 -1.715 0.983 -10.664 366 1HB ALA 58 1HB ALA 58 -1.260 1.916 -12.727 367 2HB ALA 58 2HB ALA 58 -2.990 1.553 -12.940 368 3HB ALA 58 3HB ALA 58 -2.471 3.206 -12.533 369 H MET 59 H MET 59 -3.480 2.498 -8.645 370 HA MET 59 HA MET 59 -2.344 5.094 -8.570 371 1HB MET 59 1HB MET 59 -3.759 3.547 -6.333 372 2HB MET 59 2HB MET 59 -3.631 5.289 -6.472 373 1HG MET 59 1HG MET 59 -4.785 4.376 -8.929 374 2HG MET 59 2HG MET 59 -5.613 3.513 -7.648 375 1HE MET 59 1HE MET 59 -5.102 7.631 -8.837 376 2HE MET 59 2HE MET 59 -5.313 6.122 -9.757 377 3HE MET 59 3HE MET 59 -6.729 7.120 -9.347 378 H VAL 60 H VAL 60 -1.337 1.926 -7.567 379 HA VAL 60 HA VAL 60 0.951 3.120 -6.230 380 HB VAL 60 HB VAL 60 0.771 1.641 -4.324 381 1HG1 VAL 60 1HG1 VAL 60 -1.920 2.989 -4.505 382 2HG1 VAL 60 2HG1 VAL 60 -0.813 2.861 -3.118 383 3HG1 VAL 60 3HG1 VAL 60 -0.419 3.945 -4.473 384 1HG2 VAL 60 1HG2 VAL 60 -2.037 0.847 -4.875 385 2HG2 VAL 60 2HG2 VAL 60 -0.785 0.030 -5.840 386 3HG2 VAL 60 3HG2 VAL 60 -0.727 -0.043 -4.063 387 H TYR 61 H TYR 61 2.677 1.359 -5.849 388 HA TYR 61 HA TYR 61 2.440 -0.683 -7.953 389 1HB TYR 61 1HB TYR 61 4.416 1.506 -7.319 390 2HB TYR 61 2HB TYR 61 5.152 -0.041 -7.688 391 HD1 TYR 61 1HD TYR 61 6.119 0.256 -9.801 392 HD2 TYR 61 2HD TYR 61 2.075 1.496 -9.164 393 HE1 TYR 61 1HE TYR 61 5.866 0.732 -12.286 394 HE2 TYR 61 2HE TYR 61 1.835 1.968 -11.651 395 HH TYR 61 HH TYR 61 4.579 1.946 -13.761 396 H SER 62 H SER 62 4.846 -2.005 -7.542 397 HA SER 62 HA SER 62 4.731 -2.715 -4.722 398 1HB SER 62 1HB SER 62 3.741 -4.313 -6.818 399 2HB SER 62 2HB SER 62 5.316 -5.001 -6.475 400 HG SER 62 HG SER 62 3.985 -6.037 -5.041 401 H SER 63 H SER 63 6.760 -3.306 -3.799 402 HA SER 63 HA SER 63 8.972 -2.154 -4.863 403 1HB SER 63 1HB SER 63 10.012 -2.897 -2.960 404 2HB SER 63 2HB SER 63 8.378 -3.327 -2.493 405 HG SER 63 HG SER 63 9.573 -5.184 -2.166 406 H ASP 64 H ASP 64 7.732 -5.510 -5.233 407 HA ASP 64 HA ASP 64 8.066 -6.899 -6.910 408 1HB ASP 64 1HB ASP 64 9.128 -4.685 -8.083 409 2HB ASP 64 2HB ASP 64 10.599 -5.620 -7.904 410 H ASP 65 H ASP 65 9.511 -6.570 -4.184 411 HA ASP 65 HA ASP 65 11.286 -8.777 -4.588 412 1HB ASP 65 1HB ASP 65 12.422 -6.260 -4.635 413 2HB ASP 65 2HB ASP 65 12.495 -6.616 -2.921 414 H ILE 66 H ILE 66 12.005 -9.643 -2.347 415 HA ILE 66 HA ILE 66 9.841 -9.172 -0.459 416 HB ILE 66 HB ILE 66 10.401 -11.455 -1.249 417 1HG1 ILE 66 1HG1 ILE 66 10.624 -10.841 1.707 418 2HG1 ILE 66 2HG1 ILE 66 9.170 -11.198 0.797 419 1HG2 ILE 66 1HG2 ILE 66 12.853 -11.138 -1.397 420 2HG2 ILE 66 2HG2 ILE 66 12.932 -11.122 0.381 421 3HG2 ILE 66 3HG2 ILE 66 12.386 -12.585 -0.472 422 1HD1 ILE 66 1HD1 ILE 66 11.470 -13.093 1.424 423 2HD1 ILE 66 2HD1 ILE 66 9.771 -13.230 1.938 424 3HD1 ILE 66 3HD1 ILE 66 10.207 -13.476 0.230 425 HA PRO 67 HA PRO 67 9.384 -9.281 1.360 426 1HB PRO 67 1HB PRO 67 8.436 -7.439 3.142 427 2HB PRO 67 2HB PRO 67 9.213 -8.932 3.629 428 1HG PRO 67 1HG PRO 67 10.294 -6.181 3.670 429 2HG PRO 67 2HG PRO 67 10.867 -7.598 4.526 430 1HD PRO 67 1HD PRO 67 12.027 -6.425 2.180 431 2HD PRO 67 2HD PRO 67 12.529 -7.907 2.969 432 HA PRO 68 HA PRO 68 7.312 -6.788 -1.376 433 1HB PRO 68 1HB PRO 68 4.708 -7.538 -1.024 434 2HB PRO 68 2HB PRO 68 5.851 -8.462 -1.979 435 1HG PRO 68 1HG PRO 68 4.801 -9.038 0.723 436 2HG PRO 68 2HG PRO 68 5.588 -10.125 -0.404 437 1HD PRO 68 1HD PRO 68 6.756 -8.931 1.927 438 2HD PRO 68 2HD PRO 68 7.573 -9.924 0.737 439 H ARG 69 H ARG 69 6.575 -4.733 -1.641 440 HA ARG 69 HA ARG 69 5.047 -3.710 0.563 441 1HB ARG 69 1HB ARG 69 7.834 -2.764 -0.172 442 2HB ARG 69 2HB ARG 69 6.681 -1.602 0.452 443 1HG ARG 69 1HG ARG 69 7.101 -2.315 2.560 444 2HG ARG 69 2HG ARG 69 6.497 -3.906 2.143 445 1HD ARG 69 1HD ARG 69 8.729 -4.608 1.364 446 2HD ARG 69 2HD ARG 69 9.360 -2.989 1.591 447 HE ARG 69 HE ARG 69 8.775 -4.961 3.706 448 1HH1 ARG 69 2HH2 ARG 69 9.493 -1.601 2.943 449 2HH1 ARG 69 1HH2 ARG 69 10.045 -1.223 4.541 450 1HH2 ARG 69 2HH1 ARG 69 9.502 -4.462 5.814 451 2HH2 ARG 69 1HH1 ARG 69 10.049 -2.861 6.185 452 H TRP 70 H TRP 70 3.692 -1.945 -0.077 453 HA TRP 70 HA TRP 70 3.448 -1.639 -2.931 454 1HB TRP 70 1HB TRP 70 1.835 -0.520 -0.632 455 2HB TRP 70 2HB TRP 70 1.448 -0.306 -2.328 456 HD1 TRP 70 HD TRP 70 1.452 -3.038 0.393 457 HE1 TRP 70 1HE TRP 70 -0.019 -5.107 -0.328 458 HE3 TRP 70 3HE TRP 70 0.634 -1.462 -4.371 459 HZ2 TRP 70 2HZ TRP 70 -1.330 -5.836 -2.756 460 HZ3 TRP 70 3HZ TRP 70 -0.752 -2.911 -5.852 461 HH2 TRP 70 HH TRP 70 -1.720 -5.031 -5.114 462 H PHE 71 H PHE 71 4.586 -0.108 -4.038 463 HA PHE 71 HA PHE 71 5.483 2.227 -2.504 464 1HB PHE 71 1HB PHE 71 6.530 0.574 -4.850 465 2HB PHE 71 2HB PHE 71 7.071 2.232 -4.680 466 HD1 PHE 71 1HD PHE 71 6.396 0.694 -1.532 467 HD2 PHE 71 2HD PHE 71 9.343 1.061 -4.563 468 HE1 PHE 71 1HE PHE 71 8.159 -0.048 0.093 469 HE2 PHE 71 2HE PHE 71 11.106 0.318 -2.938 470 HZ PHE 71 HZ PHE 71 10.493 -0.227 -0.629 471 H MET 72 H MET 72 6.199 3.926 -4.582 472 HA MET 72 HA MET 72 3.609 4.347 -5.862 473 1HB MET 72 1HB MET 72 4.120 6.772 -5.721 474 2HB MET 72 2HB MET 72 4.263 6.058 -4.126 475 1HG MET 72 1HG MET 72 6.830 5.716 -4.944 476 2HG MET 72 2HG MET 72 6.424 7.096 -5.945 477 1HE MET 72 1HE MET 72 6.267 9.741 -4.751 478 2HE MET 72 2HE MET 72 7.707 9.597 -3.716 479 3HE MET 72 3HE MET 72 7.648 8.752 -5.281 480 H THR 73 H THR 73 3.848 3.549 -7.935 481 HA THR 73 HA THR 73 4.968 3.003 -9.846 482 HB THR 73 HB THR 73 3.602 5.093 -10.194 483 HG1 THR 73 1HG THR 73 4.994 5.693 -12.108 484 1HG2 THR 73 1HG2 THR 73 4.542 7.252 -10.085 485 2HG2 THR 73 2HG2 THR 73 5.328 6.481 -8.687 486 3HG2 THR 73 3HG2 THR 73 6.207 6.639 -10.227 487 H THR 74 H THR 74 6.837 1.912 -9.073 488 HA THR 74 HA THR 74 9.255 3.579 -9.310 489 HB THR 74 HB THR 74 8.696 2.832 -6.939 490 HG1 THR 74 1HG THR 74 10.910 2.447 -6.744 491 1HG2 THR 74 1HG2 THR 74 7.733 0.622 -7.239 492 2HG2 THR 74 2HG2 THR 74 9.095 0.105 -8.262 493 3HG2 THR 74 3HG2 THR 74 9.341 0.369 -6.519 Start of MODEL 4 1 H ARG 13 H ARG 13 -10.942 7.016 -2.213 2 HA ARG 13 HA ARG 13 -10.883 8.787 -0.975 3 1HB ARG 13 1HB ARG 13 -13.609 8.980 -2.139 4 2HB ARG 13 2HB ARG 13 -13.449 9.843 -0.622 5 1HG ARG 13 1HG ARG 13 -11.478 10.164 -2.930 6 2HG ARG 13 2HG ARG 13 -12.883 11.191 -2.727 7 1HD ARG 13 1HD ARG 13 -11.635 11.166 -0.177 8 2HD ARG 13 2HD ARG 13 -10.312 11.282 -1.320 9 HE ARG 13 HE ARG 13 -12.540 13.098 -1.918 10 1HH1 ARG 13 2HH2 ARG 13 -9.525 12.697 -0.147 11 2HH1 ARG 13 1HH2 ARG 13 -9.226 14.398 -0.018 12 1HH2 ARG 13 2HH1 ARG 13 -12.146 15.342 -1.747 13 2HH2 ARG 13 1HH1 ARG 13 -10.728 15.913 -0.934 14 H SER 14 H SER 14 -10.355 7.455 0.894 15 HA SER 14 HA SER 14 -11.887 7.919 3.098 16 1HB SER 14 1HB SER 14 -13.168 5.958 1.634 17 2HB SER 14 2HB SER 14 -12.176 4.985 2.702 18 HG SER 14 HG SER 14 -13.295 5.655 4.450 19 H ASN 15 H ASN 15 -10.123 5.048 1.701 20 HA ASN 15 HA ASN 15 -8.279 5.318 3.941 21 1HB ASN 15 1HB ASN 15 -7.738 2.828 2.868 22 2HB ASN 15 2HB ASN 15 -8.849 3.100 4.196 23 1HD2 ASN 15 1HD2 ASN 15 -8.459 2.211 0.914 24 2HD2 ASN 15 2HD2 ASN 15 -10.112 1.889 0.513 25 H ALA 16 H ALA 16 -8.585 4.379 0.434 26 HA ALA 16 HA ALA 16 -5.996 4.149 -0.286 27 1HB ALA 16 1HB ALA 16 -8.398 5.340 -1.701 28 2HB ALA 16 2HB ALA 16 -6.828 5.151 -2.518 29 3HB ALA 16 3HB ALA 16 -7.683 3.721 -1.892 30 H GLU 17 H GLU 17 -7.832 7.165 0.370 31 HA GLU 17 HA GLU 17 -5.883 8.887 -0.607 32 1HB GLU 17 1HB GLU 17 -7.096 10.629 0.637 33 2HB GLU 17 2HB GLU 17 -8.227 9.557 -0.165 34 1HG GLU 17 1HG GLU 17 -8.459 8.260 2.002 35 2HG GLU 17 2HG GLU 17 -7.426 9.443 2.781 36 H ILE 18 H ILE 18 -6.517 7.537 2.689 37 HA ILE 18 HA ILE 18 -4.368 8.965 3.873 38 HB ILE 18 HB ILE 18 -6.214 6.759 4.706 39 1HG1 ILE 18 1HG1 ILE 18 -6.719 9.319 4.680 40 2HG1 ILE 18 2HG1 ILE 18 -7.208 8.341 6.049 41 1HG2 ILE 18 1HG2 ILE 18 -3.853 7.753 6.326 42 2HG2 ILE 18 2HG2 ILE 18 -5.141 6.665 6.897 43 3HG2 ILE 18 3HG2 ILE 18 -4.029 6.132 5.614 44 1HD1 ILE 18 1HD1 ILE 18 -5.305 9.067 7.367 45 2HD1 ILE 18 2HD1 ILE 18 -4.559 9.849 5.952 46 3HD1 ILE 18 3HD1 ILE 18 -6.048 10.521 6.658 47 H VAL 19 H VAL 19 -4.779 5.817 2.248 48 HA VAL 19 HA VAL 19 -2.335 4.721 3.123 49 HB VAL 19 HB VAL 19 -3.809 4.106 0.563 50 1HG1 VAL 19 1HG1 VAL 19 -1.489 3.082 1.292 51 2HG1 VAL 19 2HG1 VAL 19 -2.508 2.074 2.348 52 3HG1 VAL 19 3HG1 VAL 19 -2.758 2.053 0.586 53 1HG2 VAL 19 1HG2 VAL 19 -4.612 2.351 2.669 54 2HG2 VAL 19 2HG2 VAL 19 -4.860 4.026 3.220 55 3HG2 VAL 19 3HG2 VAL 19 -5.612 3.466 1.707 56 H CYS 20 H CYS 20 -3.301 6.906 0.467 57 HA CYS 20 HA CYS 20 -0.830 6.667 -0.899 58 1HB CYS 20 1HB CYS 20 -3.296 7.632 -1.575 59 2HB CYS 20 2HB CYS 20 -2.425 9.129 -1.307 60 HG CYS 20 HG CYS 20 -2.258 6.912 -3.600 61 H GLU 21 H GLU 21 -2.302 8.865 1.550 62 HA GLU 21 HA GLU 21 -0.210 10.717 1.503 63 1HB GLU 21 1HB GLU 21 -2.664 10.234 3.034 64 2HB GLU 21 2HB GLU 21 -1.379 10.825 4.069 65 1HG GLU 21 1HG GLU 21 -1.075 12.494 1.900 66 2HG GLU 21 2HG GLU 21 -2.801 12.203 1.833 67 H ALA 22 H ALA 22 -0.672 7.575 3.047 68 HA ALA 22 HA ALA 22 1.386 7.980 5.002 69 1HB ALA 22 1HB ALA 22 0.856 5.781 5.693 70 2HB ALA 22 2HB ALA 22 -0.694 6.443 5.119 71 3HB ALA 22 3HB ALA 22 0.235 5.331 4.086 72 H ILE 23 H ILE 23 1.037 5.815 2.094 73 HA ILE 23 HA ILE 23 3.590 4.892 2.003 74 HB ILE 23 HB ILE 23 1.703 4.149 0.614 75 1HG1 ILE 23 1HG1 ILE 23 4.227 4.877 -0.900 76 2HG1 ILE 23 2HG1 ILE 23 3.985 3.449 0.086 77 1HG2 ILE 23 1HG2 ILE 23 0.929 6.459 0.000 78 2HG2 ILE 23 2HG2 ILE 23 2.278 6.533 -1.158 79 3HG2 ILE 23 3HG2 ILE 23 1.007 5.303 -1.351 80 1HD1 ILE 23 1HD1 ILE 23 2.998 4.046 -2.654 81 2HD1 ILE 23 2HD1 ILE 23 3.363 2.480 -1.892 82 3HD1 ILE 23 3HD1 ILE 23 1.803 3.277 -1.582 83 H LYS 24 H LYS 24 2.317 8.047 0.832 84 HA LYS 24 HA LYS 24 4.768 8.820 -0.355 85 1HB LYS 24 1HB LYS 24 2.583 9.723 -1.035 86 2HB LYS 24 2HB LYS 24 2.383 10.469 0.538 87 1HG LYS 24 1HG LYS 24 4.392 11.867 0.174 88 2HG LYS 24 2HG LYS 24 4.711 11.063 -1.350 89 1HD LYS 24 1HD LYS 24 3.462 12.689 -2.331 90 2HD LYS 24 2HD LYS 24 2.058 11.894 -1.647 91 1HE LYS 24 1HE LYS 24 1.970 13.368 0.223 92 2HE LYS 24 2HE LYS 24 3.637 13.871 0.029 93 1HZ LYS 24 1HZ LYS 24 2.973 14.926 -2.057 94 2HZ LYS 24 2HZ LYS 24 1.415 14.528 -1.776 95 3HZ LYS 24 3HZ LYS 24 2.189 15.557 -0.771 96 H THR 25 H THR 25 3.148 9.582 2.799 97 HA THR 25 HA THR 25 5.091 11.273 3.796 98 HB THR 25 HB THR 25 2.950 9.453 4.895 99 HG1 THR 25 1HG THR 25 3.835 12.248 5.010 100 1HG2 THR 25 1HG2 THR 25 3.472 10.214 7.201 101 2HG2 THR 25 2HG2 THR 25 4.821 9.239 6.569 102 3HG2 THR 25 3HG2 THR 25 4.949 11.014 6.614 103 H ILE 26 H ILE 26 5.168 7.775 3.343 104 HA ILE 26 HA ILE 26 7.300 7.345 5.173 105 HB ILE 26 HB ILE 26 6.137 5.712 2.920 106 1HG1 ILE 26 1HG1 ILE 26 5.927 5.219 5.893 107 2HG1 ILE 26 2HG1 ILE 26 4.790 6.248 5.045 108 1HG2 ILE 26 1HG2 ILE 26 8.611 5.335 4.434 109 2HG2 ILE 26 2HG2 ILE 26 7.492 3.956 4.559 110 3HG2 ILE 26 3HG2 ILE 26 8.026 4.526 2.960 111 1HD1 ILE 26 1HD1 ILE 26 4.936 3.986 3.398 112 2HD1 ILE 26 2HD1 ILE 26 5.009 3.315 5.045 113 3HD1 ILE 26 3HD1 ILE 26 3.641 4.347 4.565 114 H GLY 27 H GLY 27 7.807 6.147 1.908 115 1HA GLY 27 1HA GLY 27 9.207 7.924 0.536 116 2HA GLY 27 2HA GLY 27 10.348 7.577 1.820 117 H ILE 28 H ILE 28 10.959 5.239 2.198 118 HA ILE 28 HA ILE 28 10.808 3.763 -0.338 119 HB ILE 28 HB ILE 28 13.001 3.187 -0.200 120 1HG1 ILE 28 1HG1 ILE 28 14.184 3.671 2.198 121 2HG1 ILE 28 2HG1 ILE 28 12.565 3.265 2.733 122 1HG2 ILE 28 1HG2 ILE 28 12.480 5.828 -0.047 123 2HG2 ILE 28 2HG2 ILE 28 13.541 5.642 1.370 124 3HG2 ILE 28 3HG2 ILE 28 14.114 5.149 -0.241 125 1HD1 ILE 28 1HD1 ILE 28 13.918 1.223 2.607 126 2HD1 ILE 28 2HD1 ILE 28 12.656 1.165 1.353 127 3HD1 ILE 28 3HD1 ILE 28 14.332 1.568 0.911 128 H GLU 29 H GLU 29 10.393 3.802 3.167 129 HA GLU 29 HA GLU 29 10.366 1.059 3.564 130 1HB GLU 29 1HB GLU 29 9.923 3.421 5.097 131 2HB GLU 29 2HB GLU 29 8.499 2.426 5.326 132 1HG GLU 29 1HG GLU 29 9.753 1.350 6.906 133 2HG GLU 29 2HG GLU 29 10.477 0.521 5.543 134 H GLY 30 H GLY 30 8.275 3.035 1.728 135 1HA GLY 30 1HA GLY 30 6.098 2.839 1.067 136 2HA GLY 30 2HA GLY 30 6.666 1.235 0.650 137 H ALA 31 H ALA 31 4.573 0.289 1.022 138 HA ALA 31 HA ALA 31 3.983 0.001 3.883 139 1HB ALA 31 1HB ALA 31 1.685 0.349 3.534 140 2HB ALA 31 2HB ALA 31 2.438 1.595 2.510 141 3HB ALA 31 3HB ALA 31 1.815 0.098 1.776 142 H THR 32 H THR 32 4.854 -2.043 4.149 143 HA THR 32 HA THR 32 4.187 -4.068 2.151 144 HB THR 32 HB THR 32 6.559 -3.692 3.022 145 HG1 THR 32 1HG THR 32 6.759 -5.945 2.910 146 1HG2 THR 32 1HG2 THR 32 7.023 -3.805 5.258 147 2HG2 THR 32 2HG2 THR 32 5.269 -3.781 5.561 148 3HG2 THR 32 3HG2 THR 32 6.124 -5.334 5.405 149 H ALA 33 H ALA 33 1.832 -3.708 2.863 150 HA ALA 33 HA ALA 33 0.036 -4.573 3.821 151 1HB ALA 33 1HB ALA 33 0.606 -6.773 3.390 152 2HB ALA 33 2HB ALA 33 2.106 -6.686 4.345 153 3HB ALA 33 3HB ALA 33 0.533 -6.819 5.168 154 H ALA 34 H ALA 34 2.458 -5.541 6.339 155 HA ALA 34 HA ALA 34 1.138 -5.001 8.553 156 1HB ALA 34 1HB ALA 34 4.011 -4.310 7.849 157 2HB ALA 34 2HB ALA 34 3.376 -4.219 9.510 158 3HB ALA 34 3HB ALA 34 3.397 -5.777 8.649 159 H GLN 35 H GLN 35 2.903 -2.444 6.666 160 HA GLN 35 HA GLN 35 2.476 -0.303 8.132 161 1HB GLN 35 1HB GLN 35 2.787 -0.842 5.294 162 2HB GLN 35 2HB GLN 35 1.712 0.524 5.510 163 1HG GLN 35 1HG GLN 35 4.544 0.218 6.597 164 2HG GLN 35 2HG GLN 35 3.984 1.381 5.411 165 1HE2 GLN 35 1HE2 GLN 35 2.459 3.004 6.061 166 2HE2 GLN 35 2HE2 GLN 35 2.438 3.601 7.687 167 H LEU 36 H LEU 36 0.076 -1.106 5.515 168 HA LEU 36 HA LEU 36 -1.900 0.570 6.415 169 1HB LEU 36 1HB LEU 36 -1.921 -1.969 4.810 170 2HB LEU 36 2HB LEU 36 -3.414 -1.140 5.201 171 HG LEU 36 HG LEU 36 -2.471 0.927 4.113 172 1HD1 LEU 36 1HD1 LEU 36 -0.206 -0.965 3.584 173 2HD1 LEU 36 2HD1 LEU 36 -0.597 0.300 2.395 174 3HD1 LEU 36 3HD1 LEU 36 -0.177 0.749 4.065 175 1HD2 LEU 36 1HD2 LEU 36 -4.082 -0.361 2.918 176 2HD2 LEU 36 2HD2 LEU 36 -2.779 0.054 1.778 177 3HD2 LEU 36 3HD2 LEU 36 -2.868 -1.583 2.470 178 H THR 37 H THR 37 -1.241 -2.870 7.300 179 HA THR 37 HA THR 37 -3.476 -3.277 8.885 180 HB THR 37 HB THR 37 -0.631 -4.356 9.246 181 HG1 THR 37 1HG THR 37 -1.185 -5.571 7.441 182 1HG2 THR 37 1HG2 THR 37 -3.055 -6.083 9.503 183 2HG2 THR 37 2HG2 THR 37 -1.563 -6.081 10.473 184 3HG2 THR 37 3HG2 THR 37 -2.846 -4.894 10.812 185 H ARG 38 H ARG 38 -0.801 -1.121 9.378 186 HA ARG 38 HA ARG 38 -1.323 -1.068 12.214 187 1HB ARG 38 1HB ARG 38 0.908 -0.289 10.434 188 2HB ARG 38 2HB ARG 38 0.562 0.940 11.635 189 1HG ARG 38 1HG ARG 38 1.009 -0.512 13.453 190 2HG ARG 38 2HG ARG 38 0.740 -1.957 12.500 191 1HD ARG 38 1HD ARG 38 2.830 -1.527 11.216 192 2HD ARG 38 2HD ARG 38 3.089 -0.039 12.103 193 HE ARG 38 HE ARG 38 3.661 -2.726 13.042 194 1HH1 ARG 38 2HH2 ARG 38 2.705 0.483 14.124 195 2HH1 ARG 38 1HH2 ARG 38 3.341 0.274 15.722 196 1HH2 ARG 38 2HH1 ARG 38 4.500 -3.003 15.150 197 2HH2 ARG 38 1HH1 ARG 38 4.369 -1.723 16.309 198 H GLN 39 H GLN 39 -1.734 0.812 9.206 199 HA GLN 39 HA GLN 39 -2.348 3.244 10.394 200 1HB GLN 39 1HB GLN 39 -2.620 1.992 7.710 201 2HB GLN 39 2HB GLN 39 -3.770 3.276 8.028 202 1HG GLN 39 1HG GLN 39 -2.167 4.868 7.801 203 2HG GLN 39 2HG GLN 39 -1.138 4.081 8.982 204 1HE2 GLN 39 1HE2 GLN 39 -0.052 2.035 8.192 205 2HE2 GLN 39 2HE2 GLN 39 0.657 2.067 6.612 206 H LEU 40 H LEU 40 -4.199 0.268 9.903 207 HA LEU 40 HA LEU 40 -6.602 1.666 10.848 208 1HB LEU 40 1HB LEU 40 -7.526 -0.708 9.978 209 2HB LEU 40 2HB LEU 40 -7.466 0.756 9.017 210 HG LEU 40 HG LEU 40 -5.133 -1.142 8.997 211 1HD1 LEU 40 1HD1 LEU 40 -7.127 -1.530 6.856 212 2HD1 LEU 40 2HD1 LEU 40 -6.110 -2.710 7.718 213 3HD1 LEU 40 3HD1 LEU 40 -7.614 -2.117 8.464 214 1HD2 LEU 40 1HD2 LEU 40 -4.748 0.971 7.936 215 2HD2 LEU 40 2HD2 LEU 40 -4.925 -0.265 6.667 216 3HD2 LEU 40 3HD2 LEU 40 -6.268 0.849 7.018 217 H ASN 41 H ASN 41 -5.549 -1.794 10.932 218 HA ASN 41 HA ASN 41 -4.870 -1.804 13.600 219 1HB ASN 41 1HB ASN 41 -7.725 -1.723 13.176 220 2HB ASN 41 2HB ASN 41 -7.333 -3.340 13.724 221 1HD2 ASN 41 1HD2 ASN 41 -5.722 -0.259 14.425 222 2HD2 ASN 41 2HD2 ASN 41 -5.966 -0.261 16.140 223 H MET 42 H MET 42 -6.590 -3.501 10.910 224 HA MET 42 HA MET 42 -4.739 -5.299 10.309 225 1HB MET 42 1HB MET 42 -5.925 -5.946 12.913 226 2HB MET 42 2HB MET 42 -6.277 -7.231 11.773 227 1HG MET 42 1HG MET 42 -3.869 -7.457 11.227 228 2HG MET 42 2HG MET 42 -3.479 -6.099 12.264 229 1HE MET 42 1HE MET 42 -1.699 -8.122 13.640 230 2HE MET 42 2HE MET 42 -2.320 -6.504 14.047 231 3HE MET 42 3HE MET 42 -2.423 -7.823 15.238 232 H GLU 43 H GLU 43 -6.857 -3.870 9.093 233 HA GLU 43 HA GLU 43 -8.832 -5.897 8.489 234 1HB GLU 43 1HB GLU 43 -9.171 -3.260 8.960 235 2HB GLU 43 2HB GLU 43 -8.907 -3.169 7.230 236 1HG GLU 43 1HG GLU 43 -11.046 -3.824 6.877 237 2HG GLU 43 2HG GLU 43 -10.693 -5.363 7.638 238 H LYS 44 H LYS 44 -6.572 -6.895 7.538 239 HA LYS 44 HA LYS 44 -5.496 -5.986 5.200 240 1HB LYS 44 1HB LYS 44 -4.804 -7.952 6.674 241 2HB LYS 44 2HB LYS 44 -5.992 -8.907 5.810 242 1HG LYS 44 1HG LYS 44 -4.867 -8.589 3.697 243 2HG LYS 44 2HG LYS 44 -3.867 -7.299 4.335 244 1HD LYS 44 1HD LYS 44 -3.648 -9.911 5.776 245 2HD LYS 44 2HD LYS 44 -3.053 -9.916 4.127 246 1HE LYS 44 1HE LYS 44 -1.507 -8.088 4.590 247 2HE LYS 44 2HE LYS 44 -2.231 -7.792 6.158 248 1HZ LYS 44 1HZ LYS 44 -0.313 -9.062 6.503 249 2HZ LYS 44 2HZ LYS 44 -1.553 -10.101 6.725 250 3HZ LYS 44 3HZ LYS 44 -0.687 -10.147 5.341 251 H ARG 45 H ARG 45 -8.735 -7.084 5.806 252 HA ARG 45 HA ARG 45 -9.283 -8.060 3.255 253 1HB ARG 45 1HB ARG 45 -10.832 -7.234 5.672 254 2HB ARG 45 2HB ARG 45 -11.725 -7.128 4.168 255 1HG ARG 45 1HG ARG 45 -10.245 -9.620 4.181 256 2HG ARG 45 2HG ARG 45 -11.110 -9.481 5.699 257 1HD ARG 45 1HD ARG 45 -12.660 -10.533 4.211 258 2HD ARG 45 2HD ARG 45 -13.200 -8.869 4.307 259 HE ARG 45 HE ARG 45 -12.668 -8.594 2.047 260 1HH1 ARG 45 2HH2 ARG 45 -10.986 -11.428 3.280 261 2HH1 ARG 45 1HH2 ARG 45 -10.394 -11.911 1.725 262 1HH2 ARG 45 2HH1 ARG 45 -11.889 -9.231 -0.004 263 2HH2 ARG 45 1HH1 ARG 45 -10.911 -10.653 -0.155 264 H GLU 46 H GLU 46 -9.730 -4.830 4.842 265 HA GLU 46 HA GLU 46 -10.870 -3.690 2.530 266 1HB GLU 46 1HB GLU 46 -10.986 -1.690 3.786 267 2HB GLU 46 2HB GLU 46 -11.122 -2.948 4.999 268 1HG GLU 46 1HG GLU 46 -9.470 -1.685 6.013 269 2HG GLU 46 2HG GLU 46 -8.439 -2.712 5.038 270 H VAL 47 H VAL 47 -7.579 -3.967 3.906 271 HA VAL 47 HA VAL 47 -6.442 -2.093 2.080 272 HB VAL 47 HB VAL 47 -4.491 -2.458 3.202 273 1HG1 VAL 47 1HG1 VAL 47 -4.981 -2.336 5.446 274 2HG1 VAL 47 2HG1 VAL 47 -6.603 -2.084 4.757 275 3HG1 VAL 47 3HG1 VAL 47 -6.141 -3.685 5.383 276 1HG2 VAL 47 1HG2 VAL 47 -4.143 -4.729 4.486 277 2HG2 VAL 47 2HG2 VAL 47 -5.367 -5.328 3.341 278 3HG2 VAL 47 3HG2 VAL 47 -3.847 -4.628 2.734 279 H ASN 48 H ASN 48 -7.308 -5.506 2.057 280 HA ASN 48 HA ASN 48 -5.499 -6.258 0.055 281 1HB ASN 48 1HB ASN 48 -7.953 -7.411 1.355 282 2HB ASN 48 2HB ASN 48 -7.556 -8.056 -0.225 283 1HD2 ASN 48 1HD2 ASN 48 -7.511 -9.630 2.002 284 2HD2 ASN 48 2HD2 ASN 48 -5.894 -10.108 2.394 285 H LYS 49 H LYS 49 -9.091 -5.601 0.078 286 HA LYS 49 HA LYS 49 -9.385 -5.738 -2.702 287 1HB LYS 49 1HB LYS 49 -11.588 -4.796 -2.302 288 2HB LYS 49 2HB LYS 49 -11.229 -6.034 -1.116 289 1HG LYS 49 1HG LYS 49 -10.526 -4.236 0.508 290 2HG LYS 49 2HG LYS 49 -10.966 -3.021 -0.676 291 1HD LYS 49 1HD LYS 49 -13.309 -4.264 -0.693 292 2HD LYS 49 2HD LYS 49 -12.776 -4.923 0.840 293 1HE LYS 49 1HE LYS 49 -12.925 -2.889 1.931 294 2HE LYS 49 2HE LYS 49 -12.388 -1.976 0.535 295 1HZ LYS 49 1HZ LYS 49 -15.030 -3.243 0.663 296 2HZ LYS 49 2HZ LYS 49 -14.760 -1.708 1.152 297 3HZ LYS 49 3HZ LYS 49 -14.515 -2.123 -0.408 298 H ALA 50 H ALA 50 -8.370 -3.157 -0.475 299 HA ALA 50 HA ALA 50 -8.702 -1.063 -2.366 300 1HB ALA 50 1HB ALA 50 -7.329 -1.415 0.304 301 2HB ALA 50 2HB ALA 50 -7.089 0.069 -0.648 302 3HB ALA 50 3HB ALA 50 -8.723 -0.393 -0.117 303 H LEU 51 H LEU 51 -6.002 -3.217 -1.330 304 HA LEU 51 HA LEU 51 -4.038 -1.912 -2.858 305 1HB LEU 51 1HB LEU 51 -4.321 -4.485 -1.404 306 2HB LEU 51 2HB LEU 51 -3.066 -4.398 -2.624 307 HG LEU 51 HG LEU 51 -1.791 -2.923 -1.434 308 1HD1 LEU 51 1HD1 LEU 51 -2.966 -1.526 0.498 309 2HD1 LEU 51 2HD1 LEU 51 -2.961 -0.984 -1.198 310 3HD1 LEU 51 3HD1 LEU 51 -4.397 -1.794 -0.526 311 1HD2 LEU 51 1HD2 LEU 51 -1.405 -3.980 0.503 312 2HD2 LEU 51 2HD2 LEU 51 -3.053 -3.692 1.109 313 3HD2 LEU 51 3HD2 LEU 51 -2.736 -5.049 0.001 314 H TYR 52 H TYR 52 -6.154 -4.781 -3.497 315 HA TYR 52 HA TYR 52 -5.135 -5.428 -5.980 316 1HB TYR 52 1HB TYR 52 -7.885 -5.495 -4.619 317 2HB TYR 52 2HB TYR 52 -7.681 -6.181 -6.219 318 HD1 TYR 52 1HD TYR 52 -8.012 -7.123 -2.981 319 HD2 TYR 52 2HD TYR 52 -5.278 -7.681 -6.224 320 HE1 TYR 52 1HE TYR 52 -7.224 -9.309 -1.950 321 HE2 TYR 52 2HE TYR 52 -4.499 -9.865 -5.182 322 HH TYR 52 HH TYR 52 -5.758 -11.608 -3.506 323 H ASP 53 H ASP 53 -8.202 -3.563 -5.375 324 HA ASP 53 HA ASP 53 -8.737 -2.838 -7.870 325 1HB ASP 53 1HB ASP 53 -9.686 -2.127 -5.417 326 2HB ASP 53 2HB ASP 53 -8.888 -0.626 -5.840 327 H LEU 54 H LEU 54 -6.643 -0.983 -5.527 328 HA LEU 54 HA LEU 54 -5.890 1.027 -7.279 329 1HB LEU 54 1HB LEU 54 -4.675 -0.154 -4.800 330 2HB LEU 54 2HB LEU 54 -3.850 1.112 -5.688 331 HG LEU 54 HG LEU 54 -6.476 1.249 -4.217 332 1HD1 LEU 54 1HD1 LEU 54 -4.357 1.674 -2.998 333 2HD1 LEU 54 2HD1 LEU 54 -4.022 3.023 -4.110 334 3HD1 LEU 54 3HD1 LEU 54 -5.444 3.083 -3.041 335 1HD2 LEU 54 1HD2 LEU 54 -6.504 3.678 -5.160 336 2HD2 LEU 54 2HD2 LEU 54 -5.543 2.981 -6.485 337 3HD2 LEU 54 3HD2 LEU 54 -7.166 2.341 -6.131 338 H GLN 55 H GLN 55 -4.700 -2.308 -6.842 339 HA GLN 55 HA GLN 55 -2.315 -2.036 -8.178 340 1HB GLN 55 1HB GLN 55 -3.669 -4.089 -6.946 341 2HB GLN 55 2HB GLN 55 -3.802 -4.580 -8.623 342 1HG GLN 55 1HG GLN 55 -1.114 -3.713 -8.327 343 2HG GLN 55 2HG GLN 55 -1.458 -4.620 -6.868 344 1HE2 GLN 55 1HE2 GLN 55 -1.096 -4.696 -10.307 345 2HE2 GLN 55 2HE2 GLN 55 -1.131 -6.412 -10.538 346 H ARG 56 H ARG 56 -5.613 -2.872 -9.430 347 HA ARG 56 HA ARG 56 -4.677 -3.054 -12.078 348 1HB ARG 56 1HB ARG 56 -7.452 -2.882 -10.825 349 2HB ARG 56 2HB ARG 56 -7.241 -2.957 -12.563 350 1HG ARG 56 1HG ARG 56 -7.553 -5.228 -11.872 351 2HG ARG 56 2HG ARG 56 -5.836 -5.078 -12.194 352 1HD ARG 56 1HD ARG 56 -5.250 -5.205 -9.934 353 2HD ARG 56 2HD ARG 56 -6.749 -4.479 -9.388 354 HE ARG 56 HE ARG 56 -6.262 -7.316 -9.842 355 1HH1 ARG 56 2HH2 ARG 56 -8.758 -4.836 -9.805 356 2HH1 ARG 56 1HH2 ARG 56 -10.043 -5.953 -9.488 357 1HH2 ARG 56 2HH1 ARG 56 -7.957 -8.791 -9.424 358 2HH2 ARG 56 1HH1 ARG 56 -9.584 -8.218 -9.270 359 H SER 57 H SER 57 -5.527 -0.452 -9.943 360 HA SER 57 HA SER 57 -6.433 1.307 -11.981 361 1HB SER 57 1HB SER 57 -5.581 1.788 -9.093 362 2HB SER 57 2HB SER 57 -6.248 3.034 -10.130 363 HG SER 57 HG SER 57 -7.758 1.765 -8.639 364 H ALA 58 H ALA 58 -3.362 0.385 -10.473 365 HA ALA 58 HA ALA 58 -1.276 0.799 -11.149 366 1HB ALA 58 1HB ALA 58 -2.168 2.937 -13.082 367 2HB ALA 58 2HB ALA 58 -0.815 1.788 -13.213 368 3HB ALA 58 3HB ALA 58 -2.487 1.224 -13.445 369 H MET 59 H MET 59 -3.296 2.557 -9.386 370 HA MET 59 HA MET 59 -2.042 5.070 -9.309 371 1HB MET 59 1HB MET 59 -4.360 4.722 -8.517 372 2HB MET 59 2HB MET 59 -3.827 3.540 -7.339 373 1HG MET 59 1HG MET 59 -4.265 5.778 -6.300 374 2HG MET 59 2HG MET 59 -2.607 5.259 -6.072 375 1HE MET 59 1HE MET 59 -0.456 7.078 -7.022 376 2HE MET 59 2HE MET 59 -1.300 8.556 -6.499 377 3HE MET 59 3HE MET 59 -1.526 7.036 -5.600 378 H VAL 60 H VAL 60 -1.404 1.927 -7.820 379 HA VAL 60 HA VAL 60 0.784 3.186 -6.315 380 HB VAL 60 HB VAL 60 0.461 1.652 -4.540 381 1HG1 VAL 60 1HG1 VAL 60 -1.233 3.663 -4.995 382 2HG1 VAL 60 2HG1 VAL 60 -2.406 2.326 -5.041 383 3HG1 VAL 60 3HG1 VAL 60 -1.404 2.580 -3.593 384 1HG2 VAL 60 1HG2 VAL 60 -1.642 0.321 -6.277 385 2HG2 VAL 60 2HG2 VAL 60 -0.084 -0.364 -5.755 386 3HG2 VAL 60 3HG2 VAL 60 -1.364 -0.051 -4.559 387 H TYR 61 H TYR 61 2.566 1.482 -5.822 388 HA TYR 61 HA TYR 61 2.799 -0.329 -8.127 389 1HB TYR 61 1HB TYR 61 4.474 1.915 -7.019 390 2HB TYR 61 2HB TYR 61 5.386 0.466 -7.388 391 HD1 TYR 61 1HD TYR 61 6.618 0.968 -9.310 392 HD2 TYR 61 2HD TYR 61 2.458 1.961 -9.186 393 HE1 TYR 61 1HE TYR 61 6.700 1.649 -11.758 394 HE2 TYR 61 2HE TYR 61 2.554 2.639 -11.634 395 HH TYR 61 HH TYR 61 4.952 1.752 -13.656 396 H SER 62 H SER 62 5.198 -1.551 -7.506 397 HA SER 62 HA SER 62 4.852 -2.476 -4.778 398 1HB SER 62 1HB SER 62 3.705 -3.977 -6.601 399 2HB SER 62 2HB SER 62 5.337 -4.453 -7.027 400 HG SER 62 HG SER 62 5.618 -5.461 -5.079 401 H SER 63 H SER 63 6.831 -3.985 -4.184 402 HA SER 63 HA SER 63 9.142 -2.503 -4.930 403 1HB SER 63 1HB SER 63 9.326 -3.065 -2.703 404 2HB SER 63 2HB SER 63 8.414 -4.550 -2.886 405 HG SER 63 HG SER 63 10.834 -4.684 -2.434 406 H ASP 64 H ASP 64 7.533 -5.471 -5.888 407 HA ASP 64 HA ASP 64 7.932 -6.819 -7.557 408 1HB ASP 64 1HB ASP 64 9.442 -4.672 -8.343 409 2HB ASP 64 2HB ASP 64 10.709 -5.869 -8.162 410 H ASP 65 H ASP 65 9.037 -6.969 -4.677 411 HA ASP 65 HA ASP 65 10.590 -9.331 -5.130 412 1HB ASP 65 1HB ASP 65 11.863 -6.850 -4.473 413 2HB ASP 65 2HB ASP 65 11.886 -7.813 -3.009 414 H ILE 66 H ILE 66 11.042 -10.380 -2.813 415 HA ILE 66 HA ILE 66 8.626 -9.941 -1.234 416 HB ILE 66 HB ILE 66 8.870 -12.166 -2.002 417 1HG1 ILE 66 1HG1 ILE 66 9.520 -13.275 0.378 418 2HG1 ILE 66 2HG1 ILE 66 9.274 -11.618 0.890 419 1HG2 ILE 66 1HG2 ILE 66 11.699 -11.698 -1.545 420 2HG2 ILE 66 2HG2 ILE 66 11.163 -13.243 -0.842 421 3HG2 ILE 66 3HG2 ILE 66 10.888 -12.907 -2.569 422 1HD1 ILE 66 1HD1 ILE 66 7.047 -12.023 0.882 423 2HD1 ILE 66 2HD1 ILE 66 7.134 -12.147 -0.891 424 3HD1 ILE 66 3HD1 ILE 66 7.293 -13.609 0.112 425 HA PRO 67 HA PRO 67 7.924 -10.235 0.505 426 1HB PRO 67 1HB PRO 67 6.849 -8.535 2.355 427 2HB PRO 67 2HB PRO 67 7.476 -10.121 2.761 428 1HG PRO 67 1HG PRO 67 8.685 -7.468 3.251 429 2HG PRO 67 2HG PRO 67 9.066 -9.004 4.003 430 1HD PRO 67 1HD PRO 67 10.583 -7.666 1.969 431 2HD PRO 67 2HD PRO 67 10.900 -9.254 2.639 432 HA PRO 68 HA PRO 68 6.166 -7.309 -2.019 433 1HB PRO 68 1HB PRO 68 3.474 -7.475 -1.579 434 2HB PRO 68 2HB PRO 68 4.356 -8.621 -2.569 435 1HG PRO 68 1HG PRO 68 3.296 -8.966 0.169 436 2HG PRO 68 2HG PRO 68 3.789 -10.194 -0.980 437 1HD PRO 68 1HD PRO 68 5.266 -9.293 1.307 438 2HD PRO 68 2HD PRO 68 5.808 -10.435 0.094 439 H ARG 69 H ARG 69 6.557 -5.197 -1.950 440 HA ARG 69 HA ARG 69 5.294 -3.878 0.319 441 1HB ARG 69 1HB ARG 69 7.787 -2.925 -1.170 442 2HB ARG 69 2HB ARG 69 7.151 -2.279 0.330 443 1HG ARG 69 1HG ARG 69 7.894 -4.100 1.604 444 2HG ARG 69 2HG ARG 69 7.822 -5.216 0.254 445 1HD ARG 69 1HD ARG 69 9.838 -4.236 -0.750 446 2HD ARG 69 2HD ARG 69 9.857 -2.944 0.434 447 HE ARG 69 HE ARG 69 9.897 -5.413 1.857 448 1HH1 ARG 69 2HH2 ARG 69 11.959 -3.554 -0.305 449 2HH1 ARG 69 1HH2 ARG 69 13.433 -4.192 0.345 450 1HH2 ARG 69 2HH1 ARG 69 11.841 -6.255 2.715 451 2HH2 ARG 69 1HH1 ARG 69 13.365 -5.739 2.074 452 H TRP 70 H TRP 70 3.774 -2.323 -0.205 453 HA TRP 70 HA TRP 70 3.368 -1.731 -2.995 454 1HB TRP 70 1HB TRP 70 1.856 -0.795 -0.550 455 2HB TRP 70 2HB TRP 70 1.357 -0.594 -2.218 456 HD1 TRP 70 HD TRP 70 1.747 -3.382 0.437 457 HE1 TRP 70 1HE TRP 70 0.301 -5.498 -0.192 458 HE3 TRP 70 3HE TRP 70 0.350 -1.712 -4.158 459 HZ2 TRP 70 2HZ TRP 70 -1.229 -6.220 -2.490 460 HZ3 TRP 70 3HZ TRP 70 -1.121 -3.184 -5.531 461 HH2 TRP 70 HH TRP 70 -1.907 -5.368 -4.765 462 H PHE 71 H PHE 71 4.402 -0.060 -3.996 463 HA PHE 71 HA PHE 71 5.297 2.147 -2.279 464 1HB PHE 71 1HB PHE 71 6.380 0.665 -4.709 465 2HB PHE 71 2HB PHE 71 6.828 2.348 -4.518 466 HD1 PHE 71 1HD PHE 71 6.314 0.672 -1.400 467 HD2 PHE 71 2HD PHE 71 9.171 1.353 -4.463 468 HE1 PHE 71 1HE PHE 71 8.155 0.003 0.169 469 HE2 PHE 71 2HE PHE 71 11.012 0.685 -2.893 470 HZ PHE 71 HZ PHE 71 10.483 0.018 -0.596 471 H MET 72 H MET 72 5.938 4.034 -4.206 472 HA MET 72 HA MET 72 3.353 4.437 -5.504 473 1HB MET 72 1HB MET 72 4.172 6.975 -5.214 474 2HB MET 72 2HB MET 72 3.399 6.147 -3.878 475 1HG MET 72 1HG MET 72 5.505 5.689 -2.798 476 2HG MET 72 2HG MET 72 6.422 6.071 -4.241 477 1HE MET 72 1HE MET 72 7.718 8.724 -4.118 478 2HE MET 72 2HE MET 72 7.728 8.900 -2.346 479 3HE MET 72 3HE MET 72 7.910 7.289 -3.081 480 H THR 73 H THR 73 3.772 3.861 -7.629 481 HA THR 73 HA THR 73 4.834 3.744 -9.601 482 HB THR 73 HB THR 73 3.715 5.951 -9.698 483 HG1 THR 73 1HG THR 73 4.905 5.982 -11.563 484 1HG2 THR 73 1HG2 THR 73 4.757 7.133 -7.802 485 2HG2 THR 73 2HG2 THR 73 6.368 6.953 -8.538 486 3HG2 THR 73 3HG2 THR 73 5.153 8.006 -9.302 487 H THR 74 H THR 74 6.490 2.561 -7.914 488 HA THR 74 HA THR 74 9.082 3.888 -8.101 489 HB THR 74 HB THR 74 8.196 2.797 -5.963 490 HG1 THR 74 1HG THR 74 10.510 1.595 -7.315 491 1HG2 THR 74 1HG2 THR 74 7.178 0.738 -6.558 492 2HG2 THR 74 2HG2 THR 74 8.413 0.378 -7.787 493 3HG2 THR 74 3HG2 THR 74 8.803 0.212 -6.058 Start of MODEL 5 1 H ARG 13 H ARG 13 -11.302 7.468 -2.680 2 HA ARG 13 HA ARG 13 -11.269 9.289 -1.505 3 1HB ARG 13 1HB ARG 13 -13.829 9.524 -2.846 4 2HB ARG 13 2HB ARG 13 -14.019 10.117 -1.208 5 1HG ARG 13 1HG ARG 13 -11.858 11.023 -3.170 6 2HG ARG 13 2HG ARG 13 -13.307 11.926 -2.775 7 1HD ARG 13 1HD ARG 13 -12.156 11.315 -0.261 8 2HD ARG 13 2HD ARG 13 -10.788 11.720 -1.279 9 HE ARG 13 HE ARG 13 -12.764 13.564 -0.284 10 1HH1 ARG 13 2HH2 ARG 13 -10.810 12.908 -3.136 11 2HH1 ARG 13 1HH2 ARG 13 -10.789 14.559 -3.659 12 1HH2 ARG 13 2HH1 ARG 13 -12.737 15.743 -0.974 13 2HH2 ARG 13 1HH1 ARG 13 -11.893 16.182 -2.421 14 H SER 14 H SER 14 -10.728 7.894 0.336 15 HA SER 14 HA SER 14 -12.264 8.362 2.556 16 1HB SER 14 1HB SER 14 -13.950 6.834 1.871 17 2HB SER 14 2HB SER 14 -12.789 5.689 1.229 18 HG SER 14 HG SER 14 -13.894 5.695 3.674 19 H ASN 15 H ASN 15 -10.555 5.394 1.302 20 HA ASN 15 HA ASN 15 -8.628 5.820 3.444 21 1HB ASN 15 1HB ASN 15 -8.159 3.244 2.549 22 2HB ASN 15 2HB ASN 15 -9.214 3.637 3.892 23 1HD2 ASN 15 1HD2 ASN 15 -8.958 2.201 0.881 24 2HD2 ASN 15 2HD2 ASN 15 -10.632 1.978 0.497 25 H ALA 16 H ALA 16 -9.073 4.657 0.023 26 HA ALA 16 HA ALA 16 -6.534 4.284 -0.779 27 1HB ALA 16 1HB ALA 16 -7.715 5.685 -2.900 28 2HB ALA 16 2HB ALA 16 -7.813 3.933 -2.600 29 3HB ALA 16 3HB ALA 16 -9.091 5.013 -1.993 30 H GLU 17 H GLU 17 -8.172 7.402 -0.127 31 HA GLU 17 HA GLU 17 -6.200 8.993 -1.281 32 1HB GLU 17 1HB GLU 17 -7.253 10.833 -0.021 33 2HB GLU 17 2HB GLU 17 -8.472 9.807 -0.750 34 1HG GLU 17 1HG GLU 17 -8.590 8.546 1.490 35 2HG GLU 17 2HG GLU 17 -7.580 9.808 2.167 36 H ILE 18 H ILE 18 -6.734 7.820 2.103 37 HA ILE 18 HA ILE 18 -4.419 9.152 3.086 38 HB ILE 18 HB ILE 18 -6.348 7.123 4.171 39 1HG1 ILE 18 1HG1 ILE 18 -7.163 9.390 4.072 40 2HG1 ILE 18 2HG1 ILE 18 -6.870 8.953 5.743 41 1HG2 ILE 18 1HG2 ILE 18 -5.152 7.352 6.360 42 2HG2 ILE 18 2HG2 ILE 18 -4.270 6.426 5.122 43 3HG2 ILE 18 3HG2 ILE 18 -3.800 8.105 5.479 44 1HD1 ILE 18 1HD1 ILE 18 -4.444 10.004 5.213 45 2HD1 ILE 18 2HD1 ILE 18 -5.389 10.895 3.995 46 3HD1 ILE 18 3HD1 ILE 18 -5.818 11.017 5.719 47 H VAL 19 H VAL 19 -5.119 6.079 1.499 48 HA VAL 19 HA VAL 19 -2.834 4.700 2.395 49 HB VAL 19 HB VAL 19 -4.471 4.384 -0.129 50 1HG1 VAL 19 1HG1 VAL 19 -3.673 2.021 -0.034 51 2HG1 VAL 19 2HG1 VAL 19 -2.375 3.199 -0.337 52 3HG1 VAL 19 3HG1 VAL 19 -2.568 2.485 1.281 53 1HG2 VAL 19 1HG2 VAL 19 -6.109 3.458 1.080 54 2HG2 VAL 19 2HG2 VAL 19 -4.960 2.456 2.000 55 3HG2 VAL 19 3HG2 VAL 19 -5.305 4.122 2.523 56 H CYS 20 H CYS 20 -3.535 6.780 -0.475 57 HA CYS 20 HA CYS 20 -0.949 6.405 -1.561 58 1HB CYS 20 1HB CYS 20 -1.590 7.958 -3.232 59 2HB CYS 20 2HB CYS 20 -3.032 7.037 -2.854 60 HG CYS 20 HG CYS 20 -4.037 9.292 -3.041 61 H GLU 21 H GLU 21 -2.545 8.660 0.706 62 HA GLU 21 HA GLU 21 -0.553 10.615 0.633 63 1HB GLU 21 1HB GLU 21 -3.039 10.152 1.991 64 2HB GLU 21 2HB GLU 21 -1.845 10.528 3.218 65 1HG GLU 21 1HG GLU 21 -1.734 12.255 0.783 66 2HG GLU 21 2HG GLU 21 -3.195 12.418 1.737 67 H ALA 22 H ALA 22 -0.904 7.516 2.325 68 HA ALA 22 HA ALA 22 1.172 8.083 4.220 69 1HB ALA 22 1HB ALA 22 -0.834 6.532 4.537 70 2HB ALA 22 2HB ALA 22 -0.005 5.390 3.453 71 3HB ALA 22 3HB ALA 22 0.749 5.860 4.995 72 H ILE 23 H ILE 23 0.832 5.740 1.453 73 HA ILE 23 HA ILE 23 3.417 4.891 1.376 74 HB ILE 23 HB ILE 23 1.565 3.957 0.091 75 1HG1 ILE 23 1HG1 ILE 23 3.997 4.766 -1.526 76 2HG1 ILE 23 2HG1 ILE 23 3.829 3.342 -0.519 77 1HG2 ILE 23 1HG2 ILE 23 0.511 4.967 -1.681 78 2HG2 ILE 23 2HG2 ILE 23 0.815 6.370 -0.628 79 3HG2 ILE 23 3HG2 ILE 23 1.877 6.057 -2.022 80 1HD1 ILE 23 1HD1 ILE 23 2.818 3.844 -3.257 81 2HD1 ILE 23 2HD1 ILE 23 3.176 2.302 -2.443 82 3HD1 ILE 23 3HD1 ILE 23 1.614 3.110 -2.170 83 H LYS 24 H LYS 24 2.012 7.927 0.070 84 HA LYS 24 HA LYS 24 4.388 8.697 -1.263 85 1HB LYS 24 1HB LYS 24 2.049 9.468 -1.789 86 2HB LYS 24 2HB LYS 24 2.093 10.445 -0.335 87 1HG LYS 24 1HG LYS 24 4.521 11.053 -1.646 88 2HG LYS 24 2HG LYS 24 3.351 10.938 -2.946 89 1HD LYS 24 1HD LYS 24 2.151 12.384 -0.731 90 2HD LYS 24 2HD LYS 24 3.713 13.094 -1.090 91 1HE LYS 24 1HE LYS 24 2.153 12.454 -3.526 92 2HE LYS 24 2HE LYS 24 1.339 13.597 -2.477 93 1HZ LYS 24 1HZ LYS 24 3.358 14.917 -2.468 94 2HZ LYS 24 2HZ LYS 24 4.091 13.861 -3.475 95 3HZ LYS 24 3HZ LYS 24 2.797 14.715 -3.988 96 H THR 25 H THR 25 2.894 9.531 1.929 97 HA THR 25 HA THR 25 4.846 11.339 2.736 98 HB THR 25 HB THR 25 2.913 9.466 4.173 99 HG1 THR 25 1HG THR 25 2.032 11.298 3.046 100 1HG2 THR 25 1HG2 THR 25 3.909 11.811 5.670 101 2HG2 THR 25 2HG2 THR 25 3.660 10.142 6.235 102 3HG2 THR 25 3HG2 THR 25 5.175 10.586 5.412 103 H ILE 26 H ILE 26 4.931 7.820 2.501 104 HA ILE 26 HA ILE 26 7.128 7.524 4.283 105 HB ILE 26 HB ILE 26 5.964 5.710 2.168 106 1HG1 ILE 26 1HG1 ILE 26 5.646 5.334 5.127 107 2HG1 ILE 26 2HG1 ILE 26 4.637 6.508 4.307 108 1HG2 ILE 26 1HG2 ILE 26 8.154 4.927 2.460 109 2HG2 ILE 26 2HG2 ILE 26 8.140 5.263 4.208 110 3HG2 ILE 26 3HG2 ILE 26 7.166 3.926 3.551 111 1HD1 ILE 26 1HD1 ILE 26 4.712 4.099 2.706 112 2HD1 ILE 26 2HD1 ILE 26 4.309 3.669 4.386 113 3HD1 ILE 26 3HD1 ILE 26 3.315 4.856 3.508 114 H GLY 27 H GLY 27 7.495 6.120 1.074 115 1HA GLY 27 1HA GLY 27 8.778 7.616 -0.568 116 2HA GLY 27 2HA GLY 27 9.944 7.722 0.736 117 H ILE 28 H ILE 28 10.617 5.480 1.726 118 HA ILE 28 HA ILE 28 10.913 3.602 -0.515 119 HB ILE 28 HB ILE 28 13.096 3.264 -0.012 120 1HG1 ILE 28 1HG1 ILE 28 13.916 4.152 2.406 121 2HG1 ILE 28 2HG1 ILE 28 12.259 3.743 2.800 122 1HG2 ILE 28 1HG2 ILE 28 12.461 5.792 -0.434 123 2HG2 ILE 28 2HG2 ILE 28 13.111 5.992 1.211 124 3HG2 ILE 28 3HG2 ILE 28 14.133 5.302 -0.072 125 1HD1 ILE 28 1HD1 ILE 28 14.511 1.956 1.959 126 2HD1 ILE 28 2HD1 ILE 28 13.195 1.657 3.120 127 3HD1 ILE 28 3HD1 ILE 28 12.887 1.525 1.372 128 H GLU 29 H GLU 29 10.078 4.152 2.885 129 HA GLU 29 HA GLU 29 10.100 1.465 3.636 130 1HB GLU 29 1HB GLU 29 9.587 3.973 4.853 131 2HB GLU 29 2HB GLU 29 8.114 3.051 5.077 132 1HG GLU 29 1HG GLU 29 9.182 2.101 6.854 133 2HG GLU 29 2HG GLU 29 10.036 1.143 5.660 134 H GLY 30 H GLY 30 8.176 3.089 1.377 135 1HA GLY 30 1HA GLY 30 6.081 2.772 0.548 136 2HA GLY 30 2HA GLY 30 6.620 1.104 0.535 137 H ALA 31 H ALA 31 4.395 0.398 0.858 138 HA ALA 31 HA ALA 31 3.617 0.611 3.676 139 1HB ALA 31 1HB ALA 31 1.846 0.962 1.226 140 2HB ALA 31 2HB ALA 31 1.232 0.732 2.881 141 3HB ALA 31 3HB ALA 31 2.199 2.172 2.483 142 H THR 32 H THR 32 4.432 -1.458 4.151 143 HA THR 32 HA THR 32 3.737 -3.672 2.439 144 HB THR 32 HB THR 32 5.870 -3.121 4.034 145 HG1 THR 32 1HG THR 32 5.596 -4.931 2.548 146 1HG2 THR 32 1HG2 THR 32 5.725 -4.718 5.984 147 2HG2 THR 32 2HG2 THR 32 4.654 -3.311 6.185 148 3HG2 THR 32 3HG2 THR 32 3.978 -4.879 5.682 149 H ALA 33 H ALA 33 2.903 -5.744 3.686 150 HA ALA 33 HA ALA 33 0.233 -5.198 4.300 151 1HB ALA 33 1HB ALA 33 0.100 -7.422 3.990 152 2HB ALA 33 2HB ALA 33 1.863 -7.427 3.744 153 3HB ALA 33 3HB ALA 33 1.189 -7.734 5.363 154 H ALA 34 H ALA 34 2.878 -6.444 6.472 155 HA ALA 34 HA ALA 34 1.597 -6.369 8.833 156 1HB ALA 34 1HB ALA 34 3.941 -5.655 9.733 157 2HB ALA 34 2HB ALA 34 3.803 -7.176 8.818 158 3HB ALA 34 3HB ALA 34 4.435 -5.714 8.024 159 H GLN 35 H GLN 35 2.904 -3.576 6.986 160 HA GLN 35 HA GLN 35 2.388 -1.748 9.066 161 1HB GLN 35 1HB GLN 35 3.356 -1.664 6.260 162 2HB GLN 35 2HB GLN 35 2.488 -0.225 6.757 163 1HG GLN 35 1HG GLN 35 4.015 -0.425 8.939 164 2HG GLN 35 2HG GLN 35 5.040 -1.385 7.892 165 1HE2 GLN 35 1HE2 GLN 35 3.047 1.556 7.568 166 2HE2 GLN 35 2HE2 GLN 35 4.254 2.558 6.836 167 H LEU 36 H LEU 36 0.634 -2.847 6.119 168 HA LEU 36 HA LEU 36 -1.451 -0.943 6.407 169 1HB LEU 36 1HB LEU 36 -0.937 -3.364 4.731 170 2HB LEU 36 2HB LEU 36 -2.567 -2.727 4.824 171 HG LEU 36 HG LEU 36 -0.598 -0.633 4.289 172 1HD1 LEU 36 1HD1 LEU 36 0.746 -1.968 3.021 173 2HD1 LEU 36 2HD1 LEU 36 -0.559 -3.115 2.634 174 3HD1 LEU 36 3HD1 LEU 36 -0.477 -1.545 1.799 175 1HD2 LEU 36 1HD2 LEU 36 -3.039 -1.573 2.758 176 2HD2 LEU 36 2HD2 LEU 36 -3.033 -0.367 4.067 177 3HD2 LEU 36 3HD2 LEU 36 -2.177 -0.031 2.542 178 H THR 37 H THR 37 -0.523 -3.575 8.295 179 HA THR 37 HA THR 37 -3.307 -4.072 9.118 180 HB THR 37 HB THR 37 -0.807 -5.803 9.494 181 HG1 THR 37 1HG THR 37 -3.068 -5.709 7.627 182 1HG2 THR 37 1HG2 THR 37 -3.283 -5.958 10.796 183 2HG2 THR 37 2HG2 THR 37 -3.504 -7.026 9.389 184 3HG2 THR 37 3HG2 THR 37 -2.176 -7.328 10.535 185 H ARG 38 H ARG 38 -0.212 -2.721 10.000 186 HA ARG 38 HA ARG 38 -0.874 -2.846 12.790 187 1HB ARG 38 1HB ARG 38 1.507 -3.088 11.806 188 2HB ARG 38 2HB ARG 38 1.458 -1.366 11.485 189 1HG ARG 38 1HG ARG 38 1.947 -0.882 13.648 190 2HG ARG 38 2HG ARG 38 0.597 -1.842 14.221 191 1HD ARG 38 1HD ARG 38 2.147 -3.915 13.740 192 2HD ARG 38 2HD ARG 38 3.451 -2.746 13.690 193 HE ARG 38 HE ARG 38 3.342 -2.611 16.013 194 1HH1 ARG 38 2HH2 ARG 38 0.227 -3.724 14.813 195 2HH1 ARG 38 1HH2 ARG 38 -0.442 -3.960 16.394 196 1HH2 ARG 38 2HH1 ARG 38 2.461 -2.921 18.098 197 2HH2 ARG 38 1HH1 ARG 38 0.838 -3.500 18.275 198 H GLN 39 H GLN 39 -0.365 -0.388 10.170 199 HA GLN 39 HA GLN 39 -0.781 1.850 11.672 200 1HB GLN 39 1HB GLN 39 -0.360 1.268 8.988 201 2HB GLN 39 2HB GLN 39 -1.966 1.968 8.960 202 1HG GLN 39 1HG GLN 39 -0.893 3.982 8.952 203 2HG GLN 39 2HG GLN 39 -0.663 3.710 10.668 204 1HE2 GLN 39 1HE2 GLN 39 1.163 1.678 10.714 205 2HE2 GLN 39 2HE2 GLN 39 2.684 2.196 10.067 206 H LEU 40 H LEU 40 -3.090 -0.555 10.471 207 HA LEU 40 HA LEU 40 -5.286 1.139 11.428 208 1HB LEU 40 1HB LEU 40 -6.551 -0.809 10.113 209 2HB LEU 40 2HB LEU 40 -6.021 0.687 9.371 210 HG LEU 40 HG LEU 40 -4.327 -1.817 9.347 211 1HD1 LEU 40 1HD1 LEU 40 -5.408 -1.495 6.793 212 2HD1 LEU 40 2HD1 LEU 40 -5.789 -2.771 7.973 213 3HD1 LEU 40 3HD1 LEU 40 -6.787 -1.299 7.902 214 1HD2 LEU 40 1HD2 LEU 40 -4.027 -0.051 7.089 215 2HD2 LEU 40 2HD2 LEU 40 -3.813 0.848 8.610 216 3HD2 LEU 40 3HD2 LEU 40 -2.819 -0.591 8.279 217 H ASN 41 H ASN 41 -4.979 -2.439 11.043 218 HA ASN 41 HA ASN 41 -4.596 -2.979 13.715 219 1HB ASN 41 1HB ASN 41 -7.290 -2.155 13.150 220 2HB ASN 41 2HB ASN 41 -7.351 -3.892 13.381 221 1HD2 ASN 41 1HD2 ASN 41 -5.238 -1.400 14.785 222 2HD2 ASN 41 2HD2 ASN 41 -5.630 -1.686 16.448 223 H MET 42 H MET 42 -6.615 -3.935 10.838 224 HA MET 42 HA MET 42 -5.095 -5.946 9.951 225 1HB MET 42 1HB MET 42 -6.264 -6.688 12.481 226 2HB MET 42 2HB MET 42 -7.101 -7.621 11.257 227 1HG MET 42 1HG MET 42 -4.766 -8.234 10.319 228 2HG MET 42 2HG MET 42 -4.097 -7.539 11.782 229 1HE MET 42 1HE MET 42 -3.241 -10.675 12.380 230 2HE MET 42 2HE MET 42 -4.406 -11.540 11.348 231 3HE MET 42 3HE MET 42 -3.573 -10.093 10.731 232 H GLU 43 H GLU 43 -6.902 -3.966 8.994 233 HA GLU 43 HA GLU 43 -9.267 -5.391 8.198 234 1HB GLU 43 1HB GLU 43 -8.302 -2.554 8.093 235 2HB GLU 43 2HB GLU 43 -9.442 -3.038 6.853 236 1HG GLU 43 1HG GLU 43 -10.979 -2.455 8.472 237 2HG GLU 43 2HG GLU 43 -10.721 -4.111 8.982 238 H LYS 44 H LYS 44 -7.314 -6.896 7.200 239 HA LYS 44 HA LYS 44 -6.109 -6.107 4.835 240 1HB LYS 44 1HB LYS 44 -5.425 -8.071 6.093 241 2HB LYS 44 2HB LYS 44 -6.964 -8.853 5.794 242 1HG LYS 44 1HG LYS 44 -5.465 -9.775 4.170 243 2HG LYS 44 2HG LYS 44 -6.465 -8.642 3.282 244 1HD LYS 44 1HD LYS 44 -4.608 -6.886 3.714 245 2HD LYS 44 2HD LYS 44 -3.609 -8.219 4.257 246 1HE LYS 44 1HE LYS 44 -3.400 -9.127 2.125 247 2HE LYS 44 2HE LYS 44 -4.990 -8.592 1.618 248 1HZ LYS 44 1HZ LYS 44 -4.102 -6.328 1.572 249 2HZ LYS 44 2HZ LYS 44 -2.613 -6.894 1.932 250 3HZ LYS 44 3HZ LYS 44 -3.330 -7.317 0.527 251 H ARG 45 H ARG 45 -9.449 -6.835 5.575 252 HA ARG 45 HA ARG 45 -10.230 -7.682 3.057 253 1HB ARG 45 1HB ARG 45 -11.483 -6.898 5.572 254 2HB ARG 45 2HB ARG 45 -12.388 -6.210 4.239 255 1HG ARG 45 1HG ARG 45 -13.402 -8.295 4.323 256 2HG ARG 45 2HG ARG 45 -12.105 -8.670 3.206 257 1HD ARG 45 1HD ARG 45 -11.527 -8.956 6.153 258 2HD ARG 45 2HD ARG 45 -12.563 -10.159 5.411 259 HE ARG 45 HE ARG 45 -10.300 -9.807 3.714 260 1HH1 ARG 45 2HH2 ARG 45 -11.058 -11.047 6.918 261 2HH1 ARG 45 1HH2 ARG 45 -9.741 -12.172 6.934 262 1HH2 ARG 45 2HH1 ARG 45 -8.562 -11.290 3.734 263 2HH2 ARG 45 1HH1 ARG 45 -8.311 -12.311 5.111 264 H GLU 46 H GLU 46 -10.293 -4.409 4.641 265 HA GLU 46 HA GLU 46 -11.177 -3.193 2.227 266 1HB GLU 46 1HB GLU 46 -11.318 -1.194 3.485 267 2HB GLU 46 2HB GLU 46 -11.678 -2.447 4.656 268 1HG GLU 46 1HG GLU 46 -10.084 -1.309 5.882 269 2HG GLU 46 2HG GLU 46 -9.003 -2.377 5.009 270 H VAL 47 H VAL 47 -8.096 -3.732 3.946 271 HA VAL 47 HA VAL 47 -6.607 -1.876 2.406 272 HB VAL 47 HB VAL 47 -6.196 -3.809 4.540 273 1HG1 VAL 47 1HG1 VAL 47 -4.865 -4.954 2.791 274 2HG1 VAL 47 2HG1 VAL 47 -3.924 -3.462 2.554 275 3HG1 VAL 47 3HG1 VAL 47 -3.855 -4.320 4.113 276 1HG2 VAL 47 1HG2 VAL 47 -6.045 -1.428 4.914 277 2HG2 VAL 47 2HG2 VAL 47 -4.440 -2.151 5.180 278 3HG2 VAL 47 3HG2 VAL 47 -4.779 -1.268 3.672 279 H ASN 48 H ASN 48 -7.852 -5.114 1.890 280 HA ASN 48 HA ASN 48 -5.918 -5.727 -0.109 281 1HB ASN 48 1HB ASN 48 -6.854 -7.613 1.075 282 2HB ASN 48 2HB ASN 48 -8.495 -7.035 0.865 283 1HD2 ASN 48 1HD2 ASN 48 -6.153 -9.116 -0.236 284 2HD2 ASN 48 2HD2 ASN 48 -6.799 -9.539 -1.786 285 H LYS 49 H LYS 49 -9.443 -4.863 0.104 286 HA LYS 49 HA LYS 49 -9.893 -4.901 -2.670 287 1HB LYS 49 1HB LYS 49 -11.347 -3.940 -0.243 288 2HB LYS 49 2HB LYS 49 -11.864 -3.319 -1.798 289 1HG LYS 49 1HG LYS 49 -11.659 -5.943 -2.464 290 2HG LYS 49 2HG LYS 49 -11.955 -6.136 -0.748 291 1HD LYS 49 1HD LYS 49 -13.713 -4.258 -2.348 292 2HD LYS 49 2HD LYS 49 -13.992 -5.985 -2.451 293 1HE LYS 49 1HE LYS 49 -15.309 -5.638 -0.603 294 2HE LYS 49 2HE LYS 49 -13.790 -5.721 0.267 295 1HZ LYS 49 1HZ LYS 49 -13.930 -3.157 -0.580 296 2HZ LYS 49 2HZ LYS 49 -15.473 -3.490 -0.165 297 3HZ LYS 49 3HZ LYS 49 -14.274 -3.685 0.926 298 H ALA 50 H ALA 50 -8.617 -2.476 -0.396 299 HA ALA 50 HA ALA 50 -8.856 -0.323 -2.258 300 1HB ALA 50 1HB ALA 50 -8.859 -0.126 0.259 301 2HB ALA 50 2HB ALA 50 -7.130 -0.548 0.237 302 3HB ALA 50 3HB ALA 50 -7.693 0.942 -0.558 303 H LEU 51 H LEU 51 -6.217 -2.509 -1.091 304 HA LEU 51 HA LEU 51 -4.224 -1.310 -2.670 305 1HB LEU 51 1HB LEU 51 -4.498 -3.954 -1.263 306 2HB LEU 51 2HB LEU 51 -3.092 -3.582 -2.242 307 HG LEU 51 HG LEU 51 -4.014 -1.890 0.096 308 1HD1 LEU 51 1HD1 LEU 51 -3.381 -4.210 0.767 309 2HD1 LEU 51 2HD1 LEU 51 -1.766 -3.918 0.078 310 3HD1 LEU 51 3HD1 LEU 51 -2.338 -2.938 1.450 311 1HD2 LEU 51 1HD2 LEU 51 -1.770 -1.723 -1.851 312 2HD2 LEU 51 2HD2 LEU 51 -2.689 -0.435 -1.035 313 3HD2 LEU 51 3HD2 LEU 51 -1.417 -1.316 -0.155 314 H TYR 52 H TYR 52 -6.791 -3.654 -3.312 315 HA TYR 52 HA TYR 52 -5.627 -4.709 -5.678 316 1HB TYR 52 1HB TYR 52 -7.346 -6.003 -4.607 317 2HB TYR 52 2HB TYR 52 -8.296 -4.582 -4.220 318 HD1 TYR 52 1HD TYR 52 -9.719 -3.510 -5.969 319 HD2 TYR 52 2HD TYR 52 -7.649 -7.185 -6.685 320 HE1 TYR 52 1HE TYR 52 -11.208 -3.965 -7.979 321 HE2 TYR 52 2HE TYR 52 -9.145 -7.628 -8.693 322 HH TYR 52 HH TYR 52 -11.241 -7.028 -9.540 323 H ASP 53 H ASP 53 -8.201 -2.234 -5.016 324 HA ASP 53 HA ASP 53 -8.728 -1.698 -7.661 325 1HB ASP 53 1HB ASP 53 -9.658 -0.820 -5.211 326 2HB ASP 53 2HB ASP 53 -8.825 0.615 -5.777 327 H LEU 54 H LEU 54 -6.319 -0.375 -5.321 328 HA LEU 54 HA LEU 54 -5.423 1.737 -6.937 329 1HB LEU 54 1HB LEU 54 -4.235 0.229 -4.617 330 2HB LEU 54 2HB LEU 54 -3.379 1.533 -5.415 331 HG LEU 54 HG LEU 54 -5.896 1.652 -3.772 332 1HD1 LEU 54 1HD1 LEU 54 -3.342 2.005 -3.043 333 2HD1 LEU 54 2HD1 LEU 54 -3.716 3.662 -3.576 334 3HD1 LEU 54 3HD1 LEU 54 -4.697 2.893 -2.305 335 1HD2 LEU 54 1HD2 LEU 54 -5.818 4.178 -4.528 336 2HD2 LEU 54 2HD2 LEU 54 -5.100 3.481 -6.000 337 3HD2 LEU 54 3HD2 LEU 54 -6.715 2.958 -5.463 338 H GLN 55 H GLN 55 -4.403 -1.702 -6.568 339 HA GLN 55 HA GLN 55 -2.149 -1.537 -8.126 340 1HB GLN 55 1HB GLN 55 -3.330 -3.502 -6.690 341 2HB GLN 55 2HB GLN 55 -3.831 -4.020 -8.288 342 1HG GLN 55 1HG GLN 55 -1.146 -3.403 -8.698 343 2HG GLN 55 2HG GLN 55 -1.128 -4.031 -7.062 344 1HE2 GLN 55 1HE2 GLN 55 -0.077 -5.133 -9.563 345 2HE2 GLN 55 2HE2 GLN 55 -0.777 -6.704 -9.765 346 H ARG 56 H ARG 56 -5.561 -2.351 -9.059 347 HA ARG 56 HA ARG 56 -4.895 -2.629 -11.766 348 1HB ARG 56 1HB ARG 56 -7.422 -2.494 -10.133 349 2HB ARG 56 2HB ARG 56 -7.581 -2.179 -11.850 350 1HG ARG 56 1HG ARG 56 -7.905 -4.562 -11.508 351 2HG ARG 56 2HG ARG 56 -6.368 -4.348 -12.321 352 1HD ARG 56 1HD ARG 56 -5.284 -4.380 -9.961 353 2HD ARG 56 2HD ARG 56 -6.834 -4.943 -9.368 354 HE ARG 56 HE ARG 56 -4.893 -6.504 -10.849 355 1HH1 ARG 56 2HH2 ARG 56 -8.351 -6.114 -10.326 356 2HH1 ARG 56 1HH2 ARG 56 -8.728 -7.753 -10.741 357 1HH2 ARG 56 2HH1 ARG 56 -5.390 -8.667 -11.397 358 2HH2 ARG 56 1HH1 ARG 56 -7.033 -9.215 -11.354 359 H SER 57 H SER 57 -5.445 0.089 -9.662 360 HA SER 57 HA SER 57 -6.361 1.813 -11.744 361 1HB SER 57 1HB SER 57 -5.533 2.280 -8.852 362 2HB SER 57 2HB SER 57 -6.016 3.589 -9.912 363 HG SER 57 HG SER 57 -7.577 1.594 -8.683 364 H ALA 58 H ALA 58 -3.316 0.884 -10.155 365 HA ALA 58 HA ALA 58 -1.225 1.166 -10.921 366 1HB ALA 58 1HB ALA 58 -1.931 3.399 -12.792 367 2HB ALA 58 2HB ALA 58 -0.788 2.051 -13.004 368 3HB ALA 58 3HB ALA 58 -2.537 1.770 -13.177 369 H MET 59 H MET 59 -2.967 2.795 -8.927 370 HA MET 59 HA MET 59 -1.675 5.324 -8.881 371 1HB MET 59 1HB MET 59 -3.268 3.927 -6.664 372 2HB MET 59 2HB MET 59 -3.012 5.653 -6.830 373 1HG MET 59 1HG MET 59 -4.189 4.522 -9.275 374 2HG MET 59 2HG MET 59 -5.177 4.158 -7.875 375 1HE MET 59 1HE MET 59 -7.292 6.746 -7.581 376 2HE MET 59 2HE MET 59 -6.546 5.283 -6.895 377 3HE MET 59 3HE MET 59 -6.178 6.879 -6.200 378 H VAL 60 H VAL 60 -0.941 2.116 -7.748 379 HA VAL 60 HA VAL 60 1.328 3.219 -6.272 380 HB VAL 60 HB VAL 60 1.007 1.724 -4.445 381 1HG1 VAL 60 1HG1 VAL 60 -0.524 3.910 -4.855 382 2HG1 VAL 60 2HG1 VAL 60 -1.799 2.685 -4.655 383 3HG1 VAL 60 3HG1 VAL 60 -0.591 2.930 -3.371 384 1HG2 VAL 60 1HG2 VAL 60 -0.903 0.195 -4.263 385 2HG2 VAL 60 2HG2 VAL 60 -1.447 0.667 -5.891 386 3HG2 VAL 60 3HG2 VAL 60 0.097 -0.195 -5.683 387 H TYR 61 H TYR 61 2.206 0.531 -5.462 388 HA TYR 61 HA TYR 61 2.291 -1.192 -7.674 389 1HB TYR 61 1HB TYR 61 3.657 0.933 -8.389 390 2HB TYR 61 2HB TYR 61 4.790 0.517 -7.119 391 HD1 TYR 61 1HD TYR 61 6.735 0.046 -8.382 392 HD2 TYR 61 2HD TYR 61 3.046 -1.871 -9.391 393 HE1 TYR 61 1HE TYR 61 7.966 -1.491 -9.990 394 HE2 TYR 61 2HE TYR 61 4.289 -3.402 -10.996 395 HH TYR 61 HH TYR 61 6.202 -3.673 -12.102 396 H SER 62 H SER 62 4.630 -2.537 -7.381 397 HA SER 62 HA SER 62 4.710 -3.044 -4.508 398 1HB SER 62 1HB SER 62 3.904 -4.791 -6.574 399 2HB SER 62 2HB SER 62 5.525 -5.319 -6.170 400 HG SER 62 HG SER 62 4.916 -5.778 -4.078 401 H SER 63 H SER 63 6.825 -3.872 -3.684 402 HA SER 63 HA SER 63 8.932 -2.409 -4.802 403 1HB SER 63 1HB SER 63 8.611 -3.036 -2.352 404 2HB SER 63 2HB SER 63 9.112 -4.664 -2.760 405 HG SER 63 HG SER 63 11.179 -4.027 -3.022 406 H ASP 64 H ASP 64 7.555 -5.492 -5.524 407 HA ASP 64 HA ASP 64 8.089 -7.069 -6.913 408 1HB ASP 64 1HB ASP 64 8.960 -5.007 -8.268 409 2HB ASP 64 2HB ASP 64 10.563 -5.524 -7.783 410 H ASP 65 H ASP 65 9.250 -6.905 -4.160 411 HA ASP 65 HA ASP 65 11.094 -9.017 -4.425 412 1HB ASP 65 1HB ASP 65 12.324 -6.594 -4.642 413 2HB ASP 65 2HB ASP 65 12.285 -6.722 -2.895 414 H ILE 66 H ILE 66 11.816 -9.728 -2.105 415 HA ILE 66 HA ILE 66 9.593 -9.227 -0.310 416 HB ILE 66 HB ILE 66 11.818 -11.258 -0.371 417 1HG1 ILE 66 1HG1 ILE 66 8.885 -11.877 -0.415 418 2HG1 ILE 66 2HG1 ILE 66 9.645 -11.286 -1.879 419 1HG2 ILE 66 1HG2 ILE 66 11.189 -12.142 1.665 420 2HG2 ILE 66 2HG2 ILE 66 11.060 -10.393 1.971 421 3HG2 ILE 66 3HG2 ILE 66 9.595 -11.349 1.643 422 1HD1 ILE 66 1HD1 ILE 66 10.449 -13.747 -0.266 423 2HD1 ILE 66 2HD1 ILE 66 9.767 -13.710 -1.910 424 3HD1 ILE 66 3HD1 ILE 66 11.412 -13.097 -1.615 425 HA PRO 67 HA PRO 67 9.178 -9.402 1.587 426 1HB PRO 67 1HB PRO 67 8.030 -7.640 3.333 427 2HB PRO 67 2HB PRO 67 8.999 -9.006 3.848 428 1HG PRO 67 1HG PRO 67 9.721 -6.140 3.788 429 2HG PRO 67 2HG PRO 67 10.483 -7.446 4.674 430 1HD PRO 67 1HD PRO 67 11.447 -6.209 2.272 431 2HD PRO 67 2HD PRO 67 12.147 -7.590 3.094 432 HA PRO 68 HA PRO 68 6.651 -7.279 -1.079 433 1HB PRO 68 1HB PRO 68 4.121 -8.039 -0.378 434 2HB PRO 68 2HB PRO 68 5.192 -9.042 -1.336 435 1HG PRO 68 1HG PRO 68 4.439 -9.326 1.508 436 2HG PRO 68 2HG PRO 68 5.145 -10.519 0.435 437 1HD PRO 68 1HD PRO 68 6.501 -9.039 2.484 438 2HD PRO 68 2HD PRO 68 7.227 -10.145 1.334 439 H ARG 69 H ARG 69 6.720 -5.120 -1.099 440 HA ARG 69 HA ARG 69 4.988 -3.926 0.909 441 1HB ARG 69 1HB ARG 69 7.595 -2.690 -0.100 442 2HB ARG 69 2HB ARG 69 6.582 -2.082 1.194 443 1HG ARG 69 1HG