NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
3221 | 1dby | cing | recoord | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -7.606 2.873 -6.662 2 2H MET 1 2H MET 1 -8.481 1.533 -6.466 3 3H MET 1 3H MET 1 -9.280 2.893 -6.754 4 HA MET 1 HA MET 1 -9.173 1.323 -8.629 5 1HB MET 1 1HB MET 1 -8.633 2.727 -10.383 6 2HB MET 1 2HB MET 1 -9.069 3.850 -9.106 7 1HG MET 1 1HG MET 1 -6.266 3.152 -10.083 8 2HG MET 1 2HG MET 1 -7.131 4.659 -10.328 9 1HE MET 1 1HE MET 1 -8.299 5.521 -7.589 10 2HE MET 1 2HE MET 1 -7.302 6.573 -8.625 11 3HE MET 1 3HE MET 1 -6.923 6.402 -6.897 12 H GLU 2 HN GLU 2 -7.386 0.703 -10.504 13 HA GLU 2 HA GLU 2 -5.944 -1.359 -9.440 14 1HB GLU 2 1HB GLU 2 -4.709 -1.441 -11.526 15 2HB GLU 2 2HB GLU 2 -6.421 -1.169 -11.811 16 1HG GLU 2 2HG GLU 2 -4.239 0.978 -11.946 17 2HG GLU 2 1HG GLU 2 -4.924 0.120 -13.324 18 H ALA 3 H ALA 3 -3.988 -1.790 -8.631 19 HA ALA 3 HA ALA 3 -2.649 0.255 -7.242 20 1HB ALA 3 1HB ALA 3 -1.801 -2.621 -7.761 21 2HB ALA 3 2HB ALA 3 -2.927 -2.109 -6.497 22 3HB ALA 3 3HB ALA 3 -1.236 -1.567 -6.436 23 H GLY 4 H GLY 4 -1.010 1.587 -7.802 24 1HA GLY 4 1HA GLY 4 0.464 1.152 -10.334 25 2HA GLY 4 2HA GLY 4 0.540 2.551 -9.255 26 H ALA 5 H ALA 5 2.938 2.191 -9.787 27 HA ALA 5 HA ALA 5 4.192 0.440 -7.722 28 1HB ALA 5 1HB ALA 5 4.561 -0.570 -9.941 29 2HB ALA 5 2HB ALA 5 6.066 0.099 -9.276 30 3HB ALA 5 3HB ALA 5 5.192 0.978 -10.550 31 H VAL 6 H VAL 6 5.823 1.514 -6.552 32 HA VAL 6 HA VAL 6 6.556 4.269 -7.387 33 HB VAL 6 HB VAL 6 6.349 4.812 -4.817 34 1HG1 VAL 6 1HG1 VAL 6 4.541 3.749 -3.635 35 2HG1 VAL 6 2HG1 VAL 6 4.196 2.678 -5.005 36 3HG1 VAL 6 3HG1 VAL 6 5.721 2.522 -4.128 37 1HG2 VAL 6 1HG2 VAL 6 5.173 6.083 -6.407 38 2HG2 VAL 6 2HG2 VAL 6 4.029 5.615 -5.140 39 3HG2 VAL 6 3HG2 VAL 6 4.011 4.784 -6.719 40 H ASN 7 H ASN 7 8.259 5.137 -6.069 41 HA ASN 7 HA ASN 7 10.048 3.351 -4.639 42 1HB ASN 7 1HB ASN 7 10.792 4.617 -7.301 43 2HB ASN 7 2HB ASN 7 12.012 4.297 -6.077 44 1HD2 ASN 7 2HD2 ASN 7 11.752 2.027 -4.973 45 2HD2 ASN 7 1HD2 ASN 7 11.697 0.711 -6.137 46 H ASP 8 HN ASP 8 11.942 4.873 -3.939 47 HA ASP 8 HA ASP 8 11.088 6.706 -2.150 48 1HB ASP 8 2HB ASP 8 13.458 6.029 -2.457 49 2HB ASP 8 1HB ASP 8 13.603 7.095 -3.847 50 H ASP 9 HN ASP 9 12.245 7.791 -5.321 51 HA ASP 9 HA ASP 9 11.588 10.463 -5.169 52 1HB ASP 9 1HB ASP 9 11.495 8.714 -7.677 53 2HB ASP 9 2HB ASP 9 11.758 10.460 -7.603 54 H THR 10 H THR 10 9.524 7.924 -6.752 55 HA THR 10 HA THR 10 7.444 9.793 -7.406 56 HB THR 10 HB THR 10 6.248 7.559 -7.908 57 HG1 THR 10 HG1 THR 10 7.893 5.852 -8.073 58 1HG2 THR 10 1HG2 THR 10 8.963 8.120 -9.193 59 2HG2 THR 10 2HG2 THR 10 7.428 8.906 -9.619 60 3HG2 THR 10 3HG2 THR 10 7.642 7.172 -9.908 61 H PHE 11 H PHE 11 8.004 7.586 -4.709 62 HA PHE 11 HA PHE 11 5.571 7.376 -3.457 63 1HB PHE 11 1HB PHE 11 7.726 6.415 -2.697 64 2HB PHE 11 2HB PHE 11 8.261 7.985 -2.175 65 HD1 PHE 11 HD1 PHE 11 7.528 8.995 -0.106 66 HD2 PHE 11 HD2 PHE 11 5.885 5.241 -1.446 67 HE1 PHE 11 HE1 PHE 11 6.500 8.662 2.105 68 HE2 PHE 11 HE2 PHE 11 4.862 4.902 0.788 69 HZ PHE 11 HZ PHE 11 5.060 6.647 2.526 70 H LYS 12 HN LYS 12 7.860 10.014 -3.191 71 HA LYS 12 HA LYS 12 6.569 11.703 -1.343 72 1HB LYS 12 2HB LYS 12 8.008 12.653 -3.858 73 2HB LYS 12 1HB LYS 12 7.755 13.576 -2.377 74 1HG LYS 12 1HG LYS 12 9.460 11.064 -2.676 75 2HG LYS 12 2HG LYS 12 10.056 12.714 -2.602 76 1HD LYS 12 1HD LYS 12 9.185 12.952 -0.300 77 2HD LYS 12 2HD LYS 12 8.582 11.283 -0.338 78 1HE LYS 12 2HE LYS 12 11.511 12.049 -0.710 79 2HE LYS 12 1HE LYS 12 10.794 11.540 0.826 80 1HZ LYS 12 1HZ LYS 12 10.849 9.900 -1.613 81 2HZ LYS 12 2HZ LYS 12 11.863 9.744 -0.328 82 3HZ LYS 12 3HZ LYS 12 10.252 9.453 -0.145 83 H ASN 13 H ASN 13 6.142 11.712 -4.887 84 HA ASN 13 HA ASN 13 3.988 13.664 -4.928 85 1HB ASN 13 2HB ASN 13 5.307 11.767 -6.877 86 2HB ASN 13 1HB ASN 13 3.698 12.343 -7.261 87 1HD2 ASN 13 2HD2 ASN 13 5.798 14.599 -5.422 88 2HD2 ASN 13 1HD2 ASN 13 6.182 15.569 -6.828 89 H VAL 14 H VAL 14 4.042 10.196 -5.569 90 HA VAL 14 HA VAL 14 1.214 9.937 -5.907 91 HB VAL 14 HB VAL 14 3.505 7.960 -5.451 92 1HG1 VAL 14 1HG1 VAL 14 3.412 7.672 -7.913 93 2HG1 VAL 14 2HG1 VAL 14 2.129 8.893 -8.012 94 3HG1 VAL 14 3HG1 VAL 14 3.767 9.351 -7.509 95 1HG2 VAL 14 1HG2 VAL 14 1.492 6.740 -4.984 96 2HG2 VAL 14 2HG2 VAL 14 2.021 6.315 -6.620 97 3HG2 VAL 14 3HG2 VAL 14 0.673 7.452 -6.404 98 H VAL 15 H VAL 15 3.202 9.724 -3.000 99 HA VAL 15 HA VAL 15 0.812 8.723 -1.512 100 HB VAL 15 HB VAL 15 3.705 8.412 -0.657 101 1HG1 VAL 15 1HG1 VAL 15 1.118 7.066 0.204 102 2HG1 VAL 15 2HG1 VAL 15 2.742 6.743 0.839 103 3HG1 VAL 15 3HG1 VAL 15 1.988 8.315 1.116 104 1HG2 VAL 15 1HG2 VAL 15 1.952 6.491 -2.235 105 2HG2 VAL 15 2HG2 VAL 15 3.472 6.063 -1.432 106 3HG2 VAL 15 3HG2 VAL 15 3.477 7.206 -2.766 107 H LEU 16 H LEU 16 3.798 10.576 -0.588 108 HA LEU 16 HA LEU 16 2.523 11.750 1.637 109 1HB LEU 16 1HB LEU 16 4.862 12.840 0.017 110 2HB LEU 16 2HB LEU 16 4.352 13.406 1.593 111 HG LEU 16 HG LEU 16 5.444 10.642 0.917 112 1HD1 LEU 16 1HD1 LEU 16 6.544 12.866 2.690 113 2HD1 LEU 16 2HD1 LEU 16 7.347 11.335 2.281 114 3HD1 LEU 16 3HD1 LEU 16 7.063 12.556 1.024 115 1HD2 LEU 16 1HD2 LEU 16 3.848 10.267 2.700 116 2HD2 LEU 16 2HD2 LEU 16 5.441 10.356 3.462 117 3HD2 LEU 16 3HD2 LEU 16 4.353 11.750 3.545 118 H GLU 17 HN GLU 17 2.889 13.123 -1.640 119 HA GLU 17 HA GLU 17 1.289 15.485 -0.900 120 1HB GLU 17 2HB GLU 17 2.544 14.569 -3.502 121 2HB GLU 17 1HB GLU 17 1.852 16.156 -3.203 122 1HG GLU 17 1HG GLU 17 3.561 16.714 -1.588 123 2HG GLU 17 2HG GLU 17 4.222 15.078 -1.600 124 H SER 18 H SER 18 0.086 12.510 -1.202 125 HA SER 18 HA SER 18 -1.607 12.753 -3.524 126 1HB SER 18 2HB SER 18 -2.656 10.729 -2.716 127 2HB SER 18 1HB SER 18 -0.915 10.599 -2.527 128 HG SER 18 HG SER 18 -1.073 10.806 -0.395 129 H SER 19 H SER 19 -3.843 13.149 -3.664 130 HA SER 19 HA SER 19 -5.031 14.919 -1.636 131 1HB SER 19 1HB SER 19 -6.746 15.024 -3.579 132 2HB SER 19 2HB SER 19 -5.130 15.702 -3.875 133 HG SER 19 HG SER 19 -5.760 14.292 -5.579 134 H VAL 20 H VAL 20 -5.941 12.160 -3.619 135 HA VAL 20 HA VAL 20 -8.120 11.267 -1.880 136 HB VAL 20 HB VAL 20 -7.622 9.183 -3.605 137 1HG1 VAL 20 1HG1 VAL 20 -5.748 10.333 -4.729 138 2HG1 VAL 20 2HG1 VAL 20 -7.091 9.884 -5.789 139 3HG1 VAL 20 3HG1 VAL 20 -6.905 11.572 -5.299 140 1HG2 VAL 20 1HG2 VAL 20 -9.418 10.025 -4.998 141 2HG2 VAL 20 2HG2 VAL 20 -9.280 11.625 -4.239 142 3HG2 VAL 20 3HG2 VAL 20 -9.785 10.216 -3.276 143 HA PRO 21 HA PRO 21 -5.991 8.413 0.712 144 1HB PRO 21 1HB PRO 21 -7.783 6.231 -0.375 145 2HB PRO 21 2HB PRO 21 -7.387 6.565 1.334 146 1HG PRO 21 2HG PRO 21 -9.732 7.326 0.307 147 2HG PRO 21 1HG PRO 21 -8.833 8.484 1.334 148 1HD PRO 21 2HD PRO 21 -9.005 8.455 -1.692 149 2HD PRO 21 1HD PRO 21 -9.122 9.794 -0.578 150 H VAL 22 H VAL 22 -4.746 6.338 0.732 151 HA VAL 22 HA VAL 22 -3.901 5.377 -1.905 152 HB VAL 22 HB VAL 22 -1.821 6.467 0.018 153 1HG1 VAL 22 1HG1 VAL 22 -1.046 4.763 -1.630 154 2HG1 VAL 22 2HG1 VAL 22 -1.418 5.937 -2.916 155 3HG1 VAL 22 3HG1 VAL 22 -0.233 6.327 -1.678 156 1HG2 VAL 22 1HG2 VAL 22 -1.505 8.372 -1.546 157 2HG2 VAL 22 2HG2 VAL 22 -3.051 8.440 -0.695 158 3HG2 VAL 22 3HG2 VAL 22 -2.989 7.915 -2.391 159 H LEU 23 H LEU 23 -2.998 3.282 -1.796 160 HA LEU 23 HA LEU 23 -2.621 2.120 0.961 161 1HB LEU 23 1HB LEU 23 -4.776 1.460 0.089 162 2HB LEU 23 2HB LEU 23 -4.065 0.736 -1.343 163 HG LEU 23 HG LEU 23 -2.948 -0.181 1.285 164 1HD1 LEU 23 1HD1 LEU 23 -3.987 -1.615 -1.209 165 2HD1 LEU 23 2HD1 LEU 23 -3.213 -2.426 0.147 166 3HD1 LEU 23 3HD1 LEU 23 -2.277 -1.292 -0.834 167 1HD2 LEU 23 1HD2 LEU 23 -5.396 0.043 1.802 168 2HD2 LEU 23 2HD2 LEU 23 -4.792 -1.619 1.863 169 3HD2 LEU 23 3HD2 LEU 23 -5.736 -1.078 0.468 170 H VAL 24 H VAL 24 -0.407 2.065 1.009 171 HA VAL 24 HA VAL 24 1.068 1.331 -1.492 172 HB VAL 24 HB VAL 24 2.139 2.470 1.111 173 1HG1 VAL 24 1HG1 VAL 24 4.159 2.920 -0.282 174 2HG1 VAL 24 2HG1 VAL 24 3.834 1.193 -0.136 175 3HG1 VAL 24 3HG1 VAL 24 3.409 2.051 -1.632 176 1HG2 VAL 24 1HG2 VAL 24 1.656 3.888 -1.544 177 2HG2 VAL 24 2HG2 VAL 24 0.669 4.118 -0.084 178 3HG2 VAL 24 3HG2 VAL 24 2.372 4.575 -0.073 179 H ASP 25 HN ASP 25 1.686 -0.793 -1.669 180 HA ASP 25 HA ASP 25 1.922 -2.455 0.789 181 1HB ASP 25 2HB ASP 25 0.565 -3.425 -0.965 182 2HB ASP 25 1HB ASP 25 1.844 -3.147 -2.154 183 H PHE 26 H PHE 26 3.943 -2.321 1.711 184 HA PHE 26 HA PHE 26 6.299 -1.680 0.043 185 1HB PHE 26 2HB PHE 26 5.917 -2.377 2.966 186 2HB PHE 26 1HB PHE 26 7.491 -2.257 2.212 187 HD1 PHE 26 HD1 PHE 26 8.646 -0.232 2.287 188 HD2 PHE 26 HD2 PHE 26 4.336 -0.179 2.553 189 HE1 PHE 26 HE1 PHE 26 8.703 2.172 2.886 190 HE2 PHE 26 HE2 PHE 26 4.405 2.233 3.081 191 HZ PHE 26 HZ PHE 26 6.588 3.394 3.355 192 H TRP 27 H TRP 27 6.988 -3.308 -1.279 193 HA TRP 27 HA TRP 27 6.734 -6.138 -0.361 194 1HB TRP 27 2HB TRP 27 6.047 -6.813 -2.535 195 2HB TRP 27 1HB TRP 27 5.033 -5.443 -2.135 196 HD1 TRP 27 HD1 TRP 27 6.012 -3.057 -3.253 197 HE1 TRP 27 HE1 TRP 27 7.338 -2.590 -5.439 198 HE3 TRP 27 HE3 TRP 27 7.181 -7.872 -4.543 199 HZ2 TRP 27 HZ2 TRP 27 8.944 -4.121 -7.280 200 HZ3 TRP 27 HZ3 TRP 27 8.458 -8.323 -6.588 201 HH2 TRP 27 HH2 TRP 27 9.363 -6.466 -7.959 202 H ALA 28 H ALA 28 7.989 -7.443 -2.308 203 HA ALA 28 HA ALA 28 10.296 -6.246 -3.393 204 1HB ALA 28 1HB ALA 28 10.812 -8.050 -0.982 205 2HB ALA 28 2HB ALA 28 12.047 -7.479 -2.116 206 3HB ALA 28 3HB ALA 28 11.216 -6.316 -1.075 207 HA PRO 29 HA PRO 29 9.697 -9.981 -5.758 208 1HB PRO 29 1HB PRO 29 12.255 -10.578 -6.633 209 2HB PRO 29 2HB PRO 29 11.159 -9.331 -7.324 210 1HG PRO 29 1HG PRO 29 13.365 -8.914 -5.271 211 2HG PRO 29 2HG PRO 29 13.079 -7.985 -6.776 212 1HD PRO 29 2HD PRO 29 12.116 -6.985 -4.479 213 2HD PRO 29 1HD PRO 29 11.058 -7.047 -5.887 214 H TRP 30 H TRP 30 12.277 -10.063 -3.258 215 HA TRP 30 HA TRP 30 12.190 -12.980 -3.094 216 1HB TRP 30 2HB TRP 30 13.473 -12.579 -0.983 217 2HB TRP 30 1HB TRP 30 14.199 -11.981 -2.464 218 HD1 TRP 30 HD1 TRP 30 15.054 -9.609 -2.461 219 HE1 TRP 30 HE1 TRP 30 15.022 -7.612 -0.843 220 HE3 TRP 30 HE3 TRP 30 11.702 -11.411 0.976 221 HZ2 TRP 30 HZ2 TRP 30 13.595 -6.846 1.548 222 HZ3 TRP 30 HZ3 TRP 30 11.010 -10.011 2.887 223 HH2 TRP 30 HH2 TRP 30 11.892 -7.706 3.142 224 H CYS 31 H CYS 31 9.973 -10.533 -2.121 225 HA CYS 31 HA CYS 31 9.176 -11.896 0.377 226 1HB CYS 31 2HB CYS 31 9.212 -9.475 0.329 227 2HB CYS 31 1HB CYS 31 8.031 -9.461 -0.988 228 H GLY 32 H GLY 32 8.710 -13.900 -0.673 229 1HA GLY 32 1HA GLY 32 6.847 -14.659 -2.498 230 2HA GLY 32 2HA GLY 32 7.022 -15.482 -0.943 231 HA PRO 33 HA PRO 33 3.017 -14.265 0.370 232 1HB PRO 33 2HB PRO 33 3.136 -12.441 2.478 233 2HB PRO 33 1HB PRO 33 3.286 -14.214 2.593 234 1HG PRO 33 2HG PRO 33 5.494 -12.173 2.512 235 2HG PRO 33 1HG PRO 33 5.364 -13.634 3.520 236 1HD PRO 33 1HD PRO 33 6.885 -13.515 1.295 237 2HD PRO 33 2HD PRO 33 6.012 -15.023 1.686 238 H CYS 34 H CYS 34 5.128 -11.422 0.001 239 HA CYS 34 HA CYS 34 3.041 -9.484 -0.445 240 1HB CYS 34 2HB CYS 34 5.799 -9.400 -1.715 241 2HB CYS 34 1HB CYS 34 4.621 -8.117 -1.490 242 H ARG 35 HN ARG 35 5.073 -11.455 -2.659 243 HA ARG 35 HA ARG 35 3.911 -10.597 -5.086 244 1HB ARG 35 2HB ARG 35 5.326 -13.141 -4.209 245 2HB ARG 35 1HB ARG 35 4.716 -12.932 -5.855 246 1HG ARG 35 2HG ARG 35 6.081 -11.018 -6.263 247 2HG ARG 35 1HG ARG 35 6.501 -10.844 -4.550 248 1HD ARG 35 1HD ARG 35 8.316 -11.799 -5.939 249 2HD ARG 35 2HD ARG 35 7.846 -12.814 -4.556 250 HE ARG 35 HE ARG 35 6.404 -13.633 -6.879 251 1HH1 ARG 35 2HH1 ARG 35 9.706 -13.564 -5.613 252 2HH1 ARG 35 1HH1 ARG 35 10.203 -15.028 -6.419 253 1HH2 ARG 35 2HH2 ARG 35 7.042 -15.546 -7.962 254 2HH2 ARG 35 1HH2 ARG 35 8.663 -16.164 -7.801 255 H ILE 36 H ILE 36 2.942 -13.445 -3.037 256 HA ILE 36 HA ILE 36 0.793 -14.024 -4.944 257 HB ILE 36 HB ILE 36 0.104 -15.785 -3.449 258 1HG1 ILE 36 2HG1 ILE 36 1.842 -16.185 -1.461 259 2HG1 ILE 36 1HG1 ILE 36 1.918 -14.428 -1.483 260 1HG2 ILE 36 1HG2 ILE 36 2.122 -17.117 -3.607 261 2HG2 ILE 36 2HG2 ILE 36 2.019 -16.061 -5.022 262 3HG2 ILE 36 3HG2 ILE 36 3.142 -15.670 -3.701 263 1HD1 ILE 36 1HD1 ILE 36 -0.547 -16.199 -1.110 264 2HD1 ILE 36 2HD1 ILE 36 0.240 -15.210 0.134 265 3HD1 ILE 36 3HD1 ILE 36 -0.633 -14.434 -1.200 266 H ILE 37 H ILE 37 0.968 -11.916 -2.099 267 HA ILE 37 HA ILE 37 -1.931 -11.622 -1.959 268 HB ILE 37 HB ILE 37 0.467 -10.251 -0.684 269 1HG1 ILE 37 1HG1 ILE 37 -0.177 -12.573 0.081 270 2HG1 ILE 37 2HG1 ILE 37 -0.225 -11.335 1.323 271 1HG2 ILE 37 1HG2 ILE 37 -1.281 -9.224 0.892 272 2HG2 ILE 37 2HG2 ILE 37 -2.439 -9.464 -0.438 273 3HG2 ILE 37 3HG2 ILE 37 -0.968 -8.472 -0.661 274 1HD1 ILE 37 1HD1 ILE 37 -2.646 -12.509 -0.128 275 2HD1 ILE 37 2HD1 ILE 37 -2.710 -11.248 1.125 276 3HD1 ILE 37 3HD1 ILE 37 -2.112 -12.869 1.510 277 H ALA 38 H ALA 38 0.697 -9.838 -3.533 278 HA ALA 38 HA ALA 38 -0.297 -7.496 -4.281 279 1HB ALA 38 1HB ALA 38 1.095 -9.396 -6.214 280 2HB ALA 38 2HB ALA 38 1.875 -8.365 -4.998 281 3HB ALA 38 3HB ALA 38 0.991 -7.636 -6.348 282 HA PRO 39 HA PRO 39 -3.010 -9.010 -7.978 283 1HB PRO 39 2HB PRO 39 -4.018 -11.666 -7.039 284 2HB PRO 39 1HB PRO 39 -3.518 -11.177 -8.679 285 1HG PRO 39 1HG PRO 39 -1.941 -12.817 -7.163 286 2HG PRO 39 2HG PRO 39 -1.208 -11.512 -8.148 287 1HD PRO 39 1HD PRO 39 -1.988 -11.394 -5.219 288 2HD PRO 39 2HD PRO 39 -0.393 -11.038 -5.940 289 H VAL 40 H VAL 40 -3.599 -10.188 -4.691 290 HA VAL 40 HA VAL 40 -6.432 -9.750 -4.572 291 HB VAL 40 HB VAL 40 -4.515 -9.848 -2.209 292 1HG1 VAL 40 1HG1 VAL 40 -7.384 -10.702 -2.600 293 2HG1 VAL 40 2HG1 VAL 40 -6.845 -9.212 -1.781 294 3HG1 VAL 40 3HG1 VAL 40 -6.442 -10.798 -1.090 295 1HG2 VAL 40 1HG2 VAL 40 -4.956 -12.313 -2.194 296 2HG2 VAL 40 2HG2 VAL 40 -5.711 -12.172 -3.794 297 3HG2 VAL 40 3HG2 VAL 40 -3.979 -11.842 -3.582 298 H VAL 41 H VAL 41 -3.504 -8.015 -3.518 299 HA VAL 41 HA VAL 41 -4.630 -5.659 -2.441 300 HB VAL 41 HB VAL 41 -2.058 -6.050 -4.033 301 1HG1 VAL 41 1HG1 VAL 41 -0.932 -6.284 -1.939 302 2HG1 VAL 41 2HG1 VAL 41 -2.417 -5.912 -1.027 303 3HG1 VAL 41 3HG1 VAL 41 -2.294 -7.408 -1.961 304 1HG2 VAL 41 1HG2 VAL 41 -1.224 -4.010 -2.840 305 2HG2 VAL 41 2HG2 VAL 41 -2.417 -3.746 -4.105 306 3HG2 VAL 41 3HG2 VAL 41 -2.905 -3.664 -2.386 307 H ASP 42 HN ASP 42 -3.643 -6.353 -5.834 308 HA ASP 42 HA ASP 42 -4.464 -3.859 -6.875 309 1HB ASP 42 2HB ASP 42 -3.018 -5.547 -8.047 310 2HB ASP 42 1HB ASP 42 -4.435 -6.531 -8.361 311 H GLU 43 HN GLU 43 -6.223 -7.006 -7.132 312 HA GLU 43 HA GLU 43 -8.459 -5.867 -8.408 313 1HB GLU 43 1HB GLU 43 -9.611 -7.865 -7.990 314 2HB GLU 43 2HB GLU 43 -7.925 -8.291 -8.283 315 1HG GLU 43 1HG GLU 43 -7.613 -8.433 -5.804 316 2HG GLU 43 2HG GLU 43 -9.353 -8.199 -5.584 317 H ILE 44 H ILE 44 -7.926 -6.285 -4.836 318 HA ILE 44 HA ILE 44 -10.436 -5.191 -4.035 319 HB ILE 44 HB ILE 44 -7.655 -5.180 -2.783 320 1HG1 ILE 44 2HG1 ILE 44 -10.261 -6.684 -2.217 321 2HG1 ILE 44 1HG1 ILE 44 -8.839 -7.364 -2.999 322 1HG2 ILE 44 1HG2 ILE 44 -8.879 -3.180 -1.930 323 2HG2 ILE 44 2HG2 ILE 44 -10.238 -4.236 -1.477 324 3HG2 ILE 44 3HG2 ILE 44 -8.653 -4.374 -0.689 325 1HD1 ILE 44 1HD1 ILE 44 -7.512 -6.836 -0.919 326 2HD1 ILE 44 2HD1 ILE 44 -9.061 -6.416 -0.126 327 3HD1 ILE 44 3HD1 ILE 44 -8.774 -8.051 -0.682 328 H ALA 45 H ALA 45 -7.274 -3.586 -4.747 329 HA ALA 45 HA ALA 45 -8.232 -0.968 -4.291 330 1HB ALA 45 1HB ALA 45 -6.125 -1.778 -6.339 331 2HB ALA 45 2HB ALA 45 -5.858 -1.716 -4.577 332 3HB ALA 45 3HB ALA 45 -6.346 -0.250 -5.462 333 H GLY 46 H GLY 46 -8.485 -3.040 -7.168 334 1HA GLY 46 2HA GLY 46 -9.493 -1.155 -9.037 335 2HA GLY 46 1HA GLY 46 -9.822 -2.901 -9.014 336 H GLU 47 HN GLU 47 -11.130 -3.323 -6.672 337 HA GLU 47 HA GLU 47 -13.793 -2.464 -7.153 338 1HB GLU 47 2HB GLU 47 -12.524 -3.496 -4.573 339 2HB GLU 47 1HB GLU 47 -14.245 -3.276 -4.831 340 1HG GLU 47 1HG GLU 47 -14.255 -4.896 -6.665 341 2HG GLU 47 2HG GLU 47 -12.504 -5.084 -6.578 342 H TYR 48 H TYR 48 -11.383 -1.206 -4.845 343 HA TYR 48 HA TYR 48 -13.104 1.149 -4.216 344 1HB TYR 48 1HB TYR 48 -10.332 0.381 -3.264 345 2HB TYR 48 2HB TYR 48 -11.258 1.791 -2.726 346 HD1 TYR 48 HD1 TYR 48 -10.748 -1.751 -2.207 347 HD2 TYR 48 HD2 TYR 48 -13.544 1.465 -1.612 348 HE1 TYR 48 HE1 TYR 48 -12.346 -3.329 -1.137 349 HE2 TYR 48 HE2 TYR 48 -15.067 -0.075 -0.421 350 HH TYR 48 HH TYR 48 -15.565 -2.356 0.015 351 H LYS 49 HN LYS 49 -13.058 1.291 -6.656 352 HA LYS 49 HA LYS 49 -10.989 2.679 -8.005 353 1HB LYS 49 1HB LYS 49 -13.010 3.537 -9.431 354 2HB LYS 49 2HB LYS 49 -12.501 1.855 -9.462 355 1HG LYS 49 2HG LYS 49 -14.912 2.083 -9.467 356 2HG LYS 49 1HG LYS 49 -14.339 1.134 -8.115 357 1HD LYS 49 1HD LYS 49 -14.628 3.249 -6.656 358 2HD LYS 49 2HD LYS 49 -15.283 4.048 -8.093 359 1HE LYS 49 2HE LYS 49 -17.149 3.281 -6.801 360 2HE LYS 49 1HE LYS 49 -17.030 2.171 -8.175 361 1HZ LYS 49 1HZ LYS 49 -15.804 0.670 -6.668 362 2HZ LYS 49 2HZ LYS 49 -17.347 0.971 -6.165 363 3HZ LYS 49 3HZ LYS 49 -16.071 1.711 -5.432 364 H ASP 50 HN ASP 50 -10.888 4.818 -8.675 365 HA ASP 50 HA ASP 50 -10.635 7.011 -8.525 366 1HB ASP 50 1HB ASP 50 -13.229 6.930 -6.924 367 2HB ASP 50 2HB ASP 50 -12.460 8.378 -7.574 368 H LYS 51 HN LYS 51 -11.656 5.876 -5.319 369 HA LYS 51 HA LYS 51 -10.150 8.061 -4.053 370 1HB LYS 51 1HB LYS 51 -11.540 5.774 -2.665 371 2HB LYS 51 2HB LYS 51 -11.037 7.277 -1.962 372 1HG LYS 51 2HG LYS 51 -12.653 8.562 -3.099 373 2HG LYS 51 1HG LYS 51 -13.088 7.285 -4.232 374 1HD LYS 51 1HD LYS 51 -13.443 6.719 -1.288 375 2HD LYS 51 2HD LYS 51 -14.568 7.826 -2.075 376 1HE LYS 51 1HE LYS 51 -15.413 5.504 -2.075 377 2HE LYS 51 2HE LYS 51 -15.247 6.174 -3.705 378 1HZ LYS 51 1HZ LYS 51 -13.306 4.378 -2.429 379 2HZ LYS 51 2HZ LYS 51 -13.252 4.938 -3.984 380 3HZ LYS 51 3HZ LYS 51 -14.456 3.923 -3.517 381 H LEU 52 H LEU 52 -9.931 4.502 -4.008 382 HA LEU 52 HA LEU 52 -7.610 4.752 -2.190 383 1HB LEU 52 2HB LEU 52 -9.379 2.964 -1.985 384 2HB LEU 52 1HB LEU 52 -8.679 2.207 -3.408 385 HG LEU 52 HG LEU 52 -6.396 2.446 -2.016 386 1HD1 LEU 52 1HD1 LEU 52 -6.788 2.247 0.430 387 2HD1 LEU 52 2HD1 LEU 52 -7.422 3.782 -0.162 388 3HD1 LEU 52 3HD1 LEU 52 -8.519 2.425 0.179 389 1HD2 LEU 52 1HD2 LEU 52 -6.844 0.226 -0.994 390 2HD2 LEU 52 2HD2 LEU 52 -7.343 0.316 -2.685 391 3HD2 LEU 52 3HD2 LEU 52 -8.566 0.397 -1.393 392 H LYS 53 HN LYS 53 -5.886 5.709 -3.241 393 HA LYS 53 HA LYS 53 -5.006 4.705 -5.832 394 1HB LYS 53 1HB LYS 53 -4.776 7.079 -4.694 395 2HB LYS 53 2HB LYS 53 -3.287 6.424 -4.060 396 1HG LYS 53 2HG LYS 53 -4.095 6.527 -7.001 397 2HG LYS 53 1HG LYS 53 -2.991 7.646 -6.197 398 1HD LYS 53 1HD LYS 53 -1.385 5.882 -5.738 399 2HD LYS 53 2HD LYS 53 -2.441 4.640 -6.428 400 1HE LYS 53 2HE LYS 53 -1.344 6.987 -8.022 401 2HE LYS 53 1HE LYS 53 -0.627 5.367 -7.968 402 1HZ LYS 53 1HZ LYS 53 -3.341 5.978 -8.905 403 2HZ LYS 53 2HZ LYS 53 -2.043 5.612 -9.850 404 3HZ LYS 53 3HZ LYS 53 -2.664 4.479 -8.828 405 H CYS 54 H CYS 54 -4.773 2.448 -5.430 406 HA CYS 54 HA CYS 54 -3.044 1.628 -3.239 407 1HB CYS 54 2HB CYS 54 -4.863 0.250 -4.019 408 2HB CYS 54 1HB CYS 54 -4.078 0.079 -5.599 409 HG CYS 54 HG CYS 54 -3.758 -2.105 -4.244 410 H VAL 55 H VAL 55 -0.893 0.598 -3.502 411 HA VAL 55 HA VAL 55 0.445 0.893 -6.021 412 HB VAL 55 HB VAL 55 2.055 2.412 -4.102 413 1HG1 VAL 55 1HG1 VAL 55 -0.086 3.190 -3.113 414 2HG1 VAL 55 2HG1 VAL 55 -0.516 3.883 -4.698 415 3HG1 VAL 55 3HG1 VAL 55 0.907 4.462 -3.836 416 1HG2 VAL 55 1HG2 VAL 55 2.059 4.076 -5.929 417 2HG2 VAL 55 2HG2 VAL 55 0.814 3.147 -6.780 418 3HG2 VAL 55 3HG2 VAL 55 2.425 2.440 -6.498 419 H LYS 56 HN LYS 56 2.714 0.251 -5.869 420 HA LYS 56 HA LYS 56 3.308 -1.507 -3.527 421 1HB LYS 56 2HB LYS 56 3.360 -1.959 -6.493 422 2HB LYS 56 1HB LYS 56 4.437 -2.881 -5.433 423 1HG LYS 56 2HG LYS 56 2.710 -3.849 -4.205 424 2HG LYS 56 1HG LYS 56 1.471 -2.736 -4.794 425 1HD LYS 56 2HD LYS 56 2.911 -4.527 -6.769 426 2HD LYS 56 1HD LYS 56 1.686 -5.206 -5.689 427 1HE LYS 56 1HE LYS 56 0.546 -4.618 -7.720 428 2HE LYS 56 2HE LYS 56 0.034 -3.502 -6.450 429 1HZ LYS 56 1HZ LYS 56 0.481 -2.423 -8.548 430 2HZ LYS 56 2HZ LYS 56 1.504 -1.865 -7.395 431 3HZ LYS 56 3HZ LYS 56 2.044 -2.939 -8.521 432 H LEU 57 H LEU 57 5.109 -0.975 -2.547 433 HA LEU 57 HA LEU 57 7.169 0.694 -3.943 434 1HB LEU 57 1HB LEU 57 6.049 1.770 -2.007 435 2HB LEU 57 2HB LEU 57 6.565 0.410 -0.986 436 HG LEU 57 HG LEU 57 8.862 0.969 -1.174 437 1HD1 LEU 57 1HD1 LEU 57 8.794 2.848 0.186 438 2HD1 LEU 57 2HD1 LEU 57 7.140 2.226 0.345 439 3HD1 LEU 57 3HD1 LEU 57 7.459 3.607 -0.710 440 1HD2 LEU 57 1HD2 LEU 57 9.101 1.818 -3.399 441 2HD2 LEU 57 2HD2 LEU 57 9.463 3.181 -2.315 442 3HD2 LEU 57 3HD2 LEU 57 7.894 3.105 -3.127 443 H ASN 58 H ASN 58 9.012 -0.378 -4.462 444 HA ASN 58 HA ASN 58 9.521 -3.039 -3.351 445 1HB ASN 58 2HB ASN 58 10.041 -2.512 -5.668 446 2HB ASN 58 1HB ASN 58 11.211 -1.306 -5.153 447 1HD2 ASN 58 2HD2 ASN 58 11.054 -4.362 -6.330 448 2HD2 ASN 58 1HD2 ASN 58 12.487 -5.045 -5.579 449 H THR 59 H THR 59 10.310 -3.322 -1.441 450 HA THR 59 HA THR 59 11.250 -1.179 0.235 451 HB THR 59 HB THR 59 11.206 -4.202 0.786 452 HG1 THR 59 HG1 THR 59 9.201 -3.557 0.090 453 1HG2 THR 59 1HG2 THR 59 10.979 -1.771 2.620 454 2HG2 THR 59 2HG2 THR 59 12.380 -2.861 2.525 455 3HG2 THR 59 3HG2 THR 59 10.821 -3.469 3.110 456 H ASP 60 HN ASP 60 12.850 -3.561 -1.776 457 HA ASP 60 HA ASP 60 15.409 -3.486 -0.357 458 1HB ASP 60 1HB ASP 60 14.270 -5.370 -1.790 459 2HB ASP 60 2HB ASP 60 14.902 -4.495 -3.179 460 H GLU 61 HN GLU 61 13.914 -2.182 -3.230 461 HA GLU 61 HA GLU 61 16.175 -0.637 -4.217 462 1HB GLU 61 2HB GLU 61 14.427 -1.813 -5.586 463 2HB GLU 61 1HB GLU 61 13.235 -0.677 -4.918 464 1HG GLU 61 2HG GLU 61 14.345 1.201 -6.057 465 2HG GLU 61 1HG GLU 61 15.613 0.105 -6.636 466 H SER 62 H SER 62 13.362 -0.010 -2.154 467 HA SER 62 HA SER 62 14.160 2.849 -1.832 468 1HB SER 62 1HB SER 62 11.346 1.770 -2.293 469 2HB SER 62 2HB SER 62 11.800 3.380 -1.743 470 HG SER 62 HG SER 62 13.366 2.835 -3.803 471 HA PRO 63 HA PRO 63 13.923 0.373 2.168 472 1HB PRO 63 2HB PRO 63 16.496 0.798 2.972 473 2HB PRO 63 1HB PRO 63 16.029 -0.432 1.768 474 1HG PRO 63 2HG PRO 63 17.166 2.269 1.118 475 2HG PRO 63 1HG PRO 63 17.707 0.667 0.551 476 1HD PRO 63 1HD PRO 63 15.970 2.122 -0.935 477 2HD PRO 63 2HD PRO 63 15.794 0.365 -0.797 478 H ASN 64 H ASN 64 15.418 3.256 1.162 479 HA ASN 64 HA ASN 64 15.717 5.118 3.078 480 1HB ASN 64 2HB ASN 64 13.995 5.511 0.598 481 2HB ASN 64 1HB ASN 64 14.546 6.816 1.659 482 1HD2 ASN 64 1HD2 ASN 64 15.389 7.501 -0.513 483 2HD2 ASN 64 2HD2 ASN 64 17.025 6.971 -0.938 484 H VAL 65 H VAL 65 12.440 5.021 1.770 485 HA VAL 65 HA VAL 65 11.503 6.389 3.996 486 HB VAL 65 HB VAL 65 9.171 5.437 2.873 487 1HG1 VAL 65 1HG1 VAL 65 9.447 7.524 1.368 488 2HG1 VAL 65 2HG1 VAL 65 11.181 7.517 1.751 489 3HG1 VAL 65 3HG1 VAL 65 10.001 7.869 3.028 490 1HG2 VAL 65 1HG2 VAL 65 11.015 5.331 0.522 491 2HG2 VAL 65 2HG2 VAL 65 9.270 5.083 0.628 492 3HG2 VAL 65 3HG2 VAL 65 10.367 3.923 1.407 493 H ALA 66 H ALA 66 11.670 2.974 3.202 494 HA ALA 66 HA ALA 66 9.858 1.924 5.162 495 1HB ALA 66 1HB ALA 66 12.424 0.618 4.133 496 2HB ALA 66 2HB ALA 66 10.875 0.610 3.270 497 3HB ALA 66 3HB ALA 66 11.039 -0.187 4.844 498 H SER 67 H SER 67 13.263 2.925 5.283 499 HA SER 67 HA SER 67 13.750 2.099 7.994 500 1HB SER 67 2HB SER 67 15.206 4.250 6.391 501 2HB SER 67 1HB SER 67 15.810 3.331 7.776 502 HG SER 67 HG SER 67 15.063 2.246 5.241 503 H GLU 68 HN GLU 68 12.914 5.188 6.437 504 HA GLU 68 HA GLU 68 12.856 6.847 8.735 505 1HB GLU 68 2HB GLU 68 11.161 6.928 6.205 506 2HB GLU 68 1HB GLU 68 11.206 8.214 7.402 507 1HG GLU 68 1HG GLU 68 13.494 8.728 6.974 508 2HG GLU 68 2HG GLU 68 13.767 7.237 6.074 509 H TYR 69 H TYR 69 10.253 4.823 7.338 510 HA TYR 69 HA TYR 69 8.328 5.564 9.397 511 1HB TYR 69 2HB TYR 69 8.422 3.553 7.130 512 2HB TYR 69 1HB TYR 69 7.157 3.473 8.339 513 HD1 TYR 69 HD1 TYR 69 7.987 4.910 5.203 514 HD2 TYR 69 HD2 TYR 69 5.797 5.645 8.840 515 HE1 TYR 69 HE1 TYR 69 6.814 6.771 4.111 516 HE2 TYR 69 HE2 TYR 69 4.471 7.397 7.669 517 HH TYR 69 HH TYR 69 5.163 8.390 4.319 518 H GLY 70 H GLY 70 10.568 2.823 8.906 519 1HA GLY 70 1HA GLY 70 11.489 1.610 10.746 520 2HA GLY 70 2HA GLY 70 10.049 1.954 11.721 521 H ILE 71 H ILE 71 10.723 0.595 8.489 522 HA ILE 71 HA ILE 71 8.913 -1.716 9.030 523 HB ILE 71 HB ILE 71 9.481 -0.329 6.380 524 1HG1 ILE 71 1HG1 ILE 71 7.035 0.035 8.163 525 2HG1 ILE 71 2HG1 ILE 71 8.288 1.232 7.839 526 1HG2 ILE 71 1HG2 ILE 71 7.451 -2.446 7.218 527 2HG2 ILE 71 2HG2 ILE 71 7.498 -1.671 5.617 528 3HG2 ILE 71 3HG2 ILE 71 8.833 -2.681 6.133 529 1HD1 ILE 71 1HD1 ILE 71 6.286 0.216 5.825 530 2HD1 ILE 71 2HD1 ILE 71 7.809 0.998 5.368 531 3HD1 ILE 71 3HD1 ILE 71 6.641 1.872 6.348 532 H ARG 72 HN ARG 72 9.684 -3.708 8.235 533 HA ARG 72 HA ARG 72 12.199 -3.861 6.768 534 1HB ARG 72 1HB ARG 72 13.204 -3.818 8.939 535 2HB ARG 72 2HB ARG 72 11.939 -4.832 9.644 536 1HG ARG 72 1HG ARG 72 14.023 -6.090 9.354 537 2HG ARG 72 2HG ARG 72 12.715 -6.793 8.414 538 1HD ARG 72 1HD ARG 72 13.702 -5.455 6.373 539 2HD ARG 72 2HD ARG 72 15.058 -5.108 7.434 540 HE ARG 72 HE ARG 72 15.781 -7.287 7.252 541 1HH1 ARG 72 1HH1 ARG 72 12.502 -7.064 5.827 542 2HH1 ARG 72 2HH1 ARG 72 12.604 -8.645 5.112 543 1HH2 ARG 72 1HH2 ARG 72 15.862 -9.330 6.282 544 2HH2 ARG 72 2HH2 ARG 72 14.520 -9.938 5.353 545 H SER 73 H SER 73 10.127 -5.995 8.870 546 HA SER 73 HA SER 73 9.997 -8.069 6.975 547 1HB SER 73 1HB SER 73 7.751 -7.503 8.874 548 2HB SER 73 2HB SER 73 8.534 -9.049 8.512 549 HG SER 73 HG SER 73 9.157 -8.245 10.590 550 H ILE 74 H ILE 74 8.257 -8.583 5.493 551 HA ILE 74 HA ILE 74 6.262 -6.576 4.968 552 HB ILE 74 HB ILE 74 6.988 -6.668 2.439 553 1HG1 ILE 74 2HG1 ILE 74 9.775 -6.828 3.569 554 2HG1 ILE 74 1HG1 ILE 74 8.970 -8.256 2.907 555 1HG2 ILE 74 1HG2 ILE 74 6.894 -4.652 3.953 556 2HG2 ILE 74 2HG2 ILE 74 8.587 -4.951 4.395 557 3HG2 ILE 74 3HG2 ILE 74 8.156 -4.547 2.736 558 1HD1 ILE 74 1HD1 ILE 74 9.401 -5.687 1.359 559 2HD1 ILE 74 2HD1 ILE 74 10.284 -7.194 1.155 560 3HD1 ILE 74 3HD1 ILE 74 8.565 -7.141 0.782 561 HA PRO 75 HA PRO 75 4.806 -6.663 2.616 562 1HB PRO 75 1HB PRO 75 2.099 -7.068 2.777 563 2HB PRO 75 2HB PRO 75 3.163 -7.710 1.510 564 1HG PRO 75 1HG PRO 75 2.196 -9.070 4.039 565 2HG PRO 75 2HG PRO 75 2.181 -9.753 2.385 566 1HD PRO 75 2HD PRO 75 4.168 -10.382 4.157 567 2HD PRO 75 1HD PRO 75 4.535 -10.102 2.447 568 H THR 76 H THR 76 4.206 -4.826 3.346 569 HA THR 76 HA THR 76 2.925 -4.421 5.973 570 HB THR 76 HB THR 76 5.557 -3.126 5.150 571 HG1 THR 76 HG1 THR 76 6.171 -4.734 6.460 572 1HG2 THR 76 1HG2 THR 76 4.071 -1.371 5.998 573 2HG2 THR 76 2HG2 THR 76 5.236 -1.790 7.260 574 3HG2 THR 76 3HG2 THR 76 3.583 -2.410 7.356 575 H ILE 77 H ILE 77 1.096 -3.726 5.122 576 HA ILE 77 HA ILE 77 1.021 -2.082 2.658 577 HB ILE 77 HB ILE 77 -1.079 -3.691 4.140 578 1HG1 ILE 77 1HG1 ILE 77 0.177 -4.158 1.402 579 2HG1 ILE 77 2HG1 ILE 77 0.680 -5.000 2.871 580 1HG2 ILE 77 1HG2 ILE 77 -2.063 -1.678 3.039 581 2HG2 ILE 77 2HG2 ILE 77 -2.553 -3.155 2.232 582 3HG2 ILE 77 3HG2 ILE 77 -1.267 -2.143 1.522 583 1HD1 ILE 77 1HD1 ILE 77 -1.635 -5.893 3.141 584 2HD1 ILE 77 2HD1 ILE 77 -0.791 -6.443 1.680 585 3HD1 ILE 77 3HD1 ILE 77 -2.046 -5.205 1.550 586 H MET 78 H MET 78 1.283 0.054 3.242 587 HA MET 78 HA MET 78 0.019 1.003 5.775 588 1HB MET 78 2HB MET 78 1.725 2.546 3.858 589 2HB MET 78 1HB MET 78 1.132 3.076 5.422 590 1HG MET 78 2HG MET 78 2.370 1.117 6.454 591 2HG MET 78 1HG MET 78 3.200 0.911 4.914 592 1HE MET 78 1HE MET 78 4.919 3.000 8.246 593 2HE MET 78 2HE MET 78 4.646 1.314 7.745 594 3HE MET 78 3HE MET 78 3.292 2.309 8.327 595 H VAL 79 H VAL 79 -1.410 2.668 5.744 596 HA VAL 79 HA VAL 79 -3.021 3.079 3.250 597 HB VAL 79 HB VAL 79 -3.931 2.837 6.143 598 1HG1 VAL 79 1HG1 VAL 79 -3.650 0.687 4.955 599 2HG1 VAL 79 2HG1 VAL 79 -4.678 1.285 3.636 600 3HG1 VAL 79 3HG1 VAL 79 -5.361 1.030 5.255 601 1HG2 VAL 79 1HG2 VAL 79 -6.219 3.363 5.289 602 2HG2 VAL 79 2HG2 VAL 79 -5.513 3.789 3.712 603 3HG2 VAL 79 3HG2 VAL 79 -5.144 4.739 5.151 604 H PHE 80 H PHE 80 -3.459 5.171 2.780 605 HA PHE 80 HA PHE 80 -2.841 7.311 4.739 606 1HB PHE 80 1HB PHE 80 -2.297 7.487 1.767 607 2HB PHE 80 2HB PHE 80 -1.887 8.670 2.971 608 HD1 PHE 80 HD1 PHE 80 0.310 8.680 3.932 609 HD2 PHE 80 HD2 PHE 80 -1.074 5.151 1.879 610 HE1 PHE 80 HE1 PHE 80 2.424 7.536 4.474 611 HE2 PHE 80 HE2 PHE 80 1.055 4.037 2.367 612 HZ PHE 80 HZ PHE 80 2.804 5.189 3.728 613 H LYS 81 HN LYS 81 -4.317 8.975 4.608 614 HA LYS 81 HA LYS 81 -6.849 8.312 3.117 615 1HB LYS 81 1HB LYS 81 -8.071 9.515 4.686 616 2HB LYS 81 2HB LYS 81 -7.032 8.401 5.564 617 1HG LYS 81 1HG LYS 81 -6.628 11.422 5.284 618 2HG LYS 81 2HG LYS 81 -7.293 10.556 6.672 619 1HD LYS 81 1HD LYS 81 -5.070 9.250 6.756 620 2HD LYS 81 2HD LYS 81 -4.440 10.502 5.668 621 1HE LYS 81 2HE LYS 81 -5.632 10.992 8.422 622 2HE LYS 81 1HE LYS 81 -3.912 10.997 8.010 623 1HZ LYS 81 1HZ LYS 81 -4.335 12.823 6.516 624 2HZ LYS 81 2HZ LYS 81 -5.931 12.836 6.927 625 3HZ LYS 81 3HZ LYS 81 -4.788 13.200 8.055 626 H GLY 82 H GLY 82 -4.329 10.715 3.442 627 1HA GLY 82 2HA GLY 82 -4.925 12.012 0.985 628 2HA GLY 82 1HA GLY 82 -5.571 12.975 2.342 629 H GLY 83 H GLY 83 -2.648 11.655 0.840 630 1HA GLY 83 1HA GLY 83 -0.497 12.225 1.028 631 2HA GLY 83 2HA GLY 83 -0.882 13.602 1.994 632 H LYS 84 HN LYS 84 -1.813 12.746 4.279 633 HA LYS 84 HA LYS 84 0.511 11.472 5.535 634 1HB LYS 84 2HB LYS 84 -2.049 12.344 6.893 635 2HB LYS 84 1HB LYS 84 -0.451 12.153 7.611 636 1HG LYS 84 2HG LYS 84 -1.325 14.311 5.637 637 2HG LYS 84 1HG LYS 84 -0.962 14.514 7.349 638 1HD LYS 84 1HD LYS 84 1.397 13.885 6.972 639 2HD LYS 84 2HD LYS 84 1.093 13.658 5.243 640 1HE LYS 84 2HE LYS 84 0.717 16.296 6.723 641 2HE LYS 84 1HE LYS 84 2.135 15.849 5.761 642 1HZ LYS 84 1HZ LYS 84 -0.603 16.086 4.733 643 2HZ LYS 84 2HZ LYS 84 0.714 15.632 3.854 644 3HZ LYS 84 3HZ LYS 84 0.629 17.149 4.488 645 H LYS 85 HN LYS 85 0.373 9.763 7.017 646 HA LYS 85 HA LYS 85 -0.964 7.452 5.924 647 1HB LYS 85 2HB LYS 85 1.385 7.631 7.007 648 2HB LYS 85 1HB LYS 85 0.517 7.604 8.557 649 1HG LYS 85 2HG LYS 85 -0.437 5.370 7.945 650 2HG LYS 85 1HG LYS 85 0.304 5.507 6.347 651 1HD LYS 85 2HD LYS 85 1.556 3.995 7.656 652 2HD LYS 85 1HD LYS 85 2.564 5.411 7.375 653 1HE LYS 85 1HE LYS 85 0.923 5.081 9.938 654 2HE LYS 85 2HE LYS 85 2.482 4.275 9.741 655 1HZ LYS 85 1HZ LYS 85 3.520 6.360 9.391 656 2HZ LYS 85 2HZ LYS 85 2.099 7.171 9.566 657 3HZ LYS 85 3HZ LYS 85 2.735 6.343 10.837 658 H CYS 86 H CYS 86 -2.340 6.038 7.157 659 HA CYS 86 HA CYS 86 -3.969 7.336 9.312 660 1HB CYS 86 2HB CYS 86 -5.091 7.115 6.957 661 2HB CYS 86 1HB CYS 86 -5.129 5.391 7.286 662 HG CYS 86 HG CYS 86 -6.084 5.881 9.855 663 H GLU 87 HN GLU 87 -3.252 4.194 7.700 664 HA GLU 87 HA GLU 87 -3.028 2.838 10.329 665 1HB GLU 87 2HB GLU 87 -4.782 1.766 8.080 666 2HB GLU 87 1HB GLU 87 -4.631 1.132 9.717 667 1HG GLU 87 1HG GLU 87 -5.980 3.755 8.892 668 2HG GLU 87 2HG GLU 87 -6.753 2.291 9.376 669 H THR 88 H THR 88 -2.459 0.371 9.783 670 HA THR 88 HA THR 88 -1.054 -0.049 7.302 671 HB THR 88 HB THR 88 0.460 0.098 9.954 672 HG1 THR 88 HG1 THR 88 0.068 1.897 8.035 673 1HG2 THR 88 1HG2 THR 88 1.379 -0.864 7.204 674 2HG2 THR 88 2HG2 THR 88 2.474 -0.459 8.547 675 3HG2 THR 88 3HG2 THR 88 1.339 -1.804 8.708 676 H ILE 89 H ILE 89 -1.080 -2.194 6.800 677 HA ILE 89 HA ILE 89 -1.951 -4.161 8.880 678 HB ILE 89 HB ILE 89 -2.261 -4.373 5.857 679 1HG1 ILE 89 2HG1 ILE 89 -4.417 -3.554 7.853 680 2HG1 ILE 89 1HG1 ILE 89 -3.633 -2.463 6.701 681 1HG2 ILE 89 1HG2 ILE 89 -2.212 -6.514 7.137 682 2HG2 ILE 89 2HG2 ILE 89 -3.539 -5.922 8.157 683 3HG2 ILE 89 3HG2 ILE 89 -3.790 -6.227 6.427 684 1HD1 ILE 89 1HD1 ILE 89 -5.680 -3.060 5.709 685 2HD1 ILE 89 2HD1 ILE 89 -5.433 -4.790 5.988 686 3HD1 ILE 89 3HD1 ILE 89 -4.416 -3.918 4.814 687 H ILE 90 H ILE 90 -0.617 -6.131 8.927 688 HA ILE 90 HA ILE 90 1.848 -6.060 7.262 689 HB ILE 90 HB ILE 90 1.737 -6.570 10.267 690 1HG1 ILE 90 2HG1 ILE 90 2.824 -4.212 8.660 691 2HG1 ILE 90 1HG1 ILE 90 1.464 -4.180 9.794 692 1HG2 ILE 90 1HG2 ILE 90 3.461 -7.928 9.064 693 2HG2 ILE 90 2HG2 ILE 90 4.200 -6.720 10.090 694 3HG2 ILE 90 3HG2 ILE 90 4.108 -6.441 8.338 695 1HD1 ILE 90 1HD1 ILE 90 4.390 -4.536 10.494 696 2HD1 ILE 90 2HD1 ILE 90 3.299 -3.214 10.920 697 3HD1 ILE 90 3HD1 ILE 90 3.051 -4.818 11.639 698 H GLY 91 H GLY 91 2.518 -8.048 6.587 699 1HA GLY 91 2HA GLY 91 2.628 -10.346 6.408 700 2HA GLY 91 1HA GLY 91 1.493 -10.531 7.754 701 H ALA 92 H ALA 92 1.102 -12.255 5.810 702 HA ALA 92 HA ALA 92 -0.570 -11.398 3.630 703 1HB ALA 92 1HB ALA 92 -0.251 -14.119 4.983 704 2HB ALA 92 2HB ALA 92 -1.050 -13.838 3.425 705 3HB ALA 92 3HB ALA 92 0.688 -13.524 3.594 706 H VAL 93 H VAL 93 -2.904 -11.870 3.390 707 HA VAL 93 HA VAL 93 -4.462 -12.142 5.859 708 HB VAL 93 HB VAL 93 -5.557 -10.078 4.214 709 1HG1 VAL 93 1HG1 VAL 93 -2.881 -9.282 5.480 710 2HG1 VAL 93 2HG1 VAL 93 -3.190 -9.339 3.725 711 3HG1 VAL 93 3HG1 VAL 93 -4.032 -8.168 4.742 712 1HG2 VAL 93 1HG2 VAL 93 -5.959 -8.802 6.056 713 2HG2 VAL 93 2HG2 VAL 93 -6.378 -10.484 6.342 714 3HG2 VAL 93 3HG2 VAL 93 -4.893 -9.826 7.068 715 HA PRO 94 HA PRO 94 -7.151 -13.780 2.570 716 1HB PRO 94 1HB PRO 94 -9.504 -13.575 4.297 717 2HB PRO 94 2HB PRO 94 -8.687 -15.046 3.711 718 1HG PRO 94 2HG PRO 94 -8.587 -14.291 6.378 719 2HG PRO 94 1HG PRO 94 -7.199 -15.079 5.563 720 1HD PRO 94 2HD PRO 94 -7.719 -12.128 5.888 721 2HD PRO 94 1HD PRO 94 -6.250 -12.977 6.378 722 H LYS 95 HN LYS 95 -8.354 -12.764 1.034 723 HA LYS 95 HA LYS 95 -8.410 -10.082 0.845 724 1HB LYS 95 2HB LYS 95 -8.792 -11.824 -1.036 725 2HB LYS 95 1HB LYS 95 -10.406 -12.106 -0.390 726 1HG LYS 95 2HG LYS 95 -10.879 -9.604 -0.929 727 2HG LYS 95 1HG LYS 95 -9.396 -9.691 -1.901 728 1HD LYS 95 1HD LYS 95 -10.338 -11.593 -3.172 729 2HD LYS 95 2HD LYS 95 -11.845 -11.470 -2.248 730 1HE LYS 95 2HE LYS 95 -10.650 -9.267 -3.997 731 2HE LYS 95 1HE LYS 95 -11.971 -10.345 -4.472 732 1HZ LYS 95 1HZ LYS 95 -12.785 -8.254 -3.716 733 2HZ LYS 95 2HZ LYS 95 -13.266 -9.438 -2.677 734 3HZ LYS 95 3HZ LYS 95 -12.039 -8.417 -2.261 735 H ALA 96 H ALA 96 -11.159 -12.064 1.981 736 HA ALA 96 HA ALA 96 -13.140 -10.072 2.129 737 1HB ALA 96 1HB ALA 96 -12.613 -12.390 4.049 738 2HB ALA 96 2HB ALA 96 -13.560 -12.468 2.546 739 3HB ALA 96 3HB ALA 96 -14.133 -11.481 3.905 740 H THR 97 H THR 97 -10.514 -10.872 4.475 741 HA THR 97 HA THR 97 -11.402 -9.011 6.474 742 HB THR 97 HB THR 97 -8.596 -10.062 6.004 743 HG1 THR 97 HG1 THR 97 -10.833 -11.331 7.217 744 1HG2 THR 97 1HG2 THR 97 -8.481 -10.024 8.475 745 2HG2 THR 97 2HG2 THR 97 -8.822 -8.410 7.829 746 3HG2 THR 97 3HG2 THR 97 -10.130 -9.370 8.553 747 H ILE 98 H ILE 98 -9.007 -8.931 3.780 748 HA ILE 98 HA ILE 98 -7.966 -6.340 4.340 749 HB ILE 98 HB ILE 98 -8.296 -7.695 1.624 750 1HG1 ILE 98 2HG1 ILE 98 -6.021 -7.762 3.614 751 2HG1 ILE 98 1HG1 ILE 98 -7.083 -9.090 3.103 752 1HG2 ILE 98 1HG2 ILE 98 -6.437 -5.442 2.602 753 2HG2 ILE 98 2HG2 ILE 98 -7.819 -5.185 1.527 754 3HG2 ILE 98 3HG2 ILE 98 -6.436 -6.110 0.965 755 1HD1 ILE 98 1HD1 ILE 98 -6.224 -8.796 0.745 756 2HD1 ILE 98 2HD1 ILE 98 -4.968 -7.726 1.416 757 3HD1 ILE 98 3HD1 ILE 98 -5.055 -9.416 1.922 758 H VAL 99 H VAL 99 -10.661 -7.315 2.177 759 HA VAL 99 HA VAL 99 -11.550 -4.812 1.292 760 HB VAL 99 HB VAL 99 -12.894 -7.469 1.883 761 1HG1 VAL 99 1HG1 VAL 99 -14.721 -5.992 2.412 762 2HG1 VAL 99 2HG1 VAL 99 -14.978 -6.625 0.795 763 3HG1 VAL 99 3HG1 VAL 99 -14.368 -4.969 1.004 764 1HG2 VAL 99 1HG2 VAL 99 -12.513 -5.876 -0.681 765 2HG2 VAL 99 2HG2 VAL 99 -13.172 -7.518 -0.536 766 3HG2 VAL 99 3HG2 VAL 99 -11.476 -7.209 -0.127 767 H GLN 100 H GLN 100 -12.738 -6.624 4.176 768 HA GLN 100 HA GLN 100 -14.421 -4.559 5.042 769 1HB GLN 100 2HB GLN 100 -14.115 -7.062 5.758 770 2HB GLN 100 1HB GLN 100 -13.057 -6.438 7.019 771 1HG GLN 100 1HG GLN 100 -15.843 -5.244 6.596 772 2HG GLN 100 2HG GLN 100 -15.654 -6.822 7.329 773 1HE2 GLN 100 2HE2 GLN 100 -14.324 -3.426 7.680 774 2HE2 GLN 100 1HE2 GLN 100 -14.298 -3.531 9.428 775 H THR 101 H THR 101 -11.082 -5.261 5.975 776 HA THR 101 HA THR 101 -10.657 -3.211 7.861 777 HB THR 101 HB THR 101 -8.654 -4.456 5.937 778 HG1 THR 101 HG1 THR 101 -9.686 -5.986 7.212 779 1HG2 THR 101 1HG2 THR 101 -8.312 -2.982 8.583 780 2HG2 THR 101 2HG2 THR 101 -7.699 -2.477 6.988 781 3HG2 THR 101 3HG2 THR 101 -7.042 -3.921 7.780 782 H VAL 102 H VAL 102 -10.312 -3.108 4.245 783 HA VAL 102 HA VAL 102 -9.416 -0.368 4.207 784 HB VAL 102 HB VAL 102 -10.718 -2.178 2.140 785 1HG1 VAL 102 1HG1 VAL 102 -7.916 -0.980 2.340 786 2HG1 VAL 102 2HG1 VAL 102 -8.486 -2.137 1.123 787 3HG1 VAL 102 3HG1 VAL 102 -8.330 -2.635 2.815 788 1HG2 VAL 102 1HG2 VAL 102 -10.104 -0.463 0.445 789 2HG2 VAL 102 2HG2 VAL 102 -11.396 0.091 1.510 790 3HG2 VAL 102 3HG2 VAL 102 -9.733 0.677 1.752 791 H GLU 103 HN GLU 103 -12.646 -1.849 3.778 792 HA GLU 103 HA GLU 103 -14.096 0.481 3.357 793 1HB GLU 103 2HB GLU 103 -14.876 -2.134 4.713 794 2HB GLU 103 1HB GLU 103 -16.028 -0.849 4.320 795 1HG GLU 103 1HG GLU 103 -15.485 -0.923 1.980 796 2HG GLU 103 2HG GLU 103 -14.243 -2.151 2.231 797 H LYS 104 HN LYS 104 -13.394 -0.998 6.535 798 HA LYS 104 HA LYS 104 -14.904 0.951 8.002 799 1HB LYS 104 1HB LYS 104 -13.538 0.335 9.963 800 2HB LYS 104 2HB LYS 104 -14.210 -1.065 9.117 801 1HG LYS 104 1HG LYS 104 -12.126 -1.671 8.228 802 2HG LYS 104 2HG LYS 104 -11.416 -0.081 8.496 803 1HD LYS 104 1HD LYS 104 -10.437 -1.592 10.028 804 2HD LYS 104 2HD LYS 104 -11.431 -0.419 10.911 805 1HE LYS 104 2HE LYS 104 -13.251 -2.135 11.096 806 2HE LYS 104 1HE LYS 104 -12.239 -3.287 10.191 807 1HZ LYS 104 1HZ LYS 104 -11.577 -2.103 12.791 808 2HZ LYS 104 2HZ LYS 104 -12.115 -3.639 12.532 809 3HZ LYS 104 3HZ LYS 104 -10.646 -3.175 11.952 810 H TYR 105 H TYR 105 -11.795 1.332 6.389 811 HA TYR 105 HA TYR 105 -11.163 3.788 7.950 812 1HB TYR 105 2HB TYR 105 -9.661 2.487 5.669 813 2HB TYR 105 1HB TYR 105 -9.091 3.785 6.714 814 HD1 TYR 105 HD1 TYR 105 -7.710 1.163 6.010 815 HD2 TYR 105 HD2 TYR 105 -10.182 2.300 9.362 816 HE1 TYR 105 HE1 TYR 105 -6.533 -0.474 7.450 817 HE2 TYR 105 HE2 TYR 105 -9.073 0.602 10.755 818 HH TYR 105 HH TYR 105 -7.363 -0.944 10.885 819 H LEU 106 H LEU 106 -12.029 2.713 4.637 820 HA LEU 106 HA LEU 106 -12.441 5.550 3.783 821 1HB LEU 106 2HB LEU 106 -12.284 2.903 2.291 822 2HB LEU 106 1HB LEU 106 -12.993 4.361 1.583 823 HG LEU 106 HG LEU 106 -10.886 5.599 1.937 824 1HD1 LEU 106 1HD1 LEU 106 -9.753 4.528 0.014 825 2HD1 LEU 106 2HD1 LEU 106 -11.499 4.591 -0.234 826 3HD1 LEU 106 3HD1 LEU 106 -10.740 3.065 0.244 827 1HD2 LEU 106 1HD2 LEU 106 -9.806 2.862 2.730 828 2HD2 LEU 106 2HD2 LEU 106 -8.793 4.238 2.242 829 3HD2 LEU 106 3HD2 LEU 106 -9.782 4.352 3.698 830 H ASN 107 H ASN 107 -14.395 2.888 2.523 831 HA ASN 107 HA ASN 107 -16.636 3.089 4.198 832 1HB ASN 107 1HB ASN 107 -16.757 5.303 2.836 833 2HB ASN 107 2HB ASN 107 -16.962 4.287 1.406 834 1HD2 ASN 107 2HD2 ASN 107 -18.695 2.246 2.697 835 2HD2 ASN 107 1HD2 ASN 107 -20.224 3.075 3.012 Start of MODEL 2 1 1H MET 1 1H MET 1 -0.072 -2.000 -10.996 2 2H MET 1 2H MET 1 0.612 -3.428 -11.520 3 3H MET 1 3H MET 1 -0.927 -3.381 -10.899 4 HA MET 1 HA MET 1 -0.037 -2.141 -13.390 5 1HB MET 1 2HB MET 1 -0.321 -4.565 -13.595 6 2HB MET 1 1HB MET 1 -1.918 -4.506 -12.843 7 1HG MET 1 2HG MET 1 -2.036 -4.720 -15.297 8 2HG MET 1 1HG MET 1 -2.803 -3.233 -14.745 9 1HE MET 1 1HE MET 1 -2.869 -1.934 -16.938 10 2HE MET 1 2HE MET 1 -2.394 -3.476 -17.699 11 3HE MET 1 3HE MET 1 -1.553 -1.969 -18.135 12 H GLU 2 HN GLU 2 -3.162 -3.104 -11.885 13 HA GLU 2 HA GLU 2 -4.475 -0.606 -12.658 14 1HB GLU 2 2HB GLU 2 -5.243 -2.810 -10.701 15 2HB GLU 2 1HB GLU 2 -6.304 -1.494 -11.219 16 1HG GLU 2 1HG GLU 2 -6.279 -2.314 -13.523 17 2HG GLU 2 2HG GLU 2 -5.101 -3.572 -13.115 18 H ALA 3 H ALA 3 -3.069 -2.162 -9.813 19 HA ALA 3 HA ALA 3 -3.161 0.264 -8.144 20 1HB ALA 3 1HB ALA 3 -3.300 -1.969 -7.100 21 2HB ALA 3 2HB ALA 3 -1.746 -2.420 -7.827 22 3HB ALA 3 3HB ALA 3 -1.810 -1.138 -6.595 23 H GLY 4 H GLY 4 -1.374 1.714 -8.011 24 1HA GLY 4 2HA GLY 4 0.443 1.672 -10.279 25 2HA GLY 4 1HA GLY 4 0.448 2.824 -8.941 26 H ALA 5 H ALA 5 2.849 2.013 -9.920 27 HA ALA 5 HA ALA 5 3.975 0.174 -7.852 28 1HB ALA 5 1HB ALA 5 4.963 0.734 -10.678 29 2HB ALA 5 2HB ALA 5 4.232 -0.781 -10.103 30 3HB ALA 5 3HB ALA 5 5.795 -0.247 -9.453 31 H VAL 6 H VAL 6 5.347 1.299 -6.457 32 HA VAL 6 HA VAL 6 6.375 3.953 -7.363 33 HB VAL 6 HB VAL 6 5.958 4.687 -4.918 34 1HG1 VAL 6 1HG1 VAL 6 4.012 3.753 -3.796 35 2HG1 VAL 6 2HG1 VAL 6 3.815 2.519 -5.051 36 3HG1 VAL 6 3HG1 VAL 6 5.238 2.507 -4.006 37 1HG2 VAL 6 1HG2 VAL 6 4.816 5.717 -6.776 38 2HG2 VAL 6 2HG2 VAL 6 3.698 5.467 -5.427 39 3HG2 VAL 6 3HG2 VAL 6 3.638 4.389 -6.842 40 H ASN 7 H ASN 7 7.992 4.832 -5.977 41 HA ASN 7 HA ASN 7 9.767 2.991 -4.544 42 1HB ASN 7 1HB ASN 7 10.684 2.892 -6.799 43 2HB ASN 7 2HB ASN 7 10.523 4.649 -7.011 44 1HD2 ASN 7 1HD2 ASN 7 12.151 2.163 -5.014 45 2HD2 ASN 7 2HD2 ASN 7 13.605 3.079 -4.700 46 H ASP 8 HN ASP 8 11.515 4.484 -3.613 47 HA ASP 8 HA ASP 8 10.610 6.260 -1.800 48 1HB ASP 8 1HB ASP 8 12.965 5.409 -2.067 49 2HB ASP 8 2HB ASP 8 13.238 6.587 -3.339 50 H ASP 9 HN ASP 9 11.806 7.207 -4.963 51 HA ASP 9 HA ASP 9 11.259 10.016 -4.776 52 1HB ASP 