ARG 69 7.225 -3.786 2.694 444 2HG ARG 69 2HG ARG 69 7.664 -4.896 1.412 445 1HD ARG 69 1HD ARG 69 9.748 -3.849 1.024 446 2HD ARG 69 2HD ARG 69 9.221 -2.315 1.688 447 HE ARG 69 HE ARG 69 9.101 -4.213 3.797 448 1HH1 ARG 69 2HH2 ARG 69 11.532 -2.707 1.747 449 2HH1 ARG 69 1HH2 ARG 69 12.792 -2.836 2.929 450 1HH2 ARG 69 2HH1 ARG 69 10.763 -4.383 5.356 451 2HH2 ARG 69 1HH1 ARG 69 12.352 -3.796 4.995 452 H TRP 70 H TRP 70 3.690 -2.173 0.166 453 HA TRP 70 HA TRP 70 3.485 -1.985 -2.704 454 1HB TRP 70 1HB TRP 70 1.866 -0.725 -0.483 455 2HB TRP 70 2HB TRP 70 1.505 -0.598 -2.193 456 HD1 TRP 70 HD TRP 70 1.773 -3.399 0.511 457 HE1 TRP 70 1HE TRP 70 0.142 -5.395 -0.057 458 HE3 TRP 70 3HE TRP 70 0.207 -1.541 -3.956 459 HZ2 TRP 70 2HZ TRP 70 -1.582 -5.959 -2.260 460 HZ3 TRP 70 3HZ TRP 70 -1.451 -2.876 -5.252 461 HH2 TRP 70 HH TRP 70 -2.342 -5.014 -4.472 462 H PHE 71 H PHE 71 4.593 -0.481 -3.879 463 HA PHE 71 HA PHE 71 5.535 1.886 -2.418 464 1HB PHE 71 1HB PHE 71 6.630 0.052 -4.584 465 2HB PHE 71 2HB PHE 71 7.138 1.728 -4.618 466 HD1 PHE 71 1HD PHE 71 6.458 0.436 -1.331 467 HD2 PHE 71 2HD PHE 71 9.447 0.768 -4.325 468 HE1 PHE 71 1HE PHE 71 8.226 -0.064 0.379 469 HE2 PHE 71 2HE PHE 71 11.215 0.267 -2.614 470 HZ PHE 71 HZ PHE 71 10.583 -0.143 -0.283 471 H MET 72 H MET 72 6.286 3.542 -4.459 472 HA MET 72 HA MET 72 3.742 3.943 -5.825 473 1HB MET 72 1HB MET 72 4.391 6.354 -5.854 474 2HB MET 72 2HB MET 72 4.438 5.736 -4.215 475 1HG MET 72 1HG MET 72 7.025 5.199 -5.166 476 2HG MET 72 2HG MET 72 6.648 6.746 -5.898 477 1HE MET 72 1HE MET 72 8.869 5.973 -3.635 478 2HE MET 72 2HE MET 72 8.779 7.589 -4.377 479 3HE MET 72 3HE MET 72 8.808 7.423 -2.605 480 H THR 73 H THR 73 4.496 2.381 -7.512 481 HA THR 73 HA THR 73 5.825 1.776 -9.275 482 HB THR 73 HB THR 73 3.775 3.076 -10.025 483 HG1 THR 73 1HG THR 73 4.745 2.481 -11.921 484 1HG2 THR 73 1HG2 THR 73 5.478 5.332 -9.392 485 2HG2 THR 73 2HG2 THR 73 5.196 5.316 -11.150 486 3HG2 THR 73 3HG2 THR 73 3.815 5.358 -10.028 487 H THR 74 H THR 74 7.842 2.003 -7.868 488 HA THR 74 HA THR 74 9.550 4.063 -9.103 489 HB THR 74 HB THR 74 8.971 4.455 -6.652 490 HG1 THR 74 1HG THR 74 11.705 3.558 -7.221 491 1HG2 THR 74 1HG2 THR 74 10.659 2.837 -5.260 492 2HG2 THR 74 2HG2 THR 74 8.929 2.460 -5.442 493 3HG2 THR 74 3HG2 THR 74 10.127 1.679 -6.502 Start of MODEL 6 1 H ARG 13 H ARG 13 -11.092 6.942 -2.157 2 HA ARG 13 HA ARG 13 -11.000 8.894 -1.198 3 1HB ARG 13 1HB ARG 13 -13.186 9.375 -2.597 4 2HB ARG 13 2HB ARG 13 -14.029 9.168 -1.075 5 1HG ARG 13 1HG ARG 13 -13.613 11.405 -0.804 6 2HG ARG 13 2HG ARG 13 -12.032 10.866 -0.272 7 1HD ARG 13 1HD ARG 13 -10.981 11.548 -2.224 8 2HD ARG 13 2HD ARG 13 -12.357 11.157 -3.235 9 HE ARG 13 HE ARG 13 -13.075 13.350 -1.538 10 1HH1 ARG 13 2HH2 ARG 13 -10.991 12.627 -4.279 11 2HH1 ARG 13 1HH2 ARG 13 -11.027 14.244 -4.897 12 1HH2 ARG 13 2HH1 ARG 13 -13.124 15.484 -2.353 13 2HH2 ARG 13 1HH1 ARG 13 -12.249 15.881 -3.794 14 H SER 14 H SER 14 -10.200 7.995 0.763 15 HA SER 14 HA SER 14 -11.536 8.494 3.042 16 1HB SER 14 1HB SER 14 -12.669 6.173 1.845 17 2HB SER 14 2HB SER 14 -11.697 5.587 3.179 18 HG SER 14 HG SER 14 -13.350 6.158 4.409 19 H ASN 15 H ASN 15 -10.027 5.294 2.238 20 HA ASN 15 HA ASN 15 -7.833 6.072 3.970 21 1HB ASN 15 1HB ASN 15 -9.301 3.829 4.125 22 2HB ASN 15 2HB ASN 15 -8.210 3.269 2.872 23 1HD2 ASN 15 1HD2 ASN 15 -6.957 1.866 3.890 24 2HD2 ASN 15 2HD2 ASN 15 -5.970 2.186 5.277 25 H ALA 16 H ALA 16 -8.662 4.537 0.786 26 HA ALA 16 HA ALA 16 -6.253 3.956 -0.242 27 1HB ALA 16 1HB ALA 16 -8.653 5.286 -1.552 28 2HB ALA 16 2HB ALA 16 -7.282 4.613 -2.465 29 3HB ALA 16 3HB ALA 16 -8.289 3.546 -1.458 30 H GLU 17 H GLU 17 -7.729 7.232 0.064 31 HA GLU 17 HA GLU 17 -5.619 8.488 -1.303 32 1HB GLU 17 1HB GLU 17 -6.657 10.579 -0.525 33 2HB GLU 17 2HB GLU 17 -7.885 9.474 -1.111 34 1HG GLU 17 1HG GLU 17 -8.897 10.016 0.889 35 2HG GLU 17 2HG GLU 17 -7.890 8.713 1.489 36 H ILE 18 H ILE 18 -6.349 7.751 2.134 37 HA ILE 18 HA ILE 18 -4.226 9.315 3.166 38 HB ILE 18 HB ILE 18 -6.017 7.162 4.248 39 1HG1 ILE 18 1HG1 ILE 18 -7.036 9.332 3.954 40 2HG1 ILE 18 2HG1 ILE 18 -6.833 9.007 5.664 41 1HG2 ILE 18 1HG2 ILE 18 -3.411 7.944 5.284 42 2HG2 ILE 18 2HG2 ILE 18 -4.722 8.262 6.446 43 3HG2 ILE 18 3HG2 ILE 18 -4.498 6.625 5.783 44 1HD1 ILE 18 1HD1 ILE 18 -5.766 11.001 5.818 45 2HD1 ILE 18 2HD1 ILE 18 -4.422 10.267 4.912 46 3HD1 ILE 18 3HD1 ILE 18 -5.695 11.161 4.047 47 H VAL 19 H VAL 19 -4.553 6.024 1.862 48 HA VAL 19 HA VAL 19 -2.091 5.091 2.918 49 HB VAL 19 HB VAL 19 -3.459 4.034 0.459 50 1HG1 VAL 19 1HG1 VAL 19 -2.062 2.655 2.778 51 2HG1 VAL 19 2HG1 VAL 19 -2.704 1.876 1.311 52 3HG1 VAL 19 3HG1 VAL 19 -1.333 3.005 1.192 53 1HG2 VAL 19 1HG2 VAL 19 -4.670 4.405 3.069 54 2HG2 VAL 19 2HG2 VAL 19 -5.388 3.797 1.558 55 3HG2 VAL 19 3HG2 VAL 19 -4.553 2.676 2.660 56 H CYS 20 H CYS 20 -3.154 6.685 -0.126 57 HA CYS 20 HA CYS 20 -0.665 6.361 -1.410 58 1HB CYS 20 1HB CYS 20 -2.888 6.789 -2.537 59 2HB CYS 20 2HB CYS 20 -2.779 8.454 -2.003 60 HG CYS 20 HG CYS 20 -1.953 8.764 -4.305 61 H GLU 21 H GLU 21 -2.196 8.821 0.715 62 HA GLU 21 HA GLU 21 -0.217 10.761 0.316 63 1HB GLU 21 1HB GLU 21 -2.694 10.642 1.576 64 2HB GLU 21 2HB GLU 21 -1.598 10.805 2.934 65 1HG GLU 21 1HG GLU 21 -0.547 12.800 1.852 66 2HG GLU 21 2HG GLU 21 -1.633 12.635 0.486 67 H ALA 22 H ALA 22 -0.541 7.928 2.438 68 HA ALA 22 HA ALA 22 1.574 8.724 4.190 69 1HB ALA 22 1HB ALA 22 0.071 6.122 3.719 70 2HB ALA 22 2HB ALA 22 1.310 6.334 4.979 71 3HB ALA 22 3HB ALA 22 -0.184 7.300 5.028 72 H ILE 23 H ILE 23 1.212 6.096 1.696 73 HA ILE 23 HA ILE 23 3.772 5.209 1.678 74 HB ILE 23 HB ILE 23 1.937 4.195 0.459 75 1HG1 ILE 23 1HG1 ILE 23 4.303 4.920 -1.294 76 2HG1 ILE 23 2HG1 ILE 23 4.231 3.601 -0.142 77 1HG2 ILE 23 1HG2 ILE 23 0.962 5.064 -1.492 78 2HG2 ILE 23 2HG2 ILE 23 1.025 6.436 -0.360 79 3HG2 ILE 23 3HG2 ILE 23 2.219 6.311 -1.674 80 1HD1 ILE 23 1HD1 ILE 23 3.514 2.336 -1.894 81 2HD1 ILE 23 2HD1 ILE 23 1.950 3.159 -1.679 82 3HD1 ILE 23 3HD1 ILE 23 3.121 3.770 -2.873 83 H LYS 24 H LYS 24 2.428 8.073 -0.069 84 HA LYS 24 HA LYS 24 4.860 8.704 -1.339 85 1HB LYS 24 1HB LYS 24 2.777 9.487 -2.241 86 2HB LYS 24 2HB LYS 24 2.361 10.309 -0.751 87 1HG LYS 24 1HG LYS 24 3.267 12.147 -1.770 88 2HG LYS 24 2HG LYS 24 4.799 11.462 -1.264 89 1HD LYS 24 1HD LYS 24 4.672 10.114 -3.533 90 2HD LYS 24 2HD LYS 24 3.480 11.314 -3.993 91 1HE LYS 24 1HE LYS 24 5.085 13.138 -3.645 92 2HE LYS 24 2HE LYS 24 6.263 12.034 -2.963 93 1HZ LYS 24 1HZ LYS 24 5.762 10.900 -5.310 94 2HZ LYS 24 2HZ LYS 24 5.573 12.474 -5.704 95 3HZ LYS 24 3HZ LYS 24 6.979 11.958 -5.053 96 H THR 25 H THR 25 3.269 9.859 1.701 97 HA THR 25 HA THR 25 5.181 11.755 2.380 98 HB THR 25 HB THR 25 3.130 10.059 3.834 99 HG1 THR 25 1HG THR 25 2.277 12.232 3.993 100 1HG2 THR 25 1HG2 THR 25 5.046 10.388 5.459 101 2HG2 THR 25 2HG2 THR 25 4.973 12.136 5.132 102 3HG2 THR 25 3HG2 THR 25 3.597 11.317 5.910 103 H ILE 26 H ILE 26 5.354 8.248 2.405 104 HA ILE 26 HA ILE 26 7.519 8.170 4.274 105 HB ILE 26 HB ILE 26 6.368 6.111 2.390 106 1HG1 ILE 26 1HG1 ILE 26 6.059 6.097 5.376 107 2HG1 ILE 26 2HG1 ILE 26 5.031 7.140 4.414 108 1HG2 ILE 26 1HG2 ILE 26 7.772 4.507 3.227 109 2HG2 ILE 26 2HG2 ILE 26 8.859 5.916 3.231 110 3HG2 ILE 26 3HG2 ILE 26 8.074 5.393 4.740 111 1HD1 ILE 26 1HD1 ILE 26 4.766 4.320 4.846 112 2HD1 ILE 26 2HD1 ILE 26 3.732 5.377 3.855 113 3HD1 ILE 26 3HD1 ILE 26 5.133 4.561 3.121 114 H GLY 27 H GLY 27 7.911 6.390 1.265 115 1HA GLY 27 1HA GLY 27 9.249 7.890 -0.457 116 2HA GLY 27 2HA GLY 27 10.441 7.774 0.822 117 H ILE 28 H ILE 28 11.018 5.512 1.616 118 HA ILE 28 HA ILE 28 10.870 3.652 -0.653 119 HB ILE 28 HB ILE 28 13.037 3.079 -0.369 120 1HG1 ILE 28 1HG1 ILE 28 14.131 3.782 2.022 121 2HG1 ILE 28 2HG1 ILE 28 12.480 3.462 2.516 122 1HG2 ILE 28 1HG2 ILE 28 13.421 5.742 0.952 123 2HG2 ILE 28 2HG2 ILE 28 14.311 4.994 -0.396 124 3HG2 ILE 28 3HG2 ILE 28 12.682 5.660 -0.665 125 1HD1 ILE 28 1HD1 ILE 28 14.193 1.474 2.457 126 2HD1 ILE 28 2HD1 ILE 28 12.556 1.208 1.811 127 3HD1 ILE 28 3HD1 ILE 28 13.914 1.504 0.699 128 H GLU 29 H GLU 29 10.156 4.279 2.711 129 HA GLU 29 HA GLU 29 10.095 1.638 3.586 130 1HB GLU 29 1HB GLU 29 9.681 4.176 4.699 131 2HB GLU 29 2HB GLU 29 8.113 3.409 4.858 132 1HG GLU 29 1HG GLU 29 8.935 2.358 6.697 133 2HG GLU 29 2HG GLU 29 9.883 1.369 5.605 134 H GLY 30 H GLY 30 8.216 3.217 1.238 135 1HA GLY 30 1HA GLY 30 6.123 2.894 0.400 136 2HA GLY 30 2HA GLY 30 6.657 1.225 0.424 137 H ALA 31 H ALA 31 4.440 0.514 0.749 138 HA ALA 31 HA ALA 31 3.661 0.734 3.560 139 1HB ALA 31 1HB ALA 31 1.390 0.684 1.695 140 2HB ALA 31 2HB ALA 31 1.678 1.719 3.114 141 3HB ALA 31 3HB ALA 31 2.384 2.152 1.538 142 H THR 32 H THR 32 4.292 -1.367 4.058 143 HA THR 32 HA THR 32 3.598 -3.522 2.270 144 HB THR 32 HB THR 32 5.735 -3.262 3.726 145 HG1 THR 32 1HG THR 32 4.784 -5.264 2.694 146 1HG2 THR 32 1HG2 THR 32 3.909 -3.019 5.829 147 2HG2 THR 32 2HG2 THR 32 4.348 -4.743 5.891 148 3HG2 THR 32 3HG2 THR 32 5.614 -3.498 6.010 149 H ALA 33 H ALA 33 2.948 -5.531 4.189 150 HA ALA 33 HA ALA 33 0.139 -4.941 4.409 151 1HB ALA 33 1HB ALA 33 1.197 -7.132 3.612 152 2HB ALA 33 2HB ALA 33 1.621 -7.432 5.314 153 3HB ALA 33 3HB ALA 33 -0.087 -7.278 4.836 154 H ALA 34 H ALA 34 2.743 -6.070 6.689 155 HA ALA 34 HA ALA 34 1.471 -5.998 9.024 156 1HB ALA 34 1HB ALA 34 3.705 -6.547 9.206 157 2HB ALA 34 2HB ALA 34 4.231 -5.216 8.146 158 3HB ALA 34 3HB ALA 34 3.763 -4.881 9.830 159 H GLN 35 H GLN 35 3.022 -3.050 7.554 160 HA GLN 35 HA GLN 35 2.098 -1.293 9.427 161 1HB GLN 35 1HB GLN 35 3.755 -1.011 7.400 162 2HB GLN 35 2HB GLN 35 2.329 -0.519 6.507 163 1HG GLN 35 1HG GLN 35 2.367 0.826 9.092 164 2HG GLN 35 2HG GLN 35 3.904 1.067 8.287 165 1HE2 GLN 35 1HE2 GLN 35 3.954 1.959 6.174 166 2HE2 GLN 35 2HE2 GLN 35 2.691 2.994 5.597 167 H LEU 36 H LEU 36 0.546 -2.422 6.365 168 HA LEU 36 HA LEU 36 -1.685 -0.715 6.593 169 1HB LEU 36 1HB LEU 36 -0.837 -3.006 4.928 170 2HB LEU 36 2HB LEU 36 -2.567 -2.766 5.065 171 HG LEU 36 HG LEU 36 -2.178 -0.355 4.355 172 1HD1 LEU 36 1HD1 LEU 36 0.472 -0.925 4.776 173 2HD1 LEU 36 2HD1 LEU 36 0.337 -1.039 3.005 174 3HD1 LEU 36 3HD1 LEU 36 -0.157 0.453 3.841 175 1HD2 LEU 36 1HD2 LEU 36 -3.009 -2.265 2.904 176 2HD2 LEU 36 2HD2 LEU 36 -2.289 -0.876 2.055 177 3HD2 LEU 36 3HD2 LEU 36 -1.351 -2.375 2.266 178 H THR 37 H THR 37 -0.647 -3.329 8.498 179 HA THR 37 HA THR 37 -3.410 -4.006 9.244 180 HB THR 37 HB THR 37 -0.741 -5.441 9.704 181 HG1 THR 37 1HG THR 37 -1.887 -6.880 8.113 182 1HG2 THR 37 1HG2 THR 37 -3.189 -5.746 11.112 183 2HG2 THR 37 2HG2 THR 37 -3.211 -7.018 9.867 184 3HG2 THR 37 3HG2 THR 37 -1.864 -6.932 11.028 185 H ARG 38 H ARG 38 -0.614 -2.200 10.187 186 HA ARG 38 HA ARG 38 -1.360 -2.340 12.960 187 1HB ARG 38 1HB ARG 38 1.081 -2.247 11.975 188 2HB ARG 38 2HB ARG 38 0.787 -0.530 11.783 189 1HG ARG 38 1HG ARG 38 0.144 -0.456 14.262 190 2HG ARG 38 2HG ARG 38 0.691 -2.116 14.389 191 1HD ARG 38 1HD ARG 38 2.968 -1.476 13.691 192 2HD ARG 38 2HD ARG 38 2.450 0.166 13.369 193 HE ARG 38 HE ARG 38 1.779 -0.479 16.078 194 1HH1 ARG 38 2HH2 ARG 38 4.603 0.127 14.067 195 2HH1 ARG 38 1HH2 ARG 38 5.569 0.715 15.379 196 1HH2 ARG 38 2HH1 ARG 38 3.054 0.297 17.809 197 2HH2 ARG 38 1HH1 ARG 38 4.682 0.812 17.521 198 H GLN 39 H GLN 39 -0.941 0.139 10.330 199 HA GLN 39 HA GLN 39 -1.740 2.330 11.684 200 1HB GLN 39 1HB GLN 39 -1.244 1.641 9.005 201 2HB GLN 39 2HB GLN 39 -2.882 2.263 8.974 202 1HG GLN 39 1HG GLN 39 -2.013 4.357 9.012 203 2HG GLN 39 2HG GLN 39 -1.505 4.057 10.663 204 1HE2 GLN 39 1HE2 GLN 39 0.477 2.342 10.583 205 2HE2 GLN 39 2HE2 GLN 39 1.828 2.899 9.652 206 H LEU 40 H LEU 40 -3.700 -0.394 10.541 207 HA LEU 40 HA LEU 40 -6.110 1.046 11.398 208 1HB LEU 40 1HB LEU 40 -7.101 -1.067 10.106 209 2HB LEU 40 2HB LEU 40 -6.736 0.465 9.338 210 HG LEU 40 HG LEU 40 -4.626 -1.670 9.423 211 1HD1 LEU 40 1HD1 LEU 40 -6.292 -1.707 7.005 212 2HD1 LEU 40 2HD1 LEU 40 -5.586 -3.045 7.942 213 3HD1 LEU 40 3HD1 LEU 40 -7.115 -2.301 8.467 214 1HD2 LEU 40 1HD2 LEU 40 -4.629 -0.419 6.950 215 2HD2 LEU 40 2HD2 LEU 40 -5.063 0.883 8.083 216 3HD2 LEU 40 3HD2 LEU 40 -3.565 -0.047 8.328 217 H ASN 41 H ASN 41 -5.344 -2.473 11.108 218 HA ASN 41 HA ASN 41 -4.987 -2.888 13.812 219 1HB ASN 41 1HB ASN 41 -7.749 -2.491 13.100 220 2HB ASN 41 2HB ASN 41 -7.557 -4.204 13.415 221 1HD2 ASN 41 1HD2 ASN 41 -5.984 -1.308 14.762 222 2HD2 ASN 41 2HD2 ASN 41 -6.378 -1.596 16.424 223 H MET 42 H MET 42 -6.742 -4.205 10.903 224 HA MET 42 HA MET 42 -4.918 -5.981 10.106 225 1HB MET 42 1HB MET 42 -5.970 -8.174 11.120 226 2HB MET 42 2HB MET 42 -4.874 -7.252 12.130 227 1HG MET 42 1HG MET 42 -7.496 -6.129 12.502 228 2HG MET 42 2HG MET 42 -7.668 -7.870 12.599 229 1HE MET 42 1HE MET 42 -8.537 -7.040 14.951 230 2HE MET 42 2HE MET 42 -7.795 -8.648 15.124 231 3HE MET 42 3HE MET 42 -7.468 -7.382 16.331 232 H GLU 43 H GLU 43 -6.992 -4.337 9.062 233 HA GLU 43 HA GLU 43 -9.022 -6.211 8.209 234 1HB GLU 43 1HB GLU 43 -8.819 -3.287 8.501 235 2HB GLU 43 2HB GLU 43 -9.534 -3.749 6.970 236 1HG GLU 43 1HG GLU 43 -10.464 -5.022 9.570 237 2HG GLU 43 2HG GLU 43 -11.105 -3.477 9.047 238 H LYS 44 H LYS 44 -6.803 -7.192 7.165 239 HA LYS 44 HA LYS 44 -5.783 -5.993 4.873 240 1HB LYS 44 1HB LYS 44 -4.726 -7.846 6.131 241 2HB LYS 44 2HB LYS 44 -5.971 -8.941 5.563 242 1HG LYS 44 1HG LYS 44 -5.277 -8.688 3.254 243 2HG LYS 44 2HG LYS 44 -4.250 -7.321 3.639 244 1HD LYS 44 1HD LYS 44 -2.825 -8.840 5.071 245 2HD LYS 44 2HD LYS 44 -3.822 -10.196 4.582 246 1HE LYS 44 1HE LYS 44 -3.223 -9.774 2.187 247 2HE LYS 44 2HE LYS 44 -2.228 -8.417 2.674 248 1HZ LYS 44 1HZ LYS 44 -1.506 -11.063 2.591 249 2HZ LYS 44 2HZ LYS 44 -0.609 -9.811 3.133 250 3HZ LYS 44 3HZ LYS 44 -1.531 -10.667 4.175 251 H ARG 45 H ARG 45 -8.888 -7.392 5.519 252 HA ARG 45 HA ARG 45 -9.464 -8.407 3.022 253 1HB ARG 45 1HB ARG 45 -11.087 -7.354 5.343 254 2HB ARG 45 2HB ARG 45 -11.924 -7.649 3.832 255 1HG ARG 45 1HG ARG 45 -11.436 -9.974 3.858 256 2HG ARG 45 2HG ARG 45 -10.089 -9.781 4.962 257 1HD ARG 45 1HD ARG 45 -11.800 -9.021 6.735 258 2HD ARG 45 2HD ARG 45 -13.058 -9.530 5.626 259 HE ARG 45 HE ARG 45 -11.328 -11.269 7.202 260 1HH1 ARG 45 2HH2 ARG 45 -13.232 -11.074 4.249 261 2HH1 ARG 45 1HH2 ARG 45 -13.463 -12.787 4.133 262 1HH2 ARG 45 2HH1 ARG 45 -11.632 -13.528 7.050 263 2HH2 ARG 45 1HH1 ARG 45 -12.547 -14.192 5.738 264 H GLU 46 H GLU 46 -10.213 -5.156 4.483 265 HA GLU 46 HA GLU 46 -11.190 -4.185 2.009 266 1HB GLU 46 1HB GLU 46 -11.728 -2.221 3.189 267 2HB GLU 46 2HB GLU 46 -11.833 -3.457 4.427 268 1HG GLU 46 1HG GLU 46 -9.482 -2.924 5.139 269 2HG GLU 46 2HG GLU 46 -9.410 -1.664 3.923 270 H VAL 47 H VAL 47 -8.117 -4.040 3.845 271 HA VAL 47 HA VAL 47 -6.929 -2.042 2.245 272 HB VAL 47 HB VAL 47 -6.362 -3.439 4.581 273 1HG1 VAL 47 1HG1 VAL 47 -4.177 -4.404 4.329 274 2HG1 VAL 47 2HG1 VAL 47 -5.255 -5.174 3.141 275 3HG1 VAL 47 3HG1 VAL 47 -4.101 -3.924 2.617 276 1HG2 VAL 47 1HG2 VAL 47 -4.313 -1.926 4.604 277 2HG2 VAL 47 2HG2 VAL 47 -4.806 -1.395 2.978 278 3HG2 VAL 47 3HG2 VAL 47 -5.884 -1.124 4.369 279 H ASN 48 H ASN 48 -7.565 -5.470 1.830 280 HA ASN 48 HA ASN 48 -5.503 -5.846 -0.075 281 1HB ASN 48 1HB ASN 48 -6.246 -7.822 1.076 282 2HB ASN 48 2HB ASN 48 -7.938 -7.445 0.816 283 1HD2 ASN 48 1HD2 ASN 48 -5.540 -9.435 -0.073 284 2HD2 ASN 48 2HD2 ASN 48 -6.019 -9.882 -1.676 285 H LYS 49 H LYS 49 -9.146 -5.654 -0.149 286 HA LYS 49 HA LYS 49 -9.386 -5.714 -2.923 287 1HB LYS 49 1HB LYS 49 -11.112 -5.061 -0.601 288 2HB LYS 49 2HB LYS 49 -11.606 -4.364 -2.131 289 1HG LYS 49 1HG LYS 49 -11.930 -6.462 -3.149 290 2HG LYS 49 2HG LYS 49 -10.799 -7.275 -2.084 291 1HD LYS 49 1HD LYS 49 -12.734 -8.030 -1.088 292 2HD LYS 49 2HD LYS 49 -12.615 -6.513 -0.220 293 1HE LYS 49 1HE LYS 49 -14.282 -5.468 -1.534 294 2HE LYS 49 2HE LYS 49 -14.052 -6.560 -2.884 295 1HZ LYS 49 1HZ LYS 49 -15.212 -7.310 -0.290 296 2HZ LYS 49 2HZ LYS 49 -16.052 -7.056 -1.667 297 3HZ LYS 49 3HZ LYS 49 -15.015 -8.313 -1.563 298 H ALA 50 H ALA 50 -8.531 -3.134 -0.650 299 HA ALA 50 HA ALA 50 -9.026 -1.029 -2.515 300 1HB ALA 50 1HB ALA 50 -9.177 -0.453 -0.225 301 2HB ALA 50 2HB ALA 50 -7.654 -1.282 0.175 302 3HB ALA 50 3HB ALA 50 -7.623 0.239 -0.748 303 H LEU 51 H LEU 51 -6.162 -2.907 -1.362 304 HA LEU 51 HA LEU 51 -4.279 -1.445 -2.829 305 1HB LEU 51 1HB LEU 51 -4.350 -4.159 -1.557 306 2HB LEU 51 2HB LEU 51 -2.989 -3.691 -2.557 307 HG LEU 51 HG LEU 51 -3.936 -2.127 -0.141 308 1HD1 LEU 51 1HD1 LEU 51 -2.714 -4.619 -0.110 309 2HD1 LEU 51 2HD1 LEU 51 -1.369 -3.477 0.125 310 3HD1 LEU 51 3HD1 LEU 51 -2.769 -3.442 1.224 311 1HD2 LEU 51 1HD2 LEU 51 -1.179 -1.730 -0.867 312 2HD2 LEU 51 2HD2 LEU 51 -2.230 -1.406 -2.266 313 3HD2 LEU 51 3HD2 LEU 51 -2.499 -0.544 -0.732 314 H TYR 52 H TYR 52 -6.287 -4.334 -3.599 315 HA TYR 52 HA TYR 52 -5.070 -4.876 -6.067 316 1HB TYR 52 1HB TYR 52 -7.794 -5.309 -4.725 317 2HB TYR 52 2HB TYR 52 -7.524 -5.900 -6.352 318 HD1 TYR 52 1HD TYR 52 -5.136 -5.888 -3.473 319 HD2 TYR 52 2HD TYR 52 -7.554 -8.235 -6.109 320 HE1 TYR 52 1HE TYR 52 -4.107 -8.015 -2.535 321 HE2 TYR 52 2HE TYR 52 -6.517 -10.354 -5.161 322 HH TYR 52 HH TYR 52 -5.386 -11.144 -3.344 323 H ASP 53 H ASP 53 -7.905 -2.836 -5.132 324 HA ASP 53 HA ASP 53 -8.701 -2.281 -7.715 325 1HB ASP 53 1HB ASP 53 -9.638 -1.698 -5.218 326 2HB ASP 53 2HB ASP 53 -8.955 -0.137 -5.628 327 H LEU 54 H LEU 54 -6.570 -0.488 -5.371 328 HA LEU 54 HA LEU 54 -6.012 1.678 -7.021 329 1HB LEU 54 1HB LEU 54 -4.646 0.404 -4.673 330 2HB LEU 54 2HB LEU 54 -3.888 1.735 -5.524 331 HG LEU 54 HG LEU 54 -6.462 1.733 -3.956 332 1HD1 LEU 54 1HD1 LEU 54 -5.057 3.955 -3.242 333 2HD1 LEU 54 2HD1 LEU 54 -4.966 2.381 -2.414 334 3HD1 LEU 54 3HD1 LEU 54 -3.742 2.820 -3.630 335 1HD2 LEU 54 1HD2 LEU 54 -6.609 4.190 -4.733 336 2HD2 LEU 54 2HD2 LEU 54 -5.600 3.661 -6.101 337 3HD2 LEU 54 3HD2 LEU 54 -7.191 2.912 -5.826 338 H GLN 55 H GLN 55 -4.386 -1.522 -6.640 339 HA GLN 55 HA GLN 55 -2.211 -1.024 -8.197 340 1HB GLN 55 1HB GLN 55 -3.020 -3.152 -6.819 341 2HB GLN 55 2HB GLN 55 -3.612 -3.694 -8.377 342 1HG GLN 55 1HG GLN 55 -0.755 -2.702 -8.013 343 2HG GLN 55 2HG GLN 55 -1.192 -4.372 -7.712 344 1HE2 GLN 55 1HE2 GLN 55 -0.931 -1.826 -10.085 345 2HE2 GLN 55 2HE2 GLN 55 -0.988 -2.807 -11.512 346 H ARG 56 H ARG 56 -5.433 -2.356 -9.227 347 HA ARG 56 HA ARG 56 -4.720 -2.435 -11.918 348 1HB ARG 56 1HB ARG 56 -7.246 -2.684 -10.312 349 2HB ARG 56 2HB ARG 56 -7.456 -2.293 -12.007 350 1HG ARG 56 1HG ARG 56 -7.469 -4.678 -11.936 351 2HG ARG 56 2HG ARG 56 -5.873 -4.263 -12.530 352 1HD ARG 56 1HD ARG 56 -4.975 -5.457 -10.820 353 2HD ARG 56 2HD ARG 56 -5.617 -4.272 -9.700 354 HE ARG 56 HE ARG 56 -7.803 -5.899 -10.239 355 1HH1 ARG 56 2HH2 ARG 56 -4.528 -6.483 -9.092 356 2HH1 ARG 56 1HH2 ARG 56 -4.964 -7.884 -8.171 357 1HH2 ARG 56 2HH1 ARG 56 -8.378 -7.747 -9.025 358 2HH2 ARG 56 1HH1 ARG 56 -7.169 -8.608 -8.133 359 H SER 57 H SER 57 -5.644 0.145 -9.767 360 HA SER 57 HA SER 57 -6.751 1.789 -11.813 361 1HB SER 57 1HB SER 57 -7.573 2.049 -9.539 362 2HB SER 57 2HB SER 57 -5.954 2.310 -8.920 363 HG SER 57 HG SER 57 -7.085 4.322 -9.156 364 H ALA 58 H ALA 58 -3.598 1.147 -10.329 365 HA ALA 58 HA ALA 58 -1.574 1.687 -11.148 366 1HB ALA 58 1HB ALA 58 -1.320 2.721 -13.178 367 2HB ALA 58 2HB ALA 58 -3.061 2.369 -13.297 368 3HB ALA 58 3HB ALA 58 -2.512 3.989 -12.804 369 H MET 59 H MET 59 -3.063 2.735 -8.814 370 HA MET 59 HA MET 59 -2.025 5.432 -8.642 371 1HB MET 59 1HB MET 59 -3.681 3.839 -6.611 372 2HB MET 59 2HB MET 59 -3.434 5.574 -6.611 373 1HG MET 59 1HG MET 59 -4.463 4.917 -9.202 374 2HG MET 59 2HG MET 59 -5.432 4.019 -8.051 375 1HE MET 59 1HE MET 59 -5.254 8.394 -8.922 376 2HE MET 59 2HE MET 59 -3.878 7.971 -7.876 377 3HE MET 59 3HE MET 59 -4.128 7.104 -9.410 378 H VAL 60 H VAL 60 -1.183 2.186 -7.840 379 HA VAL 60 HA VAL 60 1.004 3.188 -6.206 380 HB VAL 60 HB VAL 60 -0.504 0.772 -5.273 381 1HG1 VAL 60 1HG1 VAL 60 0.421 1.641 -3.054 382 2HG1 VAL 60 2HG1 VAL 60 1.606 1.027 -4.232 383 3HG1 VAL 60 3HG1 VAL 60 1.384 2.781 -4.024 384 1HG2 VAL 60 1HG2 VAL 60 -1.136 3.598 -4.364 385 2HG2 VAL 60 2HG2 VAL 60 -2.147 2.652 -5.481 386 3HG2 VAL 60 3HG2 VAL 60 -1.897 2.087 -3.811 387 H TYR 61 H TYR 61 2.647 1.320 -5.846 388 HA TYR 61 HA TYR 61 2.567 -0.480 -8.169 389 1HB TYR 61 1HB TYR 61 4.479 1.638 -7.224 390 2HB TYR 61 2HB TYR 61 5.262 0.118 -7.609 391 HD1 TYR 61 1HD TYR 61 6.394 0.466 -9.621 392 HD2 TYR 61 2HD TYR 61 2.345 1.800 -9.258 393 HE1 TYR 61 1HE TYR 61 6.369 1.084 -12.087 394 HE2 TYR 61 2HE TYR 61 2.334 2.414 -11.725 395 HH TYR 61 HH TYR 61 3.428 1.957 -13.696 396 H SER 62 H SER 62 4.841 -1.940 -7.762 397 HA SER 62 HA SER 62 4.543 -2.894 -5.024 398 1HB SER 62 1HB SER 62 3.447 -4.288 -6.991 399 2HB SER 62 2HB SER 62 5.092 -4.798 -7.311 400 HG SER 62 HG SER 62 5.242 -5.709 -5.231 401 H SER 63 H SER 63 6.492 -3.911 -4.118 402 HA SER 63 HA SER 63 8.828 -2.653 -5.094 403 1HB SER 63 1HB SER 63 7.941 -3.833 -2.654 404 2HB SER 63 2HB SER 63 9.369 -4.730 -3.131 405 HG SER 63 HG SER 63 9.109 -2.023 -2.348 406 H ASP 64 H ASP 64 7.300 -5.842 -5.363 407 HA ASP 64 HA ASP 64 7.737 -7.546 -6.639 408 1HB ASP 64 1HB ASP 64 9.205 -5.443 -7.929 409 2HB ASP 64 2HB ASP 64 10.249 -6.850 -7.925 410 H ASP 65 H ASP 65 9.160 -6.827 -3.976 411 HA ASP 65 HA ASP 65 11.120 -8.955 -4.169 412 1HB ASP 65 1HB ASP 65 11.524 -6.174 -3.008 413 2HB ASP 65 2HB ASP 65 12.478 -7.527 -2.433 414 H ILE 66 H ILE 66 11.749 -9.642 -1.769 415 HA ILE 66 HA ILE 66 9.275 -9.579 -0.209 416 HB ILE 66 HB ILE 66 9.907 -11.773 -0.783 417 1HG1 ILE 66 1HG1 ILE 66 10.879 -12.494 1.666 418 2HG1 ILE 66 2HG1 ILE 66 10.240 -10.902 2.024 419 1HG2 ILE 66 1HG2 ILE 66 12.151 -11.535 -1.508 420 2HG2 ILE 66 2HG2 ILE 66 12.695 -11.010 0.103 421 3HG2 ILE 66 3HG2 ILE 66 12.174 -12.692 -0.156 422 1HD1 ILE 66 1HD1 ILE 66 8.103 -11.675 0.733 423 2HD1 ILE 66 2HD1 ILE 66 8.767 -13.316 0.923 424 3HD1 ILE 66 3HD1 ILE 66 8.385 -12.339 2.361 425 HA PRO 67 HA PRO 67 8.638 -9.848 1.554 426 1HB PRO 67 1HB PRO 67 7.267 -8.229 3.276 427 2HB PRO 67 2HB PRO 67 8.174 -9.634 3.799 428 1HG PRO 67 1HG PRO 67 8.875 -6.774 4.058 429 2HG PRO 67 2HG PRO 67 9.531 -8.147 4.925 430 1HD PRO 67 1HD PRO 67 10.778 -6.725 2.769 431 2HD PRO 67 2HD PRO 67 11.381 -8.168 3.560 432 HA PRO 68 HA PRO 68 6.372 -7.509 -1.170 433 1HB PRO 68 1HB PRO 68 3.755 -8.120 -0.673 434 2HB PRO 68 2HB PRO 68 4.828 -9.168 -1.580 435 1HG PRO 68 1HG PRO 68 3.853 -9.467 1.195 436 2HG PRO 68 2HG PRO 68 4.558 -10.678 0.142 437 1HD PRO 68 1HD PRO 68 5.852 -9.336 2.323 438 2HD PRO 68 2HD PRO 68 6.589 -10.460 1.198 439 H ARG 69 H ARG 69 6.313 -5.366 -1.321 440 HA ARG 69 HA ARG 69 4.622 -4.112 0.672 441 1HB ARG 69 1HB ARG 69 7.302 -2.923 -0.179 442 2HB ARG 69 2HB ARG 69 6.266 -2.377 1.125 443 1HG ARG 69 1HG ARG 69 6.632 -4.612 2.277 444 2HG ARG 69 2HG ARG 69 7.771 -5.033 1.014 445 1HD ARG 69 1HD ARG 69 9.403 -3.597 1.808 446 2HD ARG 69 2HD ARG 69 8.246 -2.378 2.304 447 HE ARG 69 HE ARG 69 8.184 -4.852 3.906 448 1HH1 ARG 69 2HH2 ARG 69 9.499 -1.604 3.580 449 2HH1 ARG 69 1HH2 ARG 69 9.909 -1.464 5.258 450 1HH2 ARG 69 2HH1 ARG 69 8.724 -4.668 6.118 451 2HH2 ARG 69 1HH1 ARG 69 9.465 -3.219 6.711 452 H TRP 70 H TRP 70 3.488 -2.247 -0.106 453 HA TRP 70 HA TRP 70 3.517 -2.001 -2.999 454 1HB TRP 70 1HB TRP 70 1.663 -0.731 -0.980 455 2HB TRP 70 2HB TRP 70 1.451 -0.788 -2.719 456 HD1 TRP 70 HD TRP 70 1.706 -3.379 0.203 457 HE1 TRP 70 1HE TRP 70 0.148 -5.456 -0.269 458 HE3 TRP 70 3HE TRP 70 0.158 -1.838 -4.388 459 HZ2 TRP 70 2HZ TRP 70 -1.520 -6.204 -2.460 460 HZ3 TRP 70 3HZ TRP 70 -1.435 -3.300 -5.628 461 HH2 TRP 70 HH TRP 70 -2.272 -5.416 -4.735 462 H PHE 71 H PHE 71 4.481 -0.298 -4.052 463 HA PHE 71 HA PHE 71 5.410 1.904 -2.346 464 1HB PHE 71 1HB PHE 71 6.539 0.287 -4.653 465 2HB PHE 71 2HB PHE 71 7.000 1.976 -4.580 466 HD1 PHE 71 1HD PHE 71 6.384 0.456 -1.380 467 HD2 PHE 71 2HD PHE 71 9.338 1.061 -4.366 468 HE1 PHE 71 1HE PHE 71 8.179 -0.105 0.282 469 HE2 PHE 71 2HE PHE 71 11.133 0.499 -2.704 470 HZ PHE 71 HZ PHE 71 10.532 -0.077 -0.400 471 H MET 72 H MET 72 6.205 3.704 -4.317 472 HA MET 72 HA MET 72 3.662 4.204 -5.664 473 1HB MET 72 1HB MET 72 4.333 5.773 -3.741 474 2HB MET 72 2HB MET 72 5.732 6.247 -4.684 475 1HG MET 72 1HG MET 72 4.362 7.881 -5.520 476 2HG MET 72 2HG MET 72 3.727 6.609 -6.545 477 1HE MET 72 1HE MET 72 1.584 7.066 -7.003 478 2HE MET 72 2HE MET 72 0.226 7.423 -5.909 479 3HE MET 72 3HE MET 72 1.431 8.681 -6.272 480 H THR 73 H THR 73 3.948 3.661 -7.798 481 HA THR 73 HA THR 73 5.030 3.323 -9.750 482 HB THR 73 HB THR 73 4.054 5.557 -10.003 483 HG1 THR 73 1HG THR 73 5.833 4.647 -11.483 484 1HG2 THR 73 1HG2 THR 73 5.399 7.591 -9.511 485 2HG2 THR 73 2HG2 THR 73 5.118 6.670 -8.013 486 3HG2 THR 73 3HG2 THR 73 6.696 6.579 -8.832 487 H THR 74 H THR 74 6.618 1.951 -8.372 488 HA THR 74 HA THR 74 9.182 2.422 -9.418 489 HB THR 74 HB THR 74 9.111 4.208 -7.603 490 HG1 THR 74 1HG THR 74 11.039 2.872 -8.355 491 1HG2 THR 74 1HG2 THR 74 8.399 1.794 -5.995 492 2HG2 THR 74 2HG2 THR 74 9.715 2.781 -5.314 493 3HG2 THR 74 3HG2 THR 74 8.124 3.515 -5.631 Start of MODEL 7 1 H ARG 13 H ARG 13 -10.757 9.399 -3.316 2 HA ARG 13 HA ARG 13 -10.015 11.752 -1.836 3 1HB ARG 13 1HB ARG 13 -12.527 11.480 -3.522 4 2HB ARG 13 2HB ARG 13 -12.568 12.455 -2.067 5 1HG ARG 13 1HG ARG 13 -10.729 12.835 -4.472 6 2HG ARG 13 2HG ARG 13 -12.022 13.901 -3.960 7 1HD ARG 13 1HD ARG 13 -10.435 13.703 -1.657 8 2HD ARG 13 2HD ARG 13 -9.249 13.698 -2.947 9 HE ARG 13 HE ARG 13 -9.783 15.930 -3.424 10 1HH1 ARG 13 2HH2 ARG 13 -12.322 14.530 -1.428 11 2HH1 ARG 13 1HH2 ARG 13 -13.136 16.039 -1.182 12 1HH2 ARG 13 2HH1 ARG 13 -10.858 17.920 -3.099 13 2HH2 ARG 13 1HH1 ARG 13 -12.298 17.980 -2.139 14 H SER 14 H SER 14 -9.645 9.821 -0.337 15 HA SER 14 HA SER 14 -11.588 9.675 1.551 16 1HB SER 14 1HB SER 14 -13.061 8.425 0.144 17 2HB SER 14 2HB SER 14 -11.764 7.420 -0.473 18 HG SER 14 HG SER 14 -11.592 6.384 1.577 19 H ASN 15 H ASN 15 -9.932 6.768 0.170 20 HA ASN 15 HA ASN 15 -8.169 6.885 2.487 21 1HB ASN 15 1HB ASN 15 -9.845 4.864 1.975 22 2HB ASN 15 2HB ASN 15 -8.612 4.379 0.828 23 1HD2 ASN 15 1HD2 ASN 15 -9.024 5.447 4.193 24 2HD2 ASN 15 2HD2 ASN 15 -7.822 4.421 4.902 25 H ALA 16 H ALA 16 -8.456 5.910 -1.007 26 HA ALA 16 HA ALA 16 -5.951 5.233 -1.652 27 1HB ALA 16 1HB ALA 16 -8.222 5.829 -3.021 28 2HB ALA 16 2HB ALA 16 -7.206 7.214 -3.489 29 3HB ALA 16 3HB ALA 16 -6.647 5.553 -3.803 30 H GLU 17 H GLU 17 -7.175 8.646 -1.422 31 HA GLU 17 HA GLU 17 -4.726 9.791 -2.021 32 1HB GLU 17 1HB GLU 17 -5.718 11.867 -1.275 33 2HB GLU 17 2HB GLU 17 -6.974 10.934 -2.064 34 1HG GLU 17 1HG GLU 17 -7.792 10.139 0.157 35 2HG GLU 17 2HG GLU 17 -6.523 11.044 0.956 36 H ILE 18 H ILE 18 -6.229 8.768 1.084 37 HA ILE 18 HA ILE 18 -4.255 9.923 2.727 38 HB ILE 18 HB ILE 18 -6.372 7.829 3.079 39 1HG1 ILE 18 1HG1 ILE 18 -5.943 10.623 4.172 40 2HG1 ILE 18 2HG1 ILE 18 -7.126 10.127 2.977 41 1HG2 ILE 18 1HG2 ILE 18 -5.467 8.424 5.637 42 2HG2 ILE 18 2HG2 ILE 18 -5.241 6.896 4.754 43 3HG2 ILE 18 3HG2 ILE 18 -3.977 8.148 4.703 44 1HD1 ILE 18 1HD1 ILE 18 -8.564 9.784 4.696 45 2HD1 ILE 18 2HD1 ILE 18 -7.572 8.373 5.137 46 3HD1 ILE 18 3HD1 ILE 18 -7.261 9.952 5.897 47 H VAL 19 H VAL 19 -4.571 6.805 1.002 48 HA VAL 19 HA VAL 19 -2.404 5.565 2.319 49 HB VAL 19 HB VAL 19 -3.333 4.932 -0.468 50 1HG1 VAL 19 1HG1 VAL 19 -2.765 2.985 1.762 51 2HG1 VAL 19 2HG1 VAL 19 -2.682 2.741 0.001 52 3HG1 VAL 19 3HG1 VAL 19 -1.437 3.710 0.825 53 1HG2 VAL 19 1HG2 VAL 19 -4.937 3.422 1.246 54 2HG2 VAL 19 2HG2 VAL 19 -4.993 5.067 1.923 55 3HG2 VAL 19 3HG2 VAL 19 -5.454 4.787 0.227 56 H CYS 20 H CYS 20 -2.741 7.775 -0.457 57 HA CYS 20 HA CYS 20 -0.098 7.331 -1.389 58 1HB CYS 20 1HB CYS 20 -2.350 8.477 -2.463 59 2HB CYS 20 2HB CYS 20 -1.389 9.894 -2.092 60 HG CYS 20 HG CYS 20 0.155 9.731 -3.877 61 H GLU 21 H GLU 21 -1.781 9.534 0.881 62 HA GLU 21 HA GLU 21 0.354 11.328 1.136 63 1HB GLU 21 1HB GLU 21 -2.214 11.479 1.824 64 2HB GLU 21 2HB GLU 21 -1.637 10.857 3.358 65 1HG GLU 21 1HG GLU 21 -1.371 13.128 3.760 66 2HG GLU 21 2HG GLU 21 0.207 12.781 3.080 67 H ALA 22 H ALA 22 -0.493 8.221 2.649 68 HA ALA 22 HA ALA 22 1.326 8.493 4.821 69 1HB ALA 22 1HB ALA 22 -0.816 6.936 4.354 70 2HB ALA 22 2HB ALA 22 0.456 5.813 3.815 71 3HB ALA 22 3HB ALA 22 0.483 6.458 5.474 72 H ILE 23 H ILE 23 1.340 6.460 1.800 73 HA ILE 23 HA ILE 23 3.852 5.443 2.044 74 HB ILE 23 HB ILE 23 2.212 4.777 0.374 75 1HG1 ILE 23 1HG1 ILE 23 4.816 4.517 0.160 76 2HG1 ILE 23 2HG1 ILE 23 3.754 4.036 -1.149 77 1HG2 ILE 23 1HG2 ILE 23 2.933 7.288 -1.154 78 2HG2 ILE 23 2HG2 ILE 23 1.741 6.043 -1.598 79 3HG2 ILE 23 3HG2 ILE 23 1.449 7.093 -0.191 80 1HD1 ILE 23 1HD1 ILE 23 5.691 5.403 -1.947 81 2HD1 ILE 23 2HD1 ILE 23 4.131 6.178 -2.308 82 3HD1 ILE 23 3HD1 ILE 23 5.120 6.760 -0.947 83 H LYS 24 H LYS 24 2.863 8.656 0.731 84 HA LYS 24 HA LYS 24 5.425 9.417 -0.088 85 1HB LYS 24 1HB LYS 24 3.233 10.450 -0.761 86 2HB LYS 24 2HB LYS 24 3.155 11.210 0.816 87 1HG LYS 24 1HG LYS 24 5.787 11.684 -0.300 88 2HG LYS 24 2HG LYS 24 4.590 12.101 -1.509 89 1HD LYS 24 1HD LYS 24 3.374 13.459 0.288 90 2HD LYS 24 2HD LYS 24 4.739 13.165 1.348 91 1HE LYS 24 1HE LYS 24 5.398 15.197 0.419 92 2HE LYS 24 2HE LYS 24 6.157 14.098 -0.715 93 1HZ LYS 24 1HZ LYS 24 4.035 14.289 -2.012 94 2HZ LYS 24 2HZ LYS 24 3.639 15.551 -1.054 95 3HZ LYS 24 3HZ LYS 24 4.979 15.621 -1.986 96 H THR 25 H THR 25 3.600 10.071 2.981 97 HA THR 25 HA THR 25 5.569 11.540 4.246 98 HB THR 25 HB THR 25 3.263 9.763 5.098 99 HG1 THR 25 1HG THR 25 3.182 12.054 4.245 100 1HG2 THR 25 1HG2 THR 25 3.946 11.244 7.356 101 2HG2 THR 25 2HG2 THR 25 4.233 9.497 7.170 102 3HG2 THR 25 3HG2 THR 25 5.532 10.657 6.799 103 H ILE 26 H ILE 26 5.459 8.100 3.514 104 HA ILE 26 HA ILE 26 7.445 7.443 5.475 105 HB ILE 26 HB ILE 26 6.235 5.915 3.170 106 1HG1 ILE 26 1HG1 ILE 26 5.780 5.583 6.145 107 2HG1 ILE 26 2HG1 ILE 26 4.758 6.571 5.120 108 1HG2 ILE 26 1HG2 ILE 26 7.603 4.413 5.304 109 2HG2 ILE 26 2HG2 ILE 26 7.578 4.157 3.542 110 3HG2 ILE 26 3HG2 ILE 26 8.677 5.365 4.250 111 1HD1 ILE 26 1HD1 ILE 26 3.646 4.492 5.108 112 2HD1 ILE 26 2HD1 ILE 26 4.593 4.429 3.602 113 3HD1 ILE 26 3HD1 ILE 26 5.167 3.570 5.052 114 H GLY 27 H GLY 27 7.921 6.216 2.216 115 1HA GLY 27 1HA GLY 27 9.521 7.886 0.908 116 2HA GLY 27 2HA GLY 27 10.591 7.381 2.201 117 H ILE 28 H ILE 28 10.959 4.991 2.512 118 HA ILE 28 HA ILE 28 10.717 3.617 -0.074 119 HB ILE 28 HB ILE 28 12.823 2.809 0.111 120 1HG1 ILE 28 1HG1 ILE 28 12.734 3.160 3.123 121 2HG1 ILE 28 2HG1 ILE 28 12.434 1.662 2.265 122 1HG2 ILE 28 1HG2 ILE 28 14.348 4.575 0.953 123 2HG2 ILE 28 2HG2 ILE 28 13.039 5.203 -0.077 124 3HG2 ILE 28 3HG2 ILE 28 12.949 5.391 1.691 125 1HD1 ILE 28 1HD1 ILE 28 14.972 2.840 3.013 126 2HD1 ILE 28 2HD1 ILE 28 14.658 1.249 2.279 127 3HD1 ILE 28 3HD1 ILE 28 14.901 2.675 1.242 128 H GLU 29 H GLU 29 9.993 3.656 3.346 129 HA GLU 29 HA GLU 29 9.718 0.925 3.737 130 1HB GLU 29 1HB GLU 29 9.276 3.332 5.209 131 2HB GLU 29 2HB GLU 29 7.779 2.425 5.292 132 1HG GLU 29 1HG GLU 29 8.810 0.551 6.322 133 2HG GLU 29 2HG GLU 29 10.411 0.998 5.765 134 H GLY 30 H GLY 30 8.005 3.025 1.671 135 1HA GLY 30 1HA GLY 30 5.928 2.979 0.739 136 2HA GLY 30 2HA GLY 30 6.377 1.309 0.460 137 H ALA 31 H ALA 31 4.109 0.688 0.591 138 HA ALA 31 HA ALA 31 3.128 0.682 3.364 139 1HB ALA 31 1HB ALA 31 1.936 1.708 0.956 140 2HB ALA 31 2HB ALA 31 0.988 0.307 1.509 141 3HB ALA 31 3HB ALA 31 1.267 1.681 2.605 142 H THR 32 H THR 32 4.185 -1.324 3.825 143 HA THR 32 HA THR 32 3.660 -3.576 2.096 144 HB THR 32 HB THR 32 5.783 -2.906 3.604 145 HG1 THR 32 1HG THR 32 6.187 -5.237 3.481 146 1HG2 THR 32 1HG2 THR 32 5.774 -4.381 5.652 147 2HG2 THR 32 2HG2 THR 32 4.643 -3.015 5.804 148 3HG2 THR 32 3HG2 THR 32 4.028 -4.641 5.422 149 H ALA 33 H ALA 33 3.093 -5.716 3.506 150 HA ALA 33 HA ALA 33 0.373 -5.523 3.972 151 1HB ALA 33 1HB ALA 33 0.601 -7.761 4.002 152 2HB ALA 33 2HB ALA 33 2.356 -7.515 3.832 153 3HB ALA 33 3HB ALA 33 1.635 -7.695 5.449 154 H ALA 34 H ALA 34 2.747 -6.431 6.557 155 HA ALA 34 HA ALA 34 1.241 -5.970 8.711 156 1HB ALA 34 1HB ALA 34 3.657 -4.968 9.552 157 2HB ALA 34 2HB ALA 34 3.286 -6.700 9.376 158 3HB ALA 34 3HB ALA 34 4.128 -5.833 8.069 159 H GLN 35 H GLN 35 3.073 -3.448 6.866 160 HA GLN 35 HA GLN 35 2.758 -1.305 8.360 161 1HB GLN 35 1HB GLN 35 2.978 -1.835 5.515 162 2HB GLN 35 2HB GLN 35 1.934 -0.449 5.760 163 1HG GLN 35 1HG GLN 35 4.490 -0.581 7.356 164 2HG GLN 35 2HG GLN 35 4.612 -0.201 5.650 165 1HE2 GLN 35 1HE2 GLN 35 2.719 0.633 8.544 166 2HE2 GLN 35 2HE2 GLN 35 2.578 2.332 8.236 167 H LEU 36 H LEU 36 0.297 -1.786 5.739 168 HA LEU 36 HA LEU 36 -1.601 -0.141 6.772 169 1HB LEU 36 1HB LEU 36 -1.713 -2.576 5.031 170 2HB LEU 36 2HB LEU 36 -3.200 -1.798 5.536 171 HG LEU 36 HG LEU 36 -2.296 0.358 4.565 172 1HD1 LEU 36 1HD1 LEU 36 0.040 -0.026 4.486 173 2HD1 LEU 36 2HD1 LEU 36 -0.161 -1.526 3.549 174 3HD1 LEU 36 3HD1 LEU 36 -0.517 0.047 2.797 175 1HD2 LEU 36 1HD2 LEU 36 -2.685 -1.948 2.637 176 2HD2 LEU 36 2HD2 LEU 36 -3.982 -1.027 3.435 177 3HD2 LEU 36 3HD2 LEU 36 -2.897 -0.217 2.279 178 H THR 37 H THR 37 -1.166 -3.676 7.432 179 HA THR 37 HA THR 37 -3.348 -4.057 9.055 180 HB THR 37 HB THR 37 -0.521 -5.224 9.264 181 HG1 THR 37 1HG THR 37 -3.005 -5.880 7.840 182 1HG2 THR 37 1HG2 THR 37 -1.371 -6.786 10.707 183 2HG2 THR 37 2HG2 THR 37 -2.768 -5.705 10.918 184 3HG2 THR 37 3HG2 THR 37 -2.823 -7.002 9.701 185 H ARG 38 H ARG 38 -0.544 -2.063 9.637 186 HA ARG 38 HA ARG 38 -1.066 -2.086 12.467 187 1HB ARG 38 1HB ARG 38 1.221 -1.560 10.798 188 2HB ARG 38 2HB ARG 38 0.879 -0.080 11.672 189 1HG ARG 38 1HG ARG 38 0.693 -1.603 13.793 190 2HG ARG 38 2HG ARG 38 1.472 -2.834 12.818 191 1HD ARG 38 1HD ARG 38 3.469 -1.532 12.552 192 2HD ARG 38 2HD ARG 38 2.674 -0.048 13.041 193 HE ARG 38 HE ARG 38 2.647 -2.112 15.122 194 1HH1 ARG 38 2HH2 ARG 38 4.477 0.546 13.720 195 2HH1 ARG 38 1HH2 ARG 38 5.392 0.844 15.160 196 1HH2 ARG 38 2HH1 ARG 38 3.854 -1.720 17.022 197 2HH2 ARG 38 1HH1 ARG 38 5.036 -0.454 17.051 198 H GLN 39 H GLN 39 -1.312 0.012 9.562 199 HA GLN 39 HA GLN 39 -1.908 2.365 10.889 200 1HB GLN 39 1HB GLN 39 -2.089 1.310 8.127 201 2HB GLN 39 2HB GLN 39 -3.276 2.551 8.476 202 1HG GLN 39 1HG GLN 39 -1.442 3.839 7.774 203 2HG GLN 39 2HG GLN 39 -1.251 3.878 9.515 204 1HE2 GLN 39 1HE2 GLN 39 -0.547 1.506 6.947 205 2HE2 GLN 39 2HE2 GLN 39 1.116 1.234 7.349 206 H LEU 40 H LEU 40 -3.851 -0.497 10.109 207 HA LEU 40 HA LEU 40 -6.219 0.907 11.130 208 1HB LEU 40 1HB LEU 40 -7.274 -1.268 10.013 209 2HB LEU 40 2HB LEU 40 -7.014 0.237 9.153 210 HG LEU 40 HG LEU 40 -4.859 -1.853 9.125 211 1HD1 LEU 40 1HD1 LEU 40 -7.461 -2.493 8.377 212 2HD1 LEU 40 2HD1 LEU 40 -6.650 -2.083 6.846 213 3HD1 LEU 40 3HD1 LEU 40 -5.970 -3.343 7.904 214 1HD2 LEU 40 1HD2 LEU 40 -4.382 0.351 8.186 215 2HD2 LEU 40 2HD2 LEU 40 -4.393 -0.900 6.920 216 3HD2 LEU 40 3HD2 LEU 40 -5.781 0.200 7.095 217 H ASN 41 H ASN 41 -5.002 -2.515 10.944 218 HA ASN 41 HA ASN 41 -4.511 -2.819 13.594 219 1HB ASN 41 1HB ASN 41 -7.345 -2.637 13.122 220 2HB ASN 41 2HB ASN 41 -7.007 -4.319 13.480 221 1HD2 ASN 41 1HD2 ASN 41 -5.569 -1.248 14.571 222 2HD2 ASN 41 2HD2 ASN 41 -5.780 -1.498 16.272 223 H MET 42 H MET 42 -6.524 -4.453 11.023 224 HA MET 42 HA MET 42 -4.568 -6.150 10.168 225 1HB MET 42 1HB MET 42 -5.206 -6.929 12.717 226 2HB MET 42 2HB MET 42 -6.443 -7.816 11.849 227 1HG MET 42 1HG MET 42 -4.523 -8.668 10.309 228 2HG MET 42 2HG MET 42 -3.421 -8.032 11.514 229 1HE MET 42 1HE MET 42 -6.864 -10.206 11.493 230 2HE MET 42 2HE MET 42 -5.611 -10.715 10.335 231 3HE MET 42 3HE MET 42 -6.009 -11.749 11.728 232 H GLU 43 H GLU 43 -6.773 -4.558 9.183 233 HA GLU 43 HA GLU 43 -8.780 -6.463 8.417 234 1HB GLU 43 1HB GLU 43 -8.873 -3.773 8.925 235 2HB GLU 43 2HB GLU 43 -8.744 -3.747 7.178 236 1HG GLU 43 1HG GLU 43 -10.876 -4.507 6.903 237 2HG GLU 43 2HG GLU 43 -10.656 -5.793 8.074 238 H LYS 44 H LYS 44 -6.494 -7.503 7.462 239 HA LYS 44 HA LYS 44 -5.409 -6.597 5.137 240 1HB LYS 44 1HB LYS 44 -4.589 -8.520 6.420 241 2HB LYS 44 2HB LYS 44 -5.987 -9.463 5.944 242 1HG LYS 44 1HG LYS 44 -5.280 -8.969 3.488 243 2HG LYS 44 2HG LYS 44 -3.759 -8.410 4.156 244 1HD LYS 44 1HD LYS 44 -4.896 -11.154 4.835 245 2HD LYS 44 2HD LYS 44 -3.892 -10.896 3.421 246 1HE LYS 44 1HE LYS 44 -1.965 -10.560 4.669 247 2HE LYS 44 2HE LYS 44 -2.819 -9.782 5.986 248 1HZ LYS 44 1HZ LYS 44 -1.992 -11.980 6.554 249 2HZ LYS 44 2HZ LYS 44 -3.618 -11.904 6.691 250 3HZ LYS 44 3HZ LYS 44 -2.941 -12.661 5.412 251 H ARG 45 H ARG 45 -8.673 -7.684 5.727 252 HA ARG 45 HA ARG 45 -9.232 -8.525 3.128 253 1HB ARG 45 1HB ARG 45 -11.558 -8.495 3.830 254 2HB ARG 45 2HB ARG 45 -10.613 -9.005 5.215 255 1HG ARG 45 1HG ARG 45 -10.637 -6.650 6.085 256 2HG ARG 45 2HG ARG 45 -11.607 -6.159 4.710 257 1HD ARG 45 1HD ARG 45 -12.776 -8.497 6.063 258 2HD ARG 45 2HD ARG 45 -12.566 -7.158 7.173 259 HE ARG 45 HE ARG 45 -14.345 -7.230 4.822 260 1HH1 ARG 45 2HH2 ARG 45 -12.791 -5.229 7.264 261 2HH1 ARG 45 1HH2 ARG 45 -13.913 -3.921 7.089 262 1HH2 ARG 45 2HH1 ARG 45 -15.825 -5.504 4.591 263 2HH2 ARG 45 1HH1 ARG 45 -15.650 -4.078 5.558 264 H GLU 46 H GLU 46 -9.389 -5.369 4.847 265 HA GLU 46 HA GLU 46 -10.639 -4.101 2.618 266 1HB GLU 46 1HB GLU 46 -10.822 -2.220 3.998 267 2HB GLU 46 2HB GLU 46 -10.828 -3.521 5.172 268 1HG GLU 46 1HG GLU 46 -9.215 -2.133 6.121 269 2HG GLU 46 2HG GLU 46 -8.187 -3.168 5.148 270 H VAL 47 H VAL 47 -7.359 -4.498 3.984 271 HA VAL 47 HA VAL 47 -6.190 -2.524 2.289 272 HB VAL 47 HB VAL 47 -4.243 -3.002 3.380 273 1HG1 VAL 47 1HG1 VAL 47 -5.992 -4.310 5.449 274 2HG1 VAL 47 2HG1 VAL 47 -4.718 -3.083 5.649 275 3HG1 VAL 47 3HG1 VAL 47 -6.295 -2.625 4.963 276 1HG2 VAL 47 1HG2 VAL 47 -3.623 -5.142 2.799 277 2HG2 VAL 47 2HG2 VAL 47 -3.972 -5.368 4.529 278 3HG2 VAL 47 3HG2 VAL 47 -5.173 -5.852 3.308 279 H ASN 48 H ASN 48 -7.090 -5.924 2.040 280 HA ASN 48 HA ASN 48 -5.311 -6.452 -0.097 281 1HB ASN 48 1HB ASN 48 -6.086 -8.314 1.285 282 2HB ASN 48 2HB ASN 48 -7.766 -7.899 1.012 283 1HD2 ASN 48 1HD2 ASN 48 -5.679 -10.158 0.338 284 2HD2 ASN 48 2HD2 ASN 48 -6.096 -10.623 -1.278 285 H LYS 49 H LYS 49 -8.912 -6.015 0.281 286 HA LYS 49 HA LYS 49 -9.507 -6.121 -2.440 287 1HB LYS 49 1HB LYS 49 -10.954 -6.113 -0.160 288 2HB LYS 49 2HB LYS 49 -11.202 -4.451 -0.656 289 1HG LYS 49 1HG LYS 49 -11.870 -5.294 -2.957 290 2HG LYS 49 2HG LYS 49 -11.745 -6.933 -2.351 291 1HD LYS 49 1HD LYS 49 -13.348 -5.708 -0.422 292 2HD LYS 49 2HD LYS 49 -13.866 -4.914 -1.895 293 1HE LYS 49 1HE LYS 49 -14.395 -7.045 -2.957 294 2HE LYS 49 2HE LYS 49 -13.631 -7.947 -1.664 295 1HZ LYS 49 1HZ LYS 49 -16.241 -6.978 -1.787 296 2HZ LYS 49 2HZ LYS 49 -15.563 -7.928 -0.644 297 3HZ LYS 49 3HZ LYS 49 -15.503 -6.302 -0.496 298 H ALA 50 H ALA 50 -8.328 -3.507 -0.324 299 HA ALA 50 HA ALA 50 -8.862 -1.453 -2.232 300 1HB ALA 50 1HB ALA 50 -7.053 -1.527 0.217 301 2HB ALA 50 2HB ALA 50 -7.569 -0.065 -0.657 302 3HB ALA 50 3HB ALA 50 -8.769 -1.056 0.207 303 H LEU 51 H LEU 51 -6.087 -3.551 -1.325 304 HA LEU 51 HA LEU 51 -4.190 -2.204 -2.892 305 1HB LEU 51 1HB LEU 51 -4.415 -4.771 -1.449 306 2HB LEU 51 2HB LEU 51 -3.267 -4.751 -2.773 307 HG LEU 51 HG LEU 51 -1.965 -3.038 -1.774 308 1HD1 LEU 51 1HD1 LEU 51 -4.381 -2.115 -0.719 309 2HD1 LEU 51 2HD1 LEU 51 -3.400 -2.556 0.699 310 3HD1 LEU 51 3HD1 LEU 51 -2.765 -1.404 -0.499 311 1HD2 LEU 51 1HD2 LEU 51 -2.824 -4.843 0.502 312 2HD2 LEU 51 2HD2 LEU 51 -1.740 -5.332 -0.823 313 3HD2 LEU 51 3HD2 LEU 51 -1.254 -4.031 0.291 314 H TYR 52 H TYR 52 -6.513 -4.868 -3.565 315 HA TYR 52 HA TYR 52 -5.520 -5.458 -6.127 316 1HB TYR 52 1HB TYR 52 -6.995 -7.053 -5.122 317 2HB TYR 52 2HB TYR 52 -8.021 -5.807 -4.440 318 HD1 TYR 52 1HD TYR 52 -9.806 -4.767 -5.779 319 HD2 TYR 52 2HD TYR 52 -7.350 -7.879 -7.390 320 HE1 TYR 52 1HE TYR 52 -11.468 -5.110 -7.672 321 HE2 TYR 52 2HE TYR 52 -9.021 -8.211 -9.277 322 HH TYR 52 HH TYR 52 -11.921 -7.478 -9.263 323 H ASP 53 H ASP 53 -8.290 -3.388 -5.013 324 HA ASP 53 HA ASP 53 -9.120 -2.652 -7.514 325 1HB ASP 53 1HB ASP 53 -9.580 -1.867 -4.771 326 2HB ASP 53 2HB ASP 53 -9.390 -0.405 -5.718 327 H LEU 54 H LEU 54 -6.991 -0.846 -5.158 328 HA LEU 54 HA LEU 54 -6.349 1.263 -6.811 329 1HB LEU 54 1HB LEU 54 -5.108 -0.036 -4.431 330 2HB LEU 54 2HB LEU 54 -4.159 1.139 -5.320 331 HG LEU 54 HG LEU 54 -6.835 1.599 -3.979 332 1HD1 LEU 54 1HD1 LEU 54 -5.742 2.640 -2.288 333 2HD1 LEU 54 2HD1 LEU 54 -4.446 1.521 -2.773 334 3HD1 LEU 54 3HD1 LEU 54 -4.420 3.209 -3.336 335 1HD2 LEU 54 1HD2 LEU 54 -7.212 3.250 -5.413 336 2HD2 LEU 54 2HD2 LEU 54 -5.760 4.065 -4.783 337 3HD2 LEU 54 3HD2 LEU 54 -5.637 2.999 -6.203 338 H GLN 55 H GLN 55 -4.957 -2.037 -6.588 339 HA GLN 55 HA GLN 55 -2.743 -1.531 -8.170 340 1HB GLN 55 1HB GLN 55 -2.918 -3.548 -6.811 341 2HB GLN 55 2HB GLN 55 -4.337 -4.083 -7.689 342 1HG GLN 55 1HG GLN 55 -2.791 -5.307 -8.877 343 2HG GLN 55 2HG GLN 55 -2.636 -3.821 -9.791 344 1HE2 GLN 55 1HE2 GLN 55 -0.789 -6.089 -8.976 345 2HE2 GLN 55 2HE2 GLN 55 0.635 -5.320 -8.358 346 H ARG 56 H ARG 56 -6.081 -2.656 -8.993 347 HA ARG 56 HA ARG 56 -5.513 -2.980 -11.702 348 1HB ARG 56 1HB ARG 56 -7.996 -2.806 -9.999 349 2HB ARG 56 2HB ARG 56 -8.202 -2.601 -11.728 350 1HG ARG 56 1HG ARG 56 -8.463 -4.952 -11.323 351 2HG ARG 56 2HG ARG 56 -6.877 -4.773 -12.048 352 1HD ARG 56 1HD ARG 56 -5.935 -4.673 -9.637 353 2HD ARG 56 2HD ARG 56 -7.521 -5.185 -9.095 354 HE ARG 56 HE ARG 56 -7.068 -7.343 -9.880 355 1HH1 ARG 56 2HH2 ARG 56 -4.810 -5.084 -11.357 356 2HH1 ARG 56 1HH2 ARG 56 -3.854 -6.325 -12.096 357 1HH2 ARG 56 2HH1 ARG 56 -5.808 -8.980 -10.855 358 2HH2 ARG 56 1HH1 ARG 56 -4.425 -8.556 -11.809 359 H SER 57 H SER 57 -6.094 -0.194 -9.681 360 HA SER 57 HA SER 57 -7.080 1.426 -11.815 361 1HB SER 57 1HB SER 57 -7.816 1.821 -9.492 362 2HB SER 57 2HB SER 57 -6.163 2.116 -8.988 363 HG SER 57 HG SER 57 -7.238 4.120 -9.339 364 H ALA 58 H ALA 58 -3.993 0.659 -10.210 365 HA ALA 58 HA ALA 58 -1.920 0.958 -11.027 366 1HB ALA 58 1HB ALA 58 -2.674 3.120 -12.952 367 2HB ALA 58 2HB ALA 58 -1.544 1.759 -13.147 368 3HB ALA 58 3HB ALA 58 -3.298 1.485 -13.278 369 H MET 59 H MET 59 -3.493 2.453 -8.929 370 HA MET 59 HA MET 59 -2.291 5.060 -9.013 371 1HB MET 59 1HB MET 59 -3.885 3.747 -6.749 372 2HB MET 59 2HB MET 59 -3.657 5.465 -7.008 373 1HG MET 59 1HG MET 59 -4.794 4.269 -9.412 374 2HG MET 59 2HG MET 59 -5.762 3.816 -8.023 375 1HE MET 59 1HE MET 59 -4.370 6.130 -10.289 376 2HE MET 59 2HE MET 59 -5.798 7.167 -10.521 377 3HE MET 59 3HE MET 59 -4.423 7.749 -9.552 378 H VAL 60 H VAL 60 -1.500 1.893 -7.885 379 HA VAL 60 HA VAL 60 0.708 3.035 -6.350 380 HB VAL 60 HB VAL 60 -0.618 0.577 -5.313 381 1HG1 VAL 60 1HG1 VAL 60 0.058 1.855 -3.132 382 2HG1 VAL 60 2HG1 VAL 60 1.313 1.076 -4.125 383 3HG1 VAL 60 3HG1 VAL 60 1.055 2.834 -4.235 384 1HG2 VAL 60 1HG2 VAL 60 -2.200 1.840 -3.964 385 2HG2 VAL 60 2HG2 VAL 60 -1.650 3.366 -4.696 386 3HG2 VAL 60 3HG2 VAL 60 -2.494 2.156 -5.691 387 H TYR 61 H TYR 61 2.453 1.310 -5.982 388 HA TYR 61 HA TYR 61 2.417 -0.615 -8.205 389 1HB TYR 61 1HB TYR 61 4.235 1.642 -7.404 390 2HB TYR 61 2HB TYR 61 5.087 0.147 -7.737 391 HD1 TYR 61 1HD TYR 61 6.170 0.501 -9.780 392 HD2 TYR 61 2HD TYR 61 2.041 1.555 -9.402 393 HE1 TYR 61 1HE TYR 61 6.062 0.999 -12.271 394 HE2 TYR 61 2HE TYR 61 1.947 2.050 -11.894 395 HH TYR 61 HH TYR 61 4.621 2.508 -13.741 396 H SER 62 H SER 62 4.790 -1.918 -7.771 397 HA SER 62 HA SER 62 4.576 -2.764 -4.990 398 1HB SER 62 1HB SER 62 3.455 -4.431 -6.407 399 2HB SER 62 2HB SER 62 4.851 -4.528 -7.461 400 HG SER 62 HG SER 62 4.907 -6.286 -5.998 401 H SER 63 H SER 63 6.616 -3.961 -4.236 402 HA SER 63 HA SER 63 8.872 -2.523 -5.295 403 1HB SER 63 1HB SER 63 8.208 -3.959 -2.759 404 2HB SER 63 2HB SER 63 9.893 -4.004 -3.235 405 HG SER 63 HG SER 63 9.593 -2.152 -1.960 406 H ASP 64 H ASP 64 7.288 -5.461 -5.866 407 HA ASP 64 HA ASP 64 7.810 -7.343 -6.811 408 1HB ASP 64 1HB ASP 64 9.905 -5.477 -7.933 409 2HB ASP 64 2HB ASP 64 10.028 -7.183 -8.316 410 H ASP 65 H ASP 65 8.692 -7.163 -4.125 411 HA ASP 65 HA ASP 65 10.754 -9.097 -4.153 412 1HB ASP 65 1HB ASP 65 12.477 -7.921 -3.030 413 2HB ASP 65 2HB ASP 65 11.945 -6.795 -4.263 414 H ILE 66 H ILE 66 11.242 -9.736 -1.724 415 HA ILE 66 HA ILE 66 8.748 -9.397 -0.231 416 HB ILE 66 HB ILE 66 10.794 -11.560 -0.450 417 1HG1 ILE 66 1HG1 ILE 66 7.790 -11.775 -0.209 418 2HG1 ILE 66 2HG1 ILE 66 8.570 -11.416 -1.737 419 1HG2 ILE 66 1HG2 ILE 66 9.198 -12.388 1.645 420 2HG2 ILE 66 2HG2 ILE 66 10.885 -11.835 1.761 421 3HG2 ILE 66 3HG2 ILE 66 9.552 -10.691 2.049 422 1HD1 ILE 66 1HD1 ILE 66 8.095 -13.951 -0.876 423 2HD1 ILE 66 2HD1 ILE 66 9.451 -13.535 -1.952 424 3HD1 ILE 66 3HD1 ILE 66 9.725 -13.711 -0.202 425 HA PRO 67 HA PRO 67 8.048 -9.535 1.519 426 1HB PRO 67 1HB PRO 67 6.814 -7.726 3.153 427 2HB PRO 67 2HB PRO 67 7.559 -9.198 3.743 428 1HG PRO 67 1HG PRO 67 8.546 -6.418 3.929 429 2HG PRO 67 2HG PRO 67 9.037 -7.821 4.857 430 1HD PRO 67 1HD PRO 67 10.472 -6.608 2.690 431 2HD PRO 67 2HD PRO 67 10.904 -8.078 3.540 432 HA PRO 68 HA PRO 68 6.086 -7.067 -1.326 433 1HB PRO 68 1HB PRO 68 3.410 -7.356 -0.850 434 2HB PRO 68 2HB PRO 68 4.368 -8.554 -1.697 435 1HG PRO 68 1HG PRO 68 3.330 -8.628 1.070 436 2HG PRO 68 2HG PRO 68 3.906 -9.953 0.078 437 1HD PRO 68 1HD PRO 68 5.316 -8.679 2.226 438 2HD PRO 68 2HD PRO 68 5.934 -9.924 1.160 439 H ARG 69 H ARG 69 6.600 -4.962 -1.303 440 HA ARG 69 HA ARG 69 5.056 -3.448 0.646 441 1HB ARG 69 1HB ARG 69 7.783 -2.837 -0.601 442 2HB ARG 69 2HB ARG 69 6.920 -1.726 0.443 443 1HG ARG 69 1HG ARG 69 6.848 -3.746 2.140 444 2HG ARG 69 2HG ARG 69 8.126 -4.421 1.149 445 1HD ARG 69 1HD ARG 69 9.683 -2.953 1.957 446 2HD ARG 69 2HD ARG 69 8.610 -1.579 1.779 447 HE ARG 69 HE ARG 69 7.828 -1.896 3.998 448 1HH1 ARG 69 2HH2 ARG 69 9.957 -4.525 3.031 449 2HH1 ARG 69 1HH2 ARG 69 10.135 -5.143 4.639 450 1HH2 ARG 69 2HH1 ARG 69 8.062 -2.710 6.120 451 2HH2 ARG 69 1HH1 ARG 69 9.050 -4.104 6.408 452 H TRP 70 H TRP 70 3.501 -2.123 -0.241 453 HA TRP 70 HA TRP 70 3.435 -1.770 -3.086 454 1HB TRP 70 1HB TRP 70 1.629 -0.705 -0.907 455 2HB TRP 70 2HB TRP 70 1.326 -0.595 -2.630 456 HD1 TRP 70 HD TRP 70 1.695 -3.368 0.087 457 HE1 TRP 70 1HE TRP 70 0.279 -5.498 -0.561 458 HE3 TRP 70 3HE TRP 70 0.231 -1.656 -4.472 459 HZ2 TRP 70 2HZ TRP 70 -1.261 -6.212 -2.856 460 HZ3 TRP 70 3HZ TRP 70 -1.228 -3.132 -5.853 461 HH2 TRP 70 HH TRP 70 -1.972 -5.339 -5.112 462 H PHE 71 H PHE 71 4.397 -0.103 -4.171 463 HA PHE 71 HA PHE 71 5.167 2.227 -2.561 464 1HB PHE 71 1HB PHE 71 6.343 0.677 -4.910 465 2HB PHE 71 2HB PHE 71 6.768 2.368 -4.735 466 HD1 PHE 71 1HD PHE 71 6.176 0.814 -1.585 467 HD2 PHE 71 2HD PHE 71 9.111 1.325 -4.607 468 HE1 PHE 71 1HE PHE 71 7.972 0.193 0.054 469 HE2 PHE 71 2HE PHE 71 10.907 0.704 -2.968 470 HZ PHE 71 HZ PHE 71 10.317 0.145 -0.657 471 H MET 72 H MET 72 5.819 4.005 -4.604 472 HA MET 72 HA MET 72 3.232 4.299 -5.926 473 1HB MET 72 1HB MET 72 3.719 6.795 -5.772 474 2HB MET 72 2HB MET 72 3.550 6.028 -4.205 475 1HG MET 72 1HG MET 72 5.667 6.618 -3.625 476 2HG MET 72 2HG MET 72 6.325 5.830 -5.045 477 1HE MET 72 1HE MET 72 8.057 7.928 -4.444 478 2HE MET 72 2HE MET 72 7.664 9.625 -4.812 479 3HE MET 72 3HE MET 72 6.927 8.826 -3.402 480 H THR 73 H THR 73 3.622 3.548 -8.001 481 HA THR 73 HA THR 73 4.699 3.236 -9.951 482 HB THR 73 HB THR 73 3.502 5.324 -10.355 483 HG1 THR 73 1HG THR 73 5.227 4.644 -11.880 484 1HG2 THR 73 1HG2 THR 73 4.291 6.717 -8.474 485 2HG2 THR 73 2HG2 THR 73 5.960 6.647 -9.091 486 3HG2 THR 73 3HG2 THR 73 4.709 7.524 -10.005 487 H THR 74 H THR 74 6.434 2.068 -8.652 488 HA THR 74 HA THR 74 8.968 3.553 -8.841 489 HB THR 74 HB THR 74 8.314 2.707 -6.576 490 HG1 THR 74 1HG THR 74 10.575 2.694 -7.318 491 1HG2 THR 74 1HG2 THR 74 8.612 -0.068 -7.832 492 2HG2 THR 74 2HG2 THR 74 8.212 0.308 -6.139 493 3HG2 THR 74 3HG2 THR 74 7.034 0.650 -7.428 Start of MODEL 8 1 H ARG 13 H ARG 13 -11.502 10.465 -2.551 2 HA ARG 13 HA ARG 13 -9.652 11.992 -1.324 3 1HB ARG 13 1HB ARG 13 -11.054 13.804 -0.235 4 2HB ARG 13 2HB ARG 13 -10.825 14.035 -1.957 5 1HG ARG 13 1HG ARG 13 -13.236 12.451 -1.096 6 2HG ARG 13 2HG ARG 13 -13.262 14.176 -0.786 7 1HD ARG 13 1HD ARG 13 -12.313 14.077 -3.405 8 2HD ARG 13 2HD ARG 13 -13.426 12.724 -3.372 9 HE ARG 13 HE ARG 13 -14.560 15.117 -2.144 10 1HH1 ARG 13 2HH2 ARG 13 -13.991 13.480 -5.206 11 2HH1 ARG 13 1HH2 ARG 13 -15.295 14.278 -6.021 12 1HH2 ARG 13 2HH1 ARG 13 -16.280 16.170 -3.219 13 2HH2 ARG 13 1HH1 ARG 13 -16.605 15.818 -4.883 14 H SER 14 H SER 14 -10.625 9.396 -1.084 15 HA SER 14 HA SER 14 -12.012 9.512 1.480 16 1HB SER 14 1HB SER 14 -13.536 8.460 -0.010 17 2HB SER 14 2HB SER 14 -12.270 7.572 -0.834 18 HG SER 14 HG SER 14 -12.426 6.993 1.904 19 H ASN 15 H ASN 15 -10.699 6.556 -0.021 20 HA ASN 15 HA ASN 15 -8.826 6.420 2.180 21 1HB ASN 15 1HB ASN 15 -8.584 3.978 1.152 22 2HB ASN 15 2HB ASN 15 -10.004 4.380 2.097 23 1HD2 ASN 15 1HD2 ASN 15 -10.853 2.537 0.864 24 2HD2 ASN 15 2HD2 ASN 15 -11.594 2.817 -0.676 25 H ALA 16 H ALA 16 -9.084 5.895 -1.415 26 HA ALA 16 HA ALA 16 -6.509 5.325 -2.034 27 1HB ALA 16 1HB ALA 16 -7.115 5.845 -4.213 28 2HB ALA 16 2HB ALA 16 -8.719 5.685 -3.457 29 3HB ALA 16 3HB ALA 16 -8.020 7.299 -3.729 30 H GLU 17 H GLU 17 -7.965 8.576 -1.420 31 HA GLU 17 HA GLU 17 -5.687 10.008 -2.066 32 1HB GLU 17 1HB GLU 17 -6.784 11.881 -1.045 33 2HB GLU 17 2HB GLU 17 -8.054 10.891 -1.738 34 1HG GLU 17 1HG GLU 17 -8.962 11.208 0.371 35 2HG GLU 17 2HG GLU 17 -8.037 9.755 0.695 36 H ILE 18 H ILE 18 -6.743 8.377 0.944 37 HA ILE 18 HA ILE 18 -4.616 9.518 2.488 38 HB ILE 18 HB ILE 18 -6.643 7.348 3.012 39 1HG1 ILE 18 1HG1 ILE 18 -7.545 9.625 2.813 40 2HG1 ILE 18 2HG1 ILE 18 -7.707 8.990 4.438 41 1HG2 ILE 18 1HG2 ILE 18 -4.729 6.772 4.321 42 2HG2 ILE 18 2HG2 ILE 18 -4.497 8.460 4.835 43 3HG2 ILE 18 3HG2 ILE 18 -5.915 7.544 5.400 44 1HD1 ILE 18 1HD1 ILE 18 -5.595 10.960 3.456 45 2HD1 ILE 18 2HD1 ILE 18 -6.919 11.286 4.600 46 3HD1 ILE 18 3HD1 ILE 18 -5.578 10.215 5.072 47 H VAL 19 H VAL 19 -5.204 6.608 0.528 48 HA VAL 19 HA VAL 19 -2.983 5.168 1.546 49 HB VAL 19 HB VAL 19 -4.267 4.820 -1.156 50 1HG1 VAL 19 1HG1 VAL 19 -2.620 3.173 0.697 51 2HG1 VAL 19 2HG1 VAL 19 -3.934 2.337 -0.164 52 3HG1 VAL 19 3HG1 VAL 19 -2.674 3.196 -1.082 53 1HG2 VAL 19 1HG2 VAL 19 -6.268 4.522 -0.219 54 2HG2 VAL 19 2HG2 VAL 19 -5.595 3.150 0.692 55 3HG2 VAL 19 3HG2 VAL 19 -5.594 4.779 1.409 56 H CYS 20 H CYS 20 -3.504 7.617 -0.990 57 HA CYS 20 HA CYS 20 -0.921 7.164 -2.139 58 1HB CYS 20 1HB CYS 20 -3.273 8.868 -2.723 59 2HB CYS 20 2HB CYS 20 -1.725 9.577 -3.140 60 HG CYS 20 HG CYS 20 -2.954 8.286 -5.178 61 H GLU 21 H GLU 21 -2.556 9.436 0.128 62 HA GLU 21 HA GLU 21 -0.383 11.188 0.317 63 1HB GLU 21 1HB GLU 21 -2.966 10.743 1.747 64 2HB GLU 21 2HB GLU 21 -1.730 11.575 2.669 65 1HG GLU 21 1HG GLU 21 -1.562 12.833 0.183 66 2HG GLU 21 2HG GLU 21 -3.279 12.511 0.322 67 H ALA 22 H ALA 22 -1.273 8.141 1.920 68 HA ALA 22 HA ALA 22 0.621 8.455 4.040 69 1HB ALA 22 1HB ALA 22 0.043 5.918 4.255 70 2HB ALA 22 2HB ALA 22 -1.234 7.117 4.573 71 3HB ALA 22 3HB ALA 22 -1.187 6.260 3.014 72 H ILE 23 H ILE 23 0.387 6.204 1.187 73 HA ILE 23 HA ILE 23 2.875 5.107 1.400 74 HB ILE 23 HB ILE 23 1.013 4.451 -0.120 75 1HG1 ILE 23 1HG1 ILE 23 3.590 3.823 -0.252 76 2HG1 ILE 23 2HG1 ILE 23 2.425 3.232 -1.420 77 1HG2 ILE 23 1HG2 ILE 23 2.113 6.563 -1.988 78 2HG2 ILE 23 2HG2 ILE 23 0.733 5.472 -2.259 79 3HG2 ILE 23 3HG2 ILE 23 0.625 6.754 -1.030 80 1HD1 ILE 23 1HD1 ILE 23 3.024 4.974 -3.019 81 2HD1 ILE 23 2HD1 ILE 23 4.056 5.781 -1.813 82 3HD1 ILE 23 3HD1 ILE 23 4.521 4.189 -2.460 83 H LYS 24 H LYS 24 1.912 8.278 0.029 84 HA LYS 24 HA LYS 24 4.472 8.833 -1.045 85 1HB LYS 24 1HB LYS 24 2.284 9.843 -1.773 86 2HB LYS 24 2HB LYS 24 2.276 10.781 -0.293 87 1HG LYS 24 1HG LYS 24 4.832 10.903 -1.826 88 2HG LYS 24 2HG LYS 24 3.452 11.598 -2.653 89 1HD LYS 24 1HD LYS 24 3.660 12.353 0.220 90 2HD LYS 24 2HD LYS 24 4.991 12.918 -0.768 91 1HE LYS 24 1HE LYS 24 3.632 14.645 -1.367 92 2HE LYS 24 2HE LYS 24 2.786 13.490 -2.378 93 1HZ LYS 24 1HZ LYS 24 1.956 13.329 0.320 94 2HZ LYS 24 2HZ LYS 24 1.741 14.833 -0.277 95 3HZ LYS 24 3HZ LYS 24 1.059 13.552 -1.026 96 H THR 25 H THR 25 2.755 9.781 2.003 97 HA THR 25 HA THR 25 4.763 11.372 3.051 98 HB THR 25 HB THR 25 2.592 9.601 4.268 99 HG1 THR 25 1HG THR 25 3.058 12.488 4.072 100 1HG2 THR 25 1HG2 THR 25 3.156 11.638 6.089 101 2HG2 THR 25 2HG2 THR 25 3.632 9.935 6.294 102 3HG2 THR 25 3HG2 THR 25 4.782 11.104 5.600 103 H ILE 26 H ILE 26 4.627 7.877 2.659 104 HA ILE 26 HA ILE 26 6.544 7.280 4.646 105 HB ILE 26 HB ILE 26 5.530 5.807 2.220 106 1HG1 ILE 26 1HG1 ILE 26 5.047 5.266 5.160 107 2HG1 ILE 26 2HG1 ILE 26 3.996 6.275 4.186 108 1HG2 ILE 26 1HG2 ILE 26 7.298 4.465 2.348 109 2HG2 ILE 26 2HG2 ILE 26 7.884 5.261 3.829 110 3HG2 ILE 26 3HG2 ILE 26 6.692 3.944 3.939 111 1HD1 ILE 26 1HD1 ILE 26 4.037 3.406 4.365 112 2HD1 ILE 26 2HD1 ILE 26 2.948 4.432 3.400 113 3HD1 ILE 26 3HD1 ILE 26 4.481 3.857 2.701 114 H GLY 27 H GLY 27 7.367 6.164 1.420 115 1HA GLY 27 1HA GLY 27 8.962 7.798 0.189 116 2HA GLY 27 2HA GLY 27 9.920 7.601 1.643 117 H ILE 28 H ILE 28 10.502 5.308 2.309 118 HA ILE 28 HA ILE 28 10.738 3.620 -0.085 119 HB ILE 28 HB ILE 28 12.921 3.201 0.321 120 1HG1 ILE 28 1HG1 ILE 28 12.381 3.746 3.248 121 2HG1 ILE 28 2HG1 ILE 28 12.737 2.207 2.489 122 1HG2 ILE 28 1HG2 ILE 28 12.569 5.657 -0.053 123 2HG2 ILE 28 2HG2 ILE 28 12.742 5.888 1.704 124 3HG2 ILE 28 3HG2 ILE 28 14.097 5.230 0.755 125 1HD1 ILE 28 1HD1 ILE 28 14.657 4.580 2.570 126 2HD1 ILE 28 2HD1 ILE 28 14.727 3.170 3.654 127 3HD1 ILE 28 3HD1 ILE 28 15.011 2.966 1.909 128 H GLU 29 H GLU 29 9.735 3.999 3.238 129 HA GLU 29 HA GLU 29 9.821 1.290 3.934 130 1HB GLU 29 1HB GLU 29 9.704 2.851 5.723 131 2HB GLU 29 2HB GLU 29 8.359 3.718 5.008 132 1HG GLU 29 1HG GLU 29 6.781 2.088 5.642 133 2HG GLU 29 2HG GLU 29 7.973 0.805 5.712 134 H GLY 30 H GLY 30 8.030 2.864 1.563 135 1HA GLY 30 1HA GLY 30 5.999 2.514 0.593 136 2HA GLY 30 2HA GLY 30 6.573 0.859 0.612 137 H ALA 31 H ALA 31 4.364 0.079 0.787 138 HA ALA 31 HA ALA 31 3.397 0.237 3.545 139 1HB ALA 31 1HB ALA 31 1.387 1.108 2.970 140 2HB ALA 31 2HB ALA 31 2.211 1.648 1.488 141 3HB ALA 31 3HB ALA 31 1.283 0.129 1.488 142 H THR 32 H THR 32 4.239 -1.848 3.961 143 HA THR 32 HA THR 32 3.419 -3.994 2.169 144 HB THR 32 HB THR 32 5.759 -3.478 3.490 145 HG1 THR 32 1HG THR 32 4.613 -6.153 3.261 146 1HG2 THR 32 1HG2 THR 32 4.121 -5.395 5.232 147 2HG2 THR 32 2HG2 THR 32 5.894 -5.248 5.297 148 3HG2 THR 32 3HG2 THR 32 4.869 -3.869 5.762 149 H ALA 33 H ALA 33 2.688 -6.098 3.319 150 HA ALA 33 HA ALA 33 0.164 -5.787 4.218 151 1HB ALA 33 1HB ALA 33 0.457 -8.082 5.201 152 2HB ALA 33 2HB ALA 33 1.080 -7.929 3.541 153 3HB ALA 33 3HB ALA 33 2.208 -7.930 4.918 154 H ALA 34 H ALA 34 2.779 -6.784 6.527 155 HA ALA 34 HA ALA 34 1.548 -6.302 8.839 156 1HB ALA 34 1HB ALA 34 3.692 -6.182 9.813 157 2HB ALA 34 2HB ALA 34 3.973 -7.059 8.290 158 3HB ALA 34 3HB ALA 34 4.383 -5.331 8.411 159 H GLN 35 H GLN 35 3.363 -3.775 6.958 160 HA GLN 35 HA GLN 35 3.117 -1.662 8.487 161 1HB GLN 35 1HB GLN 35 3.359 -2.132 5.673 162 2HB GLN 35 2HB GLN 35 2.199 -0.834 5.868 163 1HG GLN 35 1HG GLN 35 4.676 -0.683 7.561 164 2HG GLN 35 2HG GLN 35 4.886 -0.420 5.841 165 1HE2 GLN 35 1HE2 GLN 35 2.904 0.531 8.623 166 2HE2 GLN 35 2HE2 GLN 35 2.618 2.172 8.149 167 H LEU 36 H LEU 36 0.586 -1.958 5.914 168 HA LEU 36 HA LEU 36 -1.248 -0.325 7.049 169 1HB LEU 36 1HB LEU 36 -1.510 -2.736 5.278 170 2HB LEU 36 2HB LEU 36 -2.928 -1.851 5.803 171 HG LEU 36 HG LEU 36 -1.861 0.237 4.829 172 1HD1 LEU 36 1HD1 LEU 36 -0.152 -0.176 3.044 173 2HD1 LEU 36 2HD1 LEU 36 0.436 -0.406 4.708 174 3HD1 LEU 36 3HD1 LEU 36 0.051 -1.819 3.697 175 1HD2 LEU 36 1HD2 LEU 36 -2.619 -0.232 2.593 176 2HD2 LEU 36 2HD2 LEU 36 -2.461 -1.985 2.859 177 3HD2 LEU 36 3HD2 LEU 36 -3.689 -1.056 3.752 178 H THR 37 H THR 37 -0.975 -3.910 7.543 179 HA THR 37 HA THR 37 -3.086 -4.296 9.215 180 HB THR 37 HB THR 37 -0.301 -5.510 9.575 181 HG1 THR 37 1HG THR 37 -0.712 -6.445 7.587 182 1HG2 THR 37 1HG2 THR 37 -2.651 -6.121 10.891 183 2HG2 THR 37 2HG2 THR 37 -2.796 -7.150 9.445 184 3HG2 THR 37 3HG2 THR 37 -1.388 -7.319 10.521 185 H ARG 38 H ARG 38 -0.192 -2.412 9.846 186 HA ARG 38 HA ARG 38 -0.736 -2.455 12.666 187 1HB ARG 38 1HB ARG 38 1.554 -1.884 10.974 188 2HB ARG 38 2HB ARG 38 1.258 -0.488 11.992 189 1HG ARG 38 1HG ARG 38 1.143 -3.192 13.309 190 2HG ARG 38 2HG ARG 38 2.723 -2.607 12.827 191 1HD ARG 38 1HD ARG 38 2.405 -0.534 14.138 192 2HD ARG 38 2HD ARG 38 0.762 -0.999 14.535 193 HE ARG 38 HE ARG 38 2.546 -3.102 15.338 194 1HH1 ARG 38 2HH2 ARG 38 1.615 0.171 16.236 195 2HH1 ARG 38 1HH2 ARG 38 2.025 -0.034 17.907 196 1HH2 ARG 38 2HH1 ARG 38 3.088 -3.372 17.542 197 2HH2 ARG 38 1HH1 ARG 38 2.869 -2.063 18.654 198 H GLN 39 H GLN 39 -0.858 -0.257 9.816 199 HA GLN 39 HA GLN 39 -1.405 2.073 11.173 200 1HB GLN 39 1HB GLN 39 -1.688 1.057 8.397 201 2HB GLN 39 2HB GLN 39 -2.782 2.368 8.793 202 1HG GLN 39 1HG GLN 39 -1.093 3.913 8.924 203 2HG GLN 39 2HG GLN 39 -0.022 2.819 9.777 204 1HE2 GLN 39 1HE2 GLN 39 0.210 0.694 8.137 205 2HE2 GLN 39 2HE2 GLN 39 0.961 1.120 6.635 206 H LEU 40 H LEU 40 -3.438 -0.723 10.403 207 HA LEU 40 HA LEU 40 -5.739 0.735 11.505 208 1HB LEU 40 1HB LEU 40 -6.901 -1.338 10.299 209 2HB LEU 40 2HB LEU 40 -6.607 0.203 9.518 210 HG LEU 40 HG LEU 40 -4.486 -1.896 9.312 211 1HD1 LEU 40 1HD1 LEU 40 -7.066 -2.643 8.762 212 2HD1 LEU 40 2HD1 LEU 40 -6.496 -2.064 7.178 213 3HD1 LEU 40 3HD1 LEU 40 -5.605 -3.348 8.030 214 1HD2 LEU 40 1HD2 LEU 40 -3.793 -0.742 7.476 215 2HD2 LEU 40 2HD2 LEU 40 -5.439 -0.229 7.031 216 3HD2 LEU 40 3HD2 LEU 40 -4.582 0.586 8.362 217 H ASN 41 H ASN 41 -4.710 -2.728 11.104 218 HA ASN 41 HA ASN 41 -4.157 -3.198 13.720 219 1HB ASN 41 1HB ASN 41 -6.996 -2.859 13.332 220 2HB ASN 41 2HB ASN 41 -6.722 -4.566 13.619 221 1HD2 ASN 41 1HD2 ASN 41 -4.909 -1.747 14.782 222 2HD2 ASN 41 2HD2 ASN 41 -5.159 -2.001 16.477 223 H MET 42 H MET 42 -6.325 -4.586 11.129 224 HA MET 42 HA MET 42 -4.479 -6.339 10.138 225 1HB MET 42 1HB MET 42 -4.593 -7.454 12.371 226 2HB MET 42 2HB MET 42 -6.337 -7.570 12.249 227 1HG MET 42 1HG MET 42 -5.168 -8.742 9.865 228 2HG MET 42 2HG MET 42 -4.374 -9.426 11.270 229 1HE MET 42 1HE MET 42 -6.821 -12.285 10.897 230 2HE MET 42 2HE MET 42 -5.530 -11.529 9.933 231 3HE MET 42 3HE MET 42 -5.295 -11.802 11.676 232 H GLU 43 H GLU 43 -6.586 -4.572 9.266 233 HA GLU 43 HA GLU 43 -8.741 -6.284 8.466 234 1HB GLU 43 1HB GLU 43 -8.721 -3.679 9.100 235 2HB GLU 43 2HB GLU 43 -8.386 -3.492 7.390 236 1HG GLU 43 1HG GLU 43 -10.441 -4.509 6.743 237 2HG GLU 43 2HG GLU 43 -10.659 -5.287 8.298 238 H LYS 44 H LYS 44 -6.571 -7.494 7.451 239 HA LYS 44 HA LYS 44 -5.415 -6.647 5.151 240 1HB LYS 44 1HB LYS 44 -4.811 -8.698 6.335 241 2HB LYS 44 2HB LYS 44 -6.323 -9.450 5.870 242 1HG LYS 44 1HG LYS 44 -5.708 -9.269 3.471 243 2HG LYS 44 2HG LYS 44 -4.226 -8.434 3.893 244 1HD LYS 44 1HD LYS 44 -3.825 -10.606 5.417 245 2HD LYS 44 2HD LYS 44 -4.947 -11.341 4.289 246 1HE LYS 44 1HE LYS 44 -3.465 -11.223 2.512 247 2HE LYS 44 2HE LYS 44 -2.771 -9.705 3.045 248 1HZ LYS 44 1HZ LYS 44 -1.141 -11.270 3.428 249 2HZ LYS 44 2HZ LYS 44 -1.797 -11.080 4.912 250 3HZ LYS 44 3HZ LYS 44 -2.170 -12.394 4.017 251 H ARG 45 H ARG 45 -8.783 -7.427 5.711 252 HA ARG 45 HA ARG 45 -9.432 -8.058 3.078 253 1HB ARG 45 1HB ARG 45 -10.797 -7.675 5.606 254 2HB ARG 45 2HB ARG 45 -11.669 -6.778 4.379 255 1HG ARG 45 1HG ARG 45 -12.187 -8.698 3.133 256 2HG ARG 45 2HG ARG 45 -10.785 -9.582 3.703 257 1HD ARG 45 1HD ARG 45 -13.132 -8.847 5.515 258 2HD ARG 45 2HD ARG 45 -13.037 -10.366 4.646 259 HE ARG 45 HE ARG 45 -10.613 -9.844 6.175 260 1HH1 ARG 45 2HH2 ARG 45 -13.909 -11.055 6.412 261 2HH1 ARG 45 1HH2 ARG 45 -13.585 -12.033 7.805 262 1HH2 ARG 45 2HH1 ARG 45 -10.186 -11.134 8.012 263 2HH2 ARG 45 1HH1 ARG 45 -11.453 -12.078 8.721 264 H GLU 46 H GLU 46 -9.424 -4.988 4.988 265 HA GLU 46 HA GLU 46 -10.487 -3.488 2.836 266 1HB GLU 46 1HB GLU 46 -10.454 -1.675 4.311 267 2HB GLU 46 2HB GLU 46 -10.558 -3.026 5.422 268 1HG GLU 46 1HG GLU 46 -8.810 -1.753 6.356 269 2HG GLU 46 2HG GLU 46 -7.935 -2.957 5.430 270 H VAL 47 H VAL 47 -7.234 -4.241 4.136 271 HA VAL 47 HA VAL 47 -5.897 -2.330 2.513 272 HB VAL 47 HB VAL 47 -3.989 -3.085 3.516 273 1HG1 VAL 47 1HG1 VAL 47 -4.429 -3.183 5.775 274 2HG1 VAL 47 2HG1 VAL 47 -6.003 -2.617 5.165 275 3HG1 VAL 47 3HG1 VAL 47 -5.773 -4.333 5.578 276 1HG2 VAL 47 1HG2 VAL 47 -5.243 -5.813 3.358 277 2HG2 VAL 47 2HG2 VAL 47 -3.662 -5.251 2.765 278 3HG2 VAL 47 3HG2 VAL 47 -3.917 -5.515 4.507 279 H ASN 48 H ASN 48 -7.134 -5.612 2.094 280 HA ASN 48 HA ASN 48 -5.467 -6.245 -0.076 281 1HB ASN 48 1HB ASN 48 -7.943 -7.371 1.207 282 2HB ASN 48 2HB ASN 48 -7.672 -7.837 -0.460 283 1HD2 ASN 48 1HD2 ASN 48 -5.130 -7.010 1.819 284 2HD2 ASN 48 2HD2 ASN 48 -4.417 -8.581 1.965 285 H LYS 49 H LYS 49 -9.010 -5.398 0.208 286 HA LYS 49 HA LYS 49 -9.443 -5.141 -2.534 287 1HB LYS 49 1HB LYS 49 -10.881 -4.231 -0.055 288 2HB LYS 49 2HB LYS 49 -11.426 -3.681 -1.627 289 1HG LYS 49 1HG LYS 49 -11.948 -5.872 -2.367 290 2HG LYS 49 2HG LYS 49 -10.883 -6.631 -1.200 291 1HD LYS 49 1HD LYS 49 -12.491 -6.666 0.425 292 2HD LYS 49 2HD LYS 49 -12.991 -5.019 0.097 293 1HE LYS 49 1HE LYS 49 -14.243 -5.844 -1.941 294 2HE LYS 49 2HE LYS 49 -13.802 -7.486 -1.516 295 1HZ LYS 49 1HZ LYS 49 -15.758 -7.321 -0.449 296 2HZ LYS 49 2HZ LYS 49 -14.830 -6.724 0.754 297 3HZ LYS 49 3HZ LYS 49 -15.667 -5.708 -0.212 298 H ALA 50 H ALA 50 -8.034 -2.970 -0.112 299 HA ALA 50 HA ALA 50 -8.302 -0.632 -1.728 300 1HB ALA 50 1HB ALA 50 -6.645 0.251 0.012 301 2HB ALA 50 2HB ALA 50 -8.199 -0.348 0.640 302 3HB ALA 50 3HB ALA 50 -6.738 -1.356 0.772 303 H LEU 51 H LEU 51 -5.708 -3.043 -1.004 304 HA LEU 51 HA LEU 51 -3.723 -1.747 -2.493 305 1HB LEU 51 1HB LEU 51 -4.150 -4.451 -1.330 306 2HB LEU 51 2HB LEU 51 -2.913 -4.288 -2.560 307 HG LEU 51 HG LEU 51 -1.534 -3.036 -1.234 308 1HD1 LEU 51 1HD1 LEU 51 -2.556 -1.827 0.881 309 2HD1 LEU 51 2HD1 LEU 51 -2.629 -1.091 -0.738 310 3HD1 LEU 51 3HD1 LEU 51 -4.055 -1.925 -0.074 311 1HD2 LEU 51 1HD2 LEU 51 -2.264 -5.299 -0.149 312 2HD2 LEU 51 2HD2 LEU 51 -1.244 -4.156 0.759 313 3HD2 LEU 51 3HD2 LEU 51 -2.990 -4.249 1.091 314 H TYR 52 H TYR 52 -6.232 -4.186 -3.339 315 HA TYR 52 HA TYR 52 -5.299 -4.669 -5.939 316 1HB TYR 52 1HB TYR 52 -7.981 -4.763 -4.445 317 2HB TYR 52 2HB TYR 52 -7.880 -5.280 -6.117 318 HD1 TYR 52 1HD TYR 52 -8.138 -6.562 -2.999 319 HD2 TYR 52 2HD TYR 52 -5.540 -6.869 -6.384 320 HE1 TYR 52 1HE TYR 52 -7.419 -8.881 -2.246 321 HE2 TYR 52 2HE TYR 52 -4.829 -9.187 -5.619 322 HH TYR 52 HH TYR 52 -4.794 -10.322 -3.112 323 H ASP 53 H ASP 53 -8.246 -2.777 -4.951 324 HA ASP 53 HA ASP 53 -8.865 -1.715 -7.294 325 1HB ASP 53 1HB ASP 53 -9.605 -1.254 -4.693 326 2HB ASP 53 2HB ASP 53 -8.805 0.264 -5.045 327 H LEU 54 H LEU 54 -6.421 -0.432 -4.928 328 HA LEU 54 HA LEU 54 -5.695 1.805 -6.449 329 1HB LEU 54 1HB LEU 54 -4.368 0.256 -4.236 330 2HB LEU 54 2HB LEU 54 -3.594 1.636 -4.989 331 HG LEU 54 HG LEU 54 -6.072 1.553 -3.287 332 1HD1 LEU 54 1HD1 LEU 54 -3.663 1.916 -2.430 333 2HD1 LEU 54 2HD1 LEU 54 -3.812 3.536 -3.152 334 3HD1 LEU 54 3HD1 LEU 54 -4.944 3.022 -1.879 335 1HD2 LEU 54 1HD2 LEU 54 -6.852 2.812 -5.144 336 2HD2 LEU 54 2HD2 LEU 54 -6.409 3.980 -3.877 337 3HD2 LEU 54 3HD2 LEU 54 -5.324 3.717 -5.263 338 H GLN 55 H GLN 55 -4.566 -1.602 -6.382 339 HA GLN 55 HA GLN 55 -2.317 -1.226 -7.930 340 1HB GLN 55 1HB GLN 55 -2.788 -3.299 -6.679 341 2HB GLN 55 2HB GLN 55 -4.161 -3.646 -7.711 342 1HG GLN 55 1HG GLN 55 -2.847 -4.470 -9.391 343 2HG GLN 55 2HG GLN 55 -1.689 -3.161 -9.256 344 1HE2 GLN 55 1HE2 GLN 55 0.171 -3.442 -8.206 345 2HE2 GLN 55 2HE2 GLN 55 0.657 -4.879 -7.370 346 H ARG 56 H ARG 56 -5.707 -2.104 -8.886 347 HA ARG 56 HA ARG 56 -5.087 -2.171 -11.608 348 1HB ARG 56 1HB ARG 56 -7.596 -2.151 -9.939 349 2HB ARG 56 2HB ARG 56 -7.773 -1.756 -11.637 350 1HG ARG 56 1HG ARG 56 -8.072 -4.161 -11.381 351 2HG ARG 56 2HG ARG 56 -6.566 -3.885 -12.234 352 1HD ARG 56 1HD ARG 56 -5.349 -4.071 -9.996 353 2HD ARG 56 2HD ARG 56 -6.873 -4.528 -9.262 354 HE ARG 56 HE ARG 56 -6.765 -6.630 -10.337 355 1HH1 ARG 56 2HH2 ARG 56 -4.261 -4.491 -11.577 356 2HH1 ARG 56 1HH2 ARG 56 -3.422 -5.752 -12.419 357 1HH2 ARG 56 2HH1 ARG 56 -5.659 -8.293 -11.447 358 2HH2 ARG 56 1HH1 ARG 56 -4.223 -7.929 -12.344 359 H SER 57 H SER 57 -5.713 0.397 -9.318 360 HA SER 57 HA SER 57 -6.628 2.239 -11.294 361 1HB SER 57 1HB SER 57 -6.121 2.269 -8.342 362 2HB SER 57 2HB SER 57 -6.006 3.814 -9.160 363 HG SER 57 HG SER 57 -8.195 3.022 -10.170 364 H ALA 58 H ALA 58 -3.581 1.231 -9.778 365 HA ALA 58 HA ALA 58 -1.495 1.600 -10.527 366 1HB ALA 58 1HB ALA 58 -1.128 2.573 -12.553 367 2HB ALA 58 2HB ALA 58 -2.903 2.530 -12.676 368 3HB ALA 58 3HB ALA 58 -2.084 4.019 -12.146 369 H MET 59 H MET 59 -3.124 2.887 -8.296 370 HA MET 59 HA MET 59 -1.883 5.448 -8.015 371 1HB MET 59 1HB MET 59 -3.430 3.863 -5.903 372 2HB MET 59 2HB MET 59 -3.254 5.604 -5.999 373 1HG MET 59 1HG MET 59 -4.376 4.880 -8.495 374 2HG MET 59 2HG MET 59 -5.207 3.862 -7.336 375 1HE MET 59 1HE MET 59 -7.437 4.922 -7.806 376 2HE MET 59 2HE MET 59 -7.248 4.675 -6.054 377 3HE MET 59 3HE MET 59 -7.985 6.175 -6.666 378 H VAL 60 H VAL 60 -0.969 2.206 -7.456 379 HA VAL 60 HA VAL 60 1.298 3.096 -5.912 380 HB VAL 60 HB VAL 60 0.909 1.220 -4.249 381 1HG1 VAL 60 1HG1 VAL 60 0.569 3.769 -3.928 382 2HG1 VAL 60 2HG1 VAL 60 -1.170 3.391 -3.977 383 3HG1 VAL 60 3HG1 VAL 60 -0.134 2.659 -2.728 384 1HG2 VAL 60 1HG2 VAL 60 -1.856 1.181 -4.065 385 2HG2 VAL 60 2HG2 VAL 60 -1.560 1.028 -5.813 386 3HG2 VAL 60 3HG2 VAL 60 -0.826 -0.133 -4.681 387 H TYR 61 H TYR 61 2.958 1.310 -5.755 388 HA TYR 61 HA TYR 61 2.569 -0.623 -7.940 389 1HB TYR 61 1HB TYR 61 4.653 1.450 -7.256 390 2HB TYR 61 2HB TYR 61 5.309 -0.101 -7.740 391 HD1 TYR 61 1HD TYR 61 6.236 0.343 -9.855 392 HD2 TYR 61 2HD TYR 61 2.227 1.582 -9.022 393 HE1 TYR 61 1HE TYR 61 5.917 0.975 -12.297 394 HE2 TYR 61 2HE TYR 61 1.921 2.211 -11.466 395 HH TYR 61 HH TYR 61 4.395 2.664 -13.532 396 H SER 62 H SER 62 4.980 -2.016 -7.658 397 HA SER 62 HA SER 62 4.807 -2.947 -4.901 398 1HB SER 62 1HB SER 62 3.651 -4.459 -6.608 399 2HB SER 62 2HB SER 62 5.222 -4.739 -7.331 400 HG SER 62 HG SER 62 5.466 -6.277 -5.872 401 H SER 63 H SER 63 6.835 -4.176 -4.205 402 HA SER 63 HA SER 63 9.095 -2.732 -5.211 403 1HB SER 63 1HB SER 63 8.597 -3.157 -2.735 404 2HB SER 63 2HB SER 63 9.027 -4.834 -3.007 405 HG SER 63 HG SER 63 10.796 -2.640 -3.660 406 H ASP 64 H ASP 64 7.589 -5.902 -5.483 407 HA ASP 64 HA ASP 64 8.016 -7.547 -6.855 408 1HB ASP 64 1HB ASP 64 9.456 -5.559 -8.085 409 2HB ASP 64 2HB ASP 64 10.755 -6.667 -7.688 410 H ASP 65 H ASP 65 9.128 -7.075 -4.022 411 HA ASP 65 HA ASP 65 10.941 -9.329 -4.081 412 1HB ASP 65 1HB ASP 65 11.600 -6.563 -3.272 413 2HB ASP 65 2HB ASP 65 11.928 -7.721 -1.998 414 H ILE 66 H ILE 66 11.342 -9.955 -1.547 415 HA ILE 66 HA ILE 66 8.710 -9.747 -0.271 416 HB ILE 66 HB ILE 66 9.144 -11.983 -0.813 417 1HG1 ILE 66 1HG1 ILE 66 9.922 -12.806 1.690 418 2HG1 ILE 66 2HG1 ILE 66 9.365 -11.176 2.014 419 1HG2 ILE 66 1HG2 ILE 66 11.932 -11.579 0.299 420 2HG2 ILE 66 2HG2 ILE 66 11.245 -13.157 -0.156 421 3HG2 ILE 66 3HG2 ILE 66 11.470 -11.894 -1.391 422 1HD1 ILE 66 1HD1 ILE 66 7.811 -13.454 0.730 423 2HD1 ILE 66 2HD1 ILE 66 7.425 -12.562 2.221 424 3HD1 ILE 66 3HD1 ILE 66 7.259 -11.764 0.638 425 HA PRO 67 HA PRO 67 7.896 -10.006 1.431 426 1HB PRO 67 1HB PRO 67 6.526 -8.308 3.077 427 2HB PRO 67 2HB PRO 67 7.258 -9.800 3.634 428 1HG PRO 67 1HG PRO 67 8.181 -7.021 4.035 429 2HG PRO 67 2HG PRO 67 8.636 -8.466 4.915 430 1HD PRO 67 1HD PRO 67 10.187 -7.115 2.916 431 2HD PRO 67 2HD PRO 67 10.589 -8.623 3.712 432 HA PRO 68 HA PRO 68 6.082 -7.413 -1.401 433 1HB PRO 68 1HB PRO 68 3.388 -7.774 -1.126 434 2HB PRO 68 2HB PRO 68 4.425 -8.906 -1.971 435 1HG PRO 68 1HG PRO 68 3.204 -9.156 0.710 436 2HG PRO 68 2HG PRO 68 3.873 -10.412 -0.313 437 1HD PRO 68 1HD PRO 68 5.108 -9.239 1.995 438 2HD PRO 68 2HD PRO 68 5.823 -10.410 0.905 439 H ARG 69 H ARG 69 6.573 -5.309 -1.199 440 HA ARG 69 HA ARG 69 4.825 -3.929 0.677 441 1HB ARG 69 1HB ARG 69 7.583 -3.000 -0.260 442 2HB ARG 69 2HB ARG 69 6.626 -2.300 1.030 443 1HG ARG 69 1HG ARG 69 7.487 -3.766 2.529 444 2HG ARG 69 2HG ARG 69 6.938 -5.126 1.570 445 1HD ARG 69 1HD ARG 69 9.153 -5.579 1.243 446 2HD ARG 69 2HD ARG 69 9.127 -4.255 0.095 447 HE ARG 69 HE ARG 69 9.535 -2.941 2.477 448 1HH1 ARG 69 2HH2 ARG 69 11.125 -5.695 0.970 449 2HH1 ARG 69 1HH2 ARG 69 12.661 -5.372 1.702 450 1HH2 ARG 69 2HH1 ARG 69 11.562 -2.513 3.443 451 2HH2 ARG 69 1HH1 ARG 69 12.911 -3.550 3.118 452 H TRP 70 H TRP 70 3.516 -2.315 -0.178 453 HA TRP 70 HA TRP 70 3.638 -1.896 -3.023 454 1HB TRP 70 1HB TRP 70 1.772 -0.769 -0.927 455 2HB TRP 70 2HB TRP 70 1.589 -0.596 -2.661 456 HD1 TRP 70 HD TRP 70 1.559 -3.437 0.006 457 HE1 TRP 70 1HE TRP 70 0.056 -5.451 -0.797 458 HE3 TRP 70 3HE TRP 70 0.587 -1.555 -4.617 459 HZ2 TRP 70 2HZ TRP 70 -1.340 -6.020 -3.220 460 HZ3 TRP 70 3HZ TRP 70 -0.855 -2.903 -6.140 461 HH2 TRP 70 HH TRP 70 -1.807 -5.064 -5.507 462 H PHE 71 H PHE 71 4.702 -0.220 -4.003 463 HA PHE 71 HA PHE 71 5.565 1.970 -2.247 464 1HB PHE 71 1HB PHE 71 6.770 0.378 -4.537 465 2HB PHE 71 2HB PHE 71 7.244 2.059 -4.406 466 HD1 PHE 71 1HD PHE 71 6.477 0.342 -1.313 467 HD2 PHE 71 2HD PHE 71 9.567 1.247 -4.076 468 HE1 PHE 71 1HE PHE 71 8.196 -0.276 0.408 469 HE2 PHE 71 2HE PHE 71 11.287 0.629 -2.356 470 HZ PHE 71 HZ PHE 71 10.581 -0.126 -0.134 471 H MET 72 H MET 72 6.445 3.776 -4.183 472 HA MET 72 HA MET 72 3.926 4.354 -5.537 473 1HB MET 72 1HB MET 72 5.248 5.865 -3.639 474 2HB MET 72 2HB MET 72 5.971 6.515 -5.097 475 1HG MET 72 1HG MET 72 3.549 6.778 -6.001 476 2HG MET 72 2HG MET 72 3.012 6.454 -4.364 477 1HE MET 72 1HE MET 72 3.745 10.018 -6.333 478 2HE MET 72 2HE MET 72 2.631 8.630 -6.335 479 3HE MET 72 3HE MET 72 2.381 9.970 -5.191 480 H THR 73 H THR 73 4.229 3.514 -7.603 481 HA THR 73 HA THR 73 5.322 3.028 -9.526 482 HB THR 73 HB THR 73 4.167 5.075 -10.085 483 HG1 THR 73 1HG THR 73 5.749 4.650 -11.676 484 1HG2 THR 73 1HG2 THR 73 6.550 6.550 -8.846 485 2HG2 THR 73 2HG2 THR 73 5.172 7.310 -9.678 486 3HG2 THR 73 3HG2 THR 73 4.923 6.469 -8.129 487 H THR 74 H THR 74 7.083 1.758 -8.824 488 HA THR 74 HA THR 74 9.579 2.730 -9.622 489 HB THR 74 HB THR 74 9.316 4.041 -7.459 490 HG1 THR 74 1HG THR 74 11.431 3.422 -8.212 491 1HG2 THR 74 1HG2 THR 74 9.352 2.928 -5.347 492 2HG2 THR 74 2HG2 THR 74 8.138 2.007 -6.267 493 3HG2 THR 74 3HG2 THR 74 9.789 1.367 -6.082 Start of MODEL 9 1 H ARG 13 H ARG 13 -10.535 10.276 -2.422 2 HA ARG 13 HA ARG 13 -9.451 12.317 -0.996 3 1HB ARG 13 1HB ARG 13 -11.260 13.478 -2.710 4 2HB ARG 13 2HB ARG 13 -12.314 13.133 -1.353 5 1HG ARG 13 1HG ARG 13 -11.377 15.367 -1.053 6 2HG ARG 13 2HG ARG 13 -10.704 14.315 0.177 7 1HD ARG 13 1HD ARG 13 -8.593 14.138 -0.967 8 2HD ARG 13 2HD ARG 13 -9.255 14.767 -2.463 9 HE ARG 13 HE ARG 13 -9.628 16.757 -0.457 10 1HH1 ARG 13 2HH2 ARG 13 -6.998 15.192 -2.194 11 2HH1 ARG 13 1HH2 ARG 13 -5.936 16.555 -2.071 12 1HH2 ARG 13 2HH1 ARG 13 -8.228 18.555 -0.295 13 2HH2 ARG 13 1HH1 ARG 13 -6.640 18.480 -0.984 14 H SER 14 H SER 14 -9.663 9.832 -0.217 15 HA SER 14 HA SER 14 -11.553 9.932 1.905 16 1HB SER 14 1HB SER 14 -12.980 8.982 0.135 17 2HB SER 14 2HB SER 14 -11.777 7.758 -0.222 18 HG SER 14 HG SER 14 -12.084 7.246 2.236 19 H ASN 15 H ASN 15 -9.889 7.228 0.127 20 HA ASN 15 HA ASN 15 -8.359 6.807 2.571 21 1HB ASN 15 1HB ASN 15 -8.057 4.463 1.149 22 2HB ASN 15 2HB ASN 15 -9.306 4.714 2.352 23 1HD2 ASN 15 1HD2 ASN 15 -8.526 4.542 -1.024 24 2HD2 ASN 15 2HD2 ASN 15 -10.136 4.492 -1.660 25 H ALA 16 H ALA 16 -8.349 6.727 -1.054 26 HA ALA 16 HA ALA 16 -5.739 6.095 -1.534 27 1HB ALA 16 1HB ALA 16 -7.674 7.968 -2.937 28 2HB ALA 16 2HB ALA 16 -6.081 7.549 -3.612 29 3HB ALA 16 3HB ALA 16 -7.294 6.276 -3.337 30 H GLU 17 H GLU 17 -7.162 9.205 -0.455 31 HA GLU 17 HA GLU 17 -4.862 10.714 -0.875 32 1HB GLU 17 1HB GLU 17 -5.950 12.388 0.552 33 2HB GLU 17 2HB GLU 17 -7.125 11.680 -0.538 34 1HG GLU 17 1HG GLU 17 -7.774 10.067 1.331 35 2HG GLU 17 2HG GLU 17 -6.718 10.965 2.402 36 H ILE 18 H ILE 18 -6.138 8.953 2.021 37 HA ILE 18 HA ILE 18 -3.968 9.732 3.670 38 HB ILE 18 HB ILE 18 -6.043 7.553 3.918 39 1HG1 ILE 18 1HG1 ILE 18 -7.177 9.601 3.960 40 2HG1 ILE 18 2HG1 ILE 18 -6.953 9.191 5.649 41 1HG2 ILE 18 1HG2 ILE 18 -3.916 7.126 5.205 42 2HG2 ILE 18 2HG2 ILE 18 -4.261 8.614 6.119 43 3HG2 ILE 18 3HG2 ILE 18 -5.399 7.248 6.181 44 1HD1 ILE 18 1HD1 ILE 18 -6.329 11.480 5.521 45 2HD1 ILE 18 2HD1 ILE 18 -4.774 10.613 5.527 46 3HD1 ILE 18 3HD1 ILE 18 -5.437 11.240 3.999 47 H VAL 19 H VAL 19 -4.634 7.044 1.421 48 HA VAL 19 HA VAL 19 -2.500 5.419 2.302 49 HB VAL 19 HB VAL 19 -3.823 5.518 -0.414 50 1HG1 VAL 19 1HG1 VAL 19 -1.665 4.085 0.198 51 2HG1 VAL 19 2HG1 VAL 19 -2.888 2.996 0.897 52 3HG1 VAL 19 3HG1 VAL 19 -2.966 3.432 -0.827 53 1HG2 VAL 19 1HG2 VAL 19 -4.895 3.473 1.303 54 2HG2 VAL 19 2HG2 VAL 19 -5.044 5.055 2.104 55 3HG2 VAL 19 3HG2 VAL 19 -5.738 4.810 0.483 56 H CYS 20 H CYS 20 -2.828 8.137 0.005 57 HA CYS 20 HA CYS 20 -0.223 7.720 -1.082 58 1HB CYS 20 1HB CYS 20 -2.070 8.742 -2.390 59 2HB CYS 20 2HB CYS 20 -2.063 10.125 -1.314 60 HG CYS 20 HG CYS 20 0.908 9.678 -1.897 61 H GLU 21 H GLU 21 -1.802 9.614 1.510 62 HA GLU 21 HA GLU 21 0.324 11.362 1.949 63 1HB GLU 21 1HB GLU 21 -2.158 11.447 2.772 64 2HB GLU 21 2HB GLU 21 -1.607 10.454 4.106 65 1HG GLU 21 1HG GLU 21 0.076 12.157 4.731 66 2HG GLU 21 2HG GLU 21 -0.349 13.129 3.336 67 H ALA 22 H ALA 22 -0.404 8.044 3.031 68 HA ALA 22 HA ALA 22 1.640 8.054 5.041 69 1HB ALA 22 1HB ALA 22 1.014 5.422 4.565 70 2HB ALA 22 2HB ALA 22 0.115 6.492 5.667 71 3HB ALA 22 3HB ALA 22 -0.461 6.244 4.001 72 H ILE 23 H ILE 23 1.178 6.276 1.896 73 HA ILE 23 HA ILE 23 3.680 5.193 1.742 74 HB ILE 23 HB ILE 23 1.708 4.736 0.295 75 1HG1 ILE 23 1HG1 ILE 23 4.214 5.287 -1.309 76 2HG1 ILE 23 2HG1 ILE 23 4.096 3.980 -0.148 77 1HG2 ILE 23 1HG2 ILE 23 1.513 7.329 -0.194 78 2HG2 ILE 23 2HG2 ILE 23 2.565 6.908 -1.568 79 3HG2 ILE 23 3HG2 ILE 23 0.985 6.110 -1.379 80 1HD1 ILE 23 1HD1 ILE 23 1.942 3.266 -1.418 81 2HD1 ILE 23 2HD1 ILE 23 2.494 4.370 -2.701 82 3HD1 ILE 23 3HD1 ILE 23 3.502 2.981 -2.226 83 H LYS 24 H LYS 24 2.591 8.513 0.909 84 HA LYS 24 HA LYS 24 5.068 9.258 -0.243 85 1HB LYS 24 1HB LYS 24 2.873 10.331 -0.731 86 2HB LYS 24 2HB LYS 24 2.857 10.998 0.889 87 1HG LYS 24 1HG LYS 24 5.414 11.529 -0.466 88 2HG LYS 24 2HG LYS 24 4.060 12.149 -1.389 89 1HD LYS 24 1HD LYS 24 3.911 12.682 1.542 90 2HD LYS 24 2HD LYS 24 5.245 13.471 0.725 91 1HE LYS 24 1HE LYS 24 2.752 13.685 -0.827 92 2HE LYS 24 2HE LYS 24 2.564 14.345 0.785 93 1HZ LYS 24 1HZ LYS 24 4.856 15.403 0.189 94 2HZ LYS 24 2HZ LYS 24 4.321 15.214 -1.342 95 3HZ LYS 24 3HZ LYS 24 3.457 16.103 -0.278 96 H THR 25 H THR 25 3.540 9.787 3.003 97 HA THR 25 HA THR 25 5.603 11.243 4.128 98 HB THR 25 HB THR 25 3.506 9.310 5.214 99 HG1 THR 25 1HG THR 25 2.445 11.243 5.050 100 1HG2 THR 25 1HG2 THR 25 4.517 11.263 7.137 101 2HG2 THR 25 2HG2 THR 25 4.337 9.503 7.334 102 3HG2 THR 25 3HG2 THR 25 5.829 10.173 6.632 103 H ILE 26 H ILE 26 5.453 7.820 3.306 104 HA ILE 26 HA ILE 26 7.608 7.106 5.039 105 HB ILE 26 HB ILE 26 6.324 5.670 2.714 106 1HG1 ILE 26 1HG1 ILE 26 5.892 4.923 5.578 107 2HG1 ILE 26 2HG1 ILE 26 5.045 6.326 4.957 108 1HG2 ILE 26 1HG2 ILE 26 8.706 4.992 3.353 109 2HG2 ILE 26 2HG2 ILE 26 8.003 4.411 4.881 110 3HG2 ILE 26 3HG2 ILE 26 7.464 3.717 3.333 111 1HD1 ILE 26 1HD1 ILE 26 3.587 5.029 3.804 112 2HD1 ILE 26 2HD1 ILE 26 4.914 4.128 3.033 113 3HD1 ILE 26 3HD1 ILE 26 4.302 3.622 4.626 114 H GLY 27 H GLY 27 7.855 6.093 1.680 115 1HA GLY 27 1HA GLY 27 9.267 7.756 0.268 116 2HA GLY 27 2HA GLY 27 10.450 7.459 1.526 117 H ILE 28 H ILE 28 10.972 5.074 2.008 118 HA ILE 28 HA ILE 28 10.880 3.582 -0.522 119 HB ILE 28 HB ILE 28 13.042 2.958 -0.286 120 1HG1 ILE 28 1HG1 ILE 28 14.122 3.311 2.172 121 2HG1 ILE 28 2HG1 ILE 28 12.462 2.983 2.627 122 1HG2 ILE 28 1HG2 ILE 28 14.411 4.866 0.416 123 2HG2 ILE 28 2HG2 ILE 28 13.002 5.384 -0.540 124 3HG2 ILE 28 3HG2 ILE 28 13.000 5.583 1.229 125 1HD1 ILE 28 1HD1 ILE 28 14.184 0.988 2.260 126 2HD1 ILE 28 2HD1 ILE 28 12.489 0.819 1.744 127 3HD1 ILE 28 3HD1 ILE 28 13.748 1.211 0.549 128 H GLU 29 H GLU 29 10.151 3.695 2.903 129 HA GLU 29 HA GLU 29 10.040 0.933 3.317 130 1HB GLU 29 1HB GLU 29 9.657 3.301 4.840 131 2HB GLU 29 2HB GLU 29 8.154 2.411 4.978 132 1HG GLU 29 1HG GLU 29 9.205 0.517 5.947 133 2HG GLU 29 2HG GLU 29 10.783 0.943 5.315 134 H GLY 30 H GLY 30 8.212 2.911 1.284 135 1HA GLY 30 1HA GLY 30 6.101 2.818 0.439 136 2HA GLY 30 2HA GLY 30 6.533 1.131 0.241 137 H ALA 31 H ALA 31 4.260 0.549 0.498 138 HA ALA 31 HA ALA 31 3.416 0.680 3.313 139 1HB ALA 31 1HB ALA 31 1.593 0.601 0.881 140 2HB ALA 31 2HB ALA 31 1.143 0.911 2.575 141 3HB ALA 31 3HB ALA 31 2.098 2.112 1.674 142 H THR 32 H THR 32 4.400 -1.330 3.837 143 HA THR 32 HA THR 32 3.795 -3.633 2.204 144 HB THR 32 HB THR 32 5.989 -3.050 3.526 145 HG1 THR 32 1HG THR 32 5.410 -5.136 2.523 146 1HG2 THR 32 1HG2 THR 32 4.422 -4.492 5.717 147 2HG2 THR 32 2HG2 THR 32 6.081 -3.856 5.808 148 3HG2 THR 32 3HG2 THR 32 4.700 -2.735 5.750 149 H ALA 33 H ALA 33 3.104 -5.703 3.541 150 HA ALA 33 HA ALA 33 0.428 -5.361 4.134 151 1HB ALA 33 1HB ALA 33 2.205 -7.462 3.780 152 2HB ALA 33 2HB ALA 33 1.723 -7.634 5.485 153 3HB ALA 33 3HB ALA 33 0.485 -7.620 4.206 154 H ALA 34 H ALA 34 3.067 -6.176 6.507 155 HA ALA 34 HA ALA 34 1.756 -5.927 8.810 156 1HB ALA 34 1HB ALA 34 3.970 -4.886 9.675 157 2HB ALA 34 2HB ALA 34 4.051 -6.476 8.878 158 3HB ALA 34 3HB ALA 34 4.522 -5.009 7.987 159 H GLN 35 H GLN 35 3.373 -3.085 7.207 160 HA GLN 35 HA GLN 35 2.329 -1.214 8.904 161 1HB GLN 35 1HB GLN 35 3.494 -1.208 6.151 162 2HB GLN 35 2HB GLN 35 2.573 0.217 6.589 163 1HG GLN 35 1HG GLN 35 3.953 0.491 8.649 164 2HG GLN 35 2HG GLN 35 4.859 -0.953 8.246 165 1HE2 GLN 35 1HE2 GLN 35 3.824 2.146 6.838 166 2HE2 GLN 35 2HE2 GLN 35 5.291 2.505 5.989 167 H LEU 36 H LEU 36 0.952 -2.671 5.920 168 HA LEU 36 HA LEU 36 -1.294 -0.911 5.896 169 1HB LEU 36 1HB LEU 36 -0.364 -3.284 4.353 170 2HB LEU 36 2HB LEU 36 -2.067 -2.878 4.290 171 HG LEU 36 HG LEU 36 -0.120 -0.670 3.796 172 1HD1 LEU 36 1HD1 LEU 36 0.803 -2.624 2.552 173 2HD1 LEU 36 2HD1 LEU 36 -0.737 -2.733 1.666 174 3HD1 LEU 36 3HD1 LEU 36 0.279 -1.279 1.511 175 1HD2 LEU 36 1HD2 LEU 36 -2.084 -0.616 1.863 176 2HD2 LEU 36 2HD2 LEU 36 -2.932 -1.289 3.276 177 3HD2 LEU 36 3HD2 LEU 36 -2.101 0.279 3.401 178 H THR 37 H THR 37 -0.351 -3.269 8.047 179 HA THR 37 HA THR 37 -3.141 -4.075 8.552 180 HB THR 37 HB THR 37 -0.492 -5.457 9.239 181 HG1 THR 37 1HG THR 37 -1.180 -5.480 6.962 182 1HG2 THR 37 1HG2 THR 37 -2.783 -5.811 10.654 183 2HG2 THR 37 2HG2 THR 37 -3.175 -6.827 9.247 184 3HG2 THR 37 3HG2 THR 37 -1.728 -7.178 10.222 185 H ARG 38 H ARG 38 -0.505 -2.137 9.610 186 HA ARG 38 HA ARG 38 -1.529 -2.199 12.319 187 1HB ARG 38 1HB ARG 38 1.071 -2.184 11.400 188 2HB ARG 38 2HB ARG 38 0.821 -0.468 11.650 189 1HG ARG 38 1HG ARG 38 0.729 -0.674 13.938 190 2HG ARG 38 2HG ARG 38 -0.192 -2.163 13.873 191 1HD ARG 38 1HD ARG 38 1.715 -3.284 14.396 192 2HD ARG 38 2HD ARG 38 2.335 -2.866 12.811 193 HE ARG 38 HE ARG 38 3.041 -1.590 15.361 194 1HH1 ARG 38 2HH2 ARG 38 3.034 -1.266 11.857 195 2HH1 ARG 38 1HH2 ARG 38 4.309 -0.093 11.836 196 1HH2 ARG 38 2HH1 ARG 38 4.722 -0.042 15.333 197 2HH2 ARG 38 1HH1 ARG 38 5.275 0.608 13.826 198 H GLN 39 H GLN 39 -1.092 -0.165 9.418 199 HA GLN 39 HA GLN 39 -1.623 2.282 10.600 200 1HB GLN 39 1HB GLN 39 -1.326 1.189 7.915 201 2HB GLN 39 2HB GLN 39 -2.633 2.356 7.943 202 1HG GLN 39 1HG GLN 39 -1.001 3.937 7.758 203 2HG GLN 39 2HG GLN 39 -0.712 3.654 9.463 204 1HE2 GLN 39 1HE2 GLN 39 0.457 1.258 9.600 205 2HE2 GLN 39 2HE2 GLN 39 1.976 1.220 8.768 206 H LEU 40 H LEU 40 -3.710 -0.405 9.619 207 HA LEU 40 HA LEU 40 -6.063 1.274 10.103 208 1HB LEU 40 1HB LEU 40 -7.096 -1.000 9.147 209 2HB LEU 40 2HB LEU 40 -6.614 0.357 8.149 210 HG LEU 40 HG LEU 40 -4.710 -1.908 8.744 211 1HD1 LEU 40 1HD1 LEU 40 -6.414 -1.834 6.263 212 2HD1 LEU 40 2HD1 LEU 40 -5.453 -3.173 6.935 213 3HD1 LEU 40 3HD1 LEU 40 -6.959 -2.666 7.739 214 1HD2 LEU 40 1HD2 LEU 40 -4.588 0.545 7.238 215 2HD2 LEU 40 2HD2 LEU 40 -3.305 -0.638 7.590 216 3HD2 LEU 40 3HD2 LEU 40 -4.345 -0.851 6.161 217 H ASN 41 H ASN 41 -6.343 -2.198 10.362 218 HA ASN 41 HA ASN 41 -5.831 -2.251 13.152 219 1HB ASN 41 1HB ASN 41 -8.518 -1.628 12.202 220 2HB ASN 41 2HB ASN 41 -8.541 -3.197 12.983 221 1HD2 ASN 41 1HD2 ASN 41 -7.127 0.045 13.402 222 2HD2 ASN 41 2HD2 ASN 41 -7.382 0.178 15.111 223 H MET 42 H MET 42 -5.172 -3.594 10.498 224 HA MET 42 HA MET 42 -4.634 -5.623 9.884 225 1HB MET 42 1HB MET 42 -6.240 -6.792 12.211 226 2HB MET 42 2HB MET 42 -4.879 -7.527 11.388 227 1HG MET 42 1HG MET 42 -3.419 -6.535 12.818 228 2HG MET 42 2HG MET 42 -4.038 -4.947 12.408 229 1HE MET 42 1HE MET 42 -4.896 -7.869 15.564 230 2HE MET 42 2HE MET 42 -6.488 -7.736 14.778 231 3HE MET 42 3HE MET 42 -5.052 -8.158 13.815 232 H GLU 43 H GLU 43 -6.871 -4.304 8.787 233 HA GLU 43 HA GLU 43 -8.902 -6.358 8.606 234 1HB GLU 43 1HB GLU 43 -8.781 -3.436 7.790 235 2HB GLU 43 2HB GLU 43 -10.051 -4.484 7.190 236 1HG GLU 43 1HG GLU 43 -9.417 -4.106 10.154 237 2HG GLU 43 2HG GLU 43 -10.661 -3.215 9.300 238 H LYS 44 H LYS 44 -6.904 -7.566 7.489 239 HA LYS 44 HA LYS 44 -5.939 -6.924 5.042 240 1HB LYS 44 1HB LYS 44 -5.200 -8.846 6.343 241 2HB LYS 44 2HB LYS 44 -6.736 -9.653 6.096 242 1HG LYS 44 1HG LYS 44 -6.264 -9.417 3.547 243 2HG LYS 44 2HG LYS 44 -4.625 -8.993 4.003 244 1HD LYS 44 1HD LYS 44 -4.444 -11.316 3.716 245 2HD LYS 44 2HD LYS 44 -4.699 -11.197 5.446 246 1HE LYS 44 1HE LYS 44 -6.683 -12.308 5.325 247 2HE LYS 44 2HE LYS 44 -7.265 -11.280 4.030 248 1HZ LYS 44 1HZ LYS 44 -5.826 -13.784 3.857 249 2HZ LYS 44 2HZ LYS 44 -7.069 -13.235 2.952 250 3HZ LYS 44 3HZ LYS 44 -5.556 -12.686 2.679 251 H ARG 45 H ARG 45 -9.240 -7.754 5.917 252 HA ARG 45 HA ARG 45 -10.080 -8.630 3.432 253 1HB ARG 45 1HB ARG 45 -11.347 -7.609 5.937 254 2HB ARG 45 2HB ARG 45 -12.332 -7.421 4.499 255 1HG ARG 45 1HG ARG 45 -12.140 -9.828 3.993 256 2HG ARG 45 2HG ARG 45 -11.021 -10.055 5.323 257 1HD ARG 45 1HD ARG 45 -13.148 -8.862 6.630 258 2HD ARG 45 2HD ARG 45 -13.988 -9.753 5.376 259 HE ARG 45 HE ARG 45 -13.337 -11.776 6.387 260 1HH1 ARG 45 2HH2 ARG 45 -11.502 -9.112 7.772 261 2HH1 ARG 45 1HH2 ARG 45 -10.826 -10.072 9.046 262 1HH2 ARG 45 2HH1 ARG 45 -12.446 -13.043 8.067 263 2HH2 ARG 45 1HH1 ARG 45 -11.367 -12.323 9.215 264 H GLU 46 H GLU 46 -10.185 -5.353 5.002 265 HA GLU 46 HA GLU 46 -11.240 -4.162 2.659 266 1HB GLU 46 1HB GLU 46 -11.257 -2.142 3.904 267 2HB GLU 46 2HB GLU 46 -11.550 -3.390 5.099 268 1HG GLU 46 1HG GLU 46 -9.183 -3.360 5.786 269 2HG GLU 46 2HG GLU 46 -8.784 -2.241 4.499 270 H VAL 47 H VAL 47 -8.010 -4.568 4.159 271 HA VAL 47 HA VAL 47 -6.686 -2.750 2.452 272 HB VAL 47 HB VAL 47 -6.104 -4.112 4.738 273 1HG1 VAL 47 1HG1 VAL 47 -5.673 -6.147 3.208 274 2HG1 VAL 47 2HG1 VAL 47 -4.191 -5.290 2.720 275 3HG1 VAL 47 3HG1 VAL 47 -4.441 -5.737 4.425 276 1HG2 VAL 47 1HG2 VAL 47 -5.053 -2.032 3.337 277 2HG2 VAL 47 2HG2 VAL 47 -4.334 -2.705 4.820 278 3HG2 VAL 47 3HG2 VAL 47 -3.723 -3.208 3.225 279 H ASN 48 H ASN 48 -7.865 -6.052 2.119 280 HA ASN 48 HA ASN 48 -6.109 -6.716 0.011 281 1HB ASN 48 1HB ASN 48 -8.582 -7.905 1.273 282 2HB ASN 48 2HB ASN 48 -8.162 -8.465 -0.334 283 1HD2 ASN 48 1HD2 ASN 48 -8.086 -10.394 1.295 284 2HD2 ASN 48 2HD2 ASN 48 -6.509 -10.827 1.866 285 H LYS 49 H LYS 49 -9.701 -6.078 0.224 286 HA LYS 49 HA LYS 49 -10.206 -6.004 -2.478 287 1HB LYS 49 1HB LYS 49 -11.586 -5.448 -0.040 288 2HB LYS 49 2HB LYS 49 -11.888 -4.115 -1.136 289 1HG LYS 49 1HG LYS 49 -13.511 -5.501 -1.980 290 2HG LYS 49 2HG LYS 49 -12.180 -6.199 -2.881 291 1HD LYS 49 1HD LYS 49 -12.189 -8.139 -1.653 292 2HD LYS 49 2HD LYS 49 -12.456 -7.300 -0.137 293 1HE LYS 49 1HE LYS 49 -14.838 -7.131 -0.534 294 2HE LYS 49 2HE LYS 49 -14.666 -7.596 -2.215 295 1HZ LYS 49 1HZ LYS 49 -15.328 -9.313 -0.410 296 2HZ LYS 49 2HZ LYS 49 -14.370 -9.755 -1.656 297 3HZ LYS 49 3HZ LYS 49 -13.714 -9.444 -0.193 298 H ALA 50 H ALA 50 -8.744 -3.570 -0.333 299 HA ALA 50 HA ALA 50 -9.001 -1.442 -2.207 300 1HB ALA 50 1HB ALA 50 -7.519 -1.926 0.381 301 2HB ALA 50 2HB ALA 50 -7.187 -0.473 -0.592 302 3HB ALA 50 3HB ALA 50 -8.827 -0.770 0.033 303 H LEU 51 H LEU 51 -6.073 -3.204 -0.952 304 HA LEU 51 HA LEU 51 -4.246 -2.297 -2.698 305 1HB LEU 51 1HB LEU 51 -4.644 -4.820 -1.206 306 2HB LEU 51 2HB LEU 51 -3.478 -4.883 -2.512 307 HG LEU 51 HG LEU 51 -2.104 -3.216 -1.518 308 1HD1 LEU 51 1HD1 LEU 51 -4.167 -2.775 0.651 309 2HD1 LEU 51 2HD1 LEU 51 -2.668 -1.861 0.354 310 3HD1 LEU 51 3HD1 LEU 51 -4.020 -1.752 -0.798 311 1HD2 LEU 51 1HD2 LEU 51 -2.146 -5.577 -0.531 312 2HD2 LEU 51 2HD2 LEU 51 -1.363 -4.295 0.425 313 3HD2 LEU 51 3HD2 LEU 51 -2.998 -4.851 0.853 314 H TYR 52 H TYR 52 -6.713 -4.849 -3.308 315 HA TYR 52 HA TYR 52 -5.774 -5.598 -5.830 316 1HB TYR 52 1HB TYR 52 -8.447 -5.510 -4.330 317 2HB TYR 52 2HB TYR 52 -8.399 -6.130 -5.968 318 HD1 TYR 52 1HD TYR 52 -8.753 -7.286 -2.866 319 HD2 TYR 52 2HD TYR 52 -5.978 -7.726 -6.093 320 HE1 TYR 52 1HE TYR 52 -8.081 -9.574 -1.985 321 HE2 TYR 52 2HE TYR 52 -5.315 -10.012 -5.201 322 HH TYR 52 HH TYR 52 -5.956 -11.014 -2.158 323 H ASP 53 H ASP 53 -8.704 -3.565 -5.104 324 HA ASP 53 HA ASP 53 -9.246 -2.751 -7.570 325 1HB ASP 53 1HB ASP 53 -10.138 -2.064 -5.106 326 2HB ASP 53 2HB ASP 53 -9.229 -0.607 -5.454 327 H LEU 54 H LEU 54 -6.884 -1.237 -5.256 328 HA LEU 54 HA LEU 54 -6.096 0.863 -6.899 329 1HB LEU 54 1HB LEU 54 -4.511 -0.596 -4.780 330 2HB LEU 54 2HB LEU 54 -4.140 0.986 -5.437 331 HG LEU 54 HG LEU 54 -6.433 0.190 -3.647 332 1HD1 LEU 54 1HD1 LEU 54 -5.318 2.537 -2.721 333 2HD1 LEU 54 2HD1 LEU 54 -4.960 0.897 -2.128 334 3HD1 LEU 54 3HD1 LEU 54 -3.914 1.647 -3.357 335 1HD2 LEU 54 1HD2 LEU 54 -7.729 1.543 -4.904 336 2HD2 LEU 54 2HD2 LEU 54 -6.889 2.826 -4.001 337 3HD2 LEU 54 3HD2 LEU 54 -6.341 2.383 -5.635 338 H GLN 55 H GLN 55 -4.822 -2.502 -6.547 339 HA GLN 55 HA GLN 55 -2.666 -2.216 -8.202 340 1HB GLN 55 1HB GLN 55 -2.881 -4.209 -6.893 341 2HB GLN 55 2HB GLN 55 -4.456 -4.584 -7.562 342 1HG GLN 55 1HG GLN 55 -2.478 -4.354 -9.704 343 2HG GLN 55 2HG GLN 55 -1.929 -5.497 -8.495 344 1HE2 GLN 55 1HE2 GLN 55 -3.733 -6.977 -7.648 345 2HE2 GLN 55 2HE2 GLN 55 -4.741 -7.728 -8.839 346 H ARG 56 H ARG 56 -6.123 -2.799 -8.970 347 HA ARG 56 HA ARG 56 -5.541 -3.199 -11.722 348 1HB ARG 56 1HB ARG 56 -8.078 -2.957 -10.066 349 2HB ARG 56 2HB ARG 56 -8.178 -2.926 -11.815 350 1HG ARG 56 1HG ARG 56 -8.350 -5.213 -11.514 351 2HG ARG 56 2HG ARG 56 -6.603 -5.101 -11.589 352 1HD ARG 56 1HD ARG 56 -6.340 -5.596 -9.354 353 2HD ARG 56 2HD ARG 56 -7.723 -4.635 -8.870 354 HE ARG 56 HE ARG 56 -8.986 -6.590 -8.875 355 1HH1 ARG 56 2HH2 ARG 56 -6.306 -6.998 -11.119 356 2HH1 ARG 56 1HH2 ARG 56 -6.713 -8.637 -11.506 357 1HH2 ARG 56 2HH1 ARG 56 -9.523 -8.751 -9.385 358 2HH2 ARG 56 1HH1 ARG 56 -8.555 -9.641 -10.513 359 H SER 57 H SER 57 -5.962 -0.502 -9.590 360 HA SER 57 HA SER 57 -7.014 1.225 -11.616 361 1HB SER 57 1HB SER 57 -7.541 1.389 -9.118 362 2HB SER 57 2HB SER 57 -5.907 1.975 -8.878 363 HG SER 57 HG SER 57 -6.808 3.493 -10.837 364 H ALA 58 H ALA 58 -3.901 0.442 -10.024 365 HA ALA 58 HA ALA 58 -1.831 0.735 -10.855 366 1HB ALA 58 1HB ALA 58 -1.424 1.646 -12.964 367 2HB ALA 58 2HB ALA 58 -3.114 1.110 -13.124 368 3HB ALA 58 3HB ALA 58 -2.750 2.826 -12.825 369 H MET 59 H MET 59 -3.503 2.329 -8.841 370 HA MET 59 HA MET 59 -2.339 4.928 -8.954 371 1HB MET 59 1HB MET 59 -3.613 5.276 -6.860 372 2HB MET 59 2HB MET 59 -4.634 4.434 -8.009 373 1HG MET 59 1HG MET 59 -4.700 2.512 -6.745 374 2HG MET 59 2HG MET 59 -3.006 2.615 -6.311 375 1HE MET 59 1HE MET 59 -2.588 4.829 -3.563 376 2HE MET 59 2HE MET 59 -2.277 4.850 -5.316 377 3HE MET 59 3HE MET 59 -3.411 6.020 -4.598 378 H VAL 60 H VAL 60 -1.444 1.796 -7.724 379 HA VAL 60 HA VAL 60 0.814 3.048 -6.349 380 HB VAL 60 HB VAL 60 0.625 1.393 -4.550 381 1HG1 VAL 60 1HG1 VAL 60 -0.804 2.663 -3.287 382 2HG1 VAL 60 2HG1 VAL 60 -0.608 3.751 -4.682 383 3HG1 VAL 60 3HG1 VAL 60 -2.054 2.721 -4.553 384 1HG2 VAL 60 1HG2 VAL 60 -1.248 -0.047 -4.274 385 2HG2 VAL 60 2HG2 VAL 60 -2.129 0.720 -5.617 386 3HG2 VAL 60 3HG2 VAL 60 -0.689 -0.272 -5.948 387 H TYR 61 H TYR 61 2.636 1.414 -6.030 388 HA TYR 61 HA TYR 61 2.562 -0.572 -8.199 389 1HB TYR 61 1HB TYR 61 4.389 1.704 -7.442 390 2HB TYR 61 2HB TYR 61 5.225 0.218 -7.846 391 HD1 TYR 61 1HD TYR 61 6.236 0.715 -9.910 392 HD2 TYR 61 2HD TYR 61 2.078 1.557 -9.355 393 HE1 TYR 61 1HE TYR 61 6.010 1.265 -12.382 394 HE2 TYR 61 2HE TYR 61 1.866 2.104 -11.829 395 HH TYR 61 HH TYR 61 3.992 1.181 -14.066 396 H SER 62 H SER 62 5.089 -1.707 -7.750 397 HA SER 62 HA SER 62 4.816 -2.644 -5.002 398 1HB SER 62 1HB SER 62 3.959 -4.398 -6.437 399 2HB SER 62 2HB SER 62 5.317 -4.255 -7.536 400 HG SER 62 HG SER 62 6.272 -5.752 -6.354 401 H SER 63 H SER 63 6.959 -3.852 -4.303 402 HA SER 63 HA SER 63 9.089 -2.053 -5.010 403 1HB SER 63 1HB SER 63 8.610 -4.068 -2.808 404 2HB SER 63 2HB SER 63 10.250 -3.547 -3.139 405 HG SER 63 HG SER 63 8.010 -1.820 -2.504 406 H ASP 64 H ASP 64 8.021 -5.394 -5.498 407 HA ASP 64 HA ASP 64 8.713 -6.890 -6.932 408 1HB ASP 64 1HB ASP 64 11.231 -5.297 -7.541 409 2HB ASP 64 2HB ASP 64 10.439 -6.479 -8.564 410 H ASP 65 H ASP 65 9.326 -7.006 -4.158 411 HA ASP 65 HA ASP 65 11.434 -8.850 -4.188 412 1HB ASP 65 1HB ASP 65 13.109 -7.745 -2.939 413 2HB ASP 65 2HB ASP 65 12.606 -6.527 -4.094 414 H ILE 66 H ILE 66 11.964 -9.320 -1.598 415 HA ILE 66 HA ILE 66 9.340 -9.239 -0.285 416 HB ILE 66 HB ILE 66 11.585 -11.249 -0.152 417 1HG1 ILE 66 1HG1 ILE 66 9.413 -12.681 -0.767 418 2HG1 ILE 66 2HG1 ILE 66 8.893 -11.151 -1.443 419 1HG2 ILE 66 1HG2 ILE 66 10.412 -10.671 2.076 420 2HG2 ILE 66 2HG2 ILE 66 9.002 -11.499 1.373 421 3HG2 ILE 66 3HG2 ILE 66 10.534 -12.379 1.588 422 1HD1 ILE 66 1HD1 ILE 66 11.363 -12.771 -2.159 423 2HD1 ILE 66 2HD1 ILE 66 10.043 -12.236 -3.226 424 3HD1 ILE 66 3HD1 ILE 66 11.216 -11.053 -2.600 425 HA PRO 67 HA PRO 67 8.601 -9.546 1.467 426 1HB PRO 67 1HB PRO 67 7.172 -7.919 3.133 427 2HB PRO 67 2HB PRO 67 8.027 -9.344 3.687 428 1HG PRO 67 1HG PRO 67 8.763 -6.500 4.010 429 2HG PRO 67 2HG PRO 67 9.350 -7.893 4.896 430 1HD PRO 67 1HD PRO 67 10.730 -6.472 2.821 431 2HD PRO 67 2HD PRO 67 11.266 -7.933 3.627 432 HA PRO 68 HA PRO 68 6.505 -7.139 -1.336 433 1HB PRO 68 1HB PRO 68 3.854 -7.675 -0.949 434 2HB PRO 68 2HB PRO 68 4.932 -8.752 -1.813 435 1HG PRO 68 1HG PRO 68 3.834 -9.027 0.918 436 2HG PRO 68 2HG PRO 68 4.547 -10.256 -0.107 437 1HD PRO 68 1HD PRO 68 5.787 -8.955 2.128 438 2HD PRO 68 2HD PRO 68 6.538 -10.099 1.033 439 H ARG 69 H ARG 69 6.404 -5.002 -1.555 440 HA ARG 69 HA ARG 69 4.785 -3.706 0.478 441 1HB ARG 69 1HB ARG 69 7.341 -2.425 -0.563 442 2HB ARG 69 2HB ARG 69 6.434 -2.012 0.878 443 1HG ARG 69 1HG ARG 69 7.063 -4.199 1.910 444 2HG ARG 69 2HG ARG 69 7.952 -4.632 0.464 445 1HD ARG 69 1HD ARG 69 9.667 -3.775 1.826 446 2HD ARG 69 2HD ARG 69 9.252 -2.368 0.868 447 HE ARG 69 HE ARG 69 8.240 -1.367 2.766 448 1HH1 ARG 69 2HH2 ARG 69 9.180 -4.687 3.456 449 2HH1 ARG 69 1HH2 ARG 69 8.959 -4.529 5.167 450 1HH2 ARG 69 2HH1 ARG 69 7.949 -1.157 5.023 451 2HH2 ARG 69 1HH1 ARG 69 8.254 -2.508 6.064 452 H TRP 70 H TRP 70 3.524 -1.953 -0.304 453 HA TRP 70 HA TRP 70 3.462 -1.731 -3.201 454 1HB TRP 70 1HB TRP 70 1.585 -0.585 -1.127 455 2HB TRP 70 2HB TRP 70 1.337 -0.615 -2.862 456 HD1 TRP 70 HD TRP 70 1.861 -3.285 -0.043 457 HE1 TRP 70 1HE TRP 70 0.387 -5.423 -0.518 458 HE3 TRP 70 3HE TRP 70 -0.016 -1.652 -4.478 459 HZ2 TRP 70 2HZ TRP 70 -1.359 -6.173 -2.647 460 HZ3 TRP 70 3HZ TRP 70 -1.599 -3.148 -5.690 461 HH2 TRP 70 HH TRP 70 -2.275 -5.339 -4.843 462 H PHE 71 H PHE 71 4.526 -0.089 -4.222 463 HA PHE 71 HA PHE 71 5.303 2.200 -2.565 464 1HB PHE 71 1HB PHE 71 6.395 0.725 -5.004 465 2HB PHE 71 2HB PHE 71 6.867 2.394 -4.756 466 HD1 PHE 71 1HD PHE 71 6.293 0.697 -1.676 467 HD2 PHE 71 2HD PHE 71 9.185 1.297 -4.724 468 HE1 PHE 71 1HE PHE 71 8.104 -0.047 -0.105 469 HE2 PHE 71 2HE PHE 71 10.995 0.553 -3.152 470 HZ PHE 71 HZ PHE 71 10.433 -0.110 -0.862 471 H MET 72 H MET 72 5.936 4.057 -4.525 472 HA MET 72 HA MET 72 3.334 4.442 -5.793 473 1HB MET 72 1HB MET 72 4.821 6.070 -3.939 474 2HB MET 72 2HB MET 72 4.886 6.902 -5.481 475 1HG MET 72 1HG MET 72 2.307 6.493 -5.606 476 2HG MET 72 2HG MET 72 2.411 6.088 -3.904 477 1HE MET 72 1HE MET 72 2.275 10.107 -5.822 478 2HE MET 72 2HE MET 72 3.651 9.147 -6.416 479 3HE MET 72 3HE MET 72 2.002 8.481 -6.493 480 H THR 73 H THR 73 3.777 3.637 -7.865 481 HA THR 73 HA THR 73 5.004 3.318 -9.762 482 HB THR 73 HB THR 73 3.330 5.216 -10.040 483 HG1 THR 73 1HG THR 73 4.956 4.278 -11.686 484 1HG2 THR 73 1HG2 THR 73 3.999 7.473 -9.960 485 2HG2 THR 73 2HG2 THR 73 4.922 6.813 -8.588 486 3HG2 THR 73 3HG2 THR 73 5.722 7.069 -10.158 487 H THR 74 H THR 74 7.016 2.505 -9.105 488 HA THR 74 HA THR 74 9.192 4.244 -9.746 489 HB THR 74 HB THR 74 8.615 4.831 -7.319 490 HG1 THR 74 1HG THR 74 10.785 5.043 -8.189 491 1HG2 THR 74 1HG2 THR 74 9.524 1.929 -6.972 492 2HG2 THR 74 2HG2 THR 74 9.567 3.129 -5.657 493 3HG2 THR 74 3HG2 THR 74 8.011 2.656 -6.380 Start of MODEL 10 1 H ARG 13 H ARG 13 -10.610 9.855 -4.164 2 HA ARG 13 HA ARG 13 -10.012 11.918 -2.494 3 1HB ARG 13 1HB ARG 13 -11.697 12.978 -4.356 4 2HB ARG 13 2HB ARG 13 -12.896 12.334 -3.253 5 1HG ARG 13 1HG ARG 13 -12.282 14.702 -2.715 6 2HG ARG 13 2HG ARG 13 -11.960 13.611 -1.382 7 1HD ARG 13 1HD ARG 13 -9.657 13.831 -1.566 8 2HD ARG 13 2HD ARG 13 -9.699 13.991 -3.310 9 HE ARG 13 HE ARG 13 -10.952 16.302 -2.223 10 1HH1 ARG 13 2HH2 ARG 13 -7.765 14.811 -2.306 11 2HH1 ARG 13 1HH2 ARG 13 -6.918 16.315 -2.158 12 1HH2 ARG 13 2HH1 ARG 13 -9.834 18.286 -2.029 13 2HH2 ARG 13 1HH1 ARG 13 -8.102 18.304 -1.999 14 H SER 14 H SER 14 -9.867 10.025 -1.132 15 HA SER 14 HA SER 14 -11.989 9.532 0.466 16 1HB SER 14 1HB SER 14 -12.243 8.073 -2.030 17 2HB SER 14 2HB SER 14 -12.012 6.930 -0.721 18 HG SER 14 HG SER 14 -13.923 9.086 -0.531 19 H ASN 15 H ASN 15 -10.113 6.860 -1.082 20 HA ASN 15 HA ASN 15 -8.538 6.771 1.371 21 1HB ASN 15 1HB ASN 15 -10.174 4.799 0.611 22 2HB ASN 15 2HB ASN 15 -8.874 4.396 -0.494 23 1HD2 ASN 15 1HD2 ASN 15 -9.491 2.542 1.256 24 2HD2 ASN 15 2HD2 ASN 15 -8.331 2.392 2.533 25 H ALA 16 H ALA 16 -8.624 6.213 -2.212 26 HA ALA 16 HA ALA 16 -6.081 5.518 -2.757 27 1HB ALA 16 1HB ALA 16 -6.475 7.049 -4.857 28 2HB ALA 16 2HB ALA 16 -7.538 5.650 -4.578 29 3HB ALA 16 3HB ALA 16 -8.091 7.287 -4.149 30 H GLU 17 H GLU 17 -7.311 8.834 -2.019 31 HA GLU 17 HA GLU 17 -4.823 10.045 -2.451 32 1HB GLU 17 1HB GLU 17 -5.849 12.025 -1.442 33 2HB GLU 17 2HB GLU 17 -6.998 11.256 -2.519 34 1HG GLU 17 1HG GLU 17 -8.419 11.422 -0.727 35 2HG GLU 17 2HG GLU 17 -7.620 9.957 -0.193 36 H ILE 18 H ILE 18 -6.443 8.564 0.378 37 HA ILE 18 HA ILE 18 -4.550 9.539 2.258 38 HB ILE 18 HB ILE 18 -6.756 7.512 2.273 39 1HG1 ILE 18 1HG1 ILE 18 -7.291 9.919 2.427 40 2HG1 ILE 18 2HG1 ILE 18 -7.773 9.020 3.852 41 1HG2 ILE 18 1HG2 ILE 18 -5.323 6.349 3.668 42 2HG2 ILE 18 2HG2 ILE 18 -4.567 7.829 4.306 43 3HG2 ILE 18 3HG2 ILE 18 -6.214 7.382 4.812 44 1HD1 ILE 18 1HD1 ILE 18 -5.576 11.046 3.532 45 2HD1 ILE 18 2HD1 ILE 18 -6.717 10.813 4.878 46 3HD1 ILE 18 3HD1 ILE 18 -5.319 9.726 4.698 47 H VAL 19 H VAL 19 -5.044 6.402 0.517 48 HA VAL 19 HA VAL 19 -2.945 5.036 1.679 49 HB VAL 19 HB VAL 19 -3.783 4.769 -1.202 50 1HG1 VAL 19 1HG1 VAL 19 -2.700 2.818 -1.140 51 2HG1 VAL 19 2HG1 VAL 19 -2.053 3.298 0.447 52 3HG1 VAL 19 3HG1 VAL 19 -3.543 2.329 0.350 53 1HG2 VAL 19 1HG2 VAL 19 -5.466 4.607 1.167 54 2HG2 VAL 19 2HG2 VAL 19 -5.910 4.534 -0.555 55 3HG2 VAL 19 3HG2 VAL 19 -5.406 3.055 0.297 56 H CYS 20 H CYS 20 -3.010 7.339 -1.088 57 HA CYS 20 HA CYS 20 -0.319 6.916 -1.787 58 1HB CYS 20 1HB CYS 20 -2.107 7.913 -3.264 59 2HB CYS 20 2HB CYS 20 -1.992 9.389 -2.326 60 HG CYS 20 HG CYS 20 0.442 7.789 -3.908 61 H GLU 21 H GLU 21 -1.970 9.741 -0.170 62 HA GLU 21 HA GLU 21 0.166 11.150 0.550 63 1HB GLU 21 1HB GLU 21 -2.534 10.708 1.743 64 2HB GLU 21 2HB GLU 21 -1.361 11.462 2.806 65 1HG GLU 21 1HG GLU 21 -1.084 12.721 0.239 66 2HG GLU 21 2HG GLU 21 -2.801 12.635 0.579 67 H ALA 22 H ALA 22 -0.794 8.001 1.816 68 HA ALA 22 HA ALA 22 0.849 8.189 4.160 69 1HB ALA 22 1HB ALA 22 -0.075 5.564 3.063 70 2HB ALA 22 2HB ALA 22 -0.125 6.188 4.729 71 3HB ALA 22 3HB ALA 22 -1.329 6.735 3.537 72 H ILE 23 H ILE 23 0.940 6.036 1.224 73 HA ILE 23 HA ILE 23 3.504 5.118 1.650 74 HB ILE 23 HB ILE 23 1.860 4.140 0.124 75 1HG1 ILE 23 1HG1 ILE 23 4.427 3.827 -0.020 76 2HG1 ILE 23 2HG1 ILE 23 3.418 3.232 -1.324 77 1HG2 ILE 23 1HG2 ILE 23 2.262 5.512 -2.281 78 2HG2 ILE 23 2HG2 ILE 23 0.775 5.448 -1.305 79 3HG2 ILE 23 3HG2 ILE 23 1.937 6.776 -1.071 80 1HD1 ILE 23 1HD1 ILE 23 4.336 4.667 -2.832 81 2HD1 ILE 23 2HD1 ILE 23 4.195 6.049 -1.719 82 3HD1 ILE 23 3HD1 ILE 23 5.594 4.955 -1.607 83 H LYS 24 H LYS 24 2.399 8.280 0.739 84 HA LYS 24 HA LYS 24 4.888 8.982 -0.547 85 1HB LYS 24 1HB LYS 24 2.282 9.872 -0.772 86 2HB LYS 24 2HB LYS 24 3.033 11.145 0.169 87 1HG LYS 24 1HG LYS 24 4.172 10.037 -2.441 88 2HG LYS 24 2HG LYS 24 3.208 11.496 -2.327 89 1HD LYS 24 1HD LYS 24 5.240 11.788 -0.357 90 2HD LYS 24 2HD LYS 24 6.051 11.122 -1.761 91 1HE LYS 24 1HE LYS 24 6.146 13.337 -2.395 92 2HE LYS 24 2HE LYS 24 4.545 12.998 -3.022 93 1HZ LYS 24 1HZ LYS 24 4.552 14.947 -1.642 94 2HZ LYS 24 2HZ LYS 24 3.629 13.793 -0.947 95 3HZ LYS 24 3HZ LYS 24 5.120 14.107 -0.361 96 H THR 25 H THR 25 3.137 9.567 2.551 97 HA THR 25 HA THR 25 5.004 11.356 3.624 98 HB THR 25 HB THR 25 2.735 9.624 4.550 99 HG1 THR 25 1HG THR 25 2.106 11.755 5.151 100 1HG2 THR 25 1HG2 THR 25 4.459 9.176 6.324 101 2HG2 THR 25 2HG2 THR 25 4.737 10.928 6.470 102 3HG2 THR 25 3HG2 THR 25 3.162 10.236 6.926 103 H ILE 26 H ILE 26 4.994 7.811 3.349 104 HA ILE 26 HA ILE 26 7.038 7.410 5.259 105 HB ILE 26 HB ILE 26 5.988 5.734 2.981 106 1HG1 ILE 26 1HG1 ILE 26 5.562 4.953 5.801 107 2HG1 ILE 26 2HG1 ILE 26 4.749 6.427 5.315 108 1HG2 ILE 26 1HG2 ILE 26 8.463 5.403 