9 2HB ASP 9 12.751 9.149 -6.471 53 2HB ASP 9 1HB ASP 9 11.495 8.148 -7.186 54 H THR 10 H THR 10 9.494 7.767 -6.913 55 HA THR 10 HA THR 10 7.351 9.430 -7.493 56 HB THR 10 HB THR 10 6.192 7.231 -8.091 57 HG1 THR 10 HG1 THR 10 7.753 5.456 -8.030 58 1HG2 THR 10 1HG2 THR 10 7.769 6.732 -9.912 59 2HG2 THR 10 2HG2 THR 10 7.641 8.484 -9.679 60 3HG2 THR 10 3HG2 THR 10 9.063 7.612 -9.076 61 H PHE 11 H PHE 11 7.608 7.119 -4.838 62 HA PHE 11 HA PHE 11 5.169 6.989 -3.623 63 1HB PHE 11 1HB PHE 11 7.273 6.047 -2.772 64 2HB PHE 11 2HB PHE 11 7.853 7.622 -2.339 65 HD1 PHE 11 HD1 PHE 11 5.143 5.147 -1.576 66 HD2 PHE 11 HD2 PHE 11 7.432 8.521 -0.170 67 HE1 PHE 11 HE1 PHE 11 4.271 4.790 0.718 68 HE2 PHE 11 HE2 PHE 11 6.496 8.202 2.103 69 HZ PHE 11 HZ PHE 11 4.946 6.310 2.560 70 H LYS 12 HN LYS 12 7.447 9.674 -3.485 71 HA LYS 12 HA LYS 12 5.943 11.240 -1.608 72 1HB LYS 12 1HB LYS 12 7.867 12.249 -3.760 73 2HB LYS 12 2HB LYS 12 7.212 13.114 -2.369 74 1HG LYS 12 2HG LYS 12 8.129 10.824 -1.134 75 2HG LYS 12 1HG LYS 12 9.207 10.845 -2.528 76 1HD LYS 12 2HD LYS 12 10.197 12.929 -1.824 77 2HD LYS 12 1HD LYS 12 8.910 13.215 -0.636 78 1HE LYS 12 2HE LYS 12 10.889 12.358 0.532 79 2HE LYS 12 1HE LYS 12 9.577 11.185 0.631 80 1HZ LYS 12 1HZ LYS 12 11.834 11.065 -1.252 81 2HZ LYS 12 2HZ LYS 12 10.602 9.976 -1.191 82 3HZ LYS 12 3HZ LYS 12 11.632 10.117 0.078 83 H ASN 13 H ASN 13 6.114 11.596 -5.167 84 HA ASN 13 HA ASN 13 4.093 13.619 -5.367 85 1HB ASN 13 1HB ASN 13 4.945 11.530 -7.407 86 2HB ASN 13 2HB ASN 13 4.118 13.053 -7.729 87 1HD2 ASN 13 2HD2 ASN 13 6.073 14.396 -5.568 88 2HD2 ASN 13 1HD2 ASN 13 7.494 14.617 -6.570 89 H VAL 14 H VAL 14 4.034 10.155 -5.230 90 HA VAL 14 HA VAL 14 1.243 9.974 -6.251 91 HB VAL 14 HB VAL 14 3.371 7.904 -5.583 92 1HG1 VAL 14 1HG1 VAL 14 3.797 9.316 -7.633 93 2HG1 VAL 14 2HG1 VAL 14 3.473 7.628 -8.036 94 3HG1 VAL 14 3HG1 VAL 14 2.205 8.849 -8.247 95 1HG2 VAL 14 1HG2 VAL 14 0.594 7.525 -6.752 96 2HG2 VAL 14 2HG2 VAL 14 1.261 6.772 -5.279 97 3HG2 VAL 14 3HG2 VAL 14 1.892 6.323 -6.869 98 H VAL 15 H VAL 15 2.914 9.632 -3.154 99 HA VAL 15 HA VAL 15 0.371 8.725 -1.881 100 HB VAL 15 HB VAL 15 3.186 8.235 -0.830 101 1HG1 VAL 15 1HG1 VAL 15 2.110 6.631 0.599 102 2HG1 VAL 15 2HG1 VAL 15 0.517 7.027 -0.068 103 3HG1 VAL 15 3HG1 VAL 15 1.422 8.236 0.857 104 1HG2 VAL 15 1HG2 VAL 15 1.419 6.412 -2.509 105 2HG2 VAL 15 2HG2 VAL 15 2.995 7.060 -2.973 106 3HG2 VAL 15 3HG2 VAL 15 2.883 5.920 -1.642 107 H LEU 16 H LEU 16 3.406 10.307 -0.797 108 HA LEU 16 HA LEU 16 2.368 11.616 1.432 109 1HB LEU 16 2HB LEU 16 4.531 12.566 -0.498 110 2HB LEU 16 1HB LEU 16 4.185 13.318 1.018 111 HG LEU 16 HG LEU 16 5.227 10.473 0.560 112 1HD1 LEU 16 1HD2 LEU 16 7.288 11.321 1.559 113 2HD1 LEU 16 2HD2 LEU 16 6.828 12.394 0.222 114 3HD1 LEU 16 3HD2 LEU 16 6.530 12.892 1.892 115 1HD2 LEU 16 1HD1 LEU 16 5.595 10.409 3.034 116 2HD2 LEU 16 2HD1 LEU 16 4.629 11.889 3.192 117 3HD2 LEU 16 3HD1 LEU 16 3.884 10.382 2.592 118 H GLU 17 HN GLU 17 2.871 13.065 -1.735 119 HA GLU 17 HA GLU 17 1.327 15.456 -1.147 120 1HB GLU 17 1HB GLU 17 2.450 14.369 -3.758 121 2HB GLU 17 2HB GLU 17 1.867 16.017 -3.500 122 1HG GLU 17 2HG GLU 17 3.625 16.460 -1.863 123 2HG GLU 17 1HG GLU 17 4.214 14.797 -1.957 124 H SER 18 H SER 18 -0.053 12.480 -1.530 125 HA SER 18 HA SER 18 -1.856 13.000 -3.738 126 1HB SER 18 2HB SER 18 -1.281 10.718 -2.928 127 2HB SER 18 1HB SER 18 -2.174 11.049 -1.426 128 HG SER 18 HG SER 18 -4.004 10.768 -2.497 129 H SER 19 H SER 19 -3.989 13.721 -3.687 130 HA SER 19 HA SER 19 -4.834 15.398 -1.442 131 1HB SER 19 2HB SER 19 -6.765 15.724 -3.138 132 2HB SER 19 1HB SER 19 -5.150 16.281 -3.631 133 HG SER 19 HG SER 19 -6.103 15.004 -5.279 134 H VAL 20 H VAL 20 -6.232 12.803 -3.405 135 HA VAL 20 HA VAL 20 -8.219 12.090 -1.404 136 HB VAL 20 HB VAL 20 -8.918 10.395 -3.038 137 1HG1 VAL 20 1HG2 VAL 20 -7.756 10.113 -5.196 138 2HG1 VAL 20 2HG2 VAL 20 -6.785 9.537 -3.843 139 3HG1 VAL 20 3HG2 VAL 20 -6.403 11.093 -4.611 140 1HG2 VAL 20 1HG1 VAL 20 -9.592 12.758 -3.376 141 2HG2 VAL 20 2HG1 VAL 20 -8.220 12.976 -4.485 142 3HG2 VAL 20 3HG1 VAL 20 -9.508 11.825 -4.880 143 HA PRO 21 HA PRO 21 -6.184 8.941 0.884 144 1HB PRO 21 1HB PRO 21 -8.289 7.005 -0.128 145 2HB PRO 21 2HB PRO 21 -7.641 7.143 1.529 146 1HG PRO 21 1HG PRO 21 -9.982 8.255 0.849 147 2HG PRO 21 2HG PRO 21 -8.860 9.175 1.883 148 1HD PRO 21 1HD PRO 21 -9.474 9.573 -1.023 149 2HD PRO 21 2HD PRO 21 -9.010 10.764 0.220 150 H VAL 22 H VAL 22 -5.067 6.877 0.792 151 HA VAL 22 HA VAL 22 -4.400 5.803 -1.867 152 HB VAL 22 HB VAL 22 -2.217 6.799 -0.004 153 1HG1 VAL 22 1HG1 VAL 22 -1.503 5.035 -1.529 154 2HG1 VAL 22 2HG1 VAL 22 -0.731 6.581 -1.873 155 3HG1 VAL 22 3HG1 VAL 22 -2.016 6.021 -2.916 156 1HG2 VAL 22 1HG2 VAL 22 -1.834 8.654 -1.611 157 2HG2 VAL 22 2HG2 VAL 22 -3.340 8.828 -0.720 158 3HG2 VAL 22 3HG2 VAL 22 -3.365 8.264 -2.407 159 H LEU 23 H LEU 23 -3.524 3.720 -1.729 160 HA LEU 23 HA LEU 23 -3.229 2.485 0.992 161 1HB LEU 23 2HB LEU 23 -5.363 1.819 -0.047 162 2HB LEU 23 1HB LEU 23 -4.542 1.161 -1.438 163 HG LEU 23 HG LEU 23 -3.824 0.225 1.365 164 1HD1 LEU 23 1HD2 LEU 23 -2.315 -0.660 -0.356 165 2HD1 LEU 23 2HD2 LEU 23 -3.399 -1.949 0.125 166 3HD1 LEU 23 3HD2 LEU 23 -3.693 -1.088 -1.392 167 1HD2 LEU 23 1HD1 LEU 23 -6.103 -0.826 -0.355 168 2HD2 LEU 23 2HD1 LEU 23 -6.243 -0.007 1.223 169 3HD2 LEU 23 3HD1 LEU 23 -5.480 -1.599 1.117 170 H VAL 24 H VAL 24 -1.013 2.013 1.090 171 HA VAL 24 HA VAL 24 0.271 1.196 -1.507 172 HB VAL 24 HB VAL 24 2.289 2.010 -0.909 173 1HG1 VAL 24 1HG2 VAL 24 1.983 4.375 -0.281 174 2HG1 VAL 24 2HG2 VAL 24 0.280 4.070 0.080 175 3HG1 VAL 24 3HG2 VAL 24 0.893 3.829 -1.562 176 1HG2 VAL 24 1HG1 VAL 24 1.387 2.070 1.958 177 2HG2 VAL 24 2HG1 VAL 24 2.816 2.967 1.388 178 3HG2 VAL 24 3HG1 VAL 24 2.737 1.213 1.206 179 H ASP 25 HN ASP 25 1.148 -0.804 -1.578 180 HA ASP 25 HA ASP 25 1.357 -2.390 0.966 181 1HB ASP 25 1HB ASP 25 -0.156 -3.465 -0.569 182 2HB ASP 25 2HB ASP 25 0.992 -3.284 -1.903 183 H PHE 26 H PHE 26 3.409 -2.603 1.695 184 HA PHE 26 HA PHE 26 5.703 -1.886 -0.041 185 1HB PHE 26 1HB PHE 26 5.406 -2.801 2.838 186 2HB PHE 26 2HB PHE 26 6.958 -2.683 2.034 187 HD1 PHE 26 HD1 PHE 26 3.914 -0.553 2.770 188 HD2 PHE 26 HD2 PHE 26 8.168 -0.686 2.058 189 HE1 PHE 26 HE1 PHE 26 4.091 1.855 3.305 190 HE2 PHE 26 HE2 PHE 26 8.343 1.692 2.695 191 HZ PHE 26 HZ PHE 26 6.293 2.976 3.322 192 H TRP 27 H TRP 27 6.411 -3.398 -1.475 193 HA TRP 27 HA TRP 27 6.186 -6.283 -0.737 194 1HB TRP 27 2HB TRP 27 5.436 -6.854 -2.902 195 2HB TRP 27 1HB TRP 27 4.400 -5.542 -2.385 196 HD1 TRP 27 HD1 TRP 27 5.261 -3.064 -3.393 197 HE1 TRP 27 HE1 TRP 27 6.486 -2.426 -5.595 198 HE3 TRP 27 HE3 TRP 27 6.554 -7.749 -4.988 199 HZ2 TRP 27 HZ2 TRP 27 8.096 -3.798 -7.566 200 HZ3 TRP 27 HZ3 TRP 27 7.717 -8.041 -7.132 201 HH2 TRP 27 HH2 TRP 27 8.545 -6.083 -8.405 202 H ALA 28 H ALA 28 7.414 -7.433 -2.768 203 HA ALA 28 HA ALA 28 9.636 -6.107 -3.892 204 1HB ALA 28 1HB ALA 28 11.470 -7.360 -2.759 205 2HB ALA 28 2HB ALA 28 10.649 -6.286 -1.616 206 3HB ALA 28 3HB ALA 28 10.298 -8.033 -1.614 207 HA PRO 29 HA PRO 29 9.019 -9.659 -6.523 208 1HB PRO 29 1HB PRO 29 11.585 -10.307 -7.335 209 2HB PRO 29 2HB PRO 29 10.506 -9.017 -7.981 210 1HG PRO 29 1HG PRO 29 12.692 -8.693 -5.893 211 2HG PRO 29 2HG PRO 29 12.431 -7.713 -7.369 212 1HD PRO 29 2HD PRO 29 11.436 -6.770 -5.068 213 2HD PRO 29 1HD PRO 29 10.383 -6.814 -6.481 214 H TRP 30 H TRP 30 11.692 -10.116 -4.133 215 HA TRP 30 HA TRP 30 11.329 -12.980 -4.058 216 1HB TRP 30 2HB TRP 30 12.677 -12.754 -1.936 217 2HB TRP 30 1HB TRP 30 13.411 -12.159 -3.415 218 HD1 TRP 30 HD1 TRP 30 14.350 -9.802 -3.409 219 HE1 TRP 30 HE1 TRP 30 14.453 -7.842 -1.741 220 HE3 TRP 30 HE3 TRP 30 11.096 -11.581 0.129 221 HZ2 TRP 30 HZ2 TRP 30 13.189 -7.103 0.732 222 HZ3 TRP 30 HZ3 TRP 30 10.563 -10.221 2.121 223 HH2 TRP 30 HH2 TRP 30 11.511 -7.949 2.386 224 H CYS 31 H CYS 31 9.268 -10.494 -2.864 225 HA CYS 31 HA CYS 31 8.489 -11.872 -0.408 226 1HB CYS 31 1HB CYS 31 8.422 -9.409 -0.613 227 2HB CYS 31 2HB CYS 31 7.158 -9.564 -1.824 228 H GLY 32 H GLY 32 8.042 -13.945 -1.478 229 1HA GLY 32 2HA GLY 32 6.052 -14.716 -3.161 230 2HA GLY 32 1HA GLY 32 6.309 -15.544 -1.619 231 HA PRO 33 HA PRO 33 2.475 -14.303 0.075 232 1HB PRO 33 2HB PRO 33 2.809 -12.486 2.150 233 2HB PRO 33 1HB PRO 33 3.022 -14.257 2.240 234 1HG PRO 33 2HG PRO 33 5.179 -12.181 1.848 235 2HG PRO 33 1HG PRO 33 5.178 -13.582 2.948 236 1HD PRO 33 2HD PRO 33 6.446 -13.679 0.601 237 2HD PRO 33 1HD PRO 33 5.482 -15.075 1.135 238 H CYS 34 H CYS 34 4.519 -11.569 -0.864 239 HA CYS 34 HA CYS 34 2.358 -9.604 -1.020 240 1HB CYS 34 2HB CYS 34 5.006 -9.502 -2.424 241 2HB CYS 34 1HB CYS 34 3.805 -8.243 -2.189 242 H ARG 35 HN ARG 35 4.230 -11.701 -3.222 243 HA ARG 35 HA ARG 35 3.084 -11.043 -5.659 244 1HB ARG 35 2HB ARG 35 5.002 -12.756 -4.987 245 2HB ARG 35 1HB ARG 35 3.726 -13.937 -4.920 246 1HG ARG 35 1HG ARG 35 4.910 -13.961 -7.068 247 2HG ARG 35 2HG ARG 35 3.176 -13.705 -7.244 248 1HD ARG 35 1HD ARG 35 4.830 -12.273 -8.705 249 2HD ARG 35 2HD ARG 35 3.410 -11.522 -7.983 250 HE ARG 35 HE ARG 35 4.721 -10.153 -6.778 251 1HH1 ARG 35 1HH1 ARG 35 6.848 -12.806 -7.755 252 2HH1 ARG 35 2HH1 ARG 35 8.062 -12.412 -6.545 253 1HH2 ARG 35 1HH2 ARG 35 6.195 -9.823 -5.079 254 2HH2 ARG 35 2HH2 ARG 35 7.685 -10.718 -5.030 255 H ILE 36 H ILE 36 1.946 -13.544 -3.377 256 HA ILE 36 HA ILE 36 -0.271 -14.212 -5.125 257 HB ILE 36 HB ILE 36 -1.094 -15.623 -3.264 258 1HG1 ILE 36 2HG1 ILE 36 0.601 -16.123 -1.440 259 2HG1 ILE 36 1HG1 ILE 36 1.344 -14.565 -1.772 260 1HG2 ILE 36 1HG2 ILE 36 0.510 -16.361 -5.016 261 2HG2 ILE 36 2HG2 ILE 36 1.863 -15.903 -3.961 262 3HG2 ILE 36 3HG2 ILE 36 0.756 -17.204 -3.484 263 1HD1 ILE 36 1HD1 ILE 36 -0.846 -13.485 -1.176 264 2HD1 ILE 36 2HD1 ILE 36 -0.241 -14.496 0.142 265 3HD1 ILE 36 3HD1 ILE 36 -1.549 -15.089 -0.903 266 H ILE 37 H ILE 37 -0.028 -11.526 -2.841 267 HA ILE 37 HA ILE 37 -3.012 -11.278 -2.936 268 HB ILE 37 HB ILE 37 -2.746 -9.285 -1.588 269 1HG1 ILE 37 2HG1 ILE 37 0.178 -10.004 -1.296 270 2HG1 ILE 37 1HG1 ILE 37 -0.414 -8.649 -2.279 271 1HG2 ILE 37 1HG2 ILE 37 -1.259 -11.552 -0.219 272 2HG2 ILE 37 2HG2 ILE 37 -2.433 -10.428 0.471 273 3HG2 ILE 37 3HG2 ILE 37 -2.980 -11.681 -0.647 274 1HD1 ILE 37 1HD1 ILE 37 -1.446 -7.668 -0.233 275 2HD1 ILE 37 2HD1 ILE 37 0.323 -7.809 -0.159 276 3HD1 ILE 37 3HD1 ILE 37 -0.685 -8.961 0.730 277 H ALA 38 H ALA 38 -0.086 -9.959 -4.399 278 HA ALA 38 HA ALA 38 -0.722 -7.592 -5.393 279 1HB ALA 38 1HB ALA 38 1.368 -8.781 -5.867 280 2HB ALA 38 2HB ALA 38 0.559 -9.791 -7.078 281 3HB ALA 38 3HB ALA 38 0.697 -8.054 -7.336 282 HA PRO 39 HA PRO 39 -3.306 -9.061 -9.199 283 1HB PRO 39 2HB PRO 39 -4.685 -11.506 -8.134 284 2HB PRO 39 1HB PRO 39 -4.068 -11.197 -9.780 285 1HG PRO 39 2HG PRO 39 -2.734 -12.878 -8.103 286 2HG PRO 39 1HG PRO 39 -1.819 -11.699 -9.096 287 1HD PRO 39 2HD PRO 39 -2.738 -11.383 -6.225 288 2HD PRO 39 1HD PRO 39 -1.105 -11.180 -6.861 289 H VAL 40 H VAL 40 -4.320 -9.839 -5.887 290 HA VAL 40 HA VAL 40 -7.066 -8.917 -6.202 291 HB VAL 40 HB VAL 40 -5.495 -9.196 -3.610 292 1HG1 VAL 40 1HG2 VAL 40 -8.484 -9.095 -4.273 293 2HG1 VAL 40 2HG2 VAL 40 -7.558 -7.833 -3.436 294 3HG1 VAL 40 3HG2 VAL 40 -7.811 -9.405 -2.665 295 1HG2 VAL 40 1HG1 VAL 40 -7.284 -11.106 -5.103 296 2HG2 VAL 40 2HG1 VAL 40 -5.528 -11.303 -4.781 297 3HG2 VAL 40 3HG1 VAL 40 -6.689 -11.319 -3.424 298 H VAL 41 H VAL 41 -3.967 -7.669 -4.898 299 HA VAL 41 HA VAL 41 -4.957 -5.257 -3.980 300 HB VAL 41 HB VAL 41 -2.203 -5.746 -5.245 301 1HG1 VAL 41 1HG1 VAL 41 -2.982 -5.754 -2.299 302 2HG1 VAL 41 2HG1 VAL 41 -1.381 -6.100 -2.979 303 3HG1 VAL 41 3HG1 VAL 41 -2.716 -7.217 -3.247 304 1HG2 VAL 41 1HG2 VAL 41 -1.424 -3.832 -3.842 305 2HG2 VAL 41 2HG2 VAL 41 -2.572 -3.333 -5.083 306 3HG2 VAL 41 3HG2 VAL 41 -3.102 -3.502 -3.392 307 H ASP 42 HN ASP 42 -3.870 -6.198 -7.225 308 HA ASP 42 HA ASP 42 -4.351 -3.691 -8.530 309 1HB ASP 42 1HB ASP 42 -4.080 -6.567 -9.451 310 2HB ASP 42 2HB ASP 42 -4.560 -5.310 -10.589 311 H GLU 43 HN GLU 43 -6.499 -6.698 -8.743 312 HA GLU 43 HA GLU 43 -8.470 -5.233 -10.139 313 1HB GLU 43 1HB GLU 43 -9.972 -7.038 -9.590 314 2HB GLU 43 2HB GLU 43 -8.426 -7.617 -10.191 315 1HG GLU 43 1HG GLU 43 -8.141 -8.913 -8.389 316 2HG GLU 43 2HG GLU 43 -8.284 -7.521 -7.314 317 H ILE 44 H ILE 44 -8.133 -5.691 -6.567 318 HA ILE 44 HA ILE 44 -10.589 -4.287 -6.030 319 HB ILE 44 HB ILE 44 -8.127 -4.772 -4.304 320 1HG1 ILE 44 2HG1 ILE 44 -10.874 -6.069 -4.717 321 2HG1 ILE 44 1HG1 ILE 44 -9.286 -6.809 -4.910 322 1HG2 ILE 44 1HG2 ILE 44 -10.835 -3.633 -3.530 323 2HG2 ILE 44 2HG2 ILE 44 -9.277 -2.768 -3.475 324 3HG2 ILE 44 3HG2 ILE 44 -9.549 -4.112 -2.393 325 1HD1 ILE 44 1HD1 ILE 44 -10.211 -7.663 -2.896 326 2HD1 ILE 44 2HD1 ILE 44 -8.999 -6.466 -2.375 327 3HD1 ILE 44 3HD1 ILE 44 -10.737 -6.065 -2.356 328 H ALA 45 H ALA 45 -7.413 -3.046 -7.037 329 HA ALA 45 HA ALA 45 -7.786 -0.355 -6.125 330 1HB ALA 45 1HB ALA 45 -6.196 0.259 -7.812 331 2HB ALA 45 2HB ALA 45 -6.481 -1.188 -8.755 332 3HB ALA 45 3HB ALA 45 -5.666 -1.328 -7.185 333 H GLY 46 H GLY 46 -8.866 -2.202 -8.985 334 1HA GLY 46 1HA GLY 46 -10.099 -0.054 -10.428 335 2HA GLY 46 2HA GLY 46 -10.469 -1.786 -10.569 336 H GLU 47 HN GLU 47 -11.338 -2.476 -8.038 337 HA GLU 47 HA GLU 47 -14.003 -1.583 -8.057 338 1HB GLU 47 1HB GLU 47 -12.424 -2.786 -5.731 339 2HB GLU 47 2HB GLU 47 -14.169 -2.730 -5.879 340 1HG GLU 47 2HG GLU 47 -12.317 -4.282 -7.751 341 2HG GLU 47 1HG GLU 47 -13.254 -4.960 -6.429 342 H TYR 48 H TYR 48 -11.379 -0.592 -5.861 343 HA TYR 48 HA TYR 48 -13.139 1.575 -4.747 344 1HB TYR 48 2HB TYR 48 -10.385 0.682 -3.851 345 2HB TYR 48 1HB TYR 48 -11.506 1.728 -2.983 346 HD1 TYR 48 HD1 TYR 48 -14.059 -0.074 -3.507 347 HD2 TYR 48 HD2 TYR 48 -10.090 -0.793 -1.965 348 HE1 TYR 48 HE1 TYR 48 -14.908 -1.982 -2.202 349 HE2 TYR 48 HE2 TYR 48 -10.960 -2.707 -0.654 350 HH TYR 48 HH TYR 48 -14.357 -3.483 -0.377 351 H LYS 49 HN LYS 49 -12.098 1.804 -7.469 352 HA LYS 49 HA LYS 49 -9.896 3.544 -7.596 353 1HB LYS 49 2HB LYS 49 -10.809 4.190 -9.814 354 2HB LYS 49 1HB LYS 49 -10.800 2.457 -9.546 355 1HG LYS 49 2HG LYS 49 -13.274 2.600 -8.948 356 2HG LYS 49 1HG LYS 49 -13.223 4.324 -9.342 357 1HD LYS 49 2HD LYS 49 -12.554 3.774 -11.666 358 2HD LYS 49 1HD LYS 49 -12.517 2.046 -11.247 359 1HE LYS 49 2HE LYS 49 -14.935 2.126 -10.672 360 2HE LYS 49 1HE LYS 49 -14.988 3.840 -11.131 361 1HZ LYS 49 1HZ LYS 49 -14.314 1.599 -12.908 362 2HZ LYS 49 2HZ LYS 49 -15.742 2.420 -12.883 363 3HZ LYS 49 3HZ LYS 49 -14.360 3.188 -13.346 364 H ASP 50 HN ASP 50 -10.029 5.752 -8.384 365 HA ASP 50 HA ASP 50 -10.440 7.980 -8.236 366 1HB ASP 50 2HB ASP 50 -12.810 7.423 -8.774 367 2HB ASP 50 1HB ASP 50 -13.186 7.278 -7.065 368 H LYS 51 HN LYS 51 -11.902 6.420 -5.435 369 HA LYS 51 HA LYS 51 -11.081 8.609 -3.654 370 1HB LYS 51 1HB LYS 51 -12.294 5.906 -2.982 371 2HB LYS 51 2HB LYS 51 -12.142 7.290 -1.889 372 1HG LYS 51 1HG LYS 51 -13.530 8.628 -3.580 373 2HG LYS 51 2HG LYS 51 -13.865 7.105 -4.409 374 1HD LYS 51 2HD LYS 51 -14.543 7.766 -1.501 375 2HD LYS 51 1HD LYS 51 -15.678 7.737 -2.860 376 1HE LYS 51 1HE LYS 51 -15.187 5.298 -3.192 377 2HE LYS 51 2HE LYS 51 -14.140 5.333 -1.760 378 1HZ LYS 51 1HZ LYS 51 -16.018 5.986 -0.460 379 2HZ LYS 51 2HZ LYS 51 -16.306 4.559 -1.229 380 3HZ LYS 51 3HZ LYS 51 -17.004 5.946 -1.781 381 H LEU 52 H LEU 52 -10.187 5.175 -3.982 382 HA LEU 52 HA LEU 52 -7.964 5.609 -2.036 383 1HB LEU 52 1HB LEU 52 -9.799 3.927 -1.549 384 2HB LEU 52 2HB LEU 52 -9.220 3.010 -2.946 385 HG LEU 52 HG LEU 52 -6.905 3.015 -1.791 386 1HD1 LEU 52 1HD1 LEU 52 -8.671 3.926 0.533 387 2HD1 LEU 52 2HD1 LEU 52 -7.053 3.235 0.728 388 3HD1 LEU 52 3HD1 LEU 52 -7.249 4.771 -0.115 389 1HD2 LEU 52 1HD2 LEU 52 -8.357 1.037 -1.915 390 2HD2 LEU 52 2HD2 LEU 52 -7.635 1.120 -0.301 391 3HD2 LEU 52 3HD2 LEU 52 -9.319 1.614 -0.535 392 H LYS 53 HN LYS 53 -6.185 6.208 -3.160 393 HA LYS 53 HA LYS 53 -5.637 5.128 -5.818 394 1HB LYS 53 1HB LYS 53 -5.101 7.439 -4.804 395 2HB LYS 53 2HB LYS 53 -3.714 6.694 -4.062 396 1HG LYS 53 2HG LYS 53 -4.367 6.677 -7.056 397 2HG LYS 53 1HG LYS 53 -3.295 7.839 -6.267 398 1HD LYS 53 1HD LYS 53 -1.739 6.098 -5.609 399 2HD LYS 53 2HD LYS 53 -2.759 4.827 -6.312 400 1HE LYS 53 1HE LYS 53 -1.553 7.102 -7.931 401 2HE LYS 53 2HE LYS 53 -0.828 5.494 -7.748 402 1HZ LYS 53 1HZ LYS 53 -2.100 5.632 -9.735 403 2HZ LYS 53 2HZ LYS 53 -3.465 6.037 -8.909 404 3HZ LYS 53 3HZ LYS 53 -2.791 4.546 -8.706 405 H CYS 54 H CYS 54 -5.369 2.904 -5.684 406 HA CYS 54 HA CYS 54 -3.848 1.677 -3.546 407 1HB CYS 54 1HB CYS 54 -5.792 0.609 -4.737 408 2HB CYS 54 2HB CYS 54 -4.725 0.475 -6.166 409 HG CYS 54 HG CYS 54 -4.783 -1.835 -5.058 410 H VAL 55 H VAL 55 -1.733 0.943 -3.542 411 HA VAL 55 HA VAL 55 -0.141 1.070 -6.008 412 HB VAL 55 HB VAL 55 1.344 2.486 -3.928 413 1HG1 VAL 55 1HG1 VAL 55 0.226 4.614 -3.875 414 2HG1 VAL 55 2HG1 VAL 55 -1.146 3.977 -4.787 415 3HG1 VAL 55 3HG1 VAL 55 -0.817 3.391 -3.140 416 1HG2 VAL 55 1HG2 VAL 55 1.896 2.510 -6.314 417 2HG2 VAL 55 2HG2 VAL 55 0.355 3.330 -6.673 418 3HG2 VAL 55 3HG2 VAL 55 1.603 4.150 -5.718 419 H LYS 56 HN LYS 56 2.027 0.287 -5.785 420 HA LYS 56 HA LYS 56 2.562 -1.408 -3.400 421 1HB LYS 56 1HB LYS 56 2.310 -2.055 -6.314 422 2HB LYS 56 2HB LYS 56 3.645 -2.833 -5.475 423 1HG LYS 56 1HG LYS 56 2.209 -3.768 -3.792 424 2HG LYS 56 2HG LYS 56 0.795 -2.894 -4.409 425 1HD LYS 56 1HD LYS 56 2.343 -5.003 -5.993 426 2HD LYS 56 2HD LYS 56 0.925 -5.346 -4.987 427 1HE LYS 56 1HE LYS 56 -0.407 -3.706 -6.344 428 2HE LYS 56 2HE LYS 56 0.977 -3.525 -7.437 429 1HZ LYS 56 1HZ LYS 56 0.835 -5.892 -7.849 430 2HZ LYS 56 2HZ LYS 56 -0.563 -5.134 -8.269 431 3HZ LYS 56 3HZ LYS 56 -0.497 -6.006 -6.884 432 H LEU 57 H LEU 57 4.460 -0.875 -2.456 433 HA LEU 57 HA LEU 57 6.448 0.720 -4.022 434 1HB LEU 57 1HB LEU 57 5.584 1.750 -1.927 435 2HB LEU 57 2HB LEU 57 6.176 0.348 -1.033 436 HG LEU 57 HG LEU 57 8.487 1.159 -2.370 437 1HD1 LEU 57 1HD2 LEU 57 8.337 0.655 -0.013 438 2HD1 LEU 57 2HD2 LEU 57 7.365 2.134 0.262 439 3HD1 LEU 57 3HD2 LEU 57 9.068 2.257 -0.204 440 1HD2 LEU 57 1HD1 LEU 57 7.317 3.169 -3.300 441 2HD2 LEU 57 2HD1 LEU 57 6.967 3.686 -1.641 442 3HD2 LEU 57 3HD1 LEU 57 8.641 3.584 -2.201 443 H ASN 58 H ASN 58 8.285 -0.222 -4.677 444 HA ASN 58 HA ASN 58 8.900 -2.952 -3.761 445 1HB ASN 58 1HB ASN 58 9.330 -2.259 -6.085 446 2HB ASN 58 2HB ASN 58 10.540 -1.107 -5.519 447 1HD2 ASN 58 2HD2 ASN 58 10.232 -4.152 -6.795 448 2HD2 ASN 58 1HD2 ASN 58 11.710 -4.856 -6.159 449 H THR 59 H THR 59 9.655 -3.250 -1.849 450 HA THR 59 HA THR 59 10.694 -1.183 -0.151 451 HB THR 59 HB THR 59 10.757 -4.205 0.259 452 HG1 THR 59 HG1 THR 59 8.676 -3.639 -0.274 453 1HG2 THR 59 1HG2 THR 59 10.503 -3.647 2.631 454 2HG2 THR 59 2HG2 THR 59 11.950 -2.836 2.004 455 3HG2 THR 59 3HG2 THR 59 10.444 -1.919 2.249 456 H ASP 60 HN ASP 60 12.199 -3.689 -2.132 457 HA ASP 60 HA ASP 60 14.812 -3.657 -0.901 458 1HB ASP 60 1HB ASP 60 13.590 -5.425 -2.404 459 2HB ASP 60 2HB ASP 60 14.166 -4.469 -3.761 460 H GLU 61 HN GLU 61 13.227 -2.114 -3.598 461 HA GLU 61 HA GLU 61 15.497 -0.541 -4.517 462 1HB GLU 61 2HB GLU 61 13.513 -1.521 -5.868 463 2HB GLU 61 1HB GLU 61 12.551 -0.210 -5.162 464 1HG GLU 61 1HG GLU 61 13.211 0.511 -7.297 465 2HG GLU 61 2HG GLU 61 14.254 1.412 -6.203 466 H SER 62 H SER 62 12.812 -0.082 -2.282 467 HA SER 62 HA SER 62 13.545 2.786 -1.844 468 1HB SER 62 2HB SER 62 11.319 2.237 -2.916 469 2HB SER 62 1HB SER 62 10.869 1.421 -1.417 470 HG SER 62 HG SER 62 11.222 3.348 -0.320 471 HA PRO 63 HA PRO 63 14.094 0.163 2.109 472 1HB PRO 63 1HB PRO 63 16.764 0.660 2.534 473 2HB PRO 63 2HB PRO 63 16.154 -0.724 1.572 474 1HG PRO 63 1HG PRO 63 17.125 1.967 0.563 475 2HG PRO 63 2HG PRO 63 17.575 0.340 -0.035 476 1HD PRO 63 1HD PRO 63 15.666 1.780 -1.287 477 2HD PRO 63 2HD PRO 63 15.428 0.027 -1.026 478 H ASN 64 H ASN 64 15.044 3.280 0.887 479 HA ASN 64 HA ASN 64 15.601 4.738 3.255 480 1HB ASN 64 1HB ASN 64 14.211 5.647 0.693 481 2HB ASN 64 2HB ASN 64 14.797 6.733 1.961 482 1HD2 ASN 64 1HD2 ASN 64 15.723 7.124 -0.602 483 2HD2 ASN 64 2HD2 ASN 64 17.409 6.617 -0.673 484 H VAL 65 H VAL 65 12.505 4.631 1.515 485 HA VAL 65 HA VAL 65 10.890 5.788 3.514 486 HB VAL 65 HB VAL 65 10.173 3.723 1.383 487 1HG1 VAL 65 1HG2 VAL 65 7.913 4.570 1.541 488 2HG1 VAL 65 2HG2 VAL 65 8.402 5.738 2.795 489 3HG1 VAL 65 3HG2 VAL 65 8.420 3.996 3.137 490 1HG2 VAL 65 1HG1 VAL 65 11.222 5.675 0.368 491 2HG2 VAL 65 2HG1 VAL 65 10.238 6.775 1.351 492 3HG2 VAL 65 3HG1 VAL 65 9.472 5.768 0.101 493 H ALA 66 H ALA 66 11.461 2.389 2.704 494 HA ALA 66 HA ALA 66 9.991 1.105 4.628 495 1HB ALA 66 1HB ALA 66 11.461 0.058 2.826 496 2HB ALA 66 2HB ALA 66 12.820 0.221 3.961 497 3HB ALA 66 3HB ALA 66 11.439 -0.789 4.389 498 H SER 67 H SER 67 13.305 2.383 5.099 499 HA SER 67 HA SER 67 13.522 1.617 7.855 500 1HB SER 67 1HB SER 67 14.998 3.814 6.328 501 2HB SER 67 2HB SER 67 15.478 3.080 7.869 502 HG SER 67 HG SER 67 15.270 1.806 5.336 503 H GLU 68 HN GLU 68 12.682 4.688 6.250 504 HA GLU 68 HA GLU 68 12.409 6.324 8.546 505 1HB GLU 68 1HB GLU 68 10.944 6.352 5.878 506 2HB GLU 68 2HB GLU 68 10.809 7.642 7.073 507 1HG GLU 68 1HG GLU 68 13.057 8.310 6.830 508 2HG GLU 68 2HG GLU 68 13.548 6.797 6.070 509 H TYR 69 H TYR 69 9.948 4.297 6.913 510 HA TYR 69 HA TYR 69 7.880 4.956 8.886 511 1HB TYR 69 2HB TYR 69 8.090 3.168 6.451 512 2HB TYR 69 1HB TYR 69 6.772 2.984 7.584 513 HD1 TYR 69 HD1 TYR 69 8.452 5.488 5.349 514 HD2 TYR 69 HD2 TYR 69 4.933 4.569 7.659 515 HE1 TYR 69 HE1 TYR 69 7.301 7.447 4.376 516 HE2 TYR 69 HE2 TYR 69 3.774 6.515 6.660 517 HH TYR 69 HH TYR 69 4.048 8.442 5.383 518 H GLY 70 H GLY 70 10.183 2.292 8.370 519 1HA GLY 70 2HA GLY 70 11.005 0.899 10.066 520 2HA GLY 70 1HA GLY 70 9.669 1.350 11.137 521 H ILE 71 H ILE 71 9.926 0.059 7.814 522 HA ILE 71 HA ILE 71 7.626 -1.689 8.140 523 HB ILE 71 HB ILE 71 9.717 -1.472 5.941 524 1HG1 ILE 71 1HG1 ILE 71 8.470 0.656 6.338 525 2HG1 ILE 71 2HG1 ILE 71 8.147 -0.106 4.794 526 1HG2 ILE 71 1HG2 ILE 71 8.616 -3.586 5.664 527 2HG2 ILE 71 2HG2 ILE 71 7.834 -2.474 4.540 528 3HG2 ILE 71 3HG2 ILE 71 7.036 -2.902 6.073 529 1HD1 ILE 71 1HD1 ILE 71 6.136 0.861 5.792 530 2HD1 ILE 71 2HD1 ILE 71 6.283 -0.204 7.193 531 3HD1 ILE 71 3HD1 ILE 71 5.963 -0.883 5.572 532 H ARG 72 HN ARG 72 8.283 -2.797 10.017 533 HA ARG 72 HA ARG 72 10.511 -4.644 9.963 534 1HB ARG 72 1HB ARG 72 9.677 -3.666 12.004 535 2HB ARG 72 2HB ARG 72 8.089 -4.420 11.803 536 1HG ARG 72 1HG ARG 72 8.885 -6.574 12.292 537 2HG ARG 72 2HG ARG 72 10.550 -6.183 11.859 538 1HD ARG 72 1HD ARG 72 9.031 -5.077 14.272 539 2HD ARG 72 2HD ARG 72 10.124 -6.453 14.357 540 HE ARG 72 HE ARG 72 10.804 -3.634 14.245 541 1HH1 ARG 72 2HH2 ARG 72 12.013 -6.855 13.458 542 2HH1 ARG 72 1HH2 ARG 72 13.695 -6.406 13.546 543 1HH2 ARG 72 1HH1 ARG 72 12.989 -3.021 14.349 544 2HH2 ARG 72 2HH1 ARG 72 14.257 -4.179 14.052 545 H SER 73 H SER 73 9.911 -5.444 7.828 546 HA SER 73 HA SER 73 9.802 -7.536 6.795 547 1HB SER 73 1HB SER 73 7.422 -8.323 8.525 548 2HB SER 73 2HB SER 73 8.409 -9.356 7.484 549 HG SER 73 HG SER 73 9.043 -8.151 9.937 550 H ILE 74 H ILE 74 8.078 -8.525 5.259 551 HA ILE 74 HA ILE 74 5.915 -6.643 4.657 552 HB ILE 74 HB ILE 74 6.560 -6.781 2.216 553 1HG1 ILE 74 1HG1 ILE 74 9.291 -7.638 3.192 554 2HG1 ILE 74 2HG1 ILE 74 8.121 -8.692 2.377 555 1HG2 ILE 74 1HG2 ILE 74 8.040 -4.882 2.371 556 2HG2 ILE 74 2HG2 ILE 74 8.613 -5.377 3.973 557 3HG2 ILE 74 3HG2 ILE 74 6.946 -4.801 3.747 558 1HD1 ILE 74 1HD1 ILE 74 8.025 -6.985 0.491 559 2HD1 ILE 74 2HD1 ILE 74 9.532 -7.870 0.637 560 3HD1 ILE 74 3HD1 ILE 74 9.447 -6.207 1.223 561 HA PRO 75 HA PRO 75 4.373 -6.846 2.481 562 1HB PRO 75 2HB PRO 75 1.697 -7.301 2.671 563 2HB PRO 75 1HB PRO 75 2.738 -8.033 1.432 564 1HG PRO 75 1HG PRO 75 1.898 -9.184 4.112 565 2HG PRO 75 2HG PRO 75 1.745 -9.991 2.514 566 1HD PRO 75 1HD PRO 75 3.848 -10.515 4.167 567 2HD PRO 75 2HD PRO 75 4.115 -10.354 2.411 568 H THR 76 H THR 76 3.554 -5.040 3.215 569 HA THR 76 HA THR 76 2.384 -4.773 5.874 570 HB THR 76 HB THR 76 4.966 -3.374 5.073 571 HG1 THR 76 HG1 THR 76 5.610 -4.935 6.394 572 1HG2 THR 76 1HG2 THR 76 2.898 -2.623 7.184 573 2HG2 THR 76 2HG2 THR 76 3.556 -1.596 5.896 574 3HG2 THR 76 3HG2 THR 76 4.588 -2.091 7.250 575 H ILE 77 H ILE 77 0.586 -3.708 5.432 576 HA ILE 77 HA ILE 77 0.424 -2.062 2.948 577 HB ILE 77 HB ILE 77 -1.089 -3.862 2.825 578 1HG1 ILE 77 1HG1 ILE 77 -1.921 -1.455 2.328 579 2HG1 ILE 77 2HG1 ILE 77 -3.047 -2.807 2.358 580 1HG2 ILE 77 1HG2 ILE 77 -2.019 -3.155 5.640 581 2HG2 ILE 77 2HG2 ILE 77 -1.201 -4.647 5.122 582 3HG2 ILE 77 3HG2 ILE 77 -2.823 -4.299 4.548 583 1HD1 ILE 77 1HD1 ILE 77 -2.755 -0.834 4.665 584 2HD1 ILE 77 2HD1 ILE 77 -3.907 -2.175 4.547 585 3HD1 ILE 77 3HD1 ILE 77 -4.007 -0.827 3.423 586 H MET 78 H MET 78 -0.125 0.098 3.157 587 HA MET 78 HA MET 78 -0.849 1.075 5.867 588 1HB MET 78 2HB MET 78 0.983 2.694 4.126 589 2HB MET 78 1HB MET 78 0.557 2.921 5.814 590 1HG MET 78 2HG MET 78 1.741 0.713 6.273 591 2HG MET 78 1HG MET 78 2.344 0.787 4.629 592 1HE MET 78 1HE MET 78 4.679 1.981 8.033 593 2HE MET 78 2HE MET 78 2.946 1.707 8.297 594 3HE MET 78 3HE MET 78 3.912 0.499 7.420 595 H VAL 79 H VAL 79 -2.148 2.763 5.863 596 HA VAL 79 HA VAL 79 -3.665 3.385 3.353 597 HB VAL 79 HB VAL 79 -4.564 3.257 6.265 598 1HG1 VAL 79 1HG1 VAL 79 -5.492 1.747 3.784 599 2HG1 VAL 79 2HG1 VAL 79 -6.200 1.613 5.408 600 3HG1 VAL 79 3HG1 VAL 79 -4.536 1.078 5.126 601 1HG2 VAL 79 1HG2 VAL 79 -6.785 4.001 5.459 602 2HG2 VAL 79 2HG2 VAL 79 -6.098 4.307 3.844 603 3HG2 VAL 79 3HG2 VAL 79 -5.593 5.264 5.238 604 H PHE 80 H PHE 80 -3.860 5.523 2.873 605 HA PHE 80 HA PHE 80 -2.989 7.571 4.837 606 1HB PHE 80 1HB PHE 80 -2.536 7.719 1.847 607 2HB PHE 80 2HB PHE 80 -1.984 8.860 3.038 608 HD1 PHE 80 HD1 PHE 80 -1.556 5.280 1.950 609 HD2 PHE 80 HD2 PHE 80 0.272 8.684 3.857 610 HE1 PHE 80 HE1 PHE 80 0.465 3.974 2.355 611 HE2 PHE 80 HE2 PHE 80 2.360 7.403 4.132 612 HZ PHE 80 HZ PHE 80 2.457 5.010 3.452 613 H LYS 81 HN LYS 81 -4.491 9.181 4.967 614 HA LYS 81 HA LYS 81 -7.042 8.693 3.460 615 1HB LYS 81 2HB LYS 81 -8.211 9.638 5.233 616 2HB LYS 81 1HB LYS 81 -7.042 8.545 5.960 617 1HG LYS 81 2HG LYS 81 -6.970 11.598 5.902 618 2HG LYS 81 1HG LYS 81 -7.260 10.536 7.280 619 1HD LYS 81 2HD LYS 81 -4.891 9.593 6.859 620 2HD LYS 81 1HD LYS 81 -4.635 11.003 5.825 621 1HE LYS 81 1HE LYS 81 -5.382 11.091 8.770 622 2HE LYS 81 2HE LYS 81 -3.780 11.390 8.080 623 1HZ LYS 81 1HZ LYS 81 -4.698 13.242 6.880 624 2HZ LYS 81 2HZ LYS 81 -4.931 13.421 8.501 625 3HZ LYS 81 3HZ LYS 81 -6.189 12.980 7.534 626 H GLY 82 H GLY 82 -4.506 11.035 3.904 627 1HA GLY 82 1HA GLY 82 -5.581 12.733 1.865 628 2HA GLY 82 2HA GLY 82 -5.645 13.494 3.470 629 H GLY 83 H GLY 83 -3.481 11.665 1.296 630 1HA GLY 83 1HA GLY 83 -1.290 11.897 0.789 631 2HA GLY 83 2HA GLY 83 -1.210 13.420 1.659 632 H LYS 84 HN LYS 84 -1.726 12.844 4.190 633 HA LYS 84 HA LYS 84 0.576 11.263 5.074 634 1HB LYS 84 2HB LYS 84 -1.549 12.664 6.730 635 2HB LYS 84 1HB LYS 84 0.009 12.090 7.306 636 1HG LYS 84 2HG LYS 84 -0.489 14.359 5.328 637 2HG LYS 84 1HG LYS 84 0.086 14.507 6.979 638 1HD LYS 84 1HD LYS 84 1.585 13.260 4.619 639 2HD LYS 84 2HD LYS 84 1.921 14.804 5.385 640 1HE LYS 84 1HE LYS 84 2.265 12.061 6.687 641 2HE LYS 84 2HE LYS 84 3.542 13.132 6.105 642 1HZ LYS 84 1HZ LYS 84 2.853 14.748 7.725 643 2HZ LYS 84 2HZ LYS 84 3.264 13.324 8.445 644 3HZ LYS 84 3HZ LYS 84 1.678 13.737 8.286 645 H LYS 85 HN LYS 85 0.434 9.730 6.749 646 HA LYS 85 HA LYS 85 -1.093 7.470 5.949 647 1HB LYS 85 2HB LYS 85 1.293 7.757 7.100 648 2HB LYS 85 1HB LYS 85 0.352 7.611 8.583 649 1HG LYS 85 2HG LYS 85 -0.601 5.403 7.379 650 2HG LYS 85 1HG LYS 85 0.747 5.660 6.286 651 1HD LYS 85 1HD LYS 85 1.802 4.304 7.789 652 2HD LYS 85 2HD LYS 85 2.103 5.821 8.639 653 1HE LYS 85 1HE LYS 85 -0.147 3.808 9.145 654 2HE LYS 85 2HE LYS 85 1.255 4.098 10.186 655 1HZ LYS 85 1HZ LYS 85 -0.721 5.171 10.994 656 2HZ LYS 85 2HZ LYS 85 -0.873 6.038 9.607 657 3HZ LYS 85 3HZ LYS 85 0.418 6.294 10.596 658 H CYS 86 H CYS 86 -2.466 6.171 7.314 659 HA CYS 86 HA CYS 86 -3.969 7.587 9.479 660 1HB CYS 86 1HB CYS 86 -5.226 7.450 7.281 661 2HB CYS 86 2HB CYS 86 -5.161 5.695 7.400 662 HG CYS 86 HG CYS 86 -6.218 7.738 9.762 663 H GLU 87 HN GLU 87 -3.681 4.332 7.973 664 HA GLU 87 HA GLU 87 -3.010 3.118 10.599 665 1HB GLU 87 1HB GLU 87 -5.233 2.143 8.744 666 2HB GLU 87 2HB GLU 87 -4.706 1.346 10.230 667 1HG GLU 87 1HG GLU 87 -6.080 4.060 10.030 668 2HG GLU 87 2HG GLU 87 -6.796 2.575 10.590 669 H THR 88 H THR 88 -2.487 0.660 10.197 670 HA THR 88 HA THR 88 -1.579 -0.045 7.584 671 HB THR 88 HB THR 88 0.312 1.404 8.123 672 HG1 THR 88 HG1 THR 88 0.788 -0.796 7.395 673 1HG2 THR 88 1HG2 THR 88 0.480 -0.054 10.806 674 2HG2 THR 88 2HG2 THR 88 1.648 1.128 10.204 675 3HG2 THR 88 3HG2 THR 88 -0.003 1.639 10.575 676 H ILE 89 H ILE 89 -0.778 -2.270 7.531 677 HA ILE 89 HA ILE 89 -1.056 -3.834 10.018 678 HB ILE 89 HB ILE 89 -2.497 -4.513 7.413 679 1HG1 ILE 89 1HG1 ILE 89 -3.766 -2.920 8.828 680 2HG1 ILE 89 2HG1 ILE 89 -4.522 -4.499 8.649 681 1HG2 ILE 89 1HG2 ILE 89 -3.290 -6.540 8.708 682 2HG2 ILE 89 2HG2 ILE 89 -2.048 -6.178 9.922 683 3HG2 ILE 89 3HG2 ILE 89 -1.587 -6.571 8.254 684 1HD1 ILE 89 1HD1 ILE 89 -4.725 -3.595 10.946 685 2HD1 ILE 89 2HD1 ILE 89 -3.902 -5.158 10.906 686 3HD1 ILE 89 3HD1 ILE 89 -2.974 -3.663 11.140 687 H ILE 90 H ILE 90 0.229 -5.678 9.947 688 HA ILE 90 HA ILE 90 2.342 -5.798 7.835 689 HB ILE 90 HB ILE 90 2.645 -5.934 10.880 690 1HG1 ILE 90 1HG1 ILE 90 3.725 -3.861 8.930 691 2HG1 ILE 90 2HG1 ILE 90 2.348 -3.611 10.008 692 1HG2 ILE 90 1HG2 ILE 90 5.087 -6.152 10.419 693 2HG2 ILE 90 2HG2 ILE 90 4.748 -6.223 8.681 694 3HG2 ILE 90 3HG2 ILE 90 4.193 -7.506 9.770 695 1HD1 ILE 90 1HD1 ILE 90 4.210 -2.581 11.032 696 2HD1 ILE 90 2HD1 ILE 90 3.873 -4.052 11.964 697 3HD1 ILE 90 3HD1 ILE 90 5.243 -3.997 10.825 698 H GLY 91 H GLY 91 2.846 -7.865 7.214 699 1HA GLY 91 1HA GLY 91 3.303 -10.145 7.879 700 2HA GLY 91 2HA GLY 91 1.862 -10.160 8.898 701 H ALA 92 H ALA 92 2.471 -12.044 6.882 702 HA ALA 92 HA ALA 92 1.053 -11.529 4.426 703 1HB ALA 92 1HB ALA 92 2.980 -13.068 4.630 704 2HB ALA 92 2HB ALA 92 1.537 -13.907 4.018 705 3HB ALA 92 3HB ALA 92 2.034 -14.117 5.708 706 H VAL 93 H VAL 93 -0.860 -10.787 6.158 707 HA VAL 93 HA VAL 93 -2.666 -13.062 6.710 708 HB VAL 93 HB VAL 93 -4.237 -11.389 7.497 709 1HG1 VAL 93 1HG2 VAL 93 -2.131 -9.289 6.809 710 2HG1 VAL 93 2HG2 VAL 93 -3.622 -9.030 7.730 711 3HG1 VAL 93 3HG2 VAL 93 -3.714 -9.493 6.026 712 1HG2 VAL 93 1HG1 VAL 93 -2.509 -12.316 9.019 713 2HG2 VAL 93 2HG1 VAL 93 -1.442 -10.947 8.637 714 3HG2 VAL 93 3HG1 VAL 93 -2.985 -10.668 9.465 715 HA PRO 94 HA PRO 94 -4.240 -13.021 2.589 716 1HB PRO 94 2HB PRO 94 -7.021 -13.224 3.675 717 2HB PRO 94 1HB PRO 94 -6.239 -14.248 2.448 718 1HG PRO 94 1HG PRO 94 -6.542 -15.165 5.009 719 2HG PRO 94 2HG PRO 94 -5.048 -15.486 4.081 720 1HD PRO 94 2HD PRO 94 -5.478 -13.437 6.250 721 2HD PRO 94 1HD PRO 94 -4.076 -14.482 5.912 722 H LYS 95 HN LYS 95 -5.151 -11.581 1.095 723 HA LYS 95 HA LYS 95 -5.332 -8.909 1.869 724 1HB LYS 95 2HB LYS 95 -4.751 -9.736 -0.424 725 2HB LYS 95 1HB LYS 95 -6.444 -10.179 -0.668 726 1HG LYS 95 2HG LYS 95 -5.995 -8.066 -1.747 727 2HG LYS 95 1HG LYS 95 -7.086 -7.781 -0.397 728 1HD LYS 95 1HD LYS 95 -5.028 -6.971 0.908 729 2HD LYS 95 2HD LYS 95 -4.087 -7.208 -0.570 730 1HE LYS 95 1HE LYS 95 -5.602 -5.601 -1.748 731 2HE LYS 95 2HE LYS 95 -6.541 -5.400 -0.260 732 1HZ LYS 95 1HZ LYS 95 -4.967 -3.651 -0.560 733 2HZ LYS 95 2HZ LYS 95 -3.707 -4.712 -0.569 734 3HZ LYS 95 3HZ LYS 95 -4.610 -4.516 0.794 735 H ALA 96 H ALA 96 -7.921 -11.342 1.450 736 HA ALA 96 HA ALA 96 -10.195 -9.730 1.642 737 1HB ALA 96 1HB ALA 96 -10.260 -12.184 1.395 738 2HB ALA 96 2HB ALA 96 -9.674 -12.383 3.062 739 3HB ALA 96 3HB ALA 96 -11.267 -11.659 2.759 740 H THR 97 H THR 97 -8.076 -10.841 4.339 741 HA THR 97 HA THR 97 -9.526 -9.731 6.484 742 HB THR 97 HB THR 97 -6.502 -9.812 6.564 743 HG1 THR 97 HG1 THR 97 -6.643 -11.544 5.391 744 1HG2 THR 97 1HG2 THR 97 -8.659 -11.101 8.295 745 2HG2 THR 97 2HG2 THR 97 -7.877 -9.534 8.628 746 3HG2 THR 97 3HG2 THR 97 -6.920 -11.031 8.642 747 H ILE 98 H ILE 98 -6.862 -8.488 4.469 748 HA ILE 98 HA ILE 98 -6.569 -5.947 5.744 749 HB ILE 98 HB ILE 98 -5.951 -6.893 2.903 750 1HG1 ILE 98 1HG1 ILE 98 -4.625 -8.143 4.386 751 2HG1 ILE 98 2HG1 ILE 98 -3.597 -6.875 3.735 752 1HG2 ILE 98 1HG2 ILE 98 -6.128 -4.485 2.809 753 2HG2 ILE 98 2HG2 ILE 98 -4.414 -4.890 2.860 754 3HG2 ILE 98 3HG2 ILE 98 -5.230 -4.296 4.324 755 1HD1 ILE 98 1HD1 ILE 98 -4.122 -5.559 5.922 756 2HD1 ILE 98 2HD1 ILE 98 -3.066 -6.975 6.034 757 3HD1 ILE 98 3HD1 ILE 98 -4.762 -7.096 6.531 758 H VAL 99 H VAL 99 -8.535 -6.932 2.904 759 HA VAL 99 HA VAL 99 -9.629 -4.430 2.249 760 HB VAL 99 HB VAL 99 -10.677 -7.279 2.032 761 1HG1 VAL 99 1HG1 VAL 99 -12.702 -5.990 2.105 762 2HG1 VAL 99 2HG1 VAL 99 -12.364 -6.321 0.405 763 3HG1 VAL 99 3HG1 VAL 99 -11.993 -4.719 1.085 764 1HG2 VAL 99 1HG2 VAL 99 -8.690 -6.464 0.650 765 2HG2 VAL 99 2HG2 VAL 99 -9.801 -5.319 -0.116 766 3HG2 VAL 99 3HG2 VAL 99 -10.082 -7.075 -0.257 767 H GLN 100 H GLN 100 -10.947 -6.956 4.481 768 HA GLN 100 HA GLN 100 -13.169 -5.454 5.322 769 1HB GLN 100 1HB GLN 100 -12.441 -7.895 5.810 770 2HB GLN 100 2HB GLN 100 -11.593 -7.275 7.213 771 1HG GLN 100 2HG GLN 100 -14.529 -6.589 6.743 772 2HG GLN 100 1HG GLN 100 -14.073 -8.189 7.324 773 1HE2 GLN 100 1HE2 GLN 100 -13.482 -4.677 8.180 774 2HE2 GLN 100 2HE2 GLN 100 -13.426 -5.057 9.890 775 H THR 101 H THR 101 -9.885 -5.595 6.682 776 HA THR 101 HA THR 101 -10.281 -3.740 8.802 777 HB THR 101 HB THR 101 -7.688 -4.329 7.298 778 HG1 THR 101 HG1 THR 101 -8.635 -6.250 7.998 779 1HG2 THR 101 1HG2 THR 101 -7.421 -2.479 8.845 780 2HG2 THR 101 2HG2 THR 101 -8.275 -3.362 10.132 781 3HG2 THR 101 3HG2 THR 101 -6.694 -3.925 9.559 782 H VAL 102 H VAL 102 -9.427 -3.175 5.371 783 HA VAL 102 HA VAL 102 -8.870 -0.358 5.709 784 HB VAL 102 HB VAL 102 -9.472 -2.130 3.314 785 1HG1 VAL 102 1HG1 VAL 102 -6.931 -0.633 4.097 786 2HG1 VAL 102 2HG1 VAL 102 -7.122 -1.879 2.845 787 3HG1 VAL 102 3HG1 VAL 102 -7.227 -2.310 4.557 788 1HG2 VAL 102 1HG2 VAL 102 -8.749 -0.244 1.883 789 2HG2 VAL 102 2HG2 VAL 102 -8.723 0.819 3.303 790 3HG2 VAL 102 3HG2 VAL 102 -10.259 0.136 2.717 791 H GLU 103 HN GLU 103 -11.688 -2.176 4.478 792 HA GLU 103 HA GLU 103 -13.429 -0.011 4.026 793 1HB GLU 103 2HB GLU 103 -13.931 -2.904 4.851 794 2HB GLU 103 1HB GLU 103 -15.216 -1.775 4.403 795 1HG GLU 103 1HG GLU 103 -14.223 -1.419 2.193 796 2HG GLU 103 2HG GLU 103 -12.892 -2.517 2.565 797 H LYS 104 HN LYS 104 -12.862 -1.878 6.994 798 HA LYS 104 HA LYS 104 -14.736 -0.744 8.735 799 1HB LYS 104 1HB LYS 104 -13.232 -2.548 9.398 800 2HB LYS 104 2HB LYS 104 -11.836 -1.511 9.131 801 1HG LYS 104 2HG LYS 104 -12.766 -0.015 11.044 802 2HG LYS 104 1HG LYS 104 -13.787 -1.418 11.415 803 1HD LYS 104 2HD LYS 104 -11.596 -2.786 11.375 804 2HD LYS 104 1HD LYS 104 -10.736 -1.253 11.215 805 1HE LYS 104 2HE LYS 104 -12.541 -2.080 13.548 806 2HE LYS 104 1HE LYS 104 -10.772 -2.008 13.571 807 1HZ LYS 104 1HZ LYS 104 -12.585 0.273 13.200 808 2HZ LYS 104 2HZ LYS 104 -10.940 0.355 13.167 809 3HZ LYS 104 3HZ LYS 104 -11.717 -0.076 14.555 810 H TYR 105 H TYR 105 -11.556 0.609 7.713 811 HA TYR 105 HA TYR 105 -11.863 2.974 9.432 812 1HB TYR 105 2HB TYR 105 -9.899 2.327 7.232 813 2HB TYR 105 1HB TYR 105 -9.734 3.646 8.397 814 HD1 TYR 105 HD1 TYR 105 -10.391 2.016 10.944 815 HD2 TYR 105 HD2 TYR 105 -7.905 1.204 7.509 816 HE1 TYR 105 HE1 TYR 105 -8.962 0.535 12.315 817 HE2 TYR 105 HE2 TYR 105 -6.498 -0.289 8.885 818 HH TYR 105 HH TYR 105 -7.102 -0.837 12.356 819 H LEU 106 H LEU 106 -11.757 2.336 5.886 820 HA LEU 106 HA LEU 106 -12.894 5.013 5.291 821 1HB LEU 106 2HB LEU 106 -11.915 2.736 3.520 822 2HB LEU 106 1HB LEU 106 -12.678 4.218 2.937 823 HG LEU 106 HG LEU 106 -10.708 5.179 4.712 824 1HD1 LEU 106 1HD1 LEU 106 -10.671 4.889 1.686 825 2HD1 LEU 106 2HD1 LEU 106 -9.657 6.000 2.644 826 3HD1 LEU 106 3HD1 LEU 106 -11.420 6.206 2.617 827 1HD2 LEU 106 1HD2 LEU 106 -8.644 4.127 3.951 828 2HD2 LEU 106 2HD2 LEU 106 -9.683 2.927 4.749 829 3HD2 LEU 106 3HD2 LEU 106 -9.567 2.967 2.971 830 H ASN 107 H ASN 107 -14.600 4.300 6.662 831 HA ASN 107 HA ASN 107 -16.731 2.644 5.364 832 1HB ASN 107 1HB ASN 107 -16.001 2.402 7.840 833 2HB ASN 107 2HB ASN 107 -16.861 3.919 8.117 834 1HD2 ASN 107 2HD2 ASN 107 -19.099 3.388 6.264 835 2HD2 ASN 107 1HD2 ASN 107 -20.027 2.075 7.003 Start of MODEL 3 1 1H MET 1 1H MET 1 -3.290 -3.281 -11.534 2 2H MET 1 2H MET 1 -2.938 -3.446 -13.129 3 3H MET 1 3H MET 1 -2.219 -2.241 -12.240 4 HA MET 1 HA MET 1 -3.951 -1.461 -13.721 5 1HB MET 1 2HB MET 1 -5.449 -3.430 -13.348 6 2HB MET 1 1HB MET 1 -5.761 -2.903 -11.698 7 1HG MET 1 1HG MET 1 -7.584 -2.235 -13.171 8 2HG MET 1 2HG MET 1 -6.761 -0.781 -12.624 9 1HE MET 1 1HE MET 1 -7.566 0.903 -14.373 10 2HE MET 1 2HE MET 1 -8.721 -0.384 -14.808 11 3HE MET 1 3HE MET 1 -7.813 0.468 -16.079 12 H GLU 2 HN GLU 2 -5.615 -1.235 -10.611 13 HA GLU 2 HA GLU 2 -4.886 1.539 -10.407 14 1HB GLU 2 1HB GLU 2 -6.119 -0.350 -8.358 15 2HB GLU 2 2HB GLU 2 -6.083 1.418 -8.246 16 1HG GLU 2 2HG GLU 2 -7.596 -0.246 -10.315 17 2HG GLU 2 1HG GLU 2 -8.270 0.684 -8.974 18 H ALA 3 H ALA 3 -3.788 -1.421 -8.810 19 HA ALA 3 HA ALA 3 -2.017 -0.234 -6.924 20 1HB ALA 3 1HB ALA 3 -1.868 -2.951 -8.276 21 2HB ALA 3 2HB ALA 3 -2.765 -2.555 -6.792 22 3HB ALA 3 3HB ALA 3 -0.999 -2.453 -6.809 23 H GLY 4 H GLY 4 -0.850 1.454 -7.915 24 1HA GLY 4 1HA GLY 4 0.885 0.995 -10.219 25 2HA GLY 4 2HA GLY 4 0.877 2.402 -9.142 26 H ALA 5 H ALA 5 3.346 1.857 -9.727 27 HA ALA 5 HA ALA 5 4.481 0.218 -7.500 28 1HB ALA 5 1HB ALA 5 5.597 0.637 -10.300 29 2HB ALA 5 2HB ALA 5 4.908 -0.874 -9.662 30 3HB ALA 5 3HB ALA 5 6.402 -0.215 -8.965 31 H VAL 6 H VAL 6 5.982 1.362 -6.230 32 HA VAL 6 HA VAL 6 6.888 4.003 -7.209 33 HB VAL 6 HB VAL 6 6.374 4.920 -4.844 34 1HG1 VAL 6 1HG1 VAL 6 5.709 2.910 -3.688 35 2HG1 VAL 6 2HG1 VAL 6 4.358 4.034 -3.748 36 3HG1 VAL 6 3HG1 VAL 6 4.374 2.621 -4.817 37 1HG2 VAL 6 1HG2 VAL 6 4.135 5.624 -5.476 38 2HG2 VAL 6 2HG2 VAL 6 5.303 5.788 -6.791 39 3HG2 VAL 6 3HG2 VAL 6 4.141 4.454 -6.820 40 H ASN 7 H ASN 7 8.385 5.025 -5.791 41 HA ASN 7 HA ASN 7 10.125 3.416 -4.096 42 1HB ASN 7 2HB ASN 7 11.256 2.958 -6.183 43 2HB ASN 7 1HB ASN 7 10.855 4.576 -6.801 44 1HD2 ASN 7 1HD2 ASN 7 13.137 2.822 -4.709 45 2HD2 ASN 7 2HD2 ASN 7 14.286 4.127 -4.645 46 H ASP 8 HN ASP 8 11.782 5.023 -3.305 47 HA ASP 8 HA ASP 8 10.928 7.112 -1.839 48 1HB ASP 8 2HB ASP 8 13.258 6.240 -1.932 49 2HB ASP 8 1HB ASP 8 13.531 7.064 -3.453 50 H ASP 9 HN ASP 9 12.138 7.480 -5.131 51 HA ASP 9 HA ASP 9 11.733 10.277 -5.451 52 1HB ASP 9 2HB ASP 9 13.050 8.973 -7.017 53 2HB ASP 9 1HB ASP 9 11.658 8.025 -7.516 54 H THR 10 H THR 10 9.682 7.796 -6.994 55 HA THR 10 HA THR 10 7.602 9.562 -7.722 56 HB THR 10 HB THR 10 6.385 7.320 -8.062 57 HG1 THR 10 HG1 THR 10 7.997 5.563 -7.975 58 1HG2 THR 10 1HG2 THR 10 7.698 8.459 -9.831 59 2HG2 THR 10 2HG2 THR 10 9.168 7.638 -9.274 60 3HG2 THR 10 3HG2 THR 10 7.824 6.697 -9.950 61 H PHE 11 H PHE 11 8.051 7.657 -4.808 62 HA PHE 11 HA PHE 11 5.645 7.526 -3.554 63 1HB PHE 11 2HB PHE 11 7.918 6.870 -2.679 64 2HB PHE 11 1HB PHE 11 8.212 8.538 -2.258 65 HD1 PHE 11 HD1 PHE 11 7.798 9.142 -0.020 66 HD2 PHE 11 HD2 PHE 11 5.775 5.736 -1.714 67 HE1 PHE 11 HE1 PHE 11 7.001 8.492 2.229 68 HE2 PHE 11 HE2 PHE 11 4.878 5.157 0.526 69 HZ PHE 11 HZ PHE 11 5.487 6.535 2.502 70 H LYS 12 HN LYS 12 7.736 10.301 -3.767 71 HA LYS 12 HA LYS 12 6.366 12.132 -2.091 72 1HB LYS 12 2HB LYS 12 7.928 12.773 -4.631 73 2HB LYS 12 1HB LYS 12 7.505 13.908 -3.339 74 1HG LYS 12 1HG LYS 12 8.798 12.435 -1.719 75 2HG LYS 12 2HG LYS 12 9.292 11.452 -3.103 76 1HD LYS 12 2HD LYS 12 10.301 13.502 -4.161 77 2HD LYS 12 1HD LYS 12 9.912 14.403 -2.683 78 1HE LYS 12 1HE LYS 12 12.229 13.687 -2.548 79 2HE LYS 12 2HE LYS 12 11.302 12.739 -1.373 80 1HZ LYS 12 1HZ LYS 12 12.790 11.355 -2.625 81 2HZ LYS 12 2HZ LYS 12 12.138 11.860 -4.050 82 3HZ LYS 12 3HZ LYS 12 11.248 10.953 -3.004 83 H ASN 13 H ASN 13 6.031 11.695 -5.636 84 HA ASN 13 HA ASN 13 3.873 13.628 -5.863 85 1HB ASN 13 1HB ASN 13 4.873 11.473 -7.770 86 2HB ASN 13 2HB ASN 13 3.794 12.800 -8.174 87 1HD2 ASN 13 2HD2 ASN 13 5.631 14.671 -6.319 88 2HD2 ASN 13 1HD2 ASN 13 6.942 14.976 -7.439 89 H VAL 14 H VAL 14 4.110 10.089 -5.885 90 HA VAL 14 HA VAL 14 1.264 9.748 -6.436 91 HB VAL 14 HB VAL 14 3.617 7.859 -5.963 92 1HG1 VAL 14 1HG1 VAL 14 3.846 9.223 -8.019 93 2HG1 VAL 14 2HG1 VAL 14 3.525 7.537 -8.421 94 3HG1 VAL 14 3HG1 VAL 14 2.218 8.733 -8.528 95 1HG2 VAL 14 1HG2 VAL 14 2.200 6.132 -7.110 96 2HG2 VAL 14 2HG2 VAL 14 1.658 6.550 -5.482 97 3HG2 VAL 14 3HG2 VAL 14 0.802 7.206 -6.901 98 H VAL 15 H VAL 15 3.136 9.834 -3.462 99 HA VAL 15 HA VAL 15 0.773 8.665 -2.023 100 HB VAL 15 HB VAL 15 3.667 8.396 -1.150 101 1HG1 VAL 15 1HG1 VAL 15 1.125 6.914 -0.381 102 2HG1 VAL 15 2HG1 VAL 15 1.929 8.176 0.581 103 3HG1 VAL 15 3HG1 VAL 