4.102 109 2HG2 ILE 26 2HG2 ILE 26 7.448 4.367 5.134 110 3HG2 ILE 26 3HG2 ILE 26 7.479 4.111 3.373 111 1HD1 ILE 26 1HD1 ILE 26 4.610 3.964 3.550 112 2HD1 ILE 26 2HD1 ILE 26 3.524 4.142 4.948 113 3HD1 ILE 26 3HD1 ILE 26 3.485 5.341 3.633 114 H GLY 27 H GLY 27 7.716 6.113 2.066 115 1HA GLY 27 1HA GLY 27 9.241 7.874 0.767 116 2HA GLY 27 2HA GLY 27 10.299 7.447 2.097 117 H ILE 28 H ILE 28 10.841 5.110 2.434 118 HA ILE 28 HA ILE 28 10.716 3.675 -0.127 119 HB ILE 28 HB ILE 28 12.874 3.055 0.064 120 1HG1 ILE 28 1HG1 ILE 28 13.961 3.246 2.537 121 2HG1 ILE 28 2HG1 ILE 28 12.298 2.908 2.975 122 1HG2 ILE 28 1HG2 ILE 28 12.834 5.594 1.719 123 2HG2 ILE 28 2HG2 ILE 28 14.263 4.904 0.912 124 3HG2 ILE 28 3HG2 ILE 28 12.885 5.478 -0.057 125 1HD1 ILE 28 1HD1 ILE 28 14.216 1.212 1.364 126 2HD1 ILE 28 2HD1 ILE 28 13.183 0.746 2.738 127 3HD1 ILE 28 3HD1 ILE 28 12.462 1.017 1.133 128 H GLU 29 H GLU 29 9.851 3.760 3.231 129 HA GLU 29 HA GLU 29 9.790 0.998 3.670 130 1HB GLU 29 1HB GLU 29 9.245 3.382 5.138 131 2HB GLU 29 2HB GLU 29 7.786 2.415 5.227 132 1HG GLU 29 1HG GLU 29 8.951 0.540 6.183 133 2HG GLU 29 2HG GLU 29 10.520 1.182 5.741 134 H GLY 30 H GLY 30 8.047 2.888 1.501 135 1HA GLY 30 1HA GLY 30 5.994 2.736 0.533 136 2HA GLY 30 2HA GLY 30 6.453 1.049 0.418 137 H ALA 31 H ALA 31 4.171 0.456 0.559 138 HA ALA 31 HA ALA 31 3.190 0.615 3.326 139 1HB ALA 31 1HB ALA 31 2.049 1.808 1.068 140 2HB ALA 31 2HB ALA 31 1.114 0.309 1.286 141 3HB ALA 31 3HB ALA 31 1.235 1.484 2.618 142 H THR 32 H THR 32 4.157 -1.424 3.829 143 HA THR 32 HA THR 32 3.469 -3.691 2.160 144 HB THR 32 HB THR 32 5.725 -3.158 3.421 145 HG1 THR 32 1HG THR 32 5.877 -5.532 3.649 146 1HG2 THR 32 1HG2 THR 32 4.366 -2.986 5.691 147 2HG2 THR 32 2HG2 THR 32 4.347 -4.764 5.602 148 3HG2 THR 32 3HG2 THR 32 5.898 -3.892 5.673 149 H ALA 33 H ALA 33 2.551 -5.697 3.173 150 HA ALA 33 HA ALA 33 0.007 -5.196 4.092 151 1HB ALA 33 1HB ALA 33 -0.181 -7.527 4.240 152 2HB ALA 33 2HB ALA 33 1.155 -7.322 3.081 153 3HB ALA 33 3HB ALA 33 1.503 -7.729 4.779 154 H ALA 34 H ALA 34 2.867 -6.377 6.010 155 HA ALA 34 HA ALA 34 1.854 -6.518 8.463 156 1HB ALA 34 1HB ALA 34 4.308 -6.652 7.528 157 2HB ALA 34 2HB ALA 34 4.407 -4.959 8.066 158 3HB ALA 34 3HB ALA 34 4.040 -6.245 9.239 159 H GLN 35 H GLN 35 3.278 -3.402 7.230 160 HA GLN 35 HA GLN 35 2.355 -1.863 9.273 161 1HB GLN 35 1HB GLN 35 3.613 -1.471 6.732 162 2HB GLN 35 2HB GLN 35 2.275 -0.343 6.807 163 1HG GLN 35 1HG GLN 35 3.161 0.196 9.229 164 2HG GLN 35 2HG GLN 35 4.637 -0.585 8.699 165 1HE2 GLN 35 1HE2 GLN 35 2.240 1.820 7.636 166 2HE2 GLN 35 2HE2 GLN 35 3.350 2.932 6.907 167 H LEU 36 H LEU 36 0.717 -2.813 6.207 168 HA LEU 36 HA LEU 36 -1.522 -1.149 6.584 169 1HB LEU 36 1HB LEU 36 -0.755 -3.417 4.827 170 2HB LEU 36 2HB LEU 36 -2.469 -3.091 4.999 171 HG LEU 36 HG LEU 36 -1.661 -0.592 4.476 172 1HD1 LEU 36 1HD1 LEU 36 0.705 -1.100 4.354 173 2HD1 LEU 36 2HD1 LEU 36 0.407 -2.330 3.102 174 3HD1 LEU 36 3HD1 LEU 36 0.104 -0.611 2.751 175 1HD2 LEU 36 1HD2 LEU 36 -1.950 -1.362 1.943 176 2HD2 LEU 36 2HD2 LEU 36 -2.495 -2.862 2.733 177 3HD2 LEU 36 3HD2 LEU 36 -3.311 -1.320 3.090 178 H THR 37 H THR 37 -0.394 -3.849 8.326 179 HA THR 37 HA THR 37 -3.126 -4.523 9.189 180 HB THR 37 HB THR 37 -0.490 -6.070 9.421 181 HG1 THR 37 1HG THR 37 -2.931 -6.359 7.813 182 1HG2 THR 37 1HG2 THR 37 -1.646 -7.677 10.582 183 2HG2 THR 37 2HG2 THR 37 -2.865 -6.417 10.893 184 3HG2 THR 37 3HG2 THR 37 -3.061 -7.523 9.513 185 H ARG 38 H ARG 38 -0.222 -2.857 10.052 186 HA ARG 38 HA ARG 38 -0.788 -3.164 12.857 187 1HB ARG 38 1HB ARG 38 1.574 -2.862 11.448 188 2HB ARG 38 2HB ARG 38 1.302 -1.215 11.980 189 1HG ARG 38 1HG ARG 38 0.768 -3.094 14.161 190 2HG ARG 38 2HG ARG 38 2.374 -3.354 13.509 191 1HD ARG 38 1HD ARG 38 2.805 -0.856 13.726 192 2HD ARG 38 2HD ARG 38 1.246 -0.695 14.510 193 HE ARG 38 HE ARG 38 2.110 -1.738 16.446 194 1HH1 ARG 38 2HH2 ARG 38 4.400 -2.014 13.789 195 2HH1 ARG 38 1HH2 ARG 38 5.694 -2.576 14.794 196 1HH2 ARG 38 2HH1 ARG 38 3.816 -2.479 17.772 197 2HH2 ARG 38 1HH1 ARG 38 5.359 -2.842 17.075 198 H GLN 39 H GLN 39 -0.475 -0.543 10.355 199 HA GLN 39 HA GLN 39 -1.090 1.586 11.895 200 1HB GLN 39 1HB GLN 39 -0.768 1.080 9.171 201 2HB GLN 39 2HB GLN 39 -2.415 1.671 9.255 202 1HG GLN 39 1HG GLN 39 -1.539 3.767 9.309 203 2HG GLN 39 2HG GLN 39 -1.046 3.423 10.955 204 1HE2 GLN 39 1HE2 GLN 39 0.939 1.656 10.760 205 2HE2 GLN 39 2HE2 GLN 39 2.299 2.285 9.892 206 H LEU 40 H LEU 40 -3.235 -0.980 10.700 207 HA LEU 40 HA LEU 40 -5.536 0.487 11.765 208 1HB LEU 40 1HB LEU 40 -6.612 -1.653 10.538 209 2HB LEU 40 2HB LEU 40 -6.347 -0.095 9.781 210 HG LEU 40 HG LEU 40 -4.245 -2.252 9.650 211 1HD1 LEU 40 1HD1 LEU 40 -6.850 -2.553 8.636 212 2HD1 LEU 40 2HD1 LEU 40 -5.827 -2.130 7.241 213 3HD1 LEU 40 3HD1 LEU 40 -5.410 -3.529 8.260 214 1HD2 LEU 40 1HD2 LEU 40 -3.135 -0.771 8.433 215 2HD2 LEU 40 2HD2 LEU 40 -4.501 -0.633 7.299 216 3HD2 LEU 40 3HD2 LEU 40 -4.424 0.420 8.732 217 H ASN 41 H ASN 41 -4.792 -3.042 11.457 218 HA ASN 41 HA ASN 41 -4.229 -3.533 14.061 219 1HB ASN 41 1HB ASN 41 -7.013 -2.846 13.757 220 2HB ASN 41 2HB ASN 41 -6.948 -4.570 14.067 221 1HD2 ASN 41 1HD2 ASN 41 -4.902 -1.854 15.121 222 2HD2 ASN 41 2HD2 ASN 41 -5.074 -2.097 16.827 223 H MET 42 H MET 42 -6.233 -4.496 11.216 224 HA MET 42 HA MET 42 -4.781 -6.525 10.344 225 1HB MET 42 1HB MET 42 -6.075 -7.270 12.876 226 2HB MET 42 2HB MET 42 -6.642 -8.313 11.588 227 1HG MET 42 1HG MET 42 -4.334 -8.931 10.993 228 2HG MET 42 2HG MET 42 -3.685 -7.764 12.127 229 1HE MET 42 1HE MET 42 -2.390 -10.395 13.728 230 2HE MET 42 2HE MET 42 -3.328 -11.633 12.860 231 3HE MET 42 3HE MET 42 -2.673 -10.232 11.979 232 H GLU 43 H GLU 43 -6.598 -4.569 9.394 233 HA GLU 43 HA GLU 43 -8.950 -6.056 8.624 234 1HB GLU 43 1HB GLU 43 -8.550 -3.398 9.274 235 2HB GLU 43 2HB GLU 43 -8.555 -3.325 7.524 236 1HG GLU 43 1HG GLU 43 -10.802 -3.641 7.443 237 2HG GLU 43 2HG GLU 43 -10.692 -5.088 8.426 238 H LYS 44 H LYS 44 -6.918 -7.400 7.534 239 HA LYS 44 HA LYS 44 -5.771 -6.470 5.212 240 1HB LYS 44 1HB LYS 44 -5.251 -8.578 6.519 241 2HB LYS 44 2HB LYS 44 -6.627 -9.327 5.734 242 1HG LYS 44 1HG LYS 44 -5.521 -9.561 3.746 243 2HG LYS 44 2HG LYS 44 -4.860 -7.940 3.815 244 1HD LYS 44 1HD LYS 44 -2.853 -8.742 4.496 245 2HD LYS 44 2HD LYS 44 -3.595 -9.503 5.890 246 1HE LYS 44 1HE LYS 44 -4.373 -11.239 3.890 247 2HE LYS 44 2HE LYS 44 -2.830 -10.694 3.262 248 1HZ LYS 44 1HZ LYS 44 -3.354 -11.994 5.831 249 2HZ LYS 44 2HZ LYS 44 -2.363 -12.489 4.632 250 3HZ LYS 44 3HZ LYS 44 -1.956 -11.199 5.546 251 H ARG 45 H ARG 45 -9.100 -7.159 5.913 252 HA ARG 45 HA ARG 45 -9.875 -7.902 3.341 253 1HB ARG 45 1HB ARG 45 -11.206 -7.018 5.869 254 2HB ARG 45 2HB ARG 45 -12.136 -6.725 4.413 255 1HG ARG 45 1HG ARG 45 -12.511 -8.959 4.040 256 2HG ARG 45 2HG ARG 45 -10.881 -9.415 4.494 257 1HD ARG 45 1HD ARG 45 -11.743 -8.729 6.952 258 2HD ARG 45 2HD ARG 45 -13.313 -9.064 6.248 259 HE ARG 45 HE ARG 45 -11.441 -11.189 5.633 260 1HH1 ARG 45 2HH2 ARG 45 -13.476 -9.916 8.207 261 2HH1 ARG 45 1HH2 ARG 45 -13.647 -11.446 9.002 262 1HH2 ARG 45 2HH1 ARG 45 -11.667 -13.207 6.682 263 2HH2 ARG 45 1HH1 ARG 45 -12.611 -13.330 8.128 264 H GLU 46 H GLU 46 -9.854 -4.744 5.129 265 HA GLU 46 HA GLU 46 -10.920 -3.322 2.948 266 1HB GLU 46 1HB GLU 46 -10.805 -1.456 4.341 267 2HB GLU 46 2HB GLU 46 -10.848 -2.750 5.521 268 1HG GLU 46 1HG GLU 46 -8.344 -2.702 5.655 269 2HG GLU 46 2HG GLU 46 -8.311 -1.396 4.488 270 H VAL 47 H VAL 47 -7.615 -4.011 4.182 271 HA VAL 47 HA VAL 47 -6.325 -2.227 2.401 272 HB VAL 47 HB VAL 47 -4.384 -2.978 3.350 273 1HG1 VAL 47 1HG1 VAL 47 -4.774 -2.738 5.561 274 2HG1 VAL 47 2HG1 VAL 47 -6.469 -2.534 5.057 275 3HG1 VAL 47 3HG1 VAL 47 -5.893 -4.121 5.620 276 1HG2 VAL 47 1HG2 VAL 47 -5.704 -5.679 3.397 277 2HG2 VAL 47 2HG2 VAL 47 -4.142 -5.189 2.700 278 3HG2 VAL 47 3HG2 VAL 47 -4.317 -5.352 4.464 279 H ASN 48 H ASN 48 -7.604 -5.518 2.192 280 HA ASN 48 HA ASN 48 -6.047 -6.313 0.017 281 1HB ASN 48 1HB ASN 48 -8.520 -7.249 1.420 282 2HB ASN 48 2HB ASN 48 -8.398 -7.754 -0.254 283 1HD2 ASN 48 1HD2 ASN 48 -5.640 -7.079 1.808 284 2HD2 ASN 48 2HD2 ASN 48 -5.035 -8.696 1.941 285 H LYS 49 H LYS 49 -9.500 -5.168 0.320 286 HA LYS 49 HA LYS 49 -9.959 -5.035 -2.440 287 1HB LYS 49 1HB LYS 49 -11.490 -4.883 -0.182 288 2HB LYS 49 2HB LYS 49 -11.495 -3.208 -0.695 289 1HG LYS 49 1HG LYS 49 -12.115 -4.030 -3.045 290 2HG LYS 49 2HG LYS 49 -12.319 -5.630 -2.359 291 1HD LYS 49 1HD LYS 49 -13.730 -3.464 -0.875 292 2HD LYS 49 2HD LYS 49 -14.311 -3.718 -2.508 293 1HE LYS 49 1HE LYS 49 -13.923 -6.028 -0.556 294 2HE LYS 49 2HE LYS 49 -15.423 -5.124 -0.638 295 1HZ LYS 49 1HZ LYS 49 -15.976 -6.251 -2.429 296 2HZ LYS 49 2HZ LYS 49 -14.602 -5.849 -3.216 297 3HZ LYS 49 3HZ LYS 49 -14.641 -7.179 -2.269 298 H ALA 50 H ALA 50 -8.325 -2.903 -0.153 299 HA ALA 50 HA ALA 50 -8.494 -0.604 -1.853 300 1HB ALA 50 1HB ALA 50 -8.326 -0.564 0.662 301 2HB ALA 50 2HB ALA 50 -6.655 -1.156 0.507 302 3HB ALA 50 3HB ALA 50 -7.103 0.431 -0.164 303 H LEU 51 H LEU 51 -6.203 -3.286 -1.209 304 HA LEU 51 HA LEU 51 -4.102 -2.133 -2.730 305 1HB LEU 51 1HB LEU 51 -4.665 -4.807 -1.502 306 2HB LEU 51 2HB LEU 51 -3.347 -4.636 -2.644 307 HG LEU 51 HG LEU 51 -3.657 -3.067 -0.069 308 1HD1 LEU 51 1HD1 LEU 51 -1.337 -4.568 0.093 309 2HD1 LEU 51 2HD1 LEU 51 -2.884 -4.918 0.902 310 3HD1 LEU 51 3HD1 LEU 51 -2.503 -5.682 -0.660 311 1HD2 LEU 51 1HD2 LEU 51 -1.873 -2.761 -2.397 312 2HD2 LEU 51 2HD2 LEU 51 -2.345 -1.593 -1.139 313 3HD2 LEU 51 3HD2 LEU 51 -1.055 -2.775 -0.816 314 H TYR 52 H TYR 52 -6.794 -4.428 -3.377 315 HA TYR 52 HA TYR 52 -5.946 -5.130 -5.962 316 1HB TYR 52 1HB TYR 52 -8.608 -4.966 -4.433 317 2HB TYR 52 2HB TYR 52 -8.543 -5.627 -6.054 318 HD1 TYR 52 1HD TYR 52 -8.833 -6.616 -2.827 319 HD2 TYR 52 2HD TYR 52 -6.307 -7.362 -6.199 320 HE1 TYR 52 1HE TYR 52 -8.230 -8.897 -1.880 321 HE2 TYR 52 2HE TYR 52 -5.712 -9.640 -5.240 322 HH TYR 52 HH TYR 52 -5.639 -10.640 -2.894 323 H ASP 53 H ASP 53 -8.559 -2.837 -4.880 324 HA ASP 53 HA ASP 53 -9.238 -1.923 -7.326 325 1HB ASP 53 1HB ASP 53 -10.018 -1.338 -4.820 326 2HB ASP 53 2HB ASP 53 -8.983 0.056 -5.058 327 H LEU 54 H LEU 54 -6.771 -0.556 -5.014 328 HA LEU 54 HA LEU 54 -5.904 1.513 -6.647 329 1HB LEU 54 1HB LEU 54 -4.642 -0.031 -4.396 330 2HB LEU 54 2HB LEU 54 -3.778 1.250 -5.222 331 HG LEU 54 HG LEU 54 -6.238 1.439 -3.497 332 1HD1 LEU 54 1HD1 LEU 54 -4.960 3.050 -2.261 333 2HD1 LEU 54 2HD1 LEU 54 -3.960 1.597 -2.498 334 3HD1 LEU 54 3HD1 LEU 54 -3.672 3.047 -3.489 335 1HD2 LEU 54 1HD2 LEU 54 -5.458 3.236 -5.750 336 2HD2 LEU 54 2HD2 LEU 54 -7.069 2.799 -5.130 337 3HD2 LEU 54 3HD2 LEU 54 -6.064 3.975 -4.249 338 H GLN 55 H GLN 55 -4.820 -1.919 -6.377 339 HA GLN 55 HA GLN 55 -2.630 -1.769 -7.971 340 1HB GLN 55 1HB GLN 55 -3.257 -3.786 -6.724 341 2HB GLN 55 2HB GLN 55 -4.680 -4.011 -7.721 342 1HG GLN 55 1HG GLN 55 -2.450 -3.788 -9.512 343 2HG GLN 55 2HG GLN 55 -1.957 -4.876 -8.230 344 1HE2 GLN 55 1HE2 GLN 55 -2.741 -5.197 -11.125 345 2HE2 GLN 55 2HE2 GLN 55 -3.915 -6.470 -11.153 346 H ARG 56 H ARG 56 -6.066 -2.393 -8.971 347 HA ARG 56 HA ARG 56 -5.383 -2.471 -11.690 348 1HB ARG 56 1HB ARG 56 -7.942 -2.372 -10.086 349 2HB ARG 56 2HB ARG 56 -8.043 -2.013 -11.798 350 1HG ARG 56 1HG ARG 56 -8.414 -4.436 -11.342 351 2HG ARG 56 2HG ARG 56 -7.018 -4.178 -12.369 352 1HD ARG 56 1HD ARG 56 -5.489 -4.768 -10.691 353 2HD ARG 56 2HD ARG 56 -6.551 -4.267 -9.391 354 HE ARG 56 HE ARG 56 -6.441 -6.898 -10.599 355 1HH1 ARG 56 2HH2 ARG 56 -8.650 -4.605 -9.101 356 2HH1 ARG 56 1HH2 ARG 56 -9.758 -5.825 -8.567 357 1HH2 ARG 56 2HH1 ARG 56 -7.902 -8.508 -9.895 358 2HH2 ARG 56 1HH1 ARG 56 -9.329 -8.060 -9.022 359 H SER 57 H SER 57 -5.848 0.075 -9.380 360 HA SER 57 HA SER 57 -6.784 1.984 -11.276 361 1HB SER 57 1HB SER 57 -5.701 2.335 -8.445 362 2HB SER 57 2HB SER 57 -6.466 3.601 -9.386 363 HG SER 57 HG SER 57 -8.303 2.882 -8.564 364 H ALA 58 H ALA 58 -3.703 0.782 -10.018 365 HA ALA 58 HA ALA 58 -1.635 1.105 -10.784 366 1HB ALA 58 1HB ALA 58 -1.268 2.038 -12.858 367 2HB ALA 58 2HB ALA 58 -3.030 1.810 -12.963 368 3HB ALA 58 3HB ALA 58 -2.363 3.409 -12.556 369 H MET 59 H MET 59 -3.340 2.790 -8.738 370 HA MET 59 HA MET 59 -1.921 5.244 -8.651 371 1HB MET 59 1HB MET 59 -4.157 5.244 -7.749 372 2HB MET 59 2HB MET 59 -3.887 3.766 -6.847 373 1HG MET 59 1HG MET 59 -3.904 5.790 -5.367 374 2HG MET 59 2HG MET 59 -2.386 4.920 -5.281 375 1HE MET 59 1HE MET 59 -2.803 8.863 -5.132 376 2HE MET 59 2HE MET 59 -3.597 8.857 -6.725 377 3HE MET 59 3HE MET 59 -4.163 7.758 -5.443 378 H VAL 60 H VAL 60 -1.336 1.989 -7.569 379 HA VAL 60 HA VAL 60 0.984 2.963 -6.081 380 HB VAL 60 HB VAL 60 0.556 1.128 -4.419 381 1HG1 VAL 60 1HG1 VAL 60 -0.232 3.743 -4.421 382 2HG1 VAL 60 2HG1 VAL 60 -1.772 2.917 -4.082 383 3HG1 VAL 60 3HG1 VAL 60 -0.365 2.646 -3.026 384 1HG2 VAL 60 1HG2 VAL 60 -1.928 0.901 -6.057 385 2HG2 VAL 60 2HG2 VAL 60 -0.999 -0.351 -5.199 386 3HG2 VAL 60 3HG2 VAL 60 -2.088 0.726 -4.293 387 H TYR 61 H TYR 61 2.712 1.297 -5.915 388 HA TYR 61 HA TYR 61 2.446 -0.715 -8.046 389 1HB TYR 61 1HB TYR 61 4.406 1.491 -7.419 390 2HB TYR 61 2HB TYR 61 5.153 -0.035 -7.847 391 HD1 TYR 61 1HD TYR 61 6.063 0.367 -9.974 392 HD2 TYR 61 2HD TYR 61 1.998 1.452 -9.198 393 HE1 TYR 61 1HE TYR 61 5.727 0.899 -12.437 394 HE2 TYR 61 2HE TYR 61 1.676 1.981 -11.664 395 HH TYR 61 HH TYR 61 3.597 0.908 -14.001 396 H SER 62 H SER 62 4.903 -1.986 -7.721 397 HA SER 62 HA SER 62 4.780 -2.829 -4.932 398 1HB SER 62 1HB SER 62 4.038 -4.361 -7.180 399 2HB SER 62 2HB SER 62 5.641 -4.943 -6.778 400 HG SER 62 HG SER 62 4.752 -6.029 -5.174 401 H SER 63 H SER 63 6.866 -3.940 -4.202 402 HA SER 63 HA SER 63 9.056 -2.430 -5.280 403 1HB SER 63 1HB SER 63 8.891 -4.331 -2.899 404 2HB SER 63 2HB SER 63 10.304 -3.380 -3.313 405 HG SER 63 HG SER 63 8.966 -1.437 -3.060 406 H ASP 64 H ASP 64 7.594 -5.519 -5.696 407 HA ASP 64 HA ASP 64 8.144 -7.303 -6.796 408 1HB ASP 64 1HB ASP 64 10.194 -5.358 -7.852 409 2HB ASP 64 2HB ASP 64 10.399 -7.052 -8.254 410 H ASP 65 H ASP 65 9.336 -6.630 -4.069 411 HA ASP 65 HA ASP 65 11.305 -8.733 -4.102 412 1HB ASP 65 1HB ASP 65 11.898 -5.890 -3.648 413 2HB ASP 65 2HB ASP 65 12.325 -6.851 -2.246 414 H ILE 66 H ILE 66 11.883 -9.242 -1.627 415 HA ILE 66 HA ILE 66 9.369 -9.037 -0.146 416 HB ILE 66 HB ILE 66 11.679 -10.969 -0.005 417 1HG1 ILE 66 1HG1 ILE 66 9.521 -12.499 -0.390 418 2HG1 ILE 66 2HG1 ILE 66 8.913 -11.032 -1.132 419 1HG2 ILE 66 1HG2 ILE 66 9.201 -11.207 1.683 420 2HG2 ILE 66 2HG2 ILE 66 10.786 -11.994 1.875 421 3HG2 ILE 66 3HG2 ILE 66 10.602 -10.263 2.246 422 1HD1 ILE 66 1HD1 ILE 66 11.458 -12.541 -1.864 423 2HD1 ILE 66 2HD1 ILE 66 10.009 -12.308 -2.870 424 3HD1 ILE 66 3HD1 ILE 66 11.067 -10.925 -2.499 425 HA PRO 67 HA PRO 67 8.735 -9.271 1.667 426 1HB PRO 67 1HB PRO 67 7.330 -7.599 3.310 427 2HB PRO 67 2HB PRO 67 8.271 -8.955 3.900 428 1HG PRO 67 1HG PRO 67 8.905 -6.069 4.012 429 2HG PRO 67 2HG PRO 67 9.595 -7.382 4.946 430 1HD PRO 67 1HD PRO 67 10.804 -6.041 2.716 431 2HD PRO 67 2HD PRO 67 11.442 -7.428 3.577 432 HA PRO 68 HA PRO 68 6.408 -7.126 -1.164 433 1HB PRO 68 1HB PRO 68 3.808 -7.769 -0.626 434 2HB PRO 68 2HB PRO 68 4.902 -8.837 -1.482 435 1HG PRO 68 1HG PRO 68 3.941 -9.017 1.308 436 2HG PRO 68 2HG PRO 68 4.671 -10.264 0.315 437 1HD PRO 68 1HD PRO 68 5.939 -8.784 2.420 438 2HD PRO 68 2HD PRO 68 6.698 -9.947 1.351 439 H ARG 69 H ARG 69 6.622 -4.971 -1.181 440 HA ARG 69 HA ARG 69 4.809 -3.659 0.682 441 1HB ARG 69 1HB ARG 69 7.470 -2.502 -0.272 442 2HB ARG 69 2HB ARG 69 6.447 -1.879 1.006 443 1HG ARG 69 1HG ARG 69 6.809 -4.234 2.133 444 2HG ARG 69 2HG ARG 69 8.154 -4.391 1.020 445 1HD ARG 69 1HD ARG 69 8.881 -2.020 1.898 446 2HD ARG 69 2HD ARG 69 7.771 -2.326 3.219 447 HE ARG 69 HE ARG 69 9.480 -4.614 2.855 448 1HH1 ARG 69 2HH2 ARG 69 9.541 -1.311 4.067 449 2HH1 ARG 69 1HH2 ARG 69 10.837 -1.607 5.178 450 1HH2 ARG 69 2HH1 ARG 69 11.189 -5.006 4.320 451 2HH2 ARG 69 1HH1 ARG 69 11.781 -3.723 5.323 452 H TRP 70 H TRP 70 3.503 -2.015 -0.202 453 HA TRP 70 HA TRP 70 3.574 -1.806 -3.089 454 1HB TRP 70 1HB TRP 70 1.622 -0.706 -1.059 455 2HB TRP 70 2HB TRP 70 1.443 -0.620 -2.800 456 HD1 TRP 70 HD TRP 70 1.659 -3.381 -0.049 457 HE1 TRP 70 1HE TRP 70 0.264 -5.506 -0.757 458 HE3 TRP 70 3HE TRP 70 0.404 -1.666 -4.668 459 HZ2 TRP 70 2HZ TRP 70 -1.176 -6.215 -3.117 460 HZ3 TRP 70 3HZ TRP 70 -1.000 -3.137 -6.111 461 HH2 TRP 70 HH TRP 70 -1.785 -5.340 -5.402 462 H PHE 71 H PHE 71 4.633 -0.163 -4.118 463 HA PHE 71 HA PHE 71 5.350 2.158 -2.475 464 1HB PHE 71 1HB PHE 71 6.542 0.636 -4.837 465 2HB PHE 71 2HB PHE 71 6.989 2.316 -4.616 466 HD1 PHE 71 1HD PHE 71 6.314 0.630 -1.535 467 HD2 PHE 71 2HD PHE 71 9.321 1.307 -4.452 468 HE1 PHE 71 1HE PHE 71 8.074 -0.055 0.119 469 HE2 PHE 71 2HE PHE 71 11.080 0.621 -2.798 470 HZ PHE 71 HZ PHE 71 10.435 -0.051 -0.532 471 H MET 72 H MET 72 6.058 3.958 -4.484 472 HA MET 72 HA MET 72 3.476 4.337 -5.791 473 1HB MET 72 1HB MET 72 4.242 6.833 -5.726 474 2HB MET 72 2HB MET 72 3.784 6.114 -4.195 475 1HG MET 72 1HG MET 72 6.011 5.965 -3.434 476 2HG MET 72 2HG MET 72 6.677 5.926 -5.055 477 1HE MET 72 1HE MET 72 6.686 9.517 -6.254 478 2HE MET 72 2HE MET 72 7.728 8.077 -6.162 479 3HE MET 72 3HE MET 72 6.052 7.927 -6.741 480 H THR 73 H THR 73 3.839 3.475 -7.843 481 HA THR 73 HA THR 73 5.023 3.020 -9.738 482 HB THR 73 HB THR 73 3.486 4.977 -10.123 483 HG1 THR 73 1HG THR 73 4.834 4.115 -11.857 484 1HG2 THR 73 1HG2 THR 73 4.236 7.216 -10.029 485 2HG2 THR 73 2HG2 THR 73 5.031 6.527 -8.593 486 3HG2 THR 73 3HG2 THR 73 5.950 6.743 -10.102 487 H THR 74 H THR 74 6.978 2.086 -9.072 488 HA THR 74 HA THR 74 9.239 3.969 -9.206 489 HB THR 74 HB THR 74 10.299 2.183 -7.592 490 HG1 THR 74 1HG THR 74 8.754 0.581 -7.416 491 1HG2 THR 74 1HG2 THR 74 9.832 3.635 -5.880 492 2HG2 THR 74 2HG2 THR 74 8.857 4.547 -7.058 493 3HG2 THR 74 3HG2 THR 74 8.084 3.329 -6.015 Start of MODEL 11 1 H ARG 13 H ARG 13 -11.006 8.110 -2.600 2 HA ARG 13 HA ARG 13 -10.768 9.840 -1.326 3 1HB ARG 13 1HB ARG 13 -13.492 10.274 -2.419 4 2HB ARG 13 2HB ARG 13 -13.241 11.083 -0.885 5 1HG ARG 13 1HG ARG 13 -11.280 11.311 -3.212 6 2HG ARG 13 2HG ARG 13 -12.609 12.430 -2.979 7 1HD ARG 13 1HD ARG 13 -11.401 12.330 -0.442 8 2HD ARG 13 2HD ARG 13 -10.036 12.258 -1.539 9 HE ARG 13 HE ARG 13 -10.509 14.449 -2.271 10 1HH1 ARG 13 2HH2 ARG 13 -13.176 13.226 -0.328 11 2HH1 ARG 13 1HH2 ARG 13 -13.964 14.764 -0.211 12 1HH2 ARG 13 2HH1 ARG 13 -11.547 16.478 -2.116 13 2HH2 ARG 13 1HH1 ARG 13 -13.031 16.627 -1.235 14 H SER 14 H SER 14 -10.335 8.310 0.456 15 HA SER 14 HA SER 14 -11.782 8.893 2.726 16 1HB SER 14 1HB SER 14 -13.522 7.421 1.714 17 2HB SER 14 2HB SER 14 -12.362 6.111 1.614 18 HG SER 14 HG SER 14 -12.556 7.235 4.177 19 H ASN 15 H ASN 15 -10.277 5.873 1.340 20 HA ASN 15 HA ASN 15 -8.323 6.077 3.490 21 1HB ASN 15 1HB ASN 15 -8.019 3.521 2.472 22 2HB ASN 15 2HB ASN 15 -9.037 3.916 3.842 23 1HD2 ASN 15 1HD2 ASN 15 -8.889 2.665 0.726 24 2HD2 ASN 15 2HD2 ASN 15 -10.579 2.545 0.364 25 H ALA 16 H ALA 16 -8.861 5.138 0.018 26 HA ALA 16 HA ALA 16 -6.328 4.653 -0.799 27 1HB ALA 16 1HB ALA 16 -7.761 4.351 -2.538 28 2HB ALA 16 2HB ALA 16 -8.835 5.669 -2.011 29 3HB ALA 16 3HB ALA 16 -7.356 6.039 -2.931 30 H GLU 17 H GLU 17 -7.858 7.818 -0.089 31 HA GLU 17 HA GLU 17 -5.803 9.347 -1.187 32 1HB GLU 17 1HB GLU 17 -6.824 11.215 0.029 33 2HB GLU 17 2HB GLU 17 -8.077 10.215 -0.678 34 1HG GLU 17 1HG GLU 17 -8.302 9.017 1.551 35 2HG GLU 17 2HG GLU 17 -7.150 10.149 2.232 36 H ILE 18 H ILE 18 -6.455 8.133 2.159 37 HA ILE 18 HA ILE 18 -4.156 9.385 3.250 38 HB ILE 18 HB ILE 18 -6.139 7.340 4.183 39 1HG1 ILE 18 1HG1 ILE 18 -6.884 9.631 4.213 40 2HG1 ILE 18 2HG1 ILE 18 -6.633 9.085 5.859 41 1HG2 ILE 18 1HG2 ILE 18 -4.538 6.410 5.451 42 2HG2 ILE 18 2HG2 ILE 18 -3.420 7.777 5.232 43 3HG2 ILE 18 3HG2 ILE 18 -4.720 7.875 6.444 44 1HD1 ILE 18 1HD1 ILE 18 -5.263 11.225 4.372 45 2HD1 ILE 18 2HD1 ILE 18 -5.363 10.951 6.128 46 3HD1 ILE 18 3HD1 ILE 18 -4.125 10.109 5.165 47 H VAL 19 H VAL 19 -4.840 6.340 1.573 48 HA VAL 19 HA VAL 19 -2.506 4.999 2.441 49 HB VAL 19 HB VAL 19 -4.094 4.566 -0.091 50 1HG1 VAL 19 1HG1 VAL 19 -2.215 3.184 -0.201 51 2HG1 VAL 19 2HG1 VAL 19 -2.208 2.883 1.553 52 3HG1 VAL 19 3HG1 VAL 19 -3.450 2.127 0.525 53 1HG2 VAL 19 1HG2 VAL 19 -5.881 3.969 1.099 54 2HG2 VAL 19 2HG2 VAL 19 -4.903 2.811 2.032 55 3HG2 VAL 19 3HG2 VAL 19 -5.053 4.497 2.584 56 H CYS 20 H CYS 20 -3.336 7.140 -0.330 57 HA CYS 20 HA CYS 20 -0.813 6.757 -1.574 58 1HB CYS 20 1HB CYS 20 -3.286 8.236 -2.123 59 2HB CYS 20 2HB CYS 20 -1.850 9.130 -2.582 60 HG CYS 20 HG CYS 20 -2.191 5.909 -3.197 61 H GLU 21 H GLU 21 -2.259 8.913 0.865 62 HA GLU 21 HA GLU 21 -0.266 10.882 0.710 63 1HB GLU 21 1HB GLU 21 -2.656 10.994 1.747 64 2HB GLU 21 2HB GLU 21 -1.934 10.281 3.175 65 1HG GLU 21 1HG GLU 21 -0.272 12.483 2.213 66 2HG GLU 21 2HG GLU 21 -1.925 13.028 2.423 67 H ALA 22 H ALA 22 -0.751 7.920 2.703 68 HA ALA 22 HA ALA 22 1.505 8.408 4.355 69 1HB ALA 22 1HB ALA 22 0.984 6.303 5.299 70 2HB ALA 22 2HB ALA 22 -0.591 6.952 4.782 71 3HB ALA 22 3HB ALA 22 0.230 5.717 3.798 72 H ILE 23 H ILE 23 0.869 6.093 1.620 73 HA ILE 23 HA ILE 23 3.370 5.021 1.447 74 HB ILE 23 HB ILE 23 1.211 4.464 0.208 75 1HG1 ILE 23 1HG1 ILE 23 3.681 3.554 -0.077 76 2HG1 ILE 23 2HG1 ILE 23 2.380 3.043 -1.134 77 1HG2 ILE 23 1HG2 ILE 23 0.851 5.390 -1.960 78 2HG2 ILE 23 2HG2 ILE 23 0.982 6.744 -0.813 79 3HG2 ILE 23 3HG2 ILE 23 2.354 6.340 -1.873 80 1HD1 ILE 23 1HD1 ILE 23 3.062 4.559 -2.882 81 2HD1 ILE 23 2HD1 ILE 23 4.172 5.419 -1.789 82 3HD1 ILE 23 3HD1 ILE 23 4.542 3.756 -2.305 83 H LYS 24 H LYS 24 2.162 8.149 0.139 84 HA LYS 24 HA LYS 24 4.549 8.729 -1.256 85 1HB LYS 24 1HB LYS 24 2.297 9.692 -1.747 86 2HB LYS 24 2HB LYS 24 2.398 10.622 -0.265 87 1HG LYS 24 1HG LYS 24 4.029 12.055 -1.099 88 2HG LYS 24 2HG LYS 24 4.751 10.824 -2.117 89 1HD LYS 24 1HD LYS 24 2.696 10.953 -3.616 90 2HD LYS 24 2HD LYS 24 2.128 12.297 -2.645 91 1HE LYS 24 1HE LYS 24 4.927 12.407 -3.793 92 2HE LYS 24 2HE LYS 24 3.567 12.726 -4.851 93 1HZ LYS 24 1HZ LYS 24 3.459 14.729 -3.986 94 2HZ LYS 24 2HZ LYS 24 3.159 14.126 -2.498 95 3HZ LYS 24 3HZ LYS 24 4.696 14.417 -2.967 96 H THR 25 H THR 25 3.228 9.734 1.966 97 HA THR 25 HA THR 25 5.332 11.372 2.707 98 HB THR 25 HB THR 25 3.166 9.771 4.054 99 HG1 THR 25 1HG THR 25 4.276 12.487 3.992 100 1HG2 THR 25 1HG2 THR 25 5.325 11.292 5.602 101 2HG2 THR 25 2HG2 THR 25 3.907 10.457 6.281 102 3HG2 THR 25 3HG2 THR 25 5.230 9.516 5.551 103 H ILE 26 H ILE 26 5.169 7.851 2.486 104 HA ILE 26 HA ILE 26 7.339 7.332 4.200 105 HB ILE 26 HB ILE 26 6.067 5.786 1.947 106 1HG1 ILE 26 1HG1 ILE 26 5.930 5.144 4.884 107 2HG1 ILE 26 2HG1 ILE 26 4.868 6.355 4.196 108 1HG2 ILE 26 1HG2 ILE 26 7.388 3.930 3.480 109 2HG2 ILE 26 2HG2 ILE 26 7.931 4.552 1.903 110 3HG2 ILE 26 3HG2 ILE 26 8.558 5.269 3.407 111 1HD1 ILE 26 1HD1 ILE 26 4.610 3.494 4.080 112 2HD1 ILE 26 2HD1 ILE 26 3.513 4.725 3.409 113 3HD1 ILE 26 3HD1 ILE 26 4.850 4.091 2.420 114 H GLY 27 H GLY 27 7.764 6.158 0.915 115 1HA GLY 27 1HA GLY 27 9.154 7.713 -0.578 116 2HA GLY 27 2HA GLY 27 10.276 7.691 0.768 117 H ILE 28 H ILE 28 11.016 5.466 1.566 118 HA ILE 28 HA ILE 28 11.156 3.634 -0.728 119 HB ILE 28 HB ILE 28 13.376 3.296 -0.408 120 1HG1 ILE 28 1HG1 ILE 28 14.418 4.144 1.916 121 2HG1 ILE 28 2HG1 ILE 28 12.791 3.801 2.472 122 1HG2 ILE 28 1HG2 ILE 28 12.929 6.125 0.577 123 2HG2 ILE 28 2HG2 ILE 28 14.498 5.473 0.045 124 3HG2 ILE 28 3HG2 ILE 28 13.144 5.582 -1.105 125 1HD1 ILE 28 1HD1 ILE 28 14.577 1.876 2.502 126 2HD1 ILE 28 2HD1 ILE 28 12.935 1.508 1.923 127 3HD1 ILE 28 3HD1 ILE 28 14.252 1.774 0.755 128 H GLU 29 H GLU 29 10.472 4.160 2.684 129 HA GLU 29 HA GLU 29 10.644 1.485 3.467 130 1HB GLU 29 1HB GLU 29 10.645 3.416 5.041 131 2HB GLU 29 2HB GLU 29 8.976 3.759 4.632 132 1HG GLU 29 1HG GLU 29 8.240 2.213 6.118 133 2HG GLU 29 2HG GLU 29 9.183 0.957 5.339 134 H GLY 30 H GLY 30 8.625 2.920 1.206 135 1HA GLY 30 1HA GLY 30 6.513 2.514 0.451 136 2HA GLY 30 2HA GLY 30 7.106 0.866 0.493 137 H ALA 31 H ALA 31 4.931 0.081 0.910 138 HA ALA 31 HA ALA 31 4.276 0.250 3.744 139 1HB ALA 31 1HB ALA 31 1.957 0.392 1.884 140 2HB ALA 31 2HB ALA 31 2.206 1.169 3.466 141 3HB ALA 31 3HB ALA 31 2.945 1.868 2.006 142 H THR 32 H THR 32 4.889 -1.886 4.098 143 HA THR 32 HA THR 32 4.050 -3.938 2.257 144 HB THR 32 HB THR 32 6.197 -3.620 3.916 145 HG1 THR 32 1HG THR 32 6.494 -5.762 3.213 146 1HG2 THR 32 1HG2 THR 32 4.573 -4.000 5.933 147 2HG2 THR 32 2HG2 THR 32 4.446 -5.673 5.337 148 3HG2 THR 32 3HG2 THR 32 6.024 -5.028 5.852 149 H ALA 33 H ALA 33 3.236 -6.060 3.680 150 HA ALA 33 HA ALA 33 0.543 -5.617 4.006 151 1HB ALA 33 1HB ALA 33 0.584 -7.861 4.150 152 2HB ALA 33 2HB ALA 33 2.361 -7.770 4.111 153 3HB ALA 33 3HB ALA 33 1.506 -7.800 5.672 154 H ALA 34 H ALA 34 2.649 -6.592 6.788 155 HA ALA 34 HA ALA 34 1.122 -5.943 8.833 156 1HB ALA 34 1HB ALA 34 4.025 -5.053 8.684 157 2HB ALA 34 2HB ALA 34 3.123 -5.600 10.118 158 3HB ALA 34 3HB ALA 34 3.529 -6.757 8.828 159 H GLN 35 H GLN 35 3.285 -3.488 7.236 160 HA GLN 35 HA GLN 35 2.701 -1.316 8.583 161 1HB GLN 35 1HB GLN 35 3.292 -1.875 5.739 162 2HB GLN 35 2HB GLN 35 2.490 -0.337 5.984 163 1HG GLN 35 1HG GLN 35 4.358 -0.325 8.040 164 2HG GLN 35 2HG GLN 35 5.221 -1.193 6.786 165 1HE2 GLN 35 1HE2 GLN 35 3.148 1.659 7.255 166 2HE2 GLN 35 2HE2 GLN 35 3.983 2.722 6.171 167 H LEU 36 H LEU 36 0.865 -1.567 5.490 168 HA LEU 36 HA LEU 36 -1.195 0.032 6.184 169 1HB LEU 36 1HB LEU 36 -0.720 -2.091 4.219 170 2HB LEU 36 2HB LEU 36 -2.415 -1.849 4.593 171 HG LEU 36 HG LEU 36 -1.798 0.704 4.199 172 1HD1 LEU 36 1HD1 LEU 36 0.211 1.130 3.370 173 2HD1 LEU 36 2HD1 LEU 36 0.625 -0.598 3.472 174 3HD1 LEU 36 3HD1 LEU 36 -0.115 0.054 1.990 175 1HD2 LEU 36 1HD2 LEU 36 -2.009 -0.402 1.564 176 2HD2 LEU 36 2HD2 LEU 36 -3.003 -1.364 2.684 177 3HD2 LEU 36 3HD2 LEU 36 -3.254 0.394 2.557 178 H THR 37 H THR 37 -1.113 -3.579 6.586 179 HA THR 37 HA THR 37 -3.541 -3.988 7.701 180 HB THR 37 HB THR 37 -0.961 -5.228 8.767 181 HG1 THR 37 1HG THR 37 -2.501 -5.612 6.295 182 1HG2 THR 37 1HG2 THR 37 -2.717 -6.445 9.749 183 2HG2 THR 37 2HG2 THR 37 -3.849 -6.062 8.429 184 3HG2 THR 37 3HG2 THR 37 -2.586 -7.293 8.190 185 H ARG 38 H ARG 38 -0.891 -2.139 9.082 186 HA ARG 38 HA ARG 38 -2.133 -2.234 11.671 187 1HB ARG 38 1HB ARG 38 0.515 -1.783 10.694 188 2HB ARG 38 2HB ARG 38 0.020 -0.270 11.427 189 1HG ARG 38 1HG ARG 38 0.560 -1.193 13.432 190 2HG ARG 38 2HG ARG 38 -0.883 -2.173 13.271 191 1HD ARG 38 1HD ARG 38 0.535 -3.867 11.957 192 2HD ARG 38 2HD ARG 38 1.946 -2.928 12.403 193 HE ARG 38 HE ARG 38 0.288 -3.612 14.709 194 1HH1 ARG 38 2HH2 ARG 38 2.831 -4.773 12.572 195 2HH1 ARG 38 1HH2 ARG 38 3.466 -5.896 13.729 196 1HH2 ARG 38 2HH1 ARG 38 1.125 -5.092 16.235 197 2HH2 ARG 38 1HH1 ARG 38 2.489 -6.078 15.826 198 H GLN 39 H GLN 39 -1.525 0.019 8.929 199 HA GLN 39 HA GLN 39 -2.266 2.363 10.058 200 1HB GLN 39 1HB GLN 39 -2.272 1.220 7.308 201 2HB GLN 39 2HB GLN 39 -3.321 2.607 7.524 202 1HG GLN 39 1HG GLN 39 -0.840 3.049 6.856 203 2HG GLN 39 2HG GLN 39 -1.536 4.042 8.121 204 1HE2 GLN 39 1HE2 GLN 39 0.270 1.039 7.567 205 2HE2 GLN 39 2HE2 GLN 39 1.245 1.094 8.998 206 H LEU 40 H LEU 40 -4.271 -0.422 9.211 207 HA LEU 40 HA LEU 40 -6.684 1.162 9.690 208 1HB LEU 40 1HB LEU 40 -7.637 -1.217 8.947 209 2HB LEU 40 2HB LEU 40 -7.228 0.066 7.824 210 HG LEU 40 HG LEU 40 -5.134 -1.959 8.546 211 1HD1 LEU 40 1HD1 LEU 40 -6.793 -2.608 6.184 212 2HD1 LEU 40 2HD1 LEU 40 -5.997 -3.673 7.367 213 3HD1 LEU 40 3HD1 LEU 40 -7.549 -2.898 7.769 214 1HD2 LEU 40 1HD2 LEU 40 -4.332 -1.503 6.296 215 2HD2 LEU 40 2HD2 LEU 40 -5.735 -0.453 5.985 216 3HD2 LEU 40 3HD2 LEU 40 -4.529 0.013 7.208 217 H ASN 41 H ASN 41 -6.810 -2.280 10.227 218 HA ASN 41 HA ASN 41 -6.164 -2.131 12.977 219 1HB ASN 41 1HB ASN 41 -8.884 -1.523 12.178 220 2HB ASN 41 2HB ASN 41 -8.899 -3.081 12.982 221 1HD2 ASN 41 1HD2 ASN 41 -6.778 -0.271 13.444 222 2HD2 ASN 41 2HD2 ASN 41 -7.163 0.031 15.106 223 H MET 42 H MET 42 -5.655 -3.655 10.392 224 HA MET 42 HA MET 42 -5.130 -5.725 9.909 225 1HB MET 42 1HB MET 42 -5.481 -5.900 12.677 226 2HB MET 42 2HB MET 42 -6.630 -7.093 12.105 227 1HG MET 42 1HG MET 42 -4.774 -8.123 10.701 228 2HG MET 42 2HG MET 42 -3.649 -6.996 11.433 229 1HE MET 42 1HE MET 42 -2.328 -9.095 14.063 230 2HE MET 42 2HE MET 42 -2.116 -8.159 12.564 231 3HE MET 42 3HE MET 42 -2.683 -7.351 14.045 232 H GLU 43 H GLU 43 -7.191 -4.630 8.562 233 HA GLU 43 HA GLU 43 -9.261 -6.682 8.615 234 1HB GLU 43 1HB GLU 43 -9.304 -3.738 8.134 235 2HB GLU 43 2HB GLU 43 -10.331 -4.681 7.073 236 1HG GLU 43 1HG GLU 43 -10.693 -5.751 9.705 237 2HG GLU 43 2HG GLU 43 -10.739 -4.007 9.871 238 H LYS 44 H LYS 44 -7.531 -7.981 7.399 239 HA LYS 44 HA LYS 44 -6.423 -7.385 5.033 240 1HB LYS 44 1HB LYS 44 -6.114 -9.496 6.238 241 2HB LYS 44 2HB LYS 44 -7.735 -10.006 5.812 242 1HG LYS 44 1HG LYS 44 -6.733 -9.356 3.324 243 2HG LYS 44 2HG LYS 44 -5.276 -9.905 4.128 244 1HD LYS 44 1HD LYS 44 -7.011 -11.874 4.919 245 2HD LYS 44 2HD LYS 44 -7.728 -11.449 3.378 246 1HE LYS 44 1HE LYS 44 -5.244 -11.603 2.468 247 2HE LYS 44 2HE LYS 44 -4.944 -12.518 3.931 248 1HZ LYS 44 1HZ LYS 44 -5.576 -14.059 2.338 249 2HZ LYS 44 2HZ LYS 44 -6.925 -13.875 3.240 250 3HZ LYS 44 3HZ LYS 44 -6.817 -13.159 1.776 251 H ARG 45 H ARG 45 -9.866 -7.795 5.718 252 HA ARG 45 HA ARG 45 -10.683 -8.267 3.117 253 1HB ARG 45 1HB ARG 45 -11.891 -7.758 5.689 254 2HB ARG 45 2HB ARG 45 -12.665 -6.695 4.532 255 1HG ARG 45 1HG ARG 45 -13.044 -8.691 3.018 256 2HG ARG 45 2HG ARG 45 -12.370 -9.724 4.263 257 1HD ARG 45 1HD ARG 45 -14.410 -8.001 5.435 258 2HD ARG 45 2HD ARG 45 -15.071 -8.817 4.032 259 HE ARG 45 HE ARG 45 -14.826 -10.901 5.124 260 1HH1 ARG 45 2HH2 ARG 45 -13.249 -8.354 6.970 261 2HH1 ARG 45 1HH2 ARG 45 -13.026 -9.337 8.378 262 1HH2 ARG 45 2HH1 ARG 45 -14.532 -12.199 6.982 263 2HH2 ARG 45 1HH1 ARG 45 -13.761 -11.539 8.385 264 H GLU 46 H GLU 46 -10.362 -5.215 5.056 265 HA GLU 46 HA GLU 46 -11.162 -3.626 2.842 266 1HB GLU 46 1HB GLU 46 -11.027 -1.798 4.321 267 2HB GLU 46 2HB GLU 46 -11.446 -3.130 5.380 268 1HG GLU 46 1HG GLU 46 -9.669 -2.266 6.591 269 2HG GLU 46 2HG GLU 46 -8.779 -3.379 5.571 270 H VAL 47 H VAL 47 -8.107 -4.719 4.336 271 HA VAL 47 HA VAL 47 -6.461 -2.898 2.917 272 HB VAL 47 HB VAL 47 -6.182 -4.571 5.050 273 1HG1 VAL 47 1HG1 VAL 47 -4.349 -5.768 2.968 274 2HG1 VAL 47 2HG1 VAL 47 -4.727 -6.360 4.604 275 3HG1 VAL 47 3HG1 VAL 47 -5.950 -6.465 3.315 276 1HG2 VAL 47 1HG2 VAL 47 -4.887 -2.478 4.299 277 2HG2 VAL 47 2HG2 VAL 47 -4.007 -3.699 5.248 278 3HG2 VAL 47 3HG2 VAL 47 -3.782 -3.611 3.485 279 H ASN 48 H ASN 48 -8.074 -5.933 2.167 280 HA ASN 48 HA ASN 48 -6.320 -6.583 0.040 281 1HB ASN 48 1HB ASN 48 -8.971 -7.602 1.088 282 2HB ASN 48 2HB ASN 48 -8.507 -8.060 -0.538 283 1HD2 ASN 48 1HD2 ASN 48 -8.666 -10.172 0.688 284 2HD2 ASN 48 2HD2 ASN 48 -7.208 -10.806 1.375 285 H LYS 49 H LYS 49 -9.782 -5.458 0.321 286 HA LYS 49 HA LYS 49 -10.178 -5.045 -2.401 287 1HB LYS 49 1HB LYS 49 -11.790 -5.097 -0.284 288 2HB LYS 49 2HB LYS 49 -11.596 -3.358 -0.376 289 1HG LYS 49 1HG LYS 49 -12.374 -3.327 -2.702 290 2HG LYS 49 2HG LYS 49 -12.383 -5.078 -2.772 291 1HD LYS 49 1HD LYS 49 -13.989 -4.599 -0.556 292 2HD LYS 49 2HD LYS 49 -14.374 -3.225 -1.574 293 1HE LYS 49 1HE LYS 49 -14.632 -4.980 -3.505 294 2HE LYS 49 2HE LYS 49 -14.673 -6.180 -2.228 295 1HZ LYS 49 1HZ LYS 49 -16.411 -4.476 -1.281 296 2HZ LYS 49 2HZ LYS 49 -16.607 -4.139 -2.867 297 3HZ LYS 49 3HZ LYS 49 -16.839 -5.660 -2.321 298 H ALA 50 H ALA 50 -8.590 -3.093 0.107 299 HA ALA 50 HA ALA 50 -8.593 -0.696 -1.427 300 1HB ALA 50 1HB ALA 50 -6.894 -1.587 0.939 301 2HB ALA 50 2HB ALA 50 -7.044 0.079 0.331 302 3HB ALA 50 3HB ALA 50 -8.457 -0.740 1.039 303 H LEU 51 H LEU 51 -6.104 -3.225 -0.642 304 HA LEU 51 HA LEU 51 -4.058 -2.145 -2.139 305 1HB LEU 51 1HB LEU 51 -4.764 -4.806 -1.049 306 2HB LEU 51 2HB LEU 51 -3.578 -4.793 -2.339 307 HG LEU 51 HG LEU 51 -2.071 -3.435 -1.083 308 1HD1 LEU 51 1HD1 LEU 51 -2.553 -2.122 0.707 309 2HD1 LEU 51 2HD1 LEU 51 -4.166 -2.151 -0.045 310 3HD1 LEU 51 3HD1 LEU 51 -3.805 -3.224 1.328 311 1HD2 LEU 51 1HD2 LEU 51 -2.743 -5.980 -0.361 312 2HD2 LEU 51 2HD2 LEU 51 -1.351 -5.070 0.272 313 3HD2 LEU 51 3HD2 LEU 51 -2.873 -5.122 1.193 314 H TYR 52 H TYR 52 -6.718 -4.386 -3.120 315 HA TYR 52 HA TYR 52 -5.842 -4.803 -5.727 316 1HB TYR 52 1HB TYR 52 -8.537 -4.664 -4.261 317 2HB TYR 52 2HB TYR 52 -8.478 -5.104 -5.956 318 HD1 TYR 52 1HD TYR 52 -8.983 -6.531 -2.963 319 HD2 TYR 52 2HD TYR 52 -6.258 -6.905 -6.240 320 HE1 TYR 52 1HE TYR 52 -8.537 -8.951 -2.326 321 HE2 TYR 52 2HE TYR 52 -5.821 -9.324 -5.592 322 HH TYR 52 HH TYR 52 -5.949 -10.717 -3.652 323 H ASP 53 H ASP 53 -8.585 -2.642 -4.704 324 HA ASP 53 HA ASP 53 -9.041 -1.423 -7.004 325 1HB ASP 53 1HB ASP 53 -9.731 -0.975 -4.370 326 2HB ASP 53 2HB ASP 53 -8.807 0.475 -4.709 327 H LEU 54 H LEU 54 -6.552 -0.443 -4.532 328 HA LEU 54 HA LEU 54 -5.550 1.765 -5.840 329 1HB LEU 54 1HB LEU 54 -4.410 -0.208 -3.890 330 2HB LEU 54 2HB LEU 54 -3.395 1.051 -4.565 331 HG LEU 54 HG LEU 54 -5.799 1.328 -2.771 332 1HD1 LEU 54 1HD1 LEU 54 -2.878 1.863 -2.602 333 2HD1 LEU 54 2HD1 LEU 54 -3.968 2.997 -1.768 334 3HD1 LEU 54 3HD1 LEU 54 -4.015 1.263 -1.371 335 1HD2 LEU 54 1HD2 LEU 54 -6.429 3.006 -4.182 336 2HD2 LEU 54 2HD2 LEU 54 -5.267 3.895 -3.167 337 3HD2 LEU 54 3HD2 LEU 54 -4.773 3.295 -4.768 338 H GLN 55 H GLN 55 -4.808 -1.729 -6.261 339 HA GLN 55 HA GLN 55 -2.662 -1.298 -7.988 340 1HB GLN 55 1HB GLN 55 -2.998 -3.432 -6.827 341 2HB GLN 55 2HB GLN 55 -4.525 -3.687 -7.649 342 1HG GLN 55 1HG GLN 55 -3.133 -3.508 -9.863 343 2HG GLN 55 2HG GLN 55 -1.728 -3.727 -8.840 344 1HE2 GLN 55 1HE2 GLN 55 -3.458 -5.336 -10.885 345 2HE2 GLN 55 2HE2 GLN 55 -3.557 -6.919 -10.188 346 H ARG 56 H ARG 56 -6.113 -2.253 -8.648 347 HA ARG 56 HA ARG 56 -5.941 -2.263 -11.350 348 1HB ARG 56 1HB ARG 56 -8.192 -1.621 -9.416 349 2HB ARG 56 2HB ARG 56 -8.481 -1.486 -11.139 350 1HG ARG 56 1HG ARG 56 -9.115 -3.735 -10.352 351 2HG ARG 56 2HG ARG 56 -7.767 -3.848 -11.466 352 1HD ARG 56 1HD ARG 56 -6.173 -4.064 -9.591 353 2HD ARG 56 2HD ARG 56 -7.454 -3.798 -8.425 354 HE ARG 56 HE ARG 56 -6.937 -6.270 -9.929 355 1HH1 ARG 56 2HH2 ARG 56 -9.291 -4.449 -8.051 356 2HH1 ARG 56 1HH2 ARG 56 -10.227 -5.845 -7.632 357 1HH2 ARG 56 2HH1 ARG 56 -8.172 -8.112 -9.377 358 2HH2 ARG 56 1HH1 ARG 56 -9.586 -7.943 -8.392 359 H SER 57 H SER 57 -5.847 0.448 -9.125 360 HA SER 57 HA SER 57 -6.579 2.332 -11.168 361 1HB SER 57 1HB SER 57 -5.820 3.936 -9.163 362 2HB SER 57 2HB SER 57 -7.384 3.145 -9.162 363 HG SER 57 HG SER 57 -4.996 2.367 -7.739 364 H ALA 58 H ALA 58 -3.705 1.114 -9.403 365 HA ALA 58 HA ALA 58 -1.576 1.099 -10.159 366 1HB ALA 58 1HB ALA 58 -0.978 1.935 -12.220 367 2HB ALA 58 2HB ALA 58 -2.743 1.885 -12.443 368 3HB ALA 58 3HB ALA 58 -1.943 3.417 -12.021 369 H MET 59 H MET 59 -3.231 2.995 -8.265 370 HA MET 59 HA MET 59 -1.834 5.384 -8.123 371 1HB MET 59 1HB MET 59 -3.190 3.799 -5.871 372 2HB MET 59 2HB MET 59 -2.865 5.521 -5.844 373 1HG MET 59 1HG MET 59 -4.316 4.888 -8.280 374 2HG MET 59 2HG MET 59 -5.166 4.182 -6.920 375 1HE MET 59 1HE MET 59 -7.118 6.310 -5.576 376 2HE MET 59 2HE MET 59 -5.931 5.069 -5.109 377 3HE MET 59 3HE MET 59 -5.777 6.729 -4.483 378 H VAL 60 H VAL 60 -1.009 2.121 -7.118 379 HA VAL 60 HA VAL 60 1.475 3.176 -5.998 380 HB VAL 60 HB VAL 60 1.374 1.681 -4.126 381 1HG1 VAL 60 1HG1 VAL 60 -1.342 2.765 -3.793 382 2HG1 VAL 60 2HG1 VAL 60 0.146 3.087 -2.871 383 3HG1 VAL 60 3HG1 VAL 60 -0.159 3.950 -4.398 384 1HG2 VAL 60 1HG2 VAL 60 -0.017 -0.059 -5.428 385 2HG2 VAL 60 2HG2 VAL 60 -0.321 0.119 -3.683 386 3HG2 VAL 60 3HG2 VAL 60 -1.436 0.853 -4.861 387 H TYR 61 H TYR 61 3.127 1.295 -5.783 388 HA TYR 61 HA TYR 61 2.672 -0.595 -7.993 389 1HB TYR 61 1HB TYR 61 4.812 1.414 -7.296 390 2HB TYR 61 2HB TYR 61 5.427 -0.148 -7.800 391 HD1 TYR 61 1HD TYR 61 6.355 0.295 -9.915 392 HD2 TYR 61 2HD TYR 61 2.383 1.628 -9.048 393 HE1 TYR 61 1HE TYR 61 6.041 0.963 -12.348 394 HE2 TYR 61 2HE TYR 61 2.082 2.291 -11.484 395 HH TYR 61 HH TYR 61 4.170 2.956 -13.440 396 H SER 62 H SER 62 5.048 -2.053 -7.747 397 HA SER 62 HA SER 62 4.979 -2.951 -4.983 398 1HB SER 62 1HB SER 62 3.515 -4.396 -6.486 399 2HB SER 62 2HB SER 62 4.956 -4.831 -7.383 400 HG SER 62 HG SER 62 4.118 -6.203 -5.419 401 H SER 63 H SER 63 6.980 -3.975 -4.262 402 HA SER 63 HA SER 63 9.218 -2.990 -5.736 403 1HB SER 63 1HB SER 63 9.046 -2.842 -3.234 404 2HB SER 63 2HB SER 63 9.120 -4.590 -3.140 405 HG SER 63 HG SER 63 11.235 -4.371 -4.345 406 H ASP 64 H ASP 64 7.324 -5.828 -5.732 407 HA ASP 64 HA ASP 64 7.603 -7.882 -6.402 408 1HB ASP 64 1HB ASP 64 8.271 -6.287 -8.452 409 2HB ASP 64 2HB ASP 64 9.847 -7.023 -8.237 410 H ASP 65 H ASP 65 9.449 -6.881 -4.206 411 HA ASP 65 HA ASP 65 11.285 -9.086 -4.348 412 1HB ASP 65 1HB ASP 65 12.181 -6.517 -5.012 413 2HB ASP 65 2HB ASP 65 12.586 -6.635 -3.311 414 H ILE 66 H ILE 66 12.513 -9.160 -2.058 415 HA ILE 66 HA ILE 66 10.468 -8.682 -0.058 416 HB ILE 66 HB ILE 66 11.318 -10.862 -0.040 417 1HG1 ILE 66 1HG1 ILE 66 12.943 -10.582 2.165 418 2HG1 ILE 66 2HG1 ILE 66 12.059 -9.069 2.175 419 1HG2 ILE 66 1HG2 ILE 66 13.967 -9.551 -0.476 420 2HG2 ILE 66 2HG2 ILE 66 13.919 -11.108 0.386 421 3HG2 ILE 66 3HG2 ILE 66 13.247 -10.979 -1.257 422 1HD1 ILE 66 1HD1 ILE 66 10.232 -11.242 1.544 423 2HD1 ILE 66 2HD1 ILE 66 11.128 -11.612 3.037 424 3HD1 ILE 66 3HD1 ILE 66 10.188 -10.106 2.914 425 HA PRO 67 HA PRO 67 10.239 -8.447 1.820 426 1HB PRO 67 1HB PRO 67 8.956 -6.520 3.272 427 2HB PRO 67 2HB PRO 67 10.181 -7.574 3.949 428 1HG PRO 67 1HG PRO 67 10.399 -4.724 3.194 429 2HG PRO 67 2HG PRO 67 11.442 -5.665 4.242 430 1HD PRO 67 1HD PRO 67 11.982 -4.884 1.536 431 2HD PRO 67 2HD PRO 67 12.971 -5.922 2.544 432 HA PRO 68 HA PRO 68 7.375 -7.382 -1.127 433 1HB PRO 68 1HB PRO 68 5.258 -8.956 -0.415 434 2HB PRO 68 2HB PRO 68 6.626 -9.550 -1.334 435 1HG PRO 68 1HG PRO 68 5.973 -9.996 1.514 436 2HG PRO 68 2HG PRO 68 7.067 -10.898 0.485 437 1HD PRO 68 1HD PRO 68 7.789 -8.979 2.491 438 2HD PRO 68 2HD PRO 68 8.873 -9.795 1.382 439 H ARG 69 H ARG 69 6.764 -5.302 -1.154 440 HA ARG 69 HA ARG 69 4.460 -4.795 0.501 441 1HB ARG 69 1HB ARG 69 5.377 -2.664 1.356 442 2HB ARG 69 2HB ARG 69 6.418 -3.991 1.832 443 1HG ARG 69 1HG ARG 69 7.136 -2.821 -0.799 444 2HG ARG 69 2HG ARG 69 7.251 -1.677 0.523 445 1HD ARG 69 1HD ARG 69 8.387 -4.155 1.450 446 2HD ARG 69 2HD ARG 69 9.053 -3.846 -0.141 447 HE ARG 69 HE ARG 69 10.123 -1.900 0.680 448 1HH1 ARG 69 2HH2 ARG 69 7.936 -3.220 3.100 449 2HH1 ARG 69 1HH2 ARG 69 8.549 -2.228 4.380 450 1HH2 ARG 69 2HH1 ARG 69 10.932 -0.590 2.369 451 2HH2 ARG 69 1HH1 ARG 69 10.265 -0.722 3.961 452 H TRP 70 H TRP 70 3.938 -2.158 -0.056 453 HA TRP 70 HA TRP 70 3.902 -2.127 -2.994 454 1HB TRP 70 1HB TRP 70 2.005 -0.724 -1.110 455 2HB TRP 70 2HB TRP 70 1.871 -0.863 -2.852 456 HD1 TRP 70 HD TRP 70 2.164 -3.503 0.039 457 HE1 TRP 70 1HE TRP 70 0.446 -5.469 -0.343 458 HE3 TRP 70 3HE TRP 70 0.234 -1.678 -4.298 459 HZ2 TRP 70 2HZ TRP 70 -1.483 -6.029 -2.369 460 HZ3 TRP 70 3HZ TRP 70 -1.563 -2.996 -5.414 461 HH2 TRP 70 HH TRP 70 -2.423 -5.102 -4.519 462 H PHE 71 H PHE 71 4.831 -0.376 -4.045 463 HA PHE 71 HA PHE 71 5.875 1.732 -2.287 464 1HB PHE 71 1HB PHE 71 6.940 0.086 -4.588 465 2HB PHE 71 2HB PHE 71 7.417 1.772 -4.586 466 HD1 PHE 71 1HD PHE 71 6.854 0.200 -1.366 467 HD2 PHE 71 2HD PHE 71 9.760 1.017 -4.348 468 HE1 PHE 71 1HE PHE 71 8.682 -0.319 0.274 469 HE2 PHE 71 2HE PHE 71 11.588 0.499 -2.708 470 HZ PHE 71 HZ PHE 71 11.027 -0.163 -0.417 471 H MET 72 H MET 72 6.735 3.536 -4.241 472 HA MET 72 HA MET 72 4.189 4.199 -5.505 473 1HB MET 72 1HB MET 72 5.005 5.719 -3.620 474 2HB MET 72 2HB MET 72 6.436 6.070 -4.569 475 1HG MET 72 1HG MET 72 5.193 7.233 -6.248 476 2HG MET 72 2HG MET 72 3.673 6.514 -5.755 477 1HE MET 72 1HE MET 72 6.542 8.718 -3.542 478 2HE MET 72 2HE MET 72 6.395 8.858 -5.310 479 3HE MET 72 3HE MET 72 5.787 10.160 -4.261 480 H THR 73 H THR 73 4.457 3.428 -7.602 481 HA THR 73 HA THR 73 5.508 3.005 -9.559 482 HB THR 73 HB THR 73 4.397 5.096 -10.028 483 HG1 THR 73 1HG THR 73 5.908 5.786 -11.604 484 1HG2 THR 73 1HG2 THR 73 5.569 7.293 -9.583 485 2HG2 THR 73 2HG2 THR 73 5.101 6.454 -8.084 486 3HG2 THR 73 3HG2 THR 73 6.792 6.409 -8.640 487 H THR 74 H THR 74 7.245 1.671 -8.870 488 HA THR 74 HA THR 74 9.823 3.066 -9.084 489 HB THR 74 HB THR 74 10.564 1.277 -7.318 490 HG1 THR 74 1HG THR 74 8.767 0.371 -6.212 491 1HG2 THR 74 1HG2 THR 74 10.079 2.722 -5.503 492 2HG2 THR 74 2HG2 THR 74 9.982 3.836 -6.888 493 3HG2 THR 74 3HG2 THR 74 8.493 3.177 -6.169 Start of MODEL 12 1 H ARG 13 H ARG 13 -10.130 9.462 -4.915 2 HA ARG 13 HA ARG 13 -10.114 11.188 -3.602 3 1HB ARG 13 1HB ARG 13 -12.311 11.854 -5.371 4 2HB ARG 13 2HB ARG 13 -12.752 12.352 -3.750 5 1HG ARG 13 1HG ARG 13 -10.215 13.134 -5.258 6 2HG ARG 13 2HG ARG 13 -11.564 14.185 -4.877 7 1HD ARG 13 1HD ARG 13 -11.007 13.381 -2.358 8 2HD ARG 13 2HD ARG 13 -9.420 13.109 -3.051 9 HE ARG 13 HE ARG 13 -10.544 15.727 -3.739 10 1HH1 ARG 13 2HH2 ARG 13 -8.688 13.923 -1.355 11 2HH1 ARG 13 1HH2 ARG 13 -7.906 15.329 -0.712 12 1HH2 ARG 13 2HH1 ARG 13 -9.513 17.581 -2.892 13 2HH2 ARG 13 1HH1 ARG 13 -8.379 17.424 -1.592 14 H SER 14 H SER 14 -10.153 9.478 -1.903 15 HA SER 14 HA SER 14 -12.050 10.029 0.039 16 1HB SER 14 1HB SER 14 -12.908 8.052 -1.858 17 2HB SER 14 2HB SER 14 -12.553 7.210 -0.363 18 HG SER 14 HG SER 14 -14.800 8.160 -0.677 19 H ASN 15 H ASN 15 -10.310 7.054 -1.157 20 HA ASN 15 HA ASN 15 -8.896 7.079 1.390 21 1HB ASN 15 1HB ASN 15 -8.405 4.576 0.330 22 2HB ASN 15 2HB ASN 15 -9.720 4.925 1.434 23 1HD2 ASN 15 1HD2 ASN 15 -8.992 3.435 -1.335 24 2HD2 ASN 15 2HD2 ASN 15 -10.490 3.519 -2.201 25 H ALA 16 H ALA 16 -8.626 6.259 -2.150 26 HA ALA 16 HA ALA 16 -5.993 5.777 -2.406 27 1HB ALA 16 1HB ALA 16 -8.086 7.072 -4.109 28 2HB ALA 16 2HB ALA 16 -6.396 7.200 -4.652 29 3HB ALA 16 3HB ALA 16 -7.130 5.599 -4.397 30 H GLU 17 H GLU 17 -7.576 8.925 -1.797 31 HA GLU 17 HA GLU 17 -5.351 10.490 -2.361 32 1HB GLU 17 1HB GLU 17 -6.547 12.265 -1.174 33 2HB GLU 17 2HB GLU 17 -7.679 11.353 -2.153 34 1HG GLU 17 1HG GLU 17 -8.263 9.979 -0.097 35 2HG GLU 17 2HG GLU 17 -7.227 11.026 0.851 36 H ILE 18 H ILE 18 -6.563 8.992 0.701 37 HA ILE 18 HA ILE 18 -4.422 10.071 2.241 38 HB ILE 18 HB ILE 18 -6.657 8.132 2.703 39 1HG1 ILE 18 1HG1 ILE 18 -5.960 10.578 4.316 40 2HG1 ILE 18 2HG1 ILE 18 -6.784 10.735 2.777 41 1HG2 ILE 18 1HG2 ILE 18 -4.133 8.346 4.261 42 2HG2 ILE 18 2HG2 ILE 18 -5.656 8.283 5.179 43 3HG2 ILE 18 3HG2 ILE 18 -5.245 6.973 4.047 44 1HD1 ILE 18 1HD1 ILE 18 -8.185 10.467 5.010 45 2HD1 ILE 18 2HD1 ILE 18 -8.714 9.635 3.529 46 3HD1 ILE 18 3HD1 ILE 18 -7.833 8.736 4.788 47 H VAL 19 H VAL 19 -4.992 7.177 0.278 48 HA VAL 19 HA VAL 19 -2.917 5.633 1.413 49 HB VAL 19 HB VAL 19 -4.081 5.475 -1.370 50 1HG1 VAL 19 1HG1 VAL 19 -3.004 3.523 -1.591 51 2HG1 VAL 19 2HG1 VAL 19 -2.046 4.011 -0.172 52 3HG1 VAL 19 3HG1 VAL 19 -3.484 2.982 0.035 53 1HG2 VAL 19 1HG2 VAL 19 -5.348 3.617 0.365 54 2HG2 VAL 19 2HG2 VAL 19 -5.425 5.210 1.155 55 3HG2 VAL 19 3HG2 VAL 19 -6.073 5.000 -0.489 56 H CYS 20 H CYS 20 -3.132 8.043 -1.240 57 HA CYS 20 HA CYS 20 -0.473 7.552 -2.111 58 1HB CYS 20 1HB CYS 20 -2.453 8.537 -3.458 59 2HB CYS 20 2HB CYS 20 -2.057 10.060 -2.687 60 HG CYS 20 HG CYS 20 0.573 8.510 -3.588 61 H GLU 21 H GLU 21 -2.168 9.699 0.194 62 HA GLU 21 HA GLU 21 -0.024 11.460 0.558 63 1HB GLU 21 1HB GLU 21 -2.691 11.301 1.384 64 2HB GLU 21 2HB GLU 21 -1.805 11.124 2.886 65 1HG GLU 21 1HG GLU 21 -0.557 13.204 2.458 66 2HG GLU 21 2HG GLU 21 -1.272 13.351 0.865 67 H ALA 22 H ALA 22 -0.922 8.305 1.940 68 HA ALA 22 HA ALA 22 0.933 8.495 4.109 69 1HB ALA 22 1HB ALA 22 0.308 5.816 3.757 70 2HB ALA 22 2HB ALA 22 -0.603 6.969 4.761 71 3HB ALA 22 3HB ALA 22 -1.117 6.645 3.088 72 H ILE 23 H ILE 23 0.755 6.421 1.121 73 HA ILE 23 HA ILE 23 3.213 5.287 1.288 74 HB ILE 23 HB ILE 23 1.434 4.776 -0.344 75 1HG1 ILE 23 1HG1 ILE 23 3.989 5.273 -1.858 76 2HG1 ILE 23 2HG1 ILE 23 3.959 4.143 -0.519 77 1HG2 ILE 23 1HG2 ILE 23 1.005 6.046 -2.255 78 2HG2 ILE 23 2HG2 ILE 23 1.118 7.254 -0.953 79 3HG2 ILE 23 3HG2 ILE 23 2.487 7.014 -2.065 80 1HD1 ILE 23 1HD1 ILE 23 1.711 3.334 -1.857 81 2HD1 ILE 23 2HD1 ILE 23 2.700 3.927 -3.213 82 3HD1 ILE 23 3HD1 ILE 23 3.328 2.650 -2.144 83 H LYS 24 H LYS 24 2.366 8.561 0.039 84 HA LYS 24 HA LYS 24 4.980 9.158 -0.822 85 1HB LYS 24 1HB LYS 24 2.763 10.255 -1.488 86 2HB LYS 24 2HB LYS 24 2.867 11.155 0.011 87 1HG LYS 24 1HG LYS 24 4.844 12.295 -0.652 88 2HG LYS 24 2HG LYS 24 5.250 11.095 -1.862 89 1HD LYS 24 1HD LYS 24 3.659 11.907 -3.408 90 2HD LYS 24 2HD LYS 24 2.670 12.645 -2.164 91 1HE LYS 24 1HE LYS 24 4.222 14.468 -1.860 92 2HE LYS 24 2HE LYS 24 5.489 13.642 -2.744 93 1HZ LYS 24 1HZ LYS 24 3.080 14.013 -4.236 94 2HZ LYS 24 2HZ LYS 24 3.812 15.409 -3.809 95 3HZ LYS 24 3HZ LYS 24 4.629 14.289 -4.673 96 H THR 25 H THR 25 3.141 9.917 2.209 97 HA THR 25 HA THR 25 5.131 11.371 3.468 98 HB THR 25 HB THR 25 2.760 9.682 4.310 99 HG1 THR 25 1HG THR 25 3.702 12.431 4.731 100 1HG2 THR 25 1HG2 THR 25 3.356 11.020 6.607 101 2HG2 THR 25 2HG2 THR 25 3.848 9.330 6.342 102 3HG2 THR 25 3HG2 THR 25 5.009 10.650 6.060 103 H ILE 26 H ILE 26 4.953 7.927 2.786 104 HA ILE 26 HA ILE 26 6.828 7.195 4.802 105 HB ILE 26 HB ILE 26 5.806 5.771 2.344 106 1HG1 ILE 26 1HG1 ILE 26 5.082 5.172 5.208 107 2HG1 ILE 26 2HG1 ILE 26 4.240 6.424 4.316 108 1HG2 ILE 26 1HG2 ILE 26 7.782 4.965 4.441 109 2HG2 ILE 26 2HG2 ILE 26 6.652 3.746 3.805 110 3HG2 ILE 26 3HG2 ILE 26 7.747 4.608 2.698 111 1HD1 ILE 26 1HD1 ILE 26 3.785 3.612 4.211 112 2HD1 ILE 26 2HD1 ILE 26 2.997 4.874 3.234 113 3HD1 ILE 26 3HD1 ILE 26 4.468 4.072 2.633 114 H GLY 27 H GLY 27 7.530 6.121 1.526 115 1HA GLY 27 1HA GLY 27 9.170 7.684 0.288 116 2HA GLY 27 2HA GLY 27 10.145 7.452 1.725 117 H ILE 28 H ILE 28 10.526 5.073 2.409 118 HA ILE 28 HA ILE 28 10.786 3.443 -0.023 119 HB ILE 28 HB ILE 28 12.910 2.852 0.506 120 1HG1 ILE 28 1HG1 ILE 28 12.425 3.568 3.413 121 2HG1 ILE 28 2HG1 ILE 28 12.351 1.952 2.739 122 1HG2 ILE 28 1HG2 ILE 28 13.082 5.448 1.991 123 2HG2 ILE 28 2HG2 ILE 28 14.138 4.782 0.723 124 3HG2 ILE 28 3HG2 ILE 28 12.541 5.441 0.295 125 1HD1 ILE 28 1HD1 ILE 28 14.824 3.726 2.531 126 2HD1 ILE 28 2HD1 ILE 28 14.567 2.543 3.836 127 3HD1 ILE 28 3HD1 ILE 28 14.706 1.991 2.150 128 H GLU 29 H GLU 29 9.906 3.697 3.407 129 HA GLU 29 HA GLU 29 9.671 0.973 3.889 130 1HB GLU 29 1HB GLU 29 9.653 2.986 5.538 131 2HB GLU 29 2HB GLU 29 7.940 3.106 5.188 132 1HG GLU 29 1HG GLU 29 7.910 1.681 7.044 133 2HG GLU 29 2HG GLU 29 7.905 0.515 5.735 134 H GLY 30 H GLY 30 7.964 2.952 1.723 135 1HA GLY 30 1HA GLY 30 5.895 2.856 0.777 136 2HA GLY 30 2HA GLY 30 6.344 1.172 0.595 137 H ALA 31 H ALA 31 4.082 0.548 0.745 138 HA ALA 31 HA ALA 31 3.112 0.637 3.519 139 1HB ALA 31 1HB ALA 31 0.969 0.352 1.601 140 2HB ALA 31 2HB ALA 31 1.220 1.624 2.820 141 3HB ALA 31 3HB ALA 31 1.939 1.790 1.201 142 H THR 32 H THR 32 4.047 -1.408 4.000 143 HA THR 32 HA THR 32 3.370 -3.638 2.268 144 HB THR 32 HB THR 32 5.635 -3.108 3.542 145 HG1 THR 32 1HG THR 32 4.255 -5.685 3.799 146 1HG2 THR 32 1HG2 THR 32 4.480 -2.988 5.832 147 2HG2 THR 32 2HG2 THR 32 4.105 -4.718 5.647 148 3HG2 THR 32 3HG2 THR 32 5.799 -4.178 5.729 149 H ALA 33 H ALA 33 2.412 -5.642 3.175 150 HA ALA 33 HA ALA 33 -0.099 -5.166 4.169 151 1HB ALA 33 1HB ALA 33 0.078 -7.252 3.232 152 2HB ALA 33 2HB ALA 33 1.719 -7.518 3.869 153 3HB ALA 33 3HB ALA 33 0.307 -7.723 4.933 154 H ALA 34 H ALA 34 2.682 -6.604 6.029 155 HA ALA 34 HA ALA 34 1.647 -6.701 8.481 156 1HB ALA 34 1HB ALA 34 4.306 -6.305 7.308 157 2HB ALA 34 2HB ALA 34 4.174 -5.610 8.942 158 3HB ALA 34 3HB ALA 34 3.805 -7.331 8.674 159 H GLN 35 H GLN 35 3.125 -3.716 7.025 160 HA GLN 35 HA GLN 35 2.621 -2.085 9.169 161 1HB GLN 35 1HB GLN 35 4.068 -1.565 7.170 162 2HB GLN 35 2HB GLN 35 2.618 -1.297 6.222 163 1HG GLN 35 1HG GLN 35 3.717 0.797 7.249 164 2HG GLN 35 2HG GLN 35 1.990 0.627 7.491 165 1HE2 GLN 35 1HE2 GLN 35 1.170 -0.016 9.494 166 2HE2 GLN 35 2HE2 GLN 35 2.076 0.128 10.963 167 H LEU 36 H LEU 36 0.576 -2.825 6.276 168 HA LEU 36 HA LEU 36 -1.504 -1.073 7.064 169 1HB LEU 36 1HB LEU 36 -1.157 -3.236 5.023 170 2HB LEU 36 2HB LEU 36 -2.762 -2.619 5.363 171 HG LEU 36 HG LEU 36 -1.838 -0.291 4.884 172 1HD1 LEU 36 1HD1 LEU 36 0.560 -0.965 5.129 173 2HD1 LEU 36 2HD1 LEU 36 0.421 -1.826 3.577 174 3HD1 LEU 36 3HD1 LEU 36 0.190 -0.062 3.641 175 1HD2 LEU 36 1HD2 LEU 36 -2.344 -2.471 2.921 176 2HD2 LEU 36 2HD2 LEU 36 -3.222 -0.950 3.209 177 3HD2 LEU 36 3HD2 LEU 36 -1.693 -0.936 2.298 178 H THR 37 H THR 37 -0.331 -3.908 8.453 179 HA THR 37 HA THR 37 -3.002 -4.662 9.431 180 HB THR 37 HB THR 37 -0.345 -6.180 9.272 181 HG1 THR 37 1HG THR 37 -3.001 -6.307 8.025 182 1HG2 THR 37 1HG2 THR 37 -1.250 -7.780 10.630 183 2HG2 THR 37 2HG2 THR 37 -2.556 -6.638 11.025 184 3HG2 THR 37 3HG2 THR 37 -2.752 -7.781 9.676 185 H ARG 38 H ARG 38 -0.094 -3.002 10.235 186 HA ARG 38 HA ARG 38 -0.470 -3.547 13.040 187 1HB ARG 38 