15 2.750 6.643 0.278 104 1HG2 VAL 15 1HG2 VAL 15 1.994 6.471 -2.807 105 2HG2 VAL 15 2HG2 VAL 15 3.496 6.039 -1.973 106 3HG2 VAL 15 3HG2 VAL 15 3.521 7.220 -3.285 107 H LEU 16 H LEU 16 3.643 10.836 -1.592 108 HA LEU 16 HA LEU 16 2.534 11.895 0.867 109 1HB LEU 16 1HB LEU 16 4.660 13.164 -0.893 110 2HB LEU 16 2HB LEU 16 4.275 13.563 0.768 111 HG LEU 16 HG LEU 16 5.467 10.928 -0.211 112 1HD1 LEU 16 1HD1 LEU 16 6.586 13.107 1.613 113 2HD1 LEU 16 2HD1 LEU 16 6.985 12.964 -0.104 114 3HD1 LEU 16 3HD1 LEU 16 7.441 11.668 1.020 115 1HD2 LEU 16 1HD2 LEU 16 5.711 10.435 2.244 116 2HD2 LEU 16 2HD2 LEU 16 4.703 11.845 2.585 117 3HD2 LEU 16 3HD2 LEU 16 4.024 10.438 1.719 118 H GLU 17 HN GLU 17 2.791 13.348 -2.416 119 HA GLU 17 HA GLU 17 1.275 15.698 -1.623 120 1HB GLU 17 1HB GLU 17 2.184 14.622 -4.320 121 2HB GLU 17 2HB GLU 17 1.459 16.216 -4.073 122 1HG GLU 17 1HG GLU 17 3.283 16.938 -2.656 123 2HG GLU 17 2HG GLU 17 4.007 15.329 -2.636 124 H SER 18 H SER 18 0.213 12.532 -2.526 125 HA SER 18 HA SER 18 -1.923 12.926 -4.155 126 1HB SER 18 1HB SER 18 -1.860 11.018 -1.790 127 2HB SER 18 2HB SER 18 -2.594 10.770 -3.399 128 HG SER 18 HG SER 18 -0.581 9.842 -3.566 129 H SER 19 H SER 19 -4.035 13.640 -3.972 130 HA SER 19 HA SER 19 -4.906 15.081 -1.609 131 1HB SER 19 1HB SER 19 -6.932 15.329 -3.217 132 2HB SER 19 2HB SER 19 -5.383 16.032 -3.731 133 HG SER 19 HG SER 19 -6.304 14.754 -5.405 134 H VAL 20 H VAL 20 -6.288 12.475 -3.605 135 HA VAL 20 HA VAL 20 -8.098 11.619 -1.475 136 HB VAL 20 HB VAL 20 -8.947 10.049 -3.036 137 1HG1 VAL 20 1HG2 VAL 20 -7.989 9.675 -5.285 138 2HG1 VAL 20 2HG2 VAL 20 -6.904 9.102 -4.019 139 3HG1 VAL 20 3HG2 VAL 20 -6.563 10.638 -4.847 140 1HG2 VAL 20 1HG1 VAL 20 -8.287 12.565 -4.602 141 2HG2 VAL 20 2HG1 VAL 20 -9.554 12.424 -3.362 142 3HG2 VAL 20 3HG1 VAL 20 -9.650 11.460 -4.846 143 HA PRO 21 HA PRO 21 -5.620 8.724 0.612 144 1HB PRO 21 1HB PRO 21 -7.755 6.644 0.081 145 2HB PRO 21 2HB PRO 21 -6.871 6.958 1.610 146 1HG PRO 21 2HG PRO 21 -9.321 7.922 1.254 147 2HG PRO 21 1HG PRO 21 -8.076 9.029 1.905 148 1HD PRO 21 1HD PRO 21 -9.120 8.885 -0.949 149 2HD PRO 21 2HD PRO 21 -8.760 10.302 0.079 150 H VAL 22 H VAL 22 -4.351 6.863 0.508 151 HA VAL 22 HA VAL 22 -3.949 5.579 -2.159 152 HB VAL 22 HB VAL 22 -1.825 7.025 -0.519 153 1HG1 VAL 22 1HG1 VAL 22 -1.680 5.553 -3.172 154 2HG1 VAL 22 2HG1 VAL 22 -0.865 5.096 -1.653 155 3HG1 VAL 22 3HG1 VAL 22 -0.384 6.564 -2.508 156 1HG2 VAL 22 1HG2 VAL 22 -1.655 8.508 -2.495 157 2HG2 VAL 22 2HG2 VAL 22 -3.138 7.795 -3.147 158 3HG2 VAL 22 3HG2 VAL 22 -3.167 8.694 -1.613 159 H LEU 23 H LEU 23 -3.909 3.404 -1.817 160 HA LEU 23 HA LEU 23 -3.096 2.289 0.795 161 1HB LEU 23 2HB LEU 23 -5.188 1.702 -0.489 162 2HB LEU 23 1HB LEU 23 -4.230 0.896 -1.689 163 HG LEU 23 HG LEU 23 -3.779 0.163 1.212 164 1HD1 LEU 23 1HD2 LEU 23 -3.875 -1.401 -1.415 165 2HD1 LEU 23 2HD2 LEU 23 -3.570 -2.144 0.160 166 3HD1 LEU 23 3HD2 LEU 23 -2.405 -0.995 -0.504 167 1HD2 LEU 23 1HD1 LEU 23 -6.171 -0.762 -0.401 168 2HD2 LEU 23 2HD1 LEU 23 -6.190 0.229 1.085 169 3HD2 LEU 23 3HD1 LEU 23 -5.628 -1.449 1.150 170 H VAL 24 H VAL 24 -0.796 2.435 0.785 171 HA VAL 24 HA VAL 24 0.602 1.374 -1.667 172 HB VAL 24 HB VAL 24 1.385 3.498 -1.330 173 1HG1 VAL 24 1HG2 VAL 24 2.302 4.350 0.800 174 2HG1 VAL 24 2HG2 VAL 24 0.553 4.086 0.821 175 3HG1 VAL 24 3HG2 VAL 24 1.641 2.922 1.625 176 1HG2 VAL 24 1HG1 VAL 24 3.721 3.211 -0.863 177 2HG2 VAL 24 2HG1 VAL 24 3.429 1.744 0.085 178 3HG2 VAL 24 3HG1 VAL 24 3.134 1.746 -1.670 179 H ASP 25 HN ASP 25 1.394 -0.639 -1.579 180 HA ASP 25 HA ASP 25 1.741 -1.959 1.068 181 1HB ASP 25 1HB ASP 25 0.329 -3.167 -0.555 182 2HB ASP 25 2HB ASP 25 1.658 -3.133 -1.724 183 H PHE 26 H PHE 26 3.739 -2.088 1.898 184 HA PHE 26 HA PHE 26 6.077 -1.437 0.197 185 1HB PHE 26 1HB PHE 26 5.821 -2.253 3.107 186 2HB PHE 26 2HB PHE 26 7.329 -1.931 2.258 187 HD1 PHE 26 HD1 PHE 26 8.293 0.130 2.852 188 HD2 PHE 26 HD2 PHE 26 3.988 -0.051 2.508 189 HE1 PHE 26 HE1 PHE 26 8.066 2.198 4.203 190 HE2 PHE 26 HE2 PHE 26 3.833 2.177 3.484 191 HZ PHE 26 HZ PHE 26 5.820 3.167 4.604 192 H TRP 27 H TRP 27 6.934 -3.032 -1.066 193 HA TRP 27 HA TRP 27 6.666 -5.868 -0.175 194 1HB TRP 27 2HB TRP 27 5.911 -6.541 -2.330 195 2HB TRP 27 1HB TRP 27 4.870 -5.218 -1.844 196 HD1 TRP 27 HD1 TRP 27 5.755 -2.762 -2.927 197 HE1 TRP 27 HE1 TRP 27 6.904 -2.203 -5.189 198 HE3 TRP 27 HE3 TRP 27 6.977 -7.501 -4.370 199 HZ2 TRP 27 HZ2 TRP 27 8.434 -3.659 -7.167 200 HZ3 TRP 27 HZ3 TRP 27 8.092 -7.877 -6.550 201 HH2 TRP 27 HH2 TRP 27 8.841 -5.976 -7.937 202 H ALA 28 H ALA 28 7.869 -7.137 -2.185 203 HA ALA 28 HA ALA 28 10.079 -5.846 -3.383 204 1HB ALA 28 1HB ALA 28 11.139 -5.988 -1.150 205 2HB ALA 28 2HB ALA 28 10.749 -7.725 -1.071 206 3HB ALA 28 3HB ALA 28 11.910 -7.122 -2.270 207 HA PRO 29 HA PRO 29 9.273 -9.506 -5.870 208 1HB PRO 29 1HB PRO 29 11.805 -10.160 -6.840 209 2HB PRO 29 2HB PRO 29 10.697 -8.908 -7.489 210 1HG PRO 29 2HG PRO 29 12.979 -8.517 -5.534 211 2HG PRO 29 1HG PRO 29 12.628 -7.564 -7.008 212 1HD PRO 29 2HD PRO 29 11.809 -6.584 -4.649 213 2HD PRO 29 1HD PRO 29 10.662 -6.623 -5.981 214 H TRP 30 H TRP 30 12.055 -9.866 -3.605 215 HA TRP 30 HA TRP 30 11.771 -12.742 -3.496 216 1HB TRP 30 2HB TRP 30 13.158 -12.530 -1.451 217 2HB TRP 30 1HB TRP 30 13.844 -11.769 -2.878 218 HD1 TRP 30 HD1 TRP 30 14.634 -9.377 -2.654 219 HE1 TRP 30 HE1 TRP 30 14.578 -7.551 -0.862 220 HE3 TRP 30 HE3 TRP 30 11.472 -11.630 0.703 221 HZ2 TRP 30 HZ2 TRP 30 13.217 -7.064 1.635 222 HZ3 TRP 30 HZ3 TRP 30 10.754 -10.421 2.731 223 HH2 TRP 30 HH2 TRP 30 11.558 -8.121 3.179 224 H CYS 31 H CYS 31 9.754 -10.212 -2.250 225 HA CYS 31 HA CYS 31 8.982 -11.623 0.199 226 1HB CYS 31 1HB CYS 31 8.979 -9.118 0.018 227 2HB CYS 31 2HB CYS 31 7.679 -9.252 -1.143 228 H GLY 32 H GLY 32 8.478 -13.651 -0.994 229 1HA GLY 32 1HA GLY 32 6.429 -14.205 -2.726 230 2HA GLY 32 2HA GLY 32 6.722 -15.192 -1.288 231 HA PRO 33 HA PRO 33 3.066 -13.840 0.912 232 1HB PRO 33 1HB PRO 33 4.843 -11.894 2.438 233 2HB PRO 33 2HB PRO 33 3.465 -12.832 3.090 234 1HG PRO 33 2HG PRO 33 5.941 -13.769 3.437 235 2HG PRO 33 1HG PRO 33 4.675 -14.864 2.801 236 1HD PRO 33 1HD PRO 33 6.834 -13.345 1.286 237 2HD PRO 33 2HD PRO 33 6.336 -15.048 1.070 238 H CYS 34 H CYS 34 5.085 -11.177 -0.305 239 HA CYS 34 HA CYS 34 2.890 -9.210 -0.264 240 1HB CYS 34 2HB CYS 34 5.532 -8.972 -1.696 241 2HB CYS 34 1HB CYS 34 4.333 -7.742 -1.316 242 H ARG 35 HN ARG 35 4.892 -10.956 -2.636 243 HA ARG 35 HA ARG 35 3.761 -10.139 -5.014 244 1HB ARG 35 1HB ARG 35 5.756 -11.577 -4.798 245 2HB ARG 35 2HB ARG 35 4.790 -12.916 -4.234 246 1HG ARG 35 1HG ARG 35 5.401 -13.208 -6.591 247 2HG ARG 35 2HG ARG 35 3.662 -13.190 -6.333 248 1HD ARG 35 1HD ARG 35 3.696 -10.708 -7.096 249 2HD ARG 35 2HD ARG 35 5.392 -10.968 -7.494 250 HE ARG 35 HE ARG 35 4.753 -12.168 -9.350 251 1HH1 ARG 35 1HH1 ARG 35 1.904 -11.813 -7.217 252 2HH1 ARG 35 2HH1 ARG 35 0.802 -12.422 -8.412 253 1HH2 ARG 35 1HH2 ARG 35 3.279 -12.956 -10.881 254 2HH2 ARG 35 2HH2 ARG 35 1.581 -13.077 -10.515 255 H ILE 36 H ILE 36 2.835 -12.917 -3.044 256 HA ILE 36 HA ILE 36 0.658 -13.682 -4.773 257 HB ILE 36 HB ILE 36 -0.025 -15.249 -3.043 258 1HG1 ILE 36 2HG1 ILE 36 1.822 -15.285 -1.049 259 2HG1 ILE 36 1HG1 ILE 36 1.671 -13.541 -1.265 260 1HG2 ILE 36 1HG2 ILE 36 2.021 -16.559 -3.034 261 2HG2 ILE 36 2HG2 ILE 36 3.002 -15.130 -3.397 262 3HG2 ILE 36 3HG2 ILE 36 1.840 -15.737 -4.589 263 1HD1 ILE 36 1HD1 ILE 36 -0.579 -15.531 -0.715 264 2HD1 ILE 36 2HD1 ILE 36 -0.828 -13.793 -0.968 265 3HD1 ILE 36 3HD1 ILE 36 0.103 -14.365 0.431 266 H ILE 37 H ILE 37 0.643 -11.171 -2.198 267 HA ILE 37 HA ILE 37 -2.340 -11.201 -2.318 268 HB ILE 37 HB ILE 37 -2.305 -9.401 -0.730 269 1HG1 ILE 37 2HG1 ILE 37 0.702 -9.715 -0.536 270 2HG1 ILE 37 1HG1 ILE 37 -0.085 -8.382 -1.398 271 1HG2 ILE 37 1HG2 ILE 37 -0.536 -11.701 0.197 272 2HG2 ILE 37 2HG2 ILE 37 -1.653 -10.737 1.184 273 3HG2 ILE 37 3HG2 ILE 37 -2.289 -11.821 -0.051 274 1HD1 ILE 37 1HD1 ILE 37 0.522 -7.609 0.765 275 2HD1 ILE 37 2HD1 ILE 37 -1.247 -7.755 0.718 276 3HD1 ILE 37 3HD1 ILE 37 -0.268 -8.977 1.569 277 H ALA 38 H ALA 38 0.420 -9.420 -3.639 278 HA ALA 38 HA ALA 38 -0.518 -7.084 -4.465 279 1HB ALA 38 1HB ALA 38 0.849 -7.214 -6.461 280 2HB ALA 38 2HB ALA 38 1.667 -8.022 -5.112 281 3HB ALA 38 3HB ALA 38 0.895 -8.979 -6.392 282 HA PRO 39 HA PRO 39 -3.171 -8.576 -8.212 283 1HB PRO 39 1HB PRO 39 -4.166 -11.260 -7.348 284 2HB PRO 39 2HB PRO 39 -3.624 -10.737 -8.964 285 1HG PRO 39 1HG PRO 39 -2.077 -12.387 -7.430 286 2HG PRO 39 2HG PRO 39 -1.332 -11.058 -8.376 287 1HD PRO 39 1HD PRO 39 -2.170 -11.001 -5.457 288 2HD PRO 39 2HD PRO 39 -0.575 -10.610 -6.147 289 H VAL 40 H VAL 40 -3.833 -9.822 -4.973 290 HA VAL 40 HA VAL 40 -6.685 -9.443 -4.902 291 HB VAL 40 HB VAL 40 -4.699 -9.668 -2.594 292 1HG1 VAL 40 1HG1 VAL 40 -6.863 -8.815 -1.945 293 2HG1 VAL 40 2HG1 VAL 40 -7.660 -10.209 -2.722 294 3HG1 VAL 40 3HG1 VAL 40 -6.555 -10.440 -1.334 295 1HG2 VAL 40 1HG2 VAL 40 -4.458 -11.643 -4.072 296 2HG2 VAL 40 2HG2 VAL 40 -5.331 -12.072 -2.599 297 3HG2 VAL 40 3HG2 VAL 40 -6.225 -11.829 -4.113 298 H VAL 41 H VAL 41 -3.836 -7.681 -3.662 299 HA VAL 41 HA VAL 41 -5.014 -5.375 -2.573 300 HB VAL 41 HB VAL 41 -2.398 -5.762 -4.091 301 1HG1 VAL 41 1HG1 VAL 41 -2.633 -7.129 -2.000 302 2HG1 VAL 41 2HG1 VAL 41 -2.838 -5.624 -1.095 303 3HG1 VAL 41 3HG1 VAL 41 -1.320 -5.958 -1.957 304 1HG2 VAL 41 1HG2 VAL 41 -1.585 -3.710 -2.877 305 2HG2 VAL 41 2HG2 VAL 41 -3.277 -3.357 -2.481 306 3HG2 VAL 41 3HG2 VAL 41 -2.738 -3.440 -4.176 307 H ASP 42 HN ASP 42 -4.018 -6.042 -5.948 308 HA ASP 42 HA ASP 42 -4.803 -3.513 -6.953 309 1HB ASP 42 1HB ASP 42 -3.329 -5.410 -7.879 310 2HB ASP 42 2HB ASP 42 -4.760 -6.057 -8.639 311 H GLU 43 HN GLU 43 -6.555 -6.705 -7.313 312 HA GLU 43 HA GLU 43 -8.732 -5.490 -8.691 313 1HB GLU 43 1HB GLU 43 -9.901 -7.510 -8.328 314 2HB GLU 43 2HB GLU 43 -8.213 -7.927 -8.635 315 1HG GLU 43 1HG GLU 43 -7.885 -8.178 -6.180 316 2HG GLU 43 2HG GLU 43 -9.604 -7.852 -5.902 317 H ILE 44 H ILE 44 -7.896 -5.720 -5.269 318 HA ILE 44 HA ILE 44 -10.577 -4.937 -4.323 319 HB ILE 44 HB ILE 44 -7.833 -4.961 -3.017 320 1HG1 ILE 44 1HG1 ILE 44 -10.499 -6.371 -2.400 321 2HG1 ILE 44 2HG1 ILE 44 -9.216 -7.052 -3.377 322 1HG2 ILE 44 1HG2 ILE 44 -8.928 -4.243 -0.905 323 2HG2 ILE 44 2HG2 ILE 44 -10.436 -3.980 -1.806 324 3HG2 ILE 44 3HG2 ILE 44 -8.997 -2.971 -2.108 325 1HD1 ILE 44 1HD1 ILE 44 -8.969 -7.971 -1.183 326 2HD1 ILE 44 2HD1 ILE 44 -7.668 -6.767 -1.355 327 3HD1 ILE 44 3HD1 ILE 44 -9.125 -6.393 -0.407 328 H ALA 45 H ALA 45 -7.486 -3.183 -4.941 329 HA ALA 45 HA ALA 45 -8.514 -0.578 -4.528 330 1HB ALA 45 1HB ALA 45 -6.647 0.126 -5.950 331 2HB ALA 45 2HB ALA 45 -6.169 -1.115 -4.751 332 3HB ALA 45 3HB ALA 45 -6.367 -1.559 -6.455 333 H GLY 46 H GLY 46 -8.748 -2.740 -7.347 334 1HA GLY 46 2HA GLY 46 -9.889 -0.978 -9.248 335 2HA GLY 46 1HA GLY 46 -10.161 -2.727 -9.147 336 H GLU 47 HN GLU 47 -11.521 -3.231 -6.923 337 HA GLU 47 HA GLU 47 -14.168 -2.404 -7.367 338 1HB GLU 47 1HB GLU 47 -12.779 -3.387 -4.827 339 2HB GLU 47 2HB GLU 47 -14.514 -3.181 -4.996 340 1HG GLU 47 1HG GLU 47 -14.626 -4.850 -6.765 341 2HG GLU 47 2HG GLU 47 -12.868 -5.010 -6.799 342 H TYR 48 H TYR 48 -11.711 -1.061 -5.200 343 HA TYR 48 HA TYR 48 -13.514 1.168 -4.358 344 1HB TYR 48 1HB TYR 48 -10.705 0.451 -3.480 345 2HB TYR 48 2HB TYR 48 -11.836 1.520 -2.647 346 HD1 TYR 48 HD1 TYR 48 -10.284 -0.915 -1.506 347 HD2 TYR 48 HD2 TYR 48 -14.278 -0.583 -3.121 348 HE1 TYR 48 HE1 TYR 48 -11.116 -2.548 0.158 349 HE2 TYR 48 HE2 TYR 48 -15.059 -2.272 -1.527 350 HH TYR 48 HH TYR 48 -14.548 -3.279 0.521 351 H LYS 49 HN LYS 49 -12.219 1.051 -7.158 352 HA LYS 49 HA LYS 49 -10.164 2.932 -7.273 353 1HB LYS 49 2HB LYS 49 -10.749 3.182 -9.658 354 2HB LYS 49 1HB LYS 49 -10.712 1.526 -9.112 355 1HG LYS 49 2HG LYS 49 -12.545 1.605 -10.520 356 2HG LYS 49 1HG LYS 49 -13.301 1.655 -8.930 357 1HD LYS 49 2HD LYS 49 -13.743 4.035 -9.137 358 2HD LYS 49 1HD LYS 49 -12.722 4.153 -10.591 359 1HE LYS 49 2HE LYS 49 -14.314 2.674 -11.800 360 2HE LYS 49 1HE LYS 49 -15.311 2.552 -10.336 361 1HZ LYS 49 1HZ LYS 49 -15.652 4.914 -10.454 362 2HZ LYS 49 2HZ LYS 49 -14.723 5.025 -11.811 363 3HZ LYS 49 3HZ LYS 49 -16.141 4.188 -11.849 364 H ASP 50 HN ASP 50 -10.285 4.999 -8.432 365 HA ASP 50 HA ASP 50 -10.826 7.196 -8.628 366 1HB ASP 50 2HB ASP 50 -13.137 6.396 -9.196 367 2HB ASP 50 1HB ASP 50 -13.610 6.580 -7.523 368 H LYS 51 HN LYS 51 -12.297 5.872 -5.689 369 HA LYS 51 HA LYS 51 -11.604 8.285 -4.142 370 1HB LYS 51 1HB LYS 51 -12.395 5.584 -2.973 371 2HB LYS 51 2HB LYS 51 -12.289 7.104 -2.164 372 1HG LYS 51 2HG LYS 51 -14.576 6.816 -2.459 373 2HG LYS 51 1HG LYS 51 -14.121 8.011 -3.674 374 1HD LYS 51 1HD LYS 51 -15.765 6.401 -4.520 375 2HD LYS 51 2HD LYS 51 -14.276 6.308 -5.436 376 1HE LYS 51 1HE LYS 51 -13.636 4.249 -4.081 377 2HE LYS 51 2HE LYS 51 -15.203 4.370 -3.257 378 1HZ LYS 51 1HZ LYS 51 -14.686 3.962 -6.114 379 2HZ LYS 51 2HZ LYS 51 -15.246 2.830 -5.056 380 3HZ LYS 51 3HZ LYS 51 -16.200 4.115 -5.459 381 H LEU 52 H LEU 52 -10.557 4.882 -4.107 382 HA LEU 52 HA LEU 52 -8.259 5.590 -2.367 383 1HB LEU 52 1HB LEU 52 -9.934 3.875 -1.670 384 2HB LEU 52 2HB LEU 52 -9.502 2.914 -3.094 385 HG LEU 52 HG LEU 52 -7.156 2.747 -2.198 386 1HD1 LEU 52 1HD1 LEU 52 -8.462 4.197 0.138 387 2HD1 LEU 52 2HD1 LEU 52 -6.987 4.654 -0.749 388 3HD1 LEU 52 3HD1 LEU 52 -6.976 3.244 0.317 389 1HD2 LEU 52 1HD2 LEU 52 -8.800 0.961 -1.876 390 2HD2 LEU 52 2HD2 LEU 52 -7.789 1.113 -0.432 391 3HD2 LEU 52 3HD2 LEU 52 -9.438 1.768 -0.424 392 H LYS 53 HN LYS 53 -6.379 5.975 -3.401 393 HA LYS 53 HA LYS 53 -5.758 4.739 -6.020 394 1HB LYS 53 2HB LYS 53 -4.840 7.031 -4.528 395 2HB LYS 53 1HB LYS 53 -3.479 5.928 -4.680 396 1HG LYS 53 1HG LYS 53 -5.160 6.933 -7.011 397 2HG LYS 53 2HG LYS 53 -3.605 7.591 -6.484 398 1HD LYS 53 2HD LYS 53 -2.555 5.306 -6.886 399 2HD LYS 53 1HD LYS 53 -4.103 4.771 -7.566 400 1HE LYS 53 1HE LYS 53 -2.672 5.362 -9.377 401 2HE LYS 53 2HE LYS 53 -3.969 6.564 -9.286 402 1HZ LYS 53 1HZ LYS 53 -1.814 7.546 -9.631 403 2HZ LYS 53 2HZ LYS 53 -2.430 8.031 -8.184 404 3HZ LYS 53 3HZ LYS 53 -1.240 6.892 -8.232 405 H CYS 54 H CYS 54 -3.653 3.350 -6.079 406 HA CYS 54 HA CYS 54 -3.151 1.968 -3.534 407 1HB CYS 54 2HB CYS 54 -5.053 0.785 -4.456 408 2HB CYS 54 1HB CYS 54 -4.225 0.609 -6.022 409 HG CYS 54 HG CYS 54 -4.122 -1.682 -4.841 410 H VAL 55 H VAL 55 -1.129 0.893 -3.536 411 HA VAL 55 HA VAL 55 0.478 1.101 -5.969 412 HB VAL 55 HB VAL 55 1.895 2.600 -3.886 413 1HG1 VAL 55 1HG1 VAL 55 -0.363 3.455 -3.237 414 2HG1 VAL 55 2HG1 VAL 55 0.742 4.680 -3.864 415 3HG1 VAL 55 3HG1 VAL 55 -0.558 4.091 -4.891 416 1HG2 VAL 55 1HG2 VAL 55 1.018 3.320 -6.713 417 2HG2 VAL 55 2HG2 VAL 55 2.539 2.518 -6.260 418 3HG2 VAL 55 3HG2 VAL 55 2.215 4.176 -5.724 419 H LYS 56 HN LYS 56 2.696 0.449 -5.674 420 HA LYS 56 HA LYS 56 3.150 -1.346 -3.342 421 1HB LYS 56 2HB LYS 56 3.600 -1.799 -6.298 422 2HB LYS 56 1HB LYS 56 4.097 -2.899 -4.999 423 1HG LYS 56 2HG LYS 56 1.712 -3.003 -4.220 424 2HG LYS 56 1HG LYS 56 1.233 -2.123 -5.683 425 1HD LYS 56 1HD LYS 56 2.831 -4.709 -5.698 426 2HD LYS 56 2HD LYS 56 1.057 -4.634 -5.769 427 1HE LYS 56 1HE LYS 56 1.200 -3.218 -7.837 428 2HE LYS 56 2HE LYS 56 2.963 -3.359 -7.803 429 1HZ LYS 56 1HZ LYS 56 1.995 -4.921 -9.286 430 2HZ LYS 56 2HZ LYS 56 1.077 -5.584 -8.091 431 3HZ LYS 56 3HZ LYS 56 2.721 -5.723 -8.042 432 H LEU 57 H LEU 57 4.822 -0.542 -2.251 433 HA LEU 57 HA LEU 57 6.902 1.106 -3.624 434 1HB LEU 57 1HB LEU 57 5.960 2.047 -1.557 435 2HB LEU 57 2HB LEU 57 6.488 0.615 -0.669 436 HG LEU 57 HG LEU 57 8.852 1.474 -1.932 437 1HD1 LEU 57 1HD2 LEU 57 8.615 0.664 0.376 438 2HD1 LEU 57 2HD2 LEU 57 7.820 2.193 0.830 439 3HD1 LEU 57 3HD2 LEU 57 9.519 2.184 0.308 440 1HD2 LEU 57 1HD1 LEU 57 9.029 3.865 -1.468 441 2HD2 LEU 57 2HD1 LEU 57 7.329 3.917 -0.972 442 3HD2 LEU 57 3HD1 LEU 57 7.756 3.567 -2.663 443 H ASN 58 H ASN 58 8.668 0.097 -4.394 444 HA ASN 58 HA ASN 58 9.281 -2.630 -3.464 445 1HB ASN 58 2HB ASN 58 9.691 -1.979 -5.786 446 2HB ASN 58 1HB ASN 58 10.925 -0.837 -5.258 447 1HD2 ASN 58 2HD2 ASN 58 10.526 -3.917 -6.433 448 2HD2 ASN 58 1HD2 ASN 58 11.985 -4.654 -5.789 449 H THR 59 H THR 59 9.912 -2.820 -1.513 450 HA THR 59 HA THR 59 11.025 -0.920 0.255 451 HB THR 59 HB THR 59 11.097 -3.980 0.225 452 HG1 THR 59 HG1 THR 59 9.046 -3.300 0.232 453 1HG2 THR 59 1HG2 THR 59 12.733 -3.272 1.823 454 2HG2 THR 59 2HG2 THR 59 11.624 -2.053 2.491 455 3HG2 THR 59 3HG2 THR 59 11.279 -3.793 2.685 456 H ASP 60 HN ASP 60 12.539 -3.364 -1.760 457 HA ASP 60 HA ASP 60 15.137 -3.377 -0.504 458 1HB ASP 60 2HB ASP 60 13.797 -5.214 -1.669 459 2HB ASP 60 1HB ASP 60 14.174 -4.428 -3.187 460 H GLU 61 HN GLU 61 13.618 -1.924 -3.303 461 HA GLU 61 HA GLU 61 15.981 -0.544 -4.322 462 1HB GLU 61 2HB GLU 61 14.114 -1.512 -5.708 463 2HB GLU 61 1HB GLU 61 13.025 -0.313 -4.979 464 1HG GLU 61 2HG GLU 61 14.360 1.515 -6.000 465 2HG GLU 61 1HG GLU 61 15.458 0.309 -6.682 466 H SER 62 H SER 62 13.290 0.143 -2.136 467 HA SER 62 HA SER 62 14.069 3.014 -1.914 468 1HB SER 62 2HB SER 62 11.841 2.322 -2.992 469 2HB SER 62 1HB SER 62 11.321 1.822 -1.382 470 HG SER 62 HG SER 62 11.679 3.907 -0.662 471 HA PRO 63 HA PRO 63 14.589 0.610 2.177 472 1HB PRO 63 1HB PRO 63 17.219 1.342 2.632 473 2HB PRO 63 2HB PRO 63 16.700 -0.166 1.818 474 1HG PRO 63 1HG PRO 63 17.559 2.443 0.547 475 2HG PRO 63 2HG PRO 63 18.073 0.784 0.112 476 1HD PRO 63 1HD PRO 63 16.150 2.039 -1.278 477 2HD PRO 63 2HD PRO 63 15.931 0.304 -0.867 478 H ASN 64 H ASN 64 15.325 3.752 0.872 479 HA ASN 64 HA ASN 64 15.701 5.378 3.145 480 1HB ASN 64 1HB ASN 64 14.199 5.922 0.543 481 2HB ASN 64 2HB ASN 64 14.526 7.153 1.772 482 1HD2 ASN 64 2HD2 ASN 64 15.439 8.084 -0.270 483 2HD2 ASN 64 1HD2 ASN 64 17.162 7.790 -0.560 484 H VAL 65 H VAL 65 12.602 5.100 1.445 485 HA VAL 65 HA VAL 65 10.939 6.087 3.470 486 HB VAL 65 HB VAL 65 10.453 4.155 1.163 487 1HG1 VAL 65 1HG2 VAL 65 8.617 3.886 2.728 488 2HG1 VAL 65 2HG2 VAL 65 8.427 5.648 2.869 489 3HG1 VAL 65 3HG2 VAL 65 8.072 4.816 1.333 490 1HG2 VAL 65 1HG1 VAL 65 9.592 6.192 0.039 491 2HG2 VAL 65 2HG1 VAL 65 10.036 7.162 1.461 492 3HG2 VAL 65 3HG1 VAL 65 11.294 6.382 0.485 493 H ALA 66 H ALA 66 11.760 2.744 2.637 494 HA ALA 66 HA ALA 66 10.244 1.357 4.479 495 1HB ALA 66 1HB ALA 66 11.901 -0.439 4.319 496 2HB ALA 66 2HB ALA 66 13.114 0.694 3.739 497 3HB ALA 66 3HB ALA 66 11.699 0.331 2.723 498 H SER 67 H SER 67 13.552 2.645 5.046 499 HA SER 67 HA SER 67 13.655 1.788 7.799 500 1HB SER 67 1HB SER 67 15.720 3.131 7.878 501 2HB SER 67 2HB SER 67 15.692 2.034 6.487 502 HG SER 67 HG SER 67 15.074 3.829 5.187 503 H GLU 68 HN GLU 68 13.020 4.906 6.210 504 HA GLU 68 HA GLU 68 12.755 6.561 8.463 505 1HB GLU 68 1HB GLU 68 11.240 6.524 5.827 506 2HB GLU 68 2HB GLU 68 11.064 7.825 7.008 507 1HG GLU 68 2HG GLU 68 13.294 8.556 6.767 508 2HG GLU 68 1HG GLU 68 13.826 7.053 6.016 509 H TYR 69 H TYR 69 10.218 4.522 6.919 510 HA TYR 69 HA TYR 69 8.303 5.129 9.070 511 1HB TYR 69 2HB TYR 69 8.309 3.437 6.563 512 2HB TYR 69 1HB TYR 69 7.124 3.150 7.822 513 HD1 TYR 69 HD1 TYR 69 5.351 4.737 8.316 514 HD2 TYR 69 HD2 TYR 69 8.422 5.757 5.472 515 HE1 TYR 69 HE1 TYR 69 4.255 6.924 7.906 516 HE2 TYR 69 HE2 TYR 69 7.336 7.938 5.076 517 HH TYR 69 HH TYR 69 5.645 9.390 5.734 518 H GLY 70 H GLY 70 10.594 2.525 8.315 519 1HA GLY 70 2HA GLY 70 11.629 1.141 9.850 520 2HA GLY 70 1HA GLY 70 10.543 1.701 11.129 521 H ILE 71 H ILE 71 9.971 0.175 7.911 522 HA ILE 71 HA ILE 71 7.949 -1.599 9.048 523 HB ILE 71 HB ILE 71 8.085 -2.607 6.709 524 1HG1 ILE 71 2HG1 ILE 71 9.304 -0.005 5.873 525 2HG1 ILE 71 1HG1 ILE 71 10.421 -1.312 6.307 526 1HG2 ILE 71 1HG2 ILE 71 6.332 -1.069 7.519 527 2HG2 ILE 71 2HG2 ILE 71 6.699 -0.741 5.821 528 3HG2 ILE 71 3HG2 ILE 71 7.330 0.330 7.090 529 1HD1 ILE 71 1HD1 ILE 71 9.571 -2.761 4.650 530 2HD1 ILE 71 2HD1 ILE 71 8.152 -1.740 4.357 531 3HD1 ILE 71 3HD1 ILE 71 9.768 -1.197 3.848 532 H ARG 72 HN ARG 72 8.791 -2.911 10.537 533 HA ARG 72 HA ARG 72 11.226 -4.449 10.137 534 1HB ARG 72 1HB ARG 72 10.866 -5.249 12.320 535 2HB ARG 72 2HB ARG 72 10.540 -3.525 12.301 536 1HG ARG 72 2HG ARG 72 8.588 -5.808 12.727 537 2HG ARG 72 1HG ARG 72 9.054 -4.517 13.810 538 1HD ARG 72 2HD ARG 72 6.835 -4.077 13.100 539 2HD ARG 72 1HD ARG 72 7.873 -2.867 12.328 540 HE ARG 72 HE ARG 72 7.456 -5.297 10.754 541 1HH1 ARG 72 2HH1 ARG 72 5.778 -2.318 11.612 542 2HH1 ARG 72 1HH1 ARG 72 5.054 -2.108 10.037 543 1HH2 ARG 72 1HH2 ARG 72 6.761 -4.864 8.590 544 2HH2 ARG 72 2HH2 ARG 72 5.464 -3.754 8.347 545 H SER 73 H SER 73 10.298 -5.114 8.056 546 HA SER 73 HA SER 73 10.218 -7.143 6.880 547 1HB SER 73 1HB SER 73 9.799 -8.565 8.930 548 2HB SER 73 2HB SER 73 8.065 -8.175 8.776 549 HG SER 73 HG SER 73 8.640 -10.114 7.680 550 H ILE 74 H ILE 74 8.197 -8.179 5.771 551 HA ILE 74 HA ILE 74 6.113 -6.206 5.162 552 HB ILE 74 HB ILE 74 6.812 -6.392 2.642 553 1HG1 ILE 74 1HG1 ILE 74 9.565 -6.909 3.765 554 2HG1 ILE 74 2HG1 ILE 74 8.544 -8.171 3.049 555 1HG2 ILE 74 1HG2 ILE 74 8.609 -4.792 4.490 556 2HG2 ILE 74 2HG2 ILE 74 8.129 -4.372 2.836 557 3HG2 ILE 74 3HG2 ILE 74 6.930 -4.345 4.126 558 1HD1 ILE 74 1HD1 ILE 74 8.362 -6.820 0.963 559 2HD1 ILE 74 2HD1 ILE 74 9.506 -5.640 1.640 560 3HD1 ILE 74 3HD1 ILE 74 10.013 -7.295 1.314 561 HA PRO 75 HA PRO 75 4.686 -6.366 2.715 562 1HB PRO 75 1HB PRO 75 2.000 -6.798 2.681 563 2HB PRO 75 2HB PRO 75 3.121 -7.586 1.550 564 1HG PRO 75 1HG PRO 75 2.044 -8.659 4.153 565 2HG PRO 75 2HG PRO 75 2.047 -9.493 2.566 566 1HD PRO 75 1HD PRO 75 3.988 -10.030 4.379 567 2HD PRO 75 2HD PRO 75 4.407 -9.797 2.659 568 H THR 76 H THR 76 3.509 -4.542 3.225 569 HA THR 76 HA THR 76 2.153 -4.262 5.757 570 HB THR 76 HB THR 76 4.799 -2.836 5.345 571 HG1 THR 76 HG1 THR 76 4.269 -5.026 6.526 572 1HG2 THR 76 1HG2 THR 76 2.506 -2.312 7.294 573 2HG2 THR 76 2HG2 THR 76 4.145 -1.688 7.520 574 3HG2 THR 76 3HG2 THR 76 3.190 -1.167 6.123 575 H ILE 77 H ILE 77 0.410 -3.579 4.804 576 HA ILE 77 HA ILE 77 0.350 -1.673 2.554 577 HB ILE 77 HB ILE 77 -1.762 -3.065 4.230 578 1HG1 ILE 77 2HG1 ILE 77 -1.103 -3.368 1.268 579 2HG1 ILE 77 1HG1 ILE 77 -0.410 -4.412 2.515 580 1HG2 ILE 77 1HG2 ILE 77 -2.028 -1.110 1.926 581 2HG2 ILE 77 2HG2 ILE 77 -2.630 -0.876 3.580 582 3HG2 ILE 77 3HG2 ILE 77 -3.379 -2.088 2.557 583 1HD1 ILE 77 1HD1 ILE 77 -3.372 -4.189 1.851 584 2HD1 ILE 77 2HD1 ILE 77 -2.282 -5.541 1.522 585 3HD1 ILE 77 3HD1 ILE 77 -2.687 -5.130 3.197 586 H MET 78 H MET 78 0.195 0.537 2.934 587 HA MET 78 HA MET 78 -0.633 1.446 5.660 588 1HB MET 78 1HB MET 78 1.504 2.640 3.882 589 2HB MET 78 2HB MET 78 0.823 3.404 5.333 590 1HG MET 78 1HG MET 78 1.559 1.312 6.612 591 2HG MET 78 2HG MET 78 2.475 0.891 5.171 592 1HE MET 78 1HE MET 78 5.178 1.933 7.773 593 2HE MET 78 2HE MET 78 3.723 0.925 7.915 594 3HE MET 78 3HE MET 78 4.765 0.792 6.472 595 H VAL 79 H VAL 79 -2.111 2.992 5.652 596 HA VAL 79 HA VAL 79 -3.312 3.751 3.014 597 HB VAL 79 HB VAL 79 -4.447 3.899 5.836 598 1HG1 VAL 79 1HG1 VAL 79 -4.366 1.612 4.934 599 2HG1 VAL 79 2HG1 VAL 79 -5.116 2.164 3.420 600 3HG1 VAL 79 3HG1 VAL 79 -6.033 2.215 4.943 601 1HG2 VAL 79 1HG2 VAL 79 -5.259 5.803 4.505 602 2HG2 VAL 79 2HG2 VAL 79 -5.574 4.741 3.123 603 3HG2 VAL 79 3HG2 VAL 79 -6.535 4.592 4.614 604 H PHE 80 H PHE 80 -2.172 5.462 2.307 605 HA PHE 80 HA PHE 80 -1.440 7.683 4.159 606 1HB PHE 80 1HB PHE 80 -0.667 6.841 1.392 607 2HB PHE 80 2HB PHE 80 -0.486 8.529 1.871 608 HD1 PHE 80 HD1 PHE 80 1.305 9.249 3.263 609 HD2 PHE 80 HD2 PHE 80 0.452 5.037 2.944 610 HE1 PHE 80 HE1 PHE 80 3.470 8.732 4.339 611 HE2 PHE 80 HE2 PHE 80 2.688 4.528 3.931 612 HZ PHE 80 HZ PHE 80 4.164 6.352 4.661 613 H LYS 81 HN LYS 81 -2.230 9.721 3.899 614 HA LYS 81 HA LYS 81 -4.513 10.148 2.042 615 1HB LYS 81 2HB LYS 81 -6.083 10.600 3.731 616 2HB LYS 81 1HB LYS 81 -5.342 9.073 4.183 617 1HG LYS 81 1HG LYS 81 -5.070 11.789 5.490 618 2HG LYS 81 2HG LYS 81 -5.628 10.269 6.176 619 1HD LYS 81 1HD LYS 81 -3.257 9.386 6.017 620 2HD LYS 81 2HD LYS 81 -2.768 10.979 5.400 621 1HE LYS 81 1HE LYS 81 -2.220 10.943 7.707 622 2HE LYS 81 2HE LYS 81 -3.558 12.076 7.461 623 1HZ LYS 81 1HZ LYS 81 -3.729 9.337 8.499 624 2HZ LYS 81 2HZ LYS 81 -3.907 10.719 9.368 625 3HZ LYS 81 3HZ LYS 81 -5.035 10.312 8.238 626 H GLY 82 H GLY 82 -1.849 11.176 2.074 627 1HA GLY 82 2HA GLY 82 -1.329 13.420 1.325 628 2HA GLY 82 1HA GLY 82 -2.400 14.078 2.569 629 H GLY 83 H GLY 83 0.778 13.201 1.855 630 1HA GLY 83 2HA GLY 83 2.729 13.409 2.996 631 2HA GLY 83 1HA GLY 83 1.839 14.178 4.306 632 H LYS 84 HN LYS 84 0.477 12.522 5.601 633 HA LYS 84 HA LYS 84 2.409 10.396 6.483 634 1HB LYS 84 2HB LYS 84 0.224 11.880 7.996 635 2HB LYS 84 1HB LYS 84 1.251 10.597 8.658 636 1HG LYS 84 1HG LYS 84 3.277 11.964 8.203 637 2HG LYS 84 2HG LYS 84 2.262 13.247 7.535 638 1HD LYS 84 1HD LYS 84 2.867 13.841 9.776 639 2HD LYS 84 2HD LYS 84 1.127 13.522 9.722 640 1HE LYS 84 2HE LYS 84 1.463 11.318 10.772 641 2HE LYS 84 1HE LYS 84 3.226 11.508 10.671 642 1HZ LYS 84 1HZ LYS 84 1.402 13.186 12.243 643 2HZ LYS 84 2HZ LYS 84 2.387 12.004 12.834 644 3HZ LYS 84 3HZ LYS 84 3.040 13.359 12.162 645 H LYS 85 HN LYS 85 1.407 8.607 7.647 646 HA LYS 85 HA LYS 85 -0.622 7.264 6.013 647 1HB LYS 85 2HB LYS 85 -0.077 5.312 7.237 648 2HB LYS 85 1HB LYS 85 1.418 6.063 6.667 649 1HG LYS 85 2HG LYS 85 1.819 7.019 8.916 650 2HG LYS 85 1HG LYS 85 0.320 6.320 9.520 651 1HD LYS 85 1HD LYS 85 2.740 4.791 8.470 652 2HD LYS 85 2HD LYS 85 2.291 4.995 10.165 653 1HE LYS 85 1HE LYS 85 0.767 3.422 8.041 654 2HE LYS 85 2HE LYS 85 1.632 2.789 9.443 655 1HZ LYS 85 1HZ LYS 85 0.052 3.936 10.848 656 2HZ LYS 85 2HZ LYS 85 -0.698 2.863 9.847 657 3HZ LYS 85 3HZ LYS 85 -0.773 4.473 9.525 658 H CYS 86 H CYS 86 -2.393 6.159 7.098 659 HA CYS 86 HA CYS 86 -3.493 7.577 9.505 660 1HB CYS 86 2HB CYS 86 -4.716 7.875 7.264 661 2HB CYS 86 1HB CYS 86 -5.087 6.155 7.316 662 HG CYS 86 HG CYS 86 -5.895 6.441 9.993 663 H GLU 87 HN GLU 87 -3.667 4.518 7.676 664 HA GLU 87 HA GLU 87 -3.596 2.943 10.203 665 1HB GLU 87 1HB GLU 87 -5.453 2.352 7.867 666 2HB GLU 87 2HB GLU 87 -5.385 1.561 9.453 667 1HG GLU 87 1HG GLU 87 -6.368 4.385 8.891 668 2HG GLU 87 2HG GLU 87 -7.348 2.993 9.298 669 H THR 88 H THR 88 -3.351 0.451 9.460 670 HA THR 88 HA THR 88 -1.879 0.098 7.029 671 HB THR 88 HB THR 88 -0.119 1.148 8.375 672 HG1 THR 88 HG1 THR 88 0.469 -0.756 7.186 673 1HG2 THR 88 1HG2 THR 88 -1.036 0.755 10.660 674 2HG2 THR 88 2HG2 THR 88 0.640 0.206 10.532 675 3HG2 THR 88 3HG2 THR 88 -0.677 -0.978 10.501 676 H ILE 89 H ILE 89 -1.136 -2.211 6.794 677 HA ILE 89 HA ILE 89 -2.454 -4.153 8.600 678 HB ILE 89 HB ILE 89 -2.676 -4.514 5.586 679 1HG1 ILE 89 2HG1 ILE 89 -4.780 -3.230 7.357 680 2HG1 ILE 89 1HG1 ILE 89 -3.896 -2.425 6.049 681 1HG2 ILE 89 1HG2 ILE 89 -2.860 -6.448 7.184 682 2HG2 ILE 89 2HG2 ILE 89 -4.300 -6.198 6.205 683 3HG2 ILE 89 3HG2 ILE 89 -4.283 -5.664 7.900 684 1HD1 ILE 89 1HD1 ILE 89 -4.844 -4.012 4.401 685 2HD1 ILE 89 2HD1 ILE 89 -6.056 -3.003 5.212 686 3HD1 ILE 89 3HD1 ILE 89 -5.869 -4.698 5.683 687 H ILE 90 H ILE 90 -0.878 -5.672 9.087 688 HA ILE 90 HA ILE 90 1.581 -5.741 7.391 689 HB ILE 90 HB ILE 90 1.186 -6.378 10.339 690 1HG1 ILE 90 1HG1 ILE 90 2.541 -3.983 9.011 691 2HG1 ILE 90 2HG1 ILE 90 0.960 -3.933 9.795 692 1HG2 ILE 90 1HG2 ILE 90 3.026 -7.691 9.281 693 2HG2 ILE 90 2HG2 ILE 90 3.727 -6.190 8.643 694 3HG2 ILE 90 3HG2 ILE 90 3.670 -6.499 10.389 695 1HD1 ILE 90 1HD1 ILE 90 3.596 -4.462 11.195 696 2HD1 ILE 90 2HD1 ILE 90 1.992 -4.628 11.946 697 3HD1 ILE 90 3HD1 ILE 90 2.537 -3.055 11.334 698 H GLY 91 H GLY 91 2.286 -7.689 6.604 699 1HA GLY 91 2HA GLY 91 2.489 -9.983 6.413 700 2HA GLY 91 1HA GLY 91 1.296 -10.232 7.690 701 H ALA 92 H ALA 92 1.485 -11.706 5.190 702 HA ALA 92 HA ALA 92 -0.513 -10.742 3.335 703 1HB ALA 92 1HB ALA 92 -0.183 -12.959 2.307 704 2HB ALA 92 2HB ALA 92 1.350 -12.135 2.642 705 3HB ALA 92 3HB ALA 92 0.811 -13.466 3.690 706 H VAL 93 H VAL 93 -2.154 -10.345 5.123 707 HA VAL 93 HA VAL 93 -3.502 -12.700 6.172 708 HB VAL 93 HB VAL 93 -5.170 -11.156 7.026 709 1HG1 VAL 93 1HG2 VAL 93 -3.703 -8.966 5.482 710 2HG1 VAL 93 2HG2 VAL 93 -5.371 -9.526 5.231 711 3HG1 VAL 93 3HG2 VAL 93 -4.936 -8.706 6.730 712 1HG2 VAL 93 1HG1 VAL 93 -2.359 -10.053 7.435 713 2HG2 VAL 93 2HG1 VAL 93 -3.029 -11.488 8.239 714 3HG2 VAL 93 3HG1 VAL 93 -3.742 -9.893 8.528 715 HA PRO 94 HA PRO 94 -5.923 -13.767 2.637 716 1HB PRO 94 1HB PRO 94 -8.296 -13.909 4.508 717 2HB PRO 94 2HB PRO 94 -7.803 -15.088 3.262 718 1HG PRO 94 1HG PRO 94 -7.204 -15.554 5.867 719 2HG PRO 94 2HG PRO 94 -5.975 -15.849 4.601 720 1HD PRO 94 2HD PRO 94 -6.177 -13.501 6.487 721 2HD PRO 94 1HD PRO 94 -4.753 -14.414 5.916 722 H LYS 95 HN LYS 95 -7.555 -13.062 1.164 723 HA LYS 95 HA LYS 95 -7.868 -10.343 0.885 724 1HB LYS 95 1HB LYS 95 -9.546 -10.805 -0.768 725 2HB LYS 95 2HB LYS 95 -8.174 -11.920 -0.951 726 1HG LYS 95 1HG LYS 95 -9.564 -13.702 0.155 727 2HG LYS 95 2HG LYS 95 -10.947 -12.596 0.115 728 1HD LYS 95 1HD LYS 95 -9.371 -13.629 -2.280 729 2HD LYS 95 2HD LYS 95 -10.996 -14.116 -1.799 730 1HE LYS 95 1HE LYS 95 -10.158 -11.364 -2.854 731 2HE LYS 95 2HE LYS 95 -11.123 -12.584 -3.679 732 1HZ LYS 95 1HZ LYS 95 -12.484 -10.891 -2.757 733 2HZ LYS 95 2HZ LYS 95 -12.803 -12.318 -1.997 734 3HZ LYS 95 3HZ LYS 95 -11.907 -11.159 -1.239 735 H ALA 96 H ALA 96 -10.235 -12.591 2.261 736 HA ALA 96 HA ALA 96 -12.371 -10.852 2.758 737 1HB ALA 96 1HB ALA 96 -12.974 -12.386 4.607 738 2HB ALA 96 2HB ALA 96 -11.357 -13.117 4.542 739 3HB ALA 96 3HB ALA 96 -12.467 -13.284 3.164 740 H THR 97 H THR 97 -9.479 -11.449 4.859 741 HA THR 97 HA THR 97 -10.254 -9.606 6.888 742 HB THR 97 HB THR 97 -7.380 -9.851 6.696 743 HG1 THR 97 HG1 THR 97 -7.598 -11.611 5.405 744 1HG2 THR 97 1HG2 THR 97 -8.687 -9.688 8.787 745 2HG2 THR 97 2HG2 THR 97 -7.659 -11.135 8.768 746 3HG2 THR 97 3HG2 THR 97 -9.403 -11.287 8.464 747 H ILE 98 H ILE 98 -8.124 -9.324 3.976 748 HA ILE 98 HA ILE 98 -7.307 -6.650 4.422 749 HB ILE 98 HB ILE 98 -7.814 -8.064 1.756 750 1HG1 ILE 98 2HG1 ILE 98 -5.280 -7.652 3.412 751 2HG1 ILE 98 1HG1 ILE 98 -6.140 -9.176 3.153 752 1HG2 ILE 98 1HG2 ILE 98 -6.222 -5.524 2.365 753 2HG2 ILE 98 2HG2 ILE 98 -6.381 -6.301 0.777 754 3HG2 ILE 98 3HG2 ILE 98 -7.780 -5.556 1.519 755 1HD1 ILE 98 1HD1 ILE 98 -4.262 -9.208 1.715 756 2HD1 ILE 98 2HD1 ILE 98 -4.609 -7.605 1.063 757 3HD1 ILE 98 3HD1 ILE 98 -5.691 -8.972 0.690 758 H VAL 99 H VAL 99 -10.101 -7.797 2.467 759 HA VAL 99 HA VAL 99 -11.271 -5.356 1.804 760 HB VAL 99 HB VAL 99 -12.435 -8.109 2.401 761 1HG1 VAL 99 1HG2 VAL 99 -13.922 -5.710 1.266 762 2HG1 VAL 99 2HG2 VAL 99 -14.499 -7.384 1.226 763 3HG1 VAL 99 3HG2 VAL 99 -14.304 -6.564 2.775 764 1HG2 VAL 99 1HG1 VAL 99 -10.960 -7.858 0.394 765 2HG2 VAL 99 2HG1 VAL 99 -12.632 -8.229 -0.046 766 3HG2 VAL 99 3HG1 VAL 99 -12.021 -6.569 -0.201 767 H GLN 100 H GLN 100 -12.178 -7.396 4.658 768 HA GLN 100 HA GLN 100 -13.960 -5.541 5.812 769 1HB GLN 100 1HB GLN 100 -12.144 -7.663 7.019 770 2HB GLN 100 2HB GLN 100 -13.306 -6.745 7.990 771 1HG GLN 100 1HG GLN 100 -15.175 -7.516 6.731 772 2HG GLN 100 2HG GLN 100 -14.162 -8.275 5.498 773 1HE2 GLN 100 1HE2 GLN 100 -12.607 -9.947 6.310 774 2HE2 GLN 100 2HE2 GLN 100 -13.196 -11.070 7.549 775 H THR 101 H THR 101 -10.436 -5.856 6.322 776 HA THR 101 HA THR 101 -10.258 -3.808 8.306 777 HB THR 101 HB THR 101 -8.141 -4.845 6.376 778 HG1 THR 101 HG1 THR 101 -9.007 -6.500 7.583 779 1HG2 THR 101 1HG2 THR 101 -7.977 -3.362 9.039 780 2HG2 THR 101 2HG2 THR 101 -7.359 -2.835 7.451 781 3HG2 THR 101 3HG2 THR 101 -6.615 -4.215 8.289 782 H VAL 102 H VAL 102 -9.895 -3.658 4.694 783 HA VAL 102 HA VAL 102 -9.194 -0.871 4.697 784 HB VAL 102 HB VAL 102 -10.444 -2.612 2.532 785 1HG1 VAL 102 1HG1 VAL 102 -8.187 -2.598 1.582 786 2HG1 VAL 102 2HG1 VAL 102 -7.612 -1.516 2.870 787 3HG1 VAL 102 3HG1 VAL 102 -8.075 -3.179 3.249 788 1HG2 VAL 102 1HG2 VAL 102 -9.629 -0.749 0.996 789 2HG2 VAL 102 2HG2 VAL 102 -9.355 0.249 2.429 790 3HG2 VAL 102 3HG2 VAL 102 -10.998 -0.276 2.010 791 H GLU 103 HN GLU 103 -12.333 -2.581 4.411 792 HA GLU 103 HA GLU 103 -13.953 -0.287 4.109 793 1HB GLU 103 1HB GLU 103 -14.493 -2.949 5.490 794 2HB GLU 103 2HB GLU 103 -15.736 -1.756 5.137 795 1HG GLU 103 2HG GLU 103 -13.954 -2.925 2.956 796 2HG GLU 103 1HG GLU 103 -15.453 -3.701 3.480 797 H LYS 104 HN LYS 104 -13.055 -2.004 7.094 798 HA LYS 104 HA LYS 104 -14.183 -0.370 9.054 799 1HB LYS 104 2HB LYS 104 -13.051 -2.465 9.559 800 2HB LYS 104 1HB LYS 104 -11.540 -1.841 8.918 801 1HG LYS 104 2HG LYS 104 -11.650 -0.082 10.864 802 2HG LYS 104 1HG LYS 104 -12.843 -1.197 11.553 803 1HD LYS 104 2HD LYS 104 -11.145 -3.047 11.287 804 2HD LYS 104 1HD LYS 104 -10.005 -1.871 10.613 805 1HE LYS 104 1HE LYS 104 -10.068 -0.578 12.744 806 2HE LYS 104 2HE LYS 104 -11.173 -1.783 13.434 807 1HZ LYS 104 1HZ LYS 104 -9.464 -3.424 13.137 808 2HZ LYS 104 2HZ LYS 104 -8.442 -2.310 12.483 809 3HZ LYS 104 3HZ LYS 104 -8.907 -2.175 14.057 810 H TYR 105 H TYR 105 -10.969 0.025 7.474 811 HA TYR 105 HA TYR 105 -10.350 2.504 8.846 812 1HB TYR 105 2HB TYR 105 -9.285 1.215 6.312 813 2HB TYR 105 1HB TYR 105 -8.521 2.579 7.132 814 HD1 TYR 105 HD1 TYR 105 -9.388 0.841 9.908 815 HD2 TYR 105 HD2 TYR 105 -6.946 0.358 6.398 816 HE1 TYR 105 HE1 TYR 105 -7.805 -0.554 11.210 817 HE2 TYR 105 HE2 TYR 105 -5.316 -0.983 7.723 818 HH TYR 105 HH TYR 105 -4.792 -1.858 9.838 819 H LEU 106 H LEU 106 -12.077 1.797 5.812 820 HA LEU 106 HA LEU 106 -12.473 4.617 5.246 821 1HB LEU 106 1HB LEU 106 -10.671 2.739 3.685 822 2HB LEU 106 2HB LEU 106 -11.604 3.954 2.855 823 HG LEU 106 HG LEU 106 -9.408 4.455 4.881 824 1HD1 LEU 106 1HD2 LEU 106 -9.765 6.899 4.281 825 2HD1 LEU 106 2HD2 LEU 106 -11.023 6.244 5.322 826 3HD1 LEU 106 3HD2 LEU 106 -11.333 6.449 3.581 827 1HD2 LEU 106 1HD1 LEU 106 -8.383 5.502 2.904 828 2HD2 LEU 106 2HD1 LEU 106 -8.852 3.821 2.541 829 3HD2 LEU 106 3HD1 LEU 106 -9.849 5.173 1.952 830 H ASN 107 H ASN 107 -14.505 4.459 5.218 831 HA ASN 107 HA ASN 107 -15.984 3.247 3.069 832 1HB ASN 107 1HB ASN 107 -15.945 1.436 4.829 833 2HB ASN 107 2HB ASN 107 -16.711 2.559 5.962 834 1HD2 ASN 107 2HD2 ASN 107 -18.526 3.616 3.651 835 2HD2 ASN 107 1HD2 ASN 107 -19.681 2.296 3.439 Start of MODEL 4 1 1H MET 1 1H MET 1 -9.207 2.086 -7.196 2 2H MET 1 2H MET 1 -8.017 2.845 -6.426 3 3H MET 1 3H MET 1 -9.345 3.710 -6.915 4 HA MET 1 HA MET 1 -8.765 3.189 -9.237 5 1HB MET 1 1HB MET 1 -8.212 5.371 -8.315 6 2HB MET 1 2HB MET 1 -6.762 4.753 -7.549 7 1HG MET 1 2HG MET 1 -6.216 6.017 -9.534 8 2HG MET 1 1HG MET 1 -5.772 4.330 -9.800 9 1HE MET 1 1HE MET 1 -6.018 6.593 -12.079 10 2HE MET 1 2HE MET 1 -5.493 4.913 -12.354 11 3HE MET 1 3HE MET 1 -6.782 5.619 -13.355 12 H GLU 2 HN GLU 2 -7.398 2.099 -10.667 13 HA GLU 2 HA GLU 2 -6.311 -0.305 -9.826 14 1HB GLU 2 1HB GLU 2 -5.132 -0.277 -12.085 15 2HB GLU 2 2HB GLU 2 -6.882 -0.156 -12.099 16 1HG GLU 2 1HG GLU 2 -5.250 2.401 -12.162 17 2HG GLU 2 2HG GLU 2 -5.337 1.391 -13.607 18 H ALA 3 H ALA 3 -4.230 -1.160 -9.943 19 HA ALA 3 HA ALA 3 -2.520 0.008 -8.079 20 1HB ALA 3 1HB ALA 3 -2.858 -2.386 -8.441 21 2HB ALA 3 2HB ALA 3 -1.133 -1.961 -8.491 22 3HB ALA 3 3HB ALA 3 -2.013 -2.292 -10.000 23 H GLY 4 H GLY 4 -0.842 1.391 -8.210 24 1HA GLY 4 2HA GLY 4 0.628 1.765 -10.800 25 2HA GLY 4 1HA GLY 4 0.588 2.887 -9.427 26 H ALA 5 H ALA 5 3.066 2.526 -9.851 27 HA ALA 5 HA ALA 5 4.050 0.499 -7.925 28 1HB ALA 5 1HB ALA 5 5.962 0.033 -9.415 29 2HB ALA 5 2HB ALA 5 4.435 -0.471 -10.169 30 3HB ALA 5 3HB ALA 5 5.231 1.033 -10.690 31 H VAL 6 H VAL 6 5.769 1.382 -6.670 32 HA VAL 6 HA VAL 6 6.683 4.103 -7.351 33 HB VAL 6 HB VAL 6 6.269 4.714 -4.857 34 1HG1 VAL 6 1HG1 VAL 6 5.634 2.493 -4.036 35 2HG1 VAL 6 2HG1 VAL 6 4.194 2.504 -5.066 36 3HG1 VAL 6 3HG1 VAL 6 4.365 3.689 -3.759 37 1HG2 VAL 6 1HG2 VAL 6 5.153 5.870 -6.599 38 2HG2 VAL 6 2HG2 VAL 6 3.976 4.560 -6.801 39 3HG2 VAL 6 3HG2 VAL 6 4.003 5.510 -5.299 40 H ASN 7 H ASN 7 8.218 4.853 -5.693 41 HA ASN 7 HA ASN 7 9.789 2.921 -4.271 42 1HB ASN 7 1HB ASN 7 11.076 2.778 -6.342 43 2HB ASN 7 2HB ASN 7 10.655 4.450 -6.737 44 1HD2 ASN 7 1HD2 ASN 7 12.639 2.775 -4.227 45 2HD2 ASN 7 2HD2 ASN 7 13.940 3.939 -4.339 46 H ASP 8 HN ASP 8 11.501 4.348 -3.167 47 HA ASP 8 HA ASP 8 10.474 6.284 -1.501 48 1HB ASP 8 2HB ASP 8 12.807 5.396 -1.375 49 2HB ASP 8 1HB ASP 8 13.269 6.383 -2.749 50 H ASP 9 HN ASP 9 12.188 7.106 -4.494 51 HA ASP 9 HA ASP 9 11.786 9.882 -4.413 52 1HB ASP 9 1HB ASP 9 12.169 7.971 -6.761 53 2HB ASP 9 2HB ASP 9 12.208 9.730 -6.893 54 H THR 10 H THR 10 9.738 7.446 -6.171 55 HA THR 10 HA THR 10 7.981 9.496 -7.228 56 HB THR 10 HB THR 10 6.723 7.388 -7.961 57 HG1 THR 10 HG1 THR 10 8.179 5.517 -7.755 58 1HG2 THR 10 1HG2 THR 10 8.443 6.759 -9.610 59 2HG2 THR 10 2HG2 THR 10 8.427 8.518 -9.395 60 3HG2 THR 10 3HG2 THR 10 9.704 7.541 -8.640 61 H PHE 11 H PHE 11 7.911 7.273 -4.527 62 HA PHE 11 HA PHE 11 5.385 7.088 -3.578 63 1HB PHE 11 1HB PHE 11 7.392 6.206 -2.491 64 2HB PHE 11 2HB PHE 11 7.920 7.804 -2.064 65 HD1 PHE 11 HD1 PHE 11 5.349 5.216 -1.325 66 HD2 PHE 11 HD2 PHE 11 7.271 8.860 -0.053 67 HE1 PHE 11 HE1 PHE 11 4.431 4.911 0.961 68 HE2 PHE 11 HE2 PHE 11 6.431 8.499 2.243 69 HZ PHE 11 HZ PHE 11 4.990 6.544 2.753 70 H LYS 12 HN LYS 12 7.539 9.787 -3.065 71 HA LYS 12 HA LYS 12 6.079 11.606 -1.558 72 1HB LYS 12 1HB LYS 12 7.722 12.157 -4.085 73 2HB LYS 12 2HB LYS 12 7.221 13.351 -2.912 74 1HG LYS 12 1HG LYS 12 9.116 10.957 -2.569 75 2HG LYS 12 2HG LYS 12 9.583 12.645 -2.634 76 1HD LYS 12 2HD LYS 12 8.513 13.100 -0.480 77 2HD LYS 12 1HD LYS 12 7.914 11.435 -0.369 78 1HE LYS 12 1HE LYS 12 10.873 12.133 -0.555 79 2HE LYS 12 2HE LYS 12 10.003 11.854 0.962 80 1HZ LYS 12 1HZ LYS 12 9.487 9.659 0.235 81 2HZ LYS 12 2HZ LYS 12 10.246 9.878 -1.206 82 3HZ LYS 12 3HZ LYS 12 11.113 9.879 0.186 83 H ASN 13 H ASN 13 6.057 11.757 -5.109 84 HA ASN 13 HA ASN 13 3.813 13.573 -5.295 85 1HB ASN 13 2HB ASN 13 5.539 11.933 -7.152 86 2HB ASN 13 1HB ASN 13 3.961 12.406 -7.740 87 1HD2 ASN 13 2HD2 ASN 13 5.512 14.692 -5.449 88 2HD2 ASN 13 1HD2 ASN 13 6.042 15.787 -6.710 89 H VAL 14 H VAL 14 4.237 10.133 -5.694 90 HA VAL 14 HA VAL 14 1.553 9.821 -6.829 91 HB VAL 14 HB VAL 14 3.616 7.779 -5.908 92 1HG1 VAL 14 1HG1 VAL 14 4.384 9.221 -7.810 93 2HG1 VAL 14 2HG1 VAL 14 2.895 8.832 -8.687 94 3HG1 VAL 14 3HG1 VAL 14 4.083 7.563 -8.336 95 1HG2 VAL 14 1HG2 VAL 14 2.323 6.241 -7.445 96 2HG2 VAL 14 2HG2 VAL 14 1.441 6.690 -5.974 97 3HG2 VAL 14 3HG2 VAL 14 1.050 7.476 -7.524 98 H VAL 15 H VAL 15 2.924 9.310 -3.606 99 HA VAL 15 HA VAL 15 0.323 8.234 -2.640 100 HB VAL 15 HB VAL 15 3.043 8.190 -1.280 101 1HG1 VAL 15 1HG1 VAL 15 0.543 6.600 -0.675 102 2HG1 VAL 15 2HG1 VAL 15 1.040 8.053 0.210 103 3HG1 VAL 15 3HG1 VAL 15 2.079 6.641 0.230 104 1HG2 VAL 15 1HG2 VAL 15 3.134 6.883 -3.380 105 2HG2 VAL 15 2HG2 VAL 15 1.676 6.016 -2.888 106 3HG2 VAL 15 3HG2 VAL 15 3.178 5.849 -1.961 107 H LEU 16 H LEU 16 2.950 10.388 -1.412 108 HA LEU 16 HA LEU 16 1.260 11.350 0.707 109 1HB LEU 16 1HB LEU 16 3.718 12.736 -0.402 110 2HB LEU 16 2HB LEU 16 2.991 12.917 1.188 111 HG LEU 16 HG LEU 16 4.424 10.455 0.079 112 1HD1 LEU 16 1HD1 LEU 16 5.076 12.335 2.383 113 2HD1 LEU 16 2HD1 LEU 16 5.829 12.387 0.776 114 3HD1 LEU 16 3HD1 LEU 16 6.062 10.968 1.818 115 1HD2 LEU 16 1HD2 LEU 16 3.098 10.829 2.799 116 2HD2 LEU 16 2HD2 LEU 16 2.589 9.674 1.546 117 3HD2 LEU 16 3HD2 LEU 16 4.145 9.481 2.351 118 H GLU 17 HN GLU 17 2.417 13.099 -2.275 119 HA GLU 17 HA GLU 17 0.400 15.175 -1.834 120 1HB GLU 17 2HB GLU 17 2.278 14.678 -4.179 121 2HB GLU 17 1HB GLU 17 1.303 16.100 -3.883 122 1HG GLU 17 2HG GLU 17 3.154 16.965 -2.973 123 2HG GLU 17 1HG GLU 17 2.633 16.098 -1.529 124 H SER 18 H SER 18 -0.939 12.711 -2.018 125 HA SER 18 HA SER 18 -2.098 12.581 -4.762 126 1HB SER 18 2HB SER 18 -1.544 10.458 -3.641 127 2HB SER 18 1HB SER 18 -2.643 10.869 -2.304 128 HG SER 18 HG SER 18 -4.184 10.068 -3.538 129 H SER 19 H SER 19 -4.533 12.371 -4.732 130 HA SER 19 HA SER 19 -5.797 14.581 -3.170 131 1HB SER 19 1HB SER 19 -7.561 14.280 -4.986 132 2HB SER 19 2HB SER 19 -5.980 14.870 -5.541 133 HG SER 19 HG SER 19 -6.671 13.171 -6.881 134 H VAL 20 H VAL 20 -6.868 11.567 -4.667 135 HA VAL 20 HA VAL 20 -8.636 10.906 -2.427 136 HB VAL 20 HB VAL 20 -9.221 8.927 -3.767 137 1HG1 VAL 20 1HG2 VAL 20 -7.106 9.822 -5.768 138 2HG1 VAL 20 2HG2 VAL 20 -7.055 8.353 -4.769 139 3HG1 VAL 20 3HG2 VAL 20 -8.309 8.540 -5.997 140 1HG2 VAL 20 1HG1 VAL 20 -10.217 10.088 -5.671 141 2HG2 VAL 20 2HG1 VAL 20 -9.103 11.451 -5.476 142 3HG2 VAL 20 3HG1 VAL 20 -10.316 11.103 -4.224 143 HA PRO 21 HA PRO 21 -5.928 8.448 -0.031 144 1HB PRO 21 2HB PRO 21 -7.868 6.166 -0.411 145 2HB PRO 21 1HB PRO 21 -7.059 6.653 1.105 146 1HG PRO 21 1HG PRO 21 -9.590 7.246 0.488 147 2HG PRO 21 2HG PRO 21 -8.586 8.460 1.361 148 1HD PRO 21 1HD PRO 21 -9.552 8.573 -1.448 149 2HD PRO 21 2HD PRO 21 -8.930 9.869 -0.407 150 H VAL 22 H VAL 22 -4.568 6.600 0.095 151 HA VAL 22 HA VAL 22 -4.079 5.150 -2.463 152 HB VAL 22 HB VAL 22 -1.942 6.779 -1.007 153 1HG1 VAL 22 1HG1 VAL 22 -0.628 6.293 -3.060 154 2HG1 VAL 22 2HG1 VAL 22 -1.956 5.305 -3.664 155 3HG1 VAL 22 3HG1 VAL 22 -1.084 4.828 -2.182 156 1HG2 VAL 22 1HG2 VAL 22 -3.365 8.424 -2.018 157 2HG2 VAL 22 2HG2 VAL 22 -3.497 7.489 -3.525 158 3HG2 VAL 22 3HG2 VAL 22 -1.959 8.225 -3.063 159 H LEU 23 H LEU 23 -3.537 3.096 -2.062 160 HA LEU 23 HA LEU 23 -2.760 2.196 0.686 161 1HB LEU 23 1HB LEU 23 -4.864 1.319 -0.219 162 2HB LEU 23 2HB LEU 23 -4.037 0.653 -1.619 163 HG LEU 23 HG LEU 23 -3.549 -0.128 1.293 164 1HD1 LEU 23 1HD2 LEU 23 -1.554 -0.767 0.074 165 2HD1 LEU 23 2HD2 LEU 23 -2.539 -2.215 0.172 166 3HD1 LEU 23 3HD2 LEU 23 -2.510 -1.279 -1.334 167 1HD2 LEU 23 1HD1 LEU 23 -5.121 -1.536 -0.903 168 2HD2 LEU 23 2HD1 LEU 23 -5.809 -0.731 0.523 169 3HD2 LEU 23 3HD1 LEU 23 -4.810 -2.175 0.727 170 H VAL 24 H VAL 24 -0.534 2.206 0.723 171 HA VAL 24 HA VAL 24 0.981 1.378 -1.711 172 HB VAL 24 HB VAL 24 1.960 2.495 0.946 173 1HG1 VAL 24 1HG1 VAL 24 3.371 2.018 -1.723 174 2HG1 VAL 24 2HG1 VAL 24 3.685 1.148 -0.207 175 3HG1 VAL 24 3HG1 VAL 24 4.074 2.863 -0.332 176 1HG2 VAL 24 1HG2 VAL 24 1.574 3.861 -1.744 177 2HG2 VAL 24 2HG2 VAL 24 2.370 4.542 -0.308 178 3HG2 VAL 24 3HG2 VAL 24 0.638 4.186 -0.264 179 H ASP 25 HN ASP 25 1.691 -0.737 -1.811 180 HA ASP 25 HA ASP 25 1.797 -2.351 0.708 181 1HB ASP 25 2HB ASP 25 0.465 -3.396 -0.992 182 2HB ASP 25 1HB ASP 25 1.705 -3.095 -2.212 183 H PHE 26 H PHE 26 3.801 -2.343 1.651 184 HA PHE 26 HA PHE 26 6.213 -1.679 0.050 185 1HB PHE 26 2HB PHE 26 5.757 -2.477 2.948 186 2HB PHE 26 1HB PHE 26 7.343 -2.307 2.220 187 HD1 PHE 26 HD1 PHE 26 4.148 -0.226 2.357 188 HD2 PHE 26 HD2 PHE 26 8.454 -0.339 2.735 189 HE1 PHE 26 HE1 PHE 26 4.172 2.175 2.886 190 HE2 PHE 26 HE2 PHE 26 8.442 2.037 3.394 191 HZ PHE 26 HZ PHE 26 6.281 3.297 3.510 192 H TRP 27 H TRP 27 6.972 -3.243 -1.254 193 HA TRP 27 HA TRP 27 6.684 -6.117 -0.396 194 1HB TRP 27 2HB TRP 27 6.036 -6.775 -2.563 195 2HB TRP 27 1HB TRP 27 4.986 -5.436 -2.150 196 HD1 TRP 27 HD1 TRP 27 5.930 -3.005 -3.198 197 HE1 TRP 27 HE1 TRP 27 7.200 -2.457 -5.394 198 HE3 TRP 27 HE3 TRP 27 7.376 -7.791 -4.604 199 HZ2 TRP 27 HZ2 TRP 27 8.821 -3.910 -7.294 200 HZ3 TRP 27 HZ3 TRP 27 8.299 -8.106 -6.795 201 HH2 TRP 27 HH2 TRP 27 9.210 -6.234 -8.079 202 H ALA 28 H ALA 28 7.973 -7.389 -2.199 203 HA ALA 28 HA ALA 28 10.207 -6.163 -3.442 204 1HB ALA 28 1HB ALA 28 10.849 -7.993 -1.108 205 2HB ALA 28 2HB ALA 28 12.002 -7.363 -2.304 206 3HB ALA 28 3HB ALA 28 11.202 -6.239 -1.180 207 HA PRO 29 HA PRO 29 9.184 -9.749 -5.993 208 1HB PRO 29 2HB PRO 29 12.138 -9.802 -5.867 209 2HB PRO 29 1HB PRO 29 11.155 -10.371 -7.251 210 1HG PRO 29 1HG PRO 29 12.306 -7.890 -7.232 211 2HG PRO 29 2HG PRO 29 10.554 -7.960 -7.569 212 1HD PRO 29 2HD PRO 29 11.966 -7.259 -4.973 213 2HD PRO 29 1HD PRO 29 10.490 -6.590 -5.612 214 H TRP 30 H TRP 30 11.974 -10.615 -3.850 215 HA TRP 30 HA TRP 30 11.420 -13.384 -3.850 216 1HB TRP 30 2HB TRP 30 12.797 -13.390 -1.770 217 2HB TRP 30 1HB TRP 30 13.531 -12.541 -3.123 218 HD1 TRP 30 HD1 TRP 30 14.288 -10.126 -2.745 219 HE1 TRP 30 HE1 TRP 30 14.172 -8.419 -0.807 220 HE3 TRP 30 HE3 TRP 30 11.211 -12.685 0.465 221 HZ2 TRP 30 HZ2 TRP 30 12.846 -8.152 1.701 222 HZ3 TRP 30 HZ3 TRP 30 10.439 -11.617 2.555 223 HH2 TRP 30 HH2 TRP 30 11.180 -9.321 3.145 224 H CYS 31 H CYS 31 9.636 -10.859 -2.345 225 HA CYS 31 HA CYS 31 8.795 -12.302 0.057 226 1HB CYS 31 2HB CYS 31 8.931 -9.855 0.007 227 2HB CYS 31 1HB CYS 31 7.690 -9.825 -1.258 228 H GLY 32 H GLY 32 8.087 -14.282 -0.930 229 1HA GLY 32 2HA GLY 32 6.101 -14.874 -2.656 230 2HA GLY 32 1HA GLY 32 6.220 -15.713 -1.110 231 HA PRO 33 HA PRO 33 2.461 -14.105 0.383 232 1HB PRO 33 2HB PRO 33 3.589 -12.113 2.279 233 2HB PRO 33 1HB PRO 33 2.435 -13.427 2.592 234 1HG PRO 33 1HG PRO 33 5.028 -13.686 3.354 235 2HG PRO 33 2HG PRO 33 4.161 -15.060 2.601 236 1HD PRO 33 2HD PRO 33 6.043 -13.099 1.274 237 2HD PRO 33 1HD PRO 33 6.030 -14.874 1.168 238 H CYS 34 H CYS 34 4.778 -11.504 -0.397 239 HA CYS 34 HA CYS 34 2.849 -9.398 -0.855 240 1HB CYS 34 1HB CYS 34 5.510 -9.576 -2.139 241 2HB CYS 34 2HB CYS 34 4.459 -8.229 -1.867 242 H ARG 35 HN ARG 35 4.714 -11.766 -2.897 243 HA ARG 35 HA ARG 35 3.696 -10.971 -5.396 244 1HB ARG 35 2HB ARG 35 4.561 -13.749 -4.440 245 2HB ARG 35 1HB ARG 35 4.208 -13.286 -6.097 246 1HG ARG 35 2HG ARG 35 6.017 -11.467 -5.835 247 2HG ARG 35 1HG ARG 35 6.520 -12.347 -4.386 248 1HD ARG 35 1HD ARG 35 6.303 -13.443 -7.232 249 2HD ARG 35 2HD ARG 35 7.804 -13.073 -6.409 250 HE ARG 35 HE ARG 35 6.140 -15.441 -6.147 251 1HH1 ARG 35 2HH1 ARG 35 8.529 -13.471 -4.463 252 2HH1 ARG 35 1HH1 ARG 35 9.041 -14.728 -3.371 253 1HH2 ARG 35 1HH2 ARG 35 6.899 -17.163 -4.862 254 2HH2 ARG 35 2HH2 ARG 35 8.169 -16.907 -3.695 255 H ILE 36 H ILE 36 2.399 -13.441 -3.100 256 HA ILE 36 HA ILE 36 0.186 -13.995 -4.929 257 HB ILE 36 HB ILE 36 -0.659 -15.513 -3.241 258 1HG1 ILE 36 2HG1 ILE 36 1.061 -15.950 -1.281 259 2HG1 ILE 36 1HG1 ILE 36 1.408 -14.237 -1.468 260 1HG2 ILE 36 1HG2 ILE 36 1.202 -17.068 -3.330 261 2HG2 ILE 36 2HG2 ILE 36 2.360 -15.755 -3.604 262 3HG2 ILE 36 3HG2 ILE 36 1.145 -16.147 -4.838 263 1HD1 ILE 36 1HD1 ILE 36 -1.315 -15.503 -0.892 264 2HD1 ILE 36 2HD1 ILE 36 -0.273 -14.697 0.294 265 3HD1 ILE 36 3HD1 ILE 36 -1.028 -13.757 -0.997 266 H ILE 37 H ILE 37 0.466 -11.799 -2.042 267 HA ILE 37 HA ILE 37 -2.373 -11.334 -2.218 268 HB ILE 37 HB ILE 37 -0.724 -11.254 -0.157 269 1HG1 ILE 37 1HG1 ILE 37 -2.277 -9.733 1.016 270 2HG1 ILE 37 2HG1 ILE 37 -3.051 -9.333 -0.527 271 1HG2 ILE 37 1HG2 ILE 37 0.045 -9.086 0.495 272 2HG2 ILE 37 2HG2 ILE 37 0.662 -9.378 -1.137 273 3HG2 ILE 37 3HG2 ILE 37 -0.721 -8.297 -0.891 274 1HD1 ILE 37 1HD1 ILE 37 -3.857 -11.612 -0.776 275 2HD1 ILE 37 2HD1 ILE 37 -4.120 -11.191 0.909 276 3HD1 ILE 37 3HD1 ILE 37 -2.739 -12.207 0.465 277 H ALA 38 H ALA 38 0.476 -9.495 -3.393 278 HA ALA 38 HA ALA 38 -0.487 -7.115 -4.066 279 1HB ALA 38 1HB ALA 38 0.879 -7.230 -6.165 280 2HB ALA 38 2HB ALA 38 1.723 -7.777 -4.707 281 3HB ALA 38 3HB ALA 38 1.124 -8.960 -5.884 282 HA PRO 39 HA PRO 39 -2.892 -8.427 -8.059 283 1HB PRO 39 1HB PRO 39 -3.902 -11.155 -7.379 284 2HB PRO 39 2HB PRO 39 -3.276 -10.552 -8.937 285 1HG PRO 39 1HG PRO 39 -1.798 -12.258 -7.392 286 2HG PRO 39 2HG PRO 39 -1.012 -10.881 -8.229 287 1HD PRO 39 1HD PRO 39 -2.070 -10.939 -5.382 288 2HD PRO 39 2HD PRO 39 -0.414 -10.536 -5.920 289 H VAL 40 H VAL 40 -3.679 -9.665 -4.843 290 HA VAL 40 HA VAL 40 -6.538 -9.261 -5.006 291 HB VAL 40 HB VAL 40 -4.798 -9.621 -2.518 292 1HG1 VAL 40 1HG1 VAL 40 -6.817 -10.538 -1.562 293 2HG1 VAL 40 2HG1 VAL 40 -7.698 -10.208 -3.076 294 3HG1 VAL 40 3HG1 VAL 40 -7.064 -8.863 -2.091 295 1HG2 VAL 40 1HG2 VAL 40 -4.330 -11.523 -4.033 296 2HG2 VAL 40 2HG2 VAL 40 -6.068 -11.719 -4.340 297 3HG2 VAL 40 3HG2 VAL 40 -5.397 -12.048 -2.731 298 H VAL 41 H VAL 41 -3.718 -7.576 -3.590 299 HA VAL 41 HA VAL 41 -5.072 -5.321 -2.502 300 HB VAL 41 HB VAL 41 -2.323 -5.331 -3.856 301 1HG1 VAL 41 1HG1 VAL 41 -1.366 -5.734 -1.635 302 2HG1 VAL 41 2HG1 VAL 41 -2.994 -5.964 -0.955 303 3HG1 VAL 41 3HG1 VAL 41 -2.346 -7.093 -2.150 304 1HG2 VAL 41 1HG2 VAL 41 -3.283 -3.061 -3.318 305 2HG2 VAL 41 2HG2 VAL 41 -1.825 -3.444 -2.400 306 3HG2 VAL 41 3HG2 VAL 41 -3.426 -3.568 -1.633 307 H ASP 42 HN ASP 42 -3.642 -5.848 -5.708 308 HA ASP 42 HA ASP 42 -4.355 -3.451 -6.981 309 1HB ASP 42 1HB ASP 42 -4.125 -6.234 -8.208 310 2HB ASP 42 2HB ASP 42 -4.038 -4.707 -9.085 311 H GLU 43 HN GLU 43 -6.149 -6.626 -7.119 312 HA GLU 43 HA GLU 43 -8.169 -5.578 -8.762 313 1HB GLU 43 1HB GLU 43 -9.279 -7.525 -8.525 314 2HB GLU 43 2HB GLU 43 -7.639 -8.051 -8.165 315 1HG GLU 43 2HG GLU 43 -8.284 -7.901 -5.688 316 2HG GLU 43 1HG GLU 43 -9.946 -7.585 -6.207 317 H ILE 44 H ILE 44 -8.104 -5.863 -5.148 318 HA ILE 44 HA ILE 44 -10.690 -4.860 -4.660 319 HB ILE 44 HB ILE 44 -8.100 -4.563 -3.075 320 1HG1 ILE 44 2HG1 ILE 44 -10.538 -6.345 -2.619 321 2HG1 ILE 44 1HG1 ILE 44 -9.118 -6.889 -3.493 322 1HG2 ILE 44 1HG2 ILE 44 -10.971 -3.933 -2.232 323 2HG2 ILE 44 2HG2 ILE 44 -9.577 -3.970 -1.134 324 3HG2 ILE 44 3HG2 ILE 44 -9.651 -2.755 -2.390 325 1HD1 ILE 44 1HD1 ILE 44 -9.136 -6.014 -0.576 326 2HD1 ILE 44 2HD1 ILE 44 -7.689 -6.442 -1.516 327 3HD1 ILE 44 3HD1 ILE 44 -8.951 -7.647 -1.202 328 H ALA 45 H ALA 45 -7.602 -3.026 -4.954 329 HA ALA 45 HA ALA 45 -8.800 -0.439 -4.753 330 1HB ALA 45 1HB ALA 45 -6.661 0.333 -5.609 331 2HB ALA 45 2HB ALA 45 -6.447 -0.946 -4.401 332 3HB ALA 45 3HB ALA 45 -6.255 -1.321 -6.138 333 H GLY 46 H GLY 46 -8.417 -2.666 -7.531 334 1HA GLY 46 1HA GLY 46 -8.951 -0.774 -9.622 335 2HA GLY 46 2HA GLY 46 -9.125 -2.541 -9.681 336 H GLU 47 HN GLU 47 -10.947 -2.943 -7.573 337 HA GLU 47 HA GLU 47 -13.468 -2.277 -8.812 338 1HB GLU 47 2HB GLU 47 -12.980 -3.268 -5.963 339 2HB GLU 47 1HB GLU 47 -14.480 -3.287 -6.888 340 1HG GLU 47 2HG GLU 47 -12.932 -4.669 -8.636 341 2HG GLU 47 1HG GLU 47 -12.014 -4.993 -7.170 342 H TYR 48 H TYR 48 -11.842 -1.180 -5.860 343 HA TYR 48 HA TYR 48 -13.804 0.961 -5.374 344 1HB TYR 48 1HB TYR 48 -11.216 0.253 -3.960 345 2HB TYR 48 2HB TYR 48 -12.439 1.389 -3.390 346 HD1 TYR 48 HD1 TYR 48 -11.792 -0.353 -1.413 347 HD2 TYR 48 HD2 TYR 48 -14.455 -1.182 -4.718 348 HE1 TYR 48 HE1 TYR 48 -12.922 -2.125 -0.107 349 HE2 TYR 48 HE2 TYR 48 -15.347 -3.111 -3.526 350 HH TYR 48 HH TYR 48 -15.055 -3.303 -0.085 351 H LYS 49 HN LYS 49 -13.174 1.530 -7.661 352 HA LYS 49 HA LYS 49 -10.946 2.797 -8.593 353 1HB LYS 49 2HB LYS 49 -13.866 3.459 -9.126 354 2HB LYS 49 1HB LYS 49 -12.506 4.093 -10.075 355 1HG LYS 49 2HG LYS 49 -11.793 1.800 -10.638 356 2HG LYS 49 1HG LYS 49 -13.112 1.144 -9.655 357 1HD LYS 49 2HD LYS 49 -14.793 2.119 -11.120 358 2HD LYS 49 1HD LYS 49 -13.540 2.927 -12.081 359 1HE LYS 49 1HE LYS 49 -14.361 0.841 -13.165 360 2HE LYS 49 2HE LYS 49 -12.626 0.779 -12.812 361 1HZ LYS 49 1HZ LYS 49 -13.081 -0.546 -10.911 362 2HZ LYS 49 2HZ LYS 49 -14.712 -0.440 -11.141 363 3HZ LYS 49 3HZ LYS 49 -13.773 -1.244 -12.232 364 H ASP 50 HN ASP 50 -13.685 4.660 -7.353 365 HA ASP 50 HA ASP 50 -12.601 7.193 -7.365 366 1HB ASP 50 2HB ASP 50 -14.962 6.666 -6.946 367 2HB ASP 50 1HB ASP 50 -14.569 5.952 -5.387 368 H LYS 51 HN LYS 51 -12.819 5.158 -4.495 369 HA LYS 51 HA LYS 51 -11.567 7.141 -2.873 370 1HB LYS 51 1HB LYS 51 -12.123 4.252 -2.230 371 2HB LYS 51 2HB LYS 51 -11.810 5.524 -1.051 372 1HG LYS 51 1HG LYS 51 -13.821 6.741 -1.795 373 2HG LYS 51 2HG LYS 51 -14.242 5.443 -2.908 374 1HD LYS 51 2HD LYS 51 -13.942 5.051 0.118 375 2HD LYS 51 1HD LYS 51 -15.450 5.453 -0.701 376 1HE LYS 51 2HE LYS 51 -15.630 3.172 -0.452 377 2HE LYS 51 1HE LYS 51 -15.078 3.309 -2.128 378 1HZ LYS 51 1HZ LYS 51 -13.446 2.702 0.253 379 2HZ LYS 51 2HZ LYS 51 -12.859 2.773 -1.289 380 3HZ LYS 51 3HZ LYS 51 -13.950 1.614 -0.869 381 H LEU 52 H LEU 52 -10.285 3.883 -3.754 382 HA LEU 52 HA LEU 52 -7.780 4.812 -2.320 383 1HB LEU 52 1HB LEU 52 -9.302 3.329 -1.079 384 2HB LEU 52 2HB LEU 52 -9.006 2.059 -2.278 385 HG LEU 52 HG LEU 52 -6.628 2.012 -1.648 386 1HD1 LEU 52 1HD2 LEU 52 -5.845 3.261 0.391 387 2HD1 LEU 52 2HD2 LEU 52 -7.342 4.188 0.364 388 3HD1 LEU 52 3HD2 LEU 52 -6.170 4.308 -0.981 389 1HD2 LEU 52 1HD1 LEU 52 -8.318 0.691 -0.339 390 2HD2 LEU 52 2HD1 LEU 52 -8.578 2.098 0.720 391 3HD2 LEU 52 3HD1 LEU 52 -7.029 1.252 0.759 392 H LYS 53 HN LYS 53 -6.078 5.015 -3.509 393 HA LYS 53 HA LYS 53 -5.803 3.546 -6.051 394 1HB LYS 53 1HB LYS 53 -5.510 6.038 -5.669 395 2HB LYS 53 2HB LYS 53 -4.016 5.691 -4.826 396 1HG LYS 53 1HG LYS 53 -4.459 4.625 -7.646 397 2HG LYS 53 2HG LYS 53 -4.067 6.334 -7.388 398 1HD LYS 53 1HD LYS 53 -1.971 5.757 -6.283 399 2HD LYS 53 2HD LYS 53 -2.392 4.040 -6.328 400 1HE LYS 53 1HE LYS 53 -0.792 4.541 -8.086 401 2HE LYS 53 2HE LYS 53 -2.331 4.012 -8.777 402 1HZ LYS 53 1HZ LYS 53 -2.845 6.313 -9.199 403 2HZ LYS 53 2HZ LYS 53 -1.425 6.801 -8.518 404 3HZ LYS 53 3HZ LYS 53 -1.413 5.911 -9.905 405 H CYS 54 H CYS 54 -4.780 1.625 -6.116 406 HA CYS 54 HA CYS 54 -3.095 0.777 -3.850 407 1HB CYS 54 1HB CYS 54 -4.255 -1.043 -4.679 408 2HB CYS 54 2HB CYS 54 -4.035 -0.574 -6.381 409 HG CYS 54 HG CYS 54 -2.700 -2.771 -5.982 410 H VAL 55 H VAL 55 -0.886 0.541 -3.798 411 HA VAL 55 HA VAL 55 0.654 0.912 -6.238 412 HB VAL 55 HB VAL 55 1.992 2.525 -4.244 413 1HG1 VAL 55 1HG1 VAL 55 -0.200 3.074 -3.295 414 2HG1 VAL 55 2HG1 VAL 55 -0.754 3.626 -4.893 415 3HG1 VAL 55 3HG1 VAL 55 0.579 4.456 -4.091 416 1HG2 VAL 55 1HG2 VAL 55 1.885 4.184 -6.086 417 2HG2 VAL 55 2HG2 VAL 55 0.733 3.140 -6.941 418 3HG2 VAL 55 3HG2 VAL 55 2.392 2.574 -6.649 419 H LYS 56 HN LYS 56 2.949 0.464 -5.842 420 HA LYS 56 HA LYS 56 3.378 -1.428 -3.587 421 1HB LYS 56 2HB LYS 56 3.418 -1.812 -6.559 422 2HB LYS 56 1HB LYS 56 4.503 -2.780 -5.551 423 1HG LYS 56 1HG LYS 56 2.700 -3.656 -4.231 424 2HG LYS 56 2HG LYS 56 1.504 -2.610 -5.009 425 1HD LYS 56 1HD LYS 56 3.123 -4.748 -6.443 426 2HD LYS 56 2HD LYS 56 1.494 -4.964 -5.763 427 1HE LYS 56 1HE LYS 56 0.680 -3.059 -7.219 428 2HE LYS 56 2HE LYS 56 2.260 -3.054 -8.024 429 1HZ LYS 56 1HZ LYS 56 0.328 -5.261 -7.951 430 2HZ LYS 56 2HZ LYS 56 0.725 -4.330 -9.240 431 3HZ LYS 56 3HZ LYS 56 1.841 -5.365 -8.609 432 H LEU 57 H LEU 57 5.131 -0.828 -2.534 433 HA LEU 57 HA LEU 57 7.221 0.860 -3.876 434 1HB LEU 57 2HB LEU 57 6.173 1.734 -1.745 435 2HB LEU 57 1HB LEU 57 6.843 0.329 -0.945 436 HG LEU 57 HG LEU 57 9.069 1.397 -2.155 437 1HD1 LEU 57 1HD2 LEU 57 9.483 2.331 0.178 438 2HD1 LEU 57 2HD2 LEU 57 7.784 2.011 0.534 439 3HD1 LEU 57 3HD2 LEU 57 8.890 0.659 0.181 440 1HD2 LEU 57 1HD1 LEU 57 8.976 3.832 -1.741 441 2HD2 LEU 57 2HD1 LEU 57 7.728 3.377 -2.923 442 3HD2 LEU 57 3HD1 LEU 57 7.290 3.707 -1.235 443 H ASN 58 H ASN 58 8.995 -0.250 -4.582 444 HA ASN 58 HA ASN 58 9.552 -2.924 -3.521 445 1HB ASN 58 1HB ASN 58 10.122 -2.380 -5.846 446 2HB ASN 58 2HB ASN 58 11.258 -1.145 -5.302 447 1HD2 ASN 58 2HD2 ASN 58 11.149 -4.273 -6.397 448 2HD2 ASN 58 1HD2 ASN 58 12.597 -4.887 -5.612 449 H THR 59 H THR 59 10.197 -3.152 -1.573 450 HA THR 59 HA THR 59 11.031 -1.099 0.191 451 HB THR 59 HB THR 59 11.215 -4.146 0.360 452 HG1 THR 59 HG1 THR 59 9.138 -3.479 0.050 453 1HG2 THR 59 1HG2 THR 59 11.357 -2.035 2.529 454 2HG2 THR 59 2HG2 THR 59 12.628 -3.196 2.070 455 3HG2 THR 59 3HG2 THR 59 11.126 -3.786 2.800 456 H ASP 60 HN ASP 60 12.847 -3.510 -1.657 457 HA ASP 60 HA ASP 60 15.380 -3.186 -0.280 458 1HB ASP 60 2HB ASP 60 14.797 -5.243 -1.361 459 2HB ASP 60 1HB ASP 60 14.399 -4.430 -2.854 460 H GLU 61 HN GLU 61 13.807 -1.818 -3.119 461 HA GLU 61 HA GLU 61 16.049 -0.126 -3.909 462 1HB GLU 61 2HB GLU 61 14.314 -1.225 -5.411 463 2HB GLU 61 1HB GLU 61 13.131 -0.075 -4.753 464 1HG GLU 61 2HG GLU 61 14.480 1.805 -5.662 465 2HG GLU 61 1HG GLU 61 15.675 0.643 -6.243 466 H SER 62 H SER 62 13.238 0.142 -1.847 467 HA SER 62 HA SER 62 13.594 3.081 -1.440 468 1HB SER 62 2HB SER 62 11.120 1.381 -1.130 469 2HB SER 62 1HB SER 62 11.163 3.119 -1.186 470 HG SER 62 HG SER 62 11.573 1.160 -3.164 471 HA PRO 63 HA PRO 63 14.013 0.615 2.647 472 1HB PRO 63 1HB PRO 63 16.647 1.075 3.216 473 2HB PRO 63 2HB PRO 63 16.105 -0.297 2.195 474 1HG PRO 63 1HG PRO 63 17.156 2.402 1.294 475 2HG PRO 63 2HG PRO 63 17.631 0.783 0.700 476 1HD PRO 63 1HD PRO 63 15.782 2.300 -0.621 477 2HD PRO 63 2HD PRO 63 15.576 0.532 -0.483 478 H ASN 64 H ASN 64 15.097 3.664 1.356 479 HA ASN 64 HA ASN 64 15.515 5.261 3.613 480 1HB ASN 64 1HB ASN 64 14.063 5.986 1.034 481 2HB ASN 64 2HB ASN 64 14.679 7.155 2.212 482 1HD2 ASN 64 1HD2 ASN 64 15.543 7.473 -0.354 483 2HD2 ASN 64 2HD2 ASN 64 17.217 6.940 -0.477 484 H VAL 65 H VAL 65 12.412 4.653 1.948 485 HA VAL 65 HA VAL 65 10.786 6.101 3.783 486 HB VAL 65 HB VAL 65 10.043 3.743 1.986 487 1HG1 VAL 65 1HG2 VAL 65 8.328 4.337 3.679 488 2HG1 VAL 65 2HG2 VAL 65 7.801 4.712 2.030 489 3HG1 VAL 65 3HG2 VAL 65 8.357 6.016 3.109 490 1HG2 VAL 65 1HG1 VAL 65 11.099 5.452 0.624 491 2HG2 VAL 65 2HG1 VAL 65 9.347 5.529 0.382 492 3HG2 VAL 65 3HG1 VAL 65 10.150 6.730 1.417 493 H ALA 66 H ALA 66 11.300 2.618 3.400 494 HA ALA 66 HA ALA 66 9.812 1.699 5.579 495 1HB ALA 66 1HB ALA 66 11.219 -0.339 5.469 496 2HB ALA 66 2HB ALA 66 10.737 0.226 3.857 497 3HB ALA 66 3HB ALA 66 12.388 0.526 4.455 498 H SER 67 H SER 67 13.265 2.687 5.619 499 HA SER 67 HA SER 67 13.675 2.042 8.383 500 1HB SER 67 1HB SER 67 15.714 3.434 8.172 501 2HB SER 67 2HB SER 67 15.573 2.212 6.897 502 HG SER 67 HG SER 67 14.859 3.833 5.488 503 H GLU 68 HN GLU 68 12.971 5.136 6.728 504 HA GLU 68 HA GLU 68 12.758 6.750 9.049 505 1HB GLU 68 2HB GLU 68 11.330 6.849 6.356 506 2HB GLU 68 1HB GLU 68 11.086 8.076 7.599 507 1HG GLU 68 2HG GLU 68 13.842 7.353 6.493 508 2HG GLU 68 1HG GLU 68 12.830 8.655 5.854 509 H TYR 69 H TYR 69 10.337 4.628 7.542 510 HA TYR 69 HA TYR 69 8.273 5.273 9.495 511 1HB TYR 69 1HB TYR 69 8.593 3.485 7.115 512 2HB TYR 69 2HB TYR 69 7.526 2.880 8.339 513 HD1 TYR 69 HD1 TYR 69 7.939 5.353 5.704 514 HD2 TYR 69 HD2 TYR 69 5.641 4.410 9.218 515 HE1 TYR 69 HE1 TYR 69 6.240 7.035 5.042 516 HE2 TYR 69 HE2 TYR 69 4.013 6.178 8.625 517 HH TYR 69 HH TYR 69 3.468 7.839 7.137 518 H GLY 70 H GLY 70 10.903 2.960 9.372 519 1HA GLY 70 1HA GLY 70 11.823 1.829 11.161 520 2HA GLY 70 2HA GLY 70 10.449 2.276 12.183 521 H ILE 71 H ILE 71 10.406 0.627 8.968 522 HA ILE 71 HA ILE 71 9.380 -1.854 10.252 523 HB ILE 71 HB ILE 71 8.032 -2.051 8.169 524 1HG1 ILE 71 1HG1 ILE 71 8.538 0.909 7.753 525 2HG1 ILE 71 2HG1 ILE 71 9.396 -0.358 6.867 526 1HG2 ILE 71 1HG2 ILE 71 6.210 -0.606 8.989 527 2HG2 ILE 71 2HG2 ILE 71 7.372 0.420 9.849 528 3HG2 ILE 71 3HG2 ILE 71 7.098 -1.254 10.368 529 1HD1 ILE 71 1HD1 ILE 71 6.384 -0.001 6.827 530 2HD1 ILE 71 2HD1 ILE 71 7.316 -1.224 5.936 531 3HD1 ILE 71 3HD1 ILE 71 7.518 0.503 5.579 532 H ARG 72 HN ARG 72 9.582 -3.690 8.645 533 HA ARG 72 HA ARG 72 11.845 -3.570 6.791 534 1HB ARG 72 1HB ARG 72 13.063 -3.781 8.863 535 2HB ARG 72 2HB ARG 72 12.003 -5.069 9.448 536 1HG ARG 72 2HG ARG 72 12.785 -6.610 7.729 537 2HG ARG 72 1HG ARG 72 13.744 -5.329 6.955 538 1HD ARG 72 2HD ARG 72 14.162 -6.394 9.783 539 2HD ARG 72 1HD ARG 72 15.106 -6.871 8.352 540 HE ARG 72 HE ARG 72 15.207 -4.065 8.506 541 1HH1 ARG 72 2HH2 ARG 72 16.321 -6.850 10.363 542 2HH1 ARG 72 1HH2 ARG 72 17.696 -6.030 11.050 543 1HH2 ARG 72 1HH1 ARG 72 16.992 -2.969 9.394 544 2HH2 ARG 72 2HH1 ARG 72 18.087 -3.777 10.481 545 H SER 73 H SER 73 9.937 -5.935 8.805 546 HA SER 73 HA SER 73 9.816 -7.906 6.845 547 1HB SER 73 2HB SER 73 7.531 -7.436 8.743 548 2HB SER 73 1HB SER 73 8.359 -8.948 8.332 549 HG SER 73 HG SER 73 10.136 -8.258 9.563 550 H ILE 74 H ILE 74 8.115 -8.517 5.402 551 HA ILE 74 HA ILE 74 6.107 -6.530 4.690 552 HB ILE 74 HB ILE 74 6.885 -6.810 2.226 553 1HG1 ILE 74 1HG1 ILE 74 9.591 -7.360 3.470 554 2HG1 ILE 74 2HG1 ILE 74 8.563 -8.618 2.757 555 1HG2 ILE 74 1HG2 ILE 74 8.698 -5.175 4.055 556 2HG2 ILE 74 2HG2 ILE 74 7.032 -4.715 3.660 557 3HG2 ILE 74 3HG2 ILE 74 8.242 -4.818 2.385 558 1HD1 ILE 74 1HD1 ILE 74 9.632 -6.164 1.294 559 2HD1 ILE 74 2HD1 ILE 74 8.514 -7.373 0.615 560 3HD1 ILE 74 3HD1 ILE 74 10.146 -7.837 1.093 561 HA PRO 75 HA PRO 75 4.701 -6.688 2.434 562 1HB PRO 75 2HB PRO 75 1.993 -7.111 2.433 563 2HB PRO 75 1HB PRO 75 3.131 -7.738 1.228 564 1HG PRO 75 1HG PRO 75 1.981 -9.120 3.662 565 2HG PRO 75 2HG PRO 75 2.148 -9.801 2.017 566 1HD PRO 75 1HD PRO 75 3.931 -10.334 4.052 567 2HD PRO 75 2HD PRO 75 4.468 -10.203 2.356 568 H THR 76 H THR 76 4.006 -4.852 3.156 569 HA THR 76 HA THR 76 2.659 -4.538 5.766 570 HB THR 76 HB THR 76 5.378 -3.355 5.095 571 HG1 THR 76 HG1 THR 76 5.924 -4.826 6.511 572 1HG2 THR 76 1HG2 THR 76 5.070 -2.093 7.257 573 2HG2 THR 76 2HG2 THR 76 3.347 -2.512 7.214 574 3HG2 THR 76 3HG2 THR 76 4.052 -1.495 5.936 575 H ILE 77 H ILE 77 0.873 -3.705 4.976 576 HA ILE 77 HA ILE 77 0.834 -1.942 2.616 577 HB ILE 77 HB ILE 77 -1.236 -3.413 4.263 578 1HG1 ILE 77 2HG1 ILE 77 -1.976 -4.156 1.990 579 2HG1 ILE 77 1HG1 ILE 77 -0.609 -3.291 1.278 580 1HG2 ILE 77 1HG2 ILE 77 -2.975 -2.264 2.812 581 2HG2 ILE 77 2HG2 ILE 77 -2.262 -1.256 4.066 582 3HG2 ILE 77 3HG2 ILE 77 -1.712 -1.085 2.387 583 1HD1 ILE 77 1HD1 ILE 77 -0.381 -5.557 3.316 584 2HD1 ILE 77 2HD1 ILE 77 0.955 -4.807 2.410 585 3HD1 ILE 77 3HD1 ILE 77 -0.264 -5.756 1.555 586 H MET 78 H MET 78 0.569 0.283 2.868 587 HA MET 78 HA MET 78 -0.152 1.387 5.544 588 1HB MET 78 1HB MET 78 2.024 2.335 3.661 589 2HB MET 78 2HB MET 78 1.367 3.294 5.000 590 1HG MET 78 2HG MET 78 1.926 1.434 6.569 591 2HG MET 78 1HG MET 78 2.771 0.621 5.256 592 1HE MET 78 1HE MET 78 3.601 1.974 8.424 593 2HE MET 78 2HE MET 78 4.274 0.597 7.533 594 3HE MET 78 3HE MET 78 5.329 1.950 8.012 595 H VAL 79 H VAL 79 -1.874 2.628 5.380 596 HA VAL 79 HA VAL 79 -2.822 3.378 2.654 597 HB VAL 79 HB VAL 79 -4.269 3.213 5.331 598 1HG1 VAL 79 1HG1 VAL 79 -5.615 1.491 4.178 599 2HG1 VAL 79 2HG1 VAL 79 -4.634 1.687 2.711 600 3HG1 VAL 79 3HG1 VAL 79 -3.904 1.032 4.194 601 1HG2 VAL 79 1HG2 VAL 79 -5.152 5.162 4.123 602 2HG2 VAL 79 2HG2 VAL 79 -6.289 3.830 3.961 603 3HG2 VAL 79 3HG2 VAL 79 -5.205 4.250 2.612 604 H PHE 80 H PHE 80 -3.118 5.493 2.132 605 HA PHE 80 HA PHE 80 -2.553 7.603 4.151 606 1HB PHE 80 2HB PHE 80 -1.701 7.589 1.241 607 2HB PHE 80 1HB PHE 80 -1.526 8.888 2.397 608 HD1 PHE 80 HD1 PHE 80 -0.449 5.325 1.800 609 HD2 PHE 80 HD2 PHE 80 0.493 9.120 3.634 610 HE1 PHE 80 HE1 PHE 80 1.672 4.394 2.646 611 HE2 PHE 80 HE2 PHE 80 2.619 8.184 4.463 612 HZ PHE 80 HZ PHE 80 3.158 5.778 4.095 613 H LYS 81 HN LYS 81 -3.518 9.591 3.594 614 HA LYS 81 HA LYS 81 -5.894 9.537 1.814 615 1HB LYS 81 2HB LYS 81 -7.491 9.839 3.500 616 2HB LYS 81 1HB LYS 81 -6.523 8.454 3.979 617 1HG LYS 81 1HG LYS 81 -6.684 11.199 5.220 618 2HG LYS 81 2HG LYS 81 -6.926 9.618 5.952 619 1HD LYS 81 1HD LYS 81 -4.426 9.194 5.625 620 2HD LYS 81 2HD LYS 81 -4.277 10.901 5.147 621 1HE LYS 81 2HE LYS 81 -5.362 9.912 7.826 622 2HE LYS 81 1HE LYS 81 -3.726 10.515 7.539 623 1HZ LYS 81 1HZ LYS 81 -5.117 12.218 8.406 624 2HZ LYS 81 2HZ LYS 81 -4.674 12.606 6.866 625 3HZ LYS 81 3HZ LYS 81 -6.196 12.055 7.172 626 H GLY 82 H GLY 82 -3.559 10.963 1.488 627 1HA GLY 82 2HA GLY 82 -3.429 13.211 0.622 628 2HA GLY 82 1HA GLY 82 -4.556 13.742 1.884 629 H GLY 83 H GLY 83 -1.199 13.121 1.129 630 1HA GLY 83 2HA GLY 83 0.696 13.759 2.195 631 2HA GLY 83 1HA GLY 83 -0.281 14.682 3.333 632 H LYS 84 HN LYS 84 -1.474 13.247 4.956 633 HA LYS 84 HA LYS 84 0.629 11.734 6.359 634 1HB LYS 84 2HB LYS 84 -2.212 12.392 7.209 635 2HB LYS 84 1HB LYS 84 -0.927 11.792 8.257 636 1HG LYS 84 2HG LYS 84 -0.979 14.506 6.851 637 2HG LYS 84 1HG LYS 84 -1.275 14.185 8.562 638 1HD LYS 84 2HD LYS 84 1.063 13.263 8.761 639 2HD LYS 84 1HD LYS 84 1.361 13.752 7.078 640 1HE LYS 84 1HE LYS 84 0.848 16.110 7.666 641 2HE LYS 84 2HE LYS 84 0.576 15.629 9.353 642 1HZ LYS 84 1HZ LYS 84 3.097 15.341 7.877 643 2HZ LYS 84 2HZ LYS 84 2.764 16.483 9.017 644 3HZ LYS 84 3HZ LYS 84 2.844 14.894 9.444 645 H LYS 85 HN LYS 85 0.155 9.789 7.471 646 HA LYS 85 HA LYS 85 -1.001 7.734 5.715 647 1HB LYS 85 2HB LYS 85 1.287 7.527 6.802 648 2HB LYS 85 1HB LYS 85 0.447 7.430 8.360 649 1HG LYS 85 2HG LYS 85 -0.815 5.401 7.419 650 2HG LYS 85 1HG LYS 85 0.169 5.559 5.960 651 1HD LYS 85 2HD LYS 85 1.023 3.805 7.364 652 2HD LYS 85 1HD LYS 85 2.211 5.110 7.280 653 1HE LYS 85 2HE LYS 85 1.530 5.886 9.540 654 2HE LYS 85 1HE LYS 85 0.200 4.713 9.565 655 1HZ LYS 85 1HZ LYS 85 3.059 4.060 9.468 656 2HZ LYS 85 2HZ LYS 85 2.094 3.982 10.802 657 3HZ LYS 85 3HZ LYS 85 1.821 2.973 9.529 658 H CYS 86 H CYS 86 -2.739 6.462 6.404 659 HA CYS 86 HA CYS 86 -4.507 7.564 8.523 660 1HB CYS 86 2HB CYS 86 -5.525 7.076 6.345 661 2HB CYS 86 1HB CYS 86 -4.922 5.418 6.390 662 HG CYS 86 HG CYS 86 -6.978 6.913 8.493 663 H GLU 87 HN GLU 87 -3.585 4.292 7.428 664 HA GLU 87 HA GLU 87 -2.683 3.435 10.073 665 1HB GLU 87 1HB GLU 87 -5.167 2.350 8.690 666 2HB GLU 87 2HB GLU 87 -4.354 1.478 9.998 667 1HG GLU 87 1HG GLU 87 -5.702 4.186 10.252 668 2HG GLU 87 2HG GLU 87 -6.330 2.640 10.803 669 H THR 88 H THR 88 -2.452 0.769 9.724 670 HA THR 88 HA THR 88 -1.278 0.225 7.103 671 HB THR 88 HB THR 88 0.542 1.272 8.374 672 HG1 THR 88 HG1 THR 88 1.002 -0.722 7.187 673 1HG2 THR 88 1HG2 THR 88 1.376 0.312 10.498 674 2HG2 THR 88 2HG2 THR 88 -0.003 -0.798 10.552 675 3HG2 THR 88 3HG2 THR 88 -0.259 0.957 10.687 676 H ILE 89 H ILE 89 -0.636 -2.139 6.960 677 HA ILE 89 HA ILE 89 -1.991 -3.933 8.867 678 HB ILE 89 HB ILE 89 -2.365 -4.335 5.871 679 1HG1 ILE 89 2HG1 ILE 89 -4.390 -3.033 7.728 680 2HG1 ILE 89 1HG1 ILE 89 -3.517 -2.213 6.418 681 1HG2 ILE 89 1HG2 ILE 89 -2.541 -6.282 7.444 682 2HG2 ILE 89 2HG2 ILE 89 -3.863 -5.444 8.282 683 3HG2 ILE 89 3HG2 ILE 89 -4.039 -5.956 6.590 684 1HD1 ILE 89 1HD1 ILE 89 -5.555 -4.424 6.047 685 2HD1 ILE 89 2HD1 ILE 89 -5.678 -2.722 5.584 686 3HD1 ILE 89 3HD1 ILE 89 -4.512 -3.774 4.761 687 H ILE 90 H ILE 90 -0.732 -5.921 8.977 688 HA ILE 90 HA ILE 90 1.696 -6.011 7.234 689 HB ILE 90 HB ILE 90 1.516 -6.615 10.213 690 1HG1 ILE 90 2HG1 ILE 90 2.919 -4.374 8.677 691 2HG1 ILE 90 1HG1 ILE 90 1.511 -4.184 9.730 692 1HG2 ILE 90 1HG2 ILE 90 3.888 -6.716 8.283 693 2HG2 ILE 90 2HG2 ILE 90 3.953 -7.032 10.030 694 3HG2 ILE 90 3HG2 ILE 90 3.079 -8.132 8.986 695 1HD1 ILE 90 1HD1 ILE 90 4.324 -4.912 10.595 696 2HD1 ILE 90 2HD1 ILE 90 3.388 -3.462 10.972 697 3HD1 ILE 90 3HD1 ILE 90 2.895 -5.024 11.657 698 H GLY 91 H GLY 91 2.109 -7.972 6.362 699 1HA GLY 91 2HA GLY 91 2.047 -10.277 6.137 700 2HA GLY 91 1HA GLY 91 0.825 -10.420 7.406 701 H ALA 92 H ALA 92 0.795 -11.758 4.882 702 HA ALA 92 HA ALA 92 -1.083 -10.440 3.074 703 1HB ALA 92 1HB ALA 92 0.027 -13.275 3.217 704 2HB ALA 92 2HB ALA 92 0.603 -11.941 2.185 705 3HB ALA 92 3HB ALA 92 -1.000 -12.646 1.918 706 H VAL 93 H VAL 93 -2.672 -9.978 4.829 707 HA VAL 93 HA VAL 93 -4.113 -12.221 5.971 708 HB VAL 93 HB VAL 93 -5.645 -10.571 6.861 709 1HG1 VAL 93 1HG2 VAL 93 -5.938 -9.046 4.996 710 2HG1 VAL 93 2HG2 VAL 93 -5.378 -8.143 6.398 711 3HG1 VAL 93 3HG2 VAL 93 -4.246 -8.523 5.083 712 1HG2 VAL 93 1HG1 VAL 93 -4.119 -9.275 8.212 713 2HG2 VAL 93 2HG1 VAL 93 -2.803 -9.494 7.048 714 3HG2 VAL 93 3HG1 VAL 93 -3.433 -10.888 7.951 715 HA PRO 94 HA PRO 94 -6.772 -13.264 2.636 716 1HB PRO 94 2HB PRO 94 -9.116 -12.969 4.513 717 2HB PRO 94 1HB PRO 94 -8.784 -14.299 3.376 718 1HG PRO 94 1HG PRO 94 -8.207 -14.610 6.016 719 2HG PRO 94 2HG PRO 94 -7.019 -15.140 4.787 720 1HD PRO 94 1HD PRO 94 -6.997 -12.600 6.426 721 2HD PRO 94 2HD PRO 94 -5.662 -13.715 6.011 722 H LYS 95 HN LYS 95 -8.217 -12.483 1.115 723 HA LYS 95 HA LYS 95 -8.371 -9.823 0.502 724 1HB LYS 95 2HB LYS 95 -8.850 -11.761 -0.997 725 2HB LYS 95 1HB LYS 95 -10.366 -12.062 -0.140 726 1HG LYS 95 2HG LYS 95 -11.116 -9.720 -0.884 727 2HG LYS 95 1HG LYS 95 -9.693 -9.695 -1.927 728 1HD LYS 95 2HD LYS 95 -11.977 -11.722 -1.990 729 2HD LYS 95 1HD LYS 95 -11.700 -10.407 -3.140 730 1HE LYS 95 1HE LYS 95 -9.518 -11.474 -3.791 731 2HE LYS 95 2HE LYS 95 -9.896 -12.840 -2.723 732 1HZ LYS 95 1HZ LYS 95 -11.482 -11.972 -5.026 733 2HZ LYS 95 2HZ LYS 95 -10.491 -13.284 -4.962 734 3HZ LYS 95 3HZ LYS 95 -11.849 -13.234 -4.029 735 H ALA 96 H ALA 96 -10.884 -11.762 2.122 736 HA ALA 96 HA ALA 96 -12.850 -9.751 2.460 737 1HB ALA 96 1HB ALA 96 -13.683 -11.183 4.301 738 2HB ALA 96 2HB ALA 96 -13.264 -12.149 2.873 739 3HB ALA 96 3HB ALA 96 -12.171 -12.116 4.275 740 H THR 97 H THR 97 -10.067 -10.680 4.557 741 HA THR 97 HA THR 97 -10.648 -8.834 6.644 742 HB THR 97 HB THR 97 -7.913 -9.936 5.890 743 HG1 THR 97 HG1 THR 97 -10.069 -11.227 7.207 744 1HG2 THR 97 1HG2 THR 97 -9.257 -9.337 8.568 745 2HG2 THR 97 2HG2 THR 97 -7.631 -10.010 8.346 746 3HG2 THR 97 3HG2 THR 97 -7.986 -8.362 7.799 747 H ILE 98 H ILE 98 -8.530 -8.682 3.713 748 HA ILE 98 HA ILE 98 -7.427 -6.114 4.204 749 HB ILE 98 HB ILE 98 -8.106 -7.450 1.535 750 1HG1 ILE 98 1HG1 ILE 98 -5.515 -7.245 3.132 751 2HG1 ILE 98 2HG1 ILE 98 -6.504 -8.692 2.888 752 1HG2 ILE 98 1HG2 ILE 98 -6.540 -5.786 0.546 753 2HG2 ILE 98 2HG2 ILE 98 -7.885 -4.952 1.294 754 3HG2 ILE 98 3HG2 ILE 98 -6.327 -5.031 2.137 755 1HD1 ILE 98 1HD1 ILE 98 -6.097 -8.535 0.425 756 2HD1 ILE 98 2HD1 ILE 98 -4.906 -7.250 0.760 757 3HD1 ILE 98 3HD1 ILE 98 -4.669 -8.866 1.424 758 H VAL 99 H VAL 99 -10.375 -6.986 2.311 759 HA VAL 99 HA VAL 99 -11.271 -4.374 1.754 760 HB VAL 99 HB VAL 99 -12.726 -7.012 2.209 761 1HG1 VAL 99 1HG1 VAL 99 -14.713 -5.888 1.114 762 2HG1 VAL 99 2HG1 VAL 99 -13.911 -4.332 1.429 763 3HG1 VAL 99 3HG1 VAL 99 -14.412 -5.378 2.773 764 1HG2 VAL 99 1HG2 VAL 99 -11.293 -6.802 0.183 765 2HG2 VAL 99 2HG2 VAL 99 -13.007 -6.925 -0.233 766 3HG2 VAL 99 3HG2 VAL 99 -12.194 -5.348 -0.293 767 H GLN 100 H GLN 100 -12.303 -6.478 4.480 768 HA GLN 100 HA GLN 100 -13.963 -4.687 5.789 769 1HB GLN 100 1HB GLN 100 -13.509 -7.121 6.231 770 2HB GLN 100 2HB GLN 100 -12.057 -6.694 7.110 771 1HG GLN 100 2HG GLN 100 -14.837 -5.614 7.781 772 2HG GLN 100 1HG GLN 100 -14.232 -7.139 8.441 773 1HE2 GLN 100 2HE2 GLN 100 -11.681 -6.754 9.204 774 2HE2 GLN 100 1HE2 GLN 100 -11.591 -5.474 10.392 775 H THR 101 H THR 101 -10.496 -5.174 6.305 776 HA THR 101 HA THR 101 -10.146 -3.161 8.287 777 HB THR 101 HB THR 101 -8.089 -4.291 6.346 778 HG1 THR 101 HG1 THR 101 -9.053 -5.942 7.453 779 1HG2 THR 101 1HG2 THR 101 -6.548 -3.838 8.285 780 2HG2 THR 101 2HG2 THR 101 -7.218 -2.370 7.542 781 3HG2 THR 101 3HG2 THR 101 -7.867 -2.969 9.090 782 H VAL 102 H VAL 102 -9.747 -2.967 4.688 783 HA VAL 102 HA VAL 102 -8.792 -0.298 4.557 784 HB VAL 102 HB VAL 102 -10.434 -2.059 2.703 785 1HG1 VAL 102 1HG1 VAL 102 -7.735 -0.729 2.361 786 2HG1 VAL 102 2HG1 VAL 102 -7.970 -2.396 2.941 787 3HG1 VAL 102 3HG1 VAL 102 -8.483 -1.946 1.299 788 1HG2 VAL 102 1HG2 VAL 102 -9.756 0.858 2.224 789 2HG2 VAL 102 2HG2 VAL 102 -11.358 0.102 2.138 790 3HG2 VAL 102 3HG2 VAL 102 -10.150 -0.295 0.927 791 H GLU 103 HN GLU 103 -12.118 -1.539 4.367 792 HA GLU 103 HA GLU 103 -13.310 1.037 4.222 793 1HB GLU 103 2HB GLU 103 -14.481 -1.659 5.069 794 2HB GLU 103 1HB GLU 103 -15.376 -0.186 4.673 795 1HG GLU 103 2HG GLU 103 -14.012 -0.226 2.400 796 2HG GLU 103 1HG GLU 103 -13.588 -1.854 2.830 797 H LYS 104 HN LYS 104 -12.807 -1.119 6.984 798 HA LYS 104 HA LYS 104 -13.905 0.424 9.060 799 1HB LYS 104 2HB LYS 104 -12.967 -1.757 9.511 800 2HB LYS 104 1HB LYS 104 -11.384 -1.257 8.919 801 1HG LYS 104 2HG LYS 104 -11.334 0.442 10.901 802 2HG LYS 104 1HG LYS 104 -12.678 -0.491 11.542 803 1HD LYS 104 1HD LYS 104 -9.867 -1.434 10.766 804 2HD LYS 104 2HD LYS 104 -10.454 -1.190 12.411 805 1HE LYS 104 1HE LYS 104 -11.365 -3.307 10.408 806 2HE LYS 104 2HE LYS 104 -10.430 -3.580 11.887 807 1HZ LYS 104 1HZ LYS 104 -12.728 -4.117 12.183 808 2HZ LYS 104 2HZ LYS 104 -13.197 -2.609 11.741 809 3HZ LYS 104 3HZ LYS 104 -12.343 -2.826 13.138 810 H TYR 105 H TYR 105 -10.545 0.606 7.725 811 HA TYR 105 HA TYR 105 -9.786 2.800 9.400 812 1HB TYR 105 1HB TYR 105 -8.632 1.975 6.704 813 2HB TYR 105 2HB TYR 105 -7.892 2.986 7.955 814 HD1 TYR 105 HD1 TYR 105 -6.483 0.745 6.700 815 HD2 TYR 105 HD2 TYR 105 -8.910 0.920 10.264 816 HE1 TYR 105 HE1 TYR 105 -4.853 -0.679 7.890 817 HE2 TYR 105 HE2 TYR 105 -7.352 -0.624 11.393 818 HH TYR 105 HH TYR 105 -4.256 -1.632 9.953 819 H LEU 106 H LEU 106 -11.042 2.713 6.049 820 HA LEU 106 HA LEU 106 -11.390 5.698 6.150 821 1HB LEU 106 2HB LEU 106 -10.712 3.848 3.826 822 2HB LEU 106 1HB LEU 106 -11.183 5.546 3.653 823 HG LEU 106 HG LEU 106 -8.703 4.502 5.099 824 1HD1 LEU 106 1HD2 LEU 106 -9.602 7.358 4.485 825 2HD1 LEU 106 2HD2 LEU 106 -7.989 6.890 5.066 826 3HD1 LEU 106 3HD2 LEU 106 -9.391 6.643 6.101 827 1HD2 LEU 106 1HD1 LEU 106 -8.582 4.174 2.686 828 2HD2 LEU 106 2HD1 LEU 106 -9.162 5.823 2.390 829 3HD2 LEU 106 3HD1 LEU 106 -7.567 5.567 3.114 830 H ASN 107 H ASN 107 -12.635 3.633 3.583 831 HA ASN 107 HA ASN 107 -15.212 3.118 4.497 832 1HB ASN 107 1HB ASN 107 -15.261 5.718 4.179 833 2HB ASN 107 2HB ASN 107 -15.023 5.390 2.463 834 1HD2 ASN 107 1HD2 ASN 107 -16.755 3.040 2.253 835 2HD2 ASN 107 2HD2 ASN 107 -18.404 3.623 2.519 Start of MODEL 5 1 1H MET 1 1H MET 1 -0.522 -1.879 -10.877 2 2H MET 1 2H MET 1 0.456 -3.017 -11.615 3 3H MET 1 3H MET 1 -0.918 -3.463 -10.786 4 HA MET 1 HA MET 1 -0.986 -1.837 -13.208 5 1HB MET 1 1HB MET 1 -0.251 -4.163 -13.676 6 2HB MET 1 2HB MET 1 -1.647 -4.795 -12.786 7 1HG MET 1 1HG MET 1 -3.173 -3.761 -14.427 8 2HG MET 1 2HG MET 1 -1.790 -3.056 -15.286 9 1HE MET 1 1HE MET 1 -3.198 -5.754 -17.746 10 2HE MET 1 2HE MET 1 -4.156 -4.790 -16.599 11 3HE MET 1 3HE MET 1 -2.823 -4.032 -17.509 12 H GLU 2 HN GLU 2 -2.987 -0.748 -13.282 13 HA GLU 2 HA GLU 2 -5.018 0.016 -12.585 14 1HB GLU 2 2HB GLU 2 -5.458 -2.470 -10.869 15 2HB GLU 2 1HB GLU 2 -6.628 -1.266 -11.361 16 1HG GLU 2 1HG GLU 2 -6.571 -2.030 -13.656 17 2HG GLU 2 2HG GLU 2 -5.202 -3.105 -13.327 18 H ALA 3 H ALA 3 -3.707 -1.896 -9.895 19 HA ALA 3 HA ALA 3 -3.572 0.294 -8.044 20 1HB ALA 3 1HB ALA 3 -2.194 -1.279 -6.698 21 2HB ALA 3 2HB ALA 3 -2.086 -2.378 -8.089 22 3HB ALA 3 3HB ALA 3 -3.650 -2.085 -7.302 23 H GLY 4 H GLY 4 -1.792 1.578 -7.600 24 1HA GLY 4 2HA GLY 4 0.080 2.281 -9.607 25 2HA GLY 4 1HA GLY 4 0.111 2.791 -7.957 26 H ALA 5 H ALA 5 2.368 2.237 -9.547 27 HA ALA 5 HA ALA 5 3.691 0.178 -7.855 28 1HB ALA 5 1HB ALA 5 3.626 -0.708 -10.138 29 2HB ALA 5 2HB ALA 5 4.281 0.826 -10.772 30 3HB ALA 5 3HB ALA 5 5.269 -0.190 -9.696 31 H VAL 6 H VAL 6 4.924 1.365 -6.515 32 HA VAL 6 HA VAL 6 5.966 4.015 -7.425 33 HB VAL 6 HB VAL 6 5.680 4.663 -4.917 34 1HG1 VAL 6 1HG1 VAL 6 4.871 2.431 -4.163 35 2HG1 VAL 6 2HG1 VAL 6 3.399 2.662 -5.119 36 3HG1 VAL 6 3HG1 VAL 6 3.776 3.754 -3.765 37 1HG2 VAL 6 1HG2 VAL 6 3.318 4.568 -6.808 38 2HG2 VAL 6 2HG2 VAL 6 3.453 5.567 -5.341 39 3HG2 VAL 6 3HG2 VAL 6 4.565 5.838 -6.696 40 H ASN 7 H ASN 7 7.647 4.812 -6.099 41 HA ASN 7 HA ASN 7 9.418 2.852 -4.844 42 1HB ASN 7 2HB ASN 7 10.108 4.580 -7.285 43 2HB ASN 7 1HB ASN 7 11.335 3.811 -6.287 44 1HD2 ASN 7 1HD2 ASN 7 11.000 1.384 -5.909 45 2HD2 ASN 7 2HD2 ASN 7 10.552 0.463 -7.340 46 H ASP 8 HN ASP 8 11.302 4.161 -3.988 47 HA ASP 8 HA ASP 8 10.669 5.915 -2.108 48 1HB ASP 8 1HB ASP 8 13.047 4.985 -3.077 49 2HB ASP 8 2HB ASP 8 13.209 6.660 -3.576 50 H ASP 9 HN ASP 9 11.718 7.186 -5.263 51 HA ASP 9 HA ASP 9 11.140 9.900 -4.686 52 1HB ASP 9 2HB ASP 9 11.296 8.504 -7.403 53 2HB ASP 9 1HB ASP 9 11.490 10.228 -7.075 54 H THR 10 H THR 10 9.304 7.570 -6.778 55 HA THR 10 HA THR 10 7.257 9.414 -7.456 56 HB THR 10 HB THR 10 6.077 7.259 -8.161 57 HG1 THR 10 HG1 THR 10 7.594 5.454 -8.143 58 1HG2 THR 10 1HG2 THR 10 7.688 6.806 -9.975 59 2HG2 THR 10 2HG2 THR 10 7.566 8.550 -9.685 60 3HG2 THR 10 3HG2 THR 10 8.971 7.644 -9.084 61 H PHE 11 H PHE 11 7.576 7.174 -4.760 62 HA PHE 11 HA PHE 11 5.071 7.007 -3.625 63 1HB PHE 11 1HB PHE 11 7.122 6.007 -2.738 64 2HB PHE 11 2HB PHE 11 7.769 7.565 -2.341 65 HD1 PHE 11 HD1 PHE 11 7.047 8.825 -0.383 66 HD2 PHE 11 HD2 PHE 11 5.373 4.954 -1.301 67 HE1 PHE 11 HE1 PHE 11 6.116 8.686 1.900 68 HE2 PHE 11 HE2 PHE 11 4.475 4.810 1.011 69 HZ PHE 11 HZ PHE 11 4.891 6.652 2.622 70 H LYS 12 HN LYS 12 7.421 9.613 -3.265 71 HA LYS 12 HA LYS 12 5.900 11.293 -1.553 72 1HB LYS 12 2HB LYS 12 7.815 12.221 -3.737 73 2HB LYS 12 1HB LYS 12 7.264 13.144 -2.338 74 1HG LYS 12 2HG LYS 12 8.225 11.022 -0.978 75 2HG LYS 12 1HG LYS 12 9.133 10.762 -2.471 76 1HD LYS 12 1HD LYS 12 10.577 12.015 -1.116 77 2HD LYS 12 2HD LYS 12 9.914 13.210 -2.244 78 1HE LYS 12 2HE LYS 12 8.260 13.902 -0.460 79 2HE LYS 12 1HE LYS 12 8.949 12.686 0.625 80 1HZ LYS 12 1HZ LYS 12 10.391 14.978 -0.507 81 2HZ LYS 12 2HZ LYS 12 11.028 13.849 0.511 82 3HZ LYS 12 3HZ LYS 12 9.829 14.850 1.036 83 H ASN 13 H ASN 13 6.027 11.379 -5.128 84 HA ASN 13 HA ASN 13 4.014 13.422 -5.473 85 1HB ASN 13 2HB ASN 13 5.364 11.338 -7.185 86 2HB ASN 13 1HB ASN 13 3.824 11.952 -7.750 87 1HD2 ASN 13 2HD2 ASN 13 5.885 14.213 -5.858 88 2HD2 ASN 13 1HD2 ASN 13 6.429 15.085 -7.275 89 H VAL 14 H VAL 14 3.800 9.910 -5.686 90 HA VAL 14 HA VAL 14 1.004 9.923 -6.380 91 HB VAL 14 HB VAL 14 3.031 7.780 -5.645 92 1HG1 VAL 14 1HG1 VAL 14 3.536 9.043 -7.745 93 2HG1 VAL 14 2HG1 VAL 14 3.065 7.379 -8.098 94 3HG1 VAL 14 3HG1 VAL 14 1.901 8.695 -8.333 95 1HG2 VAL 14 1HG2 VAL 14 0.243 7.467 -6.800 96 2HG2 VAL 14 2HG2 VAL 14 0.858 6.796 -5.261 97 3HG2 VAL 14 3HG2 VAL 14 1.486 6.197 -6.806 98 H VAL 15 H VAL 15 2.735 9.301 -3.321 99 HA VAL 15 HA VAL 15 0.195 8.517 -2.003 100 HB VAL 15 HB VAL 15 3.027 8.360 -0.899 101 1HG1 VAL 15 1HG1 VAL 15 1.208 8.353 0.775 102 2HG1 VAL 15 2HG1 VAL 15 0.470 6.967 -0.052 103 3HG1 VAL 15 3HG1 VAL 15 2.081 6.824 0.687 104 1HG2 VAL 15 1HG2 VAL 15 2.938 5.970 -1.488 105 2HG2 VAL 15 2HG2 VAL 15 1.409 6.227 -2.353 106 3HG2 VAL 15 3HG2 VAL 15 2.904 6.970 -2.935 107 H LEU 16 H LEU 16 3.063 10.534 -1.141 108 HA LEU 16 HA LEU 16 1.693 11.836 1.016 109 1HB LEU 16 2HB LEU 16 4.159 12.663 -0.579 110 2HB LEU 16 1HB LEU 16 3.559 13.521 0.796 111 HG LEU 16 HG LEU 16 4.564 10.624 0.716 112 1HD1 LEU 16 1HD2 LEU 16 5.782 13.116 1.985 113 2HD1 LEU 16 2HD2 LEU 16 6.483 11.484 1.982 114 3HD1 LEU 16 3HD2 LEU 16 6.319 12.382 0.464 115 1HD2 LEU 16 1HD1 LEU 16 3.594 12.294 3.078 116 2HD2 LEU 16 2HD1 LEU 16 2.925 10.742 2.511 117 3HD2 LEU 16 3HD1 LEU 16 4.535 10.796 3.232 118 H GLU 17 HN GLU 17 2.681 13.198 -2.108 119 HA GLU 17 HA GLU 17 0.948 15.515 -1.809 120 1HB GLU 17 1HB GLU 17 2.418 14.469 -4.247 121 2HB GLU 17 2HB GLU 17 1.788 16.101 -4.046 122 1HG GLU 17 1HG GLU 17 3.391 16.599 -2.300 123 2HG GLU 17 2HG GLU 17 3.951 14.927 -2.220 124 H SER 18 H SER 18 -0.682 13.235 -1.563 125 HA SER 18 HA SER 18 -2.171 12.939 -4.132 126 1HB SER 18 2HB SER 18 -1.641 10.891 -2.813 127 2HB SER 18 1HB SER 18 -2.574 11.541 -1.451 128 HG SER 18 HG SER 18 -4.135 10.455 -2.493 129 H SER 19 H SER 19 -4.624 12.581 -3.185 130 HA SER 19 HA SER 19 -5.577 15.034 -1.772 131 1HB SER 19 1HB SER 19 -7.459 15.050 -3.511 132 2HB SER 19 2HB SER 19 -5.880 15.621 -4.081 133 HG SER 19 HG SER 19 -5.532 13.671 -5.086 134 H VAL 20 H VAL 20 -6.860 12.234 -3.506 135 HA VAL 20 HA VAL 20 -8.627 11.468 -1.335 136 HB VAL 20 HB VAL 20 -8.618 9.237 -2.864 137 1HG1 VAL 20 1HG1 VAL 20 -7.938 11.367 -4.929 138 2HG1 VAL 20 2HG1 VAL 20 -8.277 9.660 -5.199 139 3HG1 VAL 20 3HG1 VAL 20 -6.791 10.122 -4.363 140 1HG2 VAL 20 1HG2 VAL 20 -10.107 11.792 -3.454 141 2HG2 VAL 20 2HG2 VAL 20 -10.495 10.215 -4.161 142 3HG2 VAL 20 3HG2 VAL 20 -10.598 10.428 -2.412 143 HA PRO 21 HA PRO 21 -5.966 8.843 0.965 144 1HB PRO 21 1HB PRO 21 -8.037 6.660 0.729 145 2HB PRO 21 2HB PRO 21 -7.198 7.216 2.195 146 1HG PRO 21 1HG PRO 21 -9.719 7.978 1.636 147 2HG PRO 21 2HG PRO 21 -8.576 9.166 2.323 148 1HD PRO 21 1HD PRO 21 -9.556 8.975 -0.514 149 2HD PRO 21 2HD PRO 21 -9.093 10.384 0.454 150 H VAL 22 H VAL 22 -4.770 6.844 0.986 151 HA VAL 22 HA VAL 22 -4.445 5.532 -1.636 152 HB VAL 22 HB VAL 22 -2.163 6.763 -0.056 153 1HG1 VAL 22 1HG2 VAL 22 -0.883 6.408 -2.028 154 2HG1 VAL 22 2HG2 VAL 22 -2.294 5.893 -2.943 155 3HG1 VAL 22 3HG2 VAL 22 -1.689 4.878 -1.623 156 1HG2 VAL 22 1HG1 VAL 22 -2.061 8.530 -1.846 157 2HG2 VAL 22 2HG1 VAL 22 -3.428 8.700 -0.751 158 3HG2 VAL 22 3HG1 VAL 22 -3.671 8.028 -2.379 159 H LEU 23 H LEU 23 -3.685 3.464 -1.471 160 HA LEU 23 HA LEU 23 -3.079 2.350 1.256 161 1HB LEU 23 2HB LEU 23 -5.208 1.539 0.386 162 2HB LEU 23 1HB LEU 23 -4.465 0.937 -1.074 163 HG LEU 23 HG LEU 23 -3.555 0.019 1.671 164 1HD1 LEU 23 1HD2 LEU 23 -2.042 -0.736 -0.131 165 2HD1 LEU 23 2HD2 LEU 23 -3.425 -1.220 -1.132 166 3HD1 LEU 23 3HD2 LEU 23 -3.025 -2.108 0.344 167 1HD2 LEU 23 1HD1 LEU 23 -5.957 -0.381 1.581 168 2HD2 LEU 23 2HD1 LEU 23 -5.089 -1.911 1.449 169 3HD2 LEU 23 3HD1 LEU 23 -5.788 -1.181 -0.006 170 H VAL 24 H VAL 24 -0.905 1.878 1.314 171 HA VAL 24 HA VAL 24 0.498 1.350 -1.299 172 HB VAL 24 HB VAL 24 1.582 2.522 1.276 173 1HG1 VAL 24 1HG1 VAL 24 2.872 2.073 -1.449 174 2HG1 VAL 24 2HG1 VAL 24 3.610 2.961 -0.106 175 3HG1 VAL 24 3HG1 VAL 24 3.292 1.233 0.056 176 1HG2 VAL 24 1HG2 VAL 24 0.095 4.135 0.033 177 2HG2 VAL 24 2HG2 VAL 24 1.097 3.900 -1.407 178 3HG2 VAL 24 3HG2 VAL 24 1.796 4.614 0.046 179 H ASP 25 HN ASP 25 0.952 -0.761 -1.562 180 HA ASP 25 HA ASP 25 1.288 -2.467 0.872 181 1HB ASP 25 2HB ASP 25 -0.114 -3.422 -0.833 182 2HB ASP 25 1HB ASP 25 1.113 -3.119 -2.060 183 H PHE 26 H PHE 26 3.329 -2.429 1.779 184 HA PHE 26 HA PHE 26 5.642 -1.726 0.085 185 1HB PHE 26 2HB PHE 26 5.331 -2.469 3.008 186 2HB PHE 26 1HB PHE 26 6.880 -2.311 2.213 187 HD1 PHE 26 HD1 PHE 26 3.684 -0.307 2.665 188 HD2 PHE 26 HD2 PHE 26 7.966 -0.263 2.135 189 HE1 PHE 26 HE1 PHE 26 3.691 2.159 2.842 190 HE2 PHE 26 HE2 PHE 26 7.975 2.186 2.416 191 HZ PHE 26 HZ PHE 26 5.840 3.416 2.778 192 H TRP 27 H TRP 27 6.426 -3.242 -1.254 193 HA TRP 27 HA TRP 27 6.277 -6.141 -0.481 194 1HB TRP 27 1HB TRP 27 5.706 -6.729 -2.675 195 2HB TRP 27 2HB TRP 27 4.590 -5.462 -2.226 196 HD1 TRP 27 HD1 TRP 27 5.392 -2.969 -3.264 197 HE1 TRP 27 HE1 TRP 27 6.640 -2.352 -5.458 198 HE3 TRP 27 HE3 TRP 27 6.987 -7.639 -4.640 199 HZ2 TRP 27 HZ2 TRP 27 8.339 -3.715 -7.358 200 HZ3 TRP 27 HZ3 TRP 27 8.260 -7.943 -6.726 201 HH2 TRP 27 HH2 TRP 27 8.941 -5.997 -8.089 202 H ALA 28 H ALA 28 7.683 -7.276 -2.365 203 HA ALA 28 HA ALA 28 9.882 -5.881 -3.450 204 1HB ALA 28 1HB ALA 28 11.740 -6.975 -2.235 205 2HB ALA 28 2HB ALA 28 10.808 -5.964 -1.120 206 3HB ALA 28 3HB ALA 28 10.587 -7.734 -1.128 207 HA PRO 29 HA PRO 29 9.484 -9.584 -5.924 208 1HB PRO 29 1HB PRO 29 12.123 -10.097 -6.677 209 2HB PRO 29 2HB PRO 29 10.984 -8.943 -7.451 210 1HG PRO 29 2HG PRO 29 13.083 -8.342 -5.346 211 2HG PRO 29 1HG PRO 29 12.772 -7.447 -6.867 212 1HD PRO 29 2HD PRO 29 11.706 -6.470 -4.611 213 2HD PRO 29 1HD PRO 29 10.664 -6.653 -6.011 214 H TRP 30 H TRP 30 11.919 -9.715 -3.286 215 HA TRP 30 HA TRP 30 11.850 -12.651 -3.260 216 1HB TRP 30 2HB TRP 30 13.144 -12.351 -1.158 217 2HB TRP 30 1HB TRP 30 13.860 -11.640 -2.595 218 HD1 TRP 30 HD1 TRP 30 14.545 -9.203 -2.504 219 HE1 TRP 30 HE1 TRP 30 14.420 -7.302 -0.789 220 HE3 TRP 30 HE3 TRP 30 11.417 -11.400 0.922 221 HZ2 TRP 30 HZ2 TRP 30 13.091 -6.778 1.707 222 HZ3 TRP 30 HZ3 TRP 30 10.722 -10.156 2.938 223 HH2 TRP 30 HH2 TRP 30 11.501 -7.833 3.316 224 H CYS 31 H CYS 31 9.531 -10.355 -2.344 225 HA CYS 31 HA CYS 31 8.764 -11.623 0.204 226 1HB CYS 31 1HB CYS 31 8.510 -9.207 -0.087 227 2HB CYS 31 2HB CYS 31 7.459 -9.478 -1.460 228 H GLY 32 H GLY 32 8.421 -13.780 -0.559 229 1HA GLY 32 1HA GLY 32 6.868 -14.897 -2.446 230 2HA GLY 32 2HA GLY 32 6.813 -15.478 -0.781 231 HA PRO 33 HA PRO 33 2.572 -14.324 -0.206 232 1HB PRO 33 2HB PRO 33 3.390 -11.912 1.421 233 2HB PRO 33 1HB PRO 33 2.076 -13.074 1.768 234 1HG PRO 33 2HG PRO 33 4.456 -13.282 3.051 235 2HG PRO 33 1HG PRO 33 3.637 -14.729 2.403 236 1HD PRO 33 1HD PRO 33 5.958 -13.157 1.223 237 2HD PRO 33 2HD PRO 33 5.736 -14.929 1.282 238 H CYS 34 H CYS 34 4.604 -11.449 -0.678 239 HA CYS 34 HA CYS 34 2.646 -9.609 -1.577 240 1HB CYS 34 2HB CYS 34 5.515 -9.635 -2.449 241 2HB CYS 34 1HB CYS 34 4.314 -8.367 -2.565 242 H ARG 35 HN ARG 35 4.712 -11.998 -3.362 243 HA ARG 35 HA ARG 35 4.046 -11.268 -5.995 244 1HB ARG 35 2HB ARG 35 4.529 -14.069 -4.883 245 2HB ARG 35 1HB ARG 35 4.604 -13.580 -6.568 246 1HG ARG 35 1HG ARG 35 6.539 -12.139 -6.127 247 2HG ARG 35 2HG ARG 35 6.473 -12.547 -4.401 248 1HD ARG 35 2HD ARG 35 6.748 -14.952 -4.954 249 2HD ARG 35 1HD ARG 35 6.901 -14.526 -6.677 250 HE ARG 35 HE ARG 35 8.786 -12.976 -5.277 251 1HH1 ARG 35 2HH2 ARG 35 8.210 -16.407 -5.907 252 2HH1 ARG 35 1HH2 ARG 35 9.897 -16.841 -5.802 253 1HH2 ARG 35 2HH1 ARG 35 10.885 -13.476 -5.174 254 2HH2 ARG 35 1HH1 ARG 35 11.502 -15.113 -5.363 255 H ILE 36 H ILE 36 2.428 -13.625 -3.823 256 HA ILE 36 HA ILE 36 0.380 -14.164 -5.884 257 HB ILE 36 HB ILE 36 -0.467 -15.849 -4.292 258 1HG1 ILE 36 2HG1 ILE 36 1.253 -16.562 -2.492 259 2HG1 ILE 36 1HG1 ILE 36 1.813 -14.902 -2.486 260 1HG2 ILE 36 1HG2 ILE 36 1.239 -16.298 -6.051 261 2HG2 ILE 36 2HG2 ILE 36 2.525 -16.013 -4.859 262 3HG2 ILE 36 3HG2 ILE 36 1.399 -17.368 -4.656 263 1HD1 ILE 36 1HD1 ILE 36 -0.656 -14.275 -1.993 264 2HD1 ILE 36 2HD1 ILE 36 -0.977 -16.006 -1.870 265 3HD1 ILE 36 3HD1 ILE 36 0.142 -15.232 -0.731 266 H ILE 37 H ILE 37 0.686 -12.039 -3.139 267 HA ILE 37 HA ILE 37 -2.179 -11.504 -2.942 268 HB ILE 37 HB ILE 37 0.365 -10.275 -1.830 269 1HG1 ILE 37 2HG1 ILE 37 -2.095 -11.460 -0.454 270 2HG1 ILE 37 1HG1 ILE 37 -0.671 -12.401 -0.897 271 1HG2 ILE 37 1HG2 ILE 37 -2.434 -9.124 -1.695 272 2HG2 ILE 37 2HG2 ILE 37 -0.877 -8.340 -2.108 273 3HG2 ILE 37 3HG2 ILE 37 -1.213 -8.779 -0.454 274 1HD1 ILE 37 1HD1 ILE 37 -0.757 -10.173 1.154 275 2HD1 ILE 37 2HD1 ILE 37 -0.425 -11.891 1.385 276 3HD1 ILE 37 3HD1 ILE 37 0.745 -10.880 0.515 277 H ALA 38 H ALA 38 0.588 -10.077 -4.643 278 HA ALA 38 HA ALA 38 -0.173 -7.681 -5.500 279 1HB ALA 38 1HB ALA 38 1.166 -8.069 -7.556 280 2HB ALA 38 2HB ALA 38 1.201 -9.797 -7.212 281 3HB ALA 38 3HB ALA 38 1.960 -8.653 -6.090 282 HA PRO 39 HA PRO 39 -2.724 -9.084 -9.350 283 1HB PRO 39 2HB PRO 39 -4.006 -11.622 -8.426 284 2HB PRO 39 1HB PRO 39 -3.348 -11.224 -10.035 285 1HG PRO 39 2HG PRO 39 -2.024 -12.934 -8.366 286 2HG PRO 39 1HG PRO 39 -1.118 -11.716 -9.318 287 1HD PRO 39 1HD PRO 39 -2.105 -11.459 -6.459 288 2HD PRO 39 2HD PRO 39 -0.438 -11.252 -7.062 289 H VAL 40 H VAL 40 -3.615 -10.046 -6.064 290 HA VAL 40 HA VAL 40 -6.398 -9.294 -6.294 291 HB VAL 40 HB VAL 40 -4.898 -9.625 -3.683 292 1HG1 VAL 40 1HG1 VAL 40 -7.678 -10.441 -4.639 293 2HG1 VAL 40 2HG1 VAL 40 -7.070 -10.487 -2.971 294 3HG1 VAL 40 3HG1 VAL 40 -7.330 -8.925 -3.789 295 1HG2 VAL 40 1HG2 VAL 40 -5.465 -12.071 -3.805 296 2HG2 VAL 40 2HG2 VAL 40 -5.841 -11.868 -5.527 297 3HG2 VAL 40 3HG2 VAL 40 -4.187 -11.620 -4.927 298 H VAL 41 H VAL 41 -3.347 -7.862 -5.037 299 HA VAL 41 HA VAL 41 -4.445 -5.407 -4.088 300 HB VAL 41 HB VAL 41 -1.740 -5.727 -5.473 301 1HG1 VAL 41 1HG1 VAL 41 -0.781 -6.140 -3.290 302 2HG1 VAL 41 2HG1 VAL 41 -2.367 -5.982 -2.507 303 3HG1 VAL 41 3HG1 VAL 41 -2.038 -7.340 -3.597 304 1HG2 VAL 41 1HG2 VAL 41 -1.102 -3.851 -3.953 305 2HG2 VAL 41 2HG2 VAL 41 -2.332 -3.375 -5.128 306 3HG2 VAL 41 3HG2 VAL 41 -2.781 -3.722 -3.435 307 H ASP 42 HN ASP 42 -3.324 -6.377 -7.341 308 HA ASP 42 HA ASP 42 -3.785 -3.944 -8.706 309 1HB ASP 42 1HB ASP 42 -3.960 -6.810 -9.733 310 2HB ASP 42 2HB ASP 42 -4.005 -5.388 -10.747 311 H GLU 43 HN GLU 43 -6.049 -6.812 -8.678 312 HA GLU 43 HA GLU 43 -8.113 -5.354 -9.948 313 1HB GLU 43 1HB GLU 43 -9.452 -7.209 -9.599 314 2HB GLU 43 2HB GLU 43 -7.825 -7.883 -9.618 315 1HG GLU 43 2HG GLU 43 -7.953 -7.716 -7.017 316 2HG GLU 43 1HG GLU 43 -9.675 -7.418 -7.238 317 H ILE 44 H ILE 44 -7.379 -5.685 -6.479 318 HA ILE 44 HA ILE 44 -9.686 -4.559 -5.374 319 HB ILE 44 HB ILE 44 -6.773 -4.677 -4.587 320 1HG1 ILE 44 2HG1 ILE 44 -8.516 -6.605 -4.443 321 2HG1 ILE 44 1HG1 ILE 44 -7.485 -6.279 -3.049 322 1HG2 ILE 44 1HG2 ILE 44 -7.312 -2.559 -3.657 323 2HG2 ILE 44 2HG2 ILE 44 -8.857 -3.154 -3.017 324 3HG2 ILE 44 3HG2 ILE 44 -7.321 -3.760 -2.362 325 1HD1 ILE 44 1HD1 ILE 44 -10.346 -5.268 -3.318 326 2HD1 ILE 44 2HD1 ILE 44 -9.298 -5.166 -1.887 327 3HD1 ILE 44 3HD1 ILE 44 -9.858 -6.742 -2.463 328 H ALA 45 H ALA 45 -6.976 -2.918 -7.034 329 HA ALA 45 HA ALA 45 -7.605 -0.261 -6.229 330 1HB ALA 45 1HB ALA 45 -6.566 -1.161 -8.947 331 2HB ALA 45 2HB ALA 45 -6.329 0.415 -8.170 332 3HB ALA 45 3HB ALA 45 -5.561 -1.038 -7.494 333 H GLY 46 H GLY 46 -8.998 -2.380 -8.741 334 1HA GLY 46 1HA GLY 46 -10.589 -0.297 -10.018 335 2HA GLY 46 2HA GLY 46 -10.747 -2.055 -10.206 336 H GLU 47 HN GLU 47 -11.137 -2.988 -7.723 337 HA GLU 47 HA GLU 47 -13.885 -2.616 -7.281 338 1HB GLU 47 2HB GLU 47 -11.740 -3.638 -5.375 339 2HB GLU 47 1HB GLU 47 -13.476 -3.766 -5.104 340 1HG GLU 47 1HG GLU 47 -13.722 -5.064 -7.220 341 2HG GLU 47 2HG GLU 47 -11.975 -4.993 -7.473 342 H TYR 48 H TYR 48 -11.200 -1.078 -5.521 343 HA TYR 48 HA TYR 48 -13.192 0.791 -4.218 344 1HB TYR 48 1HB TYR 48 -10.474 -0.157 -3.246 345 2HB TYR 48 2HB TYR 48 -11.532 0.983 -2.413 346 HD1 TYR 48 HD1 TYR 48 -13.773 0.273 -1.549 347 HD2 TYR 48 HD2 TYR 48 -10.996 -2.558 -3.226 348 HE1 TYR 48 HE1 TYR 48 -15.253 -1.594 -0.868 349 HE2 TYR 48 HE2 TYR 48 -12.446 -4.423 -2.489 350 HH TYR 48 HH TYR 48 -14.482 -5.005 -1.605 351 H LYS 49 HN LYS 49 -12.247 1.229 -6.841 352 HA LYS 49 HA LYS 49 -10.168 3.076 -7.060 353 1HB LYS 49 1HB LYS 49 -11.316 3.781 -9.140 354 2HB LYS 49 2HB LYS 49 -11.272 2.025 -8.970 355 1HG LYS 49 2HG LYS 49 -13.639 2.061 -8.134 356 2HG LYS 49 1HG LYS 49 -13.668 3.818 -8.365 357 1HD LYS 49 1HD LYS 49 -13.290 3.522 -10.787 358 2HD LYS 49 2HD LYS 49 -13.077 1.776 -10.557 359 1HE LYS 49 1HE LYS 49 -15.324 2.260 -11.419 360 2HE LYS 49 2HE LYS 49 -15.400 1.532 -9.807 361 1HZ LYS 49 1HZ LYS 49 -15.750 3.706 -8.899 362 2HZ LYS 49 2HZ LYS 49 -16.886 3.387 -10.046 363 3HZ LYS 49 3HZ LYS 49 -15.635 4.404 -10.388 364 H ASP 50 HN ASP 50 -10.277 5.346 -7.460 365 HA ASP 50 HA ASP 50 -10.753 7.520 -7.131 366 1HB ASP 50 2HB ASP 50 -13.117 7.034 -7.720 367 2HB ASP 50 1HB ASP 50 -13.494 6.673 -6.043 368 H LYS 51 HN LYS 51 -12.236 5.713 -4.491 369 HA LYS 51 HA LYS 51 -11.481 7.801 -2.566 370 1HB LYS 51 1HB LYS 51 -12.387 5.006 -1.861 371 2HB LYS 51 2HB LYS 51 -12.518 6.481 -0.892 372 1HG LYS 51 2HG LYS 51 -14.041 7.358 -2.815 373 2HG LYS 51 1HG LYS 51 -14.110 5.677 -3.364 374 1HD LYS 51 2HD LYS 51 -15.035 6.784 -0.674 375 2HD LYS 51 1HD LYS 51 -16.031 6.176 -1.998 376 1HE LYS 51 1HE LYS 51 -16.063 4.422 -0.453 377 2HE LYS 51 2HE LYS 51 -14.857 3.884 -1.630 378 1HZ LYS 51 1HZ LYS 51 -14.282 5.228 0.929 379 2HZ LYS 51 2HZ LYS 51 -13.166 4.575 -0.088 380 3HZ LYS 51 3HZ LYS 51 -14.223 3.605 0.716 381 H LEU 52 H LEU 52 -10.194 4.670 -3.477 382 HA LEU 52 HA LEU 52 -7.987 4.973 -1.456 383 1HB LEU 52 1HB LEU 52 -9.809 3.218 -0.989 384 2HB LEU 52 2HB LEU 52 -9.219 2.373 -2.421 385 HG LEU 52 HG LEU 52 -6.869 2.528 -1.243 386 1HD1 LEU 52 1HD1 LEU 52 -7.596 4.106 0.566 387 2HD1 LEU 52 2HD1 LEU 52 -8.798 2.912 1.095 388 3HD1 LEU 52 3HD1 LEU 52 -7.070 2.565 1.257 389 1HD2 LEU 52 1HD2 LEU 52 -9.183 0.781 -0.257 390 2HD2 LEU 52 2HD2 LEU 52 -7.476 0.443 0.059 391 3HD2 LEU 52 3HD2 LEU 52 -8.081 0.426 -1.606 392 H LYS 53 HN LYS 53 -6.248 5.683 -2.726 393 HA LYS 53 HA LYS 53 -5.985 4.613 -5.449 394 1HB LYS 53 1HB LYS 53 -5.538 6.994 -4.588 395 2HB LYS 53 2HB LYS 53 -4.034 6.389 -3.960 396 1HG LYS 53 2HG LYS 53 -4.981 6.237 -6.866 397 2HG LYS 53 1HG LYS 53 -3.866 7.443 -6.210 398 1HD LYS 53 2HD LYS 53 -2.246 5.688 -5.623 399 2HD LYS 53 1HD LYS 53 -3.301 4.440 -6.318 400 1HE LYS 53 1HE LYS 53 -2.157 6.792 -7.889 401 2HE LYS 53 2HE LYS 53 -1.451 5.170 -7.847 402 1HZ LYS 53 1HZ LYS 53 -3.485 4.309 -8.750 403 2HZ LYS 53 2HZ LYS 53 -2.830 5.446 -9.745 404 3HZ LYS 53 3HZ LYS 53 -4.140 5.821 -8.821 405 H CYS 54 H CYS 54 -5.735 2.435 -5.121 406 HA CYS 54 HA CYS 54 -3.977 1.300 -3.123 407 1HB CYS 54 1HB CYS 54 -6.010 0.143 -3.943 408 2HB CYS 54 2HB CYS 54 -5.306 0.113 -5.580 409 HG CYS 54 HG CYS 54 -4.894 -2.209 -4.942 410 H VAL 55 H VAL 55 -1.793 0.784 -3.298 411 HA VAL 55 HA VAL 55 -0.615 0.451 -5.957 412 HB VAL 55 HB VAL 55 1.028 2.137 -5.796 413 1HG1 VAL 55 1HG2 VAL 55 0.192 2.689 -3.008 414 2HG1 VAL 55 2HG2 VAL 55 1.741 1.947 -3.533 415 3HG1 VAL 55 3HG2 VAL 55 1.388 3.628 -3.943 416 1HG2 VAL 55 1HG1 VAL 55 -1.237 3.237 -6.296 417 2HG2 VAL 55 2HG1 VAL 55 -0.063 4.310 -5.538 418 3HG2 VAL 55 3HG1 VAL 55 -1.353 3.604 -4.562 419 H LYS 56 HN LYS 56 1.805 0.050 -5.747 420 HA LYS 56 HA LYS 56 2.507 -1.526 -3.320 421 1HB LYS 56 2HB LYS 56 2.497 -2.134 -6.251 422 2HB LYS 56 1HB LYS 56 3.800 -2.827 -5.284 423 1HG LYS 56 1HG LYS 56 2.319 -3.944 -3.807 424 2HG LYS 56 2HG LYS 56 0.904 -3.097 -4.458 425 1HD LYS 56 1HD LYS 56 2.619 -5.059 -6.053 426 2HD LYS 56 2HD LYS 56 1.164 -5.506 -5.147 427 1HE LYS 56 1HE LYS 56 -0.149 -3.808 -6.499 428 2HE LYS 56 2HE LYS 56 1.288 -3.566 -7.505 429 1HZ LYS 56 1HZ LYS 56 -0.187 -5.122 -8.471 430 2HZ LYS 56 2HZ LYS 56 1.200 -5.902 -8.043 431 3HZ LYS 56 3HZ LYS 56 -0.176 -6.087 -7.146 432 H LEU 57 H LEU 57 4.364 -0.869 -2.373 433 HA LEU 57 HA LEU 57 6.292 0.869 -3.859 434 1HB LEU 57 1HB LEU 57 5.240 1.947 -1.991 435 2HB LEU 57 2HB LEU 57 5.703 0.619 -0.888 436 HG LEU 57 HG LEU 57 6.881 2.678 -0.546 437 1HD1 LEU 57 1HD1 LEU 57 8.192 2.145 -3.220 438 2HD1 LEU 57 2HD1 LEU 57 8.603 3.453 -2.089 439 3HD1 LEU 57 3HD1 LEU 57 7.026 3.449 -2.904 440 1HD2 LEU 57 1HD2 LEU 57 7.819 0.255 -0.169 441 2HD2 LEU 57 2HD2 LEU 57 8.871 1.667 0.020 442 3HD2 LEU 57 3HD2 LEU 57 8.920 0.694 -1.465 443 H ASN 58 H ASN 58 8.130 -0.050 -4.482 444 HA ASN 58 HA ASN 58 8.870 -2.703 -3.467 445 1HB ASN 58 1HB ASN 58 9.288 -2.053 -5.812 446 2HB ASN 58 2HB ASN 58 10.479 -0.872 -5.254 447 1HD2 ASN 58 2HD2 ASN 58 10.279 -3.941 -6.479 448 2HD2 ASN 58 1HD2 ASN 58 11.758 -4.587 -5.791 449 H THR 59 H THR 59 9.631 -2.911 -1.553 450 HA THR 59 HA THR 59 10.636 -0.779 0.095 451 HB THR 59 HB THR 59 10.795 -3.786 0.577 452 HG1 THR 59 HG1 THR 59 8.699 -3.356 0.018 453 1HG2 THR 59 1HG2 THR 59 11.894 -2.291 2.296 454 2HG2 THR 59 2HG2 THR 59 10.320 -1.482 2.508 455 3HG2 THR 59 3HG2 THR 59 10.503 -3.194 2.923 456 H ASP 60 HN ASP 60 12.151 -3.196 -1.935 457 HA ASP 60 HA ASP 60 14.763 -3.227 -0.680 458 1HB ASP 60 1HB ASP 60 13.444 -4.987 -2.167 459 2HB ASP 60 2HB ASP 60 14.119 -4.088 -3.523 460 H GLU 61 HN GLU 61 13.158 -1.713 -3.384 461 HA GLU 61 HA GLU 61 15.414 -0.179 -4.383 462 1HB GLU 61 1HB GLU 61 13.210 -1.152 -5.513 463 2HB GLU 61 2HB GLU 61 12.496 0.353 -4.969 464 1HG GLU 61 2HG GLU 61 13.229 0.670 -7.255 465 2HG GLU 61 1HG GLU 61 14.294 1.620 -6.213 466 H SER 62 H SER 62 12.754 0.288 -2.184 467 HA SER 62 HA SER 62 13.403 3.168 -1.788 468 1HB SER 62 1HB SER 62 10.706 1.916 -1.189 469 2HB SER 62 2HB SER 62 11.202 3.599 -1.430 470 HG SER 62 HG SER 62 11.054 1.447 -3.272 471 HA PRO 63 HA PRO 63 14.127 0.577 2.158 472 1HB PRO 63 1HB PRO 63 16.785 1.016 2.491 473 2HB PRO 63 2HB PRO 63 16.165 -0.241 1.377 474 1HG PRO 63 2HG PRO 63 16.961 2.610 0.648 475 2HG PRO 63 1HG PRO 63 17.540 1.118 -0.099 476 1HD PRO 63 1HD PRO 63 15.495 2.398 -1.227 477 2HD PRO 63 2HD PRO 63 15.370 0.625 -1.039 478 H ASN 64 H ASN 64 15.140 3.674 0.919 479 HA ASN 64 HA ASN 64 15.671 5.036 3.400 480 1HB ASN 64 1HB ASN 64 14.446 6.591 1.122 481 2HB ASN 64 2HB ASN 64 15.645 7.057 2.297 482 1HD2 ASN 64 1HD2 ASN 64 15.050 5.240 -0.665 483 2HD2 ASN 64 2HD2 ASN 64 16.747 5.108 -1.153 484 H VAL 65 H VAL 65 12.749 5.266 1.398 485 HA VAL 65 HA VAL 65 11.051 6.386 3.356 486 HB VAL 65 HB VAL 65 10.588 4.677 0.886 487 1HG1 VAL 65 1HG2 VAL 65 8.607 4.371 2.363 488 2HG1 VAL 65 2HG2 VAL 65 8.237 5.324 0.924 489 3HG1 VAL 65 3HG2 VAL 65 8.455 6.136 2.488 490 1HG2 VAL 65 1HG1 VAL 65 11.582 6.996 0.712 491 2HG2 VAL 65 2HG1 VAL 65 10.165 7.634 1.539 492 3HG2 VAL 65 3HG1 VAL 65 9.990 6.876 -0.061 493 H ALA 66 H ALA 66 11.592 2.971 2.514 494 HA ALA 66 HA ALA 66 9.896 1.766 4.338 495 1HB ALA 66 1HB ALA 66 11.377 0.603 2.645 496 2HB ALA 66 2HB ALA 66 12.729 0.813 3.785 497 3HB ALA 66 3HB ALA 66 11.362 -0.180 4.234 498 H SER 67 H SER 67 13.240 2.930 5.004 499 HA SER 67 HA SER 67 13.271 2.136 7.758 500 1HB SER 67 2HB SER 67 14.879 4.314 6.343 501 2HB SER 67 1HB SER 67 15.232 3.598 7.925 502 HG SER 67 HG SER 67 15.185 2.266 5.414 503 H GLU 68 HN GLU 68 12.504 5.205 6.122 504 HA GLU 68 HA GLU 68 12.097 6.829 8.409 505 1HB GLU 68 1HB GLU 68 10.708 6.862 5.698 506 2HB GLU 68 2HB GLU 68 10.538 8.131 6.905 507 1HG GLU 68 2HG GLU 68 12.798 8.808 6.732 508 2HG GLU 68 1HG GLU 68 13.298 7.326 5.920 509 H TYR 69 H TYR 69 9.756 4.723 6.672 510 HA TYR 69 HA TYR 69 7.635 5.315 8.610 511 1HB TYR 69 2HB TYR 69 7.928 3.499 6.200 512 2HB TYR 69 1HB TYR 69 6.586 3.310 7.314 513 HD1 TYR 69 HD1 TYR 69 5.047 5.278 7.792 514 HD2 TYR 69 HD2 TYR 69 7.990 5.396 4.659 515 HE1 TYR 69 HE1 TYR 69 4.230 7.514 7.096 516 HE2 TYR 69 HE2 TYR 69 7.198 7.634 3.986 517 HH TYR 69 HH TYR 69 5.803 9.400 4.521 518 H GLY 70 H GLY 70 10.003 2.731 8.203 519 1HA GLY 70 2HA GLY 70 10.848 1.505 10.049 520 2HA GLY 70 1HA GLY 70 9.354 1.765 10.955 521 H ILE 71 H ILE 71 9.910 0.619 7.612 522 HA ILE 71 HA ILE 71 8.024 -1.581 7.906 523 HB ILE 71 HB ILE 71 10.025 -0.977 5.709 524 1HG1 ILE 71 1HG1 ILE 71 8.524 0.970 6.062 525 2HG1 ILE 71 2HG1 ILE 71 8.295 0.160 4.529 526 1HG2 ILE 71 1HG2 ILE 71 7.517 -2.711 5.776 527 2HG2 ILE 71 2HG2 ILE 71 8.386 -2.260 4.294 528 3HG2 ILE 71 3HG2 ILE 71 9.187 -3.245 5.523 529 1HD1 ILE 71 1HD1 ILE 71 6.181 0.871 5.556 530 2HD1 ILE 71 2HD1 ILE 71 6.523 -0.142 6.972 531 3HD1 ILE 71 3HD1 ILE 71 6.217 -0.889 5.380 532 H ARG 72 HN ARG 72 8.925 -2.649 9.705 533 HA ARG 72 HA ARG 72 11.572 -3.733 9.693 534 1HB ARG 72 1HB ARG 72 10.348 -3.316 11.756 535 2HB ARG 72 2HB ARG 72 9.053 -4.415 11.268 536 1HG ARG 72 2HG ARG 72 10.444 -5.446 12.963 537 2HG ARG 72 1HG ARG 72 10.541 -6.355 11.472 538 1HD ARG 72 2HD ARG 72 12.762 -5.160 10.980 539 2HD ARG 72 1HD ARG 72 12.599 -4.369 12.546 540 HE ARG 72 HE ARG 72 13.254 -6.293 13.597 541 1HH1 ARG 72 1HH1 ARG 72 12.347 -7.116 10.254 542 2HH1 ARG 72 2HH1 ARG 72 13.028 -8.715 10.335 543 1HH2 ARG 72 1HH2 ARG 72 14.101 -8.397 13.699 544 2HH2 ARG 72 2HH2 ARG 72 14.013 -9.466 12.326 545 H SER 73 H SER 73 8.595 -4.856 8.201 546 HA SER 73 HA SER 73 9.932 -7.068 6.951 547 1HB SER 73 2HB SER 73 8.173 -8.751 7.777 548 2HB SER 73 1HB SER 73 9.412 -8.285 8.941 549 HG SER 73 HG SER 73 7.899 -6.770 9.803 550 H ILE 74 H ILE 74 8.071 -8.240 5.622 551 HA ILE 74 HA ILE 74 5.912 -6.484 4.818 552 HB ILE 74 HB ILE 74 6.626 -6.713 2.368 553 1HG1 ILE 74 1HG1 ILE 74 9.369 -7.236 3.517 554 2HG1 ILE 74 2HG1 ILE 74 8.357 -8.443 2.697 555 1HG2 ILE 74 1HG2 ILE 74 7.871 -4.668 2.404 556 2HG2 ILE 74 2HG2 ILE 74 8.514 -4.999 4.019 557 3HG2 ILE 74 3HG2 ILE 74 6.794 -4.600 3.796 558 1HD1 ILE 74 1HD1 ILE 74 8.247 -6.895 0.704 559 2HD1 ILE 74 2HD1 ILE 74 9.834 -7.584 1.031 560 3HD1 ILE 74 3HD1 ILE 74 9.511 -5.905 1.474 561 HA PRO 75 HA PRO 75 4.424 -6.993 2.591 562 1HB PRO 75 2HB PRO 75 1.817 -7.765 2.768 563 2HB PRO 75 1HB PRO 75 2.988 -8.342 1.578 564 1HG PRO 75 1HG PRO 75 2.243 -9.640 4.257 565 2HG PRO 75 2HG PRO 75 2.249 -10.444 2.663 566 1HD PRO 75 2HD PRO 75 4.306 -10.608 4.458 567 2HD PRO 75 1HD PRO 75 4.666 -10.487 2.720 568 H THR 76 H THR 76 3.744 -5.202 3.298 569 HA THR 76 HA THR 76 2.309 -4.875 5.871 570 HB THR 76 HB THR 76 4.958 -3.504 5.274 571 HG1 THR 76 HG1 THR 76 5.743 -4.885 6.702 572 1HG2 THR 76 1HG2 THR 76 4.647 -2.514 7.536 573 2HG2 THR 76 2HG2 THR 76 3.367 -1.979 6.428 574 3HG2 THR 76 3HG2 THR 76 3.031 -3.242 7.633 575 H ILE 77 H ILE 77 0.551 -4.019 5.079 576 HA ILE 77 HA ILE 77 0.572 -2.117 2.837 577 HB ILE 77 HB ILE 77 -1.615 -3.548 4.405 578 1HG1 ILE 77 1HG1 ILE 77 -2.250 -4.210 2.049 579 2HG1 ILE 77 2HG1 ILE 77 -0.720 -3.561 1.485 580 1HG2 ILE 77 1HG2 ILE 77 -3.199 -2.340 2.872 581 2HG2 ILE 77 2HG2 ILE 77 -2.445 -1.292 4.064 582 3HG2 ILE 77 3HG2 ILE 77 -1.838 -1.295 2.392 583 1HD1 ILE 77 1HD1 ILE 77 0.513 -5.255 2.755 584 2HD1 ILE 77 2HD1 ILE 77 -0.970 -5.766 3.591 585 3HD1 ILE 77 3HD1 ILE 77 -0.770 -6.061 1.851 586 H MET 78 H MET 78 0.315 0.023 3.165 587 HA MET 78 HA MET 78 -0.183 1.000 5.954 588 1HB MET 78 2HB MET 78 1.531 2.224 3.822 589 2HB MET 78 1HB MET 78 1.159 3.002 5.356 590 1HG MET 78 1HG MET 78 2.725 0.396 5.107 591 2HG MET 78 2HG MET 78 3.410 2.005 5.379 592 1HE MET 78 1HE MET 78 4.034 0.909 8.957 593 2HE MET 78 2HE MET 78 4.653 1.722 7.501 594 3HE MET 78 3HE MET 78 4.344 -0.037 7.486 595 H VAL 79 H VAL 79 -1.319 2.919 6.036 596 HA VAL 79 HA VAL 79 -3.116 3.458 3.677 597 HB VAL 79 HB VAL 79 -3.806 3.406 6.625 598 1HG1 VAL 79 1HG1 VAL 79 -4.787 1.667 4.307 599 2HG1 VAL 79 2HG1 VAL 79 -5.300 1.542 6.005 600 3HG1 VAL 79 3HG1 VAL 79 -3.645 1.137 5.559 601 1HG2 VAL 79 1HG2 VAL 79 -5.053 5.218 5.592 602 2HG2 VAL 79 2HG2 VAL 79 -5.516 4.180 4.228 603 3HG2 VAL 79 3HG2 VAL 79 -6.144 3.862 5.860 604 H PHE 80 H PHE 80 -3.241 5.524 3.067 605 HA PHE 80 HA PHE 80 -2.334 7.641 4.928 606 1HB PHE 80 1HB PHE 80 -1.781 7.500 1.941 607 2HB PHE 80 2HB PHE 80 -1.361 8.828 3.000 608 HD1 PHE 80 HD1 PHE 80 0.833 8.928 3.861 609 HD2 PHE 80 HD2 PHE 80 -0.705 5.158 2.450 610 HE1 PHE 80 HE1 PHE 80 3.052 7.906 4.168 611 HE2 PHE 80 HE2 PHE 80 1.501 4.124 2.869 612 HZ PHE 80 HZ PHE 80 3.304 5.431 3.999 613 H LYS 81 HN LYS 81 -3.533 9.531 4.821 614 HA LYS 81 HA LYS 81 -5.621 9.895 2.822 615 1HB LYS 81 1HB LYS 81 -7.322 10.276 4.773 616 2HB LYS 81 2HB LYS 81 -7.087 8.686 4.059 617 1HG LYS 81 2HG LYS 81 -7.338 8.539 6.439 618 2HG LYS 81 1HG LYS 81 -5.782 7.893 5.917 619 1HD LYS 81 1HD LYS 81 -4.583 9.761 6.756 620 2HD LYS 81 2HD LYS 81 -6.042 10.761 6.907 621 1HE LYS 81 1HE LYS 81 -5.522 8.239 8.525 622 2HE LYS 81 2HE LYS 81 -5.090 9.875 9.059 623 1HZ LYS 81 1HZ LYS 81 -7.176 9.206 9.946 624 2HZ LYS 81 2HZ LYS 81 -7.394 10.472 8.914 625 3HZ LYS 81 3HZ LYS 81 -7.807 8.945 8.448 626 H GLY 82 H GLY 82 -5.931 12.033 2.452 627 1HA GLY 82 2HA GLY 82 -5.334 14.257 2.489 628 2HA GLY 82 1HA GLY 82 -5.267 14.145 4.263 629 H GLY 83 H GLY 83 -3.437 12.324 1.792 630 1HA GLY 83 1HA GLY 83 -1.230 12.281 1.205 631 2HA GLY 83 2HA GLY 83 -0.907 13.728 2.204 632 H LYS 84 HN LYS 84 -1.697 12.932 4.654 633 HA LYS 84 HA LYS 84 0.762 11.593 5.408 634 1HB LYS 84 1HB LYS 84 -1.511 12.650 7.102 635 2HB LYS 84 2HB LYS 84 0.113 12.308 7.673 636 1HG LYS 84 1HG LYS 84 -0.626 14.433 5.560 637 2HG LYS 84 2HG LYS 84 -0.267 14.755 7.210 638 1HD LYS 84 2HD LYS 84 1.668 13.657 5.125 639 2HD LYS 84 1HD LYS 84 1.638 15.274 5.824 640 1HE LYS 84 2HE LYS 84 2.113 14.277 8.090 641 2HE LYS 84 1HE LYS 84 2.304 12.691 7.313 642 1HZ LYS 84 1HZ LYS 84 4.067 13.597 6.007 643 2HZ LYS 84 2HZ LYS 84 4.383 13.768 7.615 644 3HZ LYS 84 3HZ LYS 84 3.905 15.071 6.728 645 H LYS 85 HN LYS 85 0.897 10.023 7.024 646 HA LYS 85 HA LYS 85 -0.492 7.587 6.186 647 1HB LYS 85 2HB LYS 85 1.995 7.926 6.279 648 2HB LYS 85 1HB LYS 85 1.894 8.072 8.013 649 1HG LYS 85 2HG LYS 85 0.659 5.576 6.884 650 2HG LYS 85 1HG LYS 85 2.394 5.737 6.642 651 1HD LYS 85 1HD LYS 85 2.814 6.118 8.983 652 2HD LYS 85 2HD LYS 85 1.085 6.095 9.376 653 1HE LYS 85 1HE LYS 85 1.026 3.692 8.505 654 2HE LYS 85 2HE LYS 85 2.798 3.793 8.389 655 1HZ LYS 85 1HZ LYS 85 2.121 2.833 10.429 656 2HZ LYS 85 2HZ LYS 85 1.153 4.118 10.795 657 3HZ LYS 85 3HZ LYS 85 2.798 4.303 10.756 658 H CYS 86 H CYS 86 -1.359 6.027 7.665 659 HA CYS 86 HA CYS 86 -1.405 6.681 10.558 660 1HB CYS 86 2HB CYS 86 -3.832 6.785 8.803 661 2HB CYS 86 1HB CYS 86 -4.003 5.928 10.343 662 HG CYS 86 HG CYS 86 -2.579 8.860 10.150 663 H GLU 87 HN GLU 87 -3.310 4.338 8.588 664 HA GLU 87 HA GLU 87 -2.766 2.393 10.650 665 1HB GLU 87 2HB GLU 87 -4.044 1.720 8.001 666 2HB GLU 87 1HB GLU 87 -4.306 0.986 9.566 667 1HG GLU 87 2HG GLU 87 -5.215 3.790 8.748 668 2HG GLU 87 1HG GLU 87 -6.219 2.369 8.897 669 H THR 88 H THR 88 -1.921 0.374 10.415 670 HA THR 88 HA THR 88 0.056 -0.220 8.290 671 HB THR 88 HB THR 88 0.449 -0.447 11.318 672 HG1 THR 88 HG1 THR 88 0.613 1.661 10.363 673 1HG2 THR 88 1HG2 THR 88 2.800 -1.067 10.689 674 2HG2 THR 88 2HG2 THR 88 1.613 -2.278 10.175 675 3HG2 THR 88 3HG2 THR 88 2.297 -1.153 8.988 676 H ILE 89 H ILE 89 -0.822 -2.067 7.412 677 HA ILE 89 HA ILE 89 -2.184 -4.040 9.206 678 HB ILE 89 HB ILE 89 -2.880 -3.281 6.336 679 1HG1 ILE 89 2HG1 ILE 89 -4.475 -2.693 8.870 680 2HG1 ILE 89 1HG1 ILE 89 -3.486 -1.493 8.031 681 1HG2 ILE 89 1HG2 ILE 89 -4.846 -4.770 6.742 682 2HG2 ILE 89 2HG2 ILE 89 -4.221 -5.149 8.355 683 3HG2 ILE 89 3HG2 ILE 89 -3.335 -5.655 6.902 684 1HD1 ILE 89 1HD1 ILE 89 -4.801 -1.785 5.965 685 2HD1 ILE 89 2HD1 ILE 89 -5.728 -1.161 7.341 686 3HD1 ILE 89 3HD1 ILE 89 -5.920 -2.849 6.850 687 H ILE 90 H ILE 90 -1.141 -6.004 9.157 688 HA ILE 90 HA ILE 90 1.129 -6.348 7.323 689 HB ILE 90 HB ILE 90 -0.056 -8.172 9.462 690 1HG1 ILE 90 1HG1 ILE 90 2.311 -6.230 9.509 691 2HG1 ILE 90 2HG1 ILE 90 0.784 -6.030 10.377 692 1HG2 ILE 90 1HG2 ILE 90 2.091 -9.391 9.310 693 2HG2 ILE 90 2HG2 ILE 90 2.633 -8.306 8.013 694 3HG2 ILE 90 3HG2 ILE 90 1.275 -9.426 7.764 695 1HD1 ILE 90 1HD1 ILE 90 2.908 -8.116 10.942 696 2HD1 ILE 90 2HD1 ILE 90 1.271 -8.144 11.648 697 3HD1 ILE 90 3HD1 ILE 90 2.365 -6.782 11.963 698 H GLY 91 H GLY 91 1.208 -7.947 5.675 699 1HA GLY 91 1HA GLY 91 -1.375 -8.578 4.434 700 2HA GLY 91 2HA GLY 91 0.202 -8.995 3.801 701 H ALA 92 H ALA 92 0.084 -11.269 3.543 702 HA ALA 92 HA ALA 92 -0.111 -13.445 4.009 703 1HB ALA 92 1HB ALA 92 -0.475 -12.837 6.978 704 2HB ALA 92 2HB ALA 92 0.052 -14.333 6.211 705 3HB ALA 92 3HB ALA 92 1.105 -12.908 6.162 706 H VAL 93 H VAL 93 -2.472 -11.539 5.884 707 HA VAL 93 HA VAL 93 -4.599 -13.457 5.522 708 HB VAL 93 HB VAL 93 -6.031 -11.733 6.491 709 1HG1 VAL 93 1HG2 VAL 93 -5.145 -9.585 7.275 710 2HG1 VAL 93 2HG2 VAL 93 -5.038 -9.673 5.515 711 3HG1 VAL 93 3HG2 VAL 93 -3.586 -9.900 6.506 712 1HG2 VAL 93 1HG1 VAL 93 -4.673 -13.205 7.949 713 2HG2 VAL 93 2HG1 VAL 93 -3.388 -11.979 7.988 714 3HG2 VAL 93 3HG1 VAL 93 -4.978 -11.622 8.685 715 HA PRO 94 HA PRO 94 -5.703 -12.232 1.426 716 1HB PRO 94 1HB PRO 94 -8.602 -12.371 2.211 717 2HB PRO 94 2HB PRO 94 -7.784 -13.173 0.843 718 1HG PRO 94 2HG PRO 94 -8.442 -14.605 3.060 719 2HG PRO 94 1HG PRO 94 -6.845 -14.835 2.287 720 1HD PRO 94 1HD PRO 94 -7.505 -13.150 4.712 721 2HD PRO 94 2HD PRO 94 -6.202 -14.330 4.488 722 H LYS 95 HN LYS 95 -6.445 -10.428 0.197 723 HA LYS 95 HA LYS 95 -6.440 -7.908 1.320 724 1HB LYS 95 2HB LYS 95 -7.745 -8.948 -1.228 725 2HB LYS 95 1HB LYS 95 -7.636 -7.244 -0.840 726 1HG LYS 95 1HG LYS 95 -5.287 -9.162 -1.241 727 2HG LYS 95 2HG LYS 95 -5.844 -7.910 -2.351 728 1HD LYS 95 2HD LYS 95 -4.521 -7.466 0.351 729 2HD LYS 95 1HD LYS 95 -3.854 -7.170 -1.244 730 1HE LYS 95 2HE LYS 95 -5.623 -5.451 -1.677 731 2HE LYS 95 1HE LYS 95 -6.213 -5.666 -0.015 732 1HZ LYS 95 1HZ LYS 95 -3.526 -4.777 -0.773 733 2HZ LYS 95 2HZ LYS 95 -4.073 -4.987 0.768 734 3HZ LYS 95 3HZ LYS 95 -4.741 -3.828 -0.193 735 H ALA 96 H ALA 96 -9.259 -9.981 0.731 736 HA ALA 96 HA ALA 96 -11.367 -8.269 1.315 737 1HB ALA 96 1HB ALA 96 -12.542 -10.239 2.232 738 2HB ALA 96 2HB ALA 96 -11.647 -10.657 0.759 739 3HB ALA 96 3HB ALA 96 -11.003 -11.117 2.352 740 H THR 97 H THR 97 -9.116 -9.775 3.673 741 HA THR 97 HA THR 97 -10.422 -8.882 6.045 742 HB THR 97 HB THR 97 -7.414 -9.275 5.841 743 HG1 THR 97 HG1 THR 97 -7.953 -10.906 4.618 744 1HG2 THR 97 1HG2 THR 97 -8.503 -8.935 8.068 745 2HG2 THR 97 2HG2 THR 97 -7.765 -10.543 7.906 746 3HG2 THR 97 3HG2 THR 97 -9.522 -10.365 7.758 747 H ILE 98 H ILE 98 -7.861 -7.583 3.961 748 HA ILE 98 HA ILE 98 -7.228 -5.251 5.533 749 HB ILE 98 HB ILE 98 -6.681 -5.934 2.594 750 1HG1 ILE 98 1HG1 ILE 98 -5.237 -6.504 5.205 751 2HG1 ILE 98 2HG1 ILE 98 -5.721 -7.630 3.936 752 1HG2 ILE 98 1HG2 ILE 98 -5.383 -3.869 4.436 753 2HG2 ILE 98 2HG2 ILE 98 -4.944 -4.204 2.748 754 3HG2 ILE 98 3HG2 ILE 98 -6.502 -3.484 3.113 755 1HD1 ILE 98 1HD1 ILE 98 -3.365 -7.374 3.815 756 2HD1 ILE 98 2HD1 ILE 98 -3.464 -5.609 3.833 757 3HD1 ILE 98 3HD1 ILE 98 -4.037 -6.522 2.413 758 H VAL 99 H VAL 99 -9.483 -5.872 2.845 759 HA VAL 99 HA VAL 99 -10.356 -3.219 2.371 760 HB VAL 99 HB VAL 99 -11.605 -5.962 2.038 761 1HG1 VAL 99 1HG1 VAL 99 -13.529 -4.515 2.454 762 2HG1 VAL 99 2HG1 VAL 99 -12.907 -3.331 1.281 763 3HG1 VAL 99 3HG1 VAL 99 -13.428 -4.951 0.757 764 1HG2 VAL 99 1HG2 VAL 99 -10.740 -3.843 0.034 765 2HG2 VAL 99 2HG2 VAL 99 -11.298 -5.491 -0.326 766 3HG2 VAL 99 3HG2 VAL 99 -9.758 -5.240 0.516 767 H GLN 100 H GLN 100 -11.829 -5.792 4.411 768 HA GLN 100 HA GLN 100 -13.789 -4.180 5.663 769 1HB GLN 100 1HB GLN 100 -12.369 -6.765 6.238 770 2HB GLN 100 2HB GLN 100 -13.141 -5.985 7.614 771 1HG GLN 100 2HG GLN 100 -14.543 -7.662 6.353 772 2HG GLN 100 1HG GLN 100 -15.273 -6.093 6.723 773 1HE2 GLN 100 1HE2 GLN 100 -13.221 -7.376 3.967 774 2HE2 GLN 100 2HE2 GLN 100 -14.376 -6.833 2.759 775 H THR 101 H THR 101 -10.417 -4.803 6.667 776 HA THR 101 HA THR 101 -10.534 -3.278 9.061 777 HB THR 101 HB THR 101 -8.131 -3.784 7.254 778 HG1 THR 101 HG1 THR 101 -9.145 -5.702 7.902 779 1HG2 THR 101 1HG2 THR 101 -8.332 -3.112 10.226 780 2HG2 THR 101 2HG2 THR 101 -6.853 -3.614 9.387 781 3HG2 THR 101 3HG2 THR 101 -7.625 -2.077 8.964 782 H VAL 102 H VAL 102 -9.445 -2.211 5.747 783 HA VAL 102 HA VAL 102 -8.824 0.416 6.686 784 HB VAL 102 HB VAL 102 -8.022 -0.853 4.633 785 1HG1 VAL 102 1HG2 VAL 102 -7.444 1.286 3.506 786 2HG1 VAL 102 2HG2 VAL 102 -7.394 1.495 5.265 787 3HG1 VAL 102 3HG2 VAL 102 -8.783 2.094 4.351 788 1HG2 VAL 102 1HG1 VAL 102 -10.068 -1.284 3.443 789 2HG2 VAL 102 2HG1 VAL 102 -10.373 0.455 3.234 790 3HG2 VAL 102 3HG1 VAL 102 -8.969 -0.317 2.475 791 H GLU 103 HN GLU 103 -11.647 -0.946 5.071 792 HA GLU 103 HA GLU 103 -13.219 1.323 4.693 793 1HB GLU 103 2HB GLU 103 -13.924 -1.525 5.472 794 2HB GLU 103 1HB GLU 103 -15.159 -0.304 5.168 795 1HG GLU 103 2HG GLU 103 -14.415 0.075 2.906 796 2HG GLU 103 1HG GLU 103 -13.042 -1.007 3.096 797 H LYS 104 HN LYS 104 -12.776 -0.497 7.730 798 HA LYS 104 HA LYS 104 -14.776 0.870 9.200 799 1HB LYS 104 1HB LYS 104 -14.047 -0.276 10.995 800 2HB LYS 104 2HB LYS 104 -13.196 -1.217 9.771 801 1HG LYS 104 2HG LYS 104 -11.200 0.408 10.246 802 2HG LYS 104 1HG LYS 104 -12.101 0.895 11.682 803 1HD LYS 104 2HD LYS 104 -11.176 -1.924 10.970 804 2HD LYS 104 1HD LYS 104 -10.422 -0.848 12.152 805 1HE LYS 104 2HE LYS 104 -12.548 -0.851 13.486 806 2HE LYS 104 1HE LYS 104 -13.240 -2.019 12.341 807 1HZ LYS 104 1HZ LYS 104 -10.843 -2.454 13.972 808 2HZ LYS 104 2HZ LYS 104 -12.337 -3.089 14.252 809 3HZ LYS 104 3HZ LYS 104 -11.494 -3.531 12.907 810 H TYR 105 H TYR 105 -11.577 1.962 8.223 811 HA TYR 105 HA TYR 105 -11.651 4.297 10.065 812 1HB TYR 105 2HB TYR 105 -9.560 3.350 8.068 813 2HB TYR 105 1HB TYR 105 -9.412 4.742 9.133 814 HD1 TYR 105 HD1 TYR 105 -8.733 1.257 8.809 815 HD2 TYR 105 HD2 TYR 105 -9.676 4.298 11.711 816 HE1 TYR 105 HE1 TYR 105 -7.882 -0.205 10.620 817 HE2 TYR 105 HE2 TYR 105 -8.815 2.843 13.515 818 HH TYR 105 HH TYR 105 -7.815 0.823 14.031 819 H LEU 106 H LEU 106 -11.690 3.431 6.598 820 HA LEU 106 HA LEU 106 -12.334 6.256 5.857 821 1HB LEU 106 2HB LEU 106 -11.594 3.831 4.167 822 2HB LEU 106 1HB LEU 106 -11.908 5.468 3.558 823 HG LEU 106 HG LEU 106 -9.622 4.594 5.380 824 1HD1 LEU 106 1HD2 LEU 106 -8.723 6.896 4.951 825 2HD1 LEU 106 2HD2 LEU 106 -10.175 6.906 5.955 826 3HD1 LEU 106 3HD2 LEU 106 -10.284 7.347 4.234 827 1HD2 LEU 106 1HD1 LEU 106 -9.498 3.866 3.016 828 2HD2 LEU 106 2HD1 LEU 106 -9.670 5.545 2.481 829 3HD2 LEU 106 3HD1 LEU 106 -8.234 5.048 3.405 830 H ASN 107 H ASN 107 -13.519 3.759 3.713 831 HA ASN 107 HA ASN 107 -16.041 3.262 4.792 832 1HB ASN 107 2HB ASN 107 -16.207 5.784 4.070 833 2HB ASN 107 1HB ASN 107 -16.041 5.186 2.420 834 1HD2 ASN 107 1HD2 ASN 107 -17.667 2.800 2.629 835 2HD2 ASN 107 2HD2 ASN 107 -19.329 3.343 2.907 Start of MODEL 6 1 1H MET 1 1H MET 1 0.340 -3.287 -11.903 2 2H MET 1 2H MET 1 -0.356 -2.106 -10.968 3 3H MET 1 3H MET 1 -1.252 -3.374 -11.447 4 HA MET 1 HA MET 1 -0.088 -1.223 -13.077 5 1HB MET 1 2HB MET 1 -1.200 -2.123 -15.032 6 2HB MET 1 1HB MET 1 0.041 -3.208 -14.415 7 1HG MET 1 1HG MET 1 -2.955 -3.603 -14.061 8 2HG MET 1 2HG MET 1 -1.946 -4.369 -15.273 9 1HE MET 1 1HE MET 1 -3.964 -5.584 -12.932 10 2HE MET 1 2HE MET 1 -3.103 -7.091 -12.548 11 3HE MET 1 3HE MET 1 -3.316 -6.597 -14.244 12 H GLU 2 HN GLU 2 -3.149 -2.805 -11.944 13 HA GLU 2 HA GLU 2 -4.727 -0.380 -12.423 14 1HB GLU 2 1HB GLU 2 -5.216 -2.842 -10.696 15 2HB GLU 2 2HB GLU 2 -6.403 -1.569 -11.034 16 1HG GLU 2 2HG GLU 2 -6.438 -2.154 -13.396 17 2HG GLU 2 1HG GLU 2 -5.159 -3.355 -13.167 18 H ALA 3 H ALA 3 -3.253 -2.172 -9.748 19 HA ALA 3 HA ALA 3 -3.188 0.094 -7.903 20 1HB ALA 3 1HB ALA 3 -3.244 -2.267 -7.069 21 2HB ALA 3 2HB ALA 3 -1.735 -2.598 -7.931 22 3HB ALA 3 3HB ALA 3 -1.744 -1.450 -6.576 23 H GLY 4 H GLY 4 -1.399 1.621 -7.901 24 1HA GLY 4 1HA GLY 4 0.389 1.485 -10.218 25 2HA GLY 4 2HA GLY 4 0.373 2.705 -8.942 26 H ALA 5 H ALA 5 2.811 2.166 -9.575 27 HA ALA 5 HA ALA 5 3.886 0.341 -7.483 28 1HB ALA 5 1HB ALA 5 4.395 -0.616 -9.699 29 2HB ALA 5 2HB ALA 5 5.859 0.028 -8.927 30 3HB ALA 5 3HB ALA 5 5.068 0.944 -10.228 31 H VAL 6 H VAL 6 5.371 1.488 -6.126 32 HA VAL 6 HA VAL 6 5.989 4.295 -6.950 33 HB VAL 6 HB VAL 6 5.493 5.161 -4.782 34 1HG1 VAL 6 1HG1 VAL 6 4.738 2.365 -3.890 35 2HG1 VAL 6 2HG1 VAL 6 4.535 3.846 -2.946 36 3HG1 VAL 6 3HG1 VAL 6 6.165 3.289 -3.339 37 1HG2 VAL 6 1HG2 VAL 6 3.520 4.848 -6.304 38 2HG2 VAL 6 2HG2 VAL 6 3.116 4.852 -4.562 39 3HG2 VAL 6 3HG2 VAL 6 3.196 3.323 -5.438 40 H ASN 7 H ASN 7 7.668 5.280 -5.747 41 HA ASN 7 HA ASN 7 9.461 3.579 -4.228 42 1HB ASN 7 2HB ASN 7 10.375 3.282 -6.463 43 2HB ASN 7 1HB ASN 7 10.247 5.022 -6.814 44 1HD2 ASN 7 1HD2 ASN 7 11.705 2.974 -4.185 45 2HD2 ASN 7 2HD2 ASN 7 13.311 3.636 -4.359 46 H ASP 8 HN ASP 8 11.240 5.042 -3.405 47 HA ASP 8 HA ASP 8 10.342 6.835 -1.582 48 1HB ASP 8 2HB ASP 8 12.980 7.082 -3.108 49 2HB ASP 8 1HB ASP 8 12.623 7.857 -1.563 50 H ASP 9 HN ASP 9 11.359 7.760 -4.842 51 HA ASP 9 HA ASP 9 10.871 10.585 -4.563 52 1HB ASP 9 1HB ASP 9 12.321 9.757 -6.311 53 2HB ASP 9 2HB ASP 9 11.056 8.753 -7.004 54 H THR 10 H THR 10 9.068 8.355 -6.683 55 HA THR 10 HA THR 10 6.876 9.975 -7.188 56 HB THR 10 HB THR 10 5.694 7.917 -7.830 57 HG1 THR 10 HG1 THR 10 6.179 6.523 -6.237 58 1HG2 THR 10 1HG2 THR 10 7.276 7.035 -9.439 59 2HG2 THR 10 2HG2 THR 10 8.662 7.654 -8.531 60 3HG2 THR 10 3HG2 THR 10 7.532 8.786 -9.302 61 H PHE 11 H PHE 11 7.353 7.788 -4.487 62 HA PHE 11 HA PHE 11 5.025 7.427 -3.193 63 1HB PHE 11 2HB PHE 11 7.233 6.726 -2.450 64 2HB PHE 11 1HB PHE 11 7.628 8.360 -1.974 65 HD1 PHE 11 HD1 PHE 11 7.346 8.909 0.257 66 HD2 PHE 11 HD2 PHE 11 5.116 5.615 -1.370 67 HE1 PHE 11 HE1 PHE 11 6.582 8.325 2.540 68 HE2 PHE 11 HE2 PHE 11 4.344 5.020 0.915 69 HZ PHE 11 HZ PHE 11 5.096 6.356 2.871 70 H LYS 12 HN LYS 12 6.996 10.267 -3.078 71 HA LYS 12 HA LYS 12 5.646 12.009 -1.301 72 1HB LYS 12 1HB LYS 12 7.040 12.656 -3.939 73 2HB LYS 12 2HB LYS 12 6.561 13.826 -2.743 74 1HG LYS 12 1HG LYS 12 8.559 11.518 -2.349 75 2HG LYS 12 2HG LYS 12 8.989 13.174 -2.753 76 1HD LYS 12 1HD LYS 12 9.286 13.462 -0.542 77 2HD LYS 12 2HD LYS 12 7.529 13.617 -0.475 78 1HE LYS 12 1HE LYS 12 8.290 12.041 1.226 79 2HE LYS 12 2HE LYS 12 7.384 11.149 -0.006 80 1HZ LYS 12 1HZ LYS 12 9.473 10.421 -0.930 81 2HZ LYS 12 2HZ LYS 12 9.429 10.066 0.674 82 3HZ LYS 12 3HZ LYS 12 10.317 11.344 0.143 83 H ASN 13 H ASN 13 5.290 11.987 -4.853 84 HA ASN 13 HA ASN 13 3.106 13.887 -4.893 85 1HB ASN 13 1HB ASN 13 4.263 12.033 -7.015 86 2HB ASN 13 2HB ASN 13 3.141 13.350 -7.314 87 1HD2 ASN 13 2HD2 ASN 13 4.840 15.004 -5.100 88 2HD2 ASN 13 1HD2 ASN 13 6.166 15.524 -6.119 89 H VAL 14 H VAL 14 3.445 10.440 -5.104 90 HA VAL 14 HA VAL 14 0.591 9.907 -5.959 91 HB VAL 14 HB VAL 14 2.935 8.750 -6.603 92 1HG1 VAL 14 1HG2 VAL 14 1.694 6.534 -6.951 93 2HG1 VAL 14 2HG2 VAL 14 0.440 7.066 -5.824 94 3HG1 VAL 14 3HG2 VAL 14 0.584 7.858 -7.416 95 1HG2 VAL 14 1HG1 VAL 14 2.233 6.945 -4.459 96 2HG2 VAL 14 2HG1 VAL 14 3.450 8.255 -4.360 97 3HG2 VAL 14 3HG1 VAL 14 3.635 6.984 -5.556 98 H VAL 15 H VAL 15 2.490 9.266 -3.048 99 HA VAL 15 HA VAL 15 0.024 8.163 -1.802 100 HB VAL 15 HB VAL 15 2.888 8.202 -0.876 101 1HG1 VAL 15 1HG1 VAL 15 1.226 8.037 1.007 102 2HG1 VAL 15 2HG1 VAL 15 2.178 6.572 0.821 103 3HG1 VAL 15 3HG1 VAL 15 0.515 6.630 0.190 104 1HG2 VAL 15 1HG2 VAL 15 1.466 6.121 -2.431 105 2HG2 VAL 15 2HG2 VAL 15 2.755 5.701 -1.272 106 3HG2 VAL 15 3HG2 VAL 15 3.107 6.807 -2.559 107 H LEU 16 H LEU 16 2.650 10.515 -0.947 108 HA LEU 16 HA LEU 16 1.160 11.348 1.401 109 1HB LEU 16 1HB LEU 16 3.435 12.855 0.061 110 2HB LEU 16 2HB LEU 16 2.837 13.021 1.704 111 HG LEU 16 HG LEU 16 4.303 10.627 0.505 112 1HD1 LEU 16 1HD2 LEU 16 5.001 12.525 2.786 113 2HD1 LEU 16 2HD2 LEU 16 5.661 12.615 1.142 114 3HD1 LEU 16 3HD2 LEU 16 6.011 11.204 2.165 115 1HD2 LEU 16 1HD1 LEU 16 4.235 9.636 2.787 116 2HD2 LEU 16 2HD1 LEU 16 2.629 9.719 2.066 117 3HD2 LEU 16 3HD1 LEU 16 3.109 10.904 3.301 118 H GLU 17 HN GLU 17 1.843 13.129 -1.673 119 HA GLU 17 HA GLU 17 -0.110 15.182 -0.992 120 1HB GLU 17 2HB GLU 17 1.402 14.556 -3.551 121 2HB GLU 17 1HB GLU 17 0.534 16.051 -3.213 122 1HG GLU 17 1HG GLU 17 2.049 16.628 -1.399 123 2HG GLU 17 2HG GLU 17 2.898 15.084 -1.527 124 H SER 18 H SER 18 -1.532 12.789 -0.859 125 HA SER 18 HA SER 18 -2.944 12.365 -3.415 126 1HB SER 18 1HB SER 18 -3.997 10.535 -2.054 127 2HB SER 18 2HB SER 18 -2.236 10.403 -2.210 128 HG SER 18 HG SER 18 -2.030 10.752 -0.122 129 H SER 19 H SER 19 -5.320 12.273 -3.344 130 HA SER 19 HA SER 19 -6.593 14.365 -1.651 131 1HB SER 19 1HB SER 19 -8.345 14.108 -3.510 132 2HB SER 19 2HB SER 19 -6.786 14.809 -3.995 133 HG SER 19 HG SER 19 -7.391 13.159 -5.451 134 H VAL 20 H VAL 20 -7.511 11.433 -3.347 135 HA VAL 20 HA VAL 20 -9.288 10.446 -1.226 136 HB VAL 20 HB VAL 20 -9.617 8.557 -2.786 137 1HG1 VAL 20 1HG1 VAL 20 -7.652 9.912 -4.671 138 2HG1 VAL 20 2HG1 VAL 20 -7.355 8.401 -3.785 139 3HG1 VAL 20 3HG1 VAL 20 -8.643 8.481 -4.991 140 1HG2 VAL 20 1HG2 VAL 20 -9.790 11.247 -4.194 141 2HG2 VAL 20 2HG2 VAL 20 -10.961 10.615 -3.016 142 3HG2 VAL 20 3HG2 VAL 20 -10.726 9.785 -4.563 143 HA PRO 21 HA PRO 21 -6.424 7.924 0.970 144 1HB PRO 21 2HB PRO 21 -8.084 5.519 0.319 145 2HB PRO 21 1HB PRO 21 -7.437 5.995 1.905 146 1HG PRO 21 2HG PRO 21 -10.034 6.348 1.202 147 2HG PRO 21 1HG PRO 21 -9.185 7.597 2.136 148 1HD PRO 21 1HD PRO 21 -9.863 7.577 -0.792 149 2HD PRO 21 2HD PRO 21 -9.802 8.953 0.342 150 H VAL 22 H VAL 22 -4.985 5.994 0.792 151 HA VAL 22 HA VAL 22 -4.465 4.956 -1.927 152 HB VAL 22 HB VAL 22 -2.413 6.468 -0.258 153 1HG1 VAL 22 1HG1 VAL 22 -0.987 6.203 -2.258 154 2HG1 VAL 22 2HG1 VAL 22 -1.473 4.637 -1.607 155 3HG1 VAL 22 3HG1 VAL 22 -2.278 5.291 -3.053 156 1HG2 VAL 22 1HG2 VAL 22 -3.874 7.349 -2.774 157 2HG2 VAL 22 2HG2 VAL 22 -2.395 8.094 -2.151 158 3HG2 VAL 22 3HG2 VAL 22 -3.867 8.145 -1.182 159 H LEU 23 H LEU 23 -4.168 2.717 -1.659 160 HA LEU 23 HA LEU 23 -3.298 1.696 1.005 161 1HB LEU 23 2HB LEU 23 -5.365 0.916 -0.060 162 2HB LEU 23 1HB LEU 23 -4.478 0.311 -1.440 163 HG LEU 23 HG LEU 23 -3.968 -0.642 1.404 164 1HD1 LEU 23 1HD1 LEU 23 -2.157 -1.355 -0.112 165 2HD1 LEU 23 2HD1 LEU 23 -3.207 -2.742 0.148 166 3HD1 LEU 23 3HD1 LEU 23 -3.333 -1.819 -1.357 167 1HD2 LEU 23 1HD2 LEU 23 -5.840 -1.823 -0.684 168 2HD2 LEU 23 2HD2 LEU 23 -6.333 -0.988 0.804 169 3HD2 LEU 23 3HD2 LEU 23 -5.459 -2.525 0.904 170 H VAL 24 H VAL 24 -1.057 1.771 1.070 171 HA VAL 24 HA VAL 24 0.502 1.142 -1.403 172 HB VAL 24 HB VAL 24 1.427 2.265 1.265 173 1HG1 VAL 24 1HG1 VAL 24 2.789 2.080 -1.462 174 2HG1 VAL 24 2HG1 VAL 24 3.229 1.142 -0.020 175 3HG1 VAL 24 3HG1 VAL 24 3.449 2.894 -0.030 176 1HG2 VAL 24 1HG2 VAL 24 1.563 4.407 0.162 177 2HG2 VAL 24 2HG2 VAL 24 0.862 3.741 -1.329 178 3HG2 VAL 24 3HG2 VAL 24 -0.111 3.856 0.160 179 H ASP 25 HN ASP 25 0.920 -1.077 -1.600 180 HA ASP 25 HA ASP 25 1.334 -2.671 0.878 181 1HB ASP 25 2HB ASP 25 -0.011 -3.728 -0.844 182 2HB ASP 25 1HB ASP 25 1.270 -3.465 -2.032 183 H PHE 26 H PHE 26 3.363 -2.673 1.754 184 HA PHE 26 HA PHE 26 5.697 -1.878 0.145 185 1HB PHE 26 2HB PHE 26 5.338 -2.831 2.997 186 2HB PHE 26 1HB PHE 26 6.904 -2.616 2.240 187 HD1 PHE 26 HD1 PHE 26 3.762 -0.434 2.216 188 HD2 PHE 26 HD2 PHE 26 7.977 -0.769 3.105 189 HE1 PHE 26 HE1 PHE 26 3.855 1.962 2.719 190 HE2 PHE 26 HE2 PHE 26 7.989 1.594 3.850 191 HZ PHE 26 HZ PHE 26 5.910 2.957 3.685 192 H TRP 27 H TRP 27 6.531 -3.367 -1.252 193 HA TRP 27 HA TRP 27 6.319 -6.269 -0.578 194 1HB TRP 27 2HB TRP 27 5.749 -6.791 -2.809 195 2HB TRP 27 1HB TRP 27 4.614 -5.559 -2.285 196 HD1 TRP 27 HD1 TRP 27 5.313 -3.018 -3.238 197 HE1 TRP 27 HE1 TRP 27 6.446 -2.290 -5.458 198 HE3 TRP 27 HE3 TRP 27 7.045 -7.568 -4.793 199 HZ2 TRP 27 HZ2 TRP 27 8.027 -3.524 -7.505 200 HZ3 TRP 27 HZ3 TRP 27 8.346 -7.764 -6.883 201 HH2 TRP 27 HH2 TRP 27 8.848 -5.754 -8.246 202 H ALA 28 H ALA 28 7.654 -7.409 -2.503 203 HA ALA 28 HA ALA 28 9.915 -6.112 -3.563 204 1HB ALA 28 1HB ALA 28 10.721 -6.237 -1.131 205 2HB ALA 28 2HB ALA 28 10.483 -7.997 -1.208 206 3HB ALA 28 3HB ALA 28 11.701 -7.215 -2.214 207 HA PRO 29 HA PRO 29 9.375 -9.848 -5.941 208 1HB PRO 29 1HB PRO 29 11.905 -10.591 -6.740 209 2HB PRO 29 2HB PRO 29 10.980 -9.224 -7.436 210 1HG PRO 29 1HG PRO 29 13.116 -9.114 -5.290 211 2HG PRO 29 2HG PRO 29 12.952 -8.070 -6.731 212 1HD PRO 29 1HD PRO 29 12.054 -7.224 -4.326 213 2HD PRO 29 2HD PRO 29 11.073 -6.929 -5.769 214 H TRP 30 H TRP 30 11.934 -9.907 -3.483 215 HA TRP 30 HA TRP 30 11.812 -12.772 -3.025 216 1HB TRP 30 1HB TRP 30 13.266 -12.157 -1.085 217 2HB TRP 30 2HB TRP 30 13.862 -11.659 -2.658 218 HD1 TRP 30 HD1 TRP 30 14.567 -9.231 -2.935 219 HE1 TRP 30 HE1 TRP 30 14.652 -7.155 -1.424 220 HE3 TRP 30 HE3 TRP 30 11.491 -10.847 0.853 221 HZ2 TRP 30 HZ2 TRP 30 13.365 -6.242 0.989 222 HZ3 TRP 30 HZ3 TRP 30 10.982 -9.371 2.741 223 HH2 TRP 30 HH2 TRP 30 11.723 -7.008 2.726 224 H CYS 31 H CYS 31 9.523 -10.362 -2.307 225 HA CYS 31 HA CYS 31 9.008 -10.969 0.470 226 1HB CYS 31 1HB CYS 31 8.059 -8.981 -0.521 227 2HB CYS 31 2HB CYS 31 7.210 -9.957 -1.720 228 H GLY 32 H GLY 32 7.239 -12.094 -2.455 229 1HA GLY 32 2HA GLY 32 6.547 -14.318 -2.846 230 2HA GLY 32 1HA GLY 32 6.571 -14.712 -1.139 231 HA PRO 33 HA PRO 33 2.237 -14.121 -0.692 232 1HB PRO 33 2HB PRO 33 2.840 -11.958 1.335 233 2HB PRO 33 1HB PRO 33 1.591 -13.240 1.390 234 1HG PRO 33 1HG PRO 33 3.917 -13.620 2.721 235 2HG PRO 33 2HG PRO 33 3.280 -14.943 1.697 236 1HD PRO 33 2HD PRO 33 5.403 -12.911 1.028 237 2HD PRO 33 1HD PRO 33 5.441 -14.683 0.774 238 H CYS 34 H CYS 34 3.992 -11.073 -0.601 239 HA CYS 34 HA CYS 34 2.240 -9.152 -1.506 240 1HB CYS 34 2HB CYS 34 5.094 -9.418 -2.448 241 2HB CYS 34 1HB CYS 34 4.040 -8.000 -2.409 242 H ARG 35 HN ARG 35 4.060 -11.534 -3.504 243 HA ARG 35 HA ARG 35 3.299 -10.391 -6.058 244 1HB ARG 35 1HB ARG 35 4.583 -13.025 -5.211 245 2HB ARG 35 2HB ARG 35 4.263 -12.571 -6.876 246 1HG ARG 35 2HG ARG 35 5.735 -10.673 -6.771 247 2HG ARG 35 1HG ARG 35 5.834 -10.741 -5.008 248 1HD ARG 35 1HD ARG 35 7.868 -11.545 -6.013 249 2HD ARG 35 2HD ARG 35 7.084 -12.837 -5.085 250 HE ARG 35 HE ARG 35 6.208 -13.096 -7.740 251 1HH1 ARG 35 1HH2 ARG 35 9.291 -13.183 -5.980 252 2HH1 ARG 35 2HH2 ARG 35 10.021 -14.349 -7.048 253 1HH2 ARG 35 