1HB ARG 38 1.757 -2.797 11.362 188 2HB ARG 38 2HB ARG 38 1.545 -1.523 12.546 189 1HG ARG 38 1HG ARG 38 1.279 -4.196 13.758 190 2HG ARG 38 2HG ARG 38 2.828 -3.994 12.964 191 1HD ARG 38 1HD ARG 38 3.472 -2.951 14.895 192 2HD ARG 38 2HD ARG 38 2.590 -1.568 14.277 193 HE ARG 38 HE ARG 38 0.612 -3.047 15.518 194 1HH1 ARG 38 2HH2 ARG 38 3.746 -1.836 16.564 195 2HH1 ARG 38 1HH2 ARG 38 3.276 -1.684 18.224 196 1HH2 ARG 38 2HH1 ARG 38 -0.009 -2.846 17.708 197 2HH2 ARG 38 1HH1 ARG 38 1.126 -2.263 18.879 198 H GLN 39 H GLN 39 -0.323 -0.738 10.734 199 HA GLN 39 HA GLN 39 -0.871 1.252 12.483 200 1HB GLN 39 1HB GLN 39 -0.529 1.085 9.784 201 2HB GLN 39 2HB GLN 39 -2.252 1.405 9.833 202 1HG GLN 39 1HG GLN 39 -1.555 3.597 9.916 203 2HG GLN 39 2HG GLN 39 -1.443 3.271 11.634 204 1HE2 GLN 39 1HE2 GLN 39 0.784 1.459 11.449 205 2HE2 GLN 39 2HE2 GLN 39 2.208 2.386 11.115 206 H LEU 40 H LEU 40 -3.091 -1.146 11.038 207 HA LEU 40 HA LEU 40 -5.323 0.163 12.409 208 1HB LEU 40 1HB LEU 40 -6.513 -1.733 10.956 209 2HB LEU 40 2HB LEU 40 -6.176 -0.118 10.366 210 HG LEU 40 HG LEU 40 -4.243 -2.396 9.929 211 1HD1 LEU 40 1HD1 LEU 40 -5.633 -3.397 8.523 212 2HD1 LEU 40 2HD1 LEU 40 -6.883 -2.169 8.835 213 3HD1 LEU 40 3HD1 LEU 40 -5.687 -1.913 7.542 214 1HD2 LEU 40 1HD2 LEU 40 -4.290 -0.520 7.802 215 2HD2 LEU 40 2HD2 LEU 40 -4.242 0.400 9.325 216 3HD2 LEU 40 3HD2 LEU 40 -2.997 -0.826 8.986 217 H ASN 41 H ASN 41 -4.616 -3.292 11.583 218 HA ASN 41 HA ASN 41 -4.042 -4.071 14.157 219 1HB ASN 41 1HB ASN 41 -6.850 -3.567 13.768 220 2HB ASN 41 2HB ASN 41 -6.660 -5.308 13.834 221 1HD2 ASN 41 1HD2 ASN 41 -4.801 -2.711 15.391 222 2HD2 ASN 41 2HD2 ASN 41 -5.084 -3.186 17.032 223 H MET 42 H MET 42 -6.187 -5.053 11.370 224 HA MET 42 HA MET 42 -4.393 -6.747 10.211 225 1HB MET 42 1HB MET 42 -4.556 -8.122 12.280 226 2HB MET 42 2HB MET 42 -6.305 -8.141 12.166 227 1HG MET 42 1HG MET 42 -6.319 -9.766 10.528 228 2HG MET 42 2HG MET 42 -4.912 -9.111 9.716 229 1HE MET 42 1HE MET 42 -5.096 -12.778 12.034 230 2HE MET 42 2HE MET 42 -6.380 -11.750 11.355 231 3HE MET 42 3HE MET 42 -5.163 -12.480 10.281 232 H GLU 43 H GLU 43 -6.442 -4.823 9.540 233 HA GLU 43 HA GLU 43 -8.634 -6.361 8.521 234 1HB GLU 43 1HB GLU 43 -8.175 -3.630 9.222 235 2HB GLU 43 2HB GLU 43 -8.546 -3.641 7.510 236 1HG GLU 43 1HG GLU 43 -10.240 -4.757 9.782 237 2HG GLU 43 2HG GLU 43 -10.653 -3.456 8.683 238 H LYS 44 H LYS 44 -6.458 -7.495 7.402 239 HA LYS 44 HA LYS 44 -5.384 -6.324 5.144 240 1HB LYS 44 1HB LYS 44 -4.692 -8.452 6.378 241 2HB LYS 44 2HB LYS 44 -5.938 -9.280 5.466 242 1HG LYS 44 1HG LYS 44 -4.883 -8.463 3.328 243 2HG LYS 44 2HG LYS 44 -3.614 -7.701 4.265 244 1HD LYS 44 1HD LYS 44 -2.663 -9.783 3.653 245 2HD LYS 44 2HD LYS 44 -3.194 -10.052 5.301 246 1HE LYS 44 1HE LYS 44 -5.475 -10.780 3.995 247 2HE LYS 44 2HE LYS 44 -4.309 -11.152 2.740 248 1HZ LYS 44 1HZ LYS 44 -3.233 -12.114 5.059 249 2HZ LYS 44 2HZ LYS 44 -4.810 -12.530 5.131 250 3HZ LYS 44 3HZ LYS 44 -3.902 -12.990 3.854 251 H ARG 45 H ARG 45 -8.631 -7.325 5.785 252 HA ARG 45 HA ARG 45 -9.325 -8.059 3.185 253 1HB ARG 45 1HB ARG 45 -10.597 -8.381 5.473 254 2HB ARG 45 2HB ARG 45 -11.250 -6.784 5.169 255 1HG ARG 45 1HG ARG 45 -12.234 -7.513 3.047 256 2HG ARG 45 2HG ARG 45 -11.422 -9.063 3.145 257 1HD ARG 45 1HD ARG 45 -13.091 -8.408 5.526 258 2HD ARG 45 2HD ARG 45 -13.998 -8.578 4.037 259 HE ARG 45 HE ARG 45 -12.727 -10.712 5.517 260 1HH1 ARG 45 2HH2 ARG 45 -13.494 -9.681 2.241 261 2HH1 ARG 45 1HH2 ARG 45 -13.523 -11.291 1.604 262 1HH2 ARG 45 2HH1 ARG 45 -12.764 -12.837 4.676 263 2HH2 ARG 45 1HH1 ARG 45 -13.104 -13.099 2.998 264 H GLU 46 H GLU 46 -9.521 -4.964 5.060 265 HA GLU 46 HA GLU 46 -10.709 -3.576 2.905 266 1HB GLU 46 1HB GLU 46 -10.779 -1.745 4.355 267 2HB GLU 46 2HB GLU 46 -10.758 -3.081 5.489 268 1HG GLU 46 1HG GLU 46 -8.272 -2.845 5.713 269 2HG GLU 46 2HG GLU 46 -8.303 -1.499 4.591 270 H VAL 47 H VAL 47 -7.384 -4.037 4.177 271 HA VAL 47 HA VAL 47 -6.230 -2.081 2.468 272 HB VAL 47 HB VAL 47 -4.258 -2.633 3.475 273 1HG1 VAL 47 1HG1 VAL 47 -4.733 -2.503 5.679 274 2HG1 VAL 47 2HG1 VAL 47 -6.425 -2.469 5.127 275 3HG1 VAL 47 3HG1 VAL 47 -5.696 -4.000 5.667 276 1HG2 VAL 47 1HG2 VAL 47 -5.260 -5.457 3.365 277 2HG2 VAL 47 2HG2 VAL 47 -3.713 -4.770 2.812 278 3HG2 VAL 47 3HG2 VAL 47 -4.000 -5.034 4.549 279 H ASN 48 H ASN 48 -7.239 -5.441 2.161 280 HA ASN 48 HA ASN 48 -5.534 -6.048 0.015 281 1HB ASN 48 1HB ASN 48 -6.461 -7.924 1.178 282 2HB ASN 48 2HB ASN 48 -8.080 -7.253 1.162 283 1HD2 ASN 48 1HD2 ASN 48 -9.144 -8.859 0.178 284 2HD2 ASN 48 2HD2 ASN 48 -8.878 -9.398 -1.446 285 H LYS 49 H LYS 49 -9.148 -5.535 0.211 286 HA LYS 49 HA LYS 49 -9.595 -5.367 -2.504 287 1HB LYS 49 1HB LYS 49 -11.336 -5.682 -0.792 288 2HB LYS 49 2HB LYS 49 -11.108 -4.037 -0.237 289 1HG LYS 49 1HG LYS 49 -12.913 -3.778 -1.712 290 2HG LYS 49 2HG LYS 49 -11.560 -3.373 -2.750 291 1HD LYS 49 1HD LYS 49 -11.514 -5.742 -3.590 292 2HD LYS 49 2HD LYS 49 -12.895 -6.117 -2.579 293 1HE LYS 49 1HE LYS 49 -14.083 -4.127 -3.806 294 2HE LYS 49 2HE LYS 49 -12.784 -4.248 -4.976 295 1HZ LYS 49 1HZ LYS 49 -14.624 -5.601 -5.624 296 2HZ LYS 49 2HZ LYS 49 -13.366 -6.577 -5.262 297 3HZ LYS 49 3HZ LYS 49 -14.608 -6.422 -4.213 298 H ALA 50 H ALA 50 -8.505 -2.890 -0.155 299 HA ALA 50 HA ALA 50 -8.816 -0.701 -1.896 300 1HB ALA 50 1HB ALA 50 -8.644 -0.437 0.519 301 2HB ALA 50 2HB ALA 50 -7.023 -1.173 0.519 302 3HB ALA 50 3HB ALA 50 -7.283 0.408 -0.257 303 H LEU 51 H LEU 51 -5.941 -2.733 -0.997 304 HA LEU 51 HA LEU 51 -4.133 -1.471 -2.656 305 1HB LEU 51 1HB LEU 51 -4.359 -4.124 -1.342 306 2HB LEU 51 2HB LEU 51 -3.182 -3.975 -2.631 307 HG LEU 51 HG LEU 51 -1.837 -2.532 -1.450 308 1HD1 LEU 51 1HD1 LEU 51 -2.814 -1.326 0.672 309 2HD1 LEU 51 2HD1 LEU 51 -3.087 -0.671 -0.961 310 3HD1 LEU 51 3HD1 LEU 51 -4.369 -1.603 -0.149 311 1HD2 LEU 51 1HD2 LEU 51 -3.205 -4.072 0.773 312 2HD2 LEU 51 2HD2 LEU 51 -1.938 -4.705 -0.305 313 3HD2 LEU 51 3HD2 LEU 51 -1.569 -3.371 0.815 314 H TYR 52 H TYR 52 -5.831 -4.614 -3.347 315 HA TYR 52 HA TYR 52 -5.135 -5.007 -5.887 316 1HB TYR 52 1HB TYR 52 -6.943 -6.046 -4.177 317 2HB TYR 52 2HB TYR 52 -8.076 -5.025 -5.040 318 HD1 TYR 52 1HD TYR 52 -5.835 -5.765 -7.514 319 HD2 TYR 52 2HD TYR 52 -8.775 -7.731 -5.107 320 HE1 TYR 52 1HE TYR 52 -6.100 -7.563 -9.293 321 HE2 TYR 52 2HE TYR 52 -9.029 -9.522 -6.893 322 HH TYR 52 HH TYR 52 -8.677 -9.675 -9.350 323 H ASP 53 H ASP 53 -8.115 -3.097 -5.035 324 HA ASP 53 HA ASP 53 -8.805 -2.288 -7.464 325 1HB ASP 53 1HB ASP 53 -9.570 -1.623 -4.946 326 2HB ASP 53 2HB ASP 53 -8.727 -0.142 -5.354 327 H LEU 54 H LEU 54 -6.459 -0.597 -5.243 328 HA LEU 54 HA LEU 54 -5.779 1.469 -6.944 329 1HB LEU 54 1HB LEU 54 -4.261 0.064 -4.751 330 2HB LEU 54 2HB LEU 54 -3.633 1.472 -5.585 331 HG LEU 54 HG LEU 54 -6.071 1.292 -3.811 332 1HD1 LEU 54 1HD1 LEU 54 -4.884 3.146 -2.612 333 2HD1 LEU 54 2HD1 LEU 54 -4.045 1.576 -2.581 334 3HD1 LEU 54 3HD1 LEU 54 -3.487 2.862 -3.678 335 1HD2 LEU 54 1HD2 LEU 54 -5.299 3.510 -5.716 336 2HD2 LEU 54 2HD2 LEU 54 -6.834 2.613 -5.629 337 3HD2 LEU 54 3HD2 LEU 54 -6.387 3.741 -4.326 338 H GLN 55 H GLN 55 -4.584 -1.910 -6.754 339 HA GLN 55 HA GLN 55 -2.420 -1.581 -8.428 340 1HB GLN 55 1HB GLN 55 -3.011 -3.597 -6.978 341 2HB GLN 55 2HB GLN 55 -4.162 -4.072 -8.212 342 1HG GLN 55 1HG GLN 55 -2.436 -4.399 -9.857 343 2HG GLN 55 2HG GLN 55 -1.249 -3.528 -8.905 344 1HE2 GLN 55 1HE2 GLN 55 -0.278 -4.475 -7.136 345 2HE2 GLN 55 2HE2 GLN 55 -0.319 -6.178 -6.823 346 H ARG 56 H ARG 56 -5.862 -2.442 -9.147 347 HA ARG 56 HA ARG 56 -5.374 -2.697 -11.897 348 1HB ARG 56 1HB ARG 56 -7.742 -2.699 -10.070 349 2HB ARG 56 2HB ARG 56 -8.089 -2.208 -11.717 350 1HG ARG 56 1HG ARG 56 -8.362 -4.644 -11.504 351 2HG ARG 56 2HG ARG 56 -7.021 -4.293 -12.576 352 1HD ARG 56 1HD ARG 56 -5.522 -4.485 -10.427 353 2HD ARG 56 2HD ARG 56 -6.912 -5.260 -9.695 354 HE ARG 56 HE ARG 56 -6.626 -7.130 -11.118 355 1HH1 ARG 56 2HH2 ARG 56 -4.472 -4.514 -12.065 356 2HH1 ARG 56 1HH2 ARG 56 -3.530 -5.504 -13.129 357 1HH2 ARG 56 2HH1 ARG 56 -5.383 -8.437 -12.521 358 2HH2 ARG 56 1HH1 ARG 56 -4.051 -7.750 -13.390 359 H SER 57 H SER 57 -5.753 -0.004 -9.743 360 HA SER 57 HA SER 57 -6.813 1.728 -11.768 361 1HB SER 57 1HB SER 57 -5.993 2.083 -8.868 362 2HB SER 57 2HB SER 57 -6.333 3.477 -9.873 363 HG SER 57 HG SER 57 -8.458 2.469 -10.343 364 H ALA 58 H ALA 58 -3.712 0.867 -10.231 365 HA ALA 58 HA ALA 58 -1.642 1.190 -11.035 366 1HB ALA 58 1HB ALA 58 -3.109 1.866 -13.254 367 2HB ALA 58 2HB ALA 58 -2.261 3.393 -12.917 368 3HB ALA 58 3HB ALA 58 -1.332 1.897 -13.172 369 H MET 59 H MET 59 -3.314 2.741 -8.979 370 HA MET 59 HA MET 59 -2.034 5.306 -9.008 371 1HB MET 59 1HB MET 59 -3.687 4.058 -6.755 372 2HB MET 59 2HB MET 59 -3.474 5.764 -7.093 373 1HG MET 59 1HG MET 59 -4.539 4.552 -9.480 374 2HG MET 59 2HG MET 59 -5.492 3.966 -8.131 375 1HE MET 59 1HE MET 59 -4.777 7.322 -10.338 376 2HE MET 59 2HE MET 59 -4.574 8.379 -8.921 377 3HE MET 59 3HE MET 59 -3.505 6.974 -9.143 378 H VAL 60 H VAL 60 -1.200 2.156 -8.024 379 HA VAL 60 HA VAL 60 0.947 3.235 -6.389 380 HB VAL 60 HB VAL 60 0.553 1.466 -4.682 381 1HG1 VAL 60 1HG1 VAL 60 -0.861 2.791 -3.387 382 2HG1 VAL 60 2HG1 VAL 60 -0.235 3.944 -4.590 383 3HG1 VAL 60 3HG1 VAL 60 -1.867 3.259 -4.778 384 1HG2 VAL 60 1HG2 VAL 60 -0.817 -0.167 -5.548 385 2HG2 VAL 60 2HG2 VAL 60 -2.005 0.785 -4.625 386 3HG2 VAL 60 3HG2 VAL 60 -1.867 0.999 -6.387 387 H TYR 61 H TYR 61 2.537 1.312 -5.865 388 HA TYR 61 HA TYR 61 2.509 -0.581 -8.107 389 1HB TYR 61 1HB TYR 61 4.562 1.465 -7.140 390 2HB TYR 61 2HB TYR 61 5.152 -0.016 -7.869 391 HD1 TYR 61 1HD TYR 61 5.634 0.054 -10.133 392 HD2 TYR 61 2HD TYR 61 2.583 2.633 -8.599 393 HE1 TYR 61 1HE TYR 61 5.327 1.076 -12.441 394 HE2 TYR 61 2HE TYR 61 2.287 3.646 -10.912 395 HH TYR 61 HH TYR 61 2.954 2.422 -13.512 396 H SER 62 H SER 62 4.755 -2.020 -7.640 397 HA SER 62 HA SER 62 4.424 -2.842 -4.860 398 1HB SER 62 1HB SER 62 3.436 -4.559 -6.210 399 2HB SER 62 2HB SER 62 4.733 -4.499 -7.387 400 HG SER 62 HG SER 62 5.343 -6.238 -6.219 401 H SER 63 H SER 63 6.423 -4.120 -4.033 402 HA SER 63 HA SER 63 8.729 -2.595 -4.827 403 1HB SER 63 1HB SER 63 7.957 -4.293 -2.469 404 2HB SER 63 2HB SER 63 9.668 -4.133 -2.815 405 HG SER 63 HG SER 63 9.186 -1.715 -2.899 406 H ASP 64 H ASP 64 7.254 -5.670 -5.434 407 HA ASP 64 HA ASP 64 7.860 -7.427 -6.548 408 1HB ASP 64 1HB ASP 64 9.945 -5.447 -7.456 409 2HB ASP 64 2HB ASP 64 10.193 -7.129 -7.880 410 H ASP 65 H ASP 65 8.974 -6.750 -3.755 411 HA ASP 65 HA ASP 65 10.977 -8.841 -3.766 412 1HB ASP 65 1HB ASP 65 11.584 -6.097 -3.378 413 2HB ASP 65 2HB ASP 65 11.561 -6.776 -1.762 414 H ILE 66 H ILE 66 11.386 -9.513 -1.308 415 HA ILE 66 HA ILE 66 8.782 -9.415 0.033 416 HB ILE 66 HB ILE 66 9.499 -11.620 -0.657 417 1HG1 ILE 66 1HG1 ILE 66 9.700 -12.600 1.800 418 2HG1 ILE 66 2HG1 ILE 66 9.322 -10.951 2.257 419 1HG2 ILE 66 1HG2 ILE 66 11.689 -12.068 1.153 420 2HG2 ILE 66 2HG2 ILE 66 11.608 -12.302 -0.610 421 3HG2 ILE 66 3HG2 ILE 66 12.075 -10.719 0.058 422 1HD1 ILE 66 1HD1 ILE 66 7.177 -11.861 2.061 423 2HD1 ILE 66 2HD1 ILE 66 7.402 -11.186 0.430 424 3HD1 ILE 66 3HD1 ILE 66 7.642 -12.927 0.713 425 HA PRO 67 HA PRO 67 7.975 -9.628 1.706 426 1HB PRO 67 1HB PRO 67 6.573 -7.928 3.323 427 2HB PRO 67 2HB PRO 67 7.324 -9.400 3.903 428 1HG PRO 67 1HG PRO 67 8.204 -6.602 4.269 429 2HG PRO 67 2HG PRO 67 8.677 -8.028 5.171 430 1HD PRO 67 1HD PRO 67 10.215 -6.681 3.160 431 2HD PRO 67 2HD PRO 67 10.637 -8.172 3.979 432 HA PRO 68 HA PRO 68 6.138 -7.102 -1.171 433 1HB PRO 68 1HB PRO 68 3.449 -7.510 -0.911 434 2HB PRO 68 2HB PRO 68 4.513 -8.633 -1.735 435 1HG PRO 68 1HG PRO 68 3.278 -8.873 0.940 436 2HG PRO 68 2HG PRO 68 3.977 -10.128 -0.063 437 1HD PRO 68 1HD PRO 68 5.174 -8.905 2.239 438 2HD PRO 68 2HD PRO 68 5.918 -10.076 1.169 439 H ARG 69 H ARG 69 6.430 -4.969 -1.155 440 HA ARG 69 HA ARG 69 4.716 -3.607 0.767 441 1HB ARG 69 1HB ARG 69 7.451 -2.664 -0.228 442 2HB ARG 69 2HB ARG 69 6.474 -1.882 0.999 443 1HG ARG 69 1HG ARG 69 6.603 -4.266 2.194 444 2HG ARG 69 2HG ARG 69 8.011 -4.482 1.173 445 1HD ARG 69 1HD ARG 69 7.648 -2.010 2.923 446 2HD ARG 69 2HD ARG 69 8.421 -3.465 3.518 447 HE ARG 69 HE ARG 69 9.509 -1.587 1.524 448 1HH1 ARG 69 2HH2 ARG 69 9.769 -4.775 2.992 449 2HH1 ARG 69 1HH2 ARG 69 11.421 -4.997 2.521 450 1HH2 ARG 69 2HH1 ARG 69 11.688 -1.880 0.903 451 2HH2 ARG 69 1HH1 ARG 69 12.520 -3.340 1.325 452 H TRP 70 H TRP 70 3.306 -2.113 -0.130 453 HA TRP 70 HA TRP 70 3.373 -1.752 -2.975 454 1HB TRP 70 1HB TRP 70 1.523 -0.600 -0.879 455 2HB TRP 70 2HB TRP 70 1.295 -0.507 -2.614 456 HD1 TRP 70 HD TRP 70 1.496 -3.277 0.130 457 HE1 TRP 70 1HE TRP 70 0.003 -5.349 -0.535 458 HE3 TRP 70 3HE TRP 70 0.161 -1.512 -4.448 459 HZ2 TRP 70 2HZ TRP 70 -1.534 -6.002 -2.849 460 HZ3 TRP 70 3HZ TRP 70 -1.338 -2.929 -5.847 461 HH2 TRP 70 HH TRP 70 -2.181 -5.103 -5.115 462 H PHE 71 H PHE 71 4.444 -0.121 -4.011 463 HA PHE 71 HA PHE 71 5.263 2.158 -2.353 464 1HB PHE 71 1HB PHE 71 6.432 0.575 -4.682 465 2HB PHE 71 2HB PHE 71 6.917 2.249 -4.498 466 HD1 PHE 71 1HD PHE 71 6.190 0.674 -1.375 467 HD2 PHE 71 2HD PHE 71 9.221 1.167 -4.304 468 HE1 PHE 71 1HE PHE 71 7.925 -0.013 0.304 469 HE2 PHE 71 2HE PHE 71 10.956 0.480 -2.625 470 HZ PHE 71 HZ PHE 71 10.287 -0.102 -0.341 471 H MET 72 H MET 72 6.026 3.959 -4.310 472 HA MET 72 HA MET 72 3.515 4.350 -5.748 473 1HB MET 72 1HB MET 72 4.772 5.968 -3.765 474 2HB MET 72 2HB MET 72 5.108 6.788 -5.277 475 1HG MET 72 1HG MET 72 2.318 5.893 -4.405 476 2HG MET 72 2HG MET 72 2.942 7.515 -4.178 477 1HE MET 72 1HE MET 72 3.275 8.963 -7.689 478 2HE MET 72 2HE MET 72 2.896 9.349 -5.993 479 3HE MET 72 3HE MET 72 4.412 8.508 -6.398 480 H THR 73 H THR 73 3.898 3.868 -7.878 481 HA THR 73 HA THR 73 5.108 3.562 -9.768 482 HB THR 73 HB THR 73 4.615 6.410 -9.118 483 HG1 THR 73 1HG THR 73 3.500 6.055 -11.068 484 1HG2 THR 73 1HG2 THR 73 6.851 5.584 -11.004 485 2HG2 THR 73 2HG2 THR 73 5.807 6.964 -11.420 486 3HG2 THR 73 3HG2 THR 73 6.772 6.997 -9.925 487 H THR 74 H THR 74 6.827 2.211 -9.237 488 HA THR 74 HA THR 74 9.325 3.604 -8.551 489 HB THR 74 HB THR 74 10.014 1.288 -7.796 490 HG1 THR 74 1HG THR 74 8.445 0.275 -9.336 491 1HG2 THR 74 1HG2 THR 74 8.163 1.005 -5.997 492 2HG2 THR 74 2HG2 THR 74 9.027 2.561 -5.995 493 3HG2 THR 74 3HG2 THR 74 7.403 2.446 -6.714 Start of MODEL 13 1 H ARG 13 H ARG 13 -10.386 8.149 -3.508 2 HA ARG 13 HA ARG 13 -10.771 9.913 -2.322 3 1HB ARG 13 1HB ARG 13 -13.438 9.546 -3.648 4 2HB ARG 13 2HB ARG 13 -13.422 10.615 -2.260 5 1HG ARG 13 1HG ARG 13 -11.464 10.876 -4.587 6 2HG ARG 13 2HG ARG 13 -12.985 11.742 -4.516 7 1HD ARG 13 1HD ARG 13 -12.178 12.589 -2.174 8 2HD ARG 13 2HD ARG 13 -10.594 12.013 -2.652 9 HE ARG 13 HE ARG 13 -10.409 13.819 -4.128 10 1HH1 ARG 13 2HH2 ARG 13 -13.793 13.386 -3.262 11 2HH1 ARG 13 1HH2 ARG 13 -14.314 14.833 -4.059 12 1HH2 ARG 13 2HH1 ARG 13 -11.097 15.727 -5.180 13 2HH2 ARG 13 1HH1 ARG 13 -12.770 16.173 -5.158 14 H SER 14 H SER 14 -10.215 8.738 -0.356 15 HA SER 14 HA SER 14 -11.947 9.006 1.692 16 1HB SER 14 1HB SER 14 -12.667 6.701 0.132 17 2HB SER 14 2HB SER 14 -12.010 6.119 1.649 18 HG SER 14 HG SER 14 -14.457 6.872 1.336 19 H ASN 15 H ASN 15 -10.208 5.911 0.981 20 HA ASN 15 HA ASN 15 -8.256 6.751 2.974 21 1HB ASN 15 1HB ASN 15 -9.801 4.578 3.198 22 2HB ASN 15 2HB ASN 15 -8.638 3.868 2.096 23 1HD2 ASN 15 1HD2 ASN 15 -8.599 2.553 4.219 24 2HD2 ASN 15 2HD2 ASN 15 -7.342 2.952 5.342 25 H ALA 16 H ALA 16 -8.807 4.959 -0.134 26 HA ALA 16 HA ALA 16 -6.330 4.213 -0.846 27 1HB ALA 16 1HB ALA 16 -7.443 5.385 -3.170 28 2HB ALA 16 2HB ALA 16 -7.594 3.695 -2.631 29 3HB ALA 16 3HB ALA 16 -8.825 4.892 -2.162 30 H GLU 17 H GLU 17 -7.702 7.549 -1.031 31 HA GLU 17 HA GLU 17 -5.415 8.612 -2.251 32 1HB GLU 17 1HB GLU 17 -6.432 10.798 -1.738 33 2HB GLU 17 2HB GLU 17 -7.637 9.693 -2.368 34 1HG GLU 17 1HG GLU 17 -8.822 10.437 -0.532 35 2HG GLU 17 2HG GLU 17 -7.957 9.132 0.256 36 H ILE 18 H ILE 18 -6.504 8.219 1.151 37 HA ILE 18 HA ILE 18 -4.429 9.788 2.256 38 HB ILE 18 HB ILE 18 -6.396 7.786 3.317 39 1HG1 ILE 18 1HG1 ILE 18 -7.317 9.939 2.802 40 2HG1 ILE 18 2HG1 ILE 18 -7.219 9.779 4.545 41 1HG2 ILE 18 1HG2 ILE 18 -4.026 8.974 4.745 42 2HG2 ILE 18 2HG2 ILE 18 -5.522 8.563 5.618 43 3HG2 ILE 18 3HG2 ILE 18 -4.624 7.297 4.746 44 1HD1 ILE 18 1HD1 ILE 18 -6.303 11.900 4.297 45 2HD1 ILE 18 2HD1 ILE 18 -4.819 10.924 4.178 46 3HD1 ILE 18 3HD1 ILE 18 -5.608 11.528 2.701 47 H VAL 19 H VAL 19 -4.784 6.362 1.301 48 HA VAL 19 HA VAL 19 -2.459 5.469 2.622 49 HB VAL 19 HB VAL 19 -3.616 4.262 0.123 50 1HG1 VAL 19 1HG1 VAL 19 -2.438 3.068 2.656 51 2HG1 VAL 19 2HG1 VAL 19 -3.053 2.149 1.261 52 3HG1 VAL 19 3HG1 VAL 19 -1.628 3.200 1.077 53 1HG2 VAL 19 1HG2 VAL 19 -5.045 4.848 2.588 54 2HG2 VAL 19 2HG2 VAL 19 -5.649 4.190 1.048 55 3HG2 VAL 19 3HG2 VAL 19 -4.969 3.097 2.278 56 H CYS 20 H CYS 20 -3.145 6.824 -0.640 57 HA CYS 20 HA CYS 20 -0.588 6.314 -1.665 58 1HB CYS 20 1HB CYS 20 -2.890 7.067 -2.798 59 2HB CYS 20 2HB CYS 20 -2.167 8.656 -2.650 60 HG CYS 20 HG CYS 20 -0.079 8.295 -3.987 61 H GLU 21 H GLU 21 -2.116 9.029 0.144 62 HA GLU 21 HA GLU 21 0.020 10.790 -0.150 63 1HB GLU 21 1HB GLU 21 -2.456 11.157 0.678 64 2HB GLU 21 2HB GLU 21 -1.808 10.795 2.265 65 1HG GLU 21 1HG GLU 21 -0.049 12.675 0.892 66 2HG GLU 21 2HG GLU 21 -1.693 13.281 0.870 67 H ALA 22 H ALA 22 -0.658 8.108 2.092 68 HA ALA 22 HA ALA 22 1.368 8.840 3.958 69 1HB ALA 22 1HB ALA 22 0.125 6.102 3.540 70 2HB ALA 22 2HB ALA 22 0.781 6.799 5.041 71 3HB ALA 22 3HB ALA 22 -0.736 7.430 4.356 72 H ILE 23 H ILE 23 1.075 6.086 1.593 73 HA ILE 23 HA ILE 23 3.591 5.116 1.795 74 HB ILE 23 HB ILE 23 1.796 4.114 0.499 75 1HG1 ILE 23 1HG1 ILE 23 4.435 4.599 -0.883 76 2HG1 ILE 23 2HG1 ILE 23 3.935 3.212 0.063 77 1HG2 ILE 23 1HG2 ILE 23 1.084 4.896 -1.626 78 2HG2 ILE 23 2HG2 ILE 23 1.005 6.283 -0.514 79 3HG2 ILE 23 3HG2 ILE 23 2.350 6.146 -1.671 80 1HD1 ILE 23 1HD1 ILE 23 3.693 2.414 -2.133 81 2HD1 ILE 23 2HD1 ILE 23 2.041 2.963 -1.764 82 3HD1 ILE 23 3HD1 ILE 23 3.119 3.984 -2.745 83 H LYS 24 H LYS 24 2.499 8.051 0.048 84 HA LYS 24 HA LYS 24 4.984 8.495 -1.225 85 1HB LYS 24 1HB LYS 24 2.574 9.402 -1.733 86 2HB LYS 24 2HB LYS 24 3.007 10.676 -0.610 87 1HG LYS 24 1HG LYS 24 4.877 9.907 -2.880 88 2HG LYS 24 2HG LYS 24 3.545 11.011 -3.154 89 1HD LYS 24 1HD LYS 24 4.396 12.564 -1.457 90 2HD LYS 24 2HD LYS 24 5.628 11.421 -0.961 91 1HE LYS 24 1HE LYS 24 7.001 11.916 -2.743 92 2HE LYS 24 2HE LYS 24 5.666 12.058 -3.869 93 1HZ LYS 24 1HZ LYS 24 5.270 14.156 -2.285 94 2HZ LYS 24 2HZ LYS 24 6.901 14.078 -2.268 95 3HZ LYS 24 3HZ LYS 24 6.104 14.215 -3.687 96 H THR 25 H THR 25 3.450 9.710 1.816 97 HA THR 25 HA THR 25 5.520 11.456 2.513 98 HB THR 25 HB THR 25 3.336 9.949 4.017 99 HG1 THR 25 1HG THR 25 3.096 11.863 2.458 100 1HG2 THR 25 1HG2 THR 25 4.451 12.299 5.380 101 2HG2 THR 25 2HG2 THR 25 4.102 10.685 6.044 102 3HG2 THR 25 3HG2 THR 25 5.664 11.002 5.250 103 H ILE 26 H ILE 26 5.262 7.938 2.685 104 HA ILE 26 HA ILE 26 7.188 7.513 4.657 105 HB ILE 26 HB ILE 26 6.286 5.844 2.311 106 1HG1 ILE 26 1HG1 ILE 26 4.596 6.474 4.065 107 2HG1 ILE 26 2HG1 ILE 26 4.834 4.754 3.832 108 1HG2 ILE 26 1HG2 ILE 26 7.245 3.950 3.787 109 2HG2 ILE 26 2HG2 ILE 26 8.360 4.907 2.782 110 3HG2 ILE 26 3HG2 ILE 26 8.229 5.235 4.527 111 1HD1 ILE 26 1HD1 ILE 26 4.889 4.929 6.171 112 2HD1 ILE 26 2HD1 ILE 26 6.621 4.998 5.769 113 3HD1 ILE 26 3HD1 ILE 26 5.731 6.496 6.134 114 H GLY 27 H GLY 27 8.016 6.269 1.447 115 1HA GLY 27 1HA GLY 27 9.666 7.802 0.193 116 2HA GLY 27 2HA GLY 27 10.602 7.657 1.667 117 H ILE 28 H ILE 28 10.960 5.297 2.480 118 HA ILE 28 HA ILE 28 11.352 3.576 0.130 119 HB ILE 28 HB ILE 28 13.488 3.238 0.631 120 1HG1 ILE 28 1HG1 ILE 28 12.884 1.921 2.640 121 2HG1 ILE 28 2HG1 ILE 28 14.398 2.788 2.809 122 1HG2 ILE 28 1HG2 ILE 28 14.603 5.148 1.269 123 2HG2 ILE 28 2HG2 ILE 28 12.995 5.797 0.866 124 3HG2 ILE 28 3HG2 ILE 28 13.445 5.527 2.567 125 1HD1 ILE 28 1HD1 ILE 28 13.617 3.910 4.613 126 2HD1 ILE 28 2HD1 ILE 28 12.208 4.489 3.691 127 3HD1 ILE 28 3HD1 ILE 28 12.141 2.919 4.528 128 H GLU 29 H GLU 29 10.355 3.954 3.519 129 HA GLU 29 HA GLU 29 10.128 1.244 4.088 130 1HB GLU 29 1HB GLU 29 9.898 3.537 5.535 131 2HB GLU 29 2HB GLU 29 8.198 3.154 5.352 132 1HG GLU 29 1HG GLU 29 8.836 2.030 7.351 133 2HG GLU 29 2HG GLU 29 8.790 0.763 6.142 134 H GLY 30 H GLY 30 8.443 3.170 1.841 135 1HA GLY 30 1HA GLY 30 6.387 3.033 0.867 136 2HA GLY 30 2HA GLY 30 6.878 1.359 0.696 137 H ALA 31 H ALA 31 4.639 0.668 0.814 138 HA ALA 31 HA ALA 31 3.655 0.668 3.579 139 1HB ALA 31 1HB ALA 31 2.487 2.002 1.366 140 2HB ALA 31 2HB ALA 31 1.498 0.549 1.650 141 3HB ALA 31 3HB ALA 31 1.764 1.716 2.967 142 H THR 32 H THR 32 4.535 -1.421 3.935 143 HA THR 32 HA THR 32 3.904 -3.526 2.061 144 HB THR 32 HB THR 32 6.079 -3.191 3.464 145 HG1 THR 32 1HG THR 32 5.428 -5.176 2.330 146 1HG2 THR 32 1HG2 THR 32 4.143 -3.492 5.600 147 2HG2 THR 32 2HG2 THR 32 5.186 -4.933 5.576 148 3HG2 THR 32 3HG2 THR 32 5.908 -3.314 5.737 149 H ALA 33 H ALA 33 3.497 -5.628 4.012 150 HA ALA 33 HA ALA 33 0.678 -5.456 4.154 151 1HB ALA 33 1HB ALA 33 2.830 -7.404 4.907 152 2HB ALA 33 2HB ALA 33 1.222 -7.612 5.641 153 3HB ALA 33 3HB ALA 33 1.401 -7.628 3.871 154 H ALA 34 H ALA 34 2.954 -6.143 6.893 155 HA ALA 34 HA ALA 34 1.381 -5.598 8.960 156 1HB ALA 34 1HB ALA 34 3.564 -6.275 9.458 157 2HB ALA 34 2HB ALA 34 4.297 -5.014 8.439 158 3HB ALA 34 3HB ALA 34 3.565 -4.581 10.003 159 H GLN 35 H GLN 35 3.354 -3.034 7.290 160 HA GLN 35 HA GLN 35 2.670 -0.877 8.594 161 1HB GLN 35 1HB GLN 35 3.182 -1.463 5.740 162 2HB GLN 35 2HB GLN 35 2.292 0.026 5.987 163 1HG GLN 35 1HG GLN 35 4.866 -0.665 7.478 164 2HG GLN 35 2HG GLN 35 4.828 0.281 6.004 165 1HE2 GLN 35 1HE2 GLN 35 3.281 2.156 6.010 166 2HE2 GLN 35 2HE2 GLN 35 3.208 3.139 7.435 167 H LEU 36 H LEU 36 0.729 -1.344 5.589 168 HA LEU 36 HA LEU 36 -1.402 0.142 6.332 169 1HB LEU 36 1HB LEU 36 -0.906 -2.047 4.421 170 2HB LEU 36 2HB LEU 36 -2.591 -1.789 4.827 171 HG LEU 36 HG LEU 36 -2.025 0.736 4.306 172 1HD1 LEU 36 1HD1 LEU 36 0.256 -0.772 3.071 173 2HD1 LEU 36 2HD1 LEU 36 -0.401 0.670 2.261 174 3HD1 LEU 36 3HD1 LEU 36 0.246 0.796 3.914 175 1HD2 LEU 36 1HD2 LEU 36 -3.159 0.478 2.350 176 2HD2 LEU 36 2HD2 LEU 36 -2.193 -0.927 1.838 177 3HD2 LEU 36 3HD2 LEU 36 -3.468 -1.123 3.065 178 H THR 37 H THR 37 -1.023 -3.432 6.845 179 HA THR 37 HA THR 37 -3.381 -3.992 8.051 180 HB THR 37 HB THR 37 -0.653 -4.983 9.017 181 HG1 THR 37 1HG THR 37 -2.323 -5.448 6.654 182 1HG2 THR 37 1HG2 THR 37 -3.321 -6.411 8.534 183 2HG2 THR 37 2HG2 THR 37 -1.833 -7.146 9.179 184 3HG2 THR 37 3HG2 THR 37 -2.717 -5.936 10.139 185 H ARG 38 H ARG 38 -0.847 -1.892 9.274 186 HA ARG 38 HA ARG 38 -1.993 -1.997 11.909 187 1HB ARG 38 1HB ARG 38 0.570 -1.259 10.761 188 2HB ARG 38 2HB ARG 38 -0.040 0.110 11.670 189 1HG ARG 38 1HG ARG 38 -0.437 -2.443 13.100 190 2HG ARG 38 2HG ARG 38 1.252 -2.144 12.737 191 1HD ARG 38 1HD ARG 38 -0.636 -0.238 14.203 192 2HD ARG 38 2HD ARG 38 0.669 -1.157 14.926 193 HE ARG 38 HE ARG 38 1.778 0.385 12.800 194 1HH1 ARG 38 2HH2 ARG 38 0.297 0.875 15.954 195 2HH1 ARG 38 1HH2 ARG 38 1.146 2.352 16.266 196 1HH2 ARG 38 2HH1 ARG 38 2.899 2.333 13.211 197 2HH2 ARG 38 1HH1 ARG 38 2.637 3.187 14.695 198 H GLN 39 H GLN 39 -1.609 0.223 9.094 199 HA GLN 39 HA GLN 39 -2.530 2.523 10.200 200 1HB GLN 39 1HB GLN 39 -2.492 1.347 7.450 201 2HB GLN 39 2HB GLN 39 -3.561 2.717 7.682 202 1HG GLN 39 1HG GLN 39 -1.313 3.473 6.969 203 2HG GLN 39 2HG GLN 39 -1.687 4.072 8.573 204 1HE2 GLN 39 1HE2 GLN 39 0.019 1.585 6.754 205 2HE2 GLN 39 2HE2 GLN 39 1.231 1.216 7.935 206 H LEU 40 H LEU 40 -4.304 -0.416 9.326 207 HA LEU 40 HA LEU 40 -6.831 0.971 9.836 208 1HB LEU 40 1HB LEU 40 -7.608 -1.441 9.006 209 2HB LEU 40 2HB LEU 40 -7.292 -0.095 7.930 210 HG LEU 40 HG LEU 40 -5.052 -1.979 8.586 211 1HD1 LEU 40 1HD1 LEU 40 -5.777 -3.715 7.340 212 2HD1 LEU 40 2HD1 LEU 40 -7.379 -3.093 7.806 213 3HD1 LEU 40 3HD1 LEU 40 -6.690 -2.678 6.218 214 1HD2 LEU 40 1HD2 LEU 40 -5.783 -0.434 6.083 215 2HD2 LEU 40 2HD2 LEU 40 -4.588 0.058 7.306 216 3HD2 LEU 40 3HD2 LEU 40 -4.314 -1.407 6.332 217 H ASN 41 H ASN 41 -6.686 -2.490 10.251 218 HA ASN 41 HA ASN 41 -6.074 -2.371 13.014 219 1HB ASN 41 1HB ASN 41 -8.832 -2.008 12.191 220 2HB ASN 41 2HB ASN 41 -8.702 -3.581 12.952 221 1HD2 ASN 41 1HD2 ASN 41 -7.206 -0.377 13.424 222 2HD2 ASN 41 2HD2 ASN 41 -7.523 -0.236 15.121 223 H MET 42 H MET 42 -5.402 -3.753 10.380 224 HA MET 42 HA MET 42 -4.681 -5.744 9.828 225 1HB MET 42 1HB MET 42 -4.700 -6.058 12.490 226 2HB MET 42 2HB MET 42 -6.087 -7.082 12.174 227 1HG MET 42 1HG MET 42 -4.381 -8.088 10.298 228 2HG MET 42 2HG MET 42 -3.203 -7.519 11.463 229 1HE MET 42 1HE MET 42 -3.684 -9.420 14.579 230 2HE MET 42 2HE MET 42 -3.298 -7.855 13.825 231 3HE MET 42 3HE MET 42 -4.934 -8.159 14.458 232 H GLU 43 H GLU 43 -6.850 -4.826 8.521 233 HA GLU 43 HA GLU 43 -8.725 -7.057 8.542 234 1HB GLU 43 1HB GLU 43 -9.021 -4.136 8.168 235 2HB GLU 43 2HB GLU 43 -9.873 -5.075 6.959 236 1HG GLU 43 1HG GLU 43 -10.380 -6.398 9.427 237 2HG GLU 43 2HG GLU 43 -10.524 -4.689 9.782 238 H LYS 44 H LYS 44 -6.853 -8.186 7.340 239 HA LYS 44 HA LYS 44 -5.808 -7.497 4.972 240 1HB LYS 44 1HB LYS 44 -5.180 -9.531 6.051 241 2HB LYS 44 2HB LYS 44 -6.800 -10.189 5.931 242 1HG LYS 44 1HG LYS 44 -6.354 -11.031 3.875 243 2HG LYS 44 2HG LYS 44 -5.940 -9.438 3.274 244 1HD LYS 44 1HD LYS 44 -3.840 -10.312 3.023 245 2HD LYS 44 2HD LYS 44 -3.684 -10.004 4.741 246 1HE LYS 44 1HE LYS 44 -4.874 -12.618 3.743 247 2HE LYS 44 2HE LYS 44 -3.137 -12.409 3.838 248 1HZ LYS 44 1HZ LYS 44 -4.049 -13.341 5.851 249 2HZ LYS 44 2HZ LYS 44 -3.373 -11.887 6.161 250 3HZ LYS 44 3HZ LYS 44 -4.998 -12.031 6.082 251 H ARG 45 H ARG 45 -9.194 -8.262 5.654 252 HA ARG 45 HA ARG 45 -9.960 -8.821 3.058 253 1HB ARG 45 1HB ARG 45 -11.325 -7.942 5.589 254 2HB ARG 45 2HB ARG 45 -12.233 -7.722 4.107 255 1HG ARG 45 1HG ARG 45 -11.019 -10.341 4.015 256 2HG ARG 45 2HG ARG 45 -11.786 -10.161 5.581 257 1HD ARG 45 1HD ARG 45 -13.328 -9.273 3.140 258 2HD ARG 45 2HD ARG 45 -13.171 -10.993 3.433 259 HE ARG 45 HE ARG 45 -14.773 -9.111 4.976 260 1HH1 ARG 45 2HH2 ARG 45 -13.008 -12.150 5.158 261 2HH1 ARG 45 1HH2 ARG 45 -13.934 -12.756 6.491 262 1HH2 ARG 45 2HH1 ARG 45 -15.995 -9.909 6.735 263 2HH2 ARG 45 1HH1 ARG 45 -15.644 -11.472 7.394 264 H GLU 46 H GLU 46 -9.941 -5.733 4.968 265 HA GLU 46 HA GLU 46 -10.852 -4.261 2.705 266 1HB GLU 46 1HB GLU 46 -10.986 -2.417 4.165 267 2HB GLU 46 2HB GLU 46 -11.301 -3.779 5.222 268 1HG GLU 46 1HG GLU 46 -8.827 -3.798 5.827 269 2HG GLU 46 2HG GLU 46 -8.633 -2.332 4.887 270 H VAL 47 H VAL 47 -7.763 -4.965 4.366 271 HA VAL 47 HA VAL 47 -6.260 -2.991 3.022 272 HB VAL 47 HB VAL 47 -5.899 -4.717 5.122 273 1HG1 VAL 47 1HG1 VAL 47 -3.826 -5.557 3.091 274 2HG1 VAL 47 2HG1 VAL 47 -4.196 -6.274 4.678 275 3HG1 VAL 47 3HG1 VAL 47 -5.334 -6.474 3.324 276 1HG2 VAL 47 1HG2 VAL 47 -4.764 -2.435 4.221 277 2HG2 VAL 47 2HG2 VAL 47 -4.118 -3.386 5.580 278 3HG2 VAL 47 3HG2 VAL 47 -3.419 -3.570 3.953 279 H ASN 48 H ASN 48 -7.520 -6.159 2.152 280 HA ASN 48 HA ASN 48 -5.636 -6.501 0.041 281 1HB ASN 48 1HB ASN 48 -6.570 -8.497 1.120 282 2HB ASN 48 2HB ASN 48 -8.210 -7.958 0.822 283 1HD2 ASN 48 1HD2 ASN 48 -8.192 -10.211 -0.074 284 2HD2 ASN 48 2HD2 ASN 48 -7.834 -10.413 -1.757 285 H LYS 49 H LYS 49 -9.158 -5.720 0.467 286 HA LYS 49 HA LYS 49 -9.720 -5.463 -2.272 287 1HB LYS 49 1HB LYS 49 -11.835 -4.944 -1.596 288 2HB LYS 49 2HB LYS 49 -11.254 -5.716 -0.135 289 1HG LYS 49 1HG LYS 49 -10.519 -3.349 0.641 290 2HG LYS 49 2HG LYS 49 -11.474 -2.730 -0.692 291 1HD LYS 49 1HD LYS 49 -13.509 -3.784 0.200 292 2HD LYS 49 2HD LYS 49 -12.590 -4.599 1.450 293 1HE LYS 49 1HE LYS 49 -12.894 -2.802 2.800 294 2HE LYS 49 2HE LYS 49 -11.920 -1.843 1.704 295 1HZ LYS 49 1HZ LYS 49 -13.780 -1.097 0.612 296 2HZ LYS 49 2HZ LYS 49 -14.735 -2.324 1.109 297 3HZ LYS 49 3HZ LYS 49 -14.308 -1.147 2.156 298 H ALA 50 H ALA 50 -8.276 -3.313 0.155 299 HA ALA 50 HA ALA 50 -8.613 -0.966 -1.451 300 1HB ALA 50 1HB ALA 50 -7.145 0.037 0.305 301 2HB ALA 50 2HB ALA 50 -8.546 -0.826 0.985 302 3HB ALA 50 3HB ALA 50 -6.935 -1.582 1.014 303 H LEU 51 H LEU 51 -5.851 -3.140 -0.535 304 HA LEU 51 HA LEU 51 -3.952 -1.834 -2.089 305 1HB LEU 51 1HB LEU 51 -4.220 -4.586 -0.933 306 2HB LEU 51 2HB LEU 51 -2.889 -4.217 -2.012 307 HG LEU 51 HG LEU 51 -3.492 -3.006 0.687 308 1HD1 LEU 51 1HD1 LEU 51 -0.873 -3.681 0.708 309 2HD1 LEU 51 2HD1 LEU 51 -2.190 -4.765 1.220 310 3HD1 LEU 51 3HD1 LEU 51 -1.510 -4.903 -0.419 311 1HD2 LEU 51 1HD2 LEU 51 -1.264 -1.707 0.103 312 2HD2 LEU 51 2HD2 LEU 51 -1.877 -1.878 -1.559 313 3HD2 LEU 51 3HD2 LEU 51 -2.865 -1.057 -0.327 314 H TYR 52 H TYR 52 -6.477 -4.216 -2.893 315 HA TYR 52 HA TYR 52 -5.429 -4.883 -5.435 316 1HB TYR 52 1HB TYR 52 -7.050 -6.372 -4.488 317 2HB TYR 52 2HB TYR 52 -8.002 -5.058 -3.827 318 HD1 TYR 52 1HD TYR 52 -9.772 -4.023 -5.103 319 HD2 TYR 52 2HD TYR 52 -7.268 -6.997 -6.889 320 HE1 TYR 52 1HE TYR 52 -11.386 -4.219 -7.057 321 HE2 TYR 52 2HE TYR 52 -8.891 -7.183 -8.837 322 HH TYR 52 HH TYR 52 -11.989 -5.977 -8.722 323 H ASP 53 H ASP 53 -8.319 -2.866 -4.519 324 HA ASP 53 HA ASP 53 -8.896 -1.947 -6.974 325 1HB ASP 53 1HB ASP 53 -9.749 -1.417 -4.410 326 2HB ASP 53 2HB ASP 53 -8.990 0.112 -4.808 327 H LEU 54 H LEU 54 -6.471 -0.714 -4.590 328 HA LEU 54 HA LEU 54 -5.750 1.575 -6.053 329 1HB LEU 54 1HB LEU 54 -4.512 -0.011 -3.827 330 2HB LEU 54 2HB LEU 54 -3.626 1.296 -4.586 331 HG LEU 54 HG LEU 54 -6.193 1.447 -3.006 332 1HD1 LEU 54 1HD1 LEU 54 -3.848 1.482 -1.946 333 2HD1 LEU 54 2HD1 LEU 54 -3.707 3.112 -2.649 334 3HD1 LEU 54 3HD1 LEU 54 -5.004 2.754 -1.483 335 1HD2 LEU 54 1HD2 LEU 54 -5.206 3.290 -5.118 336 2HD2 LEU 54 2HD2 LEU 54 -6.862 2.956 -4.557 337 3HD2 LEU 54 3HD2 LEU 54 -5.800 4.027 -3.611 338 H GLN 55 H GLN 55 -4.647 -1.838 -6.062 339 HA GLN 55 HA GLN 55 -2.387 -1.424 -7.598 340 1HB GLN 55 1HB GLN 55 -2.723 -3.514 -6.417 341 2HB GLN 55 2HB GLN 55 -4.216 -3.836 -7.275 342 1HG GLN 55 1HG GLN 55 -2.282 -5.157 -8.174 343 2HG GLN 55 2HG GLN 55 -3.023 -4.136 -9.390 344 1HE2 GLN 55 1HE2 GLN 55 -1.024 -4.358 -10.524 345 2HE2 GLN 55 2HE2 GLN 55 0.332 -3.345 -10.155 346 H ARG 56 H ARG 56 -5.826 -2.040 -8.489 347 HA ARG 56 HA ARG 56 -5.178 -2.123 -11.251 348 1HB ARG 56 1HB ARG 56 -7.971 -1.701 -10.117 349 2HB ARG 56 2HB ARG 56 -7.521 -2.524 -11.597 350 1HG ARG 56 1HG ARG 56 -7.220 -3.496 -8.737 351 2HG ARG 56 2HG ARG 56 -8.044 -4.281 -10.070 352 1HD ARG 56 1HD ARG 56 -5.470 -4.087 -11.077 353 2HD ARG 56 2HD ARG 56 -5.148 -4.291 -9.367 354 HE ARG 56 HE ARG 56 -7.083 -6.222 -9.930 355 1HH1 ARG 56 2HH2 ARG 56 -3.886 -5.453 -11.183 356 2HH1 ARG 56 1HH2 ARG 56 -3.523 -7.090 -11.619 357 1HH2 ARG 56 2HH1 ARG 56 -6.605 -8.381 -10.504 358 2HH2 ARG 56 1HH1 ARG 56 -5.080 -8.767 -11.230 359 H SER 57 H SER 57 -5.762 0.325 -8.867 360 HA SER 57 HA SER 57 -6.899 2.207 -10.673 361 1HB SER 57 1HB SER 57 -5.792 2.440 -7.845 362 2HB SER 57 2HB SER 57 -6.456 3.807 -8.716 363 HG SER 57 HG SER 57 -7.786 1.468 -7.731 364 H ALA 58 H ALA 58 -3.681 1.260 -9.490 365 HA ALA 58 HA ALA 58 -1.685 1.714 -10.406 366 1HB ALA 58 1HB ALA 58 -2.696 4.057 -11.994 367 2HB ALA 58 2HB ALA 58 -1.472 2.837 -12.419 368 3HB ALA 58 3HB ALA 58 -3.201 2.421 -12.477 369 H MET 59 H MET 59 -3.341 3.126 -8.151 370 HA MET 59 HA MET 59 -2.121 5.679 -7.986 371 1HB MET 59 1HB MET 59 -3.473 4.033 -5.779 372 2HB MET 59 2HB MET 59 -3.281 5.775 -5.803 373 1HG MET 59 1HG MET 59 -4.622 4.873 -8.244 374 2HG MET 59 2HG MET 59 -5.470 4.277 -6.831 375 1HE MET 59 1HE MET 59 -7.052 5.531 -5.546 376 2HE MET 59 2HE MET 59 -7.648 7.118 -6.088 377 3HE MET 59 3HE MET 59 -7.631 5.741 -7.216 378 H VAL 60 H VAL 60 -1.193 2.418 -7.181 379 HA VAL 60 HA VAL 60 1.194 3.476 -5.885 380 HB VAL 60 HB VAL 60 1.071 1.897 -4.086 381 1HG1 VAL 60 1HG1 VAL 60 -0.187 4.142 -4.000 382 2HG1 VAL 60 2HG1 VAL 60 -1.669 3.170 -4.159 383 3HG1 VAL 60 3HG1 VAL 60 -0.586 2.921 -2.769 384 1HG2 VAL 60 1HG2 VAL 60 -0.609 0.281 -3.767 385 2HG2 VAL 60 2HG2 VAL 60 -1.683 1.026 -4.976 386 3HG2 VAL 60 3HG2 VAL 60 -0.212 0.172 -5.499 387 H TYR 61 H TYR 61 2.717 1.358 -5.504 388 HA TYR 61 HA TYR 61 2.427 -0.384 -7.838 389 1HB TYR 61 1HB TYR 61 4.662 1.529 -6.994 390 2HB TYR 61 2HB TYR 61 5.083 0.085 -7.892 391 HD1 TYR 61 1HD TYR 61 5.211 0.239 -10.205 392 HD2 TYR 61 2HD TYR 61 2.663 2.951 -8.094 393 HE1 TYR 61 1HE TYR 61 4.680 1.444 -12.379 394 HE2 TYR 61 2HE TYR 61 2.141 4.147 -10.275 395 HH TYR 61 HH TYR 61 2.558 4.295 -12.388 396 H SER 62 H SER 62 4.513 -2.006 -7.702 397 HA SER 62 HA SER 62 4.558 -2.863 -4.913 398 1HB SER 62 1HB SER 62 3.388 -4.234 -6.988 399 2HB SER 62 2HB SER 62 5.002 -4.914 -7.032 400 HG SER 62 HG SER 62 3.105 -4.941 -4.863 401 H SER 63 H SER 63 6.563 -4.033 -4.245 402 HA SER 63 HA SER 63 8.822 -2.781 -5.445 403 1HB SER 63 1HB SER 63 8.806 -2.929 -3.044 404 2HB SER 63 2HB SER 63 8.443 -4.643 -3.072 405 HG SER 63 HG SER 63 10.906 -3.407 -3.973 406 H ASP 64 H ASP 64 7.064 -5.745 -5.816 407 HA ASP 64 HA ASP 64 7.377 -7.535 -6.997 408 1HB ASP 64 1HB ASP 64 9.437 -5.703 -8.232 409 2HB ASP 64 2HB ASP 64 9.452 -7.392 -8.701 410 H ASP 65 H ASP 65 8.844 -7.083 -4.395 411 HA ASP 65 HA ASP 65 10.706 -9.257 -4.717 412 1HB ASP 65 1HB ASP 65 11.856 -6.877 -4.809 413 2HB ASP 65 2HB ASP 65 11.536 -6.834 -3.086 414 H ILE 66 H ILE 66 11.441 -9.985 -2.366 415 HA ILE 66 HA ILE 66 9.115 -9.671 -0.615 416 HB ILE 66 HB ILE 66 9.909 -11.931 -1.551 417 1HG1 ILE 66 1HG1 ILE 66 9.484 -11.628 1.436 418 2HG1 ILE 66 2HG1 ILE 66 8.210 -11.568 0.234 419 1HG2 ILE 66 1HG2 ILE 66 11.830 -12.877 -0.875 420 2HG2 ILE 66 2HG2 ILE 66 12.333 -11.200 -0.556 421 3HG2 ILE 66 3HG2 ILE 66 11.707 -12.209 0.770 422 1HD1 ILE 66 1HD1 ILE 66 8.068 -13.823 0.430 423 2HD1 ILE 66 2HD1 ILE 66 9.632 -13.911 -0.415 424 3HD1 ILE 66 3HD1 ILE 66 9.581 -13.897 1.365 425 HA PRO 67 HA PRO 67 8.584 -9.837 1.179 426 1HB PRO 67 1HB PRO 67 7.573 -8.050 2.982 427 2HB PRO 67 2HB PRO 67 8.322 -9.563 3.450 428 1HG PRO 67 1HG PRO 67 9.414 -6.822 3.627 429 2HG PRO 67 2HG PRO 67 9.945 -8.271 4.458 430 1HD PRO 67 1HD PRO 67 11.205 -7.027 2.201 431 2HD PRO 67 2HD PRO 67 11.668 -8.537 2.959 432 HA PRO 68 HA PRO 68 6.488 -7.226 -1.428 433 1HB PRO 68 1HB PRO 68 3.847 -7.588 -0.825 434 2HB PRO 68 2HB PRO 68 4.771 -8.715 -1.799 435 1HG PRO 68 1HG PRO 68 3.890 -8.981 1.011 436 2HG PRO 68 2HG PRO 68 4.426 -10.231 -0.095 437 1HD PRO 68 1HD PRO 68 5.938 -9.073 2.050 438 2HD PRO 68 2HD PRO 68 6.511 -10.238 0.873 439 H ARG 69 H ARG 69 6.726 -5.090 -1.481 440 HA ARG 69 HA ARG 69 5.288 -3.729 0.649 441 1HB ARG 69 1HB ARG 69 7.934 -2.753 -0.521 442 2HB ARG 69 2HB ARG 69 7.107 -2.125 0.890 443 1HG ARG 69 1HG ARG 69 7.398 -4.817 1.543 444 2HG ARG 69 2HG ARG 69 8.866 -4.502 0.638 445 1HD ARG 69 1HD ARG 69 8.013 -2.520 2.763 446 2HD ARG 69 2HD ARG 69 8.759 -4.024 3.264 447 HE ARG 69 HE ARG 69 10.057 -1.822 1.794 448 1HH1 ARG 69 2HH2 ARG 69 10.256 -5.184 2.815 449 2HH1 ARG 69 1HH2 ARG 69 11.976 -5.272 2.627 450 1HH2 ARG 69 2HH1 ARG 69 12.326 -1.938 1.545 451 2HH2 ARG 69 1HH1 ARG 69 13.161 -3.414 1.900 452 H TRP 70 H TRP 70 3.928 -2.090 -0.080 453 HA TRP 70 HA TRP 70 3.804 -1.676 -2.929 454 1HB TRP 70 1HB TRP 70 2.114 -0.550 -0.689 455 2HB TRP 70 2HB TRP 70 1.786 -0.392 -2.403 456 HD1 TRP 70 HD TRP 70 2.069 -3.255 0.236 457 HE1 TRP 70 1HE TRP 70 0.485 -5.266 -0.405 458 HE3 TRP 70 3HE TRP 70 0.523 -1.309 -4.200 459 HZ2 TRP 70 2HZ TRP 70 -1.199 -5.804 -2.645 460 HZ3 TRP 70 3HZ TRP 70 -1.092 -2.641 -5.552 461 HH2 TRP 70 HH TRP 70 -1.950 -4.816 -4.840 462 H PHE 71 H PHE 71 4.892 -0.057 -3.963 463 HA PHE 71 HA PHE 71 5.792 2.185 -2.294 464 1HB PHE 71 1HB PHE 71 6.952 0.520 -4.554 465 2HB PHE 71 2HB PHE 71 7.421 2.207 -4.497 466 HD1 PHE 71 1HD PHE 71 6.743 0.780 -1.277 467 HD2 PHE 71 2HD PHE 71 9.746 1.240 -4.239 468 HE1 PHE 71 1HE PHE 71 8.505 0.232 0.425 469 HE2 PHE 71 2HE PHE 71 11.508 0.692 -2.538 470 HZ PHE 71 HZ PHE 71 10.867 0.195 -0.226 471 H MET 72 H MET 72 6.387 4.160 -3.888 472 HA MET 72 HA MET 72 3.932 4.582 -5.379 473 1HB MET 72 1HB MET 72 4.738 7.037 -5.235 474 2HB MET 72 2HB MET 72 4.341 6.287 -3.702 475 1HG MET 72 1HG MET 72 7.161 5.845 -4.490 476 2HG MET 72 2HG MET 72 6.764 7.543 -4.325 477 1HE MET 72 1HE MET 72 8.621 6.826 -1.236 478 2HE MET 72 2HE MET 72 8.469 5.123 -1.731 479 3HE MET 72 3HE MET 72 8.792 6.379 -2.950 480 H THR 73 H THR 73 4.074 4.148 -7.540 481 HA THR 73 HA THR 73 5.086 3.724 -9.521 482 HB THR 73 HB THR 73 5.056 6.611 -8.812 483 HG1 THR 73 1HG THR 73 3.905 6.471 -10.884 484 1HG2 THR 73 1HG2 THR 73 6.061 7.074 -11.185 485 2HG2 THR 73 2HG2 THR 73 7.210 6.811 -9.851 486 3HG2 THR 73 3HG2 THR 73 6.864 5.497 -11.001 487 H THR 74 H THR 74 6.651 2.153 -9.105 488 HA THR 74 HA THR 74 9.378 3.242 -9.116 489 HB THR 74 HB THR 74 8.697 2.499 -6.788 490 HG1 THR 74 1HG THR 74 10.910 2.287 -7.476 491 1HG2 THR 74 1HG2 THR 74 8.986 -0.359 -7.508 492 2HG2 THR 74 2HG2 THR 74 7.852 0.404 -6.368 493 3HG2 THR 74 3HG2 THR 74 7.466 0.349 -8.105 Start of MODEL 14 1 H ARG 13 H ARG 13 -10.843 9.132 -1.790 2 HA ARG 13 HA ARG 13 -10.232 11.292 -0.271 3 1HB ARG 13 1HB ARG 13 -12.363 12.050 -1.857 4 2HB ARG 13 2HB ARG 13 -13.214 11.425 -0.459 5 1HG ARG 13 1HG ARG 13 -12.812 13.801 -0.100 6 2HG ARG 13 2HG ARG 13 -11.812 12.903 1.025 7 1HD ARG 13 1HD ARG 13 -9.819 13.258 -0.302 8 2HD ARG 13 2HD ARG 13 -10.746 13.815 -1.681 9 HE ARG 13 HE ARG 13 -11.449 15.600 0.325 10 1HH1 ARG 13 2HH2 ARG 13 -8.390 14.533 -1.049 11 2HH1 ARG 13 1HH2 ARG 13 -7.579 16.030 -0.732 12 1HH2 ARG 13 2HH1 ARG 13 -10.379 17.576 0.743 13 2HH2 ARG 13 1HH1 ARG 13 -8.718 17.773 0.294 14 H SER 14 H SER 14 -9.661 9.365 0.978 15 HA SER 14 HA SER 14 -11.435 8.732 2.942 16 1HB SER 14 1HB SER 14 -12.838 7.491 1.462 17 2HB SER 14 2HB SER 14 -11.476 6.768 0.630 18 HG SER 14 HG SER 14 -12.389 5.216 2.042 19 H ASN 15 H ASN 15 -9.720 6.057 1.297 20 HA ASN 15 HA ASN 15 -7.713 6.249 3.394 21 1HB ASN 15 1HB ASN 15 -9.272 4.117 2.896 22 2HB ASN 15 2HB ASN 15 -8.082 3.795 1.651 23 1HD2 ASN 15 1HD2 ASN 15 -7.789 1.858 2.989 24 2HD2 ASN 15 2HD2 ASN 15 -6.656 1.893 4.298 25 H ALA 16 H ALA 16 -8.308 5.567 -0.118 26 HA ALA 16 HA ALA 16 -5.844 5.078 -1.064 27 1HB ALA 16 1HB ALA 16 -6.642 5.871 -3.159 28 2HB ALA 16 2HB ALA 16 -8.095 5.339 -2.280 29 3HB ALA 16 3HB ALA 16 -7.707 7.072 -2.390 30 H GLU 17 H GLU 17 -7.199 8.318 -0.196 31 HA GLU 17 HA GLU 17 -4.894 9.687 -1.003 32 1HB GLU 17 1HB GLU 17 -5.903 11.612 0.167 33 2HB GLU 17 2HB GLU 17 -7.101 10.776 -0.801 34 1HG GLU 17 1HG GLU 17 -8.335 10.853 1.135 35 2HG GLU 17 2HG GLU 17 -7.417 9.417 1.542 36 H ILE 18 H ILE 18 -6.002 8.227 2.081 37 HA ILE 18 HA ILE 18 -3.939 9.370 3.646 38 HB ILE 18 HB ILE 18 -6.009 7.251 3.981 39 1HG1 ILE 18 1HG1 ILE 18 -5.289 9.691 5.631 40 2HG1 ILE 18 2HG1 ILE 18 -6.476 9.676 4.343 41 1HG2 ILE 18 1HG2 ILE 18 -5.173 6.623 6.165 42 2HG2 ILE 18 2HG2 ILE 18 -3.955 6.254 4.920 43 3HG2 ILE 18 3HG2 ILE 18 -3.757 7.683 5.962 44 1HD1 ILE 18 1HD1 ILE 18 -7.518 9.378 6.596 45 2HD1 ILE 18 2HD1 ILE 18 -7.816 7.982 5.533 46 3HD1 ILE 18 3HD1 ILE 18 -6.581 7.880 6.810 47 H VAL 19 H VAL 19 -4.251 6.502 1.567 48 HA VAL 19 HA VAL 19 -1.943 5.205 2.585 49 HB VAL 19 HB VAL 19 -3.106 4.842 -0.164 50 1HG1 VAL 19 1HG1 VAL 19 -1.534 3.234 -0.112 51 2HG1 VAL 19 2HG1 VAL 19 -1.349 3.339 1.655 52 3HG1 VAL 19 3HG1 VAL 19 -2.665 2.366 0.954 53 1HG2 VAL 19 1HG2 VAL 19 -4.433 3.052 1.542 54 2HG2 VAL 19 2HG2 VAL 19 -4.532 4.633 2.354 55 3HG2 VAL 19 3HG2 VAL 19 -5.132 4.448 0.689 56 H CYS 20 H CYS 20 -2.633 7.539 -0.059 57 HA CYS 20 HA CYS 20 -0.053 7.375 -1.174 58 1HB CYS 20 1HB CYS 20 -2.437 9.134 -1.503 59 2HB CYS 20 2HB CYS 20 -0.895 9.798 -2.006 60 HG CYS 20 HG CYS 20 -2.223 6.874 -2.825 61 H GLU 21 H GLU 21 -1.627 9.238 1.442 62 HA GLU 21 HA GLU 21 0.431 11.131 1.682 63 1HB GLU 21 1HB GLU 21 -2.100 10.507 2.971 64 2HB GLU 21 2HB GLU 21 -0.891 10.847 4.193 65 1HG GLU 21 1HG GLU 21 -0.384 12.837 2.311 66 2HG GLU 21 2HG GLU 21 -2.125 12.670 2.202 67 H ALA 22 H ALA 22 -0.228 7.911 3.110 68 HA ALA 22 HA ALA 22 1.800 8.082 5.079 69 1HB ALA 22 1HB ALA 22 1.038 5.410 4.055 70 2HB ALA 22 2HB ALA 22 0.968 6.065 5.709 71 3HB ALA 22 3HB ALA 22 -0.332 6.433 4.551 72 H ILE 23 H ILE 23 1.592 6.361 1.881 73 HA ILE 23 HA ILE 23 4.156 5.395 1.842 74 HB ILE 23 HB ILE 23 2.408 4.752 0.290 75 1HG1 ILE 23 1HG1 ILE 23 4.962 5.815 -0.933 76 2HG1 ILE 23 2HG1 ILE 23 4.635 4.191 -0.362 77 1HG2 ILE 23 1HG2 ILE 23 1.521 7.115 0.006 78 2HG2 ILE 23 2HG2 ILE 23 2.825 7.358 -1.181 79 3HG2 ILE 23 3HG2 ILE 23 1.589 6.108 -1.460 80 1HD1 ILE 23 1HD1 ILE 23 2.950 3.859 -2.134 81 2HD1 ILE 23 2HD1 ILE 23 3.176 5.538 -2.683 82 3HD1 ILE 23 3HD1 ILE 23 4.501 4.360 -2.850 83 H LYS 24 H LYS 24 2.922 8.650 0.909 84 HA LYS 24 HA LYS 24 5.304 9.604 -0.160 85 1HB LYS 24 1HB LYS 24 2.742 10.714 0.791 86 2HB LYS 24 2HB LYS 24 4.090 11.827 0.897 87 1HG LYS 24 1HG LYS 24 4.548 10.774 -1.594 88 2HG LYS 24 2HG LYS 24 2.804 10.627 -1.523 89 1HD LYS 24 1HD LYS 24 2.597 12.836 -1.977 90 2HD LYS 24 2HD LYS 24 3.436 13.221 -0.487 91 1HE LYS 24 1HE LYS 24 5.600 13.195 -1.590 92 2HE LYS 24 2HE LYS 24 4.928 12.477 -3.040 93 1HZ LYS 24 1HZ LYS 24 3.457 14.627 -2.905 94 2HZ LYS 24 2HZ LYS 24 4.765 15.207 -2.119 95 3HZ LYS 24 3HZ LYS 24 4.916 14.628 -3.639 96 H THR 25 H THR 25 3.991 9.793 3.216 97 HA THR 25 HA THR 25 6.199 11.160 4.270 98 HB THR 25 HB THR 25 3.970 9.401 5.377 99 HG1 THR 25 1HG THR 25 4.827 12.192 5.674 100 1HG2 THR 25 1HG2 THR 25 4.626 10.225 7.640 101 2HG2 THR 25 2HG2 THR 25 5.904 9.191 6.958 102 3HG2 THR 25 3HG2 THR 25 6.091 10.961 6.947 103 H ILE 26 H ILE 26 5.774 7.818 3.293 104 HA ILE 26 HA ILE 26 7.874 6.825 4.950 105 HB ILE 26 HB ILE 26 6.456 5.679 2.543 106 1HG1 ILE 26 1HG1 ILE 26 5.313 6.208 4.901 107 2HG1 ILE 26 2HG1 ILE 26 4.897 4.806 3.934 108 1HG2 ILE 26 1HG2 ILE 26 8.554 4.520 4.370 109 2HG2 ILE 26 2HG2 ILE 26 7.370 3.488 3.533 110 3HG2 ILE 26 3HG2 ILE 26 8.479 4.514 2.592 111 1HD1 ILE 26 1HD1 ILE 26 6.297 3.350 5.249 112 2HD1 ILE 26 2HD1 ILE 26 7.089 4.728 6.049 113 3HD1 ILE 26 3HD1 ILE 26 5.388 4.349 6.408 114 H GLY 27 H GLY 27 8.046 6.060 1.518 115 1HA GLY 27 1HA GLY 27 9.536 7.614 0.152 116 2HA GLY 27 2HA GLY 27 10.695 7.354 1.440 117 H ILE 28 H ILE 28 11.073 4.909 2.031 118 HA ILE 28 HA ILE 28 11.147 3.411 -0.497 119 HB ILE 28 HB ILE 28 13.275 2.739 -0.106 120 1HG1 ILE 28 1HG1 ILE 28 14.284 2.985 2.316 121 2HG1 ILE 28 2HG1 ILE 28 12.603 2.981 2.810 122 1HG2 ILE 28 1HG2 ILE 28 13.731 5.154 1.558 123 2HG2 ILE 28 2HG2 ILE 28 14.498 4.635 0.038 124 3HG2 ILE 28 3HG2 ILE 28 12.890 5.397 0.008 125 1HD1 ILE 28 1HD1 ILE 28 12.271 0.778 2.192 126 2HD1 ILE 28 2HD1 ILE 28 13.409 0.880 0.827 127 3HD1 ILE 28 3HD1 ILE 28 14.025 0.703 2.487 128 H GLU 29 H GLU 29 10.445 3.466 2.986 129 HA GLU 29 HA GLU 29 10.128 0.716 3.277 130 1HB GLU 29 1HB GLU 29 10.162 2.837 4.982 131 2HB GLU 29 2HB GLU 29 8.434 2.555 4.924 132 1HG GLU 29 1HG GLU 29 8.582 0.521 6.008 133 2HG GLU 29 2HG GLU 29 10.094 0.093 5.233 134 H GLY 30 H GLY 30 8.394 2.915 1.375 135 1HA GLY 30 1HA GLY 30 6.267 2.989 0.564 136 2HA GLY 30 2HA GLY 30 6.608 1.299 0.250 137 H ALA 31 H ALA 31 4.312 0.817 0.507 138 HA ALA 31 HA ALA 31 3.474 0.882 3.326 139 1HB ALA 31 1HB ALA 31 1.520 1.769 2.656 140 2HB ALA 31 2HB ALA 31 2.236 1.979 1.040 141 3HB ALA 31 3HB ALA 31 1.312 0.506 1.419 142 H THR 32 H THR 32 4.375 -1.130 3.912 143 HA THR 32 HA THR 32 3.879 -3.432 2.252 144 HB THR 32 HB THR 32 5.929 -2.792 3.836 145 HG1 THR 32 1HG THR 32 6.310 -5.017 3.619 146 1HG2 THR 32 1HG2 THR 32 4.059 -4.356 5.694 147 2HG2 THR 32 2HG2 THR 32 5.767 -3.972 6.014 148 3HG2 THR 32 3HG2 THR 32 4.559 -2.667 5.948 149 H ALA 33 H ALA 33 3.225 -5.485 3.857 150 HA ALA 33 HA ALA 33 0.468 -5.267 4.036 151 1HB ALA 33 1HB ALA 33 0.578 -7.464 5.024 152 2HB ALA 33 2HB ALA 33 1.882 -7.354 3.817 153 3HB ALA 33 3HB ALA 33 2.258 -7.204 5.550 154 H ALA 34 H ALA 34 2.643 -5.847 6.884 155 HA ALA 34 HA ALA 34 0.950 -5.235 8.857 156 1HB ALA 34 1HB ALA 34 3.899 -4.876 8.450 157 2HB ALA 34 2HB ALA 34 3.167 -4.164 9.908 158 3HB ALA 34 3HB ALA 34 3.024 -5.911 9.603 159 H GLN 35 H GLN 35 2.935 -2.820 7.011 160 HA GLN 35 HA GLN 35 2.357 -0.573 8.255 161 1HB GLN 35 1HB GLN 35 2.911 -1.328 5.479 162 2HB GLN 35 2HB GLN 35 1.924 0.119 5.551 163 1HG GLN 35 1HG GLN 35 4.061 0.210 7.561 164 2HG GLN 35 2HG GLN 35 4.721 -0.050 5.958 165 1HE2 GLN 35 1HE2 GLN 35 2.673 2.009 7.936 166 2HE2 GLN 35 2HE2 GLN 35 2.796 3.453 6.988 167 H LEU 36 H LEU 36 0.352 -1.172 5.312 168 HA LEU 36 HA LEU 36 -1.736 0.411 6.053 169 1HB LEU 36 1HB LEU 36 -1.373 -1.881 4.195 170 2HB LEU 36 2HB LEU 36 -3.017 -1.391 4.550 171 HG LEU 36 HG LEU 36 -2.223 0.999 3.924 172 1HD1 LEU 36 1HD1 LEU 36 -0.364 1.163 2.405 173 2HD1 LEU 36 2HD1 LEU 36 0.194 0.423 3.924 174 3HD1 LEU 36 3HD1 LEU 36 -0.082 -0.593 2.489 175 1HD2 LEU 36 1HD2 LEU 36 -2.847 -1.294 2.110 176 2HD2 LEU 36 2HD2 LEU 36 -3.796 0.164 2.489 177 3HD2 LEU 36 3HD2 LEU 36 -2.399 0.272 1.391 178 H THR 37 H THR 37 -1.387 -3.159 6.608 179 HA THR 37 HA THR 37 -3.746 -3.702 7.812 180 HB THR 37 HB THR 37 -0.897 -4.625 8.430 181 HG1 THR 37 1HG THR 37 -2.176 -4.908 6.302 182 1HG2 THR 37 1HG2 THR 37 -1.720 -6.365 9.762 183 2HG2 THR 37 2HG2 THR 37 -2.870 -5.087 10.223 184 3HG2 THR 37 3HG2 THR 37 -3.334 -6.306 9.012 185 H ARG 38 H ARG 38 -1.226 -1.571 9.018 186 HA ARG 38 HA ARG 38 -2.424 -1.614 11.635 187 1HB ARG 38 1HB ARG 38 -0.010 -0.125 10.490 188 2HB ARG 38 2HB ARG 38 -0.550 0.060 12.147 189 1HG ARG 38 1HG ARG 38 0.034 -2.152 12.735 190 2HG ARG 38 2HG ARG 38 -0.061 -2.729 11.083 191 1HD ARG 38 1HD ARG 38 2.260 -2.628 11.366 192 2HD ARG 38 2HD ARG 38 1.958 -1.051 10.665 193 HE ARG 38 HE ARG 38 2.590 -0.069 12.689 194 1HH1 ARG 38 2HH2 ARG 38 1.740 -3.433 13.276 195 2HH1 ARG 38 1HH2 ARG 38 2.238 -3.403 14.935 196 1HH2 ARG 38 2HH1 ARG 38 3.246 -0.028 14.877 197 2HH2 ARG 38 1HH1 ARG 38 3.100 -1.453 15.852 198 H GLN 39 H GLN 39 -1.993 0.493 8.754 199 HA GLN 39 HA GLN 39 -2.862 2.856 9.789 200 1HB GLN 39 1HB GLN 39 -2.927 1.597 7.055 201 2HB GLN 39 2HB GLN 39 -3.818 3.087 7.289 202 1HG GLN 39 1HG GLN 39 -1.635 3.773 6.592 203 2HG GLN 39 2HG GLN 39 -1.677 4.077 8.317 204 1HE2 GLN 39 1HE2 GLN 39 -0.893 2.308 9.735 205 2HE2 GLN 39 2HE2 GLN 39 0.498 1.401 9.240 206 H LEU 40 H LEU 40 -4.697 -0.060 8.919 207 HA LEU 40 HA LEU 40 -7.203 1.383 9.328 208 1HB LEU 40 1HB LEU 40 -7.978 -1.095 8.679 209 2HB LEU 40 2HB LEU 40 -7.653 0.172 7.513 210 HG LEU 40 HG LEU 40 -5.427 -1.667 8.333 211 1HD1 LEU 40 1HD1 LEU 40 -7.825 -2.709 7.421 212 2HD1 LEU 40 2HD1 LEU 40 -6.837 -2.578 5.947 213 3HD1 LEU 40 3HD1 LEU 40 -6.231 -3.496 7.346 214 1HD2 LEU 40 1HD2 LEU 40 -4.936 0.298 6.943 215 2HD2 LEU 40 2HD2 LEU 40 -4.622 -1.227 6.080 216 3HD2 LEU 40 3HD2 LEU 40 -6.089 -0.285 5.718 217 H ASN 41 H ASN 41 -7.063 -2.044 10.025 218 HA ASN 41 HA ASN 41 -6.581 -1.663 12.799 219 1HB ASN 41 1HB ASN 41 -9.303 -1.513 11.794 220 2HB ASN 41 2HB ASN 41 -9.144 -2.994 12.718 221 1HD2 ASN 41 1HD2 ASN 41 -7.425 0.081 13.104 222 2HD2 ASN 41 2HD2 ASN 41 -7.983 0.456 14.700 223 H MET 42 H MET 42 -5.724 -3.237 10.321 224 HA MET 42 HA MET 42 -4.873 -5.233 10.007 225 1HB MET 42 1HB MET 42 -5.105 -5.321 12.689 226 2HB MET 42 2HB MET 42 -6.389 -6.462 12.338 227 1HG MET 42 1HG MET 42 -4.913 -8.110 11.770 228 2HG MET 42 2HG MET 42 -3.980 -7.037 10.746 229 1HE MET 42 1HE MET 42 -2.929 -8.998 14.315 230 2HE MET 42 2HE MET 42 -3.579 -9.360 12.697 231 3HE MET 42 3HE MET 42 -1.846 -9.011 12.903 232 H GLU 43 H GLU 43 -7.273 -4.343 8.757 233 HA GLU 43 HA GLU 43 -8.935 -6.719 8.734 234 1HB GLU 43 1HB GLU 43 -9.329 -3.836 8.042 235 2HB GLU 43 2HB GLU 43 -10.203 -4.984 7.048 236 1HG GLU 43 1HG GLU 43 -10.252 -5.158 10.087 237 2HG GLU 43 2HG GLU 43 -11.366 -4.125 9.215 238 H LYS 44 H LYS 44 -6.862 -7.732 7.679 239 HA LYS 44 HA LYS 44 -5.830 -7.124 5.289 240 1HB LYS 44 1HB LYS 44 -5.100 -9.022 6.597 241 2HB LYS 44 2HB LYS 44 -6.620 -9.855 6.339 242 1HG LYS 44 1HG LYS 44 -6.184 -9.987 3.909 243 2HG LYS 44 2HG LYS 44 -4.721 -9.040 4.089 244 1HD LYS 44 1HD LYS 44 -4.256 -11.057 5.917 245 2HD LYS 44 2HD LYS 44 -5.208 -11.913 4.721 246 1HE LYS 44 1HE LYS 44 -3.655 -11.310 2.936 247 2HE LYS 44 2HE LYS 44 -2.796 -10.196 3.980 248 1HZ LYS 44 1HZ LYS 44 -2.257 -12.840 3.634 249 2HZ LYS 44 2HZ LYS 44 -1.600 -11.857 4.761 250 3HZ LYS 44 3HZ LYS 44 -2.908 -12.763 5.130 251 H ARG 45 H ARG 45 -9.147 -8.165 5.951 252 HA ARG 45 HA ARG 45 -9.803 -9.002 3.415 253 1HB ARG 45 1HB ARG 45 -11.580 -7.569 5.456 254 2HB ARG 45 2HB ARG 45 -12.163 -8.533 4.114 255 1HG ARG 45 1HG ARG 45 -10.352 -10.255 5.389 256 2HG ARG 45 2HG ARG 45 -11.102 -9.409 6.728 257 1HD ARG 45 1HD ARG 45 -13.372 -9.931 5.494 258 2HD ARG 45 2HD ARG 45 -12.440 -11.113 4.597 259 HE ARG 45 HE ARG 45 -13.290 -11.333 7.359 260 1HH1 ARG 45 2HH2 ARG 45 -10.693 -12.223 5.157 261 2HH1 ARG 45 1HH2 ARG 45 -10.215 -13.610 6.078 262 1HH2 ARG 45 2HH1 ARG 45 -12.659 -13.163 8.574 263 2HH2 ARG 45 1HH1 ARG 45 -11.341 -14.148 8.035 264 H GLU 46 H GLU 