1HH1 ARG 35 7.178 -14.597 -9.164 254 2HH2 ARG 35 2HH1 ARG 35 8.810 -15.149 -8.904 255 H ILE 36 H ILE 36 2.193 -13.164 -4.056 256 HA ILE 36 HA ILE 36 0.119 -13.792 -6.064 257 HB ILE 36 HB ILE 36 -0.613 -15.532 -4.482 258 1HG1 ILE 36 2HG1 ILE 36 1.070 -16.225 -2.728 259 2HG1 ILE 36 1HG1 ILE 36 1.748 -14.612 -2.761 260 1HG2 ILE 36 1HG2 ILE 36 1.334 -16.944 -4.912 261 2HG2 ILE 36 2HG2 ILE 36 2.365 -15.519 -5.142 262 3HG2 ILE 36 3HG2 ILE 36 1.058 -15.875 -6.291 263 1HD1 ILE 36 1HD1 ILE 36 -0.556 -13.762 -2.056 264 2HD1 ILE 36 2HD1 ILE 36 -1.157 -15.425 -2.128 265 3HD1 ILE 36 3HD1 ILE 36 0.061 -14.974 -0.924 266 H ILE 37 H ILE 37 0.371 -11.561 -3.456 267 HA ILE 37 HA ILE 37 -2.502 -11.117 -3.192 268 HB ILE 37 HB ILE 37 0.035 -9.790 -2.207 269 1HG1 ILE 37 2HG1 ILE 37 -2.471 -10.720 -0.742 270 2HG1 ILE 37 1HG1 ILE 37 -1.109 -11.783 -1.100 271 1HG2 ILE 37 1HG2 ILE 37 -1.274 -7.865 -2.822 272 2HG2 ILE 37 2HG2 ILE 37 -2.736 -8.553 -2.067 273 3HG2 ILE 37 3HG2 ILE 37 -1.352 -8.042 -1.082 274 1HD1 ILE 37 1HD1 ILE 37 -1.021 -9.325 0.686 275 2HD1 ILE 37 2HD1 ILE 37 -0.851 -11.022 1.146 276 3HD1 ILE 37 3HD1 ILE 37 0.409 -10.247 0.169 277 H ALA 38 H ALA 38 0.170 -9.598 -5.010 278 HA ALA 38 HA ALA 38 -0.640 -7.481 -6.156 279 1HB ALA 38 1HB ALA 38 0.590 -7.986 -8.161 280 2HB ALA 38 2HB ALA 38 1.412 -8.698 -6.761 281 3HB ALA 38 3HB ALA 38 0.468 -9.715 -7.876 282 HA PRO 39 HA PRO 39 -3.439 -9.342 -9.631 283 1HB PRO 39 2HB PRO 39 -4.627 -11.794 -8.424 284 2HB PRO 39 1HB PRO 39 -3.959 -11.572 -10.061 285 1HG PRO 39 1HG PRO 39 -2.636 -13.060 -8.172 286 2HG PRO 39 2HG PRO 39 -1.737 -11.989 -9.293 287 1HD PRO 39 2HD PRO 39 -2.676 -11.338 -6.485 288 2HD PRO 39 1HD PRO 39 -1.062 -11.197 -7.070 289 H VAL 40 H VAL 40 -4.140 -10.034 -6.256 290 HA VAL 40 HA VAL 40 -6.966 -9.329 -6.317 291 HB VAL 40 HB VAL 40 -5.256 -11.033 -4.841 292 1HG1 VAL 40 1HG1 VAL 40 -5.507 -10.571 -2.579 293 2HG1 VAL 40 2HG1 VAL 40 -6.310 -9.015 -2.926 294 3HG1 VAL 40 3HG1 VAL 40 -4.604 -9.257 -3.307 295 1HG2 VAL 40 1HG2 VAL 40 -7.345 -11.673 -3.687 296 2HG2 VAL 40 2HG2 VAL 40 -8.143 -10.211 -4.307 297 3HG2 VAL 40 3HG2 VAL 40 -7.599 -11.483 -5.428 298 H VAL 41 H VAL 41 -3.923 -7.869 -5.035 299 HA VAL 41 HA VAL 41 -5.245 -5.404 -4.111 300 HB VAL 41 HB VAL 41 -2.780 -6.497 -3.814 301 1HG1 VAL 41 1HG2 VAL 41 -3.766 -4.524 -2.407 302 2HG1 VAL 41 2HG2 VAL 41 -2.066 -4.247 -2.831 303 3HG1 VAL 41 3HG2 VAL 41 -3.341 -3.446 -3.749 304 1HG2 VAL 41 1HG1 VAL 41 -2.126 -6.035 -6.051 305 2HG2 VAL 41 2HG1 VAL 41 -1.035 -5.502 -4.783 306 3HG2 VAL 41 3HG1 VAL 41 -2.037 -4.321 -5.664 307 H ASP 42 HN ASP 42 -3.888 -6.382 -7.237 308 HA ASP 42 HA ASP 42 -4.424 -3.834 -8.469 309 1HB ASP 42 1HB ASP 42 -3.922 -6.624 -9.533 310 2HB ASP 42 2HB ASP 42 -4.549 -5.387 -10.601 311 H GLU 43 HN GLU 43 -6.438 -6.927 -8.614 312 HA GLU 43 HA GLU 43 -8.471 -5.595 -10.062 313 1HB GLU 43 1HB GLU 43 -9.763 -7.412 -9.774 314 2HB GLU 43 2HB GLU 43 -8.175 -8.134 -9.517 315 1HG GLU 43 2HG GLU 43 -8.619 -7.879 -7.006 316 2HG GLU 43 1HG GLU 43 -10.271 -7.380 -7.409 317 H ILE 44 H ILE 44 -7.916 -5.869 -6.551 318 HA ILE 44 HA ILE 44 -10.254 -4.526 -5.651 319 HB ILE 44 HB ILE 44 -7.446 -4.832 -4.553 320 1HG1 ILE 44 1HG1 ILE 44 -9.199 -6.746 -4.673 321 2HG1 ILE 44 2HG1 ILE 44 -8.375 -6.439 -3.151 322 1HG2 ILE 44 1HG2 ILE 44 -9.703 -3.340 -3.185 323 2HG2 ILE 44 2HG2 ILE 44 -8.111 -2.709 -3.638 324 3HG2 ILE 44 3HG2 ILE 44 -8.239 -3.945 -2.385 325 1HD1 ILE 44 1HD1 ILE 44 -10.368 -5.320 -2.254 326 2HD1 ILE 44 2HD1 ILE 44 -10.778 -6.924 -2.864 327 3HD1 ILE 44 3HD1 ILE 44 -11.197 -5.491 -3.817 328 H ALA 45 H ALA 45 -7.037 -3.219 -6.660 329 HA ALA 45 HA ALA 45 -7.620 -0.499 -6.310 330 1HB ALA 45 1HB ALA 45 -5.931 -0.057 -7.940 331 2HB ALA 45 2HB ALA 45 -5.440 -1.603 -7.190 332 3HB ALA 45 3HB ALA 45 -6.195 -1.570 -8.780 333 H GLY 46 H GLY 46 -8.323 -2.633 -9.123 334 1HA GLY 46 2HA GLY 46 -9.621 -0.851 -10.836 335 2HA GLY 46 1HA GLY 46 -10.027 -2.568 -10.659 336 H GLU 47 HN GLU 47 -11.160 -2.892 -8.265 337 HA GLU 47 HA GLU 47 -13.768 -1.821 -8.584 338 1HB GLU 47 2HB GLU 47 -12.628 -2.877 -5.975 339 2HB GLU 47 1HB GLU 47 -14.291 -2.889 -6.531 340 1HG GLU 47 2HG GLU 47 -11.965 -4.639 -7.376 341 2HG GLU 47 1HG GLU 47 -13.487 -5.112 -6.690 342 H TYR 48 H TYR 48 -11.325 -0.973 -6.151 343 HA TYR 48 HA TYR 48 -13.059 1.108 -5.005 344 1HB TYR 48 1HB TYR 48 -10.296 0.062 -4.329 345 2HB TYR 48 2HB TYR 48 -11.020 1.432 -3.503 346 HD1 TYR 48 HD1 TYR 48 -12.777 1.198 -1.879 347 HD2 TYR 48 HD2 TYR 48 -11.438 -2.219 -4.130 348 HE1 TYR 48 HE1 TYR 48 -14.097 -0.290 -0.416 349 HE2 TYR 48 HE2 TYR 48 -12.788 -3.704 -2.695 350 HH TYR 48 HH TYR 48 -14.818 -2.473 -0.024 351 H LYS 49 HN LYS 49 -10.782 1.211 -7.552 352 HA LYS 49 HA LYS 49 -9.207 3.258 -7.488 353 1HB LYS 49 2HB LYS 49 -9.713 1.991 -9.523 354 2HB LYS 49 1HB LYS 49 -11.307 2.751 -9.620 355 1HG LYS 49 1HG LYS 49 -10.286 4.896 -10.193 356 2HG LYS 49 2HG LYS 49 -8.670 4.247 -9.868 357 1HD LYS 49 1HD LYS 49 -9.179 4.377 -12.270 358 2HD LYS 49 2HD LYS 49 -8.842 2.717 -11.774 359 1HE LYS 49 2HE LYS 49 -11.717 3.728 -11.896 360 2HE LYS 49 1HE LYS 49 -10.869 3.267 -13.378 361 1HZ LYS 49 1HZ LYS 49 -10.491 1.112 -12.486 362 2HZ LYS 49 2HZ LYS 49 -11.284 1.467 -11.090 363 3HZ LYS 49 3HZ LYS 49 -12.099 1.457 -12.512 364 H ASP 50 HN ASP 50 -12.577 3.934 -8.392 365 HA ASP 50 HA ASP 50 -12.538 6.695 -8.523 366 1HB ASP 50 1HB ASP 50 -14.724 4.787 -7.566 367 2HB ASP 50 2HB ASP 50 -14.985 6.491 -7.915 368 H LYS 51 HN LYS 51 -12.851 4.701 -5.653 369 HA LYS 51 HA LYS 51 -13.536 6.986 -3.905 370 1HB LYS 51 1HB LYS 51 -13.087 4.217 -2.860 371 2HB LYS 51 2HB LYS 51 -14.251 5.428 -2.354 372 1HG LYS 51 2HG LYS 51 -15.569 4.983 -4.466 373 2HG LYS 51 1HG LYS 51 -14.414 3.691 -4.862 374 1HD LYS 51 2HD LYS 51 -14.948 2.587 -2.662 375 2HD LYS 51 1HD LYS 51 -16.201 3.811 -2.406 376 1HE LYS 51 2HE LYS 51 -17.238 1.811 -3.302 377 2HE LYS 51 1HE LYS 51 -17.309 3.074 -4.542 378 1HZ LYS 51 1HZ LYS 51 -15.422 2.036 -5.603 379 2HZ LYS 51 2HZ LYS 51 -15.331 0.895 -4.419 380 3HZ LYS 51 3HZ LYS 51 -16.638 0.948 -5.417 381 H LEU 52 H LEU 52 -10.919 4.658 -4.462 382 HA LEU 52 HA LEU 52 -9.041 6.059 -2.694 383 1HB LEU 52 1HB LEU 52 -9.808 4.886 -0.880 384 2HB LEU 52 2HB LEU 52 -10.759 3.839 -1.886 385 HG LEU 52 HG LEU 52 -8.770 2.419 -2.356 386 1HD1 LEU 52 1HD2 LEU 52 -6.901 2.377 -0.985 387 2HD1 LEU 52 2HD2 LEU 52 -7.033 4.106 -1.349 388 3HD1 LEU 52 3HD2 LEU 52 -7.568 3.463 0.220 389 1HD2 LEU 52 1HD1 LEU 52 -9.814 2.774 0.498 390 2HD2 LEU 52 2HD1 LEU 52 -9.083 1.286 -0.147 391 3HD2 LEU 52 3HD1 LEU 52 -10.629 1.873 -0.791 392 H LYS 53 HN LYS 53 -6.924 5.382 -3.078 393 HA LYS 53 HA LYS 53 -6.478 4.135 -5.738 394 1HB LYS 53 1HB LYS 53 -5.619 6.487 -4.606 395 2HB LYS 53 2HB LYS 53 -4.281 5.439 -4.185 396 1HG LYS 53 2HG LYS 53 -5.383 6.092 -6.965 397 2HG LYS 53 1HG LYS 53 -3.910 6.715 -6.221 398 1HD LYS 53 1HD LYS 53 -3.103 4.245 -6.137 399 2HD LYS 53 2HD LYS 53 -4.460 3.914 -7.246 400 1HE LYS 53 1HE LYS 53 -2.526 4.185 -8.584 401 2HE LYS 53 2HE LYS 53 -3.529 5.624 -8.824 402 1HZ LYS 53 1HZ LYS 53 -2.090 6.779 -7.286 403 2HZ LYS 53 2HZ LYS 53 -1.214 6.148 -8.528 404 3HZ LYS 53 3HZ LYS 53 -1.186 5.421 -7.050 405 H CYS 54 H CYS 54 -4.723 2.507 -5.957 406 HA CYS 54 HA CYS 54 -3.908 1.124 -3.435 407 1HB CYS 54 2HB CYS 54 -5.427 0.090 -5.753 408 2HB CYS 54 1HB CYS 54 -3.892 -0.739 -5.457 409 HG CYS 54 HG CYS 54 -5.616 -2.222 -4.480 410 H VAL 55 H VAL 55 -1.736 0.326 -3.536 411 HA VAL 55 HA VAL 55 -0.212 0.740 -5.967 412 HB VAL 55 HB VAL 55 1.245 2.339 -4.086 413 1HG1 VAL 55 1HG1 VAL 55 -1.514 3.548 -4.424 414 2HG1 VAL 55 2HG1 VAL 55 -0.902 2.827 -2.914 415 3HG1 VAL 55 3HG1 VAL 55 -0.090 4.229 -3.635 416 1HG2 VAL 55 1HG2 VAL 55 1.418 2.542 -6.475 417 2HG2 VAL 55 2HG2 VAL 55 0.940 4.104 -5.802 418 3HG2 VAL 55 3HG2 VAL 55 -0.267 3.090 -6.612 419 H LYS 56 HN LYS 56 2.081 0.285 -5.682 420 HA LYS 56 HA LYS 56 2.674 -1.531 -3.388 421 1HB LYS 56 2HB LYS 56 2.518 -1.912 -6.324 422 2HB LYS 56 1HB LYS 56 3.922 -2.642 -5.558 423 1HG LYS 56 1HG LYS 56 2.552 -3.867 -3.980 424 2HG LYS 56 2HG LYS 56 1.075 -3.078 -4.561 425 1HD LYS 56 1HD LYS 56 2.877 -4.863 -6.270 426 2HD LYS 56 2HD LYS 56 1.441 -5.416 -5.394 427 1HE LYS 56 2HE LYS 56 0.082 -3.684 -6.663 428 2HE LYS 56 1HE LYS 56 1.502 -3.384 -7.678 429 1HZ LYS 56 1HZ LYS 56 1.456 -5.667 -8.327 430 2HZ LYS 56 2HZ LYS 56 -0.022 -4.993 -8.626 431 3HZ LYS 56 3HZ LYS 56 0.180 -5.974 -7.332 432 H LEU 57 H LEU 57 4.376 -0.824 -2.278 433 HA LEU 57 HA LEU 57 6.460 0.877 -3.595 434 1HB LEU 57 1HB LEU 57 5.445 1.827 -1.645 435 2HB LEU 57 2HB LEU 57 5.788 0.401 -0.668 436 HG LEU 57 HG LEU 57 8.084 1.889 -1.961 437 1HD1 LEU 57 1HD2 LEU 57 9.029 1.278 0.413 438 2HD1 LEU 57 2HD2 LEU 57 8.785 -0.052 -0.728 439 3HD1 LEU 57 3HD2 LEU 57 7.618 0.240 0.559 440 1HD2 LEU 57 1HD1 LEU 57 6.693 3.658 -0.960 441 2HD2 LEU 57 2HD1 LEU 57 6.647 2.766 0.576 442 3HD2 LEU 57 3HD1 LEU 57 8.182 3.416 -0.044 443 H ASN 58 H ASN 58 8.215 -0.146 -4.336 444 HA ASN 58 HA ASN 58 8.853 -2.874 -3.423 445 1HB ASN 58 1HB ASN 58 9.200 -2.237 -5.763 446 2HB ASN 58 2HB ASN 58 10.390 -1.038 -5.275 447 1HD2 ASN 58 2HD2 ASN 58 10.175 -4.116 -6.496 448 2HD2 ASN 58 1HD2 ASN 58 11.676 -4.761 -5.857 449 H THR 59 H THR 59 9.783 -3.191 -1.565 450 HA THR 59 HA THR 59 10.778 -1.084 0.116 451 HB THR 59 HB THR 59 11.005 -4.103 0.474 452 HG1 THR 59 HG1 THR 59 8.872 -3.639 0.025 453 1HG2 THR 59 1HG2 THR 59 10.603 -1.880 2.514 454 2HG2 THR 59 2HG2 THR 59 12.165 -2.685 2.210 455 3HG2 THR 59 3HG2 THR 59 10.793 -3.610 2.849 456 H ASP 60 HN ASP 60 12.328 -3.229 -2.160 457 HA ASP 60 HA ASP 60 14.992 -3.157 -0.950 458 1HB ASP 60 1HB ASP 60 13.778 -5.024 -2.356 459 2HB ASP 60 2HB ASP 60 14.260 -4.076 -3.753 460 H GLU 61 HN GLU 61 13.148 -1.777 -3.581 461 HA GLU 61 HA GLU 61 15.242 -0.068 -4.658 462 1HB GLU 61 2HB GLU 61 13.217 -1.141 -5.882 463 2HB GLU 61 1HB GLU 61 12.244 0.109 -5.077 464 1HG GLU 61 1HG GLU 61 12.704 0.893 -7.244 465 2HG GLU 61 2HG GLU 61 13.730 1.854 -6.185 466 H SER 62 H SER 62 12.723 0.178 -2.235 467 HA SER 62 HA SER 62 13.160 3.075 -1.824 468 1HB SER 62 1HB SER 62 10.741 1.459 -0.972 469 2HB SER 62 2HB SER 62 10.960 3.209 -1.098 470 HG SER 62 HG SER 62 10.766 1.223 -3.104 471 HA PRO 63 HA PRO 63 14.613 0.410 1.893 472 1HB PRO 63 1HB PRO 63 17.227 1.145 1.952 473 2HB PRO 63 2HB PRO 63 16.628 -0.136 0.853 474 1HG PRO 63 2HG PRO 63 17.019 2.811 0.180 475 2HG PRO 63 1HG PRO 63 17.658 1.420 -0.702 476 1HD PRO 63 1HD PRO 63 15.367 2.514 -1.515 477 2HD PRO 63 2HD PRO 63 15.453 0.730 -1.413 478 H ASN 64 H ASN 64 15.147 3.661 0.705 479 HA ASN 64 HA ASN 64 15.784 4.981 3.184 480 1HB ASN 64 1HB ASN 64 14.280 6.177 0.831 481 2HB ASN 64 2HB ASN 64 15.024 7.053 2.162 482 1HD2 ASN 64 2HD2 ASN 64 15.606 5.599 -0.951 483 2HD2 ASN 64 1HD2 ASN 64 17.350 5.845 -0.933 484 H VAL 65 H VAL 65 12.575 4.970 1.570 485 HA VAL 65 HA VAL 65 11.152 5.863 3.848 486 HB VAL 65 HB VAL 65 10.405 4.312 1.343 487 1HG1 VAL 65 1HG2 VAL 65 8.720 3.689 2.984 488 2HG1 VAL 65 2HG2 VAL 65 8.036 4.883 1.873 489 3HG1 VAL 65 3HG2 VAL 65 8.556 5.388 3.495 490 1HG2 VAL 65 1HG1 VAL 65 9.534 6.514 0.686 491 2HG2 VAL 65 2HG1 VAL 65 9.895 7.172 2.301 492 3HG2 VAL 65 3HG1 VAL 65 11.212 6.721 1.221 493 H ALA 66 H ALA 66 11.816 2.571 2.699 494 HA ALA 66 HA ALA 66 10.467 1.115 4.643 495 1HB ALA 66 1HB ALA 66 11.730 0.170 2.681 496 2HB ALA 66 2HB ALA 66 12.065 -0.693 4.193 497 3HB ALA 66 3HB ALA 66 13.238 0.458 3.576 498 H SER 67 H SER 67 13.776 2.519 4.920 499 HA SER 67 HA SER 67 14.246 1.541 7.583 500 1HB SER 67 2HB SER 67 15.529 3.874 6.087 501 2HB SER 67 1HB SER 67 16.130 3.121 7.577 502 HG SER 67 HG SER 67 15.824 1.897 5.034 503 H GLU 68 HN GLU 68 13.067 4.634 6.268 504 HA GLU 68 HA GLU 68 12.924 6.116 8.674 505 1HB GLU 68 1HB GLU 68 11.121 6.159 6.221 506 2HB GLU 68 2HB GLU 68 11.039 7.351 7.514 507 1HG GLU 68 1HG GLU 68 13.181 8.230 7.051 508 2HG GLU 68 2HG GLU 68 13.676 6.835 6.096 509 H TYR 69 H TYR 69 10.474 3.909 7.227 510 HA TYR 69 HA TYR 69 8.707 4.209 9.553 511 1HB TYR 69 2HB TYR 69 8.702 2.538 7.027 512 2HB TYR 69 1HB TYR 69 7.598 2.181 8.342 513 HD1 TYR 69 HD1 TYR 69 6.152 4.129 9.292 514 HD2 TYR 69 HD2 TYR 69 8.082 4.230 5.447 515 HE1 TYR 69 HE1 TYR 69 4.741 6.057 8.640 516 HE2 TYR 69 HE2 TYR 69 6.672 6.177 4.796 517 HH TYR 69 HH TYR 69 4.352 7.676 7.051 518 H GLY 70 H GLY 70 11.135 1.832 8.524 519 1HA GLY 70 1HA GLY 70 12.375 0.518 10.057 520 2HA GLY 70 2HA GLY 70 11.097 0.658 11.271 521 H ILE 71 H ILE 71 11.165 -0.278 7.820 522 HA ILE 71 HA ILE 71 9.319 -2.487 8.231 523 HB ILE 71 HB ILE 71 10.881 -1.593 5.800 524 1HG1 ILE 71 1HG1 ILE 71 9.352 0.180 6.688 525 2HG1 ILE 71 2HG1 ILE 71 8.918 -0.431 5.110 526 1HG2 ILE 71 1HG2 ILE 71 10.136 -3.876 5.483 527 2HG2 ILE 71 2HG2 ILE 71 9.048 -2.822 4.571 528 3HG2 ILE 71 3HG2 ILE 71 8.528 -3.505 6.126 529 1HD1 ILE 71 1HD1 ILE 71 7.072 -1.737 6.066 530 2HD1 ILE 71 2HD1 ILE 71 6.988 -0.039 6.540 531 3HD1 ILE 71 3HD1 ILE 71 7.550 -1.230 7.711 532 H ARG 72 HN ARG 72 10.295 -3.899 9.600 533 HA ARG 72 HA ARG 72 12.911 -5.076 9.100 534 1HB ARG 72 1HB ARG 72 12.362 -6.522 10.933 535 2HB ARG 72 2HB ARG 72 11.911 -4.883 11.389 536 1HG ARG 72 1HG ARG 72 9.898 -6.984 10.368 537 2HG ARG 72 2HG ARG 72 10.307 -6.838 11.996 538 1HD ARG 72 1HD ARG 72 8.490 -5.469 12.035 539 2HD ARG 72 2HD ARG 72 9.640 -4.222 11.556 540 HE ARG 72 HE ARG 72 8.272 -5.868 9.470 541 1HH1 ARG 72 2HH1 ARG 72 8.429 -2.645 10.986 542 2HH1 ARG 72 1HH1 ARG 72 7.039 -2.073 10.118 543 1HH2 ARG 72 2HH2 ARG 72 6.873 -4.922 8.014 544 2HH2 ARG 72 1HH2 ARG 72 6.120 -3.411 8.370 545 H SER 73 H SER 73 9.608 -5.676 8.085 546 HA SER 73 HA SER 73 10.273 -8.037 6.532 547 1HB SER 73 2HB SER 73 8.347 -8.211 8.898 548 2HB SER 73 1HB SER 73 8.732 -9.517 7.816 549 HG SER 73 HG SER 73 11.054 -8.810 8.653 550 H ILE 74 H ILE 74 8.266 -8.728 5.363 551 HA ILE 74 HA ILE 74 6.162 -6.723 5.073 552 HB ILE 74 HB ILE 74 6.643 -6.694 2.544 553 1HG1 ILE 74 1HG1 ILE 74 9.394 -7.663 3.349 554 2HG1 ILE 74 2HG1 ILE 74 8.169 -8.649 2.527 555 1HG2 ILE 74 1HG2 ILE 74 8.123 -4.831 2.706 556 2HG2 ILE 74 2HG2 ILE 74 7.160 -4.822 4.183 557 3HG2 ILE 74 3HG2 ILE 74 8.830 -5.436 4.214 558 1HD1 ILE 74 1HD1 ILE 74 9.568 -7.787 0.820 559 2HD1 ILE 74 2HD1 ILE 74 9.503 -6.135 1.454 560 3HD1 ILE 74 3HD1 ILE 74 8.060 -6.881 0.731 561 HA PRO 75 HA PRO 75 4.523 -6.896 2.680 562 1HB PRO 75 2HB PRO 75 1.848 -7.354 2.942 563 2HB PRO 75 1HB PRO 75 2.861 -8.121 1.698 564 1HG PRO 75 1HG PRO 75 2.079 -9.234 4.390 565 2HG PRO 75 2HG PRO 75 1.926 -10.043 2.797 566 1HD PRO 75 1HD PRO 75 4.044 -10.539 4.431 567 2HD PRO 75 2HD PRO 75 4.302 -10.368 2.675 568 H THR 76 H THR 76 3.512 -5.067 3.300 569 HA THR 76 HA THR 76 2.372 -4.673 5.934 570 HB THR 76 HB THR 76 5.037 -3.426 5.177 571 HG1 THR 76 HG1 THR 76 4.511 -5.490 6.516 572 1HG2 THR 76 1HG2 THR 76 3.631 -1.580 5.953 573 2HG2 THR 76 2HG2 THR 76 4.725 -2.045 7.261 574 3HG2 THR 76 3HG2 THR 76 3.025 -2.558 7.304 575 H ILE 77 H ILE 77 0.551 -3.938 5.178 576 HA ILE 77 HA ILE 77 0.454 -2.209 2.768 577 HB ILE 77 HB ILE 77 -1.574 -3.799 4.357 578 1HG1 ILE 77 1HG1 ILE 77 -0.844 -3.807 1.392 579 2HG1 ILE 77 2HG1 ILE 77 -0.021 -4.826 2.581 580 1HG2 ILE 77 1HG2 ILE 77 -2.705 -1.711 3.854 581 2HG2 ILE 77 2HG2 ILE 77 -2.026 -1.692 2.216 582 3HG2 ILE 77 3HG2 ILE 77 -3.257 -2.894 2.676 583 1HD1 ILE 77 1HD1 ILE 77 -1.700 -6.145 1.507 584 2HD1 ILE 77 2HD1 ILE 77 -2.966 -4.965 1.877 585 3HD1 ILE 77 3HD1 ILE 77 -2.174 -5.868 3.195 586 H MET 78 H MET 78 0.534 -0.039 3.107 587 HA MET 78 HA MET 78 -0.271 1.036 5.788 588 1HB MET 78 1HB MET 78 1.432 2.193 3.581 589 2HB MET 78 2HB MET 78 0.901 3.066 5.037 590 1HG MET 78 1HG MET 78 2.012 1.230 6.402 591 2HG MET 78 2HG MET 78 2.699 0.649 4.894 592 1HE MET 78 1HE MET 78 4.517 1.224 7.420 593 2HE MET 78 2HE MET 78 4.927 0.652 5.782 594 3HE MET 78 3HE MET 78 5.829 2.001 6.498 595 H VAL 79 H VAL 79 -2.016 2.234 5.915 596 HA VAL 79 HA VAL 79 -3.540 2.886 3.431 597 HB VAL 79 HB VAL 79 -4.367 3.047 6.366 598 1HG1 VAL 79 1HG1 VAL 79 -5.070 1.079 4.156 599 2HG1 VAL 79 2HG1 VAL 79 -5.894 1.172 5.732 600 3HG1 VAL 79 3HG1 VAL 79 -4.184 0.718 5.652 601 1HG2 VAL 79 1HG2 VAL 79 -5.924 3.522 3.777 602 2HG2 VAL 79 2HG2 VAL 79 -5.478 4.770 4.948 603 3HG2 VAL 79 3HG2 VAL 79 -6.619 3.508 5.413 604 H PHE 80 H PHE 80 -3.030 4.825 2.626 605 HA PHE 80 HA PHE 80 -2.224 7.070 4.434 606 1HB PHE 80 1HB PHE 80 -1.326 6.230 1.676 607 2HB PHE 80 2HB PHE 80 -1.148 7.895 2.211 608 HD1 PHE 80 HD1 PHE 80 0.446 8.542 3.937 609 HD2 PHE 80 HD2 PHE 80 0.154 4.477 2.528 610 HE1 PHE 80 HE1 PHE 80 2.703 8.066 4.843 611 HE2 PHE 80 HE2 PHE 80 2.511 4.091 3.242 612 HZ PHE 80 HZ PHE 80 3.686 5.785 4.590 613 H LYS 81 HN LYS 81 -2.750 9.179 3.488 614 HA LYS 81 HA LYS 81 -4.688 9.465 1.434 615 1HB LYS 81 1HB LYS 81 -6.612 10.112 2.623 616 2HB LYS 81 2HB LYS 81 -6.123 8.631 3.419 617 1HG LYS 81 1HG LYS 81 -5.967 11.470 4.468 618 2HG LYS 81 2HG LYS 81 -6.824 10.077 5.114 619 1HD LYS 81 2HD LYS 81 -4.707 8.981 5.686 620 2HD LYS 81 1HD LYS 81 -3.797 10.383 5.079 621 1HE LYS 81 1HE LYS 81 -5.769 10.464 7.385 622 2HE LYS 81 2HE LYS 81 -4.005 10.423 7.522 623 1HZ LYS 81 1HZ LYS 81 -4.755 12.641 7.685 624 2HZ LYS 81 2HZ LYS 81 -3.953 12.495 6.249 625 3HZ LYS 81 3HZ LYS 81 -5.598 12.548 6.275 626 H GLY 82 H GLY 82 -5.539 12.024 2.294 627 1HA GLY 82 2HA GLY 82 -3.849 13.896 1.547 628 2HA GLY 82 1HA GLY 82 -4.888 14.098 2.970 629 H GLY 83 H GLY 83 -1.589 13.672 1.881 630 1HA GLY 83 2HA GLY 83 0.297 14.479 2.838 631 2HA GLY 83 1HA GLY 83 -0.607 14.992 4.255 632 H LYS 84 HN LYS 84 -1.497 12.907 5.475 633 HA LYS 84 HA LYS 84 1.025 11.483 6.275 634 1HB LYS 84 2HB LYS 84 -1.477 12.097 7.891 635 2HB LYS 84 1HB LYS 84 0.036 11.439 8.519 636 1HG LYS 84 2HG LYS 84 -0.362 14.230 7.359 637 2HG LYS 84 1HG LYS 84 -0.155 13.787 9.055 638 1HD LYS 84 2HD LYS 84 2.127 12.866 8.506 639 2HD LYS 84 1HD LYS 84 1.933 13.469 6.846 640 1HE LYS 84 1HE LYS 84 1.646 15.779 7.712 641 2HE LYS 84 2HE LYS 84 1.873 15.184 9.369 642 1HZ LYS 84 1HZ LYS 84 3.880 16.070 8.460 643 2HZ LYS 84 2HZ LYS 84 3.845 15.008 7.201 644 3HZ LYS 84 3HZ LYS 84 4.057 14.456 8.740 645 H LYS 85 HN LYS 85 0.490 9.558 7.734 646 HA LYS 85 HA LYS 85 -0.879 7.543 6.081 647 1HB LYS 85 2HB LYS 85 1.484 7.273 7.060 648 2HB LYS 85 1HB LYS 85 0.695 7.136 8.639 649 1HG LYS 85 1HG LYS 85 -0.582 5.136 7.784 650 2HG LYS 85 2HG LYS 85 0.138 5.389 6.187 651 1HD LYS 85 2HD LYS 85 1.292 3.604 7.266 652 2HD LYS 85 1HD LYS 85 2.397 4.983 7.174 653 1HE LYS 85 1HE LYS 85 1.901 5.491 9.576 654 2HE LYS 85 2HE LYS 85 0.767 4.130 9.625 655 1HZ LYS 85 1HZ LYS 85 2.907 3.551 10.496 656 2HZ LYS 85 2HZ LYS 85 2.592 2.673 9.136 657 3HZ LYS 85 3HZ LYS 85 3.645 3.937 9.074 658 H CYS 86 H CYS 86 -2.424 6.133 7.103 659 HA CYS 86 HA CYS 86 -4.055 7.405 9.262 660 1HB CYS 86 2HB CYS 86 -5.188 6.997 7.102 661 2HB CYS 86 1HB CYS 86 -4.782 5.287 7.183 662 HG CYS 86 HG CYS 86 -6.985 7.051 8.671 663 H GLU 87 HN GLU 87 -3.348 4.117 8.054 664 HA GLU 87 HA GLU 87 -2.522 3.111 10.684 665 1HB GLU 87 1HB GLU 87 -4.977 2.117 9.154 666 2HB GLU 87 2HB GLU 87 -4.248 1.224 10.487 667 1HG GLU 87 1HG GLU 87 -5.381 4.036 10.868 668 2HG GLU 87 2HG GLU 87 -6.331 2.606 10.969 669 H THR 88 H THR 88 -2.110 0.530 10.275 670 HA THR 88 HA THR 88 -1.462 -0.058 7.536 671 HB THR 88 HB THR 88 0.530 1.234 8.184 672 HG1 THR 88 HG1 THR 88 0.630 -0.813 6.934 673 1HG2 THR 88 1HG2 THR 88 0.508 0.872 10.641 674 2HG2 THR 88 2HG2 THR 88 0.943 -0.834 10.396 675 3HG2 THR 88 3HG2 THR 88 2.073 0.445 9.928 676 H ILE 89 H ILE 89 -1.100 -2.240 7.179 677 HA ILE 89 HA ILE 89 -1.791 -4.114 9.378 678 HB ILE 89 HB ILE 89 -2.493 -4.332 6.421 679 1HG1 ILE 89 1HG1 ILE 89 -4.133 -3.279 8.756 680 2HG1 ILE 89 2HG1 ILE 89 -3.567 -2.367 7.365 681 1HG2 ILE 89 1HG2 ILE 89 -3.550 -5.798 8.884 682 2HG2 ILE 89 2HG2 ILE 89 -2.348 -6.459 7.756 683 3HG2 ILE 89 3HG2 ILE 89 -3.980 -6.110 7.188 684 1HD1 ILE 89 1HD1 ILE 89 -4.894 -3.827 5.845 685 2HD1 ILE 89 2HD1 ILE 89 -5.648 -4.559 7.287 686 3HD1 ILE 89 3HD1 ILE 89 -5.848 -2.827 6.947 687 H ILE 90 H ILE 90 0.058 -4.989 9.861 688 HA ILE 90 HA ILE 90 2.180 -5.641 7.882 689 HB ILE 90 HB ILE 90 2.088 -5.864 10.919 690 1HG1 ILE 90 2HG1 ILE 90 3.581 -3.891 9.129 691 2HG1 ILE 90 1HG1 ILE 90 2.086 -3.514 9.995 692 1HG2 ILE 90 1HG2 ILE 90 3.629 -7.542 9.921 693 2HG2 ILE 90 2HG2 ILE 90 4.536 -6.287 10.739 694 3HG2 ILE 90 3HG2 ILE 90 4.412 -6.264 8.970 695 1HD1 ILE 90 1HD1 ILE 90 3.879 -2.630 11.272 696 2HD1 ILE 90 2HD1 ILE 90 4.781 -4.148 11.241 697 3HD1 ILE 90 3HD1 ILE 90 3.256 -4.037 12.156 698 H GLY 91 H GLY 91 2.556 -7.733 7.189 699 1HA GLY 91 2HA GLY 91 2.622 -10.064 7.518 700 2HA GLY 91 1HA GLY 91 1.286 -10.004 8.670 701 H ALA 92 H ALA 92 1.578 -11.726 6.377 702 HA ALA 92 HA ALA 92 -0.055 -10.778 4.174 703 1HB ALA 92 1HB ALA 92 0.277 -13.069 3.342 704 2HB ALA 92 2HB ALA 92 1.815 -12.358 3.879 705 3HB ALA 92 3HB ALA 92 0.984 -13.553 4.897 706 H VAL 93 H VAL 93 -1.815 -10.178 5.922 707 HA VAL 93 HA VAL 93 -3.565 -12.444 6.612 708 HB VAL 93 HB VAL 93 -5.102 -10.802 7.464 709 1HG1 VAL 93 1HG2 VAL 93 -4.631 -8.403 7.450 710 2HG1 VAL 93 2HG2 VAL 93 -3.229 -8.650 6.388 711 3HG1 VAL 93 3HG2 VAL 93 -4.871 -9.018 5.811 712 1HG2 VAL 93 1HG1 VAL 93 -3.162 -11.502 8.855 713 2HG2 VAL 93 2HG1 VAL 93 -3.726 -9.867 9.240 714 3HG2 VAL 93 3HG1 VAL 93 -2.251 -10.088 8.283 715 HA PRO 94 HA PRO 94 -5.569 -12.642 2.683 716 1HB PRO 94 1HB PRO 94 -8.230 -12.667 4.074 717 2HB PRO 94 2HB PRO 94 -7.621 -13.790 2.833 718 1HG PRO 94 1HG PRO 94 -7.652 -14.541 5.456 719 2HG PRO 94 2HG PRO 94 -6.267 -14.947 4.402 720 1HD PRO 94 1HD PRO 94 -6.449 -12.752 6.463 721 2HD PRO 94 2HD PRO 94 -5.103 -13.852 6.060 722 H LYS 95 HN LYS 95 -6.646 -11.355 1.162 723 HA LYS 95 HA LYS 95 -6.610 -8.595 1.501 724 1HB LYS 95 2HB LYS 95 -6.556 -9.680 -0.679 725 2HB LYS 95 1HB LYS 95 -8.196 -10.277 -0.476 726 1HG LYS 95 1HG LYS 95 -8.154 -8.317 -1.954 727 2HG LYS 95 2HG LYS 95 -9.145 -8.081 -0.544 728 1HD LYS 95 1HD LYS 95 -8.052 -6.045 -0.912 729 2HD LYS 95 2HD LYS 95 -7.316 -6.696 0.525 730 1HE LYS 95 1HE LYS 95 -6.095 -6.817 -2.283 731 2HE LYS 95 2HE LYS 95 -5.763 -5.572 -1.077 732 1HZ LYS 95 1HZ LYS 95 -5.123 -8.411 -0.801 733 2HZ LYS 95 2HZ LYS 95 -4.942 -7.281 0.385 734 3HZ LYS 95 3HZ LYS 95 -4.076 -7.163 -1.009 735 H ALA 96 H ALA 96 -9.392 -10.786 1.615 736 HA ALA 96 HA ALA 96 -11.516 -9.072 2.076 737 1HB ALA 96 1HB ALA 96 -10.959 -11.677 3.572 738 2HB ALA 96 2HB ALA 96 -11.733 -11.530 1.977 739 3HB ALA 96 3HB ALA 96 -12.540 -10.882 3.418 740 H THR 97 H THR 97 -9.096 -10.097 4.539 741 HA THR 97 HA THR 97 -10.289 -8.803 6.771 742 HB THR 97 HB THR 97 -7.291 -9.084 6.583 743 HG1 THR 97 HG1 THR 97 -7.647 -10.868 5.531 744 1HG2 THR 97 1HG2 THR 97 -7.584 -10.148 8.762 745 2HG2 THR 97 2HG2 THR 97 -9.349 -10.128 8.576 746 3HG2 THR 97 3HG2 THR 97 -8.450 -8.597 8.734 747 H ILE 98 H ILE 98 -7.730 -7.887 4.457 748 HA ILE 98 HA ILE 98 -7.098 -5.328 5.534 749 HB ILE 98 HB ILE 98 -6.777 -6.622 2.811 750 1HG1 ILE 98 1HG1 ILE 98 -4.472 -5.641 4.427 751 2HG1 ILE 98 2HG1 ILE 98 -5.401 -6.938 5.172 752 1HG2 ILE 98 1HG2 ILE 98 -5.299 -4.723 2.191 753 2HG2 ILE 98 2HG2 ILE 98 -6.994 -4.253 2.286 754 3HG2 ILE 98 3HG2 ILE 98 -5.884 -3.823 3.605 755 1HD1 ILE 98 1HD1 ILE 98 -3.530 -7.800 3.800 756 2HD1 ILE 98 2HD1 ILE 98 -4.261 -7.068 2.355 757 3HD1 ILE 98 3HD1 ILE 98 -5.103 -8.366 3.225 758 H VAL 99 H VAL 99 -9.398 -6.201 2.873 759 HA VAL 99 HA VAL 99 -10.292 -3.623 2.272 760 HB VAL 99 HB VAL 99 -11.763 -6.298 2.296 761 1HG1 VAL 99 1HG1 VAL 99 -13.512 -4.616 2.369 762 2HG1 VAL 99 2HG1 VAL 99 -13.364 -5.172 0.702 763 3HG1 VAL 99 3HG1 VAL 99 -12.657 -3.612 1.175 764 1HG2 VAL 99 1HG2 VAL 99 -10.580 -4.617 0.042 765 2HG2 VAL 99 2HG2 VAL 99 -11.357 -6.209 -0.122 766 3HG2 VAL 99 3HG2 VAL 99 -9.819 -6.058 0.738 767 H GLN 100 H GLN 100 -11.779 -5.872 4.673 768 HA GLN 100 HA GLN 100 -13.708 -4.044 5.665 769 1HB GLN 100 2HB GLN 100 -12.231 -6.371 6.960 770 2HB GLN 100 1HB GLN 100 -13.562 -5.512 7.753 771 1HG GLN 100 1HG GLN 100 -15.133 -6.121 6.063 772 2HG GLN 100 2HG GLN 100 -13.880 -6.739 4.980 773 1HE2 GLN 100 1HE2 GLN 100 -12.601 -8.608 5.710 774 2HE2 GLN 100 2HE2 GLN 100 -13.396 -9.819 6.727 775 H THR 101 H THR 101 -10.379 -4.712 6.816 776 HA THR 101 HA THR 101 -10.392 -2.888 8.982 777 HB THR 101 HB THR 101 -8.051 -3.754 7.234 778 HG1 THR 101 HG1 THR 101 -9.124 -5.525 8.088 779 1HG2 THR 101 1HG2 THR 101 -8.198 -2.679 10.087 780 2HG2 THR 101 2HG2 THR 101 -6.757 -3.421 9.367 781 3HG2 THR 101 3HG2 THR 101 -7.397 -1.911 8.692 782 H VAL 102 H VAL 102 -9.484 -2.309 5.519 783 HA VAL 102 HA VAL 102 -8.663 0.407 5.912 784 HB VAL 102 HB VAL 102 -9.839 -1.026 3.549 785 1HG1 VAL 102 1HG1 VAL 102 -7.662 -1.406 2.724 786 2HG1 VAL 102 2HG1 VAL 102 -7.505 -1.782 4.447 787 3HG1 VAL 102 3HG1 VAL 102 -6.935 -0.230 3.834 788 1HG2 VAL 102 1HG2 VAL 102 -10.146 1.348 3.110 789 2HG2 VAL 102 2HG2 VAL 102 -8.771 0.790 2.153 790 3HG2 VAL 102 3HG2 VAL 102 -8.489 1.701 3.648 791 H GLU 103 HN GLU 103 -11.749 -1.044 4.853 792 HA GLU 103 HA GLU 103 -13.243 1.310 4.485 793 1HB GLU 103 1HB GLU 103 -14.000 -1.532 5.282 794 2HB GLU 103 2HB GLU 103 -15.204 -0.280 4.965 795 1HG GLU 103 1HG GLU 103 -14.357 0.087 2.720 796 2HG GLU 103 2HG GLU 103 -13.052 -1.077 2.946 797 H LYS 104 HN LYS 104 -12.720 -0.569 7.440 798 HA LYS 104 HA LYS 104 -14.425 0.811 9.210 799 1HB LYS 104 2HB LYS 104 -13.030 -1.197 9.749 800 2HB LYS 104 1HB LYS 104 -11.592 -0.168 9.690 801 1HG LYS 104 1HG LYS 104 -12.550 1.195 11.591 802 2HG LYS 104 2HG LYS 104 -13.793 -0.069 11.745 803 1HD LYS 104 2HD LYS 104 -11.863 -1.750 11.867 804 2HD LYS 104 1HD LYS 104 -10.748 -0.381 11.896 805 1HE LYS 104 2HE LYS 104 -12.930 -0.956 13.966 806 2HE LYS 104 1HE LYS 104 -11.196 -1.253 14.176 807 1HZ LYS 104 1HZ LYS 104 -11.851 0.789 15.183 808 2HZ LYS 104 2HZ LYS 104 -12.438 1.374 13.760 809 3HZ LYS 104 3HZ LYS 104 -10.823 1.092 13.931 810 H TYR 105 H TYR 105 -11.348 1.839 7.781 811 HA TYR 105 HA TYR 105 -11.196 4.270 9.493 812 1HB TYR 105 2HB TYR 105 -9.189 2.834 7.741 813 2HB TYR 105 1HB TYR 105 -8.832 4.226 8.773 814 HD1 TYR 105 HD1 TYR 105 -7.954 1.023 8.464 815 HD2 TYR 105 HD2 TYR 105 -10.122 3.435 11.299 816 HE1 TYR 105 HE1 TYR 105 -7.056 -0.345 10.336 817 HE2 TYR 105 HE2 TYR 105 -9.120 2.135 13.170 818 HH TYR 105 HH TYR 105 -6.920 0.839 13.408 819 H LEU 106 H LEU 106 -10.123 3.503 6.211 820 HA LEU 106 HA LEU 106 -9.926 4.594 4.282 821 1HB LEU 106 2HB LEU 106 -12.436 6.070 5.171 822 2HB LEU 106 1HB LEU 106 -11.771 6.057 3.546 823 HG LEU 106 HG LEU 106 -12.128 3.330 4.608 824 1HD1 LEU 106 1HD1 LEU 106 -13.104 2.969 2.397 825 2HD1 LEU 106 2HD1 LEU 106 -13.120 4.717 2.085 826 3HD1 LEU 106 3HD1 LEU 106 -11.575 3.854 2.252 827 1HD2 LEU 106 1HD2 LEU 106 -14.539 5.125 4.223 828 2HD2 LEU 106 2HD2 LEU 106 -13.982 4.402 5.749 829 3HD2 LEU 106 3HD2 LEU 106 -14.574 3.355 4.438 830 H ASN 107 H ASN 107 -10.878 6.979 6.699 831 HA ASN 107 HA ASN 107 -9.121 9.085 5.561 832 1HB ASN 107 1HB ASN 107 -11.353 9.754 6.230 833 2HB ASN 107 2HB ASN 107 -11.157 9.026 7.829 834 1HD2 ASN 107 2HD2 ASN 107 -9.165 9.880 9.058 835 2HD2 ASN 107 1HD2 ASN 107 -9.022 11.655 9.105 Start of MODEL 7 1 1H MET 1 1H MET 1 -0.263 -2.309 -10.811 2 2H MET 1 2H MET 1 0.479 -3.688 -11.366 3 3H MET 1 3H MET 1 -1.044 -3.731 -10.700 4 HA MET 1 HA MET 1 -0.295 -2.316 -13.164 5 1HB MET 1 1HB MET 1 -1.811 -3.972 -14.299 6 2HB MET 1 2HB MET 1 -0.236 -4.559 -13.776 7 1HG MET 1 2HG MET 1 -1.228 -5.705 -11.859 8 2HG MET 1 1HG MET 1 -2.849 -5.166 -12.335 9 1HE MET 1 1HE MET 1 -4.259 -6.132 -14.185 10 2HE MET 1 2HE MET 1 -3.091 -5.597 -15.422 11 3HE MET 1 3HE MET 1 -3.670 -7.275 -15.411 12 H GLU 2 HN GLU 2 -3.160 -3.514 -11.276 13 HA GLU 2 HA GLU 2 -4.815 -1.273 -12.223 14 1HB GLU 2 1HB GLU 2 -5.199 -3.278 -9.960 15 2HB GLU 2 2HB GLU 2 -6.401 -2.112 -10.516 16 1HG GLU 2 1HG GLU 2 -6.492 -3.214 -12.717 17 2HG GLU 2 2HG GLU 2 -5.255 -4.377 -12.214 18 H ALA 3 H ALA 3 -3.071 -2.430 -9.371 19 HA ALA 3 HA ALA 3 -3.135 0.147 -7.966 20 1HB ALA 3 1HB ALA 3 -3.053 -2.014 -6.728 21 2HB ALA 3 2HB ALA 3 -1.518 -2.405 -7.522 22 3HB ALA 3 3HB ALA 3 -1.609 -1.030 -6.399 23 H GLY 4 H GLY 4 -1.338 1.672 -8.064 24 1HA GLY 4 2HA GLY 4 0.298 1.428 -10.479 25 2HA GLY 4 1HA GLY 4 0.334 2.731 -9.287 26 H ALA 5 H ALA 5 2.726 1.864 -10.301 27 HA ALA 5 HA ALA 5 3.986 0.212 -8.146 28 1HB ALA 5 1HB ALA 5 4.382 -0.658 -10.413 29 2HB ALA 5 2HB ALA 5 5.871 0.003 -9.708 30 3HB ALA 5 3HB ALA 5 4.983 0.934 -10.932 31 H VAL 6 H VAL 6 5.360 1.386 -6.759 32 HA VAL 6 HA VAL 6 6.094 4.155 -7.561 33 HB VAL 6 HB VAL 6 5.469 5.104 -5.494 34 1HG1 VAL 6 1HG2 VAL 6 4.602 2.373 -4.486 35 2HG1 VAL 6 2HG2 VAL 6 6.028 3.296 -3.942 36 3HG1 VAL 6 3HG2 VAL 6 4.402 3.915 -3.641 37 1HG2 VAL 6 1HG1 VAL 6 3.567 4.806 -7.083 38 2HG2 VAL 6 2HG1 VAL 6 3.060 4.815 -5.376 39 3HG2 VAL 6 3HG1 VAL 6 3.178 3.281 -6.251 40 H ASN 7 H ASN 7 7.664 5.051 -5.910 41 HA ASN 7 HA ASN 7 9.480 3.227 -4.580 42 1HB ASN 7 1HB ASN 7 10.128 4.768 -7.162 43 2HB ASN 7 2HB ASN 7 11.406 4.428 -6.020 44 1HD2 ASN 7 2HD2 ASN 7 11.425 2.069 -5.180 45 2HD2 ASN 7 1HD2 ASN 7 11.320 0.860 -6.462 46 H ASP 8 HN ASP 8 11.361 4.908 -3.838 47 HA ASP 8 HA ASP 8 10.221 6.669 -2.028 48 1HB ASP 8 2HB ASP 8 12.619 5.935 -2.122 49 2HB ASP 8 1HB ASP 8 12.915 7.067 -3.434 50 H ASP 9 HN ASP 9 11.617 7.594 -5.109 51 HA ASP 9 HA ASP 9 11.191 10.305 -5.283 52 1HB ASP 9 2HB ASP 9 12.355 8.910 -6.962 53 2HB ASP 9 1HB ASP 9 10.835 8.215 -7.497 54 H THR 10 H THR 10 8.934 7.837 -6.530 55 HA THR 10 HA THR 10 6.887 9.770 -7.189 56 HB THR 10 HB THR 10 5.620 7.549 -7.632 57 HG1 THR 10 HG1 THR 10 7.307 5.850 -7.874 58 1HG2 THR 10 1HG2 THR 10 6.795 8.876 -9.380 59 2HG2 THR 10 2HG2 THR 10 8.316 8.054 -8.988 60 3HG2 THR 10 3HG2 THR 10 6.958 7.136 -9.672 61 H PHE 11 H PHE 11 7.247 7.321 -4.661 62 HA PHE 11 HA PHE 11 4.895 7.236 -3.320 63 1HB PHE 11 2HB PHE 11 6.985 6.066 -2.718 64 2HB PHE 11 1HB PHE 11 7.655 7.532 -2.045 65 HD1 PHE 11 HD1 PHE 11 6.639 8.524 0.058 66 HD2 PHE 11 HD2 PHE 11 5.572 4.626 -1.455 67 HE1 PHE 11 HE1 PHE 11 5.756 7.895 2.276 68 HE2 PHE 11 HE2 PHE 11 4.791 3.971 0.801 69 HZ PHE 11 HZ PHE 11 4.795 5.632 2.650 70 H LYS 12 HN LYS 12 7.401 9.633 -2.853 71 HA LYS 12 HA LYS 12 6.438 11.368 -0.948 72 1HB LYS 12 1HB LYS 12 7.794 11.821 -3.612 73 2HB LYS 12 2HB LYS 12 7.265 13.204 -2.676 74 1HG LYS 12 2HG LYS 12 8.628 12.444 -0.743 75 2HG LYS 12 1HG LYS 12 8.956 10.894 -1.544 76 1HD LYS 12 1HD LYS 12 10.236 12.038 -3.308 77 2HD LYS 12 2HD LYS 12 9.946 13.606 -2.520 78 1HE LYS 12 2HE LYS 12 11.096 12.788 -0.468 79 2HE LYS 12 1HE LYS 12 11.343 11.206 -1.226 80 1HZ LYS 12 1HZ LYS 12 13.284 12.558 -1.376 81 2HZ LYS 12 2HZ LYS 12 12.688 12.268 -2.884 82 3HZ LYS 12 3HZ LYS 12 12.469 13.744 -2.181 83 H ASN 13 H ASN 13 5.376 11.469 -4.401 84 HA ASN 13 HA ASN 13 3.374 13.548 -3.678 85 1HB ASN 13 2HB ASN 13 4.742 13.594 -5.840 86 2HB ASN 13 1HB ASN 13 3.788 12.233 -6.389 87 1HD2 ASN 13 1HD2 ASN 13 3.382 15.559 -4.918 88 2HD2 ASN 13 2HD2 ASN 13 1.901 15.875 -5.798 89 H VAL 14 H VAL 14 3.670 10.317 -4.972 90 HA VAL 14 HA VAL 14 0.950 10.060 -5.610 91 HB VAL 14 HB VAL 14 3.106 7.935 -5.174 92 1HG1 VAL 14 1HG1 VAL 14 3.485 9.556 -7.056 93 2HG1 VAL 14 2HG1 VAL 14 1.889 9.145 -7.704 94 3HG1 VAL 14 3HG1 VAL 14 3.171 7.921 -7.650 95 1HG2 VAL 14 1HG2 VAL 14 1.651 6.459 -6.610 96 2HG2 VAL 14 2HG2 VAL 14 1.015 6.710 -4.979 97 3HG2 VAL 14 3HG2 VAL 14 0.313 7.588 -6.356 98 H VAL 15 H VAL 15 2.694 9.388 -2.641 99 HA VAL 15 HA VAL 15 0.273 8.269 -1.327 100 HB VAL 15 HB VAL 15 3.184 8.030 -0.479 101 1HG1 VAL 15 1HG1 VAL 15 0.695 6.558 0.453 102 2HG1 VAL 15 2HG1 VAL 15 1.561 7.813 1.365 103 3HG1 VAL 15 3HG1 VAL 15 2.362 6.286 0.998 104 1HG2 VAL 15 1HG2 VAL 15 1.459 6.022 -1.977 105 2HG2 VAL 15 2HG2 VAL 15 2.882 6.848 -2.613 106 3HG2 VAL 15 3HG2 VAL 15 3.054 5.708 -1.279 107 H LEU 16 H LEU 16 3.145 10.284 -0.405 108 HA LEU 16 HA LEU 16 1.730 11.204 1.949 109 1HB LEU 16 1HB LEU 16 4.246 12.393 0.732 110 2HB LEU 16 2HB LEU 16 3.618 12.636 2.353 111 HG LEU 16 HG LEU 16 4.587 9.976 1.204 112 1HD1 LEU 16 1HD1 LEU 16 5.852 11.880 3.213 113 2HD1 LEU 16 2HD1 LEU 16 6.385 11.627 1.537 114 3HD1 LEU 16 3HD1 LEU 16 6.501 10.303 2.709 115 1HD2 LEU 16 1HD2 LEU 16 3.608 10.762 3.991 116 2HD2 LEU 16 2HD2 LEU 16 4.483 9.264 3.629 117 3HD2 LEU 16 3HD2 LEU 16 2.900 9.545 2.903 118 H GLU 17 HN GLU 17 2.957 13.232 -0.756 119 HA GLU 17 HA GLU 17 0.992 15.336 -0.112 120 1HB GLU 17 2HB GLU 17 3.419 15.738 -0.668 121 2HB GLU 17 1HB GLU 17 3.095 15.124 -2.284 122 1HG GLU 17 2HG GLU 17 1.381 17.051 -2.517 123 2HG GLU 17 1HG GLU 17 2.044 17.668 -1.000 124 H SER 18 H SER 18 -0.510 13.226 -0.632 125 HA SER 18 HA SER 18 -1.183 13.060 -3.517 126 1HB SER 18 2HB SER 18 -2.564 11.146 -2.767 127 2HB SER 18 1HB SER 18 -0.885 11.002 -2.261 128 HG SER 18 HG SER 18 -1.491 11.057 -0.259 129 H SER 19 H SER 19 -3.964 12.410 -1.913 130 HA SER 19 HA SER 19 -5.030 15.008 -1.403 131 1HB SER 19 2HB SER 19 -6.673 15.001 -3.353 132 2HB SER 19 1HB SER 19 -5.004 15.417 -3.772 133 HG SER 19 HG SER 19 -4.694 13.309 -4.508 134 H VAL 20 H VAL 20 -6.484 12.333 -3.132 135 HA VAL 20 HA VAL 20 -8.380 11.732 -0.972 136 HB VAL 20 HB VAL 20 -9.232 10.027 -2.537 137 1HG1 VAL 20 1HG2 VAL 20 -7.143 9.226 -3.555 138 2HG1 VAL 20 2HG2 VAL 20 -6.952 10.771 -4.410 139 3HG1 VAL 20 3HG2 VAL 20 -8.326 9.711 -4.770 140 1HG2 VAL 20 1HG1 VAL 20 -9.996 11.491 -4.306 141 2HG2 VAL 20 2HG1 VAL 20 -8.683 12.641 -3.996 142 3HG2 VAL 20 3HG1 VAL 20 -9.952 12.388 -2.778 143 HA PRO 21 HA PRO 21 -6.143 8.607 1.124 144 1HB PRO 21 1HB PRO 21 -8.288 6.631 0.260 145 2HB PRO 21 2HB PRO 21 -7.520 6.762 1.871 146 1HG PRO 21 1HG PRO 21 -9.922 7.865 1.411 147 2HG PRO 21 2HG PRO 21 -8.705 8.820 2.306 148 1HD PRO 21 1HD PRO 21 -9.562 9.092 -0.562 149 2HD PRO 21 2HD PRO 21 -9.103 10.348 0.617 150 H VAL 22 H VAL 22 -5.022 6.549 0.996 151 HA VAL 22 HA VAL 22 -4.381 5.563 -1.695 152 HB VAL 22 HB VAL 22 -2.278 6.633 0.221 153 1HG1 VAL 22 1HG1 VAL 22 -1.572 4.860 -1.459 154 2HG1 VAL 22 2HG1 VAL 22 -0.697 6.375 -1.505 155 3HG1 VAL 22 3HG1 VAL 22 -1.912 6.059 -2.730 156 1HG2 VAL 22 1HG2 VAL 22 -3.463 8.096 -2.165 157 2HG2 VAL 22 2HG2 VAL 22 -3.442 8.620 -0.468 158 3HG2 VAL 22 3HG2 VAL 22 -1.943 8.537 -1.380 159 H LEU 23 H LEU 23 -3.556 3.450 -1.606 160 HA LEU 23 HA LEU 23 -2.940 2.266 1.093 161 1HB LEU 23 1HB LEU 23 -5.133 1.533 0.613 162 2HB LEU 23 2HB LEU 23 -4.737 0.932 -0.991 163 HG LEU 23 HG LEU 23 -3.304 -0.118 1.484 164 1HD1 LEU 23 1HD1 LEU 23 -3.400 -2.291 0.128 165 2HD1 LEU 23 2HD1 LEU 23 -2.399 -1.049 -0.601 166 3HD1 LEU 23 3HD1 LEU 23 -4.047 -1.352 -1.211 167 1HD2 LEU 23 1HD2 LEU 23 -5.986 -1.139 0.465 168 2HD2 LEU 23 2HD2 LEU 23 -5.006 -1.863 1.751 169 3HD2 LEU 23 3HD2 LEU 23 -5.713 -0.271 1.994 170 H VAL 24 H VAL 24 -0.754 2.240 0.874 171 HA VAL 24 HA VAL 24 0.403 1.335 -1.748 172 HB VAL 24 HB VAL 24 1.265 3.418 -1.225 173 1HG1 VAL 24 1HG2 VAL 24 1.894 2.429 1.566 174 2HG1 VAL 24 2HG2 VAL 24 2.436 3.960 0.857 175 3HG1 VAL 24 3HG2 VAL 24 0.712 3.685 1.113 176 1HG2 VAL 24 1HG1 VAL 24 2.847 1.612 -1.981 177 2HG2 VAL 24 2HG1 VAL 24 3.341 1.394 -0.287 178 3HG2 VAL 24 3HG1 VAL 24 3.617 2.942 -1.101 179 H ASP 25 HN ASP 25 1.226 -0.671 -1.825 180 HA ASP 25 HA ASP 25 1.661 -2.211 0.698 181 1HB ASP 25 1HB ASP 25 0.153 -3.311 -0.856 182 2HB ASP 25 2HB ASP 25 1.316 -3.102 -2.169 183 H PHE 26 H PHE 26 3.723 -2.230 1.395 184 HA PHE 26 HA PHE 26 5.975 -1.559 -0.417 185 1HB PHE 26 1HB PHE 26 5.750 -2.342 2.510 186 2HB PHE 26 2HB PHE 26 7.275 -2.127 1.671 187 HD1 PHE 26 HD1 PHE 26 4.033 -0.148 2.188 188 HD2 PHE 26 HD2 PHE 26 8.347 -0.096 1.905 189 HE1 PHE 26 HE1 PHE 26 4.059 2.208 2.870 190 HE2 PHE 26 HE2 PHE 26 8.360 2.238 2.656 191 HZ PHE 26 HZ PHE 26 6.215 3.375 3.268 192 H TRP 27 H TRP 27 6.519 -3.129 -1.820 193 HA TRP 27 HA TRP 27 6.453 -5.987 -0.887 194 1HB TRP 27 2HB TRP 27 5.584 -6.697 -2.959 195 2HB TRP 27 1HB TRP 27 4.565 -5.363 -2.483 196 HD1 TRP 27 HD1 TRP 27 5.341 -2.945 -3.763 197 HE1 TRP 27 HE1 TRP 27 6.411 -2.517 -6.085 198 HE3 TRP 27 HE3 TRP 27 6.640 -7.743 -4.943 199 HZ2 TRP 27 HZ2 TRP 27 7.881 -4.067 -8.037 200 HZ3 TRP 27 HZ3 TRP 27 7.741 -8.249 -7.078 201 HH2 TRP 27 HH2 TRP 27 8.313 -6.426 -8.672 202 H ALA 28 H ALA 28 7.613 -7.268 -2.826 203 HA ALA 28 HA ALA 28 9.753 -5.983 -4.172 204 1HB ALA 28 1HB ALA 28 10.816 -5.865 -1.909 205 2HB ALA 28 2HB ALA 28 11.689 -6.960 -2.991 206 3HB ALA 28 3HB ALA 28 10.612 -7.629 -1.757 207 HA PRO 29 HA PRO 29 9.379 -10.062 -6.070 208 1HB PRO 29 1HB PRO 29 11.349 -10.069 -7.776 209 2HB PRO 29 2HB PRO 29 9.882 -9.079 -8.101 210 1HG PRO 29 1HG PRO 29 12.562 -8.100 -7.051 211 2HG PRO 29 2HG PRO 29 11.488 -7.298 -8.227 212 1HD PRO 29 2HD PRO 29 11.511 -6.636 -5.531 213 2HD PRO 29 1HD PRO 29 10.054 -6.538 -6.519 214 H TRP 30 H TRP 30 9.950 -11.529 -4.776 215 HA TRP 30 HA TRP 30 11.685 -13.294 -4.272 216 1HB TRP 30 1HB TRP 30 13.356 -12.721 -2.606 217 2HB TRP 30 2HB TRP 30 13.675 -11.929 -4.127 218 HD1 TRP 30 HD1 TRP 30 14.470 -9.549 -3.892 219 HE1 TRP 30 HE1 TRP 30 14.488 -7.708 -2.119 220 HE3 TRP 30 HE3 TRP 30 11.853 -11.957 -0.200 221 HZ2 TRP 30 HZ2 TRP 30 13.319 -7.257 0.477 222 HZ3 TRP 30 HZ3 TRP 30 11.246 -10.761 1.869 223 HH2 TRP 30 HH2 TRP 30 11.856 -8.376 2.171 224 H CYS 31 H CYS 31 9.911 -10.639 -2.847 225 HA CYS 31 HA CYS 31 9.428 -11.981 -0.269 226 1HB CYS 31 2HB CYS 31 9.387 -9.545 -0.384 227 2HB CYS 31 1HB CYS 31 8.060 -9.608 -1.549 228 H GLY 32 H GLY 32 8.775 -14.052 -1.183 229 1HA GLY 32 1HA GLY 32 6.670 -14.791 -2.699 230 2HA GLY 32 2HA GLY 32 7.010 -15.608 -1.172 231 HA PRO 33 HA PRO 33 3.365 -14.121 0.901 232 1HB PRO 33 2HB PRO 33 5.088 -12.065 2.330 233 2HB PRO 33 1HB PRO 33 3.734 -13.012 3.020 234 1HG PRO 33 2HG PRO 33 6.254 -13.842 3.421 235 2HG PRO 33 1HG PRO 33 5.027 -15.017 2.853 236 1HD PRO 33 1HD PRO 33 7.124 -13.516 1.231 237 2HD PRO 33 2HD PRO 33 6.692 -15.248 1.141 238 H CYS 34 H CYS 34 5.381 -11.513 -0.483 239 HA CYS 34 HA CYS 34 3.139 -9.631 -0.605 240 1HB CYS 34 1HB CYS 34 5.738 -9.433 -2.126 241 2HB CYS 34 2HB CYS 34 4.569 -8.214 -1.700 242 H ARG 35 HN ARG 35 5.098 -11.711 -2.750 243 HA ARG 35 HA ARG 35 4.123 -11.009 -5.249 244 1HB ARG 35 2HB ARG 35 6.026 -12.543 -4.694 245 2HB ARG 35 1HB ARG 35 4.889 -13.799 -4.259 246 1HG ARG 35 1HG ARG 35 5.831 -14.168 -6.457 247 2HG ARG 35 2HG ARG 35 4.076 -14.030 -6.519 248 1HD ARG 35 1HD ARG 35 5.881 -11.648 -7.116 249 2HD ARG 35 2HD ARG 35 5.496 -12.880 -8.338 250 HE ARG 35 HE ARG 35 3.076 -11.974 -7.119 251 1HH1 ARG 35 1HH1 ARG 35 5.573 -10.893 -9.373 252 2HH1 ARG 35 2HH1 ARG 35 4.483 -9.943 -10.346 253 1HH2 ARG 35 1HH2 ARG 35 1.648 -10.779 -8.371 254 2HH2 ARG 35 2HH2 ARG 35 2.191 -9.866 -9.756 255 H ILE 36 H ILE 36 2.950 -13.552 -3.089 256 HA ILE 36 HA ILE 36 0.729 -14.322 -4.770 257 HB ILE 36 HB ILE 36 -0.104 -15.568 -2.852 258 1HG1 ILE 36 1HG1 ILE 36 1.948 -13.977 -1.258 259 2HG1 ILE 36 2HG1 ILE 36 0.184 -13.965 -1.078 260 1HG2 ILE 36 1HG2 ILE 36 2.948 -15.728 -2.955 261 2HG2 ILE 36 2HG2 ILE 36 1.805 -17.032 -2.588 262 3HG2 ILE 36 3HG2 ILE 36 1.871 -16.351 -4.216 263 1HD1 ILE 36 1HD1 ILE 36 2.045 -16.240 -0.408 264 2HD1 ILE 36 2HD1 ILE 36 0.258 -16.345 -0.412 265 3HD1 ILE 36 3HD1 ILE 36 1.090 -15.226 0.694 266 H ILE 37 H ILE 37 0.996 -11.881 -2.210 267 HA ILE 37 HA ILE 37 -1.811 -11.201 -2.209 268 HB ILE 37 HB ILE 37 0.731 -9.982 -1.075 269 1HG1 ILE 37 2HG1 ILE 37 -0.223 -12.048 -0.035 270 2HG1 ILE 37 1HG1 ILE 37 -0.101 -10.650 1.020 271 1HG2 ILE 37 1HG2 ILE 37 -0.453 -8.021 -1.353 272 2HG2 ILE 37 2HG2 ILE 37 -0.843 -8.497 0.290 273 3HG2 ILE 37 3HG2 ILE 37 -2.040 -8.764 -0.998 274 1HD1 ILE 37 1HD1 ILE 37 -2.672 -11.682 -0.268 275 2HD1 ILE 37 2HD1 ILE 37 -2.550 -10.257 0.789 276 3HD1 ILE 37 3HD1 ILE 37 -2.178 -11.867 1.416 277 H ALA 38 H ALA 38 0.988 -9.808 -3.960 278 HA ALA 38 HA ALA 38 0.132 -7.480 -4.894 279 1HB ALA 38 1HB ALA 38 2.241 -8.448 -5.531 280 2HB ALA 38 2HB ALA 38 1.461 -9.662 -6.548 281 3HB ALA 38 3HB ALA 38 1.388 -7.959 -7.005 282 HA PRO 39 HA PRO 39 -2.733 -9.050 -8.452 283 1HB PRO 39 2HB PRO 39 -3.819 -11.626 -7.405 284 2HB PRO 39 1HB PRO 39 -3.297 -11.228 -9.063 285 1HG PRO 39 2HG PRO 39 -1.796 -12.861 -7.458 286 2HG PRO 39 1HG PRO 39 -1.012 -11.649 -8.520 287 1HD PRO 39 1HD PRO 39 -1.765 -11.319 -5.594 288 2HD PRO 39 2HD PRO 39 -0.161 -11.094 -6.345 289 H VAL 40 H VAL 40 -3.258 -9.978 -5.074 290 HA VAL 40 HA VAL 40 -6.080 -9.403 -4.972 291 HB VAL 40 HB VAL 40 -4.143 -9.511 -2.620 292 1HG1 VAL 40 1HG1 VAL 40 -6.094 -10.230 -1.414 293 2HG1 VAL 40 2HG1 VAL 40 -7.080 -10.163 -2.899 294 3HG1 VAL 40 3HG1 VAL 40 -6.399 -8.671 -2.204 295 1HG2 VAL 40 1HG2 VAL 40 -4.755 -11.932 -2.460 296 2HG2 VAL 40 2HG2 VAL 40 -5.542 -11.824 -4.048 297 3HG2 VAL 40 3HG2 VAL 40 -3.786 -11.609 -3.897 298 H VAL 41 H VAL 41 -3.012 -7.705 -4.170 299 HA VAL 41 HA VAL 41 -4.148 -5.271 -3.240 300 HB VAL 41 HB VAL 41 -1.586 -5.585 -4.890 301 1HG1 VAL 41 1HG1 VAL 41 -0.427 -5.686 -2.728 302 2HG1 VAL 41 2HG1 VAL 41 -1.991 -5.720 -1.877 303 3HG1 VAL 41 3HG1 VAL 41 -1.518 -7.044 -2.955 304 1HG2 VAL 41 1HG2 VAL 41 -2.237 -3.255 -4.733 305 2HG2 VAL 41 2HG2 VAL 41 -2.527 -3.414 -2.980 306 3HG2 VAL 41 3HG2 VAL 41 -0.888 -3.542 -3.633 307 H ASP 42 HN ASP 42 -3.303 -6.311 -6.570 308 HA ASP 42 HA ASP 42 -4.251 -3.979 -7.893 309 1HB ASP 42 1HB ASP 42 -3.930 -6.873 -8.767 310 2HB ASP 42 2HB ASP 42 -4.546 -5.645 -9.864 311 H GLU 43 HN GLU 43 -6.103 -7.107 -7.352 312 HA GLU 43 HA GLU 43 -8.405 -6.010 -8.620 313 1HB GLU 43 1HB GLU 43 -9.502 -7.899 -8.036 314 2HB GLU 43 2HB GLU 43 -7.830 -8.453 -8.053 315 1HG GLU 43 2HG GLU 43 -7.898 -8.054 -5.467 316 2HG GLU 43 1HG GLU 43 -9.642 -7.896 -5.667 317 H ILE 44 H ILE 44 -7.354 -5.936 -5.193 318 HA ILE 44 HA ILE 44 -9.677 -4.671 -4.140 319 HB ILE 44 HB ILE 44 -6.741 -4.641 -3.325 320 1HG1 ILE 44 2HG1 ILE 44 -9.268 -5.946 -2.200 321 2HG1 ILE 44 1HG1 ILE 44 -8.040 -6.790 -3.108 322 1HG2 ILE 44 1HG2 ILE 44 -9.084 -3.489 -1.763 323 2HG2 ILE 44 2HG2 ILE 44 -7.815 -2.518 -2.549 324 3HG2 ILE 44 3HG2 ILE 44 -7.391 -3.582 -1.227 325 1HD1 ILE 44 1HD1 ILE 44 -7.729 -5.562 -0.348 326 2HD1 ILE 44 2HD1 ILE 44 -7.633 -7.259 -0.787 327 3HD1 ILE 44 3HD1 ILE 44 -6.353 -6.152 -1.317 328 H ALA 45 H ALA 45 -6.721 -3.309 -5.696 329 HA ALA 45 HA ALA 45 -7.429 -0.600 -5.528 330 1HB ALA 45 1HB ALA 45 -6.013 -0.224 -7.403 331 2HB ALA 45 2HB ALA 45 -6.240 -1.828 -8.053 332 3HB ALA 45 3HB ALA 45 -5.312 -1.638 -6.559 333 H GLY 46 H GLY 46 -8.322 -3.005 -8.086 334 1HA GLY 46 1HA GLY 46 -9.951 -1.349 -9.657 335 2HA GLY 46 2HA GLY 46 -10.196 -3.094 -9.431 336 H GLU 47 HN GLU 47 -10.892 -3.277 -6.760 337 HA GLU 47 HA GLU 47 -13.636 -2.591 -6.793 338 1HB GLU 47 1HB GLU 47 -11.770 -3.442 -4.547 339 2HB GLU 47 2HB GLU 47 -13.516 -3.291 -4.378 340 1HG GLU 47 1HG GLU 47 -13.888 -4.991 -6.104 341 2HG GLU 47 2HG GLU 47 -12.154 -5.154 -6.374 342 H TYR 48 H TYR 48 -10.955 -0.970 -5.081 343 HA TYR 48 HA TYR 48 -12.921 1.137 -4.150 344 1HB TYR 48 2HB TYR 48 -10.336 0.160 -2.900 345 2HB TYR 48 1HB TYR 48 -11.377 1.424 -2.246 346 HD1 TYR 48 HD1 TYR 48 -13.749 0.901 -1.558 347 HD2 TYR 48 HD2 TYR 48 -10.905 -2.177 -2.550 348 HE1 TYR 48 HE1 TYR 48 -15.299 -0.812 -0.676 349 HE2 TYR 48 HE2 TYR 48 -12.491 -3.901 -1.733 350 HH TYR 48 HH TYR 48 -15.598 -3.066 -0.200 351 H LYS 49 HN LYS 49 -10.697 0.984 -6.517 352 HA LYS 49 HA LYS 49 -8.884 2.876 -6.504 353 1HB LYS 49 1HB LYS 49 -10.618 1.724 -8.519 354 2HB LYS 49 2HB LYS 49 -10.374 3.424 -8.914 355 1HG LYS 49 1HG LYS 49 -7.956 3.173 -8.842 356 2HG LYS 49 2HG LYS 49 -8.110 1.494 -8.298 357 1HD LYS 49 1HD LYS 49 -9.427 1.008 -10.420 358 2HD LYS 49 2HD LYS 49 -8.985 2.622 -10.999 359 1HE LYS 49 2HE LYS 49 -7.044 0.395 -10.197 360 2HE LYS 49 1HE LYS 49 -7.471 0.822 -11.860 361 1HZ LYS 49 1HZ LYS 49 -6.472 2.937 -11.552 362 2HZ LYS 49 2HZ LYS 49 -6.178 2.640 -9.955 363 3HZ LYS 49 3HZ LYS 49 -5.394 1.763 -11.099 364 H ASP 50 HN ASP 50 -12.285 3.603 -6.908 365 HA ASP 50 HA ASP 50 -12.701 6.147 -7.484 366 1HB ASP 50 2HB ASP 50 -14.389 4.500 -6.712 367 2HB ASP 50 1HB ASP 50 -13.862 4.695 -5.048 368 H LYS 51 HN LYS 51 -11.979 5.225 -4.161 369 HA LYS 51 HA LYS 51 -11.132 8.053 -3.495 370 1HB LYS 51 1HB LYS 51 -12.311 5.838 -1.784 371 2HB LYS 51 2HB LYS 51 -11.639 7.338 -1.131 372 1HG LYS 51 1HG LYS 51 -13.234 8.693 -2.336 373 2HG LYS 51 2HG LYS 51 -13.948 7.285 -3.121 374 1HD LYS 51 2HD LYS 51 -13.794 7.631 -0.090 375 2HD LYS 51 1HD LYS 51 -15.153 8.236 -1.039 376 1HE LYS 51 2HE LYS 51 -14.309 5.298 -0.965 377 2HE LYS 51 1HE LYS 51 -15.575 6.016 0.034 378 1HZ LYS 51 1HZ LYS 51 -16.452 4.978 -1.924 379 2HZ LYS 51 2HZ LYS 51 -16.762 6.595 -1.931 380 3HZ LYS 51 3HZ LYS 51 -15.594 5.982 -2.910 381 H LEU 52 H LEU 52 -10.261 4.642 -3.376 382 HA LEU 52 HA LEU 52 -7.913 5.223 -1.676 383 1HB LEU 52 1HB LEU 52 -9.636 3.379 -1.209 384 2HB LEU 52 2HB LEU 52 -8.986 2.557 -2.629 385 HG LEU 52 HG LEU 52 -6.672 2.750 -1.492 386 1HD1 LEU 52 1HD1 LEU 52 -8.487 3.452 0.872 387 2HD1 LEU 52 2HD1 LEU 52 -6.808 2.922 1.036 388 3HD1 LEU 52 3HD1 LEU 52 -7.159 4.437 0.224 389 1HD2 LEU 52 1HD2 LEU 52 -8.926 1.110 -0.227 390 2HD2 LEU 52 2HD2 LEU 52 -7.198 0.746 -0.082 391 3HD2 LEU 52 3HD2 LEU 52 -7.981 0.659 -1.663 392 H LYS 53 HN LYS 53 -6.264 5.993 -2.883 393 HA LYS 53 HA LYS 53 -5.699 5.018 -5.566 394 1HB LYS 53 1HB LYS 53 -5.256 7.335 -4.384 395 2HB LYS 53 2HB LYS 53 -3.755 6.609 -3.868 396 1HG LYS 53 2HG LYS 53 -4.750 6.895 -6.743 397 2HG LYS 53 1HG LYS 53 -3.554 7.922 -5.943 398 1HD LYS 53 2HD LYS 53 -2.028 5.977 -5.686 399 2HD LYS 53 1HD LYS 53 -3.191 4.945 -6.549 400 1HE LYS 53 1HE LYS 53 -3.054 6.433 -8.534 401 2HE LYS 53 2HE LYS 53 -1.881 7.460 -7.688 402 1HZ LYS 53 1HZ LYS 53 -0.410 5.592 -7.588 403 2HZ LYS 53 2HZ LYS 53 -1.501 4.630 -8.363 404 3HZ LYS 53 3HZ LYS 53 -0.827 5.913 -9.149 405 H CYS 54 H CYS 54 -5.460 2.750 -5.258 406 HA CYS 54 HA CYS 54 -3.654 1.746 -3.256 407 1HB CYS 54 1HB CYS 54 -5.594 0.471 -3.988 408 2HB CYS 54 2HB CYS 54 -4.869 0.356 -5.617 409 HG CYS 54 HG CYS 54 -3.177 -0.390 -2.912 410 H VAL 55 H VAL 55 -1.459 1.092 -3.466 411 HA VAL 55 HA VAL 55 -0.199 1.064 -6.102 412 HB VAL 55 HB VAL 55 1.601 2.642 -4.648 413 1HG1 VAL 55 1HG1 VAL 55 0.540 4.565 -3.800 414 2HG1 VAL 55 2HG1 VAL 55 -0.229 3.203 -2.974 415 3HG1 VAL 55 3HG1 VAL 55 -1.064 4.025 -4.310 416 1HG2 VAL 55 1HG2 VAL 55 1.153 2.829 -6.996 417 2HG2 VAL 55 2HG2 VAL 55 -0.501 3.384 -6.710 418 3HG2 VAL 55 3HG2 VAL 55 0.879 4.405 -6.262 419 H LYS 56 HN LYS 56 2.144 0.556 -5.920 420 HA LYS 56 HA LYS 56 2.741 -1.237 -3.634 421 1HB LYS 56 1HB LYS 56 2.118 -1.795 -6.430 422 2HB LYS 56 2HB LYS 56 3.727 -2.393 -6.039 423 1HG LYS 56 1HG LYS 56 2.810 -3.573 -4.038 424 2HG LYS 56 2HG LYS 56 1.198 -2.950 -4.429 425 1HD LYS 56 2HD LYS 56 2.820 -4.800 -6.237 426 2HD LYS 56 1HD LYS 56 1.592 -5.328 -5.073 427 1HE LYS 56 1HE LYS 56 -0.091 -3.846 -6.246 428 2HE LYS 56 2HE LYS 56 1.125 -3.543 -7.504 429 1HZ LYS 56 1HZ LYS 56 -0.025 -6.136 -6.753 430 2HZ LYS 56 2HZ LYS 56 -0.310 -5.315 -8.137 431 3HZ LYS 56 3HZ LYS 56 1.190 -5.932 -7.853 432 H LEU 57 H LEU 57 4.646 -0.600 -2.696 433 HA LEU 57 HA LEU 57 6.607 0.935 -4.341 434 1HB LEU 57 2HB LEU 57 6.006 1.928 -2.196 435 2HB LEU 57 1HB LEU 57 6.522 0.501 -1.353 436 HG LEU 57 HG LEU 57 8.634 1.572 -3.104 437 1HD1 LEU 57 1HD2 LEU 57 8.551 1.104 -0.104 438 2HD1 LEU 57 2HD2 LEU 57 8.813 -0.217 -1.249 439 3HD1 LEU 57 3HD2 LEU 57 9.975 1.111 -1.130 440 1HD2 LEU 57 1HD1 LEU 57 9.189 3.459 -1.581 441 2HD2 LEU 57 2HD1 LEU 57 7.632 3.247 -0.763 442 3HD2 LEU 57 3HD1 LEU 57 7.690 3.742 -2.471 443 H ASN 58 H ASN 58 8.440 -0.035 -5.124 444 HA ASN 58 HA ASN 58 9.040 -2.789 -4.237 445 1HB ASN 58 2HB ASN 58 9.368 -2.171 -6.587 446 2HB ASN 58 1HB ASN 58 10.586 -0.984 -6.117 447 1HD2 ASN 58 2HD2 ASN 58 10.287 -4.034 -7.323 448 2HD2 ASN 58 1HD2 ASN 58 11.793 -4.721 -6.734 449 H THR 59 H THR 59 9.886 -3.058 -2.375 450 HA THR 59 HA THR 59 11.053 -0.977 -0.756 451 HB THR 59 HB THR 59 10.912 -3.980 -0.287 452 HG1 THR 59 HG1 THR 59 8.869 -3.216 -0.769 453 1HG2 THR 59 1HG2 THR 59 12.297 -2.789 1.384 454 2HG2 THR 59 2HG2 THR 59 10.766 -3.321 2.098 455 3HG2 THR 59 3HG2 THR 59 10.981 -1.622 1.635 456 H ASP 60 HN ASP 60 12.371 -3.560 -2.763 457 HA ASP 60 HA ASP 60 14.997 -3.646 -1.552 458 1HB ASP 60 1HB ASP 60 13.701 -5.325 -3.094 459 2HB ASP 60 2HB ASP 60 14.315 -4.358 -4.430 460 H GLU 61 HN GLU 61 13.449 -2.006 -4.215 461 HA GLU 61 HA GLU 61 15.725 -0.410 -5.088 462 1HB GLU 61 2HB GLU 61 14.005 -1.404 -6.568 463 2HB GLU 61 1HB GLU 61 12.769 -0.439 -5.745 464 1HG GLU 61 2HG GLU 61 13.777 1.638 -6.638 465 2HG GLU 61 1HG GLU 61 15.089 0.690 -7.361 466 H SER 62 H SER 62 12.999 0.046 -2.850 467 HA SER 62 HA SER 62 13.939 2.839 -2.305 468 1HB SER 62 1HB SER 62 11.075 1.946 -2.823 469 2HB SER 62 2HB SER 62 11.594 3.451 -2.070 470 HG SER 62 HG SER 62 13.116 3.052 -4.222 471 HA PRO 63 HA PRO 63 13.660 0.260 1.574 472 1HB PRO 63 1HB PRO 63 16.280 0.508 2.317 473 2HB PRO 63 2HB PRO 63 15.705 -0.787 1.215 474 1HG PRO 63 1HG PRO 63 16.994 1.862 0.484 475 2HG PRO 63 2HG PRO 63 17.397 0.234 -0.140 476 1HD PRO 63 1HD PRO 63 15.744 1.913 -1.511 477 2HD PRO 63 2HD PRO 63 15.428 0.166 -1.463 478 H ASN 64 H ASN 64 15.012 3.286 0.495 479 HA ASN 64 HA ASN 64 15.536 4.844 2.670 480 1HB ASN 64 2HB ASN 64 13.921 5.508 0.166 481 2HB ASN 64 1HB ASN 64 14.377 6.714 1.369 482 1HD2 ASN 64 1HD2 ASN 64 15.349 7.528 -0.824 483 2HD2 ASN 64 2HD2 ASN 64 17.021 7.039 -1.105 484 H VAL 65 H VAL 65 12.292 4.980 1.269 485 HA VAL 65 HA VAL 65 10.944 6.195 3.386 486 HB VAL 65 HB VAL 65 10.010 4.205 1.261 487 1HG1 VAL 65 1HG2 VAL 65 8.322 6.159 2.857 488 2HG1 VAL 65 2HG2 VAL 65 7.791 5.018 1.587 489 3HG1 VAL 65 3HG2 VAL 65 8.362 4.412 3.139 490 1HG2 VAL 65 1HG1 VAL 65 10.088 7.254 1.345 491 2HG2 VAL 65 2HG1 VAL 65 9.268 6.292 0.096 492 3HG2 VAL 65 3HG1 VAL 65 11.026 6.197 0.275 493 H ALA 66 H ALA 66 11.364 2.805 2.599 494 HA ALA 66 HA ALA 66 9.755 1.616 4.613 495 1HB ALA 66 1HB ALA 66 11.121 -0.408 4.238 496 2HB ALA 66 2HB ALA 66 10.702 0.385 2.700 497 3HB ALA 66 3HB ALA 66 12.330 0.534 3.391 498 H SER 67 H SER 67 13.162 2.675 4.740 499 HA SER 67 HA SER 67 13.604 1.743 7.449 500 1HB SER 67 2HB SER 67 15.193 3.743 5.777 501 2HB SER 67 1HB SER 67 15.735 2.902 7.241 502 HG SER 67 HG SER 67 15.014 1.720 4.755 503 H GLU 68 HN GLU 68 12.883 4.868 5.905 504 HA GLU 68 HA GLU 68 13.080 6.554 8.174 505 1HB GLU 68 1HB GLU 68 11.256 6.685 5.736 506 2HB GLU 68 2HB GLU 68 11.374 7.976 6.932 507 1HG GLU 68 1HG GLU 68 13.656 8.425 6.428 508 2HG GLU 68 2HG GLU 68 13.852 6.938 5.503 509 H TYR 69 H TYR 69 10.227 4.739 6.927 510 HA TYR 69 HA TYR 69 8.665 5.432 9.323 511 1HB TYR 69 2HB TYR 69 8.209 3.778 6.826 512 2HB TYR 69 1HB TYR 69 7.156 3.567 8.206 513 HD1 TYR 69 HD1 TYR 69 7.366 5.307 5.196 514 HD2 TYR 69 HD2 TYR 69 6.362 5.920 9.344 515 HE1 TYR 69 HE1 TYR 69 6.051 7.340 4.598 516 HE2 TYR 69 HE2 TYR 69 5.147 7.995 8.748 517 HH TYR 69 HH TYR 69 4.608 9.467 7.054 518 H GLY 70 H GLY 70 10.586 2.663 8.194 519 1HA GLY 70 2HA GLY 70 11.622 1.041 9.432 520 2HA GLY 70 1HA GLY 70 10.955 1.731 10.932 521 H ILE 71 H ILE 71 9.751 0.301 7.880 522 HA ILE 71 HA ILE 71 7.468 -0.939 9.102 523 HB ILE 71 HB ILE 71 7.239 -2.043 6.916 524 1HG1 ILE 71 2HG1 ILE 71 9.896 -0.738 6.191 525 2HG1 ILE 71 1HG1 ILE 71 9.604 -2.461 6.382 526 1HG2 ILE 71 1HG2 ILE 71 7.994 0.904 6.590 527 2HG2 ILE 71 2HG2 ILE 71 6.507 0.353 7.384 528 3HG2 ILE 71 3HG2 ILE 71 6.770 0.000 5.678 529 1HD1 ILE 71 1HD1 ILE 71 9.496 -2.020 4.033 530 2HD1 ILE 71 2HD1 ILE 71 8.474 -0.598 4.289 531 3HD1 ILE 71 3HD1 ILE 71 7.812 -2.227 4.550 532 H ARG 72 HN ARG 72 7.078 -3.056 9.715 533 HA ARG 72 HA ARG 72 9.420 -4.584 10.586 534 1HB ARG 72 2HB ARG 72 7.302 -4.253 11.937 535 2HB ARG 72 1HB ARG 72 6.481 -5.299 10.775 536 1HG ARG 72 2HG ARG 72 8.318 -7.065 11.343 537 2HG ARG 72 1HG ARG 72 8.745 -5.990 12.684 538 1HD ARG 72 2HD ARG 72 7.202 -7.679 13.494 539 2HD ARG 72 1HD ARG 72 6.346 -6.119 13.455 540 HE ARG 72 HE ARG 72 6.024 -7.564 10.981 541 1HH1 ARG 72 2HH1 ARG 72 4.878 -7.523 14.319 542 2HH1 ARG 72 1HH1 ARG 72 3.336 -8.250 13.954 543 1HH2 ARG 72 1HH2 ARG 72 4.037 -8.552 10.490 544 2HH2 ARG 72 2HH2 ARG 72 2.844 -8.838 11.726 545 H SER 73 H SER 73 10.074 -4.677 8.240 546 HA SER 73 HA SER 73 10.596 -5.972 6.428 547 1HB SER 73 2HB SER 73 10.521 -7.912 8.060 548 2HB SER 73 1HB SER 73 8.835 -8.197 7.575 549 HG SER 73 HG SER 73 10.346 -9.446 6.366 550 H ILE 74 H ILE 74 8.811 -7.809 5.051 551 HA ILE 74 HA ILE 74 6.501 -6.119 4.339 552 HB ILE 74 HB ILE 74 7.145 -6.476 1.874 553 1HG1 ILE 74 1HG1 ILE 74 9.954 -6.854 2.922 554 2HG1 ILE 74 2HG1 ILE 74 8.933 -8.176 2.327 555 1HG2 ILE 74 1HG2 ILE 74 7.282 -4.316 3.208 556 2HG2 ILE 74 2HG2 ILE 74 8.382 -4.415 1.840 557 3HG2 ILE 74 3HG2 ILE 74 9.001 -4.671 3.480 558 1HD1 ILE 74 1HD1 ILE 74 10.302 -7.387 0.492 559 2HD1 ILE 74 2HD1 ILE 74 9.787 -5.723 0.736 560 3HD1 ILE 74 3HD1 ILE 74 8.630 -6.944 0.164 561 HA PRO 75 HA PRO 75 4.989 -6.455 2.283 562 1HB PRO 75 1HB PRO 75 2.322 -7.004 2.410 563 2HB PRO 75 2HB PRO 75 3.435 -7.692 1.208 564 1HG PRO 75 1HG PRO 75 2.510 -8.902 3.832 565 2HG PRO 75 2HG PRO 75 2.523 -9.703 2.232 566 1HD PRO 75 1HD PRO 75 4.538 -10.102 4.037 567 2HD PRO 75 2HD PRO 75 4.880 -9.931 2.291 568 H THR 76 H THR 76 4.136 -4.648 2.944 569 HA THR 76 HA THR 76 2.926 -4.335 5.616 570 HB THR 76 HB THR 76 5.452 -2.897 4.723 571 HG1 THR 76 HG1 THR 76 6.176 -4.375 6.068 572 1HG2 THR 76 1HG2 THR 76 4.186 -1.117 5.516 573 2HG2 THR 76 2HG2 THR 76 3.305 -2.105 6.711 574 3HG2 THR 76 3HG2 THR 76 4.994 -1.658 6.989 575 H ILE 77 H ILE 77 1.027 -3.658 5.000 576 HA ILE 77 HA ILE 77 0.622 -1.997 2.571 577 HB ILE 77 HB ILE 77 -1.254 -3.696 4.263 578 1HG1 ILE 77 2HG1 ILE 77 -0.338 -4.025 1.372 579 2HG1 ILE 77 1HG1 ILE 77 0.366 -4.901 2.733 580 1HG2 ILE 77 1HG2 ILE 77 -2.951 -3.110 2.509 581 2HG2 ILE 77 2HG2 ILE 77 -1.761 -2.000 1.786 582 3HG2 ILE 77 3HG2 ILE 77 -2.428 -1.690 3.401 583 1HD1 ILE 77 1HD1 ILE 77 -1.886 -5.867 3.253 584 2HD1 ILE 77 2HD1 ILE 77 -2.497 -5.135 1.748 585 3HD1 ILE 77 3HD1 ILE 77 -1.212 -6.348 1.684 586 H MET 78 H MET 78 0.805 0.090 3.074 587 HA MET 78 HA MET 78 -0.152 1.047 5.751 588 1HB MET 78 1HB MET 78 1.828 2.250 3.816 589 2HB MET 78 2HB MET 78 1.247 3.019 5.314 590 1HG MET 78 2HG MET 78 2.123 1.071 6.599 591 2HG MET 78 1HG MET 78 2.714 0.387 5.082 592 1HE MET 78 1HE MET 78 2.887 4.027 6.700 593 2HE MET 78 2HE MET 78 3.283 2.835 7.968 594 3HE MET 78 3HE MET 78 4.537 3.939 7.359 595 H VAL 79 H VAL 79 -1.859 2.312 5.814 596 HA VAL 79 HA VAL 79 -3.073 3.191 3.229 597 HB VAL 79 HB VAL 79 -4.363 2.921 5.963 598 1HG1 VAL 79 1HG1 VAL 79 -4.765 1.310 3.416 599 2HG1 VAL 79 2HG1 VAL 79 -3.942 0.724 4.879 600 3HG1 VAL 79 3HG1 VAL 79 -5.662 1.103 4.934 601 1HG2 VAL 79 1HG2 VAL 79 -5.494 3.829 3.279 602 2HG2 VAL 79 2HG2 VAL 79 -5.328 4.822 4.727 603 3HG2 VAL 79 3HG2 VAL 79 -6.467 3.488 4.720 604 H PHE 80 H PHE 80 -3.223 5.341 2.901 605 HA PHE 80 HA PHE 80 -2.612 7.223 5.112 606 1HB PHE 80 1HB PHE 80 -1.748 7.468 2.200 607 2HB PHE 80 2HB PHE 80 -1.626 8.726 3.407 608 HD1 PHE 80 HD1 PHE 80 0.459 8.995 4.494 609 HD2 PHE 80 HD2 PHE 80 -0.502 5.183 2.740 610 HE1 PHE 80 HE1 PHE 80 2.689 8.140 5.134 611 HE2 PHE 80 HE2 PHE 80 1.765 4.373 3.300 612 HZ PHE 80 HZ PHE 80 3.332 5.790 4.581 613 H LYS 81 HN LYS 81 -4.135 8.904 5.142 614 HA LYS 81 HA LYS 81 -6.484 8.497 3.282 615 1HB LYS 81 2HB LYS 81 -7.998 9.071 4.943 616 2HB LYS 81 1HB LYS 81 -7.015 7.721 5.448 617 1HG LYS 81 1HG LYS 81 -7.391 10.361 6.740 618 2HG LYS 81 2HG LYS 81 -7.225 8.761 7.401 619 1HD LYS 81 1HD LYS 81 -4.783 8.791 7.047 620 2HD LYS 81 2HD LYS 81 -4.865 10.390 6.323 621 1HE LYS 81 1HE LYS 81 -4.188 10.741 8.546 622 2HE LYS 81 2HE LYS 81 -5.882 11.256 8.475 623 1HZ LYS 81 1HZ LYS 81 -5.478 9.936 10.394 624 2HZ LYS 81 2HZ LYS 81 -6.427 9.042 9.381 625 3HZ LYS 81 3HZ LYS 81 -4.805 8.729 9.500 626 H GLY 82 H GLY 82 -6.421 11.241 5.389 627 1HA GLY 82 1HA GLY 82 -6.213 13.075 3.191 628 2HA GLY 82 2HA GLY 82 -6.279 13.485 4.915 629 H GLY 83 H GLY 83 -4.110 12.042 2.456 630 1HA GLY 83 2HA GLY 83 -1.915 12.521 1.942 631 2HA GLY 83 1HA GLY 83 -1.877 13.784 3.168 632 H LYS 84 HN LYS 84 -2.230 12.619 5.484 633 HA LYS 84 HA LYS 84 0.226 10.992 5.772 634 1HB LYS 84 2HB LYS 84 -1.574 12.227 7.888 635 2HB LYS 84 1HB LYS 84 0.014 11.478 8.143 636 1HG LYS 84 1HG LYS 84 0.913 13.163 6.384 637 2HG LYS 84 2HG LYS 84 -0.627 14.009 6.596 638 1HD LYS 84 2HD LYS 84 -0.081 14.002 9.136 639 2HD LYS 84 1HD LYS 84 1.499 13.334 8.702 640 1HE LYS 84 2HE LYS 84 1.732 15.726 9.017 641 2HE LYS 84 1HE LYS 84 1.961 15.357 7.300 642 1HZ LYS 84 1HZ LYS 84 -0.517 16.366 8.525 643 2HZ LYS 84 2HZ LYS 84 -0.293 16.065 6.920 644 3HZ LYS 84 3HZ LYS 84 0.561 17.262 7.660 645 H LYS 85 HN LYS 85 0.176 9.386 7.614 646 HA LYS 85 HA LYS 85 -1.009 7.040 6.711 647 1HB LYS 85 2HB LYS 85 0.147 7.802 9.424 648 2HB LYS 85 1HB LYS 85 -0.364 6.164 8.981 649 1HG LYS 85 1HG LYS 85 1.224 6.106 7.119 650 2HG LYS 85 2HG LYS 85 1.758 7.753 7.487 651 1HD LYS 85 1HD LYS 85 3.305 6.052 8.363 652 2HD LYS 85 2HD LYS 85 2.636 7.055 9.661 653 1HE LYS 85 2HE LYS 85 1.137 5.267 10.358 654 2HE LYS 85 1HE LYS 85 1.513 4.322 8.905 655 1HZ LYS 85 1HZ LYS 85 2.664 3.511 10.794 656 2HZ LYS 85 2HZ LYS 85 3.761 4.130 9.733 657 3HZ LYS 85 3HZ LYS 85 3.362 4.976 11.090 658 H CYS 86 H CYS 86 -2.505 5.674 7.528 659 HA CYS 86 HA CYS 86 -4.576 6.630 9.457 660 1HB CYS 86 2HB CYS 86 -5.362 6.680 7.006 661 2HB CYS 86 1HB CYS 86 -5.114 4.939 6.976 662 HG CYS 86 HG CYS 86 -7.460 4.818 7.458 663 H GLU 87 HN GLU 87 -3.335 3.815 7.627 664 HA GLU 87 HA GLU 87 -3.398 2.140 10.105 665 1HB GLU 87 2HB GLU 87 -4.329 1.206 7.368 666 2HB GLU 87 1HB GLU 87 -4.312 0.261 8.842 667 1HG GLU 87 2HG GLU 87 -6.296 1.000 9.522 668 2HG GLU 87 1HG GLU 87 -5.955 2.690 9.187 669 H THR 88 H THR 88 -2.160 0.127 9.803 670 HA THR 88 HA THR 88 -0.150 -0.056 7.686 671 HB THR 88 HB THR 88 0.567 0.480 10.595 672 HG1 THR 88 HG1 THR 88 0.279 2.074 8.557 673 1HG2 THR 88 1HG2 THR 88 2.332 -0.460 8.286 674 2HG2 THR 88 2HG2 THR 88 2.938 0.215 9.811 675 3HG2 THR 88 3HG2 THR 88 2.037 -1.307 9.816 676 H ILE 89 H ILE 89 -0.992 -2.009 7.125 677 HA ILE 89 HA ILE 89 -1.395 -4.115 9.204 678 HB ILE 89 HB ILE 89 -2.275 -3.994 6.278 679 1HG1 ILE 89 2HG1 ILE 89 -4.575 -4.145 7.692 680 2HG1 ILE 89 1HG1 ILE 89 -3.626 -3.237 8.864 681 1HG2 ILE 89 1HG2 ILE 89 -2.865 -6.029 8.469 682 2HG2 ILE 89 2HG2 ILE 89 -1.854 -6.305 7.030 683 3HG2 ILE 89 3HG2 ILE 89 -3.578 -6.003 6.842 684 1HD1 ILE 89 1HD1 ILE 89 -3.206 -1.488 7.107 685 2HD1 ILE 89 2HD1 ILE 89 -4.107 -2.473 5.937 686 3HD1 ILE 89 3HD1 ILE 89 -4.937 -1.779 7.340 687 H ILE 90 H ILE 90 -0.097 -6.032 8.999 688 HA ILE 90 HA ILE 90 2.079 -5.945 6.977 689 HB ILE 90 HB ILE 90 2.490 -6.358 9.972 690 1HG1 ILE 90 1HG1 ILE 90 3.050 -3.990 8.139 691 2HG1 ILE 90 2HG1 ILE 90 2.048 -4.021 9.600 692 1HG2 ILE 90 1HG2 ILE 90 4.521 -6.163 7.698 693 2HG2 ILE 90 2HG2 ILE 90 4.050 -7.673 8.495 694 3HG2 ILE 90 3HG2 ILE 90 4.878 -6.431 9.411 695 1HD1 ILE 90 1HD1 ILE 90 4.047 -2.899 10.168 696 2HD1 ILE 90 2HD1 ILE 90 5.059 -4.141 9.426 697 3HD1 ILE 90 3HD1 ILE 90 4.149 -4.504 10.924 698 H GLY 91 H GLY 91 2.728 -7.919 6.274 699 1HA GLY 91 2HA GLY 91 2.900 -10.256 6.256 700 2HA GLY 91 1HA GLY 91 1.710 -10.402 7.558 701 H ALA 92 H ALA 92 1.685 -11.935 5.107 702 HA ALA 92 HA ALA 92 -0.193 -10.793 3.239 703 1HB ALA 92 1HB ALA 92 -0.142 -13.092 2.276 704 2HB ALA 92 2HB ALA 92 1.481 -12.446 2.574 705 3HB ALA 92 3HB ALA 92 0.787 -13.651 3.681 706 H VAL 93 H VAL 93 -1.760 -10.136 5.033 707 HA VAL 93 HA VAL 93 -3.408 -12.281 6.103 708 HB VAL 93 HB VAL 93 -4.818 -10.573 7.019 709 1HG1 VAL 93 1HG2 VAL 93 -3.313 -8.564 5.293 710 2HG1 VAL 93 2HG2 VAL 93 -5.028 -9.020 5.205 711 3HG1 VAL 93 3HG2 VAL 93 -4.434 -8.165 6.619 712 1HG2 VAL 93 1HG1 VAL 93 -3.238 -9.392 8.416 713 2HG2 VAL 93 2HG1 VAL 93 -1.925 -9.641 7.256 714 3HG2 VAL 93 3HG1 VAL 93 -2.625 -11.028 8.118 715 HA PRO 94 HA PRO 94 -6.038 -12.910 2.641 716 1HB PRO 94 1HB PRO 94 -8.426 -12.711 4.473 717 2HB PRO 94 2HB PRO 94 -8.049 -13.987 3.282 718 1HG PRO 94 2HG PRO 94 -7.603 -14.430 5.921 719 2HG PRO 94 1HG PRO 94 -6.373 -14.920 4.717 720 1HD PRO 94 2HD PRO 94 -6.392 -12.436 6.447 721 2HD PRO 94 1HD PRO 94 -5.070 -13.585 6.099 722 H LYS 95 HN LYS 95 -7.434 -11.985 1.166 723 HA LYS 95 HA LYS 95 -7.637 -9.308 0.739 724 1HB LYS 95 1HB LYS 95 -8.224 -11.155 -0.882 725 2HB LYS 95 2HB LYS 95 -9.697 -11.472 0.010 726 1HG LYS 95 1HG LYS 95 -10.496 -9.143 -0.492 727 2HG LYS 95 2HG LYS 95 -9.053 -8.900 -1.490 728 1HD LYS 95 1HD LYS 95 -9.722 -10.766 -2.950 729 2HD LYS 95 2HD LYS 95 -11.139 -11.090 -1.941 730 1HE LYS 95 2HE LYS 95 -10.629 -8.468 -3.433 731 2HE LYS 95 1HE LYS 95 -11.663 -9.785 -4.014 732 1HZ LYS 95 1HZ LYS 95 -12.920 -8.092 -2.977 733 2HZ LYS 95 2HZ LYS 95 -13.056 -9.504 -2.136 734 3HZ LYS 95 3HZ LYS 95 -12.117 -8.282 -1.551 735 H ALA 96 H ALA 96 -10.121 -11.396 2.131 736 HA ALA 96 HA ALA 96 -12.184 -9.676 2.748 737 1HB ALA 96 1HB ALA 96 -11.066 -11.920 4.502 738 2HB ALA 96 2HB ALA 96 -12.692 -11.221 4.627 739 3HB ALA 96 3HB ALA 96 -12.224 -12.107 3.167 740 H THR 97 H THR 97 -9.378 -10.363 4.950 741 HA THR 97 HA THR 97 -10.037 -8.478 6.904 742 HB THR 97 HB THR 97 -7.237 -9.394 6.113 743 HG1 THR 97 HG1 THR 97 -7.855 -11.199 7.535 744 1HG2 THR 97 1HG2 THR 97 -8.538 -8.863 8.823 745 2HG2 THR 97 2HG2 THR 97 -7.397 -7.776 8.001 746 3HG2 THR 97 3HG2 THR 97 -6.859 -9.373 8.545 747 H ILE 98 H ILE 98 -7.781 -8.202 4.094 748 HA ILE 98 HA ILE 98 -6.846 -5.578 4.614 749 HB ILE 98 HB ILE 98 -7.307 -6.958 1.914 750 1HG1 ILE 98 1HG1 ILE 98 -4.805 -6.763 3.643 751 2HG1 ILE 98 2HG1 ILE 98 -5.822 -8.191 3.403 752 1HG2 ILE 98 1HG2 ILE 98 -7.044 -4.443 1.713 753 2HG2 ILE 98 2HG2 ILE 98 -5.658 -5.288 1.053 754 3HG2 ILE 98 3HG2 ILE 98 -5.552 -4.552 2.662 755 1HD1 ILE 98 1HD1 ILE 98 -3.922 -8.448 2.015 756 2HD1 ILE 98 2HD1 ILE 98 -5.333 -8.171 0.978 757 3HD1 ILE 98 3HD1 ILE 98 -4.149 -6.871 1.257 758 H VAL 99 H VAL 99 -9.503 -6.591 2.473 759 HA VAL 99 HA VAL 99 -10.464 -4.050 1.739 760 HB VAL 99 HB VAL 99 -11.799 -6.788 1.922 761 1HG1 VAL 99 1HG1 VAL 99 -12.885 -4.160 0.858 762 2HG1 VAL 99 2HG1 VAL 99 -13.638 -5.224 2.060 763 3HG1 VAL 99 3HG1 VAL 99 -13.533 -5.745 0.377 764 1HG2 VAL 99 1HG2 VAL 99 -11.550 -6.655 -0.555 765 2HG2 VAL 99 2HG2 VAL 99 -9.979 -6.550 0.252 766 3HG2 VAL 99 3HG2 VAL 99 -10.748 -5.085 -0.389 767 H GLN 100 H GLN 100 -11.810 -6.267 4.279 768 HA GLN 100 HA GLN 100 -13.797 -4.552 5.237 769 1HB GLN 100 1HB GLN 100 -12.034 -6.603 6.638 770 2HB GLN 100 2HB GLN 100 -13.366 -5.769 7.458 771 1HG GLN 100 2HG GLN 100 -15.008 -6.660 6.017 772 2HG GLN 100 1HG GLN 100 -13.836 -7.231 4.833 773 1HE2 GLN 100 1HE2 GLN 100 -13.785 -7.631 8.430 774 2HE2 GLN 100 2HE2 GLN 100 -13.819 -9.385 8.354 775 H THR 101 H THR 101 -10.356 -4.712 6.242 776 HA THR 101 HA THR 101 -10.648 -2.785 8.343 777 HB THR 101 HB THR 101 -8.124 -3.490 6.777 778 HG1 THR 101 HG1 THR 101 -9.039 -5.345 7.622 779 1HG2 THR 101 1HG2 THR 101 -6.993 -2.900 8.894 780 2HG2 THR 101 2HG2 THR 101 -8.550 -2.471 9.630 781 3HG2 THR 101 3HG2 THR 101 -7.904 -1.507 8.288 782 H VAL 102 H VAL 102 -9.303 -2.377 4.943 783 HA VAL 102 HA VAL 102 -9.021 0.432 5.424 784 HB VAL 102 HB VAL 102 -7.939 -1.052 3.680 785 1HG1 VAL 102 1HG2 VAL 102 -7.632 1.456 3.932 786 2HG1 VAL 102 2HG2 VAL 102 -7.546 0.974 2.233 787 3HG1 VAL 102 3HG2 VAL 102 -9.020 1.715 2.869 788 1HG2 VAL 102 1HG1 VAL 102 -9.907 -1.865 2.501 789 2HG2 VAL 102 2HG1 VAL 102 -8.771 -1.021 1.434 790 3HG2 VAL 102 3HG1 VAL 102 -10.264 -0.206 1.937 791 H GLU 103 HN GLU 103 -11.560 -1.413 3.869 792 HA GLU 103 HA GLU 103 -13.277 0.575 2.933 793 1HB GLU 103 1HB GLU 103 -13.516 -1.898 2.656 794 2HB GLU 103 2HB GLU 103 -14.132 -2.025 4.302 795 1HG GLU 103 1HG GLU 103 -16.071 -0.615 3.693 796 2HG GLU 103 2HG GLU 103 -15.399 -0.366 2.072 797 H LYS 104 HN LYS 104 -13.276 -0.929 6.138 798 HA LYS 104 HA LYS 104 -15.285 0.589 7.431 799 1HB LYS 104 2HB LYS 104 -14.301 -1.241 8.603 800 2HB LYS 104 1HB LYS 104 -12.675 -0.626 8.353 801 1HG LYS 104 1HG LYS 104 -13.327 1.357 9.919 802 2HG LYS 104 2HG LYS 104 -14.683 0.337 10.384 803 1HD LYS 104 1HD LYS 104 -11.679 -0.280 10.456 804 2HD LYS 104 2HD LYS 104 -12.670 0.139 11.851 805 1HE LYS 104 2HE LYS 104 -12.893 -2.407 10.160 806 2HE LYS 104 1HE LYS 104 -12.248 -2.279 11.800 807 1HZ LYS 104 1HZ LYS 104 -14.419 -1.586 12.536 808 2HZ LYS 104 2HZ LYS 104 -14.480 -3.067 11.814 809 3HZ LYS 104 3HZ LYS 104 -15.020 -1.737 11.007 810 H TYR 105 H TYR 105 -11.823 1.326 6.988 811 HA TYR 105 HA TYR 105 -11.967 3.811 8.482 812 1HB TYR 105 1HB TYR 105 -9.863 2.222 6.997 813 2HB TYR 105 2HB TYR 105 -9.595 3.908 7.380 814 HD1 TYR 105 HD1 TYR 105 -9.353 0.587 8.713 815 HD2 TYR 105 HD2 TYR 105 -9.692 4.751 9.679 816 HE1 TYR 105 HE1 TYR 105 -8.452 0.117 10.959 817 HE2 TYR 105 HE2 TYR 105 -8.635 4.321 11.888 818 HH TYR 105 HH TYR 105 -7.745 2.723 13.298 819 H LEU 106 H LEU 106 -10.811 3.289 5.220 820 HA LEU 106 HA LEU 106 -9.804 5.057 4.002 821 1HB LEU 106 1HB LEU 106 -11.546 5.210 2.085 822 2HB LEU 106 2HB LEU 106 -10.738 3.711 2.506 823 HG LEU 106 HG LEU 106 -12.700 2.836 3.580 824 1HD1 LEU 106 1HD1 LEU 106 -12.333 2.526 1.163 825 2HD1 LEU 106 2HD1 LEU 106 -14.063 2.587 1.541 826 3HD1 LEU 106 3HD1 LEU 106 -13.260 4.003 0.831 827 1HD2 LEU 106 1HD2 LEU 106 -14.917 4.002 3.257 828 2HD2 LEU 106 2HD2 LEU 106 -14.001 5.499 2.967 829 3HD2 LEU 106 3HD2 LEU 106 -13.892 4.632 4.530 830 H ASN 107 H ASN 107 -12.953 6.186 5.044 831 HA ASN 107 HA ASN 107 -14.062 8.169 4.811 832 1HB ASN 107 1HB ASN 107 -13.022 10.019 5.879 833 2HB ASN 107 2HB ASN 107 -12.530 8.548 6.709 834 1HD2 ASN 107 1HD2 ASN 107 -11.359 10.598 4.007 835 2HD2 ASN 107 2HD2 ASN 107 -9.679 10.707 4.576 Start of MODEL 8 1 1H MET 1 1H MET 1 0.157 -3.276 -11.984 2 2H MET 1 2H MET 1 -1.294 -3.373 -11.175 3 3H MET 1 3H MET 1 -0.578 -1.925 -11.343 4 HA MET 1 HA MET 1 -0.831 -1.990 -13.708 5 1HB MET 1 1HB MET 1 -0.875 -4.390 -14.042 6 2HB MET 1 2HB MET 1 -2.331 -4.582 -13.068 7 1HG MET 1 2HG MET 1 -2.778 -4.694 -15.495 8 2HG MET 1 1HG MET 1 -3.657 -3.373 -14.732 9 1HE MET 1 1HE MET 1 -3.643 -3.412 -17.737 10 2HE MET 1 2HE MET 1 -3.119 -1.766 -18.166 11 3HE MET 1 3HE MET 1 -4.238 -2.012 -16.806 12 H GLU 2 HN GLU 2 -3.793 -3.338 -12.070 13 HA GLU 2 HA GLU 2 -5.256 -0.892 -12.496 14 1HB GLU 2 1HB GLU 2 -5.698 -3.113 -10.466 15 2HB GLU 2 2HB GLU 2 -6.869 -1.866 -10.914 16 1HG GLU 2 2HG GLU 2 -7.054 -2.745 -13.167 17 2HG GLU 2 1HG GLU 2 -5.777 -3.935 -12.871 18 H ALA 3 H ALA 3 -3.309 -2.252 -9.870 19 HA ALA 3 HA ALA 3 -3.473 0.239 -8.259 20 1HB ALA 3 1HB ALA 3 -1.948 -1.000 -6.735 21 2HB ALA 3 2HB ALA 3 -3.450 -1.890 -7.035 22 3HB ALA 3 3HB ALA 3 -1.951 -2.370 -7.865 23 H GLY 4 H GLY 4 -1.617 1.618 -8.051 24 1HA GLY 4 1HA GLY 4 0.113 1.643 -10.420 25 2HA GLY 4 2HA GLY 4 0.116 2.792 -9.078 26 H ALA 5 H ALA 5 2.517 2.028 -10.072 27 HA ALA 5 HA ALA 5 3.691 0.238 -7.986 28 1HB ALA 5 1HB ALA 5 3.972 -0.747 -10.229 29 2HB ALA 5 2HB ALA 5 4.660 0.781 -10.826 30 3HB ALA 5 3HB ALA 5 5.519 -0.158 -9.586 31 H VAL 6 H VAL 6 5.150 1.374 -6.675 32 HA VAL 6 HA VAL 6 6.035 4.076 -7.598 33 HB VAL 6 HB VAL 6 5.745 4.759 -5.119 34 1HG1 VAL 6 1HG1 VAL 6 5.142 2.547 -4.223 35 2HG1 VAL 6 2HG1 VAL 6 3.906 3.764 -3.888 36 3HG1 VAL 6 3HG1 VAL 6 3.639 2.556 -5.158 37 1HG2 VAL 6 1HG2 VAL 6 3.364 4.486 -6.958 38 2HG2 VAL 6 2HG2 VAL 6 4.517 5.829 -6.859 39 3HG2 VAL 6 3HG2 VAL 6 3.439 5.504 -5.494 40 H ASN 7 H ASN 7 7.738 4.930 -6.382 41 HA ASN 7 HA ASN 7 9.486 3.112 -4.901 42 1HB ASN 7 1HB ASN 7 10.195 4.482 -7.543 43 2HB ASN 7 2HB ASN 7 11.445 4.073 -6.377 44 1HD2 ASN 7 1HD2 ASN 7 11.312 1.748 -5.476 45 2HD2 ASN 7 2HD2 ASN 7 11.106 0.519 -6.738 46 H ASP 8 HN ASP 8 11.418 4.603 -4.220 47 HA ASP 8 HA ASP 8 10.648 6.393 -2.349 48 1HB ASP 8 2HB ASP 8 12.982 5.677 -2.722 49 2HB ASP 8 1HB ASP 8 13.114 6.711 -4.134 50 H ASP 9 HN ASP 9 11.676 7.463 -5.541 51 HA ASP 9 HA ASP 9 11.228 10.208 -5.310 52 1HB ASP 9 1HB ASP 9 11.460 10.241 -7.709 53 2HB ASP 9 2HB ASP 9 12.547 9.024 -7.043 54 H THR 10 H THR 10 9.141 7.849 -6.855 55 HA THR 10 HA THR 10 7.028 9.666 -7.569 56 HB THR 10 HB THR 10 5.854 7.327 -7.911 57 HG1 THR 10 HG1 THR 10 8.568 6.482 -7.864 58 1HG2 THR 10 1HG2 THR 10 7.126 6.989 -10.011 59 2HG2 THR 10 2HG2 THR 10 6.705 8.692 -9.752 60 3HG2 THR 10 3HG2 THR 10 8.361 8.134 -9.448 61 H PHE 11 H PHE 11 7.411 7.272 -5.006 62 HA PHE 11 HA PHE 11 5.032 7.139 -3.712 63 1HB PHE 11 1HB PHE 11 7.093 6.001 -3.073 64 2HB PHE 11 2HB PHE 11 7.802 7.483 -2.513 65 HD1 PHE 11 HD1 PHE 11 6.978 8.599 -0.431 66 HD2 PHE 11 HD2 PHE 11 5.683 4.667 -1.641 67 HE1 PHE 11 HE1 PHE 11 6.406 8.074 1.898 68 HE2 PHE 11 HE2 PHE 11 5.010 4.179 0.680 69 HZ PHE 11 HZ PHE 11 5.347 5.886 2.472 70 H LYS 12 HN LYS 12 7.457 9.614 -3.138 71 HA LYS 12 HA LYS 12 6.259 11.251 -1.235 72 1HB LYS 12 2HB LYS 12 7.546 12.386 -3.758 73 2HB LYS 12 1HB LYS 12 7.388 13.174 -2.199 74 1HG LYS 12 1HG LYS 12 9.096 10.743 -2.832 75 2HG LYS 12 2HG LYS 12 9.677 12.382 -2.585 76 1HD LYS 12 1HD LYS 12 8.941 12.295 -0.213 77 2HD LYS 12 2HD LYS 12 8.332 10.644 -0.461 78 1HE LYS 12 2HE LYS 12 10.615 9.888 -1.110 79 2HE LYS 12 1HE LYS 12 11.235 11.518 -0.802 80 1HZ LYS 12 1HZ LYS 12 11.584 10.057 1.039 81 2HZ LYS 12 2HZ LYS 12 9.973 9.756 1.181 82 3HZ LYS 12 3HZ LYS 12 10.558 11.269 1.477 83 H ASN 13 H ASN 13 5.645 11.416 -4.751 84 HA ASN 13 HA ASN 13 3.611 13.488 -4.424 85 1HB ASN 13 2HB ASN 13 5.130 13.117 -6.471 86 2HB ASN 13 1HB ASN 13 4.103 11.790 -6.924 87 1HD2 ASN 13 1HD2 ASN 13 4.070 15.259 -6.052 88 2HD2 ASN 13 2HD2 ASN 13 2.672 15.666 -7.045 89 H VAL 14 H VAL 14 3.687 10.140 -5.580 90 HA VAL 14 HA VAL 14 0.978 10.013 -6.121 91 HB VAL 14 HB VAL 14 3.080 7.847 -5.650 92 1HG1 VAL 14 1HG1 VAL 14 1.887 9.007 -8.209 93 2HG1 VAL 14 2HG1 VAL 14 3.503 9.369 -7.578 94 3HG1 VAL 14 3HG1 VAL 14 3.120 7.734 -8.123 95 1HG2 VAL 14 1HG2 VAL 14 1.589 6.322 -6.991 96 2HG2 VAL 14 2HG2 VAL 14 0.958 6.685 -5.381 97 3HG2 VAL 14 3HG2 VAL 14 0.284 7.505 -6.810 98 H VAL 15 H VAL 15 2.803 9.000 -3.250 99 HA VAL 15 HA VAL 15 0.407 7.895 -1.935 100 HB VAL 15 HB VAL 15 3.323 7.860 -1.036 101 1HG1 VAL 15 1HG1 VAL 15 2.664 6.195 0.529 102 2HG1 VAL 15 2HG1 VAL 15 0.974 6.243 -0.026 103 3HG1 VAL 15 3HG1 VAL 15 1.691 7.631 0.814 104 1HG2 VAL 15 1HG2 VAL 15 3.295 5.512 -1.781 105 2HG2 VAL 15 2HG2 VAL 15 3.003 6.587 -3.151 106 3HG2 VAL 15 3HG2 VAL 15 1.651 5.720 -2.412 107 H LEU 16 H LEU 16 3.092 10.192 -1.028 108 HA LEU 16 HA LEU 16 1.554 10.961 1.326 109 1HB LEU 16 1HB LEU 16 3.901 12.511 0.200 110 2HB LEU 16 2HB LEU 16 3.247 12.520 1.822 111 HG LEU 16 HG LEU 16 4.664 10.174 0.475 112 1HD1 LEU 16 1HD1 LEU 16 5.455 11.980 2.796 113 2HD1 LEU 16 2HD1 LEU 16 6.407 10.627 2.144 114 3HD1 LEU 16 3HD1 LEU 16 6.115 12.067 1.149 115 1HD2 LEU 16 1HD2 LEU 16 3.480 10.429 3.276 116 2HD2 LEU 16 2HD2 LEU 16 4.552 9.124 2.753 117 3HD2 LEU 16 3HD2 LEU 16 2.964 9.295 2.008 118 H GLU 17 HN GLU 17 2.487 12.952 -1.568 119 HA GLU 17 HA GLU 17 0.442 14.930 -0.811 120 1HB GLU 17 1HB GLU 17 2.158 14.826 -3.316 121 2HB GLU 17 2HB GLU 17 1.287 16.213 -2.660 122 1HG GLU 17 1HG GLU 17 3.709 14.833 -1.407 123 2HG GLU 17 2HG GLU 17 3.638 16.446 -2.110 124 H SER 18 H SER 18 -0.989 12.759 -1.025 125 HA SER 18 HA SER 18 -2.165 12.429 -3.700 126 1HB SER 18 1HB SER 18 -3.534 10.739 -2.297 127 2HB SER 18 2HB SER 18 -1.803 10.421 -2.513 128 HG SER 18 HG SER 18 -1.469 10.728 -0.451 129 H SER 19 H SER 19 -4.468 12.731 -4.040 130 HA SER 19 HA SER 19 -5.648 14.993 -2.574 131 1HB SER 19 2HB SER 19 -7.380 14.607 -4.444 132 2HB SER 19 1HB SER 19 -5.753 15.108 -4.953 133 HG SER 19 HG SER 19 -6.453 13.315 -6.185 134 H VAL 20 H VAL 20 -6.932 11.981 -3.868 135 HA VAL 20 HA VAL 20 -8.744 11.574 -1.580 136 HB VAL 20 HB VAL 20 -9.481 9.574 -2.840 137 1HG1 VAL 20 1HG2 VAL 20 -8.676 9.076 -5.077 138 2HG1 VAL 20 2HG2 VAL 20 -7.431 10.330 -4.965 139 3HG1 VAL 20 3HG2 VAL 20 -7.360 8.900 -3.914 140 1HG2 VAL 20 1HG1 VAL 20 -10.483 11.793 -3.302 141 2HG2 VAL 20 2HG1 VAL 20 -10.491 10.739 -4.727 142 3HG2 VAL 20 3HG1 VAL 20 -9.305 12.051 -4.607 143 HA PRO 21 HA PRO 21 -6.167 8.902 0.790 144 1HB PRO 21 2HB PRO 21 -8.314 6.780 0.418 145 2HB PRO 21 1HB PRO 21 -7.360 7.118 1.884 146 1HG PRO 21 1HG PRO 21 -9.829 8.165 1.637 147 2HG PRO 21 2HG PRO 21 -8.508 9.243 2.178 148 1HD PRO 21 1HD PRO 21 -9.758 9.051 -0.564 149 2HD PRO 21 2HD PRO 21 -9.203 10.487 0.335 150 H VAL 22 H VAL 22 -5.002 6.838 0.857 151 HA VAL 22 HA VAL 22 -4.497 5.583 -1.786 152 HB VAL 22 HB VAL 22 -2.413 6.519 0.194 153 1HG1 VAL 22 1HG2 VAL 22 -1.783 4.712 -1.430 154 2HG1 VAL 22 2HG2 VAL 22 -0.829 6.181 -1.514 155 3HG1 VAL 22 3HG2 VAL 22 -2.060 5.881 -2.733 156 1HG2 VAL 22 1HG1 VAL 22 -3.431 8.027 -2.248 157 2HG2 VAL 22 2HG1 VAL 22 -3.415 8.586 -0.561 158 3HG2 VAL 22 3HG1 VAL 22 -1.895 8.358 -1.428 159 H LEU 23 H LEU 23 -3.644 3.465 -1.652 160 HA LEU 23 HA LEU 23 -3.219 2.209 1.027 161 1HB LEU 23 2HB LEU 23 -5.355 1.442 0.066 162 2HB LEU 23 1HB LEU 23 -4.578 0.871 -1.382 163 HG LEU 23 HG LEU 23 -3.838 -0.104 1.405 164 1HD1 LEU 23 1HD2 LEU 23 -3.375 -1.257 -1.395 165 2HD1 LEU 23 2HD2 LEU 23 -3.151 -2.205 0.079 166 3HD1 LEU 23 3HD2 LEU 23 -2.126 -0.814 -0.212 167 1HD2 LEU 23 1HD1 LEU 23 -5.887 -1.282 -0.502 168 2HD2 LEU 23 2HD1 LEU 23 -6.174 -0.603 1.123 169 3HD2 LEU 23 3HD1 LEU 23 -5.262 -2.096 0.947 170 H VAL 24 H VAL 24 -0.900 2.164 0.880 171 HA VAL 24 HA VAL 24 0.208 1.184 -1.747 172 HB VAL 24 HB VAL 24 1.059 3.299 -1.448 173 1HG1 VAL 24 1HG2 VAL 24 1.594 2.571 1.429 174 2HG1 VAL 24 2HG2 VAL 24 0.523 3.847 0.805 175 3HG1 VAL 24 3HG2 VAL 24 2.283 3.986 0.618 176 1HG2 VAL 24 1HG1 VAL 24 3.429 2.916 -1.247 177 2HG2 VAL 24 2HG1 VAL 24 2.702 1.505 -2.040 178 3HG2 VAL 24 3HG1 VAL 24 3.184 1.421 -0.330 179 H ASP 25 HN ASP 25 0.906 -0.839 -1.759 180 HA ASP 25 HA ASP 25 1.342 -2.277 0.809 181 1HB ASP 25 2HB ASP 25 -0.109 -3.410 -0.774 182 2HB ASP 25 1HB ASP 25 1.110 -3.249 -2.045 183 H PHE 26 H PHE 26 3.385 -2.236 1.593 184 HA PHE 26 HA PHE 26 5.676 -1.661 -0.182 185 1HB PHE 26 2HB PHE 26 5.386 -2.210 2.781 186 2HB PHE 26 1HB PHE 26 6.933 -2.047 1.979 187 HD1 PHE 26 HD1 PHE 26 3.643 -0.131 2.225 188 HD2 PHE 26 HD2 PHE 26 7.953 0.078 1.938 189 HE1 PHE 26 HE1 PHE 26 3.580 2.259 2.744 190 HE2 PHE 26 HE2 PHE 26 7.860 2.470 2.578 191 HZ PHE 26 HZ PHE 26 5.651 3.466 3.263 192 H TRP 27 H TRP 27 6.169 -3.327 -1.517 193 HA TRP 27 HA TRP 27 6.000 -6.142 -0.499 194 1HB TRP 27 2HB TRP 27 5.328 -6.839 -2.686 195 2HB TRP 27 1HB TRP 27 4.287 -5.500 -2.257 196 HD1 TRP 27 HD1 TRP 27 5.148 -3.079 -3.418 197 HE1 TRP 27 HE1 TRP 27 6.382 -2.595 -5.646 198 HE3 TRP 27 HE3 TRP 27 6.469 -7.867 -4.686 199 HZ2 TRP 27 HZ2 TRP 27 7.967 -4.091 -7.538 200 HZ3 TRP 27 HZ3 TRP 27 7.701 -8.296 -6.760 201 HH2 TRP 27 HH2 TRP 27 8.455 -6.425 -8.203 202 H ALA 28 H ALA 28 7.283 -7.446 -2.456 203 HA ALA 28 HA ALA 28 9.514 -6.212 -3.620 204 1HB ALA 28 1HB ALA 28 10.189 -7.917 -1.177 205 2HB ALA 28 2HB ALA 28 10.529 -6.174 -1.342 206 3HB ALA 28 3HB ALA 28 11.353 -7.340 -2.383 207 HA PRO 29 HA PRO 29 8.937 -9.992 -5.907 208 1HB PRO 29 1HB PRO 29 11.517 -10.525 -6.808 209 2HB PRO 29 2HB PRO 29 10.351 -9.374 -7.542 210 1HG PRO 29 1HG PRO 29 12.586 -8.762 -5.577 211 2HG PRO 29 2HG PRO 29 12.188 -7.896 -7.092 212 1HD PRO 29 2HD PRO 29 11.286 -6.872 -4.788 213 2HD PRO 29 1HD PRO 29 10.171 -7.023 -6.134 214 H TRP 30 H TRP 30 11.692 -9.983 -3.584 215 HA TRP 30 HA TRP 30 11.677 -12.884 -3.343 216 1HB TRP 30 2HB TRP 30 13.085 -12.424 -1.335 217 2HB TRP 30 1HB TRP 30 13.692 -11.777 -2.852 218 HD1 TRP 30 HD1 TRP 30 14.294 -9.323 -2.944 219 HE1 TRP 30 HE1 TRP 30 14.236 -7.340 -1.341 220 HE3 TRP 30 HE3 TRP 30 11.490 -11.411 0.810 221 HZ2 TRP 30 HZ2 TRP 30 13.018 -6.687 1.198 222 HZ3 TRP 30 HZ3 TRP 30 10.885 -10.070 2.796 223 HH2 TRP 30 HH2 TRP 30 11.574 -7.695 2.970 224 H CYS 31 H CYS 31 9.531 -10.418 -2.155 225 HA CYS 31 HA CYS 31 8.907 -11.885 0.349 226 1HB CYS 31 2HB CYS 31 8.850 -9.493 0.458 227 2HB CYS 31 1HB CYS 31 7.681 -9.404 -0.866 228 H GLY 32 H GLY 32 8.431 -13.855 -0.771 229 1HA GLY 32 2HA GLY 32 6.643 -14.572 -2.620 230 2HA GLY 32 1HA GLY 32 6.714 -15.449 -1.091 231 HA PRO 33 HA PRO 33 2.692 -14.317 0.207 232 1HB PRO 33 1HB PRO 33 3.629 -12.275 2.213 233 2HB PRO 33 2HB PRO 33 2.448 -13.601 2.409 234 1HG PRO 33 1HG PRO 33 4.960 -13.880 3.363 235 2HG PRO 33 2HG PRO 33 4.199 -15.236 2.474 236 1HD PRO 33 1HD PRO 33 6.156 -13.193 1.406 237 2HD PRO 33 2HD PRO 33 6.165 -14.969 1.182 238 H CYS 34 H CYS 34 4.694 -11.380 0.103 239 HA CYS 34 HA CYS 34 2.613 -9.491 -0.426 240 1HB CYS 34 2HB CYS 34 5.429 -9.261 -1.564 241 2HB CYS 34 1HB CYS 34 4.232 -8.017 -1.224 242 H ARG 35 HN ARG 35 4.823 -11.322 -2.530 243 HA ARG 35 HA ARG 35 3.948 -10.349 -5.016 244 1HB ARG 35 1HB ARG 35 5.988 -11.797 -4.268 245 2HB ARG 35 2HB ARG 35 4.969 -13.191 -4.603 246 1HG ARG 35 2HG ARG 35 4.739 -12.554 -6.940 247 2HG ARG 35 1HG ARG 35 5.469 -10.962 -6.630 248 1HD ARG 35 1HD ARG 35 7.553 -12.028 -5.921 249 2HD ARG 35 2HD ARG 35 6.907 -13.632 -6.321 250 HE ARG 35 HE ARG 35 6.581 -12.204 -8.646 251 1HH1 ARG 35 2HH1 ARG 35 9.387 -12.764 -6.527 252 2HH1 ARG 35 1HH1 ARG 35 10.515 -12.878 -7.848 253 1HH2 ARG 35 1HH2 ARG 35 8.089 -12.228 -10.349 254 2HH2 ARG 35 2HH2 ARG 35 9.784 -12.491 -10.044 255 H ILE 36 H ILE 36 2.925 -13.340 -3.280 256 HA ILE 36 HA ILE 36 0.964 -13.922 -5.370 257 HB ILE 36 HB ILE 36 0.238 -15.789 -4.029 258 1HG1 ILE 36 2HG1 ILE 36 1.808 -16.243 -1.930 259 2HG1 ILE 36 1HG1 ILE 36 1.819 -14.490 -1.825 260 1HG2 ILE 36 1HG2 ILE 36 2.326 -17.017 -4.085 261 2HG2 ILE 36 2HG2 ILE 36 2.280 -15.892 -5.448 262 3HG2 ILE 36 3HG2 ILE 36 3.276 -15.523 -4.026 263 1HD1 ILE 36 1HD1 ILE 36 -0.592 -16.367 -1.787 264 2HD1 ILE 36 2HD1 ILE 36 -0.749 -14.604 -1.791 265 3HD1 ILE 36 3HD1 ILE 36 0.036 -15.419 -0.426 266 H ILE 37 H ILE 37 0.777 -11.933 -2.442 267 HA ILE 37 HA ILE 37 -2.158 -11.798 -2.587 268 HB ILE 37 HB ILE 37 -0.085 -10.216 -1.023 269 1HG1 ILE 37 2HG1 ILE 37 -2.152 -12.239 -0.024 270 2HG1 ILE 37 1HG1 ILE 37 -0.533 -12.731 -0.492 271 1HG2 ILE 37 1HG2 ILE 37 -2.024 -9.385 0.322 272 2HG2 ILE 37 2HG2 ILE 37 -3.137 -10.191 -0.797 273 3HG2 ILE 37 3HG2 ILE 37 -2.127 -8.839 -1.333 274 1HD1 ILE 37 1HD1 ILE 37 -0.578 -12.451 1.882 275 2HD1 ILE 37 2HD1 ILE 37 -1.191 -10.797 1.756 276 3HD1 ILE 37 3HD1 ILE 37 0.447 -11.180 1.189 277 H ALA 38 H ALA 38 0.597 -9.995 -3.882 278 HA ALA 38 HA ALA 38 -0.274 -7.592 -4.613 279 1HB ALA 38 1HB ALA 38 1.936 -8.582 -5.205 280 2HB ALA 38 2HB ALA 38 1.199 -7.651 -6.515 281 3HB ALA 38 3HB ALA 38 1.166 -9.414 -6.577 282 HA PRO 39 HA PRO 39 -2.640 -9.009 -8.579 283 1HB PRO 39 2HB PRO 39 -3.912 -11.565 -7.647 284 2HB PRO 39 1HB PRO 39 -3.296 -11.147 -9.270 285 1HG PRO 39 2HG PRO 39 -1.880 -12.825 -7.662 286 2HG PRO 39 1HG PRO 39 -1.020 -11.536 -8.567 287 1HD PRO 39 1HD PRO 39 -2.071 -11.416 -5.730 288 2HD PRO 39 2HD PRO 39 -0.412 -11.108 -6.255 289 H VAL 40 H VAL 40 -3.773 -9.982 -5.284 290 HA VAL 40 HA VAL 40 -6.408 -9.069 -6.004 291 HB VAL 40 HB VAL 40 -6.686 -9.121 -3.391 292 1HG1 VAL 40 1HG2 VAL 40 -7.276 -11.683 -3.738 293 2HG1 VAL 40 2HG2 VAL 40 -6.440 -11.569 -5.289 294 3HG1 VAL 40 3HG2 VAL 40 -7.932 -10.655 -5.015 295 1HG2 VAL 40 1HG1 VAL 40 -5.701 -10.794 -2.213 296 2HG2 VAL 40 2HG1 VAL 40 -4.632 -9.460 -2.635 297 3HG2 VAL 40 3HG1 VAL 40 -4.502 -11.044 -3.498 298 H VAL 41 H VAL 41 -3.492 -7.842 -4.268 299 HA VAL 41 HA VAL 41 -4.510 -5.355 -3.332 300 HB VAL 41 HB VAL 41 -1.789 -5.730 -4.668 301 1HG1 VAL 41 1HG1 VAL 41 -1.993 -7.346 -2.883 302 2HG1 VAL 41 2HG1 VAL 41 -0.927 -6.051 -2.356 303 3HG1 VAL 41 3HG1 VAL 41 -2.601 -6.115 -1.756 304 1HG2 VAL 41 1HG2 VAL 41 -2.330 -3.380 -4.400 305 2HG2 VAL 41 2HG2 VAL 41 -1.128 -3.836 -3.197 306 3HG2 VAL 41 3HG2 VAL 41 -2.823 -3.642 -2.712 307 H ASP 42 HN ASP 42 -3.389 -6.366 -6.571 308 HA ASP 42 HA ASP 42 -3.844 -3.901 -7.877 309 1HB ASP 42 2HB ASP 42 -2.693 -6.154 -8.701 310 2HB ASP 42 1HB ASP 42 -4.307 -6.510 -9.324 311 H GLU 43 HN GLU 43 -6.028 -6.804 -7.795 312 HA GLU 43 HA GLU 43 -8.125 -5.511 -9.140 313 1HB GLU 43 1HB GLU 43 -9.376 -7.330 -8.767 314 2HB GLU 43 2HB GLU 43 -7.782 -8.004 -8.439 315 1HG GLU 43 2HG GLU 43 -8.362 -7.566 -5.912 316 2HG GLU 43 1HG GLU 43 -9.987 -7.190 -6.480 317 H ILE 44 H ILE 44 -7.536 -5.572 -5.580 318 HA ILE 44 HA ILE 44 -9.793 -4.207 -4.696 319 HB ILE 44 HB ILE 44 -6.883 -4.063 -3.836 320 1HG1 ILE 44 2HG1 ILE 44 -9.359 -5.305 -2.545 321 2HG1 ILE 44 1HG1 ILE 44 -8.225 -6.205 -3.522 322 1HG2 ILE 44 1HG2 ILE 44 -7.926 -1.929 -3.145 323 2HG2 ILE 44 2HG2 ILE 44 -7.628 -2.958 -1.761 324 3HG2 ILE 44 3HG2 ILE 44 -9.275 -2.837 -2.415 325 1HD1 ILE 44 1HD1 ILE 44 -7.508 -6.618 -1.314 326 2HD1 ILE 44 2HD1 ILE 44 -7.721 -4.944 -0.808 327 3HD1 ILE 44 3HD1 ILE 44 -6.380 -5.393 -1.890 328 H ALA 45 H ALA 45 -7.034 -2.869 -6.544 329 HA ALA 45 HA ALA 45 -7.616 -0.111 -6.155 330 1HB ALA 45 1HB ALA 45 -6.240 0.258 -8.054 331 2HB ALA 45 2HB ALA 45 -5.587 -1.236 -7.327 332 3HB ALA 45 3HB ALA 45 -6.623 -1.318 -8.752 333 H GLY 46 H GLY 46 -8.954 -2.565 -8.448 334 1HA GLY 46 1HA GLY 46 -10.416 -0.646 -10.071 335 2HA GLY 46 2HA GLY 46 -10.624 -2.410 -10.012 336 H GLU 47 HN GLU 47 -11.039 -2.814 -7.311 337 HA GLU 47 HA GLU 47 -13.809 -2.361 -7.061 338 1HB GLU 47 2HB GLU 47 -11.801 -2.967 -4.849 339 2HB GLU 47 1HB GLU 47 -13.545 -3.143 -4.767 340 1HG GLU 47 2HG GLU 47 -13.269 -4.734 -6.831 341 2HG GLU 47 1HG GLU 47 -11.562 -4.721 -6.460 342 H TYR 48 H TYR 48 -11.176 -0.554 -5.490 343 HA TYR 48 HA TYR 48 -13.212 1.519 -4.610 344 1HB TYR 48 2HB TYR 48 -10.656 0.580 -3.267 345 2HB TYR 48 1HB TYR 48 -11.703 1.859 -2.661 346 HD1 TYR 48 HD1 TYR 48 -13.951 1.403 -1.768 347 HD2 TYR 48 HD2 TYR 48 -11.297 -1.761 -2.983 348 HE1 TYR 48 HE1 TYR 48 -15.398 -0.248 -0.622 349 HE2 TYR 48 HE2 TYR 48 -12.823 -3.433 -1.954 350 HH TYR 48 HH