46 -10.125 -5.743 4.995 265 HA GLU 46 HA GLU 46 -11.077 -4.570 2.602 266 1HB GLU 46 1HB GLU 46 -11.236 -2.562 3.855 267 2HB GLU 46 2HB GLU 46 -11.551 -3.827 5.026 268 1HG GLU 46 1HG GLU 46 -9.239 -3.716 5.856 269 2HG GLU 46 2HG GLU 46 -8.793 -2.592 4.587 270 H VAL 47 H VAL 47 -7.927 -4.894 4.276 271 HA VAL 47 HA VAL 47 -6.559 -3.009 2.690 272 HB VAL 47 HB VAL 47 -6.065 -4.454 4.955 273 1HG1 VAL 47 1HG1 VAL 47 -4.063 -5.489 2.933 274 2HG1 VAL 47 2HG1 VAL 47 -4.255 -5.956 4.639 275 3HG1 VAL 47 3HG1 VAL 47 -5.489 -6.422 3.444 276 1HG2 VAL 47 1HG2 VAL 47 -4.206 -3.112 5.171 277 2HG2 VAL 47 2HG2 VAL 47 -3.725 -3.310 3.468 278 3HG2 VAL 47 3HG2 VAL 47 -5.084 -2.240 3.891 279 H ASN 48 H ASN 48 -7.590 -6.356 2.222 280 HA ASN 48 HA ASN 48 -5.733 -6.883 0.168 281 1HB ASN 48 1HB ASN 48 -8.140 -8.214 1.368 282 2HB ASN 48 2HB ASN 48 -7.793 -8.658 -0.292 283 1HD2 ASN 48 1HD2 ASN 48 -7.256 -10.745 0.293 284 2HD2 ASN 48 2HD2 ASN 48 -5.764 -11.163 1.069 285 H LYS 49 H LYS 49 -9.368 -6.499 0.199 286 HA LYS 49 HA LYS 49 -9.680 -6.279 -2.536 287 1HB LYS 49 1HB LYS 49 -11.331 -6.380 -0.360 288 2HB LYS 49 2HB LYS 49 -11.551 -4.716 -0.861 289 1HG LYS 49 1HG LYS 49 -12.289 -5.347 -3.054 290 2HG LYS 49 2HG LYS 49 -11.658 -6.974 -2.894 291 1HD LYS 49 1HD LYS 49 -13.972 -7.286 -2.548 292 2HD LYS 49 2HD LYS 49 -13.347 -7.229 -0.912 293 1HE LYS 49 1HE LYS 49 -14.953 -5.631 -0.581 294 2HE LYS 49 2HE LYS 49 -13.808 -4.551 -1.351 295 1HZ LYS 49 1HZ LYS 49 -14.888 -4.791 -3.382 296 2HZ LYS 49 2HZ LYS 49 -15.738 -6.104 -2.912 297 3HZ LYS 49 3HZ LYS 49 -16.105 -4.634 -2.304 298 H ALA 50 H ALA 50 -8.498 -3.963 -0.149 299 HA ALA 50 HA ALA 50 -8.907 -1.690 -1.841 300 1HB ALA 50 1HB ALA 50 -7.274 -2.127 0.692 301 2HB ALA 50 2HB ALA 50 -7.570 -0.548 -0.073 302 3HB ALA 50 3HB ALA 50 -8.930 -1.481 0.595 303 H LEU 51 H LEU 51 -6.158 -3.843 -0.901 304 HA LEU 51 HA LEU 51 -4.204 -2.446 -2.320 305 1HB LEU 51 1HB LEU 51 -4.509 -5.086 -1.042 306 2HB LEU 51 2HB LEU 51 -3.316 -5.016 -2.323 307 HG LEU 51 HG LEU 51 -2.042 -3.349 -1.192 308 1HD1 LEU 51 1HD1 LEU 51 -2.894 -1.813 0.165 309 2HD1 LEU 51 2HD1 LEU 51 -4.495 -2.546 -0.094 310 3HD1 LEU 51 3HD1 LEU 51 -3.496 -3.055 1.289 311 1HD2 LEU 51 1HD2 LEU 51 -2.779 -5.072 1.138 312 2HD2 LEU 51 2HD2 LEU 51 -2.153 -5.844 -0.338 313 3HD2 LEU 51 3HD2 LEU 51 -1.179 -4.617 0.506 314 H TYR 52 H TYR 52 -6.541 -5.002 -3.275 315 HA TYR 52 HA TYR 52 -5.422 -5.448 -5.821 316 1HB TYR 52 1HB TYR 52 -8.134 -5.767 -4.424 317 2HB TYR 52 2HB TYR 52 -7.963 -6.229 -6.106 318 HD1 TYR 52 1HD TYR 52 -5.590 -6.689 -3.240 319 HD2 TYR 52 2HD TYR 52 -8.105 -8.559 -6.152 320 HE1 TYR 52 1HE TYR 52 -4.726 -8.972 -2.530 321 HE2 TYR 52 2HE TYR 52 -7.233 -10.836 -5.432 322 HH TYR 52 HH TYR 52 -5.670 -11.882 -4.286 323 H ASP 53 H ASP 53 -8.402 -3.607 -4.828 324 HA ASP 53 HA ASP 53 -9.084 -2.658 -7.237 325 1HB ASP 53 1HB ASP 53 -9.708 -2.094 -4.539 326 2HB ASP 53 2HB ASP 53 -9.239 -0.539 -5.199 327 H LEU 54 H LEU 54 -6.680 -1.302 -4.883 328 HA LEU 54 HA LEU 54 -6.055 0.970 -6.428 329 1HB LEU 54 1HB LEU 54 -4.777 -0.455 -4.115 330 2HB LEU 54 2HB LEU 54 -3.953 0.870 -4.913 331 HG LEU 54 HG LEU 54 -6.545 0.932 -3.371 332 1HD1 LEU 54 1HD1 LEU 54 -5.417 2.632 -2.049 333 2HD1 LEU 54 2HD1 LEU 54 -4.445 1.142 -2.109 334 3HD1 LEU 54 3HD1 LEU 54 -3.991 2.542 -3.110 335 1HD2 LEU 54 1HD2 LEU 54 -6.370 3.487 -4.072 336 2HD2 LEU 54 2HD2 LEU 54 -5.623 2.778 -5.525 337 3HD2 LEU 54 3HD2 LEU 54 -7.269 2.298 -5.045 338 H GLN 55 H GLN 55 -4.883 -2.403 -6.336 339 HA GLN 55 HA GLN 55 -2.567 -1.982 -7.789 340 1HB GLN 55 1HB GLN 55 -3.058 -4.061 -6.541 341 2HB GLN 55 2HB GLN 55 -4.366 -4.441 -7.643 342 1HG GLN 55 1HG GLN 55 -2.465 -4.203 -9.504 343 2HG GLN 55 2HG GLN 55 -1.385 -4.486 -8.154 344 1HE2 GLN 55 1HE2 GLN 55 -1.109 -6.325 -9.855 345 2HE2 GLN 55 2HE2 GLN 55 -1.949 -7.800 -9.507 346 H ARG 56 H ARG 56 -5.959 -2.679 -8.806 347 HA ARG 56 HA ARG 56 -5.184 -2.733 -11.542 348 1HB ARG 56 1HB ARG 56 -8.053 -2.445 -10.591 349 2HB ARG 56 2HB ARG 56 -7.451 -3.316 -11.988 350 1HG ARG 56 1HG ARG 56 -7.356 -4.131 -9.069 351 2HG ARG 56 2HG ARG 56 -7.980 -5.034 -10.435 352 1HD ARG 56 1HD ARG 56 -5.314 -4.674 -11.159 353 2HD ARG 56 2HD ARG 56 -5.196 -4.838 -9.419 354 HE ARG 56 HE ARG 56 -5.923 -7.077 -9.579 355 1HH1 ARG 56 2HH2 ARG 56 -6.351 -5.441 -12.665 356 2HH1 ARG 56 1HH2 ARG 56 -6.694 -6.898 -13.536 357 1HH2 ARG 56 2HH1 ARG 56 -6.375 -9.001 -10.727 358 2HH2 ARG 56 1HH1 ARG 56 -6.708 -8.937 -12.426 359 H SER 57 H SER 57 -5.991 -0.337 -9.175 360 HA SER 57 HA SER 57 -7.189 1.493 -10.980 361 1HB SER 57 1HB SER 57 -7.628 1.451 -8.504 362 2HB SER 57 2HB SER 57 -5.981 1.976 -8.220 363 HG SER 57 HG SER 57 -6.606 3.851 -9.731 364 H ALA 58 H ALA 58 -3.922 0.690 -9.835 365 HA ALA 58 HA ALA 58 -1.953 1.248 -10.742 366 1HB ALA 58 1HB ALA 58 -3.096 3.509 -12.362 367 2HB ALA 58 2HB ALA 58 -1.798 2.361 -12.769 368 3HB ALA 58 3HB ALA 58 -3.499 1.837 -12.823 369 H MET 59 H MET 59 -3.637 2.572 -8.480 370 HA MET 59 HA MET 59 -2.536 5.194 -8.364 371 1HB MET 59 1HB MET 59 -3.884 3.537 -6.161 372 2HB MET 59 2HB MET 59 -3.728 5.283 -6.190 373 1HG MET 59 1HG MET 59 -5.001 4.357 -8.654 374 2HG MET 59 2HG MET 59 -5.860 3.725 -7.263 375 1HE MET 59 1HE MET 59 -5.853 7.941 -8.840 376 2HE MET 59 2HE MET 59 -4.418 6.899 -8.993 377 3HE MET 59 3HE MET 59 -5.974 6.378 -9.682 378 H VAL 60 H VAL 60 -1.526 1.978 -7.474 379 HA VAL 60 HA VAL 60 0.827 3.125 -6.202 380 HB VAL 60 HB VAL 60 0.712 1.685 -4.307 381 1HG1 VAL 60 1HG1 VAL 60 -1.035 2.699 -3.084 382 2HG1 VAL 60 2HG1 VAL 60 -0.628 3.870 -4.361 383 3HG1 VAL 60 3HG1 VAL 60 -2.074 2.845 -4.522 384 1HG2 VAL 60 1HG2 VAL 60 -1.990 0.636 -5.158 385 2HG2 VAL 60 2HG2 VAL 60 -0.480 -0.178 -5.634 386 3HG2 VAL 60 3HG2 VAL 60 -0.885 0.010 -3.911 387 H TYR 61 H TYR 61 2.584 1.399 -5.991 388 HA TYR 61 HA TYR 61 2.243 -0.612 -8.111 389 1HB TYR 61 1HB TYR 61 4.232 1.586 -7.551 390 2HB TYR 61 2HB TYR 61 4.957 0.056 -8.002 391 HD1 TYR 61 1HD TYR 61 5.790 0.423 -10.163 392 HD2 TYR 61 2HD TYR 61 1.776 1.587 -9.246 393 HE1 TYR 61 1HE TYR 61 5.376 0.955 -12.614 394 HE2 TYR 61 2HE TYR 61 1.376 2.115 -11.700 395 HH TYR 61 HH TYR 61 4.013 2.028 -14.015 396 H SER 62 H SER 62 4.691 -1.905 -7.867 397 HA SER 62 HA SER 62 4.660 -2.736 -5.072 398 1HB SER 62 1HB SER 62 3.859 -4.269 -7.314 399 2HB SER 62 2HB SER 62 5.453 -4.873 -6.906 400 HG SER 62 HG SER 62 4.440 -5.991 -5.389 401 H SER 63 H SER 63 6.768 -3.963 -4.478 402 HA SER 63 HA SER 63 8.930 -2.421 -5.579 403 1HB SER 63 1HB SER 63 8.779 -2.586 -3.147 404 2HB SER 63 2HB SER 63 8.742 -4.337 -3.216 405 HG SER 63 HG SER 63 10.870 -4.268 -3.082 406 H ASP 64 H ASP 64 7.420 -5.480 -6.033 407 HA ASP 64 HA ASP 64 7.936 -7.289 -7.113 408 1HB ASP 64 1HB ASP 64 8.465 -5.613 -8.918 409 2HB ASP 64 2HB ASP 64 10.135 -5.592 -8.388 410 H ASP 65 H ASP 65 9.116 -7.073 -4.531 411 HA ASP 65 HA ASP 65 11.180 -8.955 -4.772 412 1HB ASP 65 1HB ASP 65 11.920 -6.123 -4.569 413 2HB ASP 65 2HB ASP 65 12.513 -7.018 -3.184 414 H ILE 66 H ILE 66 11.865 -9.692 -2.517 415 HA ILE 66 HA ILE 66 9.704 -9.174 -0.643 416 HB ILE 66 HB ILE 66 11.855 -11.280 -0.802 417 1HG1 ILE 66 1HG1 ILE 66 9.492 -12.595 -0.801 418 2HG1 ILE 66 2HG1 ILE 66 8.992 -11.107 -1.578 419 1HG2 ILE 66 1HG2 ILE 66 11.267 -12.158 1.230 420 2HG2 ILE 66 2HG2 ILE 66 11.085 -10.420 1.567 421 3HG2 ILE 66 3HG2 ILE 66 9.650 -11.413 1.215 422 1HD1 ILE 66 1HD1 ILE 66 10.868 -13.220 -2.547 423 2HD1 ILE 66 2HD1 ILE 66 9.754 -12.179 -3.465 424 3HD1 ILE 66 3HD1 ILE 66 11.325 -11.542 -2.924 425 HA PRO 67 HA PRO 67 9.338 -9.355 1.255 426 1HB PRO 67 1HB PRO 67 8.323 -7.575 3.063 427 2HB PRO 67 2HB PRO 67 9.244 -8.992 3.527 428 1HG PRO 67 1HG PRO 67 10.092 -6.160 3.491 429 2HG PRO 67 2HG PRO 67 10.821 -7.514 4.332 430 1HD PRO 67 1HD PRO 67 11.768 -6.279 1.923 431 2HD PRO 67 2HD PRO 67 12.429 -7.704 2.700 432 HA PRO 68 HA PRO 68 6.792 -7.069 -1.256 433 1HB PRO 68 1HB PRO 68 4.257 -7.601 -0.385 434 2HB PRO 68 2HB PRO 68 5.178 -8.706 -1.386 435 1HG PRO 68 1HG PRO 68 4.584 -8.879 1.505 436 2HG PRO 68 2HG PRO 68 5.118 -10.144 0.416 437 1HD PRO 68 1HD PRO 68 6.719 -8.751 2.346 438 2HD PRO 68 2HD PRO 68 7.277 -9.933 1.179 439 H ARG 69 H ARG 69 6.215 -4.998 -1.648 440 HA ARG 69 HA ARG 69 4.972 -3.620 0.519 441 1HB ARG 69 1HB ARG 69 7.716 -2.762 -0.529 442 2HB ARG 69 2HB ARG 69 6.706 -1.764 0.498 443 1HG ARG 69 1HG ARG 69 6.717 -3.659 2.213 444 2HG ARG 69 2HG ARG 69 7.892 -4.485 1.210 445 1HD ARG 69 1HD ARG 69 9.566 -3.251 2.119 446 2HD ARG 69 2HD ARG 69 8.815 -1.776 1.543 447 HE ARG 69 HE ARG 69 8.080 -1.362 3.716 448 1HH1 ARG 69 2HH2 ARG 69 8.696 -4.810 3.381 449 2HH1 ARG 69 1HH2 ARG 69 8.384 -5.158 5.049 450 1HH2 ARG 69 2HH1 ARG 69 7.668 -1.820 5.917 451 2HH2 ARG 69 1HH1 ARG 69 7.795 -3.446 6.501 452 H TRP 70 H TRP 70 3.653 -1.941 -0.277 453 HA TRP 70 HA TRP 70 3.554 -1.719 -3.163 454 1HB TRP 70 1HB TRP 70 1.751 -0.516 -1.055 455 2HB TRP 70 2HB TRP 70 1.460 -0.554 -2.783 456 HD1 TRP 70 HD TRP 70 1.937 -3.175 0.084 457 HE1 TRP 70 1HE TRP 70 0.438 -5.302 -0.354 458 HE3 TRP 70 3HE TRP 70 0.141 -1.631 -4.415 459 HZ2 TRP 70 2HZ TRP 70 -1.292 -6.082 -2.485 460 HZ3 TRP 70 3HZ TRP 70 -1.449 -3.135 -5.609 461 HH2 TRP 70 HH TRP 70 -2.168 -5.293 -4.714 462 H PHE 71 H PHE 71 4.558 -0.081 -4.255 463 HA PHE 71 HA PHE 71 5.394 2.231 -2.653 464 1HB PHE 71 1HB PHE 71 6.499 0.692 -5.055 465 2HB PHE 71 2HB PHE 71 7.013 2.346 -4.786 466 HD1 PHE 71 1HD PHE 71 6.349 0.820 -1.680 467 HD2 PHE 71 2HD PHE 71 9.266 1.012 -4.756 468 HE1 PHE 71 1HE PHE 71 8.099 0.014 -0.071 469 HE2 PHE 71 2HE PHE 71 11.016 0.207 -3.147 470 HZ PHE 71 HZ PHE 71 10.412 -0.283 -0.823 471 H MET 72 H MET 72 6.085 3.988 -4.706 472 HA MET 72 HA MET 72 3.469 4.411 -5.928 473 1HB MET 72 1HB MET 72 4.684 6.055 -4.159 474 2HB MET 72 2HB MET 72 5.542 6.603 -5.586 475 1HG MET 72 1HG MET 72 3.172 6.832 -6.684 476 2HG MET 72 2HG MET 72 2.547 6.700 -5.052 477 1HE MET 72 1HE MET 72 5.470 9.777 -6.667 478 2HE MET 72 2HE MET 72 5.019 8.185 -7.324 479 3HE MET 72 3HE MET 72 3.945 9.585 -7.565 480 H THR 73 H THR 73 3.650 3.535 -7.985 481 HA THR 73 HA THR 73 4.369 3.238 -10.069 482 HB THR 73 HB THR 73 4.247 5.958 -9.597 483 HG1 THR 73 1HG THR 73 3.543 5.103 -11.571 484 1HG2 THR 73 1HG2 THR 73 6.197 7.057 -10.268 485 2HG2 THR 73 2HG2 THR 73 6.942 5.664 -9.447 486 3HG2 THR 73 3HG2 THR 73 6.771 5.666 -11.219 487 H THR 74 H THR 74 6.189 2.692 -11.466 488 HA THR 74 HA THR 74 8.075 1.516 -11.701 489 HB THR 74 HB THR 74 8.790 3.968 -11.748 490 HG1 THR 74 1HG THR 74 10.525 1.901 -10.591 491 1HG2 THR 74 1HG2 THR 74 9.300 3.290 -8.836 492 2HG2 THR 74 2HG2 THR 74 10.444 4.355 -9.689 493 3HG2 THR 74 3HG2 THR 74 8.733 4.821 -9.544 Start of MODEL 15 1 H ARG 13 H ARG 13 -10.422 9.459 -2.260 2 HA ARG 13 HA ARG 13 -11.435 10.000 -0.339 3 1HB ARG 13 1HB ARG 13 -14.048 9.724 -0.816 4 2HB ARG 13 2HB ARG 13 -13.077 10.794 -1.806 5 1HG ARG 13 1HG ARG 13 -14.150 9.561 -3.469 6 2HG ARG 13 2HG ARG 13 -12.686 8.616 -3.283 7 1HD ARG 13 1HD ARG 13 -13.777 6.876 -2.143 8 2HD ARG 13 2HD ARG 13 -15.028 7.927 -1.509 9 HE ARG 13 HE ARG 13 -14.995 6.635 -4.156 10 1HH1 ARG 13 2HH2 ARG 13 -16.442 9.127 -2.136 11 2HH1 ARG 13 1HH2 ARG 13 -17.888 9.235 -3.083 12 1HH2 ARG 13 2HH1 ARG 13 -16.903 6.776 -5.406 13 2HH2 ARG 13 1HH1 ARG 13 -18.152 7.889 -4.956 14 H SER 14 H SER 14 -10.547 8.253 1.083 15 HA SER 14 HA SER 14 -12.378 7.101 2.654 16 1HB SER 14 1HB SER 14 -13.259 5.596 1.073 17 2HB SER 14 2HB SER 14 -11.705 5.318 0.312 18 HG SER 14 HG SER 14 -12.509 3.520 1.670 19 H ASN 15 H ASN 15 -9.988 4.781 1.434 20 HA ASN 15 HA ASN 15 -8.289 5.538 3.678 21 1HB ASN 15 1HB ASN 15 -7.479 2.988 3.092 22 2HB ASN 15 2HB ASN 15 -8.753 3.341 4.244 23 1HD2 ASN 15 1HD2 ASN 15 -9.606 1.274 3.791 24 2HD2 ASN 15 2HD2 ASN 15 -10.581 0.973 2.391 25 H ALA 16 H ALA 16 -8.554 4.576 0.232 26 HA ALA 16 HA ALA 16 -5.901 4.221 -0.405 27 1HB ALA 16 1HB ALA 16 -6.782 5.188 -2.697 28 2HB ALA 16 2HB ALA 16 -7.422 3.648 -2.073 29 3HB ALA 16 3HB ALA 16 -8.361 5.147 -1.877 30 H GLU 17 H GLU 17 -7.812 7.226 0.044 31 HA GLU 17 HA GLU 17 -5.918 8.943 -1.022 32 1HB GLU 17 1HB GLU 17 -7.150 10.711 0.193 33 2HB GLU 17 2HB GLU 17 -8.254 9.602 -0.596 34 1HG GLU 17 1HG GLU 17 -8.509 8.353 1.583 35 2HG GLU 17 2HG GLU 17 -7.467 9.531 2.356 36 H ILE 18 H ILE 18 -6.459 7.728 2.340 37 HA ILE 18 HA ILE 18 -4.296 9.261 3.390 38 HB ILE 18 HB ILE 18 -6.044 7.057 4.462 39 1HG1 ILE 18 1HG1 ILE 18 -5.966 9.694 5.769 40 2HG1 ILE 18 2HG1 ILE 18 -6.520 9.747 4.108 41 1HG2 ILE 18 1HG2 ILE 18 -4.440 6.574 5.934 42 2HG2 ILE 18 2HG2 ILE 18 -3.462 7.987 5.470 43 3HG2 ILE 18 3HG2 ILE 18 -4.780 8.167 6.652 44 1HD1 ILE 18 1HD1 ILE 18 -8.508 8.810 4.661 45 2HD1 ILE 18 2HD1 ILE 18 -7.702 7.463 5.500 46 3HD1 ILE 18 3HD1 ILE 18 -8.030 8.982 6.367 47 H VAL 19 H VAL 19 -4.795 5.925 2.169 48 HA VAL 19 HA VAL 19 -2.325 4.922 3.034 49 HB VAL 19 HB VAL 19 -4.223 4.162 0.814 50 1HG1 VAL 19 1HG1 VAL 19 -2.170 3.278 0.058 51 2HG1 VAL 19 2HG1 VAL 19 -1.654 2.837 1.703 52 3HG1 VAL 19 3HG1 VAL 19 -2.963 1.930 0.908 53 1HG2 VAL 19 1HG2 VAL 19 -4.941 3.975 3.241 54 2HG2 VAL 19 2HG2 VAL 19 -5.009 2.470 2.293 55 3HG2 VAL 19 3HG2 VAL 19 -3.670 2.743 3.433 56 H CYS 20 H CYS 20 -3.316 6.971 0.317 57 HA CYS 20 HA CYS 20 -0.879 6.536 -1.113 58 1HB CYS 20 1HB CYS 20 -3.358 8.143 -1.514 59 2HB CYS 20 2HB CYS 20 -1.901 8.740 -2.285 60 HG CYS 20 HG CYS 20 -1.279 6.139 -3.103 61 H GLU 21 H GLU 21 -2.330 8.931 1.146 62 HA GLU 21 HA GLU 21 -0.312 10.833 0.857 63 1HB GLU 21 1HB GLU 21 -2.728 10.501 2.367 64 2HB GLU 21 2HB GLU 21 -1.466 10.926 3.506 65 1HG GLU 21 1HG GLU 21 -1.165 13.036 2.610 66 2HG GLU 21 2HG GLU 21 -1.461 12.502 0.968 67 H ALA 22 H ALA 22 -0.691 7.917 2.886 68 HA ALA 22 HA ALA 22 1.528 8.545 4.569 69 1HB ALA 22 1HB ALA 22 -0.492 7.094 5.132 70 2HB ALA 22 2HB ALA 22 0.224 5.843 4.087 71 3HB ALA 22 3HB ALA 22 1.095 6.397 5.537 72 H ILE 23 H ILE 23 0.968 5.989 2.036 73 HA ILE 23 HA ILE 23 3.507 5.044 1.880 74 HB ILE 23 HB ILE 23 1.528 4.130 0.750 75 1HG1 ILE 23 1HG1 ILE 23 3.886 4.637 -1.089 76 2HG1 ILE 23 2HG1 ILE 23 3.809 3.401 0.150 77 1HG2 ILE 23 1HG2 ILE 23 0.541 5.038 -1.143 78 2HG2 ILE 23 2HG2 ILE 23 0.847 6.470 -0.131 79 3HG2 ILE 23 3HG2 ILE 23 1.931 6.093 -1.492 80 1HD1 ILE 23 1HD1 ILE 23 1.908 3.626 -2.230 81 2HD1 ILE 23 2HD1 ILE 23 3.249 2.466 -2.076 82 3HD1 ILE 23 3HD1 ILE 23 1.852 2.362 -0.978 83 H LYS 24 H LYS 24 2.172 8.070 0.503 84 HA LYS 24 HA LYS 24 4.449 8.650 -1.061 85 1HB LYS 24 1HB LYS 24 2.014 10.133 -0.141 86 2HB LYS 24 2HB LYS 24 3.357 11.052 -0.790 87 1HG LYS 24 1HG LYS 24 3.122 8.927 -2.602 88 2HG LYS 24 2HG LYS 24 1.455 9.267 -2.184 89 1HD LYS 24 1HD LYS 24 3.085 11.704 -2.675 90 2HD LYS 24 2HD LYS 24 2.943 10.657 -4.073 91 1HE LYS 24 1HE LYS 24 0.463 11.332 -2.465 92 2HE LYS 24 2HE LYS 24 1.094 12.504 -3.605 93 1HZ LYS 24 1HZ LYS 24 -0.333 10.151 -4.128 94 2HZ LYS 24 2HZ LYS 24 0.072 11.352 -5.158 95 3HZ LYS 24 3HZ LYS 24 1.097 10.104 -4.916 96 H THR 25 H THR 25 3.335 9.731 2.216 97 HA THR 25 HA THR 25 5.488 11.396 2.757 98 HB THR 25 HB THR 25 3.499 9.779 4.392 99 HG1 THR 25 1HG THR 25 2.620 11.850 4.418 100 1HG2 THR 25 1HG2 THR 25 4.329 10.653 6.439 101 2HG2 THR 25 2HG2 THR 25 5.823 10.146 5.615 102 3HG2 THR 25 3HG2 THR 25 5.344 11.861 5.616 103 H ILE 26 H ILE 26 5.318 7.890 2.599 104 HA ILE 26 HA ILE 26 7.567 7.407 4.241 105 HB ILE 26 HB ILE 26 6.247 5.761 2.082 106 1HG1 ILE 26 1HG1 ILE 26 4.976 6.510 4.233 107 2HG1 ILE 26 2HG1 ILE 26 4.882 4.846 3.692 108 1HG2 ILE 26 1HG2 ILE 26 7.387 3.855 3.377 109 2HG2 ILE 26 2HG2 ILE 26 8.379 4.825 2.261 110 3HG2 ILE 26 3HG2 ILE 26 8.468 5.117 4.014 111 1HD1 ILE 26 1HD1 ILE 26 5.314 4.889 6.104 112 2HD1 ILE 26 2HD1 ILE 26 6.750 4.251 5.269 113 3HD1 ILE 26 3HD1 ILE 26 6.738 5.929 5.861 114 H GLY 27 H GLY 27 7.775 6.131 0.967 115 1HA GLY 27 1HA GLY 27 9.082 7.593 -0.665 116 2HA GLY 27 2HA GLY 27 10.278 7.650 0.615 117 H ILE 28 H ILE 28 10.898 5.370 1.567 118 HA ILE 28 HA ILE 28 11.094 3.514 -0.704 119 HB ILE 28 HB ILE 28 13.283 3.118 -0.270 120 1HG1 ILE 28 1HG1 ILE 28 14.227 3.930 2.107 121 2HG1 ILE 28 2HG1 ILE 28 12.564 3.641 2.577 122 1HG2 ILE 28 1HG2 ILE 28 13.163 5.903 0.896 123 2HG2 ILE 28 2HG2 ILE 28 14.442 5.168 -0.101 124 3HG2 ILE 28 3HG2 ILE 28 12.862 5.558 -0.824 125 1HD1 ILE 28 1HD1 ILE 28 14.238 1.651 2.730 126 2HD1 ILE 28 2HD1 ILE 28 12.653 1.342 1.982 127 3HD1 ILE 28 3HD1 ILE 28 14.090 1.574 0.958 128 H GLU 29 H GLU 29 10.427 4.041 2.746 129 HA GLU 29 HA GLU 29 10.398 1.361 3.478 130 1HB GLU 29 1HB GLU 29 10.106 3.790 4.772 131 2HB GLU 29 2HB GLU 29 8.482 3.141 4.884 132 1HG GLU 29 1HG GLU 29 9.103 1.549 6.395 133 2HG GLU 29 2HG GLU 29 10.508 1.084 5.456 134 H GLY 30 H GLY 30 8.407 3.065 1.309 135 1HA GLY 30 1HA GLY 30 6.286 2.771 0.540 136 2HA GLY 30 2HA GLY 30 6.821 1.104 0.460 137 H ALA 31 H ALA 31 4.589 0.416 0.829 138 HA ALA 31 HA ALA 31 3.905 0.557 3.679 139 1HB ALA 31 1HB ALA 31 2.502 2.134 2.329 140 2HB ALA 31 2HB ALA 31 1.943 0.750 1.359 141 3HB ALA 31 3HB ALA 31 1.558 0.834 3.095 142 H THR 32 H THR 32 4.666 -1.508 4.168 143 HA THR 32 HA THR 32 4.027 -3.710 2.420 144 HB THR 32 HB THR 32 6.130 -3.188 4.027 145 HG1 THR 32 1HG THR 32 4.775 -5.780 3.783 146 1HG2 THR 32 1HG2 THR 32 4.853 -3.277 6.166 147 2HG2 THR 32 2HG2 THR 32 4.217 -4.879 5.722 148 3HG2 THR 32 3HG2 THR 32 5.955 -4.670 6.045 149 H ALA 33 H ALA 33 2.917 -5.684 3.207 150 HA ALA 33 HA ALA 33 0.335 -5.263 3.806 151 1HB ALA 33 1HB ALA 33 0.789 -7.438 3.192 152 2HB ALA 33 2HB ALA 33 2.247 -7.536 4.209 153 3HB ALA 33 3HB ALA 33 0.634 -7.667 4.951 154 H ALA 34 H ALA 34 2.689 -6.417 6.330 155 HA ALA 34 HA ALA 34 1.210 -6.154 8.527 156 1HB ALA 34 1HB ALA 34 3.573 -6.891 8.438 157 2HB ALA 34 2HB ALA 34 4.086 -5.203 8.206 158 3HB ALA 34 3HB ALA 34 3.309 -5.695 9.729 159 H GLN 35 H GLN 35 3.212 -3.411 7.213 160 HA GLN 35 HA GLN 35 2.224 -1.528 8.928 161 1HB GLN 35 1HB GLN 35 3.752 -1.584 6.425 162 2HB GLN 35 2HB GLN 35 2.735 -0.160 6.514 163 1HG GLN 35 1HG GLN 35 3.653 0.206 8.893 164 2HG GLN 35 2HG GLN 35 4.815 -1.062 8.555 165 1HE2 GLN 35 1HE2 GLN 35 3.463 1.873 7.054 166 2HE2 GLN 35 2HE2 GLN 35 4.951 2.509 6.435 167 H LEU 36 H LEU 36 0.945 -2.693 5.774 168 HA LEU 36 HA LEU 36 -1.117 -0.727 5.687 169 1HB LEU 36 1HB LEU 36 -0.073 -2.868 4.025 170 2HB LEU 36 2HB LEU 36 -1.826 -2.856 4.034 171 HG LEU 36 HG LEU 36 -0.395 -0.264 3.585 172 1HD1 LEU 36 1HD1 LEU 36 0.163 -2.554 2.012 173 2HD1 LEU 36 2HD1 LEU 36 -0.898 -1.499 1.049 174 3HD1 LEU 36 3HD1 LEU 36 0.626 -0.861 1.711 175 1HD2 LEU 36 1HD2 LEU 36 -2.326 0.313 2.330 176 2HD2 LEU 36 2HD2 LEU 36 -2.886 -1.376 2.278 177 3HD2 LEU 36 3HD2 LEU 36 -2.897 -0.481 3.817 178 H THR 37 H THR 37 -0.564 -3.284 7.762 179 HA THR 37 HA THR 37 -3.452 -3.792 8.059 180 HB THR 37 HB THR 37 -1.004 -5.506 8.736 181 HG1 THR 37 1HG THR 37 -1.523 -6.290 6.729 182 1HG2 THR 37 1HG2 THR 37 -3.207 -5.701 10.216 183 2HG2 THR 37 2HG2 THR 37 -3.894 -6.435 8.747 184 3HG2 THR 37 3HG2 THR 37 -2.481 -7.177 9.535 185 H ARG 38 H ARG 38 -0.722 -2.185 9.354 186 HA ARG 38 HA ARG 38 -1.871 -2.319 12.011 187 1HB ARG 38 1HB ARG 38 0.849 -1.929 10.913 188 2HB ARG 38 2HB ARG 38 0.463 -0.755 12.156 189 1HG ARG 38 1HG ARG 38 -0.374 -3.521 12.840 190 2HG ARG 38 2HG ARG 38 1.356 -3.349 12.619 191 1HD ARG 38 1HD ARG 38 1.194 -1.276 14.180 192 2HD ARG 38 2HD ARG 38 -0.426 -1.823 14.565 193 HE ARG 38 HE ARG 38 2.079 -3.049 15.439 194 1HH1 ARG 38 2HH2 ARG 38 -1.333 -3.643 14.818 195 2HH1 ARG 38 1HH2 ARG 38 -1.422 -5.003 15.885 196 1HH2 ARG 38 2HH1 ARG 38 1.963 -4.845 16.847 197 2HH2 ARG 38 1HH1 ARG 38 0.465 -5.692 17.048 198 H GLN 39 H GLN 39 -1.082 -0.150 9.279 199 HA GLN 39 HA GLN 39 -1.431 2.260 10.559 200 1HB GLN 39 1HB GLN 39 -1.033 1.319 7.896 201 2HB GLN 39 2HB GLN 39 -2.431 2.373 7.833 202 1HG GLN 39 1HG GLN 39 -0.960 4.107 7.785 203 2HG GLN 39 2HG GLN 39 -0.689 3.794 9.488 204 1HE2 GLN 39 1HE2 GLN 39 0.655 1.459 9.534 205 2HE2 GLN 39 2HE2 GLN 39 2.198 1.591 8.759 206 H LEU 40 H LEU 40 -3.763 -0.157 9.439 207 HA LEU 40 HA LEU 40 -5.950 1.724 9.929 208 1HB LEU 40 1HB LEU 40 -7.171 -0.471 8.992 209 2HB LEU 40 2HB LEU 40 -6.577 0.836 7.987 210 HG LEU 40 HG LEU 40 -4.891 -1.593 8.606 211 1HD1 LEU 40 1HD1 LEU 40 -6.497 -1.329 6.075 212 2HD1 LEU 40 2HD1 LEU 40 -5.715 -2.766 6.776 213 3HD1 LEU 40 3HD1 LEU 40 -7.185 -2.098 7.525 214 1HD2 LEU 40 1HD2 LEU 40 -4.432 0.855 7.218 215 2HD2 LEU 40 2HD2 LEU 40 -3.335 -0.528 7.443 216 3HD2 LEU 40 3HD2 LEU 40 -4.418 -0.472 6.032 217 H ASN 41 H ASN 41 -6.518 -1.717 10.231 218 HA ASN 41 HA ASN 41 -6.059 -1.765 13.029 219 1HB ASN 41 1HB ASN 41 -8.653 -0.903 12.049 220 2HB ASN 41 2HB ASN 41 -8.849 -2.482 12.783 221 1HD2 ASN 41 1HD2 ASN 41 -6.811 0.375 13.419 222 2HD2 ASN 41 2HD2 ASN 41 -7.214 0.563 15.094 223 H MET 42 H MET 42 -5.467 -3.200 10.410 224 HA MET 42 HA MET 42 -5.110 -5.267 9.805 225 1HB MET 42 1HB MET 42 -6.743 -6.237 12.209 226 2HB MET 42 2HB MET 42 -5.511 -7.136 11.346 227 1HG MET 42 1HG MET 42 -3.736 -5.787 12.230 228 2HG MET 42 2HG MET 42 -4.830 -4.509 12.720 229 1HE MET 42 1HE MET 42 -4.017 -8.065 12.839 230 2HE MET 42 2HE MET 42 -3.154 -7.967 14.393 231 3HE MET 42 3HE MET 42 -4.762 -8.727 14.315 232 H GLU 43 H GLU 43 -7.165 -3.891 8.591 233 HA GLU 43 HA GLU 43 -9.401 -5.734 8.549 234 1HB GLU 43 1HB GLU 43 -8.998 -2.854 7.843 235 2HB GLU 43 2HB GLU 43 -10.155 -3.731 6.862 236 1HG GLU 43 1HG GLU 43 -10.764 -4.548 9.486 237 2HG GLU 43 2HG GLU 43 -10.373 -2.849 9.666 238 H LYS 44 H LYS 44 -7.562 -7.213 7.515 239 HA LYS 44 HA LYS 44 -6.480 -6.859 5.082 240 1HB LYS 44 1HB LYS 44 -6.168 -8.830 6.533 241 2HB LYS 44 2HB LYS 44 -7.772 -9.400 6.119 242 1HG LYS 44 1HG LYS 44 -6.752 -9.006 3.603 243 2HG LYS 44 2HG LYS 44 -5.276 -9.386 4.468 244 1HD LYS 44 1HD LYS 44 -7.675 -11.145 4.958 245 2HD LYS 44 2HD LYS 44 -6.846 -11.310 3.423 246 1HE LYS 44 1HE LYS 44 -5.017 -11.197 5.766 247 2HE LYS 44 2HE LYS 44 -6.100 -12.574 5.782 248 1HZ LYS 44 1HZ LYS 44 -3.836 -12.276 4.277 249 2HZ LYS 44 2HZ LYS 44 -4.920 -13.494 4.187 250 3HZ LYS 44 3HZ LYS 44 -5.066 -12.198 3.205 251 H ARG 45 H ARG 45 -9.908 -7.208 5.863 252 HA ARG 45 HA ARG 45 -10.757 -7.957 3.333 253 1HB ARG 45 1HB ARG 45 -12.087 -6.528 5.669 254 2HB ARG 45 2HB ARG 45 -12.970 -6.800 4.180 255 1HG ARG 45 1HG ARG 45 -12.631 -9.230 4.354 256 2HG ARG 45 2HG ARG 45 -11.579 -9.026 5.740 257 1HD ARG 45 1HD ARG 45 -14.506 -8.145 5.697 258 2HD ARG 45 2HD ARG 45 -13.968 -9.693 6.318 259 HE ARG 45 HE ARG 45 -13.689 -7.106 7.632 260 1HH1 ARG 45 2HH2 ARG 45 -12.280 -10.319 7.362 261 2HH1 ARG 45 1HH2 ARG 45 -11.542 -10.266 8.928 262 1HH2 ARG 45 2HH1 ARG 45 -12.715 -7.036 9.698 263 2HH2 ARG 45 1HH1 ARG 45 -11.791 -8.386 10.265 264 H GLU 46 H GLU 46 -10.445 -4.723 4.952 265 HA GLU 46 HA GLU 46 -11.275 -3.384 2.582 266 1HB GLU 46 1HB GLU 46 -11.269 -1.440 3.877 267 2HB GLU 46 2HB GLU 46 -11.549 -2.665 5.098 268 1HG GLU 46 1HG GLU 46 -9.057 -2.723 5.548 269 2HG GLU 46 2HG GLU 46 -8.851 -1.412 4.404 270 H VAL 47 H VAL 47 -8.212 -4.209 4.238 271 HA VAL 47 HA VAL 47 -6.591 -2.518 2.652 272 HB VAL 47 HB VAL 47 -6.307 -3.972 4.944 273 1HG1 VAL 47 1HG1 VAL 47 -5.971 -5.996 3.343 274 2HG1 VAL 47 2HG1 VAL 47 -4.362 -5.290 3.056 275 3HG1 VAL 47 3HG1 VAL 47 -4.844 -5.771 4.701 276 1HG2 VAL 47 1HG2 VAL 47 -4.902 -2.194 4.892 277 2HG2 VAL 47 2HG2 VAL 47 -3.714 -3.420 4.386 278 3HG2 VAL 47 3HG2 VAL 47 -4.520 -2.405 3.166 279 H ASN 48 H ASN 48 -8.144 -5.631 2.175 280 HA ASN 48 HA ASN 48 -6.338 -6.433 0.134 281 1HB ASN 48 1HB ASN 48 -7.454 -8.214 1.314 282 2HB ASN 48 2HB ASN 48 -9.023 -7.448 1.158 283 1HD2 ASN 48 1HD2 ASN 48 -6.424 -9.077 -0.560 284 2HD2 ASN 48 2HD2 ASN 48 -7.349 -9.648 -1.909 285 H LYS 49 H LYS 49 -9.839 -5.420 0.327 286 HA LYS 49 HA LYS 49 -10.302 -5.329 -2.403 287 1HB LYS 49 1HB LYS 49 -11.752 -4.906 -0.074 288 2HB LYS 49 2HB LYS 49 -11.778 -3.333 -0.846 289 1HG LYS 49 1HG LYS 49 -12.913 -4.117 -2.741 290 2HG LYS 49 2HG LYS 49 -12.285 -5.745 -2.582 291 1HD LYS 49 1HD LYS 49 -14.036 -6.411 -1.283 292 2HD LYS 49 2HD LYS 49 -13.916 -4.999 -0.252 293 1HE LYS 49 1HE LYS 49 -15.107 -3.641 -2.011 294 2HE LYS 49 2HE LYS 49 -15.269 -5.084 -2.992 295 1HZ LYS 49 1HZ LYS 49 -16.791 -5.950 -1.587 296 2HZ LYS 49 2HZ LYS 49 -16.200 -5.216 -0.253 297 3HZ LYS 49 3HZ LYS 49 -17.104 -4.370 -1.318 298 H ALA 50 H ALA 50 -8.677 -3.057 -0.205 299 HA ALA 50 HA ALA 50 -8.738 -0.889 -2.059 300 1HB ALA 50 1HB ALA 50 -7.057 0.063 -0.421 301 2HB ALA 50 2HB ALA 50 -8.607 -0.428 0.303 302 3HB ALA 50 3HB ALA 50 -7.173 -1.466 0.484 303 H LEU 51 H LEU 51 -6.054 -3.002 -0.796 304 HA LEU 51 HA LEU 51 -4.071 -2.197 -2.432 305 1HB LEU 51 1HB LEU 51 -4.778 -4.720 -1.063 306 2HB LEU 51 2HB LEU 51 -3.587 -4.859 -2.340 307 HG LEU 51 HG LEU 51 -2.108 -3.305 -1.244 308 1HD1 LEU 51 1HD1 LEU 51 -2.711 -1.765 0.251 309 2HD1 LEU 51 2HD1 LEU 51 -4.391 -2.201 -0.144 310 3HD1 LEU 51 3HD1 LEU 51 -3.582 -2.951 1.253 311 1HD2 LEU 51 1HD2 LEU 51 -2.986 -5.006 1.056 312 2HD2 LEU 51 2HD2 LEU 51 -2.448 -5.792 -0.447 313 3HD2 LEU 51 3HD2 LEU 51 -1.354 -4.688 0.421 314 H TYR 52 H TYR 52 -6.857 -4.291 -3.255 315 HA TYR 52 HA TYR 52 -5.868 -5.047 -5.794 316 1HB TYR 52 1HB TYR 52 -7.637 -6.369 -4.866 317 2HB TYR 52 2HB TYR 52 -8.454 -4.969 -4.200 318 HD1 TYR 52 1HD TYR 52 -10.123 -3.774 -5.459 319 HD2 TYR 52 2HD TYR 52 -7.890 -6.933 -7.286 320 HE1 TYR 52 1HE TYR 52 -11.741 -3.793 -7.420 321 HE2 TYR 52 2HE TYR 52 -9.516 -6.942 -9.241 322 HH TYR 52 HH TYR 52 -11.792 -4.438 -9.703 323 H ASP 53 H ASP 53 -8.558 -2.761 -4.897 324 HA ASP 53 HA ASP 53 -9.072 -1.781 -7.318 325 1HB ASP 53 1HB ASP 53 -9.825 -1.130 -4.791 326 2HB ASP 53 2HB ASP 53 -8.792 0.247 -5.114 327 H LEU 54 H LEU 54 -6.515 -0.654 -4.993 328 HA LEU 54 HA LEU 54 -5.542 1.434 -6.555 329 1HB LEU 54 1HB LEU 54 -4.384 -0.258 -4.357 330 2HB LEU 54 2HB LEU 54 -3.422 0.970 -5.156 331 HG LEU 54 HG LEU 54 -6.067 1.532 -3.791 332 1HD1 LEU 54 1HD1 LEU 54 -3.683 0.808 -2.539 333 2HD1 LEU 54 2HD1 LEU 54 -3.726 2.584 -2.438 334 3HD1 LEU 54 3HD1 LEU 54 -5.082 1.624 -1.801 335 1HD2 LEU 54 1HD2 LEU 54 -5.351 3.120 -5.576 336 2HD2 LEU 54 2HD2 LEU 54 -5.478 3.851 -3.958 337 3HD2 LEU 54 3HD2 LEU 54 -3.879 3.450 -4.631 338 H GLN 55 H GLN 55 -4.563 -2.045 -6.340 339 HA GLN 55 HA GLN 55 -2.433 -1.919 -8.026 340 1HB GLN 55 1HB GLN 55 -4.036 -3.939 -6.806 341 2HB GLN 55 2HB GLN 55 -3.934 -4.362 -8.503 342 1HG GLN 55 1HG GLN 55 -1.347 -3.453 -7.375 343 2HG GLN 55 2HG GLN 55 -1.978 -4.882 -6.581 344 1HE2 GLN 55 1HE2 GLN 55 -2.982 -6.516 -8.179 345 2HE2 GLN 55 2HE2 GLN 55 -2.022 -6.921 -9.563 346 H ARG 56 H ARG 56 -5.892 -2.652 -8.883 347 HA ARG 56 HA ARG 56 -5.361 -2.762 -11.611 348 1HB ARG 56 1HB ARG 56 -7.880 -2.409 -9.946 349 2HB ARG 56 2HB ARG 56 -7.971 -2.322 -11.694 350 1HG ARG 56 1HG ARG 56 -8.412 -4.632 -10.805 351 2HG ARG 56 2HG ARG 56 -7.070 -4.579 -11.931 352 1HD ARG 56 1HD ARG 56 -5.444 -4.589 -10.078 353 2HD ARG 56 2HD ARG 56 -6.731 -4.460 -8.896 354 HE ARG 56 HE ARG 56 -7.126 -6.766 -10.613 355 1HH1 ARG 56 2HH2 ARG 56 -5.282 -5.614 -7.846 356 2HH1 ARG 56 1HH2 ARG 56 -5.028 -7.198 -7.194 357 1HH2 ARG 56 2HH1 ARG 56 -6.792 -8.856 -9.752 358 2HH2 ARG 56 1HH1 ARG 56 -5.893 -9.055 -8.285 359 H SER 57 H SER 57 -5.640 -0.129 -9.367 360 HA SER 57 HA SER 57 -6.551 1.740 -11.335 361 1HB SER 57 1HB SER 57 -5.688 1.969 -8.431 362 2HB SER 57 2HB SER 57 -6.010 3.394 -9.399 363 HG SER 57 HG SER 57 -7.820 1.338 -8.548 364 H ALA 58 H ALA 58 -3.520 0.622 -9.825 365 HA ALA 58 HA ALA 58 -1.424 0.850 -10.573 366 1HB ALA 58 1HB ALA 58 -1.001 1.612 -12.688 367 2HB ALA 58 2HB ALA 58 -2.774 1.528 -12.824 368 3HB ALA 58 3HB ALA 58 -1.981 3.082 -12.471 369 H MET 59 H MET 59 -3.343 2.856 -8.875 370 HA MET 59 HA MET 59 -1.957 5.250 -8.795 371 1HB MET 59 1HB MET 59 -4.220 4.938 -7.834 372 2HB MET 59 2HB MET 59 -3.615 3.756 -6.691 373 1HG MET 59 1HG MET 59 -3.951 6.047 -5.679 374 2HG MET 59 2HG MET 59 -2.315 5.444 -5.503 375 1HE MET 59 1HE MET 59 -0.543 8.514 -6.431 376 2HE MET 59 2HE MET 59 -1.585 8.096 -5.049 377 3HE MET 59 3HE MET 59 -0.497 6.871 -5.746 378 H VAL 60 H VAL 60 -1.309 2.084 -7.344 379 HA VAL 60 HA VAL 60 1.051 3.267 -6.054 380 HB VAL 60 HB VAL 60 0.791 1.887 -4.182 381 1HG1 VAL 60 1HG1 VAL 60 -1.387 2.493 -3.268 382 2HG1 VAL 60 2HG1 VAL 60 -0.724 3.842 -4.222 383 3HG1 VAL 60 3HG1 VAL 60 -2.009 2.816 -4.904 384 1HG2 VAL 60 1HG2 VAL 60 0.141 -0.163 -5.469 385 2HG2 VAL 60 2HG2 VAL 60 -0.769 0.067 -3.957 386 3HG2 VAL 60 3HG2 VAL 60 -1.527 0.456 -5.519 387 H TYR 61 H TYR 61 2.829 1.579 -5.736 388 HA TYR 61 HA TYR 61 2.742 -0.354 -7.953 389 1HB TYR 61 1HB TYR 61 4.596 1.865 -7.122 390 2HB TYR 61 2HB TYR 61 5.421 0.365 -7.498 391 HD1 TYR 61 1HD TYR 61 6.530 0.919 -9.508 392 HD2 TYR 61 2HD TYR 61 2.338 1.687 -9.134 393 HE1 TYR 61 1HE TYR 61 6.404 1.475 -11.986 394 HE2 TYR 61 2HE TYR 61 2.226 2.241 -11.613 395 HH TYR 61 HH TYR 61 4.998 2.785 -13.465 396 H SER 62 H SER 62 5.235 -1.562 -7.479 397 HA SER 62 HA SER 62 4.948 -2.506 -4.739 398 1HB SER 62 1HB SER 62 3.952 -4.047 -6.597 399 2HB SER 62 2HB SER 62 5.616 -4.371 -7.041 400 HG SER 62 HG SER 62 5.991 -5.408 -5.120 401 H SER 63 H SER 63 7.030 -4.013 -4.245 402 HA SER 63 HA SER 63 9.254 -2.323 -4.926 403 1HB SER 63 1HB SER 63 9.187 -2.813 -2.615 404 2HB SER 63 2HB SER 63 8.744 -4.489 -2.877 405 HG SER 63 HG SER 63 11.311 -3.238 -3.083 406 H ASP 64 H ASP 64 8.064 -5.684 -5.359 407 HA ASP 64 HA ASP 64 8.524 -7.086 -6.993 408 1HB ASP 64 1HB ASP 64 9.654 -4.872 -8.105 409 2HB ASP 64 2HB ASP 64 11.112 -5.801 -7.821 410 H ASP 65 H ASP 65 9.671 -6.867 -4.180 411 HA ASP 65 HA ASP 65 11.605 -8.957 -4.501 412 1HB ASP 65 1HB ASP 65 12.226 -6.362 -3.013 413 2HB ASP 65 2HB ASP 65 13.193 -7.817 -2.876 414 H ILE 66 H ILE 66 12.240 -9.738 -2.103 415 HA ILE 66 HA ILE 66 9.797 -9.526 -0.494 416 HB ILE 66 HB ILE 66 10.421 -11.744 -1.459 417 1HG1 ILE 66 1HG1 ILE 66 10.298 -11.478 1.559 418 2HG1 ILE 66 2HG1 ILE 66 8.935 -11.560 0.460 419 1HG2 ILE 66 1HG2 ILE 66 12.462 -12.588 -1.266 420 2HG2 ILE 66 2HG2 ILE 66 12.978 -11.081 -0.472 421 3HG2 ILE 66 3HG2 ILE 66 12.399 -12.450 0.507 422 1HD1 ILE 66 1HD1 ILE 66 9.089 -13.789 1.153 423 2HD1 ILE 66 2HD1 ILE 66 10.070 -13.830 -0.332 424 3HD1 ILE 66 3HD1 ILE 66 10.866 -13.740 1.257 425 HA PRO 67 HA PRO 67 9.153 -9.743 1.242 426 1HB PRO 67 1HB PRO 67 8.089 -8.010 3.067 427 2HB PRO 67 2HB PRO 67 8.757 -9.570 3.504 428 1HG PRO 67 1HG PRO 67 9.924 -6.880 3.885 429 2HG PRO 67 2HG PRO 67 10.354 -8.386 4.673 430 1HD PRO 67 1HD PRO 67 11.794 -7.080 2.563 431 2HD PRO 67 2HD PRO 67 12.159 -8.641 3.271 432 HA PRO 68 HA PRO 68 7.441 -6.952 -1.453 433 1HB PRO 68 1HB PRO 68 4.778 -7.556 -1.366 434 2HB PRO 68 2HB PRO 68 5.942 -8.487 -2.288 435 1HG PRO 68 1HG PRO 68 4.636 -9.169 0.275 436 2HG PRO 68 2HG PRO 68 5.451 -10.229 -0.858 437 1HD PRO 68 1HD PRO 68 6.485 -9.264 1.637 438 2HD PRO 68 2HD PRO 68 7.341 -10.228 0.451 439 H ARG 69 H ARG 69 6.554 -4.899 -1.740 440 HA ARG 69 HA ARG 69 5.081 -3.922 0.511 441 1HB ARG 69 1HB ARG 69 7.721 -2.626 -0.340 442 2HB ARG 69 2HB ARG 69 6.608 -1.952 0.834 443 1HG ARG 69 1HG ARG 69 6.871 -4.229 2.100 444 2HG ARG 69 2HG ARG 69 8.265 -4.491 1.071 445 1HD ARG 69 1HD ARG 69 9.453 -2.642 1.979 446 2HD ARG 69 2HD ARG 69 7.997 -1.873 2.580 447 HE ARG 69 HE ARG 69 8.022 -3.293 4.478 448 1HH1 ARG 69 2HH2 ARG 69 10.477 -4.273 2.155 449 2HH1 ARG 69 1HH2 ARG 69 11.280 -5.339 3.260 450 1HH2 ARG 69 2HH1 ARG 69 9.081 -4.698 5.936 451 2HH2 ARG 69 1HH1 ARG 69 10.480 -5.582 5.425 452 H TRP 70 H TRP 70 3.753 -2.110 -0.065 453 HA TRP 70 HA TRP 70 3.552 -1.689 -2.920 454 1HB TRP 70 1HB TRP 70 1.835 -0.623 -0.672 455 2HB TRP 70 2HB TRP 70 1.476 -0.556 -2.386 456 HD1 TRP 70 HD TRP 70 1.941 -3.277 0.373 457 HE1 TRP 70 1HE TRP 70 0.468 -5.401 -0.161 458 HE3 TRP 70 3HE TRP 70 0.261 -1.628 -4.134 459 HZ2 TRP 70 2HZ TRP 70 -1.197 -6.136 -2.359 460 HZ3 TRP 70 3HZ TRP 70 -1.285 -3.110 -5.410 461 HH2 TRP 70 HH TRP 70 -2.015 -5.294 -4.591 462 H PHE 71 H PHE 71 4.634 -0.044 -3.914 463 HA PHE 71 HA PHE 71 5.482 2.188 -2.210 464 1HB PHE 71 1HB PHE 71 6.535 0.738 -4.680 465 2HB PHE 71 2HB PHE 71 7.022 2.401 -4.423 466 HD1 PHE 71 1HD PHE 71 6.454 0.545 -1.400 467 HD2 PHE 71 2HD PHE 71 9.348 1.422 -4.377 468 HE1 PHE 71 1HE PHE 71 8.276 -0.228 0.144 469 HE2 PHE 71 2HE PHE 71 11.170 0.650 -2.832 470 HZ PHE 71 HZ PHE 71 10.612 -0.166 -0.591 471 H MET 72 H MET 72 6.127 4.070 -4.149 472 HA MET 72 HA MET 72 3.529 4.500 -5.412 473 1HB MET 72 1HB MET 72 4.103 6.026 -3.447 474 2HB MET 72 2HB MET 72 5.508 6.585 -4.333 475 1HG MET 72 1HG MET 72 2.964 6.731 -5.876 476 2HG MET 72 2HG MET 72 2.998 7.755 -4.455 477 1HE MET 72 1HE MET 72 6.479 9.437 -4.899 478 2HE MET 72 2HE MET 72 4.911 10.139 -4.433 479 3HE MET 72 3HE MET 72 5.407 8.559 -3.782 480 H THR 73 H THR 73 4.068 3.700 -7.482 481 HA THR 73 HA THR 73 5.267 3.494 -9.392 482 HB THR 73 HB THR 73 3.754 5.275 -9.957 483 HG1 THR 73 1HG THR 73 5.789 5.048 -11.260 484 1HG2 THR 73 1HG2 THR 73 4.382 7.688 -9.471 485 2HG2 THR 73 2HG2 THR 73 3.987 6.760 -8.004 486 3HG2 THR 73 3HG2 THR 73 5.687 7.087 -8.419 487 H THR 74 H THR 74 7.239 2.576 -8.779 488 HA THR 74 HA THR 74 9.434 4.539 -8.686 489 HB THR 74 HB THR 74 10.545 3.010 -7.068 490 HG1 THR 74 1HG THR 74 9.084 1.191 -6.355 491 1HG2 THR 74 1HG2 THR 74 9.097 3.288 -5.141 492 2HG2 THR 74 2HG2 THR 74 8.806 4.704 -6.180 493 3HG2 THR 74 3HG2 THR 74 7.644 3.355 -6.166 Start of MODEL 16 1 H ARG 13 H ARG 13 -9.588 8.982 -4.050 2 HA ARG 13 HA ARG 13 -10.153 10.250 -2.372 3 1HB ARG 13 1HB ARG 13 -12.689 10.042 -4.018 4 2HB ARG 13 2HB ARG 13 -12.726 10.982 -2.539 5 1HG ARG 13 1HG ARG 13 -10.475 11.439 -4.511 6 2HG ARG 13 2HG ARG 13 -12.052 12.123 -4.851 7 1HD ARG 13 1HD ARG 13 -11.283 12.602 -2.056 8 2HD ARG 13 2HD ARG 13 -10.065 13.216 -3.156 9 HE ARG 13 HE ARG 13 -12.672 13.968 -4.112 10 1HH1 ARG 13 2HH2 ARG 13 -10.366 14.730 -1.567 11 2HH1 ARG 13 1HH2 ARG 13 -10.921 16.359 -1.375 12 1HH2 ARG 13 2HH1 ARG 13 -13.406 16.117 -3.860 13 2HH2 ARG 13 1HH1 ARG 13 -12.663 17.154 -2.688 14 H SER 14 H SER 14 -9.815 8.697 -0.627 15 HA SER 14 HA SER 14 -11.940 8.449 1.081 16 1HB SER 14 1HB SER 14 -13.005 6.773 -0.193 17 2HB SER 14 2HB SER 14 -11.492 6.043 -0.692 18 HG SER 14 HG SER 14 -12.881 4.964 1.073 19 H ASN 15 H ASN 15 -9.759 5.666 0.434 20 HA ASN 15 HA ASN 15 -8.256 6.500 2.787 21 1HB ASN 15 1HB ASN 15 -7.578 3.867 2.491 22 2HB ASN 15 2HB ASN 15 -8.957 4.389 3.438 23 1HD2 ASN 15 1HD2 ASN 15 -9.889 2.346 3.020 24 2HD2 ASN 15 2HD2 ASN 15 -10.702 2.001 1.529 25 H ALA 16 H ALA 16 -8.173 5.211 -0.572 26 HA ALA 16 HA ALA 16 -5.529 4.630 -0.882 27 1HB ALA 16 1HB ALA 16 -7.399 6.016 -2.846 28 2HB ALA 16 2HB ALA 16 -5.914 5.131 -3.268 29 3HB ALA 16 3HB ALA 16 -7.299 4.262 -2.565 30 H GLU 17 H GLU 17 -7.157 7.851 -0.994 31 HA GLU 17 HA GLU 17 -4.914 9.262 -1.783 32 1HB GLU 17 1HB GLU 17 -6.142 11.250 -0.860 33 2HB GLU 17 2HB GLU 17 -7.128 10.251 -1.910 34 1HG GLU 17 1HG GLU 17 -8.645 10.195 -0.217 35 2HG GLU 17 2HG GLU 17 -7.555 9.086 0.591 36 H ILE 18 H ILE 18 -6.094 8.214 1.441 37 HA ILE 18 HA ILE 18 -4.135 9.731 2.852 38 HB ILE 18 HB ILE 18 -5.988 7.492 3.668 39 1HG1 ILE 18 1HG1 ILE 18 -6.136 10.503 3.976 40 2HG1 ILE 18 2HG1 ILE 18 -7.180 9.488 3.001 41 1HG2 ILE 18 1HG2 ILE 18 -4.230 7.358 5.219 42 2HG2 ILE 18 2HG2 ILE 18 -4.031 9.126 5.284 43 3HG2 ILE 18 3HG2 ILE 18 -5.467 8.364 6.011 44 1HD1 ILE 18 1HD1 ILE 18 -8.542 9.459 4.829 45 2HD1 ILE 18 2HD1 ILE 18 -7.388 8.275 5.489 46 3HD1 ILE 18 3HD1 ILE 18 -7.238 9.997 5.915 47 H VAL 19 H VAL 19 -4.451 6.386 1.591 48 HA VAL 19 HA VAL 19 -2.174 5.382 2.893 49 HB VAL 19 HB VAL 19 -3.265 4.454 0.243 50 1HG1 VAL 19 1HG1 VAL 19 -2.050 2.978 2.603 51 2HG1 VAL 19 2HG1 VAL 19 -2.647 2.231 1.102 52 3HG1 VAL 19 3HG1 VAL 19 -1.247 3.329 1.054 53 1HG2 VAL 19 1HG2 VAL 19 -5.282 4.126 1.135 54 2HG2 VAL 19 2HG2 VAL 19 -4.546 3.032 2.330 55 3HG2 VAL 19 3HG2 VAL 19 -4.731 4.762 2.703 56 H CYS 20 H CYS 20 -2.701 7.238 -0.111 57 HA CYS 20 HA CYS 20 -0.102 6.774 -1.120 58 1HB CYS 20 1HB CYS 20 -1.927 7.383 -2.611 59 2HB CYS 20 2HB CYS 20 -2.157 8.909 -1.780 60 HG CYS 20 HG CYS 20 0.847 8.091 -2.789 61 H GLU 21 H GLU 21 -1.735 9.327 0.848 62 HA GLU 21 HA GLU 21 0.369 11.109 0.877 63 1HB GLU 21 1HB GLU 21 -2.114 11.323 1.705 64 2HB GLU 21 2HB GLU 21 -1.498 10.733 3.236 65 1HG GLU 21 1HG GLU 21 -0.269 12.659 3.654 66 2HG GLU 21 2HG GLU 21 0.065 12.951 1.959 67 H ALA 22 H ALA 22 -0.306 8.181 2.816 68 HA ALA 22 HA ALA 22 1.781 8.721 4.698 69 1HB ALA 22 1HB ALA 22 -0.256 6.612 4.159 70 2HB ALA 22 2HB ALA 22 1.220 6.084 5.001 71 3HB ALA 22 3HB ALA 22 0.217 7.381 5.693 72 H ILE 23 H ILE 23 1.314 6.076 2.239 73 HA ILE 23 HA ILE 23 3.852 5.099 2.293 74 HB ILE 23 HB ILE 23 1.874 4.162 1.121 75 1HG1 ILE 23 1HG1 ILE 23 4.289 3.419 0.802 76 2HG1 ILE 23 2HG1 ILE 23 3.138 2.942 -0.431 77 1HG2 ILE 23 1HG2 ILE 23 1.875 6.607 -0.238 78 2HG2 ILE 23 2HG2 ILE 23 2.376 5.401 -1.447 79 3HG2 ILE 23 3HG2 ILE 23 0.848 5.189 -0.559 80 1HD1 ILE 23 1HD1 ILE 23 4.294 5.563 -1.047 81 2HD1 ILE 23 2HD1 ILE 23 5.555 4.324 -0.844 82 3HD1 ILE 23 3HD1 ILE 23 4.258 4.086 -2.039 83 H LYS 24 H LYS 24 2.650 8.104 0.825 84 HA LYS 24 HA LYS 24 4.954 8.548 -0.765 85 1HB LYS 24 1HB LYS 24 2.841 9.557 -1.350 86 2HB LYS 24 2HB LYS 24 2.733 10.371 0.197 87 1HG LYS 24 1HG LYS 24 4.611 11.808 -0.312 88 2HG LYS 24 2HG LYS 24 5.075 10.837 -1.694 89 1HD LYS 24 1HD LYS 24 3.585 11.881 -3.075 90 2HD LYS 24 2HD LYS 24 2.289 11.780 -1.901 91 1HE LYS 24 1HE LYS 24 2.549 14.062 -1.798 92 2HE LYS 24 2HE LYS 24 3.841 13.670 -0.681 93 1HZ LYS 24 1HZ LYS 24 5.226 14.585 -2.101 94 2HZ LYS 24 2HZ LYS 24 4.870 13.463 -3.233 95 3HZ LYS 24 3HZ LYS 24 4.036 14.867 -3.183 96 H THR 25 H THR 25 3.821 9.825 2.438 97 HA THR 25 HA THR 25 6.025 11.424 2.950 98 HB THR 25 HB THR 25 4.019 9.907 4.679 99 HG1 THR 25 1HG THR 25 3.287 12.163 4.813 100 1HG2 THR 25 1HG2 THR 25 4.933 10.743 6.630 101 2HG2 THR 25 2HG2 THR 25 6.454 10.727 5.706 102 3HG2 THR 25 3HG2 THR 25 5.504 12.227 5.831 103 H ILE 26 H ILE 26 5.691 7.908 3.043 104 HA ILE 26 HA ILE 26 7.850 7.377 4.733 105 HB ILE 26 HB ILE 26 6.607 5.787 2.489 106 1HG1 ILE 26 1HG1 ILE 26 5.145 6.437 4.426 107 2HG1 ILE 26 2HG1 ILE 26 5.307 4.713 4.157 108 1HG2 ILE 26 1HG2 ILE 26 8.651 4.734 2.688 109 2HG2 ILE 26 2HG2 ILE 26 8.801 5.109 4.422 110 3HG2 ILE 26 3HG2 ILE 26 7.666 3.850 3.879 111 1HD1 ILE 26 1HD1 ILE 26 5.861 4.577 6.359 112 2HD1 ILE 26 2HD1 ILE 26 7.435 5.258 5.882 113 3HD1 ILE 26 3HD1 ILE 26 6.144 6.331 6.473 114 H GLY 27 H GLY 27 8.228 6.144 1.449 115 1HA GLY 27 1HA GLY 27 9.768 7.759 0.061 116 2HA GLY 27 2HA GLY 27 10.884 7.369 1.355 117 H ILE 28 H ILE 28 11.271 4.975 1.817 118 HA ILE 28 HA ILE 28 11.071 3.471 -0.700 119 HB ILE 28 HB ILE 28 13.203 2.682 -0.461 120 1HG1 ILE 28 1HG1 ILE 28 12.885 1.860 1.865 121 2HG1 ILE 28 2HG1 ILE 28 14.480 2.516 1.555 122 1HG2 ILE 28 1HG2 ILE 28 13.507 4.923 -1.050 123 2HG2 ILE 28 2HG2 ILE 28 13.110 5.508 0.584 124 3HG2 ILE 28 3HG2 ILE 28 14.651 4.666 0.290 125 1HD1 ILE 28 1HD1 ILE 28 14.127 3.746 3.443 126 2HD1 ILE 28 2HD1 ILE 28 13.113 4.774 2.402 127 3HD1 ILE 28 3HD1 ILE 28 12.366 3.491 3.384 128 H GLU 29 H GLU 29 10.533 3.627 2.777 129 HA GLU 29 HA GLU 29 10.267 0.881 3.192 130 1HB GLU 29 1HB GLU 29 10.092 3.271 4.729 131 2HB GLU 29 2HB GLU 29 8.562 2.448 4.955 132 1HG GLU 29 1HG GLU 29 9.910 1.489 6.637 133 2HG GLU 29 2HG GLU 29 9.996 0.296 5.357 134 H GLY 30 H GLY 30 8.443 2.992 1.279 135 1HA GLY 30 1HA GLY 30 6.283 3.026 0.559 136 2HA GLY 30 2HA GLY 30 6.616 1.325 0.302 137 H ALA 31 H ALA 31 4.343 0.837 0.681 138 HA ALA 31 HA ALA 31 3.698 0.876 3.548 139 1HB ALA 31 1HB ALA 31 1.893 2.126 3.081 140 2HB ALA 31 2HB ALA 31 2.321 2.139 1.354 141 3HB ALA 31 3HB ALA 31 1.299 0.836 2.008 142 H THR 32 H THR 32 4.366 -1.243 3.963 143 HA THR 32 HA THR 32 3.569 -3.354 2.163 144 HB THR 32 HB THR 32 5.556 -2.870 4.202 145 HG1 THR 32 1HG THR 32 4.773 -5.165 2.544 146 1HG2 THR 32 1HG2 THR 32 3.782 -4.200 5.614 147 2HG2 THR 32 2HG2 THR 32 4.168 -5.561 4.534 148 3HG2 THR 32 3HG2 THR 32 5.440 -4.843 5.550 149 H ALA 33 H ALA 33 2.641 -5.429 3.343 150 HA ALA 33 HA ALA 33 -0.003 -4.862 3.901 151 1HB ALA 33 1HB ALA 33 0.068 -7.064 3.434 152 2HB ALA 33 2HB ALA 33 1.796 -7.165 3.851 153 3HB ALA 33 3HB ALA 33 0.563 -7.319 5.125 154 H ALA 34 H ALA 34 2.434 -6.134 6.287 155 HA ALA 34 HA ALA 34 1.076 -5.857 8.560 156 1HB ALA 34 1HB ALA 34 3.771 -6.111 7.781 157 2HB ALA 34 2HB ALA 34 3.740 -4.732 8.907 158 3HB ALA 34 3HB ALA 34 3.105 -6.313 9.420 159 H GLN 35 H GLN 35 2.990 -3.162 7.039 160 HA GLN 35 HA GLN 35 2.598 -1.193 8.719 161 1HB GLN 35 1HB GLN 35 2.850 -1.398 5.807 162 2HB GLN 35 2HB GLN 35 1.930 0.024 6.259 163 1HG GLN 35 1HG GLN 35 3.794 0.554 7.953 164 2HG GLN 35 2HG GLN 35 4.728 -0.731 7.212 165 1HE2 GLN 35 1HE2 GLN 35 2.693 2.020 6.205 166 2HE2 GLN 35 2HE2 GLN 35 3.754 2.641 4.985 167 H LEU 36 H LEU 36 0.234 -1.463 5.972 168 HA LEU 36 HA LEU 36 -1.697 0.123 7.050 169 1HB LEU 36 1HB LEU 36 -1.769 -2.194 5.147 170 2HB LEU 36 2HB LEU 36 -3.256 -1.406 5.636 171 HG LEU 36 HG LEU 36 -2.216 0.784 4.852 172 1HD1 LEU 36 1HD1 LEU 36 0.118 0.106 4.828 173 2HD1 LEU 36 2HD1 LEU 36 -0.225 -1.113 3.577 174 3HD1 LEU 36 3HD1 LEU 36 -0.398 0.619 3.204 175 1HD2 LEU 36 1HD2 LEU 36 -2.677 -1.346 2.746 176 2HD2 LEU 36 2HD2 LEU 36 -3.956 -0.465 3.616 177 3HD2 LEU 36 3HD2 LEU 36 -2.839 0.415 2.545 178 H THR 37 H THR 37 -1.272 -3.447 7.480 179 HA THR 37 HA THR 37 -3.522 -3.919 9.003 180 HB THR 37 HB THR 37 -0.748 -5.184 9.296 181 HG1 THR 37 1HG THR 37 -3.031 -5.628 7.502 182 1HG2 THR 37 1HG2 THR 37 -3.212 -6.842 9.194 183 2HG2 THR 37 2HG2 THR 37 -1.815 -6.965 10.291 184 3HG2 THR 37 3HG2 THR 37 -3.117 -5.801 10.635 185 H ARG 38 H ARG 38 -0.720 -2.011 9.791 186 HA ARG 38 HA ARG 38 -1.298 -2.261 12.603 187 1HB ARG 38 1HB ARG 38 1.089 -2.113 11.437 188 2HB ARG 38 2HB ARG 38 0.785 -0.388 11.430 189 1HG ARG 38 1HG ARG 38 0.646 -0.283 13.825 190 2HG ARG 38 2HG ARG 38 0.456 -2.019 13.976 191 1HD ARG 38 1HD ARG 38 2.706 -2.021 14.405 192 2HD ARG 38 2HD ARG 38 2.881 -1.893 12.666 193 HE ARG 38 HE ARG 38 3.310 0.249 14.634 194 1HH1 ARG 38 2HH2 ARG 38 2.740 -0.517 11.248 195 2HH1 ARG 38 1HH2 ARG 38 3.400 0.975 10.667 196 1HH2 ARG 38 2HH1 ARG 38 4.181 2.218 13.869 197 2HH2 ARG 38 1HH1 ARG 38 4.226 2.541 12.168 198 H GLN 39 H GLN 39 -1.573 -0.018 9.841 199 HA GLN 39 HA GLN 39 -2.110 2.268 11.354 200 1HB GLN 39 1HB GLN 39 -2.213 1.448 8.509 201 2HB GLN 39 2HB GLN 39 -3.390 2.679 8.922 202 1HG GLN 39 1HG GLN 39 -1.781 4.274 9.037 203 2HG GLN 39 2HG GLN 39 -0.855 3.330 10.187 204 1HE2 GLN 39 1HE2 GLN 39 0.479 1.570 9.344 205 2HE2 GLN 39 2HE2 GLN 39 1.266 1.752 7.812 206 H LEU 40 H LEU 40 -4.059 -0.492 10.281 207 HA LEU 40 HA LEU 40 -6.446 0.862 11.327 208 1HB LEU 40 1HB LEU 40 -7.494 -1.195 10.013 209 2HB LEU 40 2HB LEU 40 -7.163 0.357 9.269 210 HG LEU 40 HG LEU 40 -5.038 -1.755 9.182 211 1HD1 LEU 40 1HD1 LEU 40 -6.155 -3.195 7.916 212 2HD1 LEU 40 2HD1 LEU 40 -7.645 -2.300 8.299 213 3HD1 LEU 40 3HD1 LEU 40 -6.717 -1.898 6.834 214 1HD2 LEU 40 1HD2 LEU 40 -5.906 0.402 7.237 215 2HD2 LEU 40 2HD2 LEU 40 -4.532 0.490 8.365 216 3HD2 LEU 40 3HD2 LEU 40 -4.519 -0.695 7.036 217 H ASN 41 H ASN 41 -5.100 -2.501 10.977 218 HA ASN 41 HA ASN 41 -4.728 -3.043 13.565 219 1HB ASN 41 1HB ASN 41 -7.552 -2.723 13.115 220 2HB ASN 41 2HB ASN 41 -7.279 -4.439 13.343 221 1HD2 ASN 41 1HD2 ASN 41 -5.756 -1.499 14.662 222 2HD2 ASN 41 2HD2 ASN 41 -5.967 -1.875 16.339 223 H MET 42 H MET 42 -6.798 -4.417 10.888 224 HA MET 42 HA MET 42 -4.933 -6.094 9.863 225 1HB MET 42 1HB MET 42 -5.590 -7.017 12.416 226 2HB MET 42 2HB MET 42 -6.700 -7.938 11.421 227 1HG MET 42 1HG MET 42 -4.404 -8.237 9.949 228 2HG MET 42 2HG MET 42 -3.710 -8.069 11.549 229 1HE MET 42 1HE MET 42 -3.771 -11.838 10.556 230 2HE MET 42 2HE MET 42 -4.723 -11.058 9.270 231 3HE MET 42 3HE MET 42 -3.244 -10.278 9.881 232 H GLU 43 H GLU 43 -7.128 -4.434 9.046 233 HA GLU 43 HA GLU 43 -9.289 -6.159 8.372 234 1HB GLU 43 1HB GLU 43 -9.157 -3.500 8.779 235 2HB GLU 43 2HB GLU 43 -8.911 -3.487 7.044 236 1HG GLU 43 1HG GLU 43 -11.056 -4.225 6.586 237 2HG GLU 43 2HG GLU 43 -11.125 -5.252 8.004 238 H LYS 44 H LYS 44 -7.193 -7.518 7.404 239 HA LYS 44 HA LYS 44 -6.108 -6.860 4.987 240 1HB LYS 44 1HB LYS 44 -5.379 -8.761 6.302 241 2HB LYS 44 2HB LYS 44 -6.916 -9.572 6.075 242 1HG LYS 44 1HG LYS 44 -6.477 -9.481 3.547 243 2HG LYS 44 2HG LYS 44 -4.862 -8.911 3.917 244 1HD LYS 44 1HD LYS 44 -6.017 -11.513 5.020 245 2HD LYS 44 2HD LYS 44 -5.057 -11.429 3.557 246 1HE LYS 44 1HE LYS 44 -3.196 -10.345 4.915 247 2HE LYS 44 2HE LYS 44 -4.151 -10.616 6.359 248 1HZ LYS 44 1HZ LYS 44 -4.195 -13.024 5.358 249 2HZ LYS 44 2HZ LYS 44 -2.784 -12.537 4.695 250 3HZ LYS 44 3HZ LYS 44 -2.975 -12.513 6.317 251 H ARG 45 H ARG 45 -9.432 -7.669 5.773 252 HA ARG 45 HA ARG 45 -10.196 -8.582 3.273 253 1HB ARG 45 1HB ARG 45 -11.446 -7.895 5.788 254 2HB ARG 45 2HB ARG 45 -12.365 -7.120 4.513 255 1HG ARG 45 1HG ARG 45 -11.658 -9.845 3.725 256 2HG ARG 45 2HG ARG 45 -12.457 -9.858 5.284 257 1HD ARG 45 1HD ARG 45 -13.885 -7.999 3.606 258 2HD ARG 45 2HD ARG 45 -13.633 -9.460 2.671 259 HE ARG 45 HE ARG 45 -14.468 -10.340 5.206 260 1HH1 ARG 45 2HH2 ARG 45 -15.785 -8.318 2.645 261 2HH1 ARG 45 1HH2 ARG 45 -17.433 -8.700 3.016 262 1HH2 ARG 45 2HH1 ARG 45 -16.643 -10.844 5.696 263 2HH2 ARG 45 1HH1 ARG 45 -17.924 -10.146 4.764 264 H GLU 46 H GLU 46 -10.397 -5.291 4.812 265 HA GLU 46 HA GLU 46 -11.339 -4.140 2.395 266 1HB GLU 46 1HB GLU 46 -11.500 -2.119 3.623 267 2HB GLU 46 2HB GLU 46 -11.826 -3.366 4.810 268 1HG GLU 46 1HG GLU 46 -10.232 -2.246 6.030 269 2HG GLU 46 2HG GLU 46 -9.121 -3.219 5.087 270 H VAL 47 H VAL 47 -8.209 -4.583 4.044 271 HA VAL 47 HA VAL 47 -6.800 -2.693 2.474 272 HB VAL 47 HB VAL 47 -6.351 -4.174 4.750 273 1HG1 VAL 47 1HG1 VAL 47 -5.703 -6.087 3.192 274 2HG1 VAL 47 2HG1 VAL 47 -4.285 -5.109 2.744 275 3HG1 VAL 47 3HG1 VAL 47 -4.509 -5.631 4.431 276 1HG2 VAL 47 1HG2 VAL 47 -4.562 -2.770 5.040 277 2HG2 VAL 47 2HG2 VAL 47 -3.993 -2.961 3.365 278 3HG2 VAL 47 3HG2 VAL 47 -5.391 -1.917 3.716 279 H ASN 48 H ASN 48 -7.910 -6.010 2.020 280 HA ASN 48 HA ASN 48 -6.036 -6.588 -0.016 281 1HB ASN 48 1HB ASN 48 -8.539 -7.874 1.096 282 2HB ASN 48 2HB ASN 48 -7.989 -8.406 -0.481 283 1HD2 ASN 48 1HD2 ASN 48 -7.960 -10.336 1.159 284 2HD2 ASN 48 2HD2 ASN 48 -6.408 -10.717 1.828 285 H LYS 49 H LYS 49 -9.639 -5.995 0.082 286 HA LYS 49 HA LYS 49 -10.016 -5.896 -2.661 287 1HB LYS 49 1HB LYS 49 -11.548 -5.509 -0.285 288 2HB LYS 49 2HB LYS 49 -11.858 -4.145 -1.339 289 1HG LYS 49 1HG LYS 49 -11.794 -6.799 -2.706 290 2HG LYS 49 2HG LYS 49 -13.105 -6.590 -1.563 291 1HD LYS 49 1HD LYS 49 -13.071 -4.152 -2.963 292 2HD LYS 49 2HD LYS 49 -12.708 -5.336 -4.203 293 1HE LYS 49 1HE LYS 49 -14.731 -6.612 -3.681 294 2HE LYS 49 2HE LYS 49 -15.044 -5.634 -2.261 295 1HZ LYS 49 1HZ LYS 49 -15.100 -4.717 -5.050 296 2HZ LYS 49 2HZ LYS 49 -16.375 -4.865 -4.041 297 3HZ LYS 49 3HZ LYS 49 -15.244 -3.720 -3.764 298 H ALA 50 H ALA 50 -8.724 -3.514 -0.373 299 HA ALA 50 HA ALA 50 -9.022 -1.307 -2.153 300 1HB ALA 50 1HB ALA 50 -7.230 -1.669 0.282 301 2HB ALA 50 2HB ALA 50 -7.699 -0.127 -0.472 302 3HB ALA 50 3HB ALA 50 -8.926 -1.132 0.335 303 H LEU 51 H LEU 51 -6.160 -3.226 -0.980 304 HA LEU 51 HA LEU 51 -4.278 -2.095 -2.600 305 1HB LEU 51 1HB LEU 51 -4.623 -4.641 -1.163 306 2HB LEU 51 2HB LEU 51 -3.476 -4.699 -2.486 307 HG LEU 51 HG LEU 51 -2.158 -4.189 -0.644 308 1HD1 LEU 51 1HD1 LEU 51 -2.737 -1.374 -1.539 309 2HD1 LEU 51 2HD1 LEU 51 -1.182 -2.128 -1.115 310 3HD1 LEU 51 3HD1 LEU 51 -1.996 -2.562 -2.638 311 1HD2 LEU 51 1HD2 LEU 51 -4.440 -2.446 0.265 312 2HD2 LEU 51 2HD2 LEU 51 -3.664 -3.816 1.096 313 3HD2 LEU 51 3HD2 LEU 51 -2.804 -2.264 0.942 314 H TYR 52 H TYR 52 -6.607 -4.742 -3.360 315 HA TYR 52 HA TYR 52 -5.592 -5.347 -5.884 316 1HB TYR 52 1HB TYR 52 -8.313 -5.408 -4.468 317 2HB TYR 52 2HB TYR 52 -8.174 -5.995 -6.113 318 HD1 TYR 52 1HD TYR 52 -8.570 -7.205 -3.025 319 HD2 TYR 52 2HD TYR 52 -5.710 -7.499 -6.193 320 HE1 TYR 52 1HE TYR 52 -7.832 -9.478 -2.157 321 HE2 TYR 52 2HE TYR 52 -4.981 -9.771 -5.315 322 HH TYR 52 HH TYR 52 -5.225 -11.268 -3.784 323 H ASP 53 H ASP 53 -8.620 -3.462 -5.164 324 HA ASP 53 HA ASP 53 -9.164 -2.582 -7.592 325 1HB ASP 53 1HB ASP 53 -10.012 -1.944 -5.069 326 2HB ASP 53 2HB ASP 53 -9.208 -0.445 -5.489 327 H LEU 54 H LEU 54 -6.918 -0.962 -5.223 328 HA LEU 54 HA LEU 54 -6.145 1.121 -6.896 329 1HB LEU 54 1HB LEU 54 -4.912 -0.215 -4.503 330 2HB LEU 54 2HB LEU 54 -4.080 1.076 -5.347 331 HG LEU 54 HG LEU 54 -6.674 1.199 -3.816 332 1HD1 LEU 54 1HD1 LEU 54 -3.964 2.488 -3.591 333 2HD1 LEU 54 2HD1 LEU 54 -5.401 3.229 -2.846 334 3HD1 LEU 54 3HD1 LEU 54 -4.896 1.590 -2.370 335 1HD2 LEU 54 1HD2 LEU 54 -6.488 3.727 -4.657 336 2HD2 LEU 54 2HD2 LEU 54 -5.796 2.916 -6.083 337 3HD2 LEU 54 3HD2 LEU 54 -7.431 2.490 -5.523 338 H GLN 55 H GLN 55 -4.939 -2.240 -6.521 339 HA GLN 55 HA GLN 55 -2.625 -1.982 -7.945 340 1HB GLN 55 1HB GLN 55 -3.494 -4.004 -6.642 341 2HB GLN 55 2HB GLN 55 -4.476 -4.400 -8.037 342 1HG GLN 55 1HG GLN 55 -2.461 -4.583 -9.458 343 2HG GLN 55 2HG GLN 55 -1.442 -4.058 -8.132 344 1HE2 GLN 55 1HE2 GLN 55 -0.414 -5.596 -7.132 345 2HE2 GLN 55 2HE2 GLN 55 -0.923 -7.235 -6.905 346 H ARG 56 H ARG 56 -5.965 -2.745 -9.134 347 HA ARG 56 HA ARG 56 -5.106 -2.878 -11.807 348 1HB ARG 56 1HB ARG 56 -7.816 -2.721 -10.433 349 2HB ARG 56 2HB ARG 56 -7.712 -2.638 -12.181 350 1HG ARG 56 1HG ARG 56 -8.046 -4.960 -11.643 351 2HG ARG 56 2HG ARG 56 -6.368 -4.811 -12.124 352 1HD ARG 56 1HD ARG 56 -5.562 -5.089 -9.930 353 2HD ARG 56 2HD ARG 56 -7.035 -4.486 -9.195 354 HE ARG 56 HE ARG 56 -7.973 -6.640 -9.319 355 1HH1 ARG 56 2HH2 ARG 56 -5.056 -6.499 -11.283 356 2HH1 ARG 56 1HH2 ARG 56 -5.005 -8.209 -11.556 357 1HH2 ARG 56 2HH1 ARG 56 -7.905 -8.895 -9.679 358 2HH2 ARG 56 1HH1 ARG 56 -6.636 -9.581 -10.638 359 H SER 57 H SER 57 -5.874 -0.304 -9.593 360 HA SER 57 HA SER 57 -6.747 1.521 -11.589 361 1HB SER 57 1HB SER 57 -5.886 1.921 -8.691 362 2HB SER 57 2HB SER 57 -6.534 3.199 -9.699 363 HG SER 57 HG SER 57 -8.036 1.851 -8.216 364 H ALA 58 H ALA 58 -3.697 0.488 -10.118 365 HA ALA 58 HA ALA 58 -1.600 0.889 -10.752 366 1HB ALA 58 1HB ALA 58 -2.071 3.088 -12.652 367 2HB ALA 58 2HB ALA 58 -1.247 1.528 -12.891 368 3HB ALA 58 3HB ALA 58 -3.019 1.626 -13.018 369 H MET 59 H MET 59 -3.557 2.624 -8.948 370 HA MET 59 HA MET 59 -2.327 5.148 -8.880 371 1HB MET 59 1HB MET 59 -4.562 4.957 -7.994 372 2HB MET 59 2HB MET 59 -4.155 3.547 -7.036 373 1HG MET 59 1HG MET 59 -4.381 5.578 -5.610 374 2HG MET 59 2HG MET 59 -2.759 4.919 -5.525 375 1HE MET 59 1HE MET 59 -1.637 8.214 -5.094 376 2HE MET 59 2HE MET 59 -1.625 6.469 -4.746 377 3HE MET 59 3HE MET 59 -0.555 7.133 -6.003 378 H VAL 60 H VAL 60 -1.414 2.010 -7.705 379 HA VAL 60 HA VAL 60 0.723 3.275 -6.148 380 HB VAL 60 HB VAL 60 0.531 1.525 -4.473 381 1HG1 VAL 60 1HG1 VAL 60 -1.120 2.552 -3.256 382 2HG1 VAL 60 2HG1 VAL 60 -0.924 3.750 -4.559 383 3HG1 VAL 60 3HG1 VAL 60 -2.265 2.581 -4.619 384 1HG2 VAL 60 1HG2 VAL 60 -0.918 -0.247 -4.527 385 2HG2 VAL 60 2HG2 VAL 60 -2.139 0.633 -5.478 386 3HG2 VAL 60 3HG2 VAL 60 -0.687 -0.018 -6.277 387 H TYR 61 H TYR 61 2.544 1.566 -5.750 388 HA TYR 61 HA TYR 61 2.742 -0.147 -8.133 389 1HB TYR 61 1HB TYR 61 4.337 2.140 -7.079 390 2HB TYR 61 2HB TYR 61 5.333 0.715 -7.300 391 HD1 TYR 61 1HD TYR 61 6.669 1.348 -9.142 392 HD2 TYR 61 2HD TYR 61 2.415 1.739 -9.389 393 HE1 TYR 61 1HE TYR 61 6.853 1.866 -11.624 394 HE2 TYR 61 2HE TYR 61 2.614 2.256 -11.870 395 HH TYR 61 HH TYR 61 4.065 1.966 -13.656 396 H SER 62 H SER 62 5.196 -1.333 -7.608 397 HA SER 62 HA SER 62 4.976 -2.346 -4.907 398 1HB SER 62 1HB SER 62 3.785 -3.766 -6.898 399 2HB SER 62 2HB SER 62 5.412 -4.401 -7.044 400 HG SER 62 HG SER 62 5.144 -5.526 -5.243 401 H SER 63 H SER 63 6.983 -3.530 -4.227 402 HA SER 63 HA SER 63 9.241 -2.330 -5.535 403 1HB SER 63 1HB SER 63 8.991 -2.290 -3.043 404 2HB SER 63 2HB SER 63 9.087 -4.039 -3.012 405 HG SER 63 HG SER 63 11.122 -2.345 -2.882 406 H ASP 64 H ASP 64 7.444 -5.223 -5.729 407 HA ASP 64 HA ASP 64 7.784 -7.197 -6.566 408 1HB ASP 64 1HB ASP 64 9.875 -5.586 -8.071 409 2HB ASP 64 2HB ASP 64 9.679 -7.297 -8.393 410 H ASP 65 H ASP 65 9.011 -6.856 -4.038 411 HA ASP 65 HA ASP 65 10.994 -8.866 -4.176 412 1HB ASP 65 1HB ASP 65 11.833 -6.096 -4.128 413 2HB ASP 65 2HB ASP 65 12.235 -6.811 -2.580 414 H ILE 66 H ILE 66 11.449 -9.700 -1.951 415 HA ILE 66 HA ILE 66 9.271 -9.090 -0.157 416 HB ILE 66 HB ILE 66 11.299 -11.245 -0.466 417 1HG1 ILE 66 1HG1 ILE 66 8.501 -11.741 0.397 418 2HG1 ILE 66 2HG1 ILE 66 8.697 -11.017 -1.186 419 1HG2 ILE 66 1HG2 ILE 66 10.737 -12.160 1.759 420 2HG2 ILE 66 2HG2 ILE 66 11.641 -10.629 1.849 421 3HG2 ILE 66 3HG2 ILE 66 9.886 -10.645 2.147 422 1HD1 ILE 66 1HD1 ILE 66 9.147 -13.760 -0.395 423 2HD1 ILE 66 2HD1 ILE 66 9.232 -13.048 -2.024 424 3HD1 ILE 66 3HD1 ILE 66 10.679 -13.073 -0.988 425 HA PRO 67 HA PRO 67 8.742 -9.091 1.651 426 1HB PRO 67 1HB PRO 67 7.633 -7.170 3.248 427 2HB PRO 67 2HB PRO 67 8.457 -8.582 3.878 428 1HG PRO 67 1HG PRO 67 9.406 -5.785 3.751 429 2HG PRO 67 2HG PRO 67 10.008 -7.105 4.735 430 1HD PRO 67 1HD PRO 67 11.211 -6.054 2.353 431 2HD PRO 67 2HD PRO 67 11.748 -7.446 3.272 432 HA PRO 68 HA PRO 68 6.709 -6.915 -1.371 433 1HB PRO 68 1HB PRO 68 4.151 -7.848 -1.141 434 2HB PRO 68 2HB PRO 68 5.421 -8.727 -1.969 435 1HG PRO 68 1HG PRO 68 4.239 -9.244 0.691 436 2HG PRO 68 2HG PRO 68 5.179 -10.323 -0.321 437 1HD PRO 68 1HD PRO 68 6.096 -8.921 2.007 438 2HD PRO 68 2HD PRO 68 7.063 -9.907 0.929 439 H ARG 69 H ARG 69 6.558 -4.768 -1.340 440 HA ARG 69 HA ARG 69 4.527 -3.802 0.505 441 1HB ARG 69 1HB ARG 69 6.310 -1.669 0.263 442 2HB ARG 69 2HB ARG 69 6.223 -2.760 1.631 443 1HG ARG 69 1HG ARG 69 7.956 -4.200 0.700 444 2HG ARG 69 2HG ARG 69 7.917 -3.355 -0.835 445 1HD ARG 69 1HD ARG 69 9.219 -1.617 -0.066 446 2HD ARG 69 2HD ARG 69 8.434 -1.583 1.501 447 HE ARG 69 HE ARG 69 10.002 -3.150 2.325 448 1HH1 ARG 69 2HH2 ARG 69 10.340 -2.790 -1.159 449 2HH1 ARG 69 1HH2 ARG 69 11.844 -3.646 -1.230 450 1HH2 ARG 69 2HH1 ARG 69 11.987 -4.279 2.232 451 2HH2 ARG 69 1HH1 ARG 69 12.787 -4.498 0.712 452 H TRP 70 H TRP 70 3.493 -1.727 -0.190 453 HA TRP 70 HA TRP 70 3.465 -1.555 -3.105 454 1HB TRP 70 1HB TRP 70 1.544 -0.376 -1.092 455 2HB TRP 70 2HB TRP 70 1.352 -0.412 -2.834 456 HD1 TRP 70 HD TRP 70 1.425 -2.901 0.156 457 HE1 TRP 70 1HE TRP 70 0.043 -5.078 -0.406 458 HE3 TRP 70 3HE TRP 70 0.462 -1.673 -4.683 459 HZ2 TRP 70 2HZ TRP 70 -1.268 -6.020 -2.759 460 HZ3 TRP 70 3HZ TRP 70 -0.875 -3.276 -6.044 461 HH2 TRP 70 HH TRP 70 -1.731 -5.387 -5.156 462 H PHE 71 H PHE 71 4.342 0.202 -4.152 463 HA PHE 71 HA PHE 71 5.247 2.394 -2.423 464 1HB PHE 71 1HB PHE 71 6.261 1.019 -4.959 465 2HB PHE 71 2HB PHE 71 6.786 2.653 -4.605 466 HD1 PHE 71 1HD PHE 71 6.226 0.890 -1.594 467 HD2 PHE 71 2HD PHE 71 9.046 1.366 -4.728 468 HE1 PHE 71 1HE PHE 71 8.033 -0.014 -0.104 469 HE2 PHE 71 2HE PHE 71 10.854 0.462 -3.239 470 HZ PHE 71 HZ PHE 71 10.325 -0.217 -0.945 471 H MET 72 H MET 72 5.851 4.316 -4.319 472 HA MET 72 HA MET 72 3.235 4.758 -5.538 473 1HB MET 72 1HB MET 72 4.285 6.237 -3.521 474 2HB MET 72 2HB MET 72 5.123 7.026 -4.842 475 1HG MET 72 1HG MET 72 2.628 7.028 -5.909 476 2HG MET 72 2HG MET 72 2.178 6.981 -4.216 477 1HE MET 72 1HE MET 72 4.262 10.369 -6.473 478 2HE MET 72 2HE MET 72 4.895 8.706 -6.532 479 3HE MET 72 3HE MET 72 3.260 9.059 -7.141 480 H THR 73 H THR 73 3.638 4.061 -7.652 481 HA THR 73 HA THR 73 4.793 3.836 -9.595 482 HB THR 73 HB THR 73 3.241 5.790 -9.813 483 HG1 THR 73 1HG THR 73 4.266 6.182 -11.764 484 1HG2 THR 73 1HG2 THR 73 5.707 7.540 -9.417 485 2HG2 THR 73 2HG2 THR 73 4.007 8.050 -9.554 486 3HG2 THR 73 3HG2 THR 73 4.574 7.230 -8.079 487 H THR 74 H THR 74 6.671 3.165 -7.888 488 HA THR 74 HA THR 74 9.030 4.283 -9.095 489 HB THR 74 HB THR 74 8.470 5.887 -7.205 490 HG1 THR 74 1HG THR 74 10.694 5.478 -6.261 491 1HG2 THR 74 1HG2 THR 74 8.706 3.287 -5.648 492 2HG2 THR 74 2HG2 THR 74 9.242 4.815 -4.908 493 3HG2 THR 74 3HG2 THR 74 7.548 4.619 -5.419 Start of MODEL 17 1 H ARG 13 H ARG 13 -10.905 9.351 -2.293 2 HA ARG 13 HA ARG 13 -12.001 10.182 -0.586 3 1HB ARG 13 1HB ARG 13 -14.023 9.265 -2.607 4 2HB ARG 13 2HB ARG 13 -14.672 9.782 -1.064 5 1HG ARG 13 1HG ARG 13 -12.660 11.478 -2.598 6 2HG ARG 13 2HG ARG 13 -14.381 11.592 -2.906 7 1HD ARG 13 1HD ARG 13 -14.107 11.704 -0.069 8 2HD ARG 13 2HD ARG 13 -12.835 12.729 -0.703 9 HE ARG 13 HE ARG 13 -15.685 13.265 -0.800 10 1HH1 ARG 13 2HH2 ARG 13 -12.672 13.794 -2.538 11 2HH1 ARG 13 1HH2 ARG 13 -13.227 15.238 -3.318 12 1HH2 ARG 13 2HH1 ARG 13 -16.418 15.169 -1.828 13 2HH2 ARG 13 1HH1 ARG 13 -15.372 16.025 -2.912 14 H SER 14 H SER 14 -10.994 7.993 0.528 15 HA SER 14 HA SER 14 -12.902 7.262 2.421 16 1HB SER 14 1HB SER 14 -12.348 5.296 0.197 17 2HB SER 14 2HB SER 14 -12.598 4.680 1.818 18 HG SER 14 HG SER 14 -14.425 6.038 0.091 19 H ASN 15 H ASN 15 -10.649 4.750 1.349 20 HA ASN 15 HA ASN 15 -8.858 5.612 3.480 21 1HB ASN 15 1HB ASN 15 -8.196 2.967 3.027 22 2HB ASN 15 2HB ASN 15 -9.334 3.493 4.251 23 1HD2 ASN 15 1HD2 ASN 15 -8.856 1.811 1.329 24 2HD2 ASN 15 2HD2 ASN 15 -10.491 1.350 0.992 25 H ALA 16 H ALA 16 -9.239 4.320 0.146 26 HA ALA 16 HA ALA 16 -6.655 3.783 -0.543 27 1HB ALA 16 1HB ALA 16 -8.193 3.245 -2.180 28 2HB ALA 16 2HB ALA 16 -9.103 4.761 -1.977 29 3HB ALA 16 3HB ALA 16 -7.556 4.763 -2.857 30 H GLU 17 H GLU 17 -8.309 6.956 -0.234 31 HA GLU 17 HA GLU 17 -6.255 8.426 -1.409 32 1HB GLU 17 1HB GLU 17 -7.361 10.380 -0.315 33 2HB GLU 17 2HB GLU 17 -8.502 9.347 -1.153 34 1HG GLU 17 1HG GLU 17 -9.671 9.397 0.812 35 2HG GLU 17 2HG GLU 17 -8.524 8.182 1.340 36 H ILE 18 H ILE 18 -6.910 7.342 1.954 37 HA ILE 18 HA ILE 18 -4.771 8.870 3.055 38 HB ILE 18 HB ILE 18 -6.346 6.548 4.175 39 1HG1 ILE 18 1HG1 ILE 18 -6.788 9.541 4.309 40 2HG1 ILE 18 2HG1 ILE 18 -7.846 8.337 3.599 41 1HG2 ILE 18 1HG2 ILE 18 -3.983 7.648 5.140 42 2HG2 ILE 18 2HG2 ILE 18 -5.258 8.457 6.082 43 3HG2 ILE 18 3HG2 ILE 18 -5.163 6.680 6.055 44 1HD1 ILE 18 1HD1 ILE 18 -7.369 7.464 6.271 45 2HD1 ILE 18 2HD1 ILE 18 -7.688 9.213 6.361 46 3HD1 ILE 18 3HD1 ILE 18 -8.879 8.129 5.601 47 H VAL 19 H VAL 19 -5.225 5.560 1.767 48 HA VAL 19 HA VAL 19 -2.810 4.514 2.718 49 HB VAL 19 HB VAL 19 -4.225 3.754 0.164 50 1HG1 VAL 19 1HG1 VAL 19 -3.285 1.632 0.435 51 2HG1 VAL 19 2HG1 VAL 19 -1.968 2.723 0.928 52 3HG1 VAL 19 3HG1 VAL 19 -2.945 1.892 2.162 53 1HG2 VAL 19 1HG2 VAL 19 -6.085 3.317 1.315 54 2HG2 VAL 19 2HG2 VAL 19 -5.170 2.136 2.282 55 3HG2 VAL 19 3HG2 VAL 19 -5.312 3.822 2.836 56 H CYS 20 H CYS 20 -3.695 6.354 -0.247 57 HA CYS 20 HA CYS 20 -1.161 6.046 -1.440 58 1HB CYS 20 1HB CYS 20 -3.468 6.729 -2.483 59 2HB CYS 20 2HB CYS 20 -2.994 8.358 -2.045 60 HG CYS 20 HG CYS 20 -0.381 7.214 -3.075 61 H GLU 21 H GLU 21 -2.737 8.449 0.730 62 HA GLU 21 HA GLU 21 -0.745 10.369 0.566 63 1HB GLU 21 1HB GLU 21 -3.123 9.830 2.193 64 2HB GLU 21 2HB GLU 21 -1.850 10.550 3.158 65 1HG GLU 21 1HG GLU 21 -2.250 11.801 0.476 66 2HG GLU 21 2HG GLU 21 -3.598 11.981 1.582 67 H ALA 22 H ALA 22 -1.003 7.323 2.360 68 HA ALA 22 HA ALA 22 1.139 7.979 4.159 69 1HB ALA 22 1HB ALA 22 -0.907 6.406 4.519 70 2HB ALA 22 2HB ALA 22 0.046 5.214 3.604 71 3HB ALA 22 3HB ALA 22 0.683 5.884 5.125 72 H ILE 23 H ILE 23 0.684 5.503 1.527 73 HA ILE 23 HA ILE 23 3.317 4.724 1.395 74 HB ILE 23 HB ILE 23 1.405 3.580 0.367 75 1HG1 ILE 23 1HG1 ILE 23 3.827 3.203 -0.297 76 2HG1 ILE 23 2HG1 ILE 23 2.606 2.648 -1.425 77 1HG2 ILE 23 1HG2 ILE 23 0.013 4.571 -1.045 78 2HG2 ILE 23 2HG2 ILE 23 0.938 6.080 -0.856 79 3HG2 ILE 23 3HG2 ILE 23 1.347 4.943 -2.163 80 1HD1 ILE 23 1HD1 ILE 23 4.745 4.457 -1.939 81 2HD1 ILE 23 2HD1 ILE 23 3.440 3.981 -3.052 82 3HD1 ILE 23 3HD1 ILE 23 3.248 5.417 -2.018 83 H LYS 24 H LYS 24 1.760 7.688 0.292 84 HA LYS 24 HA LYS 24 3.904 8.380 -1.483 85 1HB LYS 24 1HB LYS 24 1.588 9.086 -1.907 86 2HB LYS 24 2HB LYS 24 1.574 10.002 -0.414 87 1HG LYS 24 1HG LYS 24 3.925 10.812 -1.839 88 2HG LYS 24 2HG LYS 24 2.623 10.777 -3.011 89 1HD LYS 24 1HD LYS 24 1.252 12.049 -1.126 90 2HD LYS 24 2HD LYS 24 2.836 12.418 -0.472 91 1HE LYS 24 1HE LYS 24 2.993 14.128 -1.955 92 2HE LYS 24 2HE LYS 24 3.066 12.949 -3.249 93 1HZ LYS 24 1HZ LYS 24 1.123 14.740 -2.944 94 2HZ LYS 24 2HZ LYS 24 0.968 13.359 -3.802 95 3HZ LYS 24 3HZ LYS 24 0.428 13.429 -2.262 96 H THR 25 H THR 25 2.763 9.367 1.809 97 HA THR 25 HA THR 25 4.765 11.263 2.256 98 HB THR 25 HB THR 25 2.971 9.528 4.006 99 HG1 THR 25 1HG THR 25 1.784 11.394 3.752 100 1HG2 THR 25 1HG2 THR 25 5.375 10.760 4.908 101 2HG2 THR 25 2HG2 THR 25 4.072 11.903 5.314 102 3HG2 THR 25 3HG2 THR 25 4.009 10.230 5.918 103 H ILE 26 H ILE 26 4.763 7.707 2.555 104 HA ILE 26 HA ILE 26 7.075 7.483 4.083 105 HB ILE 26 HB ILE 26 5.888 5.648 2.000 106 1HG1 ILE 26 1HG1 ILE 26 5.661 5.281 4.971 107 2HG1 ILE 26 2HG1 ILE 26 4.600 6.420 4.165 108 1HG2 ILE 26 1HG2 ILE 26 8.082 4.878 2.220 109 2HG2 ILE 26 2HG2 ILE 26 8.145 5.255 3.958 110 3HG2 ILE 26 3HG2 ILE 26 7.161 3.890 3.379 111 1HD1 ILE 26 1HD1 ILE 26 4.322 3.589 4.298 112 2HD1 ILE 26 2HD1 ILE 26 3.310 4.733 3.385 113 3HD1 ILE 26 3HD1 ILE 26 4.718 3.973 2.605 114 H GLY 27 H GLY 27 7.394 6.079 0.870 115 1HA GLY 27 1HA GLY 27 8.607 7.554 -0.821 116 2HA GLY 27 2HA GLY 27 9.787 7.754 0.459 117 H ILE 28 H ILE 28 10.546 5.560 1.522 118 HA ILE 28 HA ILE 28 10.922 3.643 -0.674 119 HB ILE 28 HB ILE 28 13.115 3.408 -0.160 120 1HG1 ILE 28 1HG1 ILE 28 14.002 4.221 2.175 121 2HG1 ILE 28 2HG1 ILE 28 12.325 4.068 2.663 122 1HG2 ILE 28 1HG2 ILE 28 12.679 5.748 -0.852 123 2HG2 ILE 28 2HG2 ILE 28 12.646 6.221 0.864 124 3HG2 ILE 28 3HG2 ILE 28 14.140 5.569 0.149 125 1HD1 ILE 28 1HD1 ILE 28 14.132 1.996 2.670 126 2HD1 ILE 28 2HD1 ILE 28 12.368 1.780 2.572 127 3HD1 ILE 28 3HD1 ILE 28 13.351 1.762 1.088 128 H GLU 29 H GLU 29 10.150 4.218 2.755 129 HA GLU 29 HA GLU 29 10.228 1.544 3.524 130 1HB GLU 29 1HB GLU 29 9.831 3.984 4.782 131 2HB GLU 29 2HB GLU 29 8.242 3.256 4.909 132 1HG GLU 29 1HG GLU 29 8.955 1.618 6.359 133 2HG GLU 29 2HG GLU 29 10.474 1.385 5.515 134 H GLY 30 H GLY 30 8.210 3.121 1.303 135 1HA GLY 30 1HA GLY 30 6.106 2.746 0.521 136 2HA GLY 30 2HA GLY 30 6.688 1.093 0.496 137 H ALA 31 H ALA 31 4.472 0.354 0.861 138 HA ALA 31 HA ALA 31 3.804 0.453 3.706 139 1HB ALA 31 1HB ALA 31 2.464 2.033 1.948 140 2HB ALA 31 2HB ALA 31 1.524 0.530 1.790 141 3HB ALA 31 3HB ALA 31 1.708 1.302 3.384 142 H THR 32 H THR 32 4.490 -1.666 4.063 143 HA THR 32 HA THR 32 3.712 -3.742 2.219 144 HB THR 32 HB THR 32 5.887 -3.411 3.755 145 HG1 THR 32 1HG THR 32 6.113 -5.569 3.156 146 1HG2 THR 32 1HG2 THR 32 5.688 -4.974 5.733 147 2HG2 THR 32 2HG2 THR 32 4.750 -3.478 5.952 148 3HG2 THR 32 3HG2 THR 32 3.923 -4.988 5.500 149 H ALA 33 H ALA 33 2.890 -5.879 3.496 150 HA ALA 33 HA ALA 33 0.206 -5.376 3.992 151 1HB ALA 33 1HB ALA 33 0.656 -7.547 3.317 152 2HB ALA 33 2HB ALA 33 2.102 -7.682 4.347 153 3HB ALA 33 3HB ALA 33 0.480 -7.790 5.072 154 H ALA 34 H ALA 34 2.509 -6.746 6.441 155 HA ALA 34 HA ALA 34 1.087 -6.334 8.662 156 1HB ALA 34 1HB ALA 34 3.135 -6.450 9.843 157 2HB ALA 34 2HB ALA 34 3.467 -7.282 8.305 158 3HB ALA 34 3HB ALA 34 4.028 -5.611 8.552 159 H GLN 35 H GLN 35 3.161 -3.845 7.032 160 HA GLN 35 HA GLN 35 3.037 -1.822 8.706 161 1HB GLN 35 1HB GLN 35 3.127 -2.096 5.789 162 2HB GLN 35 2HB GLN 35 2.365 -0.589 6.259 163 1HG GLN 35 1HG GLN 35 4.895 -1.379 7.696 164 2HG GLN 35 2HG GLN 35 5.043 -0.828 6.039 165 1HE2 GLN 35 1HE2 GLN 35 3.718 1.177 5.518 166 2HE2 GLN 35 2HE2 GLN 35 3.784 2.484 6.653 167 H LEU 36 H LEU 36 0.566 -1.817 6.052 168 HA LEU 36 HA LEU 36 -1.175 -0.101 7.237 169 1HB LEU 36 1HB LEU 36 -1.563 -2.369 5.305 170 2HB LEU 36 2HB LEU 36 -2.918 -1.393 5.837 171 HG LEU 36 HG LEU 36 -1.678 0.644 5.015 172 1HD1 LEU 36 1HD1 LEU 36 0.217 -1.476 4.002 173 2HD1 LEU 36 2HD1 LEU 36 0.096 0.135 3.256 174 3HD1 LEU 36 3HD1 LEU 36 0.577 -0.022 4.963 175 1HD2 LEU 36 1HD2 LEU 36 -2.549 -1.545 3.129 176 2HD2 LEU 36 2HD2 LEU 36 -3.453 -0.113 3.676 177 3HD2 LEU 36 3HD2 LEU 36 -2.079 0.075 2.560 178 H THR 37 H THR 37 -1.100 -3.710 7.547 179 HA THR 37 HA THR 37 -3.321 -4.039 9.120 180 HB THR 37 HB THR 37 -0.624 -5.482 9.310 181 HG1 THR 37 1HG THR 37 -1.312 -6.363 7.369 182 1HG2 THR 37 1HG2 THR 37 -2.933 -5.939 10.804 183 2HG2 THR 37 2HG2 THR 37 -3.192 -6.978 9.382 184 3HG2 THR 37 3HG2 THR 37 -1.736 -7.188 10.386 185 H ARG 38 H ARG 38 -0.346 -2.387 9.910 186 HA ARG 38 HA ARG 38 -0.926 -2.612 12.720 187 1HB ARG 38 1HB ARG 38 1.439 -2.232 11.164 188 2HB ARG 38 2HB ARG 38 1.227 -0.743 12.065 189 1HG ARG 38 1HG ARG 38 0.981 -3.439 13.449 190 2HG ARG 38 2HG ARG 38 2.554 -2.713 13.182 191 1HD ARG 38 1HD ARG 38 1.563 -0.573 14.303 192 2HD ARG 38 2HD ARG 38 0.244 -1.601 14.828 193 HE ARG 38 HE ARG 38 2.710 -2.894 15.490 194 1HH1 ARG 38 2HH2 ARG 38 0.794 -0.098 16.434 195 2HH1 ARG 38 1HH2 ARG 38 1.395 -0.074 18.058 196 1HH2 ARG 38 2HH1 ARG 38 3.504 -2.862 17.633 197 2HH2 ARG 38 1HH1 ARG 38 2.947 -1.657 18.745 198 H GLN 39 H GLN 39 -0.886 -0.238 10.021 199 HA GLN 39 HA GLN 39 -1.274 2.033 11.542 200 1HB GLN 39 1HB GLN 39 -1.405 1.257 8.720 201 2HB GLN 39 2HB GLN 39 -2.628 2.453 9.099 202 1HG GLN 39 1HG GLN 39 -0.522 3.559 8.427 203 2HG GLN 39 2HG GLN 39 -0.907 3.941 10.093 204 1HE2 GLN 39 1HE2 GLN 39 0.788 1.462 8.178 205 2HE2 GLN 39 2HE2 GLN 39 2.161 1.281 9.217 206 H LEU 40 H LEU 40 -3.477 -0.552 10.543 207 HA LEU 40 HA LEU 40 -5.711 0.998 11.652 208 1HB LEU 40 1HB LEU 40 -6.958 -0.977 10.377 209 2HB LEU 40 2HB LEU 40 -6.542 0.551 9.627 210 HG LEU 40 HG LEU 40 -4.585 -1.715 9.460 211 1HD1 LEU 40 1HD1 LEU 40 -6.654 -1.526 7.321 212 2HD1 LEU 40 2HD1 LEU 40 -5.697 -2.919 7.880 213 3HD1 LEU 40 3HD1 LEU 40 -7.089 -2.354 8.835 214 1HD2 LEU 40 1HD2 LEU 40 -3.954 0.514 8.651 215 2HD2 LEU 40 2HD2 LEU 40 -4.023 -0.677 7.329 216 3HD2 LEU 40 3HD2 LEU 40 -5.341 0.502 7.535 217 H ASN 41 H ASN 41 -4.872 -2.511 11.214 218 HA ASN 41 HA ASN 41 -4.419 -3.055 13.836 219 1HB ASN 41 1HB ASN 41 -7.216 -2.539 13.386 220 2HB ASN 41 2HB ASN 41 -7.060 -4.268 13.623 221 1HD2 ASN 41 1HD2 ASN 41 -5.133 -1.587 14.927 222 2HD2 ASN 41 2HD2 ASN 41 -5.438 -1.885 16.606 223 H MET 42 H MET 42 -6.546 -4.248 11.121 224 HA MET 42 HA MET 42 -4.801 -6.075 10.136 225 1HB MET 42 1HB MET 42 -5.606 -6.952 12.659 226 2HB MET 42 2HB MET 42 -6.774 -7.758 11.631 227 1HG MET 42 1HG MET 42 -4.469 -8.253 10.215 228 2HG MET 42 2HG MET 42 -3.819 -8.182 11.841 229 1HE MET 42 1HE MET 42 -3.138 -10.510 12.273 230 2HE MET 42 2HE MET 42 -4.141 -9.961 13.638 231 3HE MET 42 3HE MET 42 -4.332 -11.612 13.000 232 H GLU 43 H GLU 43 -6.825 -4.221 9.278 233 HA GLU 43 HA GLU 43 -8.986 -5.913 8.381 234 1HB GLU 43 1HB GLU 43 -8.631 -2.958 7.768 235 2HB GLU 43 2HB GLU 43 -10.116 -3.888 7.764 236 1HG GLU 43 1HG GLU 43 -9.443 -4.330 10.330 237 2HG GLU 43 2HG GLU 43 -8.532 -2.849 10.113 238 H LYS 44 H LYS 44 -6.868 -6.989 7.223 239 HA LYS 44 HA LYS 44 -5.759 -5.802 5.004 240 1HB LYS 44 1HB LYS 44 -5.099 -7.959 6.151 241 2HB LYS 44 2HB LYS 44 -6.410 -8.745 5.296 242 1HG LYS 44 1HG LYS 44 -5.267 -7.533 3.172 243 2HG LYS 44 2HG LYS 44 -3.851 -7.589 4.203 244 1HD LYS 44 1HD LYS 44 -3.580 -9.695 3.348 245 2HD LYS 44 2HD LYS 44 -4.786 -10.150 4.536 246 1HE LYS 44 1HE LYS 44 -6.020 -10.913 2.779 247 2HE LYS 44 2HE LYS 44 -6.366 -9.230 2.432 248 1HZ LYS 44 1HZ LYS 44 -5.463 -9.950 0.490 249 2HZ LYS 44 2HZ LYS 44 -4.120 -9.362 1.208 250 3HZ LYS 44 3HZ LYS 44 -4.398 -10.971 1.190 251 H ARG 45 H ARG 45 -9.044 -6.671 5.585 252 HA ARG 45 HA ARG 45 -9.763 -7.362 2.991 253 1HB ARG 45 1HB ARG 45 -11.087 -6.760 5.540 254 2HB ARG 45 2HB ARG 45 -11.999 -6.085 4.204 255 1HG ARG 45 1HG ARG 45 -12.884 -8.183 4.011 256 2HG ARG 45 2HG ARG 45 -11.387 -8.573 3.187 257 1HD ARG 45 1HD ARG 45 -10.520 -9.741 5.000 258 2HD ARG 45 2HD ARG 45 -11.301 -8.709 6.182 259 HE ARG 45 HE ARG 45 -13.340 -10.138 4.785 260 1HH1 ARG 45 2HH2 ARG 45 -10.716 -10.750 7.048 261 2HH1 ARG 45 1HH2 ARG 45 -11.477 -12.136 7.754 262 1HH2 ARG 45 2HH1 ARG 45 -14.345 -11.967 5.716 263 2HH2 ARG 45 1HH1 ARG 45 -13.556 -12.833 6.992 264 H GLU 46 H GLU 46 -9.718 -4.232 4.808 265 HA GLU 46 HA GLU 46 -10.787 -2.800 2.610 266 1HB GLU 46 1HB GLU 46 -10.523 -0.846 4.001 267 2HB GLU 46 2HB GLU 46 -11.055 -2.153 5.040 268 1HG GLU 46 1HG GLU 46 -9.260 -1.705 6.356 269 2HG GLU 46 2HG GLU 46 -8.258 -2.393 5.094 270 H VAL 47 H VAL 47 -7.557 -3.648 3.839 271 HA VAL 47 HA VAL 47 -6.213 -1.740 2.179 272 HB VAL 47 HB VAL 47 -4.317 -2.418 3.238 273 1HG1 VAL 47 1HG1 VAL 47 -6.087 -3.666 5.313 274 2HG1 VAL 47 2HG1 VAL 47 -4.771 -2.482 5.496 275 3HG1 VAL 47 3HG1 VAL 47 -6.352 -1.964 4.864 276 1HG2 VAL 47 1HG2 VAL 47 -3.932 -4.591 2.535 277 2HG2 VAL 47 2HG2 VAL 47 -4.190 -4.823 4.280 278 3HG2 VAL 47 3HG2 VAL 47 -5.502 -5.179 3.132 279 H ASN 48 H ASN 48 -7.476 -5.018 1.896 280 HA ASN 48 HA ASN 48 -5.798 -5.756 -0.239 281 1HB ASN 48 1HB ASN 48 -6.852 -7.533 1.011 282 2HB ASN 48 2HB ASN 48 -8.439 -6.803 0.870 283 1HD2 ASN 48 1HD2 ASN 48 -9.064 -8.922 0.128 284 2HD2 ASN 48 2HD2 ASN 48 -8.880 -9.360 -1.538 285 H LYS 49 H LYS 49 -9.237 -4.614 0.104 286 HA LYS 49 HA LYS 49 -9.732 -4.579 -2.678 287 1HB LYS 49 1HB LYS 49 -11.166 -4.078 -0.218 288 2HB LYS 49 2HB LYS 49 -11.502 -2.804 -1.373 289 1HG LYS 49 1HG LYS 49 -12.043 -4.533 -3.110 290 2HG LYS 49 2HG LYS 49 -11.728 -5.799 -1.940 291 1HD LYS 49 1HD LYS 49 -13.530 -4.084 -0.611 292 2HD LYS 49 2HD LYS 49 -14.118 -4.112 -2.261 293 1HE LYS 49 1HE LYS 49 -15.055 -6.136 -1.851 294 2HE LYS 49 2HE LYS 49 -13.448 -6.811 -1.675 295 1HZ LYS 49 1HZ LYS 49 -14.276 -5.388 0.632 296 2HZ LYS 49 2HZ LYS 49 -15.294 -6.613 0.275 297 3HZ LYS 49 3HZ LYS 49 -13.705 -6.912 0.504 298 H ALA 50 H ALA 50 -8.362 -2.282 -0.325 299 HA ALA 50 HA ALA 50 -8.560 -0.042 -2.074 300 1HB ALA 50 1HB ALA 50 -7.162 1.046 -0.363 301 2HB ALA 50 2HB ALA 50 -8.491 0.136 0.396 302 3HB ALA 50 3HB ALA 50 -6.841 -0.533 0.393 303 H LEU 51 H LEU 51 -6.129 -2.574 -1.327 304 HA LEU 51 HA LEU 51 -4.085 -1.310 -2.856 305 1HB LEU 51 1HB LEU 51 -4.437 -3.992 -1.550 306 2HB LEU 51 2HB LEU 51 -3.080 -3.683 -2.616 307 HG LEU 51 HG LEU 51 -3.703 -1.995 -0.181 308 1HD1 LEU 51 1HD1 LEU 51 -3.272 -4.141 0.702 309 2HD1 LEU 51 2HD1 LEU 51 -1.956 -4.444 -0.457 310 3HD1 LEU 51 3HD1 LEU 51 -1.742 -3.242 0.839 311 1HD2 LEU 51 1HD2 LEU 51 -0.993 -1.847 -0.735 312 2HD2 LEU 51 2HD2 LEU 51 -1.754 -1.824 -2.344 313 3HD2 LEU 51 3HD2 LEU 51 -2.224 -0.619 -1.120 314 H TYR 52 H TYR 52 -6.710 -3.648 -3.452 315 HA TYR 52 HA TYR 52 -5.748 -4.571 -5.932 316 1HB TYR 52 1HB TYR 52 -7.482 -5.844 -4.885 317 2HB TYR 52 2HB TYR 52 -8.314 -4.411 -4.318 318 HD1 TYR 52 1HD TYR 52 -9.919 -3.235 -5.741 319 HD2 TYR 52 2HD TYR 52 -7.864 -6.714 -7.149 320 HE1 TYR 52 1HE TYR 52 -11.566 -3.437 -7.667 321 HE2 TYR 52 2HE TYR 52 -9.518 -6.904 -9.070 322 HH TYR 52 HH TYR 52 -11.213 -6.028 -10.076 323 H ASP 53 H ASP 53 -7.988 -1.895 -4.981 324 HA ASP 53 HA ASP 53 -8.624 -1.240 -7.619 325 1HB ASP 53 1HB ASP 53 -9.488 -0.487 -5.094 326 2HB ASP 53 2HB ASP 53 -8.638 0.957 -5.607 327 H LEU 54 H LEU 54 -6.145 -0.172 -5.228 328 HA LEU 54 HA LEU 54 -5.188 1.989 -6.788 329 1HB LEU 54 1HB LEU 54 -4.197 0.480 -4.388 330 2HB LEU 54 2HB LEU 54 -3.182 1.668 -5.181 331 HG LEU 54 HG LEU 54 -5.760 2.078 -3.686 332 1HD1 LEU 54 1HD1 LEU 54 -3.291 2.214 -2.766 333 2HD1 LEU 54 2HD1 LEU 54 -3.350 3.838 -3.491 334 3HD1 LEU 54 3HD1 LEU 54 -4.538 3.374 -2.250 335 1HD2 LEU 54 1HD2 LEU 54 -5.425 4.552 -4.538 336 2HD2 LEU 54 2HD2 LEU 54 -4.699 3.732 -5.941 337 3HD2 LEU 54 3HD2 LEU 54 -6.378 3.372 -5.470 338 H GLN 55 H GLN 55 -4.679 -1.503 -6.755 339 HA GLN 55 HA GLN 55 -2.246 -1.302 -8.230 340 1HB GLN 55 1HB GLN 55 -2.796 -3.163 -6.595 341 2HB GLN 55 2HB GLN 55 -3.990 -3.753 -7.733 342 1HG GLN 55 1HG GLN 55 -2.308 -4.228 -9.407 343 2HG GLN 55 2HG GLN 55 -1.082 -3.327 -8.537 344 1HE2 GLN 55 1HE2 GLN 55 0.340 -4.985 -8.338 345 2HE2 GLN 55 2HE2 GLN 55 0.096 -6.375 -7.335 346 H ARG 56 H ARG 56 -5.719 -1.629 -8.864 347 HA ARG 56 HA ARG 56 -5.301 -2.469 -11.547 348 1HB ARG 56 1HB ARG 56 -7.626 -1.921 -9.750 349 2HB ARG 56 2HB ARG 56 -7.929 -1.608 -11.447 350 1HG ARG 56 1HG ARG 56 -8.517 -3.931 -10.967 351 2HG ARG 56 2HG ARG 56 -7.108 -3.915 -12.008 352 1HD ARG 56 1HD ARG 56 -5.912 -3.864 -9.513 353 2HD ARG 56 2HD ARG 56 -7.354 -4.800 -9.171 354 HE ARG 56 HE ARG 56 -5.072 -5.715 -10.646 355 1HH1 ARG 56 2HH2 ARG 56 -8.586 -5.876 -10.717 356 2HH1 ARG 56 1HH2 ARG 56 -8.627 -7.399 -11.542 357 1HH2 ARG 56 2HH1 ARG 56 -5.125 -7.724 -11.734 358 2HH2 ARG 56 1HH1 ARG 56 -6.645 -8.457 -12.124 359 H SER 57 H SER 57 -5.539 0.545 -9.751 360 HA SER 57 HA SER 57 -6.258 2.070 -12.062 361 1HB SER 57 1HB SER 57 -5.627 3.991 -10.329 362 2HB SER 57 2HB SER 57 -7.129 3.100 -10.179 363 HG SER 57 HG SER 57 -4.742 2.908 -8.616 364 H ALA 58 H ALA 58 -3.357 1.168 -10.184 365 HA ALA 58 HA ALA 58 -1.231 1.137 -10.952 366 1HB ALA 58 1HB ALA 58 -2.428 1.700 -13.289 367 2HB ALA 58 2HB ALA 58 -1.656 3.278 -13.002 368 3HB ALA 58 3HB ALA 58 -0.664 1.803 -13.080 369 H MET 59 H MET 59 -2.838 3.032 -9.113 370 HA MET 59 HA MET 59 -1.415 5.471 -9.218 371 1HB MET 59 1HB MET 59 -3.047 4.202 -6.948 372 2HB MET 59 2HB MET 59 -2.614 5.897 -7.054 373 1HG MET 59 1HG MET 59 -3.989 4.848 -9.478 374 2HG MET 59 2HG MET 59 -4.970 4.801 -8.027 375 1HE MET 59 1HE MET 59 -2.858 6.869 -10.436 376 2HE MET 59 2HE MET 59 -3.050 8.550 -9.884 377 3HE MET 59 3HE MET 59 -2.058 7.412 -8.942 378 H VAL 60 H VAL 60 -0.972 2.324 -7.643 379 HA VAL 60 HA VAL 60 1.416 3.424 -6.327 380 HB VAL 60 HB VAL 60 1.093 1.866 -4.535 381 1HG1 VAL 60 1HG1 VAL 60 -0.404 4.100 -4.911 382 2HG1 VAL 60 2HG1 VAL 60 -1.686 2.888 -4.674 383 3HG1 VAL 60 3HG1 VAL 60 -0.436 3.117 -3.428 384 1HG2 VAL 60 1HG2 VAL 60 -1.222 0.841 -6.192 385 2HG2 VAL 60 2HG2 VAL 60 0.177 -0.059 -5.558 386 3HG2 VAL 60 3HG2 VAL 60 -1.083 0.526 -4.445 387 H TYR 61 H TYR 61 2.286 0.717 -5.537 388 HA TYR 61 HA TYR 61 2.419 -0.964 -7.781 389 1HB TYR 61 1HB TYR 61 3.804 1.189 -8.403 390 2HB TYR 61 2HB TYR 61 4.917 0.713 -7.136 391 HD1 TYR 61 1HD TYR 61 6.871 0.270 -8.396 392 HD2 TYR 61 2HD TYR 61 3.175 -1.573 -9.511 393 HE1 TYR 61 1HE TYR 61 8.104 -1.221 -10.045 394 HE2 TYR 61 2HE TYR 61 4.420 -3.058 -11.157 395 HH TYR 61 HH TYR 61 6.501 -3.868 -11.628 396 H SER 62 H SER 62 4.761 -2.307 -7.460 397 HA SER 62 HA SER 62 4.743 -2.900 -4.603 398 1HB SER 62 1HB SER 62 3.715 -4.678 -6.051 399 2HB SER 62 2HB SER 62 5.231 -4.829 -6.916 400 HG SER 62 HG SER 62 5.364 -6.412 -5.374 401 H SER 63 H SER 63 6.889 -4.124 -3.945 402 HA SER 63 HA SER 63 9.014 -2.453 -4.890 403 1HB SER 63 1HB SER 63 8.994 -2.721 -2.533 404 2HB SER 63 2HB SER 63 8.684 -4.443 -2.632 405 HG SER 63 HG SER 63 10.813 -4.543 -2.282 406 H ASP 64 H ASP 64 7.847 -5.796 -5.176 407 HA ASP 64 HA ASP 64 8.366 -7.286 -6.709 408 1HB ASP 64 1HB ASP 64 9.633 -5.156 -7.842 409 2HB ASP 64 2HB ASP 64 11.039 -6.118 -7.432 410 H ASP 65 H ASP 65 9.291 -7.042 -3.849 411 HA ASP 65 HA ASP 65 11.201 -9.168 -3.959 412 1HB ASP 65 1HB ASP 65 12.170 -6.568 -3.646 413 2HB ASP 65 2HB ASP 65 12.003 -7.103 -1.985 414 H ILE 66 H ILE 66 11.671 -9.834 -1.473 415 HA ILE 66 HA ILE 66 9.110 -9.557 -0.073 416 HB ILE 66 HB ILE 66 9.310 -11.787 -0.423 417 1HG1 ILE 66 1HG1 ILE 66 11.059 -12.129 1.916 418 2HG1 ILE 66 2HG1 ILE 66 9.782 -10.955 2.166 419 1HG2 ILE 66 1HG2 ILE 66 11.565 -13.000 -0.256 420 2HG2 ILE 66 2HG2 ILE 66 11.279 -11.961 -1.672 421 3HG2 ILE 66 3HG2 ILE 66 12.295 -11.379 -0.332 422 1HD1 ILE 66 1HD1 ILE 66 8.115 -12.650 1.295 423 2HD1 ILE 66 2HD1 ILE 66 9.438 -13.838 1.228 424 3HD1 ILE 66 3HD1 ILE 66 8.937 -13.153 2.792 425 HA PRO 67 HA PRO 67 8.344 -9.736 1.636 426 1HB PRO 67 1HB PRO 67 7.095 -7.959 3.295 427 2HB PRO 67 2HB PRO 67 7.780 -9.473 3.853 428 1HG PRO 67 1HG PRO 67 8.829 -6.729 4.185 429 2HG PRO 67 2HG PRO 67 9.249 -8.180 5.073 430 1HD PRO 67 1HD PRO 67 10.795 -6.923 3.011 431 2HD PRO 67 2HD PRO 67 11.158 -8.436 3.817 432 HA PRO 68 HA PRO 68 6.645 -7.126 -1.245 433 1HB PRO 68 1HB PRO 68 3.957 -7.595 -1.093 434 2HB PRO 68 2HB PRO 68 5.071 -8.662 -1.926 435 1HG PRO 68 1HG PRO 68 3.753 -9.037 0.694 436 2HG PRO 68 2HG PRO 68 4.511 -10.236 -0.336 437 1HD PRO 68 1HD PRO 68 5.606 -9.088 2.054 438 2HD PRO 68 2HD PRO 68 6.409 -10.199 0.961 439 H ARG 69 H ARG 69 6.863 -4.987 -1.159 440 HA ARG 69 HA ARG 69 5.124 -3.747 0.821 441 1HB ARG 69 1HB ARG 69 7.770 -2.639 -0.242 442 2HB ARG 69 2HB ARG 69 6.811 -1.965 1.061 443 1HG ARG 69 1HG ARG 69 7.774 -3.352 2.578 444 2HG ARG 69 2HG ARG 69 7.352 -4.765 1.631 445 1HD ARG 69 1HD ARG 69 9.577 -5.018 1.223 446 2HD ARG 69 2HD ARG 69 9.455 -3.631 0.160 447 HE ARG 69 HE ARG 69 10.728 -2.455 1.710 448 1HH1 ARG 69 2HH2 ARG 69 8.918 -4.936 3.427 449 2HH1 ARG 69 1HH2 ARG 69 9.587 -4.534 4.974 450 1HH2 ARG 69 2HH1 ARG 69 11.611 -1.924 3.750 451 2HH2 ARG 69 1HH1 ARG 69 11.129 -2.809 5.158 452 H TRP 70 H TRP 70 3.660 -2.230 0.039 453 HA TRP 70 HA TRP 70 3.510 -1.867 -2.790 454 1HB TRP 70 1HB TRP 70 1.893 -0.705 -0.515 455 2HB TRP 70 2HB TRP 70 1.531 -0.483 -2.215 456 HD1 TRP 70 HD TRP 70 1.662 -3.346 0.410 457 HE1 TRP 70 1HE TRP 70 0.080 -5.337 -0.295 458 HE3 TRP 70 3HE TRP 70 0.421 -1.442 -4.139 459 HZ2 TRP 70 2HZ TRP 70 -1.478 -5.880 -2.624 460 HZ3 TRP 70 3HZ TRP 70 -1.136 -2.765 -5.566 461 HH2 TRP 70 HH TRP 70 -2.077 -4.912 -4.875 462 H PHE 71 H PHE 71 4.627 -0.337 -3.921 463 HA PHE 71 HA PHE 71 5.557 1.996 -2.401 464 1HB PHE 71 1HB PHE 71 6.643 0.235 -4.633 465 2HB PHE 71 2HB PHE 71 7.148 1.913 -4.610 466 HD1 PHE 71 1HD PHE 71 6.483 0.452 -1.381 467 HD2 PHE 71 2HD PHE 71 9.465 0.999 -4.350 468 HE1 PHE 71 1HE PHE 71 8.260 -0.106 0.301 469 HE2 PHE 71 2HE PHE 71 11.242 0.440 -2.668 470 HZ PHE 71 HZ PHE 71 10.619 -0.105 -0.363 471 H MET 72 H MET 72 6.287 3.717 -4.395 472 HA MET 72 HA MET 72 3.740 4.128 -5.756 473 1HB MET 72 1HB MET 72 4.466 5.844 -4.022 474 2HB MET 72 2HB MET 72 5.909 6.153 -4.968 475 1HG MET 72 1HG MET 72 4.311 6.697 -6.945 476 2HG MET 72 2HG MET 72 3.018 6.704 -5.763 477 1HE MET 72 1HE MET 72 6.567 9.538 -6.115 478 2HE MET 72 2HE MET 72 6.850 8.158 -5.027 479 3HE MET 72 3HE MET 72 6.411 7.875 -6.728 480 H THR 73 H THR 73 4.639 2.599 -7.449 481 HA THR 73 HA THR 73 5.884 2.121 -9.273 482 HB THR 73 HB THR 73 4.040 3.393 -10.207 483 HG1 THR 73 1HG THR 73 5.859 3.080 -11.653 484 1HG2 THR 73 1HG2 THR 73 5.697 5.846 -9.419 485 2HG2 THR 73 2HG2 THR 73 4.311 5.905 -10.535 486 3HG2 THR 73 3HG2 THR 73 4.067 5.433 -8.836 487 H THR 74 H THR 74 7.895 2.024 -7.932 488 HA THR 74 HA THR 74 9.871 3.699 -9.200 489 HB THR 74 HB THR 74 8.941 4.969 -7.133 490 HG1 THR 74 1HG THR 74 11.030 5.462 -7.978 491 1HG2 THR 74 1HG2 THR 74 10.817 3.458 -5.415 492 2HG2 THR 74 2HG2 THR 74 9.198 4.090 -5.028 493 3HG2 THR 74 3HG2 THR 74 9.368 2.514 -5.838 Start of MODEL 18 1 H ARG 13 H ARG 13 -11.040 8.807 -2.434 2 HA ARG 13 HA ARG 13 -10.812 10.784 -1.504 3 1HB ARG 13 1HB ARG 13 -13.034 11.376 -2.973 4 2HB ARG 13 2HB ARG 13 -13.736 11.482 -1.370 5 1HG ARG 13 1HG ARG 13 -12.966 13.676 -1.677 6 2HG ARG 13 2HG ARG 13 -11.626 12.963 -0.801 7 1HD ARG 13 1HD ARG 13 -10.226 13.413 -2.530 8 2HD ARG 13 2HD ARG 13 -11.201 12.428 -3.603 9 HE ARG 13 HE ARG 13 -12.122 14.378 -4.501 10 1HH1 ARG 13 2HH2 ARG 13 -10.735 15.124 -1.354 11 2HH1 ARG 13 1HH2 ARG 13 -11.004 16.829 -1.496 12 1HH2 ARG 13 2HH1 ARG 13 -12.478 16.628 -4.689 13 2HH2 ARG 13 1HH1 ARG 13 -12.003 17.690 -3.407 14 H SER 14 H SER 14 -10.357 9.212 0.294 15 HA SER 14 HA SER 14 -11.635 9.947 2.609 16 1HB SER 14 1HB SER 14 -13.551 8.617 1.791 17 2HB SER 14 2HB SER 14 -12.519 7.219 1.568 18 HG SER 14 HG SER 14 -13.010 8.528 4.108 19 H ASN 15 H ASN 15 -10.328 6.897 1.098 20 HA ASN 15 HA ASN 15 -8.361 6.882 3.246 21 1HB ASN 15 1HB ASN 15 -8.127 4.393 2.130 22 2HB ASN 15 2HB ASN 15 -9.239 4.747 3.437 23 1HD2 ASN 15 1HD2 ASN 15 -8.867 3.741 0.228 24 2HD2 ASN 15 2HD2 ASN 15 -10.530 3.664 -0.252 25 H ALA 16 H ALA 16 -8.889 6.029 -0.261 26 HA ALA 16 HA ALA 16 -6.369 5.587 -1.091 27 1HB ALA 16 1HB ALA 16 -8.604 7.140 -2.450 28 2HB ALA 16 2HB ALA 16 -7.147 6.554 -3.287 29 3HB ALA 16 3HB ALA 16 -8.282 5.393 -2.558 30 H GLU 17 H GLU 17 -7.818 8.691 -0.112 31 HA GLU 17 HA GLU 17 -5.765 10.264 -1.203 32 1HB GLU 17 1HB GLU 17 -6.762 12.085 0.101 33 2HB GLU 17 2HB GLU 17 -8.027 11.136 -0.654 34 1HG GLU 17 1HG GLU 17 -8.275 9.838 1.513 35 2HG GLU 17 2HG GLU 17 -7.103 10.913 2.249 36 H ILE 18 H ILE 18 -6.430 8.900 2.081 37 HA ILE 18 HA ILE 18 -4.085 10.061 3.201 38 HB ILE 18 HB ILE 18 -6.170 8.108 4.095 39 1HG1 ILE 18 1HG1 ILE 18 -5.259 10.647 5.445 40 2HG1 ILE 18 2HG1 ILE 18 -6.380 10.688 4.098 41 1HG2 ILE 18 1HG2 ILE 18 -4.837 8.289 6.362 42 2HG2 ILE 18 2HG2 ILE 18 -4.454 7.030 5.163 43 3HG2 ILE 18 3HG2 ILE 18 -3.446 8.494 5.270 44 1HD1 ILE 18 1HD1 ILE 18 -6.909 10.034 6.868 45 2HD1 ILE 18 2HD1 ILE 18 -8.067 10.214 5.528 46 3HD1 ILE 18 3HD1 ILE 18 -7.317 8.632 5.849 47 H VAL 19 H VAL 19 -4.934 7.034 1.537 48 HA VAL 19 HA VAL 19 -2.659 5.588 2.344 49 HB VAL 19 HB VAL 19 -4.320 5.319 -0.169 50 1HG1 VAL 19 1HG1 VAL 19 -2.742 3.220 1.355 51 2HG1 VAL 19 2HG1 VAL 19 -3.621 3.005 -0.178 52 3HG1 VAL 19 3HG1 VAL 19 -2.175 4.042 -0.118 53 1HG2 VAL 19 1HG2 VAL 19 -5.350 5.290 2.347 54 2HG2 VAL 19 2HG2 VAL 19 -5.997 4.337 0.990 55 3HG2 VAL 19 3HG2 VAL 19 -4.891 3.580 2.161 56 H CYS 20 H CYS 20 -3.372 7.822 -0.387 57 HA CYS 20 HA CYS 20 -0.929 7.341 -1.699 58 1HB CYS 20 1HB CYS 20 -3.146 9.326 -1.939 59 2HB CYS 20 2HB CYS 20 -1.602 9.763 -2.643 60 HG CYS 20 HG CYS 20 -3.120 8.743 -4.506 61 H GLU 21 H GLU 21 -2.143 9.761 0.697 62 HA GLU 21 HA GLU 21 0.167 11.312 0.688 63 1HB GLU 21 1HB GLU 21 -2.354 11.198 2.116 64 2HB GLU 21 2HB GLU 21 -1.059 11.470 3.266 65 1HG GLU 21 1HG GLU 21 -0.281 13.434 2.062 66 2HG GLU 21 2HG GLU 21 -1.313 13.081 0.690 67 H ALA 22 H ALA 22 -0.668 8.238 2.201 68 HA ALA 22 HA ALA 22 1.395 8.384 4.184 69 1HB ALA 22 1HB ALA 22 -0.507 7.085 4.749 70 2HB ALA 22 2HB ALA 22 -0.511 6.252 3.176 71 3HB ALA 22 3HB ALA 22 0.757 5.890 4.372 72 H ILE 23 H ILE 23 0.852 6.305 1.244 73 HA ILE 23 HA ILE 23 3.343 5.162 1.198 74 HB ILE 23 HB ILE 23 1.296 4.595 -0.148 75 1HG1 ILE 23 1HG1 ILE 23 3.958 4.734 -1.594 76 2HG1 ILE 23 2HG1 ILE 23 3.466 3.489 -0.464 77 1HG2 ILE 23 1HG2 ILE 23 0.486 5.948 -1.709 78 2HG2 ILE 23 2HG2 ILE 23 1.645 7.184 -1.164 79 3HG2 ILE 23 3HG2 ILE 23 2.076 6.087 -2.497 80 1HD1 ILE 23 1HD1 ILE 23 3.123 3.264 -3.150 81 2HD1 ILE 23 2HD1 ILE 23 2.048 2.473 -1.972 82 3HD1 ILE 23 3HD1 ILE 23 1.569 4.017 -2.718 83 H LYS 24 H LYS 24 2.320 8.434 0.284 84 HA LYS 24 HA LYS 24 4.696 9.014 -1.173 85 1HB LYS 24 1HB LYS 24 2.269 10.486 -0.266 86 2HB LYS 24 2HB LYS 24 3.703 11.444 -0.578 87 1HG LYS 24 1HG LYS 24 3.674 9.712 -2.762 88 2HG LYS 24 2HG LYS 24 1.965 9.975 -2.482 89 1HD LYS 24 1HD LYS 24 2.227 12.395 -2.654 90 2HD LYS 24 2HD LYS 24 3.974 12.264 -2.655 91 1HE LYS 24 1HE LYS 24 3.262 10.609 -4.785 92 2HE LYS 24 2HE LYS 24 2.056 11.877 -4.884 93 1HZ LYS 24 1HZ LYS 24 4.914 12.056 -5.223 94 2HZ LYS 24 2HZ LYS 24 3.720 12.863 -5.993 95 3HZ LYS 24 3HZ LYS 24 4.194 13.332 -4.502 96 H THR 25 H THR 25 3.460 9.865 2.134 97 HA THR 25 HA THR 25 5.662 11.284 2.987 98 HB THR 25 HB THR 25 3.458 9.649 4.252 99 HG1 THR 25 1HG THR 25 3.069 11.847 5.009 100 1HG2 THR 25 1HG2 THR 25 5.496 9.262 5.717 101 2HG2 THR 25 2HG2 THR 25 5.704 11.027 5.813 102 3HG2 THR 25 3HG2 THR 25 4.252 10.263 6.502 103 H ILE 26 H ILE 26 5.283 7.793 2.523 104 HA ILE 26 HA ILE 26 7.548 7.112 4.095 105 HB ILE 26 HB ILE 26 6.038 5.606 1.957 106 1HG1 ILE 26 1HG1 ILE 26 5.851 5.088 4.910 107 2HG1 ILE 26 2HG1 ILE 26 4.931 6.404 4.208 108 1HG2 ILE 26 1HG2 ILE 26 8.122 4.542 2.052 109 2HG2 ILE 26 2HG2 ILE 26 8.262 4.765 3.813 110 3HG2 ILE 26 3HG2 ILE 26 7.089 3.599 3.154 111 1HD1 ILE 26 1HD1 ILE 26 4.569 4.205 2.440 112 2HD1 ILE 26 2HD1 ILE 26 4.408 3.548 4.086 113 3HD1 ILE 26 3HD1 ILE 26 3.372 4.897 3.561 114 H GLY 27 H GLY 27 7.536 5.895 0.796 115 1HA GLY 27 1HA GLY 27 8.834 7.237 -0.902 116 2HA GLY 27 2HA GLY 27 10.074 7.337 0.333 117 H ILE 28 H ILE 28 10.661 5.063 1.373 118 HA ILE 28 HA ILE 28 10.829 3.150 -0.851 119 HB ILE 28 HB ILE 28 13.008 2.732 -0.401 120 1HG1 ILE 28 1HG1 ILE 28 13.919 3.598 1.994 121 2HG1 ILE 28 2HG1 ILE 28 12.256 3.251 2.427 122 1HG2 ILE 28 1HG2 ILE 28 12.688 5.583 0.577 123 2HG2 ILE 28 2HG2 ILE 28 14.209 4.839 0.029 124 3HG2 ILE 28 3HG2 ILE 28 12.859 5.048 -1.112 125 1HD1 ILE 28 1HD1 ILE 28 12.484 0.959 1.443 126 2HD1 ILE 28 2HD1 ILE 28 14.185 1.316 1.062 127 3HD1 ILE 28 3HD1 ILE 28 13.648 1.247 2.758 128 H GLU 29 H GLU 29 10.083 3.780 2.553 129 HA GLU 29 HA GLU 29 10.029 1.116 3.363 130 1HB GLU 29 1HB GLU 29 9.699 3.609 4.566 131 2HB GLU 29 2HB GLU 29 8.101 2.905 4.713 132 1HG GLU 29 1HG GLU 29 9.378 2.258 6.677 133 2HG GLU 29 2HG GLU 29 9.145 0.825 5.696 134 H GLY 30 H GLY 30 8.121 2.745 1.087 135 1HA GLY 30 1HA GLY 30 6.013 2.457 0.279 136 2HA GLY 30 2HA GLY 30 6.515 0.778 0.292 137 H ALA 31 H ALA 31 4.274 0.133 0.644 138 HA ALA 31 HA ALA 31 3.520 0.428 3.463 139 1HB ALA 31 1HB ALA 31 1.768 1.679 2.799 140 2HB ALA 31 2HB ALA 31 2.101 1.356 1.080 141 3HB ALA 31 3HB ALA 31 1.125 0.208 2.029 142 H THR 32 H THR 32 4.243 -1.629 4.052 143 HA THR 32 HA THR 32 3.603 -3.895 2.396 144 HB THR 32 HB THR 32 5.670 -3.347 4.031 145 HG1 THR 32 1HG THR 32 5.927 -5.396 3.242 146 1HG2 THR 32 1HG2 THR 32 4.395 -3.270 6.148 147 2HG2 THR 32 2HG2 THR 32 3.633 -4.834 5.772 148 3HG2 THR 32 3HG2 THR 32 5.378 -4.753 6.115 149 H ALA 33 H ALA 33 2.741 -5.915 3.817 150 HA ALA 33 HA ALA 33 0.018 -5.300 4.220 151 1HB ALA 33 1HB ALA 33 0.135 -7.756 5.163 152 2HB ALA 33 2HB ALA 33 0.425 -7.457 3.432 153 3HB ALA 33 3HB ALA 33 1.800 -7.713 4.534 154 H ALA 34 H ALA 34 2.402 -6.725 6.570 155 HA ALA 34 HA ALA 34 1.040 -6.480 8.844 156 1HB ALA 34 1HB ALA 34 3.710 -5.471 9.309 157 2HB ALA 34 2HB ALA 34 3.047 -7.088 9.649 158 3HB ALA 34 3HB ALA 34 3.757 -6.734 8.056 159 H GLN 35 H GLN 35 3.107 -3.804 7.495 160 HA GLN 35 HA GLN 35 2.705 -1.896 9.248 161 1HB GLN 35 1HB GLN 35 2.949 -1.927 6.281 162 2HB GLN 35 2HB GLN 35 2.327 -0.430 6.946 163 1HG GLN 35 1HG GLN 35 4.387 -0.873 8.691 164 2HG GLN 35 2HG GLN 35 5.033 -1.675 7.273 165 1HE2 GLN 35 1HE2 GLN 35 3.322 1.302 8.213 166 2HE2 GLN 35 2HE2 GLN 35 4.192 2.392 7.186 167 H LEU 36 H LEU 36 0.471 -2.074 6.379 168 HA LEU 36 HA LEU 36 -1.446 -0.399 7.366 169 1HB LEU 36 1HB LEU 36 -1.462 -2.672 5.420 170 2HB LEU 36 2HB LEU 36 -2.978 -1.917 5.871 171 HG LEU 36 HG LEU 36 -1.871 0.314 5.212 172 1HD1 LEU 36 1HD1 LEU 36 0.008 -1.552 3.740 173 2HD1 LEU 36 2HD1 LEU 36 -0.043 0.224 3.637 174 3HD1 LEU 36 3HD1 LEU 36 0.443 -0.566 5.156 175 1HD2 LEU 36 1HD2 LEU 36 -2.179 -0.390 2.669 176 2HD2 LEU 36 2HD2 LEU 36 -2.871 -1.849 3.418 177 3HD2 LEU 36 3HD2 LEU 36 -3.557 -0.249 3.787 178 H THR 37 H THR 37 -1.097 -3.961 7.857 179 HA THR 37 HA THR 37 -3.471 -4.335 9.265 180 HB THR 37 HB THR 37 -0.776 -5.768 9.543 181 HG1 THR 37 1HG THR 37 -1.522 -6.825 7.651 182 1HG2 THR 37 1HG2 THR 37 -3.143 -6.244 10.944 183 2HG2 THR 37 2HG2 THR 37 -3.331 -7.283 9.511 184 3HG2 THR 37 3HG2 THR 37 -1.917 -7.480 10.574 185 H ARG 38 H ARG 38 -0.637 -2.550 10.135 186 HA ARG 38 HA ARG 38 -1.252 -2.853 12.937 187 1HB ARG 38 1HB ARG 38 1.131 -2.321 11.420 188 2HB ARG 38 2HB ARG 38 0.841 -0.902 12.407 189 1HG ARG 38 1HG ARG 38 0.328 -3.070 14.146 190 2HG ARG 38 2HG ARG 38 1.725 -3.585 13.221 191 1HD ARG 38 1HD ARG 38 2.815 -2.392 14.893 192 2HD ARG 38 2HD ARG 38 2.579 -1.092 13.742 193 HE ARG 38 HE ARG 38 0.275 -1.323 15.475 194 1HH1 ARG 38 2HH2 ARG 38 3.597 -0.163 15.414 195 2HH1 ARG 38 1HH2 ARG 38 3.339 1.025 16.649 196 1HH2 ARG 38 2HH1 ARG 38 -0.065 0.243 17.103 197 2HH2 ARG 38 1HH1 ARG 38 1.242 1.257 17.616 198 H GLN 39 H GLN 39 -1.461 -0.571 10.214 199 HA GLN 39 HA GLN 39 -1.891 1.724 11.744 200 1HB GLN 39 1HB GLN 39 -2.165 0.914 8.889 201 2HB GLN 39 2HB GLN 39 -3.174 2.261 9.376 202 1HG GLN 39 1HG GLN 39 -0.976 3.062 8.559 203 2HG GLN 39 2HG GLN 39 -1.199 3.474 10.248 204 1HE2 GLN 39 1HE2 GLN 39 0.231 1.111 8.044 205 2HE2 GLN 39 2HE2 GLN 39 1.548 0.617 9.055 206 H LEU 40 H LEU 40 -3.947 -0.975 10.746 207 HA LEU 40 HA LEU 40 -6.270 0.468 11.813 208 1HB LEU 40 1HB LEU 40 -7.351 -1.640 10.539 209 2HB LEU 40 2HB LEU 40 -7.115 -0.056 9.827 210 HG LEU 40 HG LEU 40 -4.950 -2.127 9.585 211 1HD1 LEU 40 1HD1 LEU 40 -7.466 -2.815 8.845 212 2HD1 LEU 40 2HD1 LEU 40 -6.891 -2.020 7.360 213 3HD1 LEU 40 3HD1 LEU 40 -5.987 -3.393 8.042 214 1HD2 LEU 40 1HD2 LEU 40 -4.458 0.164 8.897 215 2HD2 LEU 40 2HD2 LEU 40 -4.469 -0.939 7.500 216 3HD2 LEU 40 3HD2 LEU 40 -5.852 0.143 7.790 217 H ASN 41 H ASN 41 -5.352 -3.018 11.398 218 HA ASN 41 HA ASN 41 -4.835 -3.532 14.017 219 1HB ASN 41 1HB ASN 41 -7.658 -3.089 13.593 220 2HB ASN 41 2HB ASN 41 -7.444 -4.804 13.883 221 1HD2 ASN 41 1HD2 ASN 41 -5.548 -2.050 15.068 222 2HD2 ASN 41 2HD2 ASN 41 -5.827 -2.293 16.760 223 H MET 42 H MET 42 -6.693 -4.612 11.103 224 HA MET 42 HA MET 42 -5.009 -6.473 10.229 225 1HB MET 42 1HB MET 42 -6.275 -7.383 12.699 226 2HB MET 42 2HB MET 42 -6.809 -8.412 11.385 227 1HG MET 42 1HG MET 42 -4.327 -8.634 10.709 228 2HG MET 42 2HG MET 42 -3.929 -7.846 12.223 229 1HE MET 42 1HE MET 42 -3.216 -9.128 14.064 230 2HE MET 42 2HE MET 42 -4.870 -8.837 14.652 231 3HE MET 42 3HE MET 42 -4.140 -10.452 14.813 232 H GLU 43 H GLU 43 -6.934 -4.654 9.236 233 HA GLU 43 HA GLU 43 -9.071 -6.362 8.278 234 1HB GLU 43 1HB GLU 43 -9.164 -3.803 9.214 235 2HB GLU 43 2HB GLU 43 -8.957 -3.473 7.505 236 1HG GLU 43 1HG GLU 43 -11.221 -3.738 7.372 237 2HG GLU 43 2HG GLU 43 -10.876 -5.456 7.416 238 H LYS 44 H LYS 44 -7.003 -7.417 7.120 239 HA LYS 44 HA LYS 44 -5.936 -6.039 4.910 240 1HB LYS 44 1HB LYS 44 -5.057 -8.107 6.216 241 2HB LYS 44 2HB LYS 44 -6.084 -9.040 5.147 242 1HG LYS 44 1HG LYS 44 -4.662 -8.776 3.388 243 2HG LYS 44 2HG LYS 44 -4.553 -7.045 3.637 244 1HD LYS 44 1HD LYS 44 -2.381 -7.514 4.207 245 2HD LYS 44 2HD LYS 44 -3.072 -7.896 5.772 246 1HE LYS 44 1HE LYS 44 -3.451 -10.303 4.585 247 2HE LYS 44 2HE LYS 44 -2.095 -9.759 3.618 248 1HZ LYS 44 1HZ LYS 44 -0.738 -10.046 5.321 249 2HZ LYS 44 2HZ LYS 44 -1.706 -9.269 6.383 250 3HZ LYS 44 3HZ LYS 44 -1.940 -10.856 6.074 251 H ARG 45 H ARG 45 -9.033 -7.424 5.535 252 HA ARG 45 HA ARG 45 -9.642 -8.364 3.011 253 1HB ARG 45 1HB ARG 45 -10.935 -8.484 5.333 254 2HB ARG 45 2HB ARG 45 -11.712 -7.015 4.777 255 1HG ARG 45 1HG ARG 45 -11.635 -9.085 2.676 256 2HG ARG 45 2HG ARG 45 -12.462 -9.644 4.117 257 1HD ARG 45 1HD ARG 45 -13.336 -6.941 3.620 258 2HD ARG 45 2HD ARG 45 -13.422 -7.807 2.099 259 HE ARG 45 HE ARG 45 -15.118 -8.227 4.410 260 1HH1 ARG 45 2HH2 ARG 45 -13.626 -9.904 1.700 261 2HH1 ARG 45 1HH2 ARG 45 -14.822 -11.156 1.652 262 1HH2 ARG 45 2HH1 ARG 45 -16.695 -9.879 4.347 263 2HH2 ARG 45 1HH1 ARG 45 -16.579 -11.142 3.168 264 H GLU 46 H GLU 46 -10.402 -5.168 4.589 265 HA GLU 46 HA GLU 46 -11.414 -4.100 2.187 266 1HB GLU 46 1HB GLU 46 -11.835 -2.146 3.439 267 2HB GLU 46 2HB GLU 46 -11.942 -3.420 4.638 268 1HG GLU 46 1HG GLU 46 -10.559 -1.841 5.709 269 2HG GLU 46 2HG GLU 46 -9.393 -2.970 5.051 270 H VAL 47 H VAL 47 -8.258 -4.055 3.888 271 HA VAL 47 HA VAL 47 -7.107 -2.052 2.264 272 HB VAL 47 HB VAL 47 -6.453 -3.565 4.541 273 1HG1 VAL 47 1HG1 VAL 47 -4.211 -4.371 4.140 274 2HG1 VAL 47 2HG1 VAL 47 -5.318 -5.156 2.988 275 3HG1 VAL 47 3HG1 VAL 47 -4.270 -3.822 2.448 276 1HG2 VAL 47 1HG2 VAL 47 -5.064 -1.341 3.029 277 2HG2 VAL 47 2HG2 VAL 47 -6.091 -1.223 4.478 278 3HG2 VAL 47 3HG2 VAL 47 -4.473 -1.957 4.591 279 H ASN 48 H ASN 48 -7.796 -5.474 1.854 280 HA ASN 48 HA ASN 48 -5.813 -5.918 -0.091 281 1HB ASN 48 1HB ASN 48 -8.223 -7.366 0.977 282 2HB ASN 48 2HB ASN 48 -7.709 -7.831 -0.632 283 1HD2 ASN 48 1HD2 ASN 48 -7.395 -9.869 0.615 284 2HD2 ASN 48 2HD2 ASN 48 -5.847 -10.165 1.333 285 H LYS 49 H LYS 49 -9.449 -5.583 -0.209 286 HA LYS 49 HA LYS 49 -9.662 -5.517 -2.973 287 1HB LYS 49 1HB LYS 49 -11.363 -4.944 -0.643 288 2HB LYS 49 2HB LYS 49 -11.785 -4.007 -2.062 289 1HG LYS 49 1HG LYS 49 -12.320 -5.899 -3.337 290 2HG LYS 49 2HG LYS 49 -11.223 -6.941 -2.454 291 1HD LYS 49 1HD LYS 49 -13.039 -7.695 -1.315 292 2HD LYS 49 2HD LYS 49 -13.044 -6.155 -0.479 293 1HE LYS 49 1HE LYS 49 -14.763 -5.270 -1.808 294 2HE LYS 49 2HE LYS 49 -14.363 -6.273 -3.188 295 1HZ LYS 49 1HZ LYS 49 -16.054 -6.857 -0.965 296 2HZ LYS 49 2HZ LYS 49 -16.069 -7.477 -2.476 297 3HZ LYS 49 3HZ LYS 49 -15.048 -8.084 -1.355 298 H ALA 50 H ALA 50 -8.712 -3.039 -0.617 299 HA ALA 50 HA ALA 50 -9.067 -0.860 -2.419 300 1HB ALA 50 1HB ALA 50 -9.176 -0.353 -0.109 301 2HB ALA 50 2HB ALA 50 -7.698 -1.276 0.253 302 3HB ALA 50 3HB ALA 50 -7.590 0.271 -0.622 303 H LEU 51 H LEU 51 -6.198 -2.706 -1.165 304 HA LEU 51 HA LEU 51 -4.285 -1.384 -2.639 305 1HB LEU 51 1HB LEU 51 -4.541 -3.942 -1.216 306 2HB LEU 51 2HB LEU 51 -3.343 -3.951 -2.495 307 HG LEU 51 HG LEU 51 -2.076 -2.221 -1.479 308 1HD1 LEU 51 1HD1 LEU 51 -4.588 -1.663 0.027 309 2HD1 LEU 51 2HD1 LEU 51 -3.036 -1.321 0.831 310 3HD1 LEU 51 3HD1 LEU 51 -3.423 -0.548 -0.725 311 1HD2 LEU 51 1HD2 LEU 51 -2.842 -3.667 1.012 312 2HD2 LEU 51 2HD2 LEU 51 -2.281 -4.634 -0.373 313 3HD2 LEU 51 3HD2 LEU 51 -1.238 -3.360 0.304 314 H TYR 52 H TYR 52 -6.311 -4.247 -3.525 315 HA TYR 52 HA TYR 52 -5.146 -4.726 -5.997 316 1HB TYR 52 1HB TYR 52 -7.945 -4.994 -4.761 317 2HB TYR 52 2HB TYR 52 -7.629 -5.598 -6.376 318 HD1 TYR 52 1HD TYR 52 -8.100 -6.724 -3.232 319 HD2 TYR 52 2HD TYR 52 -5.119 -6.948 -6.292 320 HE1 TYR 52 1HE TYR 52 -7.250 -8.911 -2.253 321 HE2 TYR 52 2HE TYR 52 -4.279 -9.134 -5.304 322 HH TYR 52 HH TYR 52 -5.995 -10.693 -2.658 323 H ASP 53 H ASP 53 -8.308 -3.027 -5.387 324 HA ASP 53 HA ASP 53 -8.806 -2.191 -7.855 325 1HB ASP 53 1HB ASP 53 -9.641 -1.498 -5.238 326 2HB ASP 53 2HB ASP 53 -9.202 0.031 -5.974 327 H LEU 54 H LEU 54 -6.660 -0.594 -5.401 328 HA LEU 54 HA LEU 54 -6.009 1.636 -6.956 329 1HB LEU 54 1HB LEU 54 -4.799 0.262 -4.584 330 2HB LEU 54 2HB LEU 54 -3.932 1.563 -5.376 331 HG LEU 54 HG LEU 54 -6.577 1.676 -3.931 332 1HD1 LEU 54 1HD1 LEU 54 -5.536 3.137 -2.454 333 2HD1 LEU 54 2HD1 LEU 54 -4.261 1.947 -2.810 334 3HD1 LEU 54 3HD1 LEU 54 -4.238 3.540 -3.603 335 1HD2 LEU 54 1HD2 LEU 54 -5.493 3.615 -5.970 336 2HD2 LEU 54 2HD2 LEU 54 -7.124 2.913 -5.840 337 3HD2 LEU 54 3HD2 LEU 54 -6.585 4.135 -4.663 338 H GLN 55 H GLN 55 -4.647 -1.676 -6.734 339 HA GLN 55 HA GLN 55 -2.339 -1.190 -8.149 340 1HB GLN 55 1HB GLN 55 -3.289 -3.332 -6.877 341 2HB GLN 55 2HB GLN 55 -3.828 -3.796 -8.478 342 1HG GLN 55 1HG GLN 55 -1.075 -2.821 -8.592 343 2HG GLN 55 2HG GLN 55 -1.215 -4.086 -7.387 344 1HE2 GLN 55 1HE2 GLN 55 0.264 -5.034 -9.075 345 2HE2 GLN 55 2HE2 GLN 55 -0.452 -6.004 -10.319 346 H ARG 56 H ARG 56 -5.664 -2.048 -9.270 347 HA ARG 56 HA ARG 56 -4.830 -2.147 -11.971 348 1HB ARG 56 1HB ARG 56 -7.503 -2.233 -10.530 349 2HB ARG 56 2HB ARG 56 -7.470 -2.059 -12.274 350 1HG ARG 56 1HG ARG 56 -7.591 -4.411 -11.929 351 2HG ARG 56 2HG ARG 56 -5.905 -4.123 -12.309 352 1HD ARG 56 1HD ARG 56 -5.210 -4.806 -10.242 353 2HD ARG 56 2HD ARG 56 -6.426 -3.847 -9.421 354 HE ARG 56 HE ARG 56 -6.581 -6.658 -9.925 355 1HH1 ARG 56 2HH2 ARG 56 -8.614 -3.788 -10.052 356 2HH1 ARG 56 1HH2 ARG 56 -10.083 -4.660 -9.767 357 1HH2 ARG 56 2HH1 ARG 56 -8.519 -7.809 -9.550 358 2HH2 ARG 56 1HH1 ARG 56 -10.029 -6.962 -9.479 359 H SER 57 H SER 57 -5.713 0.338 -9.706 360 HA SER 57 HA SER 57 -6.767 2.124 -11.647 361 1HB SER 57 1HB SER 57 -7.531 2.308 -9.348 362 2HB SER 57 2HB SER 57 -5.891 2.468 -8.751 363 HG SER 57 HG SER 57 -7.063 4.523 -8.911 364 H ALA 58 H ALA 58 -3.609 1.278 -10.291 365 HA ALA 58 HA ALA 58 -1.587 1.782 -11.137 366 1HB ALA 58 1HB ALA 58 -1.303 3.056 -13.062 367 2HB ALA 58 2HB ALA 58 -3.003 2.557 -13.233 368 3HB ALA 58 3HB ALA 58 -2.609 4.187 -12.635 369 H MET 59 H MET 59 -3.042 2.799 -8.726 370 HA MET 59 HA MET 59 -1.846 5.414 -8.419 371 1HB MET 59 1HB MET 59 -3.559 3.784 -6.463 372 2HB MET 59 2HB MET 59 -3.208 5.497 -6.344 373 1HG MET 59 1HG MET 59 -4.300 5.126 -8.953 374 2HG MET 59 2HG MET 59 -5.297 4.156 -7.887 375 1HE MET 59 1HE MET 59 -5.542 8.497 -8.569 376 2HE MET 59 2HE MET 59 -4.469 7.308 -9.345 377 3HE MET 59 3HE MET 59 -6.235 7.119 -9.457 378 H VAL 60 H VAL 60 -1.223 2.068 -7.730 379 HA VAL 60 HA VAL 60 1.073 2.872 -6.129 380 HB VAL 60 HB VAL 60 0.641 1.386 -4.375 381 1HG1 VAL 60 1HG1 VAL 60 -1.481 2.136 -3.435 382 2HG1 VAL 60 2HG1 VAL 60 -0.668 3.481 -4.271 383 3HG1 VAL 60 3HG1 VAL 60 -2.039 2.650 -5.046 384 1HG2 VAL 60 1HG2 VAL 60 -1.296 -0.176 -4.336 385 2HG2 VAL 60 2HG2 VAL 60 -1.655 0.272 -6.021 386 3HG2 VAL 60 3HG2 VAL 60 -0.125 -0.545 -5.624 387 H TYR 61 H TYR 61 1.982 0.239 -5.565 388 HA TYR 61 HA TYR 61 1.860 -1.391 -7.877 389 1HB TYR 61 1HB TYR 61 3.299 0.711 -8.499 390 2HB TYR 61 2HB TYR 61 4.442 0.177 -7.283 391 HD1 TYR 61 1HD TYR 61 6.357 -0.443 -8.477 392 HD2 TYR 61 2HD TYR 61 2.536 -1.853 -9.789 393 HE1 TYR 61 1HE TYR 61 7.489 -1.929 -10.202 394 HE2 TYR 61 2HE TYR 61 3.682 -3.334 -11.509 395 HH TYR 61 HH TYR 61 7.201 -3.595 -11.605 396 H SER 62 H SER 62 4.045 -2.923 -7.750 397 HA SER 62 HA SER 62 4.287 -3.543 -4.909 398 1HB SER 62 1HB SER 62 2.881 -5.135 -6.423 399 2HB SER 62 2HB SER 62 4.412 -5.621 -7.122 400 HG SER 62 HG SER 62 4.817 -5.725 -4.492 401 H SER 63 H SER 63 6.377 -4.340 -4.200 402 HA SER 63 HA SER 63 8.485 -3.365 -5.869 403 1HB SER 63 1HB SER 63 9.640 -3.124 -3.920 404 2HB SER 63 2HB SER 63 8.087 -3.392 -3.153 405 HG SER 63 HG SER 63 9.946 -4.774 -2.415 406 H ASP 64 H ASP 64 7.124 -6.460 -4.720 407 HA ASP 64 HA ASP 64 7.468 -8.520 -5.300 408 1HB ASP 64 1HB ASP 64 9.066 -7.306 -7.603 409 2HB ASP 64 2HB ASP 64 8.678 -9.011 -7.488 410 H ASP 65 H ASP 65 9.548 -6.754 -3.763 411 HA ASP 65 HA ASP 65 11.632 -8.772 -3.817 412 1HB ASP 65 1HB ASP 65 13.344 -6.963 -3.498 413 2HB ASP 65 2HB ASP 65 12.563 -6.897 -5.065 414 H ILE 66 H ILE 66 12.715 -8.989 -1.687 415 HA ILE 66 HA ILE 66 10.983 -8.206 0.472 416 HB ILE 66 HB ILE 66 11.754 -10.420 0.531 417 1HG1 ILE 66 1HG1 ILE 66 13.243 -8.697 2.523 418 2HG1 ILE 66 2HG1 ILE 66 11.677 -9.460 2.719 419 1HG2 ILE 66 1HG2 ILE 66 14.514 -10.444 0.815 420 2HG2 ILE 66 2HG2 ILE 66 13.587 -10.934 -0.624 421 3HG2 ILE 66 3HG2 ILE 66 14.229 -9.278 -0.499 422 1HD1 ILE 66 1HD1 ILE 66 13.348 -11.608 2.047 423 2HD1 ILE 66 2HD1 ILE 66 14.363 -10.593 3.099 424 3HD1 ILE 66 3HD1 ILE 66 12.791 -11.189 3.684 425 HA PRO 67 HA PRO 67 10.855 -7.749 2.266 426 1HB PRO 67 1HB PRO 67 9.775 -5.611 3.582 427 2HB PRO 67 2HB PRO 67 10.964 -6.679 4.302 428 1HG PRO 67 1HG PRO 67 11.324 -3.934 3.266 429 2HG PRO 67 2HG PRO 67 12.358 -4.842 4.351 430 1HD PRO 67 1HD PRO 67 12.806 -4.356 1.560 431 2HD PRO 67 2HD PRO 67 13.777 -5.360 2.618 432 HA PRO 68 HA PRO 68 7.985 -6.760 -0.709 433 1HB PRO 68 1HB PRO 68 5.890 -8.325 0.085 434 2HB PRO 68 2HB PRO 68 7.239 -8.933 -0.854 435 1HG PRO 68 1HG PRO 68 6.654 -9.323 2.017 436 2HG PRO 68 2HG PRO 68 7.726 -10.243 0.981 437 1HD PRO 68 1HD PRO 68 8.489 -8.282 2.930 438 2HD PRO 68 2HD PRO 68 9.550 -9.117 1.813 439 H ARG 69 H ARG 69 6.264 -5.399 -1.217 440 HA ARG 69 HA ARG 69 4.398 -4.667 0.628 441 1HB ARG 69 1HB ARG 69 5.356 -2.224 1.018 442 2HB ARG 69 2HB ARG 69 5.869 -3.530 2.069 443 1HG ARG 69 1HG ARG 69 7.830 -3.883 0.390 444 2HG ARG 69 2HG ARG 69 7.386 -2.326 -0.280 445 1HD ARG 69 1HD ARG 69 9.121 -1.935 1.376 446 2HD ARG 69 2HD ARG 69 7.621 -1.315 2.036 447 HE ARG 69 HE ARG 69 7.886 -4.048 2.838 448 1HH1 ARG 69 2HH2 ARG 69 9.376 -0.915 3.430 449 2HH1 ARG 69 1HH2 ARG 69 9.897 -1.322 5.031 450 1HH2 ARG 69 2HH1 ARG 69 8.573 -4.585 4.950 451 2HH2 ARG 69 1HH1 ARG 69 9.437 -3.424 5.901 452 H TRP 70 H TRP 70 3.423 -2.324 -0.051 453 HA TRP 70 HA TRP 70 3.396 -2.370 -2.965 454 1HB TRP 70 1HB TRP 70 1.568 -0.933 -1.034 455 2HB TRP 70 2HB TRP 70 1.356 -1.075 -2.768 456 HD1 TRP 70 HD TRP 70 1.633 -3.568 0.244 457 HE1 TRP 70 1HE TRP 70 0.007 -5.616 -0.108 458 HE3 TRP 70 3HE TRP 70 -0.060 -2.113 -4.325 459 HZ2 TRP 70 2HZ TRP 70 -1.765 -6.381 -2.210 460 HZ3 TRP 70 3HZ TRP 70 -1.737 -3.568 -5.459 461 HH2 TRP 70 HH TRP 70 -2.588 -5.637 -4.474 462 H PHE 71 H PHE 71 4.412 -0.790 -4.149 463 HA PHE 71 HA PHE 71 5.375 1.533 -2.634 464 1HB PHE 71 1HB PHE 71 6.456 -0.259 -4.842 465 2HB PHE 71 2HB PHE 71 6.977 1.414 -4.837 466 HD1 PHE 71 1HD PHE 71 6.290 0.091 -1.572 467 HD2 PHE 71 2HD PHE 71 9.275 0.389 -4.575 468 HE1 PHE 71 1HE PHE 71 8.054 -0.463 0.125 469 HE2 PHE 71 2HE PHE 71 11.038 -0.165 -2.877 470 HZ PHE 71 HZ PHE 71 10.407 -0.584 -0.547 471 H MET 72 H MET 72 6.102 3.276 -4.567 472 HA MET 72 HA MET 72 3.556 3.768 -5.876 473 1HB MET 72 1HB MET 72 4.327 6.130 -5.946 474 2HB MET 72 2HB MET 72 4.489 5.512 -4.314 475 1HG MET 72 1HG MET 72 6.952 4.832 -5.387 476 2HG MET 72 2HG MET 72 6.606 6.317 -6.251 477 1HE MET 72 1HE MET 72 6.102 5.919 -1.761 478 2HE MET 72 2HE MET 72 5.891 4.678 -3.019 479 3HE MET 72 3HE MET 72 7.512 5.018 -2.367 480 H THR 73 H THR 73 4.237 2.060 -7.523 481 HA THR 73 HA THR 73 5.353 1.392 -9.380 482 HB THR 73 HB THR 73 3.469 2.613 -10.281 483 HG1 THR 73 1HG THR 73 5.909 3.782 -11.407 484 1HG2 THR 73 1HG2 THR 73 3.758 4.741 -8.953 485 2HG2 THR 73 2HG2 THR 73 5.172 5.140 -9.958 486 3HG2 THR 73 3HG2 THR 73 3.553 5.056 -10.693 487 H THR 74 H THR 74 7.499 1.110 -8.680 488 HA THR 74 HA THR 74 9.279 3.189 -9.731 489 HB THR 74 HB THR 74 10.714 2.613 -7.610 490 HG1 THR 74 1HG THR 74 9.384 0.826 -6.920 491 1HG2 THR 74 1HG2 THR 74 8.378 3.876 -6.400 492 2HG2 THR 74 2HG2 THR 74 9.951 4.608 -6.798 493 3HG2 THR 74 3HG2 THR 74 8.658 4.557 -8.020 Start of MODEL 19 1 H ARG 13 H ARG 13 -10.852 7.811 -3.105 2 HA ARG 13 HA ARG 13 -11.534 9.174 -1.543 3 1HB ARG 13 1HB ARG 13 -13.401 9.065 -3.515 4 2HB ARG 13 2HB ARG 13 -14.424 8.593 -2.172 5 1HG ARG 13 1HG ARG 13 -14.579 10.990 -2.319 6 2HG ARG 13 2HG ARG 13 -13.588 10.652 -0.913 7 1HD ARG 13 1HD ARG 13 -11.636 11.440 -1.915 8 2HD ARG 13 2HD ARG 13 -12.136 10.965 -3.526 9 HE ARG 13 HE ARG 13 -12.577 13.537 -2.299 10 1HH1 ARG 13 2HH2 ARG 13 -14.110 11.213 -4.451 11 2HH1 ARG 13 1HH2 ARG 13 -15.055 12.407 -5.276 12 1HH2 ARG 13 2HH1 ARG 13 -13.823 15.113 -3.388 13 2HH2 ARG 13 1HH1 ARG 13 -14.890 14.641 -4.667 14 H SER 14 H SER 14 -10.839 7.432 0.117 15 HA SER 14 HA SER 14 -12.783 7.306 2.101 16 1HB SER 14 1HB SER 14 -13.850 5.494 1.002 17 2HB SER 14 2HB SER 14 -12.333 4.789 0.478 18 HG SER 14 HG SER 14 -13.448 4.821 3.143 19 H ASN 15 H ASN 15 -10.452 4.660 1.340 20 HA ASN 15 HA ASN 15 -8.830 5.682 3.533 21 1HB ASN 15 1HB ASN 15 -7.970 3.083 3.167 22 2HB ASN 15 2HB ASN 15 -9.218 3.544 4.308 23 1HD2 ASN 15 1HD2 ASN 15 -8.449 1.932 1.386 24 2HD2 ASN 15 2HD2 ASN 15 -10.021 1.332 0.977 25 H ALA 16 H ALA 16 -8.893 4.205 0.238 26 HA ALA 16 HA ALA 16 -6.250 3.888 -0.288 27 1HB ALA 16 1HB ALA 16 -7.019 3.530 -2.386 28 2HB ALA 16 2HB ALA 16 -8.633 3.833 -1.699 29 3HB ALA 16 3HB ALA 16 -7.742 5.154 -2.492 30 H GLU 17 H GLU 17 -8.171 6.930 -0.250 31 HA GLU 17 HA GLU 17 -6.217 8.535 -1.363 32 1HB GLU 17 1HB GLU 17 -7.478 10.409 -0.223 33 2HB GLU 17 2HB GLU 17 -8.485 9.338 -1.177 34 1HG GLU 17 1HG GLU 17 -9.776 9.194 0.702 35 2HG GLU 17 2HG GLU 17 -8.563 8.063 1.268 36 H ILE 18 H ILE 18 -6.883 7.586 2.056 37 HA ILE 18 HA ILE 18 -4.803 9.238 3.085 38 HB ILE 18 HB ILE 18 -6.803 7.327 4.111 39 1HG1 ILE 18 1HG1 ILE 18 -7.229 9.706 4.169 40 2HG1 ILE 18 2HG1 ILE 18 -7.084 9.092 5.804 41 1HG2 ILE 18 1HG2 ILE 18 -4.173 7.789 5.538 42 2HG2 ILE 18 2HG2 ILE 18 -5.651 7.185 6.326 43 3HG2 ILE 18 3HG2 ILE 18 -4.882 6.237 5.031 44 1HD1 ILE 18 1HD1 ILE 18 -4.479 9.760 5.361 45 2HD1 ILE 18 2HD1 ILE 18 -5.282 10.944 4.301 46 3HD1 ILE 18 3HD1 ILE 18 -5.673 10.895 6.037 47 H VAL 19 H VAL 19 -5.171 5.784 2.145 48 HA VAL 19 HA VAL 19 -2.728 4.908 3.149 49 HB VAL 19 HB VAL 19 -4.237 3.940 0.713 50 1HG1 VAL 19 1HG1 VAL 19 -1.773 3.118 1.717 51 2HG1 VAL 19 2HG1 VAL 19 -2.925 1.937 2.385 52 3HG1 VAL 19 3HG1 VAL 19 -2.835 2.196 0.626 53 1HG2 VAL 19 1HG2 VAL 19 -5.811 3.001 2.021 54 2HG2 VAL 19 2HG2 VAL 19 -4.633 2.527 3.268 55 3HG2 VAL 19 3HG2 VAL 19 -5.283 4.184 3.241 56 H CYS 20 H CYS 20 -3.631 6.606 0.128 57 HA CYS 20 HA CYS 20 -1.153 6.201 -1.137 58 1HB CYS 20 1HB CYS 20 -3.595 7.170 -1.922 59 2HB CYS 20 2HB CYS 20 -2.653 8.647 -1.853 60 HG CYS 20 HG CYS 20 -0.517 7.137 -3.030 61 H GLU 21 H GLU 21 -2.627 9.174 0.381 62 HA GLU 21 HA GLU 21 -0.471 10.762 0.323 63 1HB GLU 21 1HB GLU 21 -2.979 10.861 1.481 64 2HB GLU 21 2HB GLU 21 -1.949 10.886 2.899 65 1HG GLU 21 1HG GLU 21 -0.895 12.905 2.273 66 2HG GLU 21 2HG GLU 21 -1.263 12.694 0.573 67 H ALA 22 H ALA 22 -1.010 7.930 2.377 68 HA ALA 22 HA ALA 22 0.997 8.568 4.284 69 1HB ALA 22 1HB ALA 22 0.387 6.560 5.256 70 2HB ALA 22 2HB ALA 22 -1.076 6.895 4.300 71 3HB ALA 22 3HB ALA 22 0.143 5.750 3.690 72 H ILE 23 H ILE 23 0.831 6.286 1.458 73 HA ILE 23 HA ILE 23 3.435 5.401 1.610 74 HB ILE 23 HB ILE 23 1.451 4.613 0.192 75 1HG1 ILE 23 1HG1 ILE 23 4.275 4.671 -0.907 76 2HG1 ILE 23 2HG1 ILE 23 3.607 3.497 0.209 77 1HG2 ILE 23 1HG2 ILE 23 2.392 5.802 -2.237 78 2HG2 ILE 23 2HG2 ILE 23 0.761 5.833 -1.525 79 3HG2 ILE 23 3HG2 ILE 23 1.945 7.090 -1.093 80 1HD1 ILE 23 1HD1 ILE 23 1.822 3.011 -1.611 81 2HD1 ILE 23 2HD1 ILE 23 2.881 3.925 -2.712 82 3HD1 ILE 23 3HD1 ILE 23 3.480 2.444 -1.927 83 H LYS 24 H LYS 24 2.127 8.508 0.586 84 HA LYS 24 HA LYS 24 4.462 9.268 -0.874 85 1HB LYS 24 1HB LYS 24 1.863 10.493 -0.108 86 2HB LYS 24 2HB LYS 24 3.192 11.601 -0.382 87 1HG LYS 24 1HG LYS 24 3.560 10.021 -2.549 88 2HG LYS 24 2HG LYS 24 1.848 9.727 -2.317 89 1HD LYS 24 1HD LYS 24 2.239 12.551 -2.013 90 2HD LYS 24 2HD LYS 24 3.153 12.072 -3.429 91 1HE LYS 24 1HE LYS 24 1.174 12.172 -4.556 92 2HE LYS 24 2HE LYS 24 0.783 10.653 -3.775 93 1HZ LYS 24 1HZ LYS 24 -0.854 11.733 -2.805 94 2HZ LYS 24 2HZ LYS 24 0.228 12.590 -1.934 95 3HZ LYS 24 3HZ LYS 24 -0.342 13.187 -3.342 96 H THR 25 H THR 25 3.081 9.992 2.397 97 HA THR 25 HA THR 25 5.111 11.702 3.227 98 HB THR 25 HB THR 25 2.966 9.991 4.463 99 HG1 THR 25 1HG THR 25 2.554 12.186 3.876 100 1HG2 THR 25 1HG2 THR 25 5.004 11.503 6.165 101 2HG2 THR 25 2HG2 THR 25 3.661 10.479 6.726 102 3HG2 THR 25 3HG2 THR 25 5.080 9.738 5.949 103 H ILE 26 H ILE 26 5.027 8.166 2.950 104 HA ILE 26 HA ILE 26 7.224 7.685 4.638 105 HB ILE 26 HB ILE 26 6.068 6.102 2.341 106 1HG1 ILE 26 1HG1 ILE 26 5.673 5.590 5.288 107 2HG1 ILE 26 2HG1 ILE 26 4.636 6.699 4.412 108 1HG2 ILE 26 1HG2 ILE 26 7.206 4.197 3.744 109 2HG2 ILE 26 2HG2 ILE 26 8.135 5.121 2.540 110 3HG2 ILE 26 3HG2 ILE 26 8.283 5.513 4.270 111 1HD1 ILE 26 1HD1 ILE 26 3.438 4.950 3.627 112 2HD1 ILE 26 2HD1 ILE 26 4.889 4.335 2.799 113 3HD1 ILE 26 3HD1 ILE 26 4.530 3.821 4.465 114 H GLY 27 H GLY 27 7.649 6.555 1.336 115 1HA GLY 27 1HA GLY 27 8.997 8.175 -0.138 116 2HA GLY 27 2HA GLY 27 10.136 8.124 1.193 117 H ILE 28 H ILE 28 10.809 5.828 1.954 118 HA ILE 28 HA ILE 28 11.018 4.111 -0.422 119 HB ILE 28 HB ILE 28 13.218 3.718 -0.022 120 1HG1 ILE 28 1HG1 ILE 28 14.104 4.529 2.426 121 2HG1 ILE 28 2HG1 ILE 28 12.478 4.014 2.828 122 1HG2 ILE 28 1HG2 ILE 28 13.420 6.349 1.335 123 2HG2 ILE 28 2HG2 ILE 28 14.213 5.745 -0.140 124 3HG2 ILE 28 3HG2 ILE 28 12.525 6.308 -0.204 125 1HD1 ILE 28 1HD1 ILE 28 12.913 1.828 1.643 126 2HD1 ILE 28 2HD1 ILE 28 14.593 2.355 1.382 127 3HD1 ILE 28 3HD1 ILE 28 13.986 2.102 3.036 128 H GLU 29 H GLU 29 10.315 4.446 3.032 129 HA GLU 29 HA GLU 29 10.376 1.733 3.642 130 1HB GLU 29 1HB GLU 29 9.986 4.093 5.041 131 2HB GLU 29 2HB GLU 29 8.390 3.373 5.115 132 1HG GLU 29 1HG GLU 29 9.278 2.268 6.927 133 2HG GLU 29 2HG GLU 29 9.862 1.163 5.698 134 H GLY 30 H GLY 30 8.361 3.453 1.520 135 1HA GLY 30 1HA GLY 30 6.252 3.131 0.722 136 2HA GLY 30 2HA GLY 30 6.843 1.488 0.573 137 H ALA 31 H ALA 31 4.662 0.671 0.899 138 HA ALA 31 HA ALA 31 3.996 0.556 3.740 139 1HB ALA 31 1HB ALA 31 2.652 2.319 2.259 140 2HB ALA 31 2HB ALA 31 1.762 0.862 1.756 141 3HB ALA 31 3HB ALA 31 1.828 1.316 3.476 142 H THR 32 H THR 32 4.624 -1.585 3.962 143 HA THR 32 HA THR 32 3.839 -3.501 1.941 144 HB THR 32 HB THR 32 6.080 -3.468 3.175 145 HG1 THR 32 1HG THR 32 5.866 -5.839 3.468 146 1HG2 THR 32 1HG2 THR 32 5.751 -4.891 5.417 147 2HG2 THR 32 2HG2 THR 32 5.690 -3.113 5.475 148 3HG2 THR 32 3HG2 THR 32 4.180 -4.056 5.462 149 H ALA 33 H ALA 33 3.469 -5.670 3.952 150 HA ALA 33 HA ALA 33 0.641 -5.434 4.110 151 1HB ALA 33 1HB ALA 33 1.725 -7.569 3.654 152 2HB ALA 33 2HB ALA 33 2.619 -7.481 5.190 153 3HB ALA 33 3HB ALA 33 0.850 -7.677 5.200 154 H ALA 34 H ALA 34 2.991 -6.215 6.766 155 HA ALA 34 HA ALA 34 1.448 -5.680 8.882 156 1HB ALA 34 1HB ALA 34 3.530 -6.421 9.495 157 2HB ALA 34 2HB ALA 34 4.363 -5.419 8.282 158 3HB ALA 34 3HB ALA 34 3.783 -4.685 9.797 159 H GLN 35 H GLN 35 3.314 -3.221 6.981 160 HA GLN 35 HA GLN 35 2.923 -1.024 8.381 161 1HB GLN 35 1HB GLN 35 3.100 -1.644 5.500 162 2HB GLN 35 2HB GLN 35 2.279 -0.128 5.814 163 1HG GLN 35 1HG GLN 35 4.958 -0.848 7.084 164 2HG GLN 35 2HG GLN 35 4.832 0.010 5.561 165 1HE2 GLN 35 1HE2 GLN 35 3.482 1.980 5.541 166 2HE2 GLN 35 2HE2 GLN 35 3.519 3.035 6.915 167 H LEU 36 H LEU 36 0.608 -1.517 5.644 168 HA LEU 36 HA LEU 36 -1.350 0.110 6.579 169 1HB LEU 36 1HB LEU 36 -1.322 -2.293 4.803 170 2HB LEU 36 2HB LEU 36 -2.864 -1.601 5.266 171 HG LEU 36 HG LEU 36 -1.971 0.632 4.400 172 1HD1 LEU 36 1HD1 LEU 36 0.399 0.094 4.366 173 2HD1 LEU 36 2HD1 LEU 36 0.114 -1.186 3.162 174 3HD1 LEU 36 3HD1 LEU 36 -0.167 0.519 2.734 175 1HD2 LEU 36 1HD2 LEU 36 -2.542 -1.718 2.590 176 2HD2 LEU 36 2HD2 LEU 36 -3.657 -0.452 3.157 177 3HD2 LEU 36 3HD2 LEU 36 -2.377 -0.051 1.987 178 H THR 37 H THR 37 -0.980 -3.438 7.226 179 HA THR 37 HA THR 37 -3.232 -3.830 8.730 180 HB THR 37 HB THR 37 -0.400 -4.968 8.985 181 HG1 THR 37 1HG THR 37 -1.506 -5.293 6.943 182 1HG2 THR 37 1HG2 THR 37 -1.157 -6.392 10.604 183 2HG2 THR 37 2HG2 THR 37 -2.621 -5.388 10.734 184 3HG2 THR 37 3HG2 THR 37 -2.593 -6.784 9.629 185 H ARG 38 H ARG 38 -0.461 -1.839 9.493 186 HA ARG 38 HA ARG 38 -1.140 -1.869 12.284 187 1HB ARG 38 1HB ARG 38 1.232 -1.413 10.824 188 2HB ARG 38 2HB ARG 38 0.804 0.179 11.419 189 1HG ARG 38 1HG ARG 38 0.609 -0.748 13.741 190 2HG ARG 38 2HG ARG 38 1.055 -2.333 13.141 191 1HD ARG 38 1HD ARG 38 3.266 -1.806 13.206 192 2HD ARG 38 2HD ARG 38 3.009 -0.380 12.221 193 HE ARG 38 HE ARG 38 2.056 0.261 14.806 194 1HH1 ARG 38 2HH2 ARG 38 5.116 -0.611 13.304 195 2HH1 ARG 38 1HH2 ARG 38 6.075 0.264 14.451 196 1HH2 ARG 38 2HH1 ARG 38 3.320 1.416 16.319 197 2HH2 ARG 38 1HH1 ARG 38 5.047 1.425 16.178 198 H GLN 39 H GLN 39 -1.087 0.383 9.449 199 HA GLN 39 HA GLN 39 -1.853 2.662 10.714 200 1HB GLN 39 1HB GLN 39 -2.015 1.581 7.950 201 2HB GLN 39 2HB GLN 39 -3.162 2.862 8.289 202 1HG GLN 39 1HG GLN 39 -1.131 3.907 7.473 203 2HG GLN 39 2HG GLN 39 -1.255 4.271 9.183 204 1HE2 GLN 39 1HE2 GLN 39 -0.051 1.646 7.090 205 2HE2 GLN 39 2HE2 GLN 39 1.466 1.406 7.891 206 H LEU 40 H LEU 40 -3.741 -0.233 9.947 207 HA LEU 40 HA LEU 40 -6.154 1.159 10.878 208 1HB LEU 40 1HB LEU 40 -7.144 -1.067 9.801 209 2HB LEU 40 2HB LEU 40 -6.894 0.418 8.906 210 HG LEU 40 HG LEU 40 -4.680 -1.601 8.977 211 1HD1 LEU 40 1HD1 LEU 40 -6.623 -1.923 6.769 212 2HD1 LEU 40 2HD1 LEU 40 -5.644 -3.132 7.635 213 3HD1 LEU 40 3HD1 LEU 40 -7.149 -2.520 8.361 214 1HD2 LEU 40 1HD2 LEU 40 -5.670 0.301 6.835 215 2HD2 LEU 40 2HD2 LEU 40 -4.308 0.591 7.943 216 3HD2 LEU 40 3HD2 LEU 40 -4.219 -0.726 6.749 217 H ASN 41 H ASN 41 -5.023 -2.289 10.786 218 HA ASN 41 HA ASN 41 -4.536 -2.503 13.468 219 1HB ASN 41 1HB ASN 41 -7.359 -2.353 12.923 220 2HB ASN 41 2HB ASN 41 -7.019 -4.022 13.335 221 1HD2 ASN 41 1HD2 ASN 41 -5.530 -0.967 14.384 222 2HD2 ASN 41 2HD2 ASN 41 -5.814 -1.152 16.083 223 H MET 42 H MET 42 -6.329 -4.116 10.742 224 HA MET 42 HA MET 42 -4.417 -5.832 9.996 225 1HB MET 42 1HB MET 42 -5.302 -8.013 11.154 226 2HB MET 42 2HB MET 42 -4.278 -6.958 12.109 227 1HG MET 42 1HG MET 42 -6.898 -5.943 12.494 228 2HG MET 42 2HG MET 42 -7.091 -7.685 12.532 229 1HE MET 42 1HE MET 42 -7.110 -6.623 16.179 230 2HE MET 42 2HE MET 42 -8.029 -6.855 14.673 231 3HE MET 42 3HE MET 42 -7.267 -8.250 15.473 232 H GLU 43 H GLU 43 -6.588 -4.362 8.899 233 HA GLU 43 HA GLU 43 -8.571 -6.347 8.235 234 1HB GLU 43 1HB GLU 43 -8.752 -3.643 8.681 235 2HB GLU 43 2HB GLU 43 -8.660 -3.667 6.931 236 1HG GLU 43 1HG GLU 43 -10.869 -4.182 6.895 237 2HG GLU 43 2HG GLU 43 -10.454 -5.757 7.543 238 H LYS 44 H LYS 44 -6.351 -7.400 7.263 239 HA LYS 44 HA LYS 44 -5.210 -6.522 4.966 240 1HB LYS 44 1HB LYS 44 -4.328 -8.439 6.011 241 2HB LYS 44 2HB LYS 44 -5.858 -9.291 5.972 242 1HG LYS 44 1HG LYS 44 -5.724 -9.259 3.423 243 2HG LYS 44 2HG LYS 44 -4.112 -8.587 3.568 244 1HD LYS 44 1HD LYS 44 -3.961 -10.762 5.287 245 2HD LYS 44 2HD LYS 44 -5.052 -11.365 4.056 246 1HE LYS 44 1HE LYS 44 -3.359 -10.587 2.298 247 2HE LYS 44 2HE LYS 44 -2.255 -10.224 3.610 248 1HZ LYS 44 1HZ LYS 44 -3.243 -12.779 4.012 249 2HZ LYS 44 2HZ LYS 44 -2.776 -12.687 2.450 250 3HZ LYS 44 3HZ LYS 44 -1.714 -12.341 3.642 251 H ARG 45 H ARG 45 -8.525 -7.539 5.481 252 HA ARG 45 HA ARG 45 -9.064 -8.256 2.841 253 1HB ARG 45 1HB ARG 45 -10.668 -7.548 5.287 254 2HB ARG 45 2HB ARG 45 -11.509 -7.457 3.753 255 1HG ARG 45 1HG ARG 45 -11.340 -9.751 3.352 256 2HG ARG 45 2HG ARG 45 -9.843 -9.912 4.248 257 1HD ARG 45 1HD ARG 45 -11.668 -9.103 6.220 258 2HD ARG 45 2HD ARG 45 -12.631 -10.155 5.203 259 HE ARG 45 HE ARG 45 -10.579 -11.001 7.010 260 1HH1 ARG 45 2HH2 ARG 45 -11.764 -11.677 3.766 261 2HH1 ARG 45 1HH2 ARG 45 -11.212 -13.319 3.769 262 1HH2 ARG 45 2HH1 ARG 45 -9.850 -13.167 7.014 263 2HH2 ARG 45 1HH1 ARG 45 -10.116 -14.172 5.628 264 H GLU 46 H GLU 46 -9.290 -5.177 4.712 265 HA GLU 46 HA GLU 46 -10.453 -3.788 2.529 266 1HB GLU 46 1HB GLU 46 -10.617 -1.979 3.990 267 2HB GLU 46 2HB GLU 46 -10.597 -3.318 5.120 268 1HG GLU 46 1HG GLU 46 -8.990 -1.862 6.043 269 2HG GLU 46 2HG GLU 46 -7.995 -2.994 5.147 270 H VAL 47 H VAL 47 -7.177 -4.262 3.903 271 HA VAL 47 HA VAL 47 -5.978 -2.269 2.259 272 HB VAL 47 HB VAL 47 -4.036 -2.809 3.335 273 1HG1 VAL 47 1HG1 VAL 47 -4.522 -2.895 5.594 274 2HG1 VAL 47 2HG1 VAL 47 -6.104 -2.440 4.918 275 3HG1 VAL 47 3HG1 VAL 47 -5.789 -4.128 5.388 276 1HG2 VAL 47 1HG2 VAL 47 -3.454 -4.948 2.719 277 2HG2 VAL 47 2HG2 VAL 47 -3.823 -5.205 4.441 278 3HG2 VAL 47 3HG2 VAL 47 -5.023 -5.636 3.200 279 H ASN 48 H ASN 48 -6.916 -5.651 1.918 280 HA ASN 48 HA ASN 48 -5.130 -6.192 -0.191 281 1HB ASN 48 1HB ASN 48 -6.003 -8.090 1.006 282 2HB ASN 48 2HB ASN 48 -7.655 -7.518 0.882 283 1HD2 ASN 48 1HD2 ASN 48 -8.712 -8.966 -0.254 284 2HD2 ASN 48 2HD2 ASN 48 -8.268 -9.600 -1.804 285 H LYS 49 H LYS 49 -8.693 -5.481 0.084 286 HA LYS 49 HA LYS 49 -9.143 -5.455 -2.694 287 1HB LYS 49 1HB LYS 49 -10.730 -5.593 -0.523 288 2HB LYS 49 2HB LYS 49 -10.903 -3.885 -0.873 289 1HG LYS 49 1HG LYS 49 -12.622 -4.885 -2.164 290 2HG LYS 49 2HG LYS 49 -11.349 -4.602 -3.335 291 1HD LYS 49 1HD LYS 49 -10.559 -6.980 -2.995 292 2HD LYS 49 2HD LYS 49 -11.908 -7.246 -1.909 293 1HE LYS 49 1HE LYS 49 -12.698 -6.074 -4.524 294 2HE LYS 49 2HE LYS 49 -11.962 -7.659 -4.658 295 1HZ LYS 49 1HZ LYS 49 -14.382 -7.671 -4.288 296 2HZ LYS 49 2HZ LYS 49 -13.556 -8.534 -3.174 297 3HZ LYS 49 3HZ LYS 49 -14.148 -7.061 -2.792 298 H ALA 50 H ALA 50 -7.991 -3.053 -0.340 299 HA ALA 50 HA ALA 50 -8.394 -0.838 -2.097 300 1HB ALA 50 1HB ALA 50 -7.039 0.350 -0.360 301 2HB ALA 50 2HB ALA 50 -8.414 -0.550 0.324 302 3HB ALA 50 3HB ALA 50 -6.766 -1.212 0.450 303 H LEU 51 H LEU 51 -5.661 -3.003 -1.165 304 HA LEU 51 HA LEU 51 -3.740 -1.595 -2.673 305 1HB LEU 51 1HB LEU 51 -3.881 -4.341 -1.456 306 2HB LEU 51 2HB LEU 51 -2.514 -3.847 -2.436 307 HG LEU 51 HG LEU 51 -3.411 -2.235 -0.045 308 1HD1 LEU 51 1HD1 LEU 51 -1.334 -4.438 0.007 309 2HD1 LEU 51 2HD1 LEU 51 -1.877 -3.422 1.364 310 3HD1 LEU 51 3HD1 LEU 51 -2.994 -4.599 0.631 311 1HD2 LEU 51 1HD2 LEU 51 -0.609 -2.174 -0.452 312 2HD2 LEU 51 2HD2 LEU 51 -1.375 -1.945 -2.042 313 3HD2 LEU 51 3HD2 LEU 51 -1.792 -0.865 -0.689 314 H TYR 52 H TYR 52 -6.105 -4.169 -3.392 315 HA TYR 52 HA TYR 52 -4.990 -4.931 -5.862 316 1HB TYR 52 1HB TYR 52 -6.615 -6.396 -4.897 317 2HB TYR 52 2HB TYR 52 -7.600 -5.067 -4.318 318 HD1 TYR 52 1HD TYR 52 -9.312 -4.061 -5.724 319 HD2 TYR 52 2HD TYR 52 -6.818 -7.198 -7.223 320 HE1 TYR 52 1HE TYR 52 -10.882 -4.375 -7.699 321 HE2 TYR 52 2HE TYR 52 -8.397 -7.502 -9.193 322 HH TYR 52 HH TYR 52 -11.265 -5.428 -9.540 323 H ASP 53 H ASP 53 -7.862 -2.825 -5.101 324 HA ASP 53 HA ASP 53 -8.440 -2.099 -7.630 325 1HB ASP 53 1HB ASP 53 -9.379 -1.421 -5.179 326 2HB ASP 53 2HB ASP 53 -8.497 0.053 -5.525 327 H LEU 54 H LEU 54 -6.205 -0.458 -5.267 328 HA LEU 54 HA LEU 54 -5.412 1.625 -6.899 329 1HB LEU 54 1HB LEU 54 -4.050 0.172 -4.639 330 2HB LEU 54 2HB LEU 54 -3.333 1.563 -5.428 331 HG LEU 54 HG LEU 54 -5.870 1.448 -3.794 332 1HD1 LEU 54 1HD1 LEU 54 -4.789 2.806 -2.259 333 2HD1 LEU 54 2HD1 LEU 54 -3.487 1.720 -2.802 334 3HD1 LEU 54 3HD1 LEU 54 -3.591 3.377 -3.445 335 1HD2 LEU 54 1HD2 LEU 54 -6.115 3.893 -4.323 336 2HD2 LEU 54 2HD2 LEU 54 -4.934 3.660 -5.634 337 3HD2 LEU 54 3HD2 LEU 54 -6.484 2.785 -5.666 338 H GLN 55 H GLN 55 -4.223 -1.760 -6.657 339 HA GLN 55 HA GLN 55 -1.990 -1.432 -8.229 340 1HB GLN 55 1HB GLN 55 -2.838 -3.468 -6.811 341 2HB GLN 55 2HB GLN 55 -3.673 -3.955 -8.272 342 1HG GLN 55 1HG GLN 55 -0.730 -3.239 -8.401 343 2HG GLN 55 2HG GLN 55 -1.209 -4.816 -7.808 344 1HE2 GLN 55 1HE2 GLN 55 -1.848 -6.364 -9.172 345 2HE2 GLN 55 2HE2 GLN 55 -1.981 -6.203 -10.891 346 H ARG 56 H ARG 56 -5.379 -2.353 -9.135 347 HA ARG 56 HA ARG 56 -4.755 -2.562 -11.853 348 1HB ARG 56 1HB ARG 56 -7.310 -2.381 -10.230 349 2HB ARG 56 2HB ARG 56 -7.409 -2.246 -11.974 350 1HG ARG 56 1HG ARG 56 -7.711 -4.595 -11.311 351 2HG ARG 56 2HG ARG 56 -6.222 -4.429 -12.220 352 1HD ARG 56 1HD ARG 56 -4.905 -4.385 -10.114 353 2HD ARG 56 2HD ARG 56 -6.378 -4.454 -9.166 354 HE ARG 56 HE ARG 56 -6.570 -6.750 -9.642 355 1HH1 ARG 56 2HH2 ARG 56 -4.164 -5.297 -11.759 356 2HH1 ARG 56 1HH2 ARG 56 -3.599 -6.816 -12.370 357 1HH2 ARG 56 2HH1 ARG 56 -5.825 -8.754 -10.448 358 2HH2 ARG 56 1HH1 ARG 56 -4.550 -8.795 -11.619 359 H SER 57 H SER 57 -5.247 0.117 -9.708 360 HA SER 57 HA SER 57 -6.226 1.857 -11.763 361 1HB SER 57 1HB SER 57 -6.963 2.078 -9.384 362 2HB SER 57 2HB SER 57 -5.318 2.456 -8.912 363 HG SER 57 HG SER 57 -6.811 3.997 -10.856 364 H ALA 58 H ALA 58 -3.182 1.014 -10.097 365 HA ALA 58 HA ALA 58 -1.082 1.344 -10.813 366 1HB ALA 58 1HB ALA 58 -0.630 2.145 -12.917 367 2HB ALA 58 2HB ALA 58 -2.377 1.867 -13.116 368 3HB ALA 58 3HB ALA 58 -1.770 3.503 -12.765 369 H MET 59 H MET 59 -2.924 2.975 -8.914 370 HA MET 59 HA MET 59 -1.699 5.541 -8.912 371 1HB MET 59 1HB MET 59 -3.336 4.178 -6.706 372 2HB MET 59 2HB MET 59 -3.117 5.903 -6.921 373 1HG MET 59 1HG MET 59 -4.161 4.749 -9.386 374 2HG MET 59 2HG MET 59 -5.170 4.257 -8.040 375 1HE MET 59 1HE MET 59 -4.547 6.292 -10.591 376 2HE MET 59 2HE MET 59 -6.163 7.025 -10.451 377 3HE MET 59 3HE MET 59 -4.709 8.019 -10.195 378 H VAL 60 H VAL 60 -1.050 2.384 -7.507 379 HA VAL 60 HA VAL 60 1.053 3.619 -5.867 380 HB VAL 60 HB VAL 60 0.807 1.731 -4.340 381 1HG1 VAL 60 1HG1 VAL 60 -0.940 3.912 -4.633 382 2HG1 VAL 60 2HG1 VAL 60 -1.982 2.518 -4.261 383 3HG1 VAL 60 3HG1 VAL 60 -0.648 2.950 -3.165 384 1HG2 VAL 60 1HG2 VAL 60 -0.022 0.045 -5.906 385 2HG2 VAL 60 2HG2 VAL 60 -1.120 0.203 -4.514 386 3HG2 VAL 60 3HG2 VAL 60 -1.554 0.935 -6.077 387 H TYR 61 H TYR 61 2.560 1.382 -5.275 388 HA TYR 61 HA TYR 61 3.164 0.191 -7.886 389 1HB TYR 61 1HB TYR 61 4.559 2.306 -7.055 390 2HB TYR 61 2HB TYR 61 5.217 1.219 -5.849 391 HD1 TYR 61 1HD TYR 61 4.691 1.358 -9.566 392 HD2 TYR 61 2HD TYR 61 7.210 0.129 -6.333 393 HE1 TYR 61 1HE TYR 61 6.449 0.570 -11.225 394 HE2 TYR 61 2HE TYR 61 8.959 -0.655 -8.003 395 HH TYR 61 HH TYR 61 8.546 -1.449 -10.802 396 H SER 62 H SER 62 4.840 -1.655 -7.593 397 HA SER 62 HA SER 62 4.423 -2.905 -4.999 398 1HB SER 62 1HB SER 62 3.094 -3.730 -7.280 399 2HB SER 62 2HB SER 62 4.512 -4.758 -7.321 400 HG SER 62 HG SER 62 2.931 -4.451 -4.925 401 H SER 63 H SER 63 6.235 -4.055 -4.205 402 HA SER 63 HA SER 63 8.674 -3.416 -5.489 403 1HB SER 63 1HB SER 63 9.084 -3.428 -3.239 404 2HB SER 63 2HB SER 63 7.788 -4.559 -2.904 405 HG SER 63 HG SER 63 10.201 -5.442 -4.203 406 H ASP 64 H ASP 64 6.427 -6.118 -5.468 407 HA ASP 64 HA ASP 64 6.378 -7.994 -6.554 408 1HB ASP 64 1HB ASP 64 8.945 -7.079 -7.935 409 2HB ASP 64 2HB ASP 64 7.929 -8.403 -8.470 410 H ASP 65 H ASP 65 7.632 -7.920 -3.988 411 HA ASP 65 HA ASP 65 9.236 -10.265 -4.194 412 1HB ASP 65 1HB ASP 65 10.667 -7.949 -4.262 413 2HB ASP 65 2HB ASP 65 10.485 -8.099 -2.526 414 H ILE 66 H ILE 66 9.866 -10.942 -1.770 415 HA ILE 66 HA ILE 66 7.570 -10.226 -0.097 416 HB ILE 66 HB ILE 66 7.818 -12.580 -0.792 417 1HG1 ILE 66 1HG1 ILE 66 7.827 -13.472 1.676 418 2HG1 ILE 66 2HG1 ILE 66 7.897 -11.774 2.103 419 1HG2 ILE 66 1HG2 ILE 66 10.287 -12.646 0.956 420 2HG2 ILE 66 2HG2 ILE 66 9.594 -13.967 -0.014 421 3HG2 ILE 66 3HG2 ILE 66 10.328 -12.561 -0.821 422 1HD1 ILE 66 1HD1 ILE 66 5.571 -12.248 2.019 423 2HD1 ILE 66 2HD1 ILE 66 5.899 -11.461 0.456 424 3HD1 ILE 66 3HD1 ILE 66 5.737 -13.232 0.544 425 HA PRO 67 HA PRO 67 6.967 -10.094 1.632 426 1HB PRO 67 1HB PRO 67 6.222 -8.002 3.225 427 2HB PRO 67 2HB PRO 67 6.671 -9.575 3.856 428 1HG PRO 67 1HG PRO 67 8.226 -7.061 3.866 429 2HG PRO 67 2HG PRO 67 8.458 -8.500 4.840 430 1HD PRO 67 1HD PRO 67 10.006 -7.703 2.560 431 2HD PRO 67 2HD PRO 67 10.162 -9.197 3.463 432 HA PRO 68 HA PRO 68 5.433 -7.383 -1.254 433 1HB PRO 68 1HB PRO 68 2.778 -7.102 -0.673 434 2HB PRO 68 2HB PRO 68 3.435 -8.501 -1.499 435 1HG PRO 68 1HG PRO 68 2.524 -8.262 1.303 436 2HG PRO 68 2HG PRO 68 2.776 -9.711 0.351 437 1HD PRO 68 1HD PRO 68 4.506 -8.675 2.391 438 2HD PRO 68 2HD PRO 68 4.813 -10.058 1.359 439 H ARG 69 H ARG 69 6.386 -5.436 -1.320 440 HA ARG 69 HA ARG 69 5.345 -3.588 0.667 441 1HB ARG 69 1HB ARG 69 7.885 -3.309 -1.015 442 2HB ARG 69 2HB ARG 69 7.422 -2.300 0.341 443 1HG ARG 69 1HG ARG 69 8.009 -3.894 1.920 444 2HG ARG 69 2HG ARG 69 7.548 -5.240 0.897 445 1HD ARG 69 1HD ARG 69 9.599 -5.203 -0.307 446 2HD ARG 69 2HD ARG 69 9.948 -3.545 0.141 447 HE ARG 69 HE ARG 69 9.868 -4.936 2.571 448 1HH1 ARG 69 2HH2 ARG 69 11.721 -5.168 -0.411 449 2HH1 ARG 69 1HH2 ARG 69 13.126 -5.822 0.362 450 1HH2 ARG 69 2HH1 ARG 69 11.721 -5.799 3.592 451 2HH2 ARG 69 1HH1 ARG 69 13.126 -6.183 2.655 452 H TRP 70 H TRP 70 3.944 -2.022 -0.074 453 HA TRP 70 HA TRP 70 3.753 -1.641 -2.952 454 1HB TRP 70 1HB TRP 70 1.979 -0.656 -0.710 455 2HB TRP 70 2HB TRP 70 1.669 -0.475 -2.425 456 HD1 TRP 70 HD TRP 70 1.925 -3.316 0.221 457 HE1 TRP 70 1HE TRP 70 0.495 -5.409 -0.514 458 HE3 TRP 70 3HE TRP 70 0.652 -1.499 -4.355 459 HZ2 TRP 70 2HZ TRP 70 -0.974 -6.055 -2.874 460 HZ3 TRP 70 3HZ TRP 70 -0.783 -2.924 -5.812 461 HH2 TRP 70 HH TRP 70 -1.591 -5.130 -5.138 462 H PHE 71 H PHE 71 4.678 0.108 -3.943 463 HA PHE 71 HA PHE 71 5.534 2.295 -2.179 464 1HB PHE 71 1HB PHE 71 6.680 0.829 -4.583 465 2HB PHE 71 2HB PHE 71 7.085 2.526 -4.418 466 HD1 PHE 71 1HD PHE 71 6.574 0.871 -1.282 467 HD2 PHE 71 2HD PHE 71 9.452 1.613 -4.311 468 HE1 PHE 71 1HE PHE 71 8.413 0.277 0.319 469 HE2 PHE 71 2HE PHE 71 11.291 1.018 -2.709 470 HZ PHE 71 HZ PHE 71 10.749 0.358 -0.413 471 H MET 72 H MET 72 6.227 4.168 -4.152 472 HA MET 72 HA MET 72 3.622 4.621 -5.391 473 1HB MET 72 1HB MET 72 4.688 6.141 -3.414 474 2HB MET 72 2HB MET 72 5.547 6.876 -4.753 475 1HG MET 72 1HG MET 72 2.753 6.573 -5.491 476 2HG MET 72 2HG MET 72 2.841 7.355 -3.925 477 1HE MET 72 1HE MET 72 4.877 10.315 -4.210 478 2HE MET 72 2HE MET 72 5.013 8.679 -3.521 479 3HE MET 72 3HE MET 72 6.085 9.176 -4.852 480 H THR 73 H THR 73 3.908 4.020 -7.524 481 HA THR 73 HA THR 73 5.097 3.669 -9.449 482 HB THR 73 HB THR 73 3.588 5.715 -9.600 483 HG1 THR 73 1HG THR 73 6.161 5.839 -11.008 484 1HG2 THR 73 1HG2 THR 73 5.418 7.069 -8.120 485 2HG2 THR 73 2HG2 THR 73 6.082 7.399 -9.739 486 3HG2 THR 73 3HG2 THR 73 4.415 7.884 -9.344 487 H THR 74 H THR 74 7.042 2.656 -8.896 488 HA THR 74 HA THR 74 9.349 4.183 -9.531 489 HB THR 74 HB THR 74 8.716 4.731 -7.018 490 HG1 THR 74 1HG THR 74 10.789 5.349 -7.549 491 1HG2 THR 74 1HG2 THR 74 9.963 1.941 -6.863 492 2HG2 THR 74 2HG2 THR 74 9.996 3.097 -5.510 493 3HG2 THR 74 3HG2 THR 74 8.440 2.479 -6.115 Start of MODEL 20 1 H ARG 13 H ARG 13 -10.763 9.849 -2.988 2 HA ARG 13 HA ARG 13 -9.970 11.998 -1.490 3 1HB ARG 13 1HB ARG 13 -11.513 13.174 -3.241 4 2HB ARG 13 2HB ARG 13 -12.848 12.386 -2.423 5 1HG ARG 13 1HG ARG 13 -10.815 14.227 -1.075 6 2HG ARG 13 2HG ARG 13 -12.427 14.706 -1.567 7 1HD ARG 13 1HD ARG 13 -13.311 12.787 -0.071 8 2HD ARG 13 2HD ARG 13 -11.682 12.651 0.561 9 HE ARG 13 HE ARG 13 -13.575 14.857 1.044 10 1HH1 ARG 13 2HH2 ARG 13 -10.230 13.780 1.228 11 2HH1 ARG 13 1HH2 ARG 13 -9.784 14.953 2.421 12 1HH2 ARG 13 2HH1 ARG 13 -12.988 16.405 2.618 13 2HH2 ARG 13 1HH1 ARG 13 -11.363 16.457 3.217 14 H SER 14 H SER 14 -9.825 9.928 -0.237 15 HA SER 14 HA SER 14 -11.861 9.719 1.598 16 1HB SER 14 1HB SER 14 -13.071 8.633 -0.343 17 2HB SER 14 2HB SER 14 -11.845 7.381 -0.361 18 HG SER 14 HG SER 14 -12.820 6.409 1.274 19 H ASN 15 H ASN 15 -9.952 7.123 -0.097 20 HA ASN 15 HA ASN 15 -8.419 6.896 2.374 21 1HB ASN 15 1HB ASN 15 -8.030 4.463 1.199 22 2HB ASN 15 2HB ASN 15 -9.351 4.773 2.308 23 1HD2 ASN 15 1HD2 ASN 15 -10.458 3.067 1.241 24 2HD2 ASN 15 2HD2 ASN 15 -11.306 3.330 -0.246 25 H ALA 16 H ALA 16 -8.453 6.453 -1.233 26 HA ALA 16 HA ALA 16 -5.845 5.915 -1.728 27 1HB ALA 16 1HB ALA 16 -6.324 7.384 -3.855 28 2HB ALA 16 2HB ALA 16 -7.280 5.909 -3.572 29 3HB ALA 16 3HB ALA 16 -7.965 7.503 -3.175 30 H GLU 17 H GLU 17 -7.342 9.086 -0.917 31 HA GLU 17 HA GLU 17 -5.098 10.612 -1.457 32 1HB GLU 17 1HB GLU 17 -6.204 12.356 -0.159 33 2HB GLU 17 2HB GLU 17 -7.406 11.503 -1.106 34 1HG GLU 17 1HG GLU 17 -7.967 10.096 0.902 35 2HG GLU 17 2HG GLU 17 -6.792 10.993 1.844 36 H ILE 18 H ILE 18 -6.199 8.911 1.531 37 HA ILE 18 HA ILE 18 -4.010 9.893 3.074 38 HB ILE 18 HB ILE 18 -6.170 7.846 3.493 39 1HG1 ILE 18 1HG1 ILE 18 -6.905 10.131 3.643 40 2HG1 ILE 18 2HG1 ILE 18 -6.872 9.438 5.252 41 1HG2 ILE 18 1HG2 ILE 18 -3.704 8.327 5.133 42 2HG2 ILE 18 2HG2 ILE 18 -5.237 7.903 5.932 43 3HG2 ILE 18 3HG2 ILE 18 -4.527 6.801 4.728 44 1HD1 ILE 18 1HD1 ILE 18 -5.642 11.255 5.847 45 2HD1 ILE 18 2HD1 ILE 18 -4.292 10.480 4.984 46 3HD1 ILE 18 3HD1 ILE 18 -5.310 11.678 4.151 47 H VAL 19 H VAL 19 -4.675 7.101 0.978 48 HA VAL 19 HA VAL 19 -2.515 5.534 1.918 49 HB VAL 19 HB VAL 19 -3.855 5.457 -0.787 50 1HG1 VAL 19 1HG1 VAL 19 -2.196 3.899 -0.980 51 2HG1 VAL 19 2HG1 VAL 19 -2.098 3.620 0.776 52 3HG1 VAL 19 3HG1 VAL 19 -3.418 2.889 -0.169 53 1HG2 VAL 19 1HG2 VAL 19 -5.004 3.547 0.986 54 2HG2 VAL 19 2HG2 VAL 19 -5.059 5.133 1.793 55 3HG2 VAL 19 3HG2 VAL 19 -5.790 4.928 0.183 56 H CYS 20 H CYS 20 -2.896 8.186 -0.422 57 HA CYS 20 HA CYS 20 -0.313 7.717 -1.571 58 1HB CYS 20 1HB CYS 20 -2.626 9.093 -2.363 59 2HB CYS 20 2HB CYS 20 -1.440 10.354 -2.090 60 HG CYS 20 HG CYS 20 0.504 9.157 -3.454 61 H GLU 21 H GLU 21 -1.903 9.861 0.844 62 HA GLU 21 HA GLU 21 0.293 11.545 1.190 63 1HB GLU 21 1HB GLU 21 -2.348 11.154 2.356 64 2HB GLU 21 2HB GLU 21 -1.179 11.467 3.623 65 1HG GLU 21 1HG GLU 21 -0.398 13.507 2.416 66 2HG GLU 21 2HG GLU 21 -1.537 13.188 1.122 67 H ALA 22 H ALA 22 -0.656 8.399 2.583 68 HA ALA 22 HA ALA 22 1.319 8.504 4.652 69 1HB ALA 22 1HB ALA 22 -0.129 6.060 3.586 70 2HB ALA 22 2HB ALA 22 0.502 6.344 5.226 71 3HB ALA 22 3HB ALA 22 -0.921 7.245 4.651 72 H ILE 23 H ILE 23 0.888 6.460 1.669 73 HA ILE 23 HA ILE 23 3.325 5.240 1.718 74 HB ILE 23 HB ILE 23 1.420 4.743 0.223 75 1HG1 ILE 23 1HG1 ILE 23 4.116 5.097 -1.121 76 2HG1 ILE 23 2HG1 ILE 23 3.618 3.731 -0.142 77 1HG2 ILE 23 1HG2 ILE 23 2.390 6.764 -1.752 78 2HG2 ILE 23 2HG2 ILE 23 0.784 6.020 -1.561 79 3HG2 ILE 23 3HG2 ILE 23 1.310 7.302 -0.443 80 1HD1 ILE 23 1HD1 ILE 23 1.587 4.146 -2.141 81 2HD1 ILE 23 2HD1 ILE 23 3.173 4.158 -2.948 82 3HD1 ILE 23 3HD1 ILE 23 2.688 2.760 -1.959 83 H LYS 24 H LYS 24 2.478 8.544 0.609 84 HA LYS 24 HA LYS 24 4.986 9.077 -0.554 85 1HB LYS 24 1HB LYS 24 2.971 10.327 -1.125 86 2HB LYS 24 2HB LYS 24 2.835 10.927 0.515 87 1HG LYS 24 1HG LYS 24 4.116 12.688 -0.127 88 2HG LYS 24 2HG LYS 24 5.474 11.582 -0.189 89 1HD LYS 24 1HD LYS 24 5.001 11.079 -2.569 90 2HD LYS 24 2HD LYS 24 3.569 12.089 -2.524 91 1HE LYS 24 1HE LYS 24 4.899 13.813 -3.182 92 2HE LYS 24 2HE LYS 24 5.572 13.801 -1.564 93 1HZ LYS 24 1HZ LYS 24 6.609 11.965 -3.579 94 2HZ LYS 24 2HZ LYS 24 7.118 13.516 -3.548 95 3HZ LYS 24 3HZ LYS 24 7.353 12.554 -2.250 96 H THR 25 H THR 25 3.561 10.138 2.622 97 HA THR 25 HA THR 25 5.786 11.336 3.657 98 HB THR 25 HB THR 25 3.350 9.923 4.719 99 HG1 THR 25 1HG THR 25 3.778 12.274 4.002 100 1HG2 THR 25 1HG2 THR 25 5.696 10.868 6.449 101 2HG2 THR 25 2HG2 THR 25 4.063 10.511 7.060 102 3HG2 THR 25 3HG2 THR 25 5.061 9.207 6.375 103 H ILE 26 H ILE 26 5.214 7.886 3.137 104 HA ILE 26 HA ILE 26 7.210 6.992 4.919 105 HB ILE 26 HB ILE 26 5.953 5.709 2.492 106 1HG1 ILE 26 1HG1 ILE 26 4.649 6.445 4.718 107 2HG1 ILE 26 2HG1 ILE 26 4.246 5.010 3.797 108 1HG2 ILE 26 1HG2 ILE 26 6.707 3.577 3.723 109 2HG2 ILE 26 2HG2 ILE 26 7.918 4.492 2.793 110 3HG2 ILE 26 3HG2 ILE 26 7.858 4.642 4.566 111 1HD1 ILE 26 1HD1 ILE 26 5.372 3.559 5.312 112 2HD1 ILE 26 2HD1 ILE 26 6.306 4.895 6.028 113 3HD1 ILE 26 3HD1 ILE 26 4.564 4.746 6.364 114 H GLY 27 H GLY 27 7.620 5.977 1.574 115 1HA GLY 27 1HA GLY 27 9.243 7.360 0.201 116 2HA GLY 27 2HA GLY 27 10.292 7.234 1.600 117 H ILE 28 H ILE 28 10.529 4.830 2.479 118 HA ILE 28 HA ILE 28 10.855 3.107 0.120 119 HB ILE 28 HB ILE 28 12.912 2.451 0.807 120 1HG1 ILE 28 1HG1 ILE 28 13.600 2.990 3.337 121 2HG1 ILE 28 2HG1 ILE 28 11.867 2.881 3.570 122 1HG2 ILE 28 1HG2 ILE 28 12.740 5.219 2.029 123 2HG2 ILE 28 2HG2 ILE 28 14.223 4.384 1.506 124 3HG2 ILE 28 3HG2 ILE 28 12.993 4.849 0.306 125 1HD1 ILE 28 1HD1 ILE 28 12.552 0.650 3.868 126 2HD1 ILE 28 2HD1 ILE 28 12.056 0.660 2.159 127 3HD1 ILE 28 3HD1 ILE 28 13.782 0.754 2.585 128 H GLU 29 H GLU 29 9.805 3.476 3.501 129 HA GLU 29 HA GLU 29 9.402 0.786 4.021 130 1HB GLU 29 1HB GLU 29 9.044 3.235 5.368 131 2HB GLU 29 2HB GLU 29 7.436 2.541 5.315 132 1HG GLU 29 1HG GLU 29 8.028 1.209 7.053 133 2HG GLU 29 2HG GLU 29 9.104 0.356 5.964 134 H GLY 30 H GLY 30 7.879 2.836 1.753 135 1HA GLY 30 1HA GLY 30 5.855 2.803 0.707 136 2HA GLY 30 2HA GLY 30 6.287 1.116 0.510 137 H ALA 31 H ALA 31 4.036 0.482 0.544 138 HA ALA 31 HA ALA 31 2.857 0.655 3.233 139 1HB ALA 31 1HB ALA 31 0.943 0.108 1.118 140 2HB ALA 31 2HB ALA 31 0.965 1.436 2.303 141 3HB ALA 31 3HB ALA 31 1.851 1.598 0.768 142 H THR 32 H THR 32 4.036 -1.296 3.826 143 HA THR 32 HA THR 32 3.463 -3.682 2.280 144 HB THR 32 HB THR 32 5.673 -2.849 3.608 145 HG1 THR 32 1HG THR 32 6.070 -5.249 3.679 146 1HG2 THR 32 1HG2 THR 32 4.095 -4.577 5.587 147 2HG2 THR 32 2HG2 THR 32 5.842 -4.257 5.696 148 3HG2 THR 32 3HG2 THR 32 4.680 -2.922 5.879 149 H ALA 33 H ALA 33 2.383 -5.547 3.075 150 HA ALA 33 HA ALA 33 -0.050 -5.173 4.135 151 1HB ALA 33 1HB ALA 33 1.020 -7.659 5.156 152 2HB ALA 33 2HB ALA 33 -0.096 -7.393 3.795 153 3HB ALA 33 3HB ALA 33 1.663 -7.354 3.525 154 H ALA 34 H ALA 34 2.771 -6.343 6.120 155 HA ALA 34 HA ALA 34 1.706 -6.291 8.564 156 1HB ALA 34 1HB ALA 34 3.932 -6.940 8.482 157 2HB ALA 34 2HB ALA 34 4.412 -5.551 7.478 158 3HB ALA 34 3HB ALA 34 4.090 -5.326 9.214 159 H GLN 35 H GLN 35 3.069 -3.382 6.867 160 HA GLN 35 HA GLN 35 2.439 -1.623 8.904 161 1HB GLN 35 1HB GLN 35 3.313 -1.477 6.088 162 2HB GLN 35 2HB GLN 35 2.333 -0.104 6.562 163 1HG GLN 35 1HG GLN 35 4.474 -0.978 8.487 164 2HG GLN 35 2HG GLN 35 5.006 -0.211 7.004 165 1HE2 GLN 35 1HE2 GLN 35 3.368 1.698 6.402 166 2HE2 GLN 35 2HE2 GLN 35 3.169 2.880 7.652 167 H LEU 36 H LEU 36 0.591 -2.717 6.007 168 HA LEU 36 HA LEU 36 -1.545 -0.916 6.385 169 1HB LEU 36 1HB LEU 36 -0.969 -3.311 4.729 170 2HB LEU 36 2HB LEU 36 -2.657 -2.907 4.973 171 HG LEU 36 HG LEU 36 -1.750 -0.472 4.268 172 1HD1 LEU 36 1HD1 LEU 36 -0.092 -2.176 2.441 173 2HD1 LEU 36 2HD1 LEU 36 0.030 -0.439 2.809 174 3HD1 LEU 36 3HD1 LEU 36 0.577 -1.641 4.002 175 1HD2 LEU 36 1HD2 LEU 36 -2.307 -1.316 1.823 176 2HD2 LEU 36 2HD2 LEU 36 -2.831 -2.774 2.700 177 3HD2 LEU 36 3HD2 LEU 36 -3.562 -1.195 3.080 178 H THR 37 H THR 37 -0.449 -3.552 8.238 179 HA THR 37 HA THR 37 -3.160 -4.090 9.243 180 HB THR 37 HB THR 37 -0.518 -5.632 9.370 181 HG1 THR 37 1HG THR 37 -1.803 -5.707 7.381 182 1HG2 THR 37 1HG2 THR 37 -2.579 -5.746 11.284 183 2HG2 THR 37 2HG2 THR 37 -3.010 -7.027 10.125 184 3HG2 THR 37 3HG2 THR 37 -1.422 -7.051 10.929 185 H ARG 38 H ARG 38 -0.132 -2.503 9.936 186 HA ARG 38 HA ARG 38 -0.656 -2.537 12.752 187 1HB ARG 38 1HB ARG 38 1.616 -1.964 11.006 188 2HB ARG 38 2HB ARG 38 1.399 -0.644 12.138 189 1HG ARG 38 1HG ARG 38 2.685 -2.024 13.478 190 2HG ARG 38 2HG ARG 38 1.108 -2.666 13.895 191 1HD ARG 38 1HD ARG 38 2.203 -3.918 11.454 192 2HD ARG 38 2HD ARG 38 3.263 -4.128 12.834 193 HE ARG 38 HE ARG 38 0.732 -5.435 12.434 194 1HH1 ARG 38 2HH2 ARG 38 2.691 -3.988 14.973 195 2HH1 ARG 38 1HH2 ARG 38 2.013 -4.966 16.231 196 1HH2 ARG 38 2HH1 ARG 38 -0.164 -6.726 14.093 197 2HH2 ARG 38 1HH1 ARG 38 0.377 -6.534 15.727 198 H GLN 39 H GLN 39 -0.354 -0.092 10.073 199 HA GLN 39 HA GLN 39 -0.941 2.136 11.478 200 1HB GLN 39 1HB GLN 39 -0.682 1.427 8.773 201 2HB GLN 39 2HB GLN 39 -2.291 2.115 8.864 202 1HG GLN 39 1HG GLN 39 -1.175 4.108 8.638 203 2HG GLN 39 2HG GLN 39 -0.946 3.953 10.368 204 1HE2 GLN 39 1HE2 GLN 39 0.864 1.825 10.423 205 2HE2 GLN 39 2HE2 GLN 39 2.392 2.339 9.790 206 H LEU 40 H LEU 40 -3.085 -0.520 10.570 207 HA LEU 40 HA LEU 40 -5.342 1.020 11.652 208 1HB LEU 40 1HB LEU 40 -6.617 -0.879 10.340 209 2HB LEU 40 2HB LEU 40 -6.120 0.621 9.583 210 HG LEU 40 HG LEU 40 -4.147 -1.588 9.444 211 1HD1 LEU 40 1HD1 LEU 40 -6.742 -2.339 8.998 212 2HD1 LEU 40 2HD1 LEU 40 -6.208 -1.863 7.368 213 3HD1 LEU 40 3HD1 LEU 40 -5.306 -3.103 8.273 214 1HD2 LEU 40 1HD2 LEU 40 -3.342 -0.034 8.061 215 2HD2 LEU 40 2HD2 LEU 40 -4.585 -0.582 6.911 216 3HD2 LEU 40 3HD2 LEU 40 -4.902 0.818 7.965 217 H ASN 41 H ASN 41 -5.371 -2.475 11.052 218 HA ASN 41 HA ASN 41 -4.688 -3.060 13.757 219 1HB ASN 41 1HB ASN 41 -7.455 -2.625 13.040 220 2HB ASN 41 2HB ASN 41 -7.254 -4.344 13.317 221 1HD2 ASN 41 1HD2 ASN 41 -5.702 -1.468 14.732 222 2HD2 ASN 41 2HD2 ASN 41 -6.098 -1.795 16.386 223 H MET 42 H MET 42 -6.581 -4.278 10.881 224 HA MET 42 HA MET 42 -4.717 -6.010 9.962 225 1HB MET 42 1HB MET 42 -4.866 -7.232 12.109 226 2HB MET 42 2HB MET 42 -6.615 -7.291 12.004 227 1HG MET 42 1HG MET 42 -6.603 -9.055 10.519 228 2HG MET 42 2HG MET 42 -5.220 -8.440 9.636 229 1HE MET 42 1HE MET 42 -2.469 -9.909 10.350 230 2HE MET 42 2HE MET 42 -3.469 -11.361 10.100 231 3HE MET 42 3HE MET 42 -3.849 -9.857 9.228 232 H GLU 43 H GLU 43 -6.724 -4.263 8.967 233 HA GLU 43 HA GLU 43 -8.938 -5.846 8.140 234 1HB GLU 43 1HB GLU 43 -8.018 -3.009 7.745 235 2HB GLU 43 2HB GLU 43 -9.172 -3.653 6.595 236 1HG GLU 43 1HG GLU 43 -10.674 -2.891 8.181 237 2HG GLU 43 2HG GLU 43 -10.406 -4.494 8.837 238 H LYS 44 H LYS 44 -6.758 -7.294 7.378 239 HA LYS 44 HA LYS 44 -5.550 -6.723 4.986 240 1HB LYS 44 1HB LYS 44 -4.713 -8.527 6.223 241 2HB LYS 44 2HB LYS 44 -6.282 -9.290 6.378 242 1HG LYS 44 1HG LYS 44 -6.171 -10.272 4.291 243 2HG LYS 44 2HG LYS 44 -5.358 -8.899 3.567 244 1HD LYS 44 1HD LYS 44 -3.213 -9.561 4.535 245 2HD LYS 44 2HD LYS 44 -3.974 -10.802 5.511 246 1HE LYS 44 1HE LYS 44 -4.811 -11.769 3.197 247 2HE LYS 44 2HE LYS 44 -3.550 -10.767 2.505 248 1HZ LYS 44 1HZ LYS 44 -1.941 -11.890 3.789 249 2HZ LYS 44 2HZ LYS 44 -3.060 -12.686 4.672 250 3HZ LYS 44 3HZ LYS 44 -2.862 -13.043 3.090 251 H ARG 45 H ARG 45 -8.880 -7.702 5.667 252 HA ARG 45 HA ARG 45 -9.431 -8.571 3.064 253 1HB ARG 45 1HB ARG 45 -10.889 -8.124 5.580 254 2HB ARG 45 2HB ARG 45 -11.856 -7.639 4.201 255 1HG ARG 45 1HG ARG 45 -10.823 -10.032 3.289 256 2HG ARG 45 2HG ARG 45 -10.934 -10.358 5.008 257 1HD ARG 45 1HD ARG 45 -13.355 -9.511 4.917 258 2HD ARG 45 2HD ARG 45 -13.201 -9.454 3.172 259 HE ARG 45 HE ARG 45 -13.203 -11.820 3.090 260 1HH1 ARG 45 2HH2 ARG 45 -12.998 -10.701 6.419 261 2HH1 ARG 45 1HH2 ARG 45 -13.317 -12.262 7.098 262 1HH2 ARG 45 2HH1 ARG 45 -13.624 -13.880 3.984 263 2HH2 ARG 45 1HH1 ARG 45 -13.675 -14.083 5.704 264 H GLU 46 H GLU 46 -9.837 -5.452 4.849 265 HA GLU 46 HA GLU 46 -11.075 -4.199 2.629 266 1HB GLU 46 1HB GLU 46 -9.786 -2.721 4.939 267 2HB GLU 46 2HB GLU 46 -11.203 -2.271 4.012 268 1HG GLU 46 1HG GLU 46 -11.680 -4.869 5.200 269 2HG GLU 46 2HG GLU 46 -11.090 -3.792 6.450 270 H VAL 47 H VAL 47 -7.776 -4.341 4.058 271 HA VAL 47 HA VAL 47 -6.702 -2.365 2.333 272 HB VAL 47 HB VAL 47 -4.706 -2.795 3.386 273 1HG1 VAL 47 1HG1 VAL 47 -5.375 -2.368 5.472 274 2HG1 VAL 47 2HG1 VAL 47 -7.025 -2.818 4.978 275 3HG1 VAL 47 3HG1 VAL 47 -5.945 -4.041 5.689 276 1HG2 VAL 47 1HG2 VAL 47 -5.595 -5.647 3.358 277 2HG2 VAL 47 2HG2 VAL 47 -4.027 -4.929 2.919 278 3HG2 VAL 47 3HG2 VAL 47 -4.460 -5.142 4.632 279 H ASN 48 H ASN 48 -7.446 -5.800 2.068 280 HA ASN 48 HA ASN 48 -5.631 -6.310 -0.014 281 1HB ASN 48 1HB ASN 48 -6.418 -8.245 1.134 282 2HB ASN 48 2HB ASN 48 -8.082 -7.697 1.121 283 1HD2 ASN 48 1HD2 ASN 48 -5.575 -9.346 -0.560 284 2HD2 ASN 48 2HD2 ASN 48 -6.481 -9.892 -1.931 285 H LYS 49 H LYS 49 -9.267 -5.975 0.113 286 HA LYS 49 HA LYS 49 -9.671 -5.949 -2.626 287 1HB LYS 49 1HB LYS 49 -11.234 -5.855 -0.338 288 2HB LYS 49 2HB LYS 49 -11.553 -4.306 -1.091 289 1HG LYS 49 1HG LYS 49 -12.174 -5.384 -3.204 290 2HG LYS 49 2HG LYS 49 -11.661 -6.951 -2.611 291 1HD LYS 49 1HD LYS 49 -13.443 -6.270 -0.641 292 2HD LYS 49 2HD LYS 49 -14.150 -5.408 -1.993 293 1HE LYS 49 1HE LYS 49 -13.325 -8.117 -2.780 294 2HE LYS 49 2HE LYS 49 -14.426 -8.162 -1.417 295 1HZ LYS 49 1HZ LYS 49 -15.363 -6.287 -3.237 296 2HZ LYS 49 2HZ LYS 49 -15.028 -7.653 -4.067 297 3HZ LYS 49 3HZ LYS 49 -16.055 -7.699 -2.798 298 H ALA 50 H ALA 50 -8.625 -3.403 -0.368 299 HA ALA 50 HA ALA 50 -9.079 -1.270 -2.189 300 1HB ALA 50 1HB ALA 50 -7.204 -1.408 0.204 301 2HB ALA 50 2HB ALA 50 -7.902 0.052 -0.536 302 3HB ALA 50 3HB ALA 50 -8.953 -1.100 0.322 303 H LEU 51 H LEU 51 -6.179 -3.193 -1.163 304 HA LEU 51 HA LEU 51 -4.374 -1.853 -2.809 305 1HB LEU 51 1HB LEU 51 -4.468 -4.393 -1.291 306 2HB LEU 51 2HB LEU 51 -3.292 -4.315 -2.589 307 HG LEU 51 HG LEU 51 -2.179 -2.442 -1.597 308 1HD1 LEU 51 1HD1 LEU 51 -4.553 -1.597 -0.683 309 2HD1 LEU 51 2HD1 LEU 51 -3.904 -2.302 0.818 310 3HD1 LEU 51 3HD1 LEU 51 -2.998 -1.026 -0.031 311 1HD2 LEU 51 1HD2 LEU 51 -1.182 -3.491 0.196 312 2HD2 LEU 51 2HD2 LEU 51 -2.719 -4.145 0.812 313 3HD2 LEU 51 3HD2 LEU 51 -1.960 -4.862 -0.630 314 H TYR 52 H TYR 52 -6.778 -4.388 -3.442 315 HA TYR 52 HA TYR 52 -5.699 -5.247 -5.902 316 1HB TYR 52 1HB TYR 52 -7.343 -6.652 -4.879 317 2HB TYR 52 2HB TYR 52 -8.294 -5.288 -4.326 318 HD1 TYR 52 1HD TYR 52 -10.119 -4.446 -5.615 319 HD2 TYR 52 2HD TYR 52 -7.470 -7.348 -7.306 320 HE1 TYR 52 1HE TYR 52 -11.716 -4.778 -7.565 321 HE2 TYR 52 2HE TYR 52 -9.076 -7.671 -9.250 322 HH TYR 52 HH TYR 52 -10.817 -6.770 -10.312 323 H ASP 53 H ASP 53 -8.656 -3.219 -5.266 324 HA ASP 53 HA ASP 53 -9.172 -2.499 -7.780 325 1HB ASP 53 1HB ASP 53 -10.122 -1.764 -5.342 326 2HB ASP 53 2HB ASP 53 -9.256 -0.292 -5.737 327 H LEU 54 H LEU 54 -6.827 -0.973 -5.472 328 HA LEU 54 HA LEU 54 -6.059 1.119 -7.179 329 1HB LEU 54 1HB LEU 54 -4.690 -0.195 -4.831 330 2HB LEU 54 2HB LEU 54 -4.084 1.238 -5.637 331 HG LEU 54 HG LEU 54 -6.673 0.958 -4.094 332 1HD1 LEU 54 1HD1 LEU 54 -5.685 2.053 -2.388 333 2HD1 LEU 54 2HD1 LEU 54 -4.196 1.400 -3.114 334 3HD1 LEU 54 3HD1 LEU 54 -4.698 3.072 -3.463 335 1HD2 LEU 54 1HD2 LEU 54 -5.693 3.304 -5.742 336 2HD2 LEU 54 2HD2 LEU 54 -7.152 2.325 -6.023 337 3HD2 LEU 54 3HD2 LEU 54 -7.040 3.361 -4.581 338 H GLN 55 H GLN 55 -4.973 -2.269 -6.762 339 HA GLN 55 HA GLN 55 -2.638 -2.056 -8.209 340 1HB GLN 55 1HB GLN 55 -3.285 -4.012 -6.810 341 2HB GLN 55 2HB GLN 55 -4.530 -4.439 -7.968 342 1HG GLN 55 1HG GLN 55 -2.565 -5.813 -8.416 343 2HG GLN 55 2HG GLN 55 -2.762 -4.687 -9.744 344 1HE2 GLN 55 1HE2 GLN 55 -0.407 -5.634 -9.715 345 2HE2 GLN 55 2HE2 GLN 55 0.797 -4.597 -9.023 346 H ARG 56 H ARG 56 -6.046 -2.523 -9.238 347 HA ARG 56 HA ARG 56 -5.222 -2.881 -11.951 348 1HB ARG 56 1HB ARG 56 -8.089 -2.367 -11.105 349 2HB ARG 56 2HB ARG 56 -7.499 -3.390 -12.400 350 1HG ARG 56 1HG ARG 56 -7.321 -3.941 -9.405 351 2HG ARG 56 2HG ARG 56 -8.275 -4.821 -10.582 352 1HD ARG 56 1HD ARG 56 -5.316 -4.645 -11.099 353 2HD ARG 56 2HD ARG 56 -5.825 -5.661 -9.765 354 HE ARG 56 HE ARG 56 -7.524 -6.462 -11.772 355 1HH1 ARG 56 2HH2 ARG 56 -4.030 -6.068 -11.629 356 2HH1 ARG 56 1HH2 ARG 56 -3.714 -7.308 -12.796 357 1HH2 ARG 56 2HH1 ARG 56 -7.108 -8.098 -13.313 358 2HH2 ARG 56 1HH1 ARG 56 -5.477 -8.470 -13.761 359 H SER 57 H SER 57 -5.925 -0.279 -9.780 360 HA SER 57 HA SER 57 -6.923 1.471 -11.804 361 1HB SER 57 1HB SER 57 -6.029 2.028 -8.940 362 2HB SER 57 2HB SER 57 -6.845 3.181 -9.977 363 HG SER 57 HG SER 57 -8.028 0.608 -9.483 364 H ALA 58 H ALA 58 -3.842 0.623 -10.248 365 HA ALA 58 HA ALA 58 -1.766 1.034 -10.994 366 1HB ALA 58 1HB ALA 58 -1.342 2.122 -13.012 367 2HB ALA 58 2HB ALA 58 -3.026 1.593 -13.243 368 3HB ALA 58 3HB ALA 58 -2.676 3.279 -12.789 369 H MET 59 H MET 59 -3.448 2.385 -8.850 370 HA MET 59 HA MET 59 -2.274 4.999 -8.724 371 1HB MET 59 1HB MET 59 -3.904 3.503 -6.602 372 2HB MET 59 2HB MET 59 -3.682 5.238 -6.715 373 1HG MET 59 1HG MET 59 -4.758 4.188 -9.228 374 2HG MET 59 2HG MET 59 -5.768 3.698 -7.882 375 1HE MET 59 1HE MET 59 -4.913 7.969 -9.316 376 2HE MET 59 2HE MET 59 -3.593 6.857 -8.879 377 3HE MET 59 3HE MET 59 -4.684 6.457 -10.227 378 H VAL 60 H VAL 60 -1.485 1.768 -7.752 379 HA VAL 60 HA VAL 60 0.729 2.827 -6.181 380 HB VAL 60 HB VAL 60 0.374 1.242 -4.403 381 1HG1 VAL 60 1HG1 VAL 60 -1.464 2.282 -3.303 382 2HG1 VAL 60 2HG1 VAL 60 -0.761 3.511 -4.381 383 3HG1 VAL 60 3HG1 VAL 60 -2.261 2.672 -4.846 384 1HG2 VAL 60 1HG2 VAL 60 -1.479 -0.257 -4.257 385 2HG2 VAL 60 2HG2 VAL 60 -2.249 0.449 -5.699 386 3HG2 VAL 60 3HG2 VAL 60 -0.747 -0.492 -5.863 387 H TYR 61 H TYR 61 2.507 1.215 -5.965 388 HA TYR 61 HA TYR 61 2.352 -0.809 -8.095 389 1HB TYR 61 1HB TYR 61 4.227 1.456 -7.424 390 2HB TYR 61 2HB TYR 61 5.033 -0.048 -7.825 391 HD1 TYR 61 1HD TYR 61 5.999 0.415 -9.920 392 HD2 TYR 61 2HD TYR 61 1.862 1.294 -9.276 393 HE1 TYR 61 1HE TYR 61 5.716 0.927 -12.394 394 HE2 TYR 61 2HE TYR 61 1.592 1.804 -11.753 395 HH TYR 61 HH TYR 61 4.089 1.061 -14.027 396 H SER 62 H SER 62 4.867 -1.977 -7.693 397 HA SER 62 HA SER 62 4.680 -2.838 -4.914 398 1HB SER 62 1HB SER 62 4.023 -4.393 -7.149 399 2HB SER 62 2HB SER 62 5.662 -4.897 -6.785 400 HG SER 62 HG SER 62 4.527 -4.822 -4.410 401 H SER 63 H SER 63 6.741 -3.599 -3.978 402 HA SER 63 HA SER 63 8.891 -2.045 -4.902 403 1HB SER 63 1HB SER 63 8.169 -3.336 -2.512 404 2HB SER 63 2HB SER 63 9.608 -4.195 -3.025 405 HG SER 63 HG SER 63 9.588 -1.922 -1.733 406 H ASP 64 H ASP 64 7.885 -5.458 -5.212 407 HA ASP 64 HA ASP 64 8.493 -6.911 -6.751 408 1HB ASP 64 1HB ASP 64 9.647 -4.713 -7.873 409 2HB ASP 64 2HB ASP 64 11.102 -5.593 -7.451 410 H ASP 65 H ASP 65 9.509 -6.432 -3.872 411 HA ASP 65 HA ASP 65 11.492 -8.516 -3.965 412 1HB ASP 65 1HB ASP 65 12.039 -6.170 -2.142 413 2HB ASP 65 2HB ASP 65 13.163 -7.365 -2.758 414 H ILE 66 H ILE 66 11.928 -9.266 -1.554 415 HA ILE 66 HA ILE 66 9.364 -9.163 -0.167 416 HB ILE 66 HB ILE 66 11.592 -11.102 -0.401 417 1HG1 ILE 66 1HG1 ILE 66 9.386 -12.565 -0.033 418 2HG1 ILE 66 2HG1 ILE 66 8.608 -11.076 -0.528 419 1HG2 ILE 66 1HG2 ILE 66 10.407 -12.175 1.754 420 2HG2 ILE 66 2HG2 ILE 66 11.866 -11.159 1.844 421 3HG2 ILE 66 3HG2 ILE 66 10.267 -10.451 2.175 422 1HD1 ILE 66 1HD1 ILE 66 8.972 -11.931 -2.633 423 2HD1 ILE 66 2HD1 ILE 66 10.573 -11.183 -2.414 424 3HD1 ILE 66 3HD1 ILE 66 10.352 -12.922 -2.102 425 HA PRO 67 HA PRO 67 8.633 -9.500 1.583 426 1HB PRO 67 1HB PRO 67 7.094 -7.950 3.225 427 2HB PRO 67 2HB PRO 67 8.031 -9.315 3.797 428 1HG PRO 67 1HG PRO 67 8.588 -6.428 4.100 429 2HG PRO 67 2HG PRO 67 9.254 -7.775 5.002 430 1HD PRO 67 1HD PRO 67 10.559 -6.290 2.924 431 2HD PRO 67 2HD PRO 67 11.178 -7.708 3.746 432 HA PRO 68 HA PRO 68 6.413 -7.252 -1.255 433 1HB PRO 68 1HB PRO 68 3.796 -7.946 -0.881 434 2HB PRO 68 2HB PRO 68 4.945 -8.962 -1.727 435 1HG PRO 68 1HG PRO 68 3.847 -9.280 0.999 436 2HG PRO 68 2HG PRO 68 4.641 -10.472 -0.010 437 1HD PRO 68 1HD PRO 68 5.783 -9.078 2.221 438 2HD PRO 68 2HD PRO 68 6.610 -10.183 1.141 439 H ARG 69 H ARG 69 6.381 -5.105 -1.357 440 HA ARG 69 HA ARG 69 4.576 -3.899 0.578 441 1HB ARG 69 1HB ARG 69 7.071 -2.444 -0.348 442 2HB ARG 69 2HB ARG 69 6.139 -2.191 1.115 443 1HG ARG 69 1HG ARG 69 6.935 -4.344 2.041 444 2HG ARG 69 2HG ARG 69 7.784 -4.703 0.551 445 1HD ARG 69 1HD ARG 69 9.451 -3.835 2.050 446 2HD ARG 69 2HD ARG 69 9.129 -2.544 0.911 447 HE ARG 69 HE ARG 69 8.058 -1.296 2.619 448 1HH1 ARG 69 2HH2 ARG 69 8.842 -4.536 3.747 449 2HH1 ARG 69 1HH2 ARG 69 8.535 -4.168 5.412 450 1HH2 ARG 69 2HH1 ARG 69 7.654 -0.811 4.815 451 2HH2 ARG 69 1HH1 ARG 69 7.855 -2.035 6.023 452 H TRP 70 H TRP 70 3.359 -2.085 -0.211 453 HA TRP 70 HA TRP 70 3.327 -1.903 -3.113 454 1HB TRP 70 1HB TRP 70 1.425 -0.753 -1.063 455 2HB TRP 70 2HB TRP 70 1.202 -0.761 -2.802 456 HD1 TRP 70 HD TRP 70 1.696 -3.481 -0.024 457 HE1 TRP 70 1HE TRP 70 0.212 -5.600 -0.541 458 HE3 TRP 70 3HE TRP 70 -0.163 -1.754 -4.430 459 HZ2 TRP 70 2HZ TRP 70 -1.534 -6.301 -2.687 460 HZ3 TRP 70 3HZ TRP 70 -1.752 -3.218 -5.674 461 HH2 TRP 70 HH TRP 70 -2.441 -5.421 -4.869 462 H PHE 71 H PHE 71 4.416 -0.278 -4.134 463 HA PHE 71 HA PHE 71 5.148 2.040 -2.495 464 1HB PHE 71 1HB PHE 71 6.342 0.462 -4.805 465 2HB PHE 71 2HB PHE 71 6.754 2.162 -4.696 466 HD1 PHE 71 1HD PHE 71 6.157 0.633 -1.513 467 HD2 PHE 71 2HD PHE 71 9.111 1.240 -4.498 468 HE1 PHE 71 1HE PHE 71 7.953 0.090 0.155 469 HE2 PHE 71 2HE PHE 71 10.907 0.698 -2.830 470 HZ PHE 71 HZ PHE 71 10.307 0.129 -0.524 471 H MET 72 H MET 72 5.867 3.832 -4.510 472 HA MET 72 HA MET 72 3.280 4.237 -5.799 473 1HB MET 72 1HB MET 72 4.788 5.885 -4.029 474 2HB MET 72 2HB MET 72 5.026 6.609 -5.607 475 1HG MET 72 1HG MET 72 2.236 5.828 -4.688 476 2HG MET 72 2HG MET 72 2.945 7.344 -4.170 477 1HE MET 72 1HE MET 72 1.723 9.544 -6.779 478 2HE MET 72 2HE MET 72 1.743 9.034 -5.074 479 3HE MET 72 3HE MET 72 3.259 9.502 -5.881 480 H THR 73 H THR 73 3.592 3.370 -7.853 481 HA THR 73 HA THR 73 4.421 3.114 -9.903 482 HB THR 73 HB THR 73 3.831 5.635 -9.767 483 HG1 THR 73 1HG THR 73 6.014 4.624 -11.453 484 1HG2 THR 73 1HG2 THR 73 5.545 6.802 -8.679 485 2HG2 THR 73 2HG2 THR 73 6.797 5.653 -9.208 486 3HG2 THR 73 3HG2 THR 73 6.167 6.870 -10.345 487 H THR 74 H THR 74 6.325 2.711 -11.232 488 HA THR 74 HA THR 74 8.307 1.691 -11.400 489 HB THR 74 HB THR 74 8.818 4.201 -11.404 490 HG1 THR 74 1HG THR 74 10.697 2.280 -10.217 491 1HG2 THR 74 1HG2 THR 74 10.403 4.654 -9.289 492 2HG2 THR 74 2HG2 THR 74 8.666 5.032 -9.204 493 3HG2 THR 74 3HG2 THR 74 9.285 3.524 -8.489
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