TYR 48 -15.581 -2.482 0.052 351 H LYS 49 HN LYS 49 -11.035 1.485 -7.005 352 HA LYS 49 HA LYS 49 -9.130 3.228 -6.807 353 1HB LYS 49 1HB LYS 49 -10.322 2.217 -8.992 354 2HB LYS 49 2HB LYS 49 -11.113 3.770 -9.052 355 1HG LYS 49 1HG LYS 49 -9.226 3.925 -10.458 356 2HG LYS 49 2HG LYS 49 -8.804 4.852 -9.010 357 1HD LYS 49 2HD LYS 49 -7.465 2.884 -8.179 358 2HD LYS 49 1HD LYS 49 -7.992 1.951 -9.583 359 1HE LYS 49 1HE LYS 49 -5.728 2.784 -9.925 360 2HE LYS 49 2HE LYS 49 -6.823 3.540 -11.091 361 1HZ LYS 49 1HZ LYS 49 -5.872 4.756 -8.587 362 2HZ LYS 49 2HZ LYS 49 -6.860 5.479 -9.691 363 3HZ LYS 49 3HZ LYS 49 -5.311 5.099 -10.099 364 H ASP 50 HN ASP 50 -12.427 4.423 -7.273 365 HA ASP 50 HA ASP 50 -12.171 7.118 -7.443 366 1HB ASP 50 1HB ASP 50 -14.197 5.561 -5.764 367 2HB ASP 50 2HB ASP 50 -14.389 7.227 -6.311 368 H LYS 51 HN LYS 51 -12.106 5.270 -4.433 369 HA LYS 51 HA LYS 51 -11.693 7.750 -2.804 370 1HB LYS 51 1HB LYS 51 -12.235 4.882 -2.001 371 2HB LYS 51 2HB LYS 51 -12.153 6.254 -0.899 372 1HG LYS 51 2HG LYS 51 -14.214 7.132 -1.586 373 2HG LYS 51 1HG LYS 51 -14.198 6.288 -3.137 374 1HD LYS 51 1HD LYS 51 -15.834 5.284 -1.600 375 2HD LYS 51 2HD LYS 51 -14.581 4.140 -2.099 376 1HE LYS 51 2HE LYS 51 -13.411 4.458 0.084 377 2HE LYS 51 1HE LYS 51 -14.659 5.614 0.581 378 1HZ LYS 51 1HZ LYS 51 -16.244 3.852 0.479 379 2HZ LYS 51 2HZ LYS 51 -14.969 3.389 1.417 380 3HZ LYS 51 3HZ LYS 51 -15.120 2.795 -0.106 381 H LEU 52 H LEU 52 -10.222 4.644 -3.664 382 HA LEU 52 HA LEU 52 -7.954 5.182 -1.792 383 1HB LEU 52 1HB LEU 52 -9.653 3.329 -1.392 384 2HB LEU 52 2HB LEU 52 -9.038 2.560 -2.859 385 HG LEU 52 HG LEU 52 -6.734 2.556 -1.718 386 1HD1 LEU 52 1HD1 LEU 52 -6.924 2.722 0.857 387 2HD1 LEU 52 2HD1 LEU 52 -8.515 3.439 0.605 388 3HD1 LEU 52 3HD1 LEU 52 -7.060 4.262 0.011 389 1HD2 LEU 52 1HD2 LEU 52 -9.113 1.099 -0.447 390 2HD2 LEU 52 2HD2 LEU 52 -8.224 0.584 -1.897 391 3HD2 LEU 52 3HD2 LEU 52 -7.426 0.585 -0.324 392 H LYS 53 HN LYS 53 -6.128 5.836 -2.857 393 HA LYS 53 HA LYS 53 -5.691 5.059 -5.645 394 1HB LYS 53 2HB LYS 53 -5.108 7.308 -4.246 395 2HB LYS 53 1HB LYS 53 -3.619 6.458 -3.973 396 1HG LYS 53 2HG LYS 53 -4.795 6.972 -6.727 397 2HG LYS 53 1HG LYS 53 -3.501 7.902 -5.955 398 1HD LYS 53 2HD LYS 53 -2.065 5.899 -5.846 399 2HD LYS 53 1HD LYS 53 -3.323 4.918 -6.628 400 1HE LYS 53 1HE LYS 53 -3.218 6.355 -8.639 401 2HE LYS 53 2HE LYS 53 -1.961 7.344 -7.873 402 1HZ LYS 53 1HZ LYS 53 -1.744 4.478 -8.482 403 2HZ LYS 53 2HZ LYS 53 -1.046 5.702 -9.337 404 3HZ LYS 53 3HZ LYS 53 -0.573 5.407 -7.786 405 H CYS 54 H CYS 54 -5.513 2.789 -5.507 406 HA CYS 54 HA CYS 54 -3.889 1.560 -3.462 407 1HB CYS 54 1HB CYS 54 -5.865 0.474 -4.472 408 2HB CYS 54 2HB CYS 54 -4.952 0.364 -6.004 409 HG CYS 54 HG CYS 54 -4.895 -1.943 -4.849 410 H VAL 55 H VAL 55 -1.739 0.923 -3.540 411 HA VAL 55 HA VAL 55 -0.285 1.049 -6.094 412 HB VAL 55 HB VAL 55 1.287 2.449 -4.078 413 1HG1 VAL 55 1HG1 VAL 55 0.116 4.534 -3.850 414 2HG1 VAL 55 2HG1 VAL 55 -1.293 3.904 -4.708 415 3HG1 VAL 55 3HG1 VAL 55 -0.843 3.251 -3.110 416 1HG2 VAL 55 1HG2 VAL 55 1.702 2.549 -6.477 417 2HG2 VAL 55 2HG2 VAL 55 0.115 3.313 -6.744 418 3HG2 VAL 55 3HG2 VAL 55 1.378 4.168 -5.839 419 H LYS 56 HN LYS 56 1.963 0.339 -5.902 420 HA LYS 56 HA LYS 56 2.540 -1.418 -3.564 421 1HB LYS 56 2HB LYS 56 2.270 -2.004 -6.476 422 2HB LYS 56 1HB LYS 56 3.634 -2.772 -5.663 423 1HG LYS 56 1HG LYS 56 2.262 -3.809 -4.018 424 2HG LYS 56 2HG LYS 56 0.829 -2.881 -4.487 425 1HD LYS 56 2HD LYS 56 2.198 -4.867 -6.349 426 2HD LYS 56 1HD LYS 56 0.914 -5.309 -5.206 427 1HE LYS 56 1HE LYS 56 -0.591 -3.596 -6.242 428 2HE LYS 56 2HE LYS 56 0.646 -3.281 -7.472 429 1HZ LYS 56 1HZ LYS 56 -0.973 -4.806 -8.248 430 2HZ LYS 56 2HZ LYS 56 0.466 -5.598 -8.102 431 3HZ LYS 56 3HZ LYS 56 -0.731 -5.837 -6.990 432 H LEU 57 H LEU 57 4.346 -0.819 -2.591 433 HA LEU 57 HA LEU 57 6.409 0.772 -4.053 434 1HB LEU 57 1HB LEU 57 5.421 1.820 -2.091 435 2HB LEU 57 2HB LEU 57 5.919 0.442 -1.082 436 HG LEU 57 HG LEU 57 7.168 2.460 -0.736 437 1HD1 LEU 57 1HD1 LEU 57 8.377 1.948 -3.459 438 2HD1 LEU 57 2HD1 LEU 57 8.816 3.248 -2.322 439 3HD1 LEU 57 3HD1 LEU 57 7.226 3.257 -3.104 440 1HD2 LEU 57 1HD2 LEU 57 8.052 0.038 -0.394 441 2HD2 LEU 57 2HD2 LEU 57 9.165 1.407 -0.320 442 3HD2 LEU 57 3HD2 LEU 57 9.099 0.395 -1.770 443 H ASN 58 H ASN 58 8.185 -0.224 -4.697 444 HA ASN 58 HA ASN 58 8.736 -2.980 -3.886 445 1HB ASN 58 1HB ASN 58 9.131 -2.228 -6.186 446 2HB ASN 58 2HB ASN 58 10.328 -1.062 -5.606 447 1HD2 ASN 58 2HD2 ASN 58 9.936 -4.292 -6.734 448 2HD2 ASN 58 1HD2 ASN 58 11.516 -4.860 -6.227 449 H THR 59 H THR 59 9.389 -3.250 -1.873 450 HA THR 59 HA THR 59 11.062 -1.387 -0.412 451 HB THR 59 HB THR 59 10.164 -4.160 0.454 452 HG1 THR 59 HG1 THR 59 8.347 -3.236 -0.323 453 1HG2 THR 59 1HG2 THR 59 10.620 -1.517 1.887 454 2HG2 THR 59 2HG2 THR 59 11.620 -2.970 2.047 455 3HG2 THR 59 3HG2 THR 59 9.962 -2.973 2.666 456 H ASP 60 HN ASP 60 12.482 -2.228 -2.578 457 HA ASP 60 HA ASP 60 14.800 -3.561 -1.278 458 1HB ASP 60 1HB ASP 60 13.342 -5.231 -2.527 459 2HB ASP 60 2HB ASP 60 13.786 -4.417 -4.030 460 H GLU 61 HN GLU 61 13.437 -2.116 -4.175 461 HA GLU 61 HA GLU 61 15.720 -0.454 -4.847 462 1HB GLU 61 2HB GLU 61 14.117 -1.447 -6.492 463 2HB GLU 61 1HB GLU 61 12.814 -0.498 -5.769 464 1HG GLU 61 1HG GLU 61 13.564 0.545 -7.815 465 2HG GLU 61 2HG GLU 61 13.957 1.607 -6.470 466 H SER 62 H SER 62 12.762 -0.143 -2.878 467 HA SER 62 HA SER 62 13.617 2.585 -2.106 468 1HB SER 62 1HB SER 62 10.712 1.725 -2.656 469 2HB SER 62 2HB SER 62 11.301 3.315 -2.146 470 HG SER 62 HG SER 62 12.825 2.800 -4.156 471 HA PRO 63 HA PRO 63 12.932 0.084 1.723 472 1HB PRO 63 1HB PRO 63 15.503 0.086 2.625 473 2HB PRO 63 2HB PRO 63 14.908 -1.148 1.467 474 1HG PRO 63 1HG PRO 63 16.482 1.377 0.882 475 2HG PRO 63 2HG PRO 63 16.756 -0.265 0.231 476 1HD PRO 63 2HD PRO 63 15.376 1.621 -1.197 477 2HD PRO 63 1HD PRO 63 14.871 -0.068 -1.222 478 H ASN 64 H ASN 64 14.660 2.930 0.669 479 HA ASN 64 HA ASN 64 15.141 4.610 2.727 480 1HB ASN 64 2HB ASN 64 13.543 5.191 0.201 481 2HB ASN 64 1HB ASN 64 14.109 6.428 1.329 482 1HD2 ASN 64 1HD2 ASN 64 15.041 7.108 -0.829 483 2HD2 ASN 64 2HD2 ASN 64 16.675 6.531 -1.198 484 H VAL 65 H VAL 65 11.910 4.665 1.287 485 HA VAL 65 HA VAL 65 10.929 6.103 3.420 486 HB VAL 65 HB VAL 65 8.618 5.147 2.261 487 1HG1 VAL 65 1HG1 VAL 65 9.076 7.144 0.622 488 2HG1 VAL 65 2HG1 VAL 65 10.761 7.111 1.159 489 3HG1 VAL 65 3HG1 VAL 65 9.488 7.563 2.308 490 1HG2 VAL 65 1HG2 VAL 65 9.787 3.532 0.885 491 2HG2 VAL 65 2HG2 VAL 65 8.775 4.700 0.024 492 3HG2 VAL 65 3HG2 VAL 65 10.530 4.878 -0.023 493 H ALA 66 H ALA 66 11.075 2.649 2.779 494 HA ALA 66 HA ALA 66 9.183 1.768 4.775 495 1HB ALA 66 1HB ALA 66 10.113 0.345 2.962 496 2HB ALA 66 2HB ALA 66 10.279 -0.399 4.565 497 3HB ALA 66 3HB ALA 66 11.686 0.322 3.789 498 H SER 67 H SER 67 12.618 2.666 4.865 499 HA SER 67 HA SER 67 13.041 1.930 7.629 500 1HB SER 67 2HB SER 67 14.657 3.850 5.893 501 2HB SER 67 1HB SER 67 15.182 3.011 7.360 502 HG SER 67 HG SER 67 14.405 1.792 4.900 503 H GLU 68 HN GLU 68 12.386 4.964 5.884 504 HA GLU 68 HA GLU 68 12.488 6.777 8.050 505 1HB GLU 68 1HB GLU 68 10.715 6.769 5.576 506 2HB GLU 68 2HB GLU 68 10.838 8.131 6.685 507 1HG GLU 68 1HG GLU 68 13.109 8.555 6.170 508 2HG GLU 68 2HG GLU 68 13.339 6.995 5.386 509 H TYR 69 H TYR 69 9.682 4.843 6.853 510 HA TYR 69 HA TYR 69 7.991 5.794 9.057 511 1HB TYR 69 2HB TYR 69 7.672 3.793 6.808 512 2HB TYR 69 1HB TYR 69 6.556 3.840 8.171 513 HD1 TYR 69 HD1 TYR 69 7.742 5.759 5.211 514 HD2 TYR 69 HD2 TYR 69 5.039 5.700 8.569 515 HE1 TYR 69 HE1 TYR 69 6.756 7.881 4.447 516 HE2 TYR 69 HE2 TYR 69 4.011 7.809 7.762 517 HH TYR 69 HH TYR 69 5.323 9.618 4.978 518 H GLY 70 H GLY 70 9.958 2.877 8.400 519 1HA GLY 70 1HA GLY 70 11.074 1.737 10.139 520 2HA GLY 70 2HA GLY 70 9.865 2.268 11.310 521 H ILE 71 H ILE 71 9.811 0.535 8.172 522 HA ILE 71 HA ILE 71 7.676 -1.243 9.071 523 HB ILE 71 HB ILE 71 9.373 -1.136 6.546 524 1HG1 ILE 71 2HG1 ILE 71 6.571 -0.197 7.317 525 2HG1 ILE 71 1HG1 ILE 71 7.945 0.825 6.889 526 1HG2 ILE 71 1HG2 ILE 71 8.550 -3.431 6.906 527 2HG2 ILE 71 2HG2 ILE 71 7.672 -2.679 5.588 528 3HG2 ILE 71 3HG2 ILE 71 6.910 -2.805 7.191 529 1HD1 ILE 71 1HD1 ILE 71 6.322 -0.960 5.045 530 2HD1 ILE 71 2HD1 ILE 71 7.900 -0.283 4.588 531 3HD1 ILE 71 3HD1 ILE 71 6.542 0.789 4.990 532 H ARG 72 HN ARG 72 7.981 -2.989 10.281 533 HA ARG 72 HA ARG 72 10.630 -3.983 10.852 534 1HB ARG 72 2HB ARG 72 8.924 -3.853 12.583 535 2HB ARG 72 1HB ARG 72 7.835 -4.893 11.654 536 1HG ARG 72 1HG ARG 72 8.849 -6.118 13.494 537 2HG ARG 72 2HG ARG 72 9.316 -6.815 11.951 538 1HD ARG 72 2HD ARG 72 11.544 -5.529 12.160 539 2HD ARG 72 1HD ARG 72 10.993 -5.003 13.749 540 HE ARG 72 HE ARG 72 11.467 -7.077 14.603 541 1HH1 ARG 72 2HH1 ARG 72 11.434 -7.305 11.054 542 2HH1 ARG 72 1HH1 ARG 72 12.024 -8.942 11.029 543 1HH2 ARG 72 1HH2 ARG 72 12.268 -9.204 14.557 544 2HH2 ARG 72 2HH2 ARG 72 12.530 -10.028 13.044 545 H SER 73 H SER 73 7.937 -5.102 8.778 546 HA SER 73 HA SER 73 9.638 -6.950 7.371 547 1HB SER 73 1HB SER 73 7.303 -8.028 9.032 548 2HB SER 73 2HB SER 73 8.159 -8.942 7.784 549 HG SER 73 HG SER 73 9.926 -7.886 9.520 550 H ILE 74 H ILE 74 8.098 -8.054 5.607 551 HA ILE 74 HA ILE 74 5.933 -6.190 4.919 552 HB ILE 74 HB ILE 74 6.666 -6.452 2.515 553 1HG1 ILE 74 1HG1 ILE 74 9.344 -7.254 3.676 554 2HG1 ILE 74 2HG1 ILE 74 8.231 -8.323 2.806 555 1HG2 ILE 74 1HG2 ILE 74 8.133 -4.529 2.658 556 2HG2 ILE 74 2HG2 ILE 74 8.582 -4.928 4.331 557 3HG2 ILE 74 3HG2 ILE 74 6.934 -4.391 3.936 558 1HD1 ILE 74 1HD1 ILE 74 9.711 -5.908 1.751 559 2HD1 ILE 74 2HD1 ILE 74 8.271 -6.538 0.911 560 3HD1 ILE 74 3HD1 ILE 74 9.695 -7.548 1.108 561 HA PRO 75 HA PRO 75 4.492 -6.526 2.669 562 1HB PRO 75 2HB PRO 75 1.795 -6.995 2.803 563 2HB PRO 75 1HB PRO 75 2.883 -7.721 1.606 564 1HG PRO 75 1HG PRO 75 1.879 -8.872 4.199 565 2HG PRO 75 2HG PRO 75 1.968 -9.703 2.617 566 1HD PRO 75 2HD PRO 75 3.858 -10.059 4.587 567 2HD PRO 75 1HD PRO 75 4.327 -10.051 2.880 568 H THR 76 H THR 76 3.573 -4.647 3.223 569 HA THR 76 HA THR 76 2.347 -4.232 5.839 570 HB THR 76 HB THR 76 5.023 -3.015 5.114 571 HG1 THR 76 HG1 THR 76 5.301 -4.634 6.573 572 1HG2 THR 76 1HG2 THR 76 4.593 -1.508 7.106 573 2HG2 THR 76 2HG2 THR 76 3.645 -1.096 5.666 574 3HG2 THR 76 3HG2 THR 76 2.885 -1.967 7.018 575 H ILE 77 H ILE 77 0.524 -3.477 5.087 576 HA ILE 77 HA ILE 77 0.379 -1.804 2.640 577 HB ILE 77 HB ILE 77 -1.697 -3.184 4.403 578 1HG1 ILE 77 2HG1 ILE 77 -2.321 -4.263 2.212 579 2HG1 ILE 77 1HG1 ILE 77 -0.864 -3.572 1.491 580 1HG2 ILE 77 1HG2 ILE 77 -2.014 -1.225 2.126 581 2HG2 ILE 77 2HG2 ILE 77 -3.332 -2.292 2.678 582 3HG2 ILE 77 3HG2 ILE 77 -2.675 -1.076 3.767 583 1HD1 ILE 77 1HD1 ILE 77 -0.893 -5.467 3.892 584 2HD1 ILE 77 2HD1 ILE 77 -0.700 -5.983 2.204 585 3HD1 ILE 77 3HD1 ILE 77 0.531 -4.963 2.948 586 H MET 78 H MET 78 0.595 0.398 2.994 587 HA MET 78 HA MET 78 -0.237 1.477 5.681 588 1HB MET 78 1HB MET 78 1.631 2.630 3.616 589 2HB MET 78 2HB MET 78 1.064 3.468 5.066 590 1HG MET 78 1HG MET 78 2.093 1.639 6.441 591 2HG MET 78 2HG MET 78 2.764 0.978 4.958 592 1HE MET 78 1HE MET 78 5.811 2.206 6.834 593 2HE MET 78 2HE MET 78 4.388 2.196 7.908 594 3HE MET 78 3HE MET 78 4.594 0.930 6.676 595 H VAL 79 H VAL 79 -1.859 2.908 5.711 596 HA VAL 79 HA VAL 79 -3.179 3.565 3.120 597 HB VAL 79 HB VAL 79 -4.240 3.623 5.969 598 1HG1 VAL 79 1HG1 VAL 79 -5.831 1.952 5.100 599 2HG1 VAL 79 2HG1 VAL 79 -5.007 1.969 3.524 600 3HG1 VAL 79 3HG1 VAL 79 -4.162 1.369 4.970 601 1HG2 VAL 79 1HG2 VAL 79 -5.147 5.572 4.704 602 2HG2 VAL 79 2HG2 VAL 79 -6.385 4.344 4.904 603 3HG2 VAL 79 3HG2 VAL 79 -5.541 4.519 3.350 604 H PHE 80 H PHE 80 -3.404 5.765 2.591 605 HA PHE 80 HA PHE 80 -2.492 7.765 4.617 606 1HB PHE 80 2HB PHE 80 -1.688 7.870 1.690 607 2HB PHE 80 1HB PHE 80 -1.531 9.111 2.888 608 HD1 PHE 80 HD1 PHE 80 -0.465 5.532 2.359 609 HD2 PHE 80 HD2 PHE 80 0.531 9.415 3.942 610 HE1 PHE 80 HE1 PHE 80 1.794 4.722 2.994 611 HE2 PHE 80 HE2 PHE 80 2.644 8.514 4.828 612 HZ PHE 80 HZ PHE 80 3.307 6.150 4.331 613 H LYS 81 HN LYS 81 -3.270 9.873 4.180 614 HA LYS 81 HA LYS 81 -5.655 10.157 2.480 615 1HB LYS 81 1HB LYS 81 -7.241 10.408 4.196 616 2HB LYS 81 2HB LYS 81 -6.401 8.903 4.524 617 1HG LYS 81 2HG LYS 81 -6.458 11.461 6.074 618 2HG LYS 81 1HG LYS 81 -6.647 9.802 6.621 619 1HD LYS 81 1HD LYS 81 -4.138 9.488 6.312 620 2HD LYS 81 2HD LYS 81 -4.030 11.208 5.891 621 1HE LYS 81 2HE LYS 81 -5.094 11.804 8.057 622 2HE LYS 81 1HE LYS 81 -5.043 10.093 8.533 623 1HZ LYS 81 1HZ LYS 81 -3.196 11.387 9.358 624 2HZ LYS 81 2HZ LYS 81 -2.719 11.732 7.817 625 3HZ LYS 81 3HZ LYS 81 -2.679 10.179 8.373 626 H GLY 82 H GLY 82 -3.486 11.502 1.952 627 1HA GLY 82 2HA GLY 82 -3.180 13.789 1.451 628 2HA GLY 82 1HA GLY 82 -4.180 14.240 2.839 629 H GLY 83 H GLY 83 -0.957 13.485 1.755 630 1HA GLY 83 2HA GLY 83 1.045 14.090 2.637 631 2HA GLY 83 1HA GLY 83 0.228 14.857 3.996 632 H LYS 84 HN LYS 84 -0.810 13.222 5.536 633 HA LYS 84 HA LYS 84 1.406 11.383 6.331 634 1HB LYS 84 2HB LYS 84 -0.865 12.600 7.931 635 2HB LYS 84 1HB LYS 84 0.384 11.525 8.584 636 1HG LYS 84 1HG LYS 84 2.130 13.150 7.733 637 2HG LYS 84 2HG LYS 84 0.833 14.284 7.358 638 1HD LYS 84 1HD LYS 84 1.540 13.113 10.094 639 2HD LYS 84 2HD LYS 84 1.875 14.756 9.546 640 1HE LYS 84 2HE LYS 84 -0.881 13.535 10.065 641 2HE LYS 84 1HE LYS 84 -0.061 14.766 11.027 642 1HZ LYS 84 1HZ LYS 84 -0.171 16.235 9.140 643 2HZ LYS 84 2HZ LYS 84 -0.969 15.094 8.256 644 3HZ LYS 84 3HZ LYS 84 -1.674 15.737 9.597 645 H LYS 85 HN LYS 85 0.866 9.552 7.584 646 HA LYS 85 HA LYS 85 -0.727 7.677 6.065 647 1HB LYS 85 2HB LYS 85 1.592 7.308 7.080 648 2HB LYS 85 1HB LYS 85 0.796 7.265 8.662 649 1HG LYS 85 1HG LYS 85 -0.598 5.310 7.805 650 2HG LYS 85 2HG LYS 85 0.273 5.446 6.271 651 1HD LYS 85 2HD LYS 85 1.262 3.670 7.498 652 2HD LYS 85 1HD LYS 85 2.424 5.004 7.478 653 1HE LYS 85 2HE LYS 85 1.768 5.597 9.809 654 2HE LYS 85 1HE LYS 85 0.528 4.329 9.791 655 1HZ LYS 85 1HZ LYS 85 2.516 3.629 10.884 656 2HZ LYS 85 2HZ LYS 85 3.425 3.917 9.541 657 3HZ LYS 85 3HZ LYS 85 2.284 2.727 9.524 658 H CYS 86 H CYS 86 -2.554 6.606 6.808 659 HA CYS 86 HA CYS 86 -4.110 7.877 9.002 660 1HB CYS 86 2HB CYS 86 -5.231 7.492 6.826 661 2HB CYS 86 1HB CYS 86 -4.856 5.772 6.921 662 HG CYS 86 HG CYS 86 -6.517 7.520 9.166 663 H GLU 87 HN GLU 87 -3.430 4.584 7.834 664 HA GLU 87 HA GLU 87 -2.653 3.564 10.452 665 1HB GLU 87 1HB GLU 87 -5.139 2.611 8.968 666 2HB GLU 87 2HB GLU 87 -4.406 1.722 10.313 667 1HG GLU 87 1HG GLU 87 -5.727 4.448 10.489 668 2HG GLU 87 2HG GLU 87 -6.378 2.916 11.044 669 H THR 88 H THR 88 -2.544 0.881 9.935 670 HA THR 88 HA THR 88 -1.657 0.390 7.242 671 HB THR 88 HB THR 88 0.323 1.516 8.209 672 HG1 THR 88 HG1 THR 88 0.564 -0.402 6.858 673 1HG2 THR 88 1HG2 THR 88 1.569 0.526 10.097 674 2HG2 THR 88 2HG2 THR 88 -0.043 1.042 10.618 675 3HG2 THR 88 3HG2 THR 88 0.296 -0.680 10.336 676 H ILE 89 H ILE 89 -0.877 -1.956 7.081 677 HA ILE 89 HA ILE 89 -1.969 -3.752 9.177 678 HB ILE 89 HB ILE 89 -2.440 -4.267 6.210 679 1HG1 ILE 89 2HG1 ILE 89 -4.454 -3.067 8.153 680 2HG1 ILE 89 1HG1 ILE 89 -3.707 -2.222 6.783 681 1HG2 ILE 89 1HG2 ILE 89 -3.712 -5.426 8.730 682 2HG2 ILE 89 2HG2 ILE 89 -3.944 -5.997 7.065 683 3HG2 ILE 89 3HG2 ILE 89 -2.373 -6.178 7.838 684 1HD1 ILE 89 1HD1 ILE 89 -4.662 -3.897 5.217 685 2HD1 ILE 89 2HD1 ILE 89 -5.860 -2.903 6.065 686 3HD1 ILE 89 3HD1 ILE 89 -5.594 -4.580 6.570 687 H ILE 90 H ILE 90 -0.255 -5.073 9.700 688 HA ILE 90 HA ILE 90 2.014 -5.353 7.774 689 HB ILE 90 HB ILE 90 1.928 -5.539 10.816 690 1HG1 ILE 90 1HG1 ILE 90 3.019 -3.388 8.942 691 2HG1 ILE 90 2HG1 ILE 90 1.625 -3.229 10.014 692 1HG2 ILE 90 1HG2 ILE 90 4.398 -5.681 10.653 693 2HG2 ILE 90 2HG2 ILE 90 4.292 -5.669 8.881 694 3HG2 ILE 90 3HG2 ILE 90 3.655 -7.030 9.824 695 1HD1 ILE 90 1HD1 ILE 90 3.417 -2.113 11.074 696 2HD1 ILE 90 2HD1 ILE 90 3.154 -3.617 11.980 697 3HD1 ILE 90 3HD1 ILE 90 4.528 -3.468 10.852 698 H GLY 91 H GLY 91 2.661 -7.366 7.182 699 1HA GLY 91 1HA GLY 91 2.980 -9.672 7.429 700 2HA GLY 91 2HA GLY 91 1.688 -9.773 8.634 701 H ALA 92 H ALA 92 1.808 -11.599 6.567 702 HA ALA 92 HA ALA 92 0.345 -10.942 4.222 703 1HB ALA 92 1HB ALA 92 0.127 -13.389 3.997 704 2HB ALA 92 2HB ALA 92 1.770 -12.962 4.527 705 3HB ALA 92 3HB ALA 92 0.597 -13.605 5.695 706 H VAL 93 H VAL 93 -1.869 -11.112 3.703 707 HA VAL 93 HA VAL 93 -3.750 -11.999 5.732 708 HB VAL 93 HB VAL 93 -4.859 -9.648 4.552 709 1HG1 VAL 93 1HG1 VAL 93 -2.350 -8.941 6.123 710 2HG1 VAL 93 2HG1 VAL 93 -2.520 -8.730 4.360 711 3HG1 VAL 93 3HG1 VAL 93 -3.550 -7.820 5.470 712 1HG2 VAL 93 1HG2 VAL 93 -4.210 -10.074 7.430 713 2HG2 VAL 93 2HG2 VAL 93 -5.653 -10.657 6.563 714 3HG2 VAL 93 3HG2 VAL 93 -5.363 -8.916 6.705 715 HA PRO 94 HA PRO 94 -5.770 -12.844 1.723 716 1HB PRO 94 1HB PRO 94 -8.383 -13.088 3.050 717 2HB PRO 94 2HB PRO 94 -7.422 -14.359 2.254 718 1HG PRO 94 2HG PRO 94 -7.798 -14.271 5.012 719 2HG PRO 94 1HG PRO 94 -6.274 -14.859 4.277 720 1HD PRO 94 1HD PRO 94 -6.896 -12.055 5.242 721 2HD PRO 94 2HD PRO 94 -5.513 -13.057 5.708 722 H LYS 95 HN LYS 95 -6.976 -11.423 0.300 723 HA LYS 95 HA LYS 95 -7.098 -8.773 1.149 724 1HB LYS 95 1HB LYS 95 -8.650 -8.405 -0.837 725 2HB LYS 95 2HB LYS 95 -7.098 -9.145 -1.238 726 1HG LYS 95 1HG LYS 95 -8.126 -11.218 -1.733 727 2HG LYS 95 2HG LYS 95 -9.581 -10.890 -0.805 728 1HD LYS 95 2HD LYS 95 -8.932 -9.184 -3.217 729 2HD LYS 95 1HD LYS 95 -9.766 -10.738 -3.372 730 1HE LYS 95 2HE LYS 95 -11.596 -10.013 -1.991 731 2HE LYS 95 1HE LYS 95 -10.775 -8.506 -1.550 732 1HZ LYS 95 1HZ LYS 95 -11.507 -9.202 -4.301 733 2HZ LYS 95 2HZ LYS 95 -10.935 -7.761 -3.751 734 3HZ LYS 95 3HZ LYS 95 -12.428 -8.267 -3.297 735 H ALA 96 H ALA 96 -9.552 -11.171 1.236 736 HA ALA 96 HA ALA 96 -11.921 -9.824 1.785 737 1HB ALA 96 1HB ALA 96 -12.537 -11.705 3.270 738 2HB ALA 96 2HB ALA 96 -10.838 -12.217 3.348 739 3HB ALA 96 3HB ALA 96 -11.723 -12.290 1.806 740 H THR 97 H THR 97 -9.170 -10.292 4.065 741 HA THR 97 HA THR 97 -10.492 -8.878 6.243 742 HB THR 97 HB THR 97 -7.569 -9.599 5.839 743 HG1 THR 97 HG1 THR 97 -9.716 -11.103 6.933 744 1HG2 THR 97 1HG2 THR 97 -7.566 -9.707 8.334 745 2HG2 THR 97 2HG2 THR 97 -7.958 -8.079 7.756 746 3HG2 THR 97 3HG2 THR 97 -9.248 -9.141 8.359 747 H ILE 98 H ILE 98 -8.029 -8.148 3.737 748 HA ILE 98 HA ILE 98 -7.235 -5.573 4.675 749 HB ILE 98 HB ILE 98 -7.343 -6.635 1.812 750 1HG1 ILE 98 2HG1 ILE 98 -5.134 -6.646 3.925 751 2HG1 ILE 98 1HG1 ILE 98 -6.000 -8.058 3.307 752 1HG2 ILE 98 1HG2 ILE 98 -5.754 -4.318 3.000 753 2HG2 ILE 98 2HG2 ILE 98 -7.143 -4.151 1.909 754 3HG2 ILE 98 3HG2 ILE 98 -5.670 -4.896 1.323 755 1HD1 ILE 98 1HD1 ILE 98 -3.902 -8.050 2.223 756 2HD1 ILE 98 2HD1 ILE 98 -5.077 -7.524 1.002 757 3HD1 ILE 98 3HD1 ILE 98 -4.013 -6.339 1.797 758 H VAL 99 H VAL 99 -9.875 -6.505 2.421 759 HA VAL 99 HA VAL 99 -10.774 -3.891 1.832 760 HB VAL 99 HB VAL 99 -12.217 -6.572 1.947 761 1HG1 VAL 99 1HG1 VAL 99 -13.189 -3.870 0.937 762 2HG1 VAL 99 2HG1 VAL 99 -13.934 -5.418 0.482 763 3HG1 VAL 99 3HG1 VAL 99 -13.958 -4.896 2.168 764 1HG2 VAL 99 1HG2 VAL 99 -10.395 -6.328 0.237 765 2HG2 VAL 99 2HG2 VAL 99 -11.190 -4.868 -0.375 766 3HG2 VAL 99 3HG2 VAL 99 -11.996 -6.443 -0.507 767 H GLN 100 H GLN 100 -11.980 -6.167 4.367 768 HA GLN 100 HA GLN 100 -13.826 -4.361 5.548 769 1HB GLN 100 2HB GLN 100 -12.217 -6.688 6.688 770 2HB GLN 100 1HB GLN 100 -13.472 -5.833 7.602 771 1HG GLN 100 2HG GLN 100 -15.173 -6.407 6.004 772 2HG GLN 100 1HG GLN 100 -14.004 -7.113 4.883 773 1HE2 GLN 100 1HE2 GLN 100 -12.927 -9.096 5.454 774 2HE2 GLN 100 2HE2 GLN 100 -13.654 -10.181 6.646 775 H THR 101 H THR 101 -10.378 -4.928 6.263 776 HA THR 101 HA THR 101 -10.255 -3.142 8.490 777 HB THR 101 HB THR 101 -8.014 -4.100 6.672 778 HG1 THR 101 HG1 THR 101 -9.159 -5.828 7.520 779 1HG2 THR 101 1HG2 THR 101 -6.668 -3.859 8.787 780 2HG2 THR 101 2HG2 THR 101 -7.270 -2.313 8.157 781 3HG2 THR 101 3HG2 THR 101 -8.062 -3.076 9.554 782 H VAL 102 H VAL 102 -9.533 -2.586 4.967 783 HA VAL 102 HA VAL 102 -8.567 0.073 5.478 784 HB VAL 102 HB VAL 102 -8.197 -1.426 3.432 785 1HG1 VAL 102 1HG2 VAL 102 -7.853 0.651 2.014 786 2HG1 VAL 102 2HG2 VAL 102 -8.785 1.561 3.211 787 3HG1 VAL 102 3HG2 VAL 102 -7.244 0.805 3.667 788 1HG2 VAL 102 1HG1 VAL 102 -9.484 -0.987 1.439 789 2HG2 VAL 102 2HG1 VAL 102 -10.684 -0.063 2.362 790 3HG2 VAL 102 3HG1 VAL 102 -10.447 -1.801 2.656 791 H GLU 103 HN GLU 103 -11.692 -1.286 4.513 792 HA GLU 103 HA GLU 103 -13.158 1.137 4.381 793 1HB GLU 103 1HB GLU 103 -13.955 -1.691 5.169 794 2HB GLU 103 2HB GLU 103 -15.112 -0.363 5.033 795 1HG GLU 103 2HG GLU 103 -14.578 0.024 2.711 796 2HG GLU 103 1HG GLU 103 -13.286 -1.181 2.736 797 H LYS 104 HN LYS 104 -12.584 -0.994 7.181 798 HA LYS 104 HA LYS 104 -13.889 0.500 9.184 799 1HB LYS 104 1HB LYS 104 -13.009 -1.707 9.622 800 2HB LYS 104 2HB LYS 104 -11.384 -1.200 9.196 801 1HG LYS 104 1HG LYS 104 -11.553 0.421 11.260 802 2HG LYS 104 2HG LYS 104 -12.880 -0.638 11.744 803 1HD LYS 104 2HD LYS 104 -10.012 -1.462 11.027 804 2HD LYS 104 1HD LYS 104 -10.625 -1.249 12.670 805 1HE LYS 104 2HE LYS 104 -12.275 -3.085 12.301 806 2HE LYS 104 1HE LYS 104 -11.647 -3.321 10.659 807 1HZ LYS 104 1HZ LYS 104 -9.530 -3.860 11.595 808 2HZ LYS 104 2HZ LYS 104 -10.101 -3.646 13.127 809 3HZ LYS 104 3HZ LYS 104 -10.698 -4.859 12.185 810 H TYR 105 H TYR 105 -10.455 0.758 8.092 811 HA TYR 105 HA TYR 105 -9.792 2.941 9.819 812 1HB TYR 105 2HB TYR 105 -8.648 2.076 7.155 813 2HB TYR 105 1HB TYR 105 -7.868 3.217 8.251 814 HD1 TYR 105 HD1 TYR 105 -8.851 1.121 10.709 815 HD2 TYR 105 HD2 TYR 105 -6.460 0.937 7.120 816 HE1 TYR 105 HE1 TYR 105 -7.331 -0.489 11.792 817 HE2 TYR 105 HE2 TYR 105 -4.881 -0.581 8.254 818 HH TYR 105 HH TYR 105 -4.239 -1.495 10.319 819 H LEU 106 H LEU 106 -11.051 2.911 6.476 820 HA LEU 106 HA LEU 106 -11.229 5.901 6.488 821 1HB LEU 106 2HB LEU 106 -11.254 3.876 4.214 822 2HB LEU 106 1HB LEU 106 -11.453 5.628 4.032 823 HG LEU 106 HG LEU 106 -8.973 4.192 5.082 824 1HD1 LEU 106 1HD2 LEU 106 -7.877 6.430 4.747 825 2HD1 LEU 106 2HD2 LEU 106 -9.478 7.142 4.463 826 3HD1 LEU 106 3HD2 LEU 106 -9.072 6.443 6.048 827 1HD2 LEU 106 1HD1 LEU 106 -9.556 5.548 2.410 828 2HD2 LEU 106 2HD1 LEU 106 -8.015 4.805 2.889 829 3HD2 LEU 106 3HD1 LEU 106 -9.462 3.802 2.691 830 H ASN 107 H ASN 107 -13.181 3.914 4.319 831 HA ASN 107 HA ASN 107 -15.519 3.704 5.845 832 1HB ASN 107 1HB ASN 107 -15.418 6.251 5.266 833 2HB ASN 107 2HB ASN 107 -15.616 5.754 3.583 834 1HD2 ASN 107 2HD2 ASN 107 -17.532 3.582 4.032 835 2HD2 ASN 107 1HD2 ASN 107 -19.023 4.357 4.588 Start of MODEL 9 1 1H MET 1 1H MET 1 0.577 -3.239 -11.316 2 2H MET 1 2H MET 1 -0.949 -3.280 -10.662 3 3H MET 1 3H MET 1 -0.169 -1.853 -10.770 4 HA MET 1 HA MET 1 -0.179 -1.967 -13.156 5 1HB MET 1 2HB MET 1 -0.329 -4.401 -13.393 6 2HB MET 1 1HB MET 1 -1.902 -4.446 -12.599 7 1HG MET 1 2HG MET 1 -2.052 -4.630 -15.073 8 2HG MET 1 1HG MET 1 -2.945 -3.255 -14.440 9 1HE MET 1 1HE MET 1 0.950 -3.726 -15.323 10 2HE MET 1 2HE MET 1 -0.014 -4.516 -16.599 11 3HE MET 1 3HE MET 1 0.903 -3.036 -16.960 12 H GLU 2 HN GLU 2 -3.188 -3.127 -11.560 13 HA GLU 2 HA GLU 2 -4.686 -0.712 -12.266 14 1HB GLU 2 1HB GLU 2 -5.219 -3.012 -10.354 15 2HB GLU 2 2HB GLU 2 -6.397 -1.756 -10.756 16 1HG GLU 2 2HG GLU 2 -6.392 -2.480 -13.113 17 2HG GLU 2 1HG GLU 2 -5.164 -3.707 -12.765 18 H ALA 3 H ALA 3 -3.085 -2.200 -9.485 19 HA ALA 3 HA ALA 3 -3.240 0.171 -7.767 20 1HB ALA 3 1HB ALA 3 -1.674 -1.125 -6.359 21 2HB ALA 3 2HB ALA 3 -3.048 -2.151 -6.830 22 3HB ALA 3 3HB ALA 3 -1.492 -2.329 -7.655 23 H GLY 4 H GLY 4 -1.598 1.787 -7.745 24 1HA GLY 4 2HA GLY 4 0.091 1.945 -10.107 25 2HA GLY 4 1HA GLY 4 0.111 3.046 -8.725 26 H ALA 5 H ALA 5 2.513 2.362 -9.881 27 HA ALA 5 HA ALA 5 3.805 0.487 -7.934 28 1HB ALA 5 1HB ALA 5 5.587 0.261 -9.610 29 2HB ALA 5 2HB ALA 5 4.033 -0.316 -10.247 30 3HB ALA 5 3HB ALA 5 4.669 1.268 -10.749 31 H VAL 6 H VAL 6 5.139 1.597 -6.503 32 HA VAL 6 HA VAL 6 6.035 4.338 -7.292 33 HB VAL 6 HB VAL 6 5.686 4.949 -4.819 34 1HG1 VAL 6 1HG1 VAL 6 5.152 2.693 -3.989 35 2HG1 VAL 6 2HG1 VAL 6 3.873 3.860 -3.630 36 3HG1 VAL 6 3HG1 VAL 6 3.657 2.676 -4.933 37 1HG2 VAL 6 1HG2 VAL 6 3.332 4.633 -6.696 38 2HG2 VAL 6 2HG2 VAL 6 4.450 6.003 -6.584 39 3HG2 VAL 6 3HG2 VAL 6 3.370 5.646 -5.228 40 H ASN 7 H ASN 7 7.690 5.190 -5.947 41 HA ASN 7 HA ASN 7 9.529 3.329 -4.649 42 1HB ASN 7 1HB ASN 7 10.064 4.790 -7.290 43 2HB ASN 7 2HB ASN 7 11.394 4.352 -6.227 44 1HD2 ASN 7 1HD2 ASN 7 11.350 1.999 -5.413 45 2HD2 ASN 7 2HD2 ASN 7 11.046 0.810 -6.691 46 H ASP 8 HN ASP 8 11.527 4.837 -4.095 47 HA ASP 8 HA ASP 8 10.932 6.581 -2.134 48 1HB ASP 8 2HB ASP 8 13.218 5.852 -2.772 49 2HB ASP 8 1HB ASP 8 13.214 6.943 -4.148 50 H ASP 9 HN ASP 9 11.689 7.779 -5.362 51 HA ASP 9 HA ASP 9 10.988 10.486 -4.920 52 1HB ASP 9 2HB ASP 9 12.339 9.773 -6.819 53 2HB ASP 9 1HB ASP 9 11.013 8.848 -7.506 54 H THR 10 H THR 10 9.127 8.186 -6.920 55 HA THR 10 HA THR 10 6.896 9.808 -7.318 56 HB THR 10 HB THR 10 5.761 7.547 -7.818 57 HG1 THR 10 HG1 THR 10 7.447 5.879 -7.997 58 1HG2 THR 10 1HG2 THR 10 7.151 7.198 -9.828 59 2HG2 THR 10 2HG2 THR 10 6.895 8.925 -9.531 60 3HG2 THR 10 3HG2 THR 10 8.452 8.180 -9.122 61 H PHE 11 H PHE 11 7.489 7.552 -4.645 62 HA PHE 11 HA PHE 11 5.070 7.378 -3.347 63 1HB PHE 11 2HB PHE 11 7.229 6.407 -2.624 64 2HB PHE 11 1HB PHE 11 7.798 7.972 -2.119 65 HD1 PHE 11 HD1 PHE 11 7.276 8.861 0.040 66 HD2 PHE 11 HD2 PHE 11 5.229 5.351 -1.406 67 HE1 PHE 11 HE1 PHE 11 6.334 8.481 2.288 68 HE2 PHE 11 HE2 PHE 11 4.292 4.970 0.858 69 HZ PHE 11 HZ PHE 11 4.800 6.554 2.700 70 H LYS 12 HN LYS 12 7.395 9.994 -3.182 71 HA LYS 12 HA LYS 12 6.208 11.673 -1.236 72 1HB LYS 12 2HB LYS 12 7.688 12.533 -3.757 73 2HB LYS 12 1HB LYS 12 7.390 13.542 -2.350 74 1HG LYS 12 1HG LYS 12 8.795 12.163 -0.932 75 2HG LYS 12 2HG LYS 12 8.936 10.916 -2.179 76 1HD LYS 12 1HD LYS 12 10.072 12.530 -3.685 77 2HD LYS 12 2HD LYS 12 10.069 13.730 -2.374 78 1HE LYS 12 1HE LYS 12 11.412 12.190 -0.959 79 2HE LYS 12 2HE LYS 12 11.329 10.940 -2.212 80 1HZ LYS 12 1HZ LYS 12 13.380 12.081 -2.298 81 2HZ LYS 12 2HZ LYS 12 12.641 13.543 -2.503 82 3HZ LYS 12 3HZ LYS 12 12.525 12.384 -3.672 83 H ASN 13 H ASN 13 5.664 11.660 -4.791 84 HA ASN 13 HA ASN 13 3.655 13.746 -4.666 85 1HB ASN 13 1HB ASN 13 4.343 11.803 -6.901 86 2HB ASN 13 2HB ASN 13 3.395 13.283 -7.032 87 1HD2 ASN 13 2HD2 ASN 13 4.921 15.217 -5.618 88 2HD2 ASN 13 1HD2 ASN 13 6.471 15.323 -6.427 89 H VAL 14 H VAL 14 3.587 10.285 -5.433 90 HA VAL 14 HA VAL 14 0.746 10.102 -5.779 91 HB VAL 14 HB VAL 14 3.001 8.063 -5.408 92 1HG1 VAL 14 1HG1 VAL 14 2.853 7.827 -7.871 93 2HG1 VAL 14 2HG1 VAL 14 3.242 9.492 -7.436 94 3HG1 VAL 14 3HG1 VAL 14 1.588 9.071 -7.919 95 1HG2 VAL 14 1HG2 VAL 14 0.997 6.846 -4.918 96 2HG2 VAL 14 2HG2 VAL 14 0.135 7.612 -6.278 97 3HG2 VAL 14 3HG2 VAL 14 1.453 6.463 -6.584 98 H VAL 15 H VAL 15 2.715 9.848 -2.883 99 HA VAL 15 HA VAL 15 0.305 8.869 -1.411 100 HB VAL 15 HB VAL 15 3.198 8.451 -0.580 101 1HG1 VAL 15 1HG1 VAL 15 0.591 7.145 0.276 102 2HG1 VAL 15 2HG1 VAL 15 2.219 6.783 0.880 103 3HG1 VAL 15 3HG1 VAL 15 1.495 8.364 1.197 104 1HG2 VAL 15 1HG2 VAL 15 1.388 6.612 -2.187 105 2HG2 VAL 15 2HG2 VAL 15 2.904 6.132 -1.400 106 3HG2 VAL 15 3HG2 VAL 15 2.932 7.299 -2.712 107 H LEU 16 H LEU 16 3.373 10.531 -0.469 108 HA LEU 16 HA LEU 16 2.198 11.740 1.781 109 1HB LEU 16 1HB LEU 16 4.545 12.795 0.150 110 2HB LEU 16 2HB LEU 16 4.100 13.296 1.771 111 HG LEU 16 HG LEU 16 5.023 10.508 0.935 112 1HD1 LEU 16 1HD1 LEU 16 6.785 12.264 1.021 113 2HD1 LEU 16 2HD1 LEU 16 6.321 12.632 2.694 114 3HD1 LEU 16 3HD1 LEU 16 7.001 11.042 2.286 115 1HD2 LEU 16 1HD2 LEU 16 5.094 10.119 3.454 116 2HD2 LEU 16 2HD2 LEU 16 3.470 10.174 2.764 117 3HD2 LEU 16 3HD2 LEU 16 4.114 11.582 3.644 118 H GLU 17 HN GLU 17 2.618 13.238 -1.441 119 HA GLU 17 HA GLU 17 1.054 15.604 -0.638 120 1HB GLU 17 2HB GLU 17 2.319 14.725 -3.238 121 2HB GLU 17 1HB GLU 17 1.702 16.338 -2.920 122 1HG GLU 17 1HG GLU 17 3.460 16.889 -1.441 123 2HG GLU 17 2HG GLU 17 3.919 15.209 -1.169 124 H SER 18 H SER 18 -0.174 12.669 -1.143 125 HA SER 18 HA SER 18 -1.771 13.143 -3.547 126 1HB SER 18 1HB SER 18 -0.678 11.010 -2.608 127 2HB SER 18 2HB SER 18 -2.135 10.818 -1.645 128 HG SER 18 HG SER 18 -1.878 9.885 -3.890 129 H SER 19 H SER 19 -4.054 13.268 -3.646 130 HA SER 19 HA SER 19 -5.245 14.916 -1.574 131 1HB SER 19 1HB SER 19 -7.115 14.853 -3.354 132 2HB SER 19 2HB SER 19 -5.556 15.551 -3.843 133 HG SER 19 HG SER 19 -6.291 14.024 -5.392 134 H VAL 20 H VAL 20 -6.307 11.985 -3.298 135 HA VAL 20 HA VAL 20 -8.349 11.401 -1.300 136 HB VAL 20 HB VAL 20 -8.370 9.110 -2.587 137 1HG1 VAL 20 1HG1 VAL 20 -6.126 9.454 -3.673 138 2HG1 VAL 20 2HG1 VAL 20 -7.455 9.009 -4.759 139 3HG1 VAL 20 3HG1 VAL 20 -6.888 10.685 -4.711 140 1HG2 VAL 20 1HG2 VAL 20 -10.148 10.685 -2.842 141 2HG2 VAL 20 2HG2 VAL 20 -9.707 9.988 -4.406 142 3HG2 VAL 20 3HG2 VAL 20 -9.191 11.642 -4.009 143 HA PRO 21 HA PRO 21 -6.067 8.692 1.413 144 1HB PRO 21 1HB PRO 21 -8.223 6.662 0.747 145 2HB PRO 21 2HB PRO 21 -7.554 7.022 2.357 146 1HG PRO 21 1HG PRO 21 -9.887 8.008 1.620 147 2HG PRO 21 2HG PRO 21 -8.739 9.085 2.474 148 1HD PRO 21 1HD PRO 21 -9.434 9.063 -0.467 149 2HD PRO 21 2HD PRO 21 -9.013 10.423 0.600 150 H VAL 22 H VAL 22 -4.924 6.610 1.380 151 HA VAL 22 HA VAL 22 -4.419 5.555 -1.342 152 HB VAL 22 HB VAL 22 -2.154 6.428 0.468 153 1HG1 VAL 22 1HG2 VAL 22 -1.708 4.861 -1.346 154 2HG1 VAL 22 2HG2 VAL 22 -2.242 6.099 -2.504 155 3HG1 VAL 22 3HG2 VAL 22 -0.844 6.408 -1.478 156 1HG2 VAL 22 1HG1 VAL 22 -1.895 8.482 -0.915 157 2HG2 VAL 22 2HG1 VAL 22 -3.465 8.167 -1.671 158 3HG2 VAL 22 3HG1 VAL 22 -3.353 8.548 0.064 159 H LEU 23 H LEU 23 -3.499 3.500 -1.350 160 HA LEU 23 HA LEU 23 -2.998 2.170 1.301 161 1HB LEU 23 1HB LEU 23 -5.200 1.530 0.564 162 2HB LEU 23 2HB LEU 23 -4.603 0.917 -0.974 163 HG LEU 23 HG LEU 23 -3.319 -0.132 1.544 164 1HD1 LEU 23 1HD1 LEU 23 -2.595 -1.124 -0.603 165 2HD1 LEU 23 2HD1 LEU 23 -3.532 -2.325 0.282 166 3HD1 LEU 23 3HD1 LEU 23 -4.291 -1.446 -1.043 167 1HD2 LEU 23 1HD2 LEU 23 -6.060 -1.128 0.707 168 2HD2 LEU 23 2HD2 LEU 23 -5.757 -0.062 2.102 169 3HD2 LEU 23 3HD2 LEU 23 -5.071 -1.691 2.060 170 H VAL 24 H VAL 24 -0.798 2.093 1.184 171 HA VAL 24 HA VAL 24 0.499 1.339 -1.403 172 HB VAL 24 HB VAL 24 1.741 2.432 1.138 173 1HG1 VAL 24 1HG1 VAL 24 2.867 2.009 -1.661 174 2HG1 VAL 24 2HG1 VAL 24 3.329 1.116 -0.197 175 3HG1 VAL 24 3HG1 VAL 24 3.700 2.837 -0.329 176 1HG2 VAL 24 1HG2 VAL 24 0.246 4.126 0.007 177 2HG2 VAL 24 2HG2 VAL 24 1.195 3.893 -1.478 178 3HG2 VAL 24 3HG2 VAL 24 1.960 4.545 -0.017 179 H ASP 25 HN ASP 25 1.023 -0.800 -1.607 180 HA ASP 25 HA ASP 25 1.429 -2.461 0.843 181 1HB ASP 25 2HB ASP 25 -0.099 -3.457 -0.725 182 2HB ASP 25 1HB ASP 25 1.022 -3.179 -2.062 183 H PHE 26 H PHE 26 3.507 -2.485 1.553 184 HA PHE 26 HA PHE 26 5.727 -1.760 -0.263 185 1HB PHE 26 2HB PHE 26 5.576 -2.546 2.663 186 2HB PHE 26 1HB PHE 26 7.080 -2.292 1.790 187 HD1 PHE 26 HD1 PHE 26 3.779 -0.457 2.345 188 HD2 PHE 26 HD2 PHE 26 8.060 -0.171 1.851 189 HE1 PHE 26 HE1 PHE 26 3.686 1.946 2.833 190 HE2 PHE 26 HE2 PHE 26 7.966 2.199 2.557 191 HZ PHE 26 HZ PHE 26 5.762 3.205 3.244 192 H TRP 27 H TRP 27 6.443 -3.311 -1.635 193 HA TRP 27 HA TRP 27 6.262 -6.179 -0.807 194 1HB TRP 27 2HB TRP 27 5.411 -6.793 -2.925 195 2HB TRP 27 1HB TRP 27 4.407 -5.470 -2.379 196 HD1 TRP 27 HD1 TRP 27 5.225 -2.994 -3.464 197 HE1 TRP 27 HE1 TRP 27 6.351 -2.394 -5.722 198 HE3 TRP 27 HE3 TRP 27 6.433 -7.711 -5.045 199 HZ2 TRP 27 HZ2 TRP 27 7.840 -3.794 -7.759 200 HZ3 TRP 27 HZ3 TRP 27 7.501 -8.033 -7.238 201 HH2 TRP 27 HH2 TRP 27 8.246 -6.093 -8.587 202 H ALA 28 H ALA 28 7.401 -7.379 -2.870 203 HA ALA 28 HA ALA 28 9.567 -6.062 -4.122 204 1HB ALA 28 1HB ALA 28 10.672 -6.217 -1.879 205 2HB ALA 28 2HB ALA 28 11.461 -7.271 -3.062 206 3HB ALA 28 3HB ALA 28 10.356 -7.970 -1.869 207 HA PRO 29 HA PRO 29 8.823 -9.664 -6.630 208 1HB PRO 29 1HB PRO 29 11.310 -10.188 -7.729 209 2HB PRO 29 2HB PRO 29 10.155 -8.921 -8.267 210 1HG PRO 29 1HG PRO 29 12.512 -8.582 -6.376 211 2HG PRO 29 2HG PRO 29 12.100 -7.580 -7.802 212 1HD PRO 29 2HD PRO 29 11.318 -6.705 -5.395 213 2HD PRO 29 1HD PRO 29 10.142 -6.722 -6.708 214 H TRP 30 H TRP 30 11.535 -9.902 -4.297 215 HA TRP 30 HA TRP 30 11.420 -12.840 -4.339 216 1HB TRP 30 2HB TRP 30 12.949 -12.572 -2.361 217 2HB TRP 30 1HB TRP 30 13.516 -11.933 -3.894 218 HD1 TRP 30 HD1 TRP 30 14.438 -9.588 -3.901 219 HE1 TRP 30 HE1 TRP 30 14.581 -7.619 -2.253 220 HE3 TRP 30 HE3 TRP 30 11.420 -11.421 -0.180 221 HZ2 TRP 30 HZ2 TRP 30 13.389 -6.870 0.256 222 HZ3 TRP 30 HZ3 TRP 30 10.912 -10.037 1.798 223 HH2 TRP 30 HH2 TRP 30 11.778 -7.726 1.976 224 H CYS 31 H CYS 31 9.289 -10.503 -3.105 225 HA CYS 31 HA CYS 31 8.876 -11.755 -0.481 226 1HB CYS 31 1HB CYS 31 8.656 -9.315 -0.803 227 2HB CYS 31 2HB CYS 31 7.310 -9.600 -1.892 228 H GLY 32 H GLY 32 8.384 -13.911 -1.298 229 1HA GLY 32 1HA GLY 32 6.282 -14.870 -2.753 230 2HA GLY 32 2HA GLY 32 6.726 -15.561 -1.185 231 HA PRO 33 HA PRO 33 2.899 -14.258 0.550 232 1HB PRO 33 1HB PRO 33 3.319 -12.404 2.596 233 2HB PRO 33 2HB PRO 33 3.525 -14.171 2.720 234 1HG PRO 33 2HG PRO 33 5.642 -12.080 2.216 235 2HG PRO 33 1HG PRO 33 5.692 -13.473 3.327 236 1HD PRO 33 1HD PRO 33 6.880 -13.539 0.896 237 2HD PRO 33 2HD PRO 33 6.031 -14.987 1.494 238 H CYS 34 H CYS 34 4.846 -11.620 -0.784 239 HA CYS 34 HA CYS 34 2.624 -9.721 -0.817 240 1HB CYS 34 1HB CYS 34 5.133 -9.562 -2.408 241 2HB CYS 34 2HB CYS 34 3.935 -8.359 -2.055 242 H ARG 35 HN ARG 35 4.526 -11.821 -3.099 243 HA ARG 35 HA ARG 35 3.349 -11.247 -5.528 244 1HB ARG 35 2HB ARG 35 4.112 -13.987 -4.417 245 2HB ARG 35 1HB ARG 35 3.750 -13.629 -6.098 246 1HG ARG 35 1HG ARG 35 5.695 -12.121 -6.243 247 2HG ARG 35 2HG ARG 35 6.098 -12.488 -4.554 248 1HD ARG 35 1HD ARG 35 6.152 -14.940 -5.154 249 2HD ARG 35 2HD ARG 35 5.922 -14.483 -6.858 250 HE ARG 35 HE ARG 35 8.122 -13.015 -5.894 251 1HH1 ARG 35 1HH1 ARG 35 7.300 -16.411 -6.440 252 2HH1 ARG 35 2HH1 ARG 35 8.953 -16.903 -6.700 253 1HH2 ARG 35 2HH2 ARG 35 10.181 -13.593 -6.237 254 2HH2 ARG 35 1HH2 ARG 35 10.677 -15.244 -6.585 255 H ILE 36 H ILE 36 2.208 -13.652 -3.131 256 HA ILE 36 HA ILE 36 -0.040 -14.426 -4.729 257 HB ILE 36 HB ILE 36 -0.785 -15.661 -2.717 258 1HG1 ILE 36 2HG1 ILE 36 1.114 -15.793 -0.891 259 2HG1 ILE 36 1HG1 ILE 36 1.466 -14.137 -1.357 260 1HG2 ILE 36 1HG2 ILE 36 1.100 -17.195 -2.750 261 2HG2 ILE 36 2HG2 ILE 36 0.867 -16.529 -4.370 262 3HG2 ILE 36 3HG2 ILE 36 2.188 -15.928 -3.346 263 1HD1 ILE 36 1HD1 ILE 36 -0.078 -14.164 0.528 264 2HD1 ILE 36 2HD1 ILE 36 -1.149 -15.317 -0.292 265 3HD1 ILE 36 3HD1 ILE 36 -1.027 -13.655 -0.883 266 H ILE 37 H ILE 37 0.272 -11.596 -2.583 267 HA ILE 37 HA ILE 37 -2.698 -11.274 -2.732 268 HB ILE 37 HB ILE 37 -2.424 -9.292 -1.389 269 1HG1 ILE 37 1HG1 ILE 37 0.473 -10.077 -1.002 270 2HG1 ILE 37 2HG1 ILE 37 -0.042 -8.734 -2.049 271 1HG2 ILE 37 1HG2 ILE 37 -1.015 -11.601 -0.001 272 2HG2 ILE 37 2HG2 ILE 37 -2.141 -10.425 0.691 273 3HG2 ILE 37 3HG2 ILE 37 -2.742 -11.649 -0.428 274 1HD1 ILE 37 1HD1 ILE 37 -0.423 -8.937 0.955 275 2HD1 ILE 37 2HD1 ILE 37 0.640 -7.839 0.058 276 3HD1 ILE 37 3HD1 ILE 37 -1.122 -7.664 -0.080 277 H ALA 38 H ALA 38 0.330 -10.045 -4.168 278 HA ALA 38 HA ALA 38 -0.242 -7.684 -5.175 279 1HB ALA 38 1HB ALA 38 1.183 -8.189 -7.098 280 2HB ALA 38 2HB ALA 38 1.810 -8.947 -5.625 281 3HB ALA 38 3HB ALA 38 0.972 -9.925 -6.845 282 HA PRO 39 HA PRO 39 -2.815 -8.747 -9.001 283 1HB PRO 39 2HB PRO 39 -4.173 -11.065 -9.333 284 2HB PRO 39 1HB PRO 39 -2.447 -10.903 -9.770 285 1HG PRO 39 2HG PRO 39 -3.618 -12.116 -7.267 286 2HG PRO 39 1HG PRO 39 -2.297 -12.752 -8.283 287 1HD PRO 39 1HD PRO 39 -1.969 -11.320 -5.969 288 2HD PRO 39 2HD PRO 39 -0.737 -11.326 -7.262 289 H VAL 40 H VAL 40 -3.705 -9.963 -5.838 290 HA VAL 40 HA VAL 40 -6.521 -9.348 -6.031 291 HB VAL 40 HB VAL 40 -5.027 -9.721 -3.429 292 1HG1 VAL 40 1HG1 VAL 40 -7.495 -9.174 -3.613 293 2HG1 VAL 40 2HG1 VAL 40 -7.116 -10.679 -2.733 294 3HG1 VAL 40 3HG1 VAL 40 -7.724 -10.745 -4.396 295 1HG2 VAL 40 1HG2 VAL 40 -5.806 -11.939 -5.381 296 2HG2 VAL 40 2HG2 VAL 40 -5.423 -12.191 -3.666 297 3HG2 VAL 40 3HG2 VAL 40 -4.174 -11.612 -4.762 298 H VAL 41 H VAL 41 -3.540 -7.828 -4.781 299 HA VAL 41 HA VAL 41 -4.667 -5.442 -3.688 300 HB VAL 41 HB VAL 41 -1.981 -5.827 -5.092 301 1HG1 VAL 41 1HG1 VAL 41 -2.395 -7.277 -2.976 302 2HG1 VAL 41 2HG1 VAL 41 -2.404 -5.747 -2.092 303 3HG1 VAL 41 3HG1 VAL 41 -0.969 -6.234 -2.997 304 1HG2 VAL 41 1HG2 VAL 41 -2.909 -3.646 -3.193 305 2HG2 VAL 41 2HG2 VAL 41 -2.516 -3.449 -4.918 306 3HG2 VAL 41 3HG2 VAL 41 -1.248 -3.861 -3.763 307 H ASP 42 HN ASP 42 -3.561 -6.307 -6.999 308 HA ASP 42 HA ASP 42 -4.309 -3.841 -8.209 309 1HB ASP 42 1HB ASP 42 -3.949 -6.656 -9.264 310 2HB ASP 42 2HB ASP 42 -4.498 -5.366 -10.323 311 H GLU 43 HN GLU 43 -6.349 -6.939 -8.169 312 HA GLU 43 HA GLU 43 -8.442 -5.586 -9.521 313 1HB GLU 43 1HB GLU 43 -9.797 -7.351 -9.046 314 2HB GLU 43 2HB GLU 43 -8.191 -8.081 -9.151 315 1HG GLU 43 1HG GLU 43 -8.145 -7.956 -6.589 316 2HG GLU 43 2HG GLU 43 -9.861 -7.530 -6.644 317 H ILE 44 H ILE 44 -7.739 -5.828 -6.019 318 HA ILE 44 HA ILE 44 -10.129 -4.424 -5.200 319 HB ILE 44 HB ILE 44 -7.409 -4.862 -3.907 320 1HG1 ILE 44 2HG1 ILE 44 -8.882 -6.822 -4.003 321 2HG1 ILE 44 1HG1 ILE 44 -8.714 -6.243 -2.345 322 1HG2 ILE 44 1HG2 ILE 44 -8.098 -2.722 -3.035 323 2HG2 ILE 44 2HG2 ILE 44 -8.368 -3.950 -1.799 324 3HG2 ILE 44 3HG2 ILE 44 -9.738 -3.312 -2.719 325 1HD1 ILE 44 1HD1 ILE 44 -10.953 -6.935 -2.657 326 2HD1 ILE 44 2HD1 ILE 44 -10.980 -5.173 -2.531 327 3HD1 ILE 44 3HD1 ILE 44 -11.166 -5.970 -4.112 328 H ALA 45 H ALA 45 -6.856 -3.290 -6.191 329 HA ALA 45 HA ALA 45 -7.309 -0.549 -5.775 330 1HB ALA 45 1HB ALA 45 -5.860 -1.735 -8.192 331 2HB ALA 45 2HB ALA 45 -5.164 -1.609 -6.572 332 3HB ALA 45 3HB ALA 45 -5.656 -0.152 -7.487 333 H GLY 46 H GLY 46 -8.104 -2.602 -8.639 334 1HA GLY 46 2HA GLY 46 -9.197 -0.648 -10.325 335 2HA GLY 46 1HA GLY 46 -9.722 -2.341 -10.247 336 H GLU 47 HN GLU 47 -10.871 -2.609 -7.823 337 HA GLU 47 HA GLU 47 -13.424 -1.379 -8.167 338 1HB GLU 47 1HB GLU 47 -12.142 -2.873 -5.852 339 2HB GLU 47 2HB GLU 47 -13.848 -2.418 -5.920 340 1HG GLU 47 1HG GLU 47 -14.158 -3.836 -7.905 341 2HG GLU 47 2HG GLU 47 -12.431 -4.222 -7.943 342 H TYR 48 H TYR 48 -11.024 -0.865 -5.565 343 HA TYR 48 HA TYR 48 -12.686 1.300 -4.444 344 1HB TYR 48 2HB TYR 48 -10.095 0.019 -3.480 345 2HB TYR 48 1HB TYR 48 -10.971 1.286 -2.646 346 HD1 TYR 48 HD1 TYR 48 -12.621 0.799 -1.067 347 HD2 TYR 48 HD2 TYR 48 -11.442 -2.241 -3.875 348 HE1 TYR 48 HE1 TYR 48 -14.243 -0.764 -0.068 349 HE2 TYR 48 HE2 TYR 48 -13.116 -3.785 -2.924 350 HH TYR 48 HH TYR 48 -15.204 -2.868 -0.172 351 H LYS 49 HN LYS 49 -10.332 1.362 -6.849 352 HA LYS 49 HA LYS 49 -8.505 3.131 -6.483 353 1HB LYS 49 1HB LYS 49 -9.545 2.162 -8.721 354 2HB LYS 49 2HB LYS 49 -10.263 3.751 -8.873 355 1HG LYS 49 1HG LYS 49 -8.037 4.805 -8.681 356 2HG LYS 49 2HG LYS 49 -7.281 3.235 -8.413 357 1HD LYS 49 1HD LYS 49 -8.676 4.171 -10.960 358 2HD LYS 49 2HD LYS 49 -6.937 3.973 -10.713 359 1HE LYS 49 2HE LYS 49 -9.048 1.786 -10.880 360 2HE LYS 49 1HE LYS 49 -7.693 2.080 -11.972 361 1HZ LYS 49 1HZ LYS 49 -7.488 1.209 -9.176 362 2HZ LYS 49 2HZ LYS 49 -6.198 1.491 -10.174 363 3HZ LYS 49 3HZ LYS 49 -7.252 0.274 -10.508 364 H ASP 50 HN ASP 50 -11.818 4.181 -7.055 365 HA ASP 50 HA ASP 50 -11.684 6.938 -7.174 366 1HB ASP 50 2HB ASP 50 -13.719 5.610 -7.496 367 2HB ASP 50 1HB ASP 50 -13.751 5.140 -5.806 368 H LYS 51 HN LYS 51 -12.281 5.069 -4.243 369 HA LYS 51 HA LYS 51 -12.035 7.392 -2.473 370 1HB LYS 51 2HB LYS 51 -12.364 4.420 -1.877 371 2HB LYS 51 1HB LYS 51 -12.639 5.762 -0.761 372 1HG LYS 51 2HG LYS 51 -14.474 6.573 -2.299 373 2HG LYS 51 1HG LYS 51 -14.296 5.092 -3.239 374 1HD LYS 51 2HD LYS 51 -15.034 5.317 -0.287 375 2HD LYS 51 1HD LYS 51 -16.115 4.872 -1.614 376 1HE LYS 51 2HE LYS 51 -13.791 3.236 -0.493 377 2HE LYS 51 1HE LYS 51 -15.507 2.890 -0.353 378 1HZ LYS 51 1HZ LYS 51 -13.969 2.899 -2.854 379 2HZ LYS 51 2HZ LYS 51 -14.539 1.576 -2.053 380 3HZ LYS 51 3HZ LYS 51 -15.594 2.636 -2.743 381 H LEU 52 H LEU 52 -10.106 4.678 -3.491 382 HA LEU 52 HA LEU 52 -8.008 5.223 -1.415 383 1HB LEU 52 1HB LEU 52 -9.661 3.326 -0.953 384 2HB LEU 52 2HB LEU 52 -9.047 2.550 -2.410 385 HG LEU 52 HG LEU 52 -6.694 2.732 -1.223 386 1HD1 LEU 52 1HD1 LEU 52 -8.676 2.998 1.088 387 2HD1 LEU 52 2HD1 LEU 52 -7.473 4.220 0.619 388 3HD1 LEU 52 3HD1 LEU 52 -6.952 2.664 1.282 389 1HD2 LEU 52 1HD2 LEU 52 -7.294 0.587 0.001 390 2HD2 LEU 52 2HD2 LEU 52 -8.989 0.890 -0.417 391 3HD2 LEU 52 3HD2 LEU 52 -7.791 0.625 -1.699 392 H LYS 53 HN LYS 53 -6.172 5.894 -2.582 393 HA LYS 53 HA LYS 53 -5.793 4.932 -5.314 394 1HB LYS 53 1HB LYS 53 -5.356 7.238 -4.322 395 2HB LYS 53 2HB LYS 53 -3.928 6.610 -3.585 396 1HG LYS 53 2HG LYS 53 -4.611 6.545 -6.578 397 2HG LYS 53 1HG LYS 53 -3.580 7.754 -5.808 398 1HD LYS 53 1HD LYS 53 -1.915 6.094 -5.215 399 2HD LYS 53 2HD LYS 53 -2.900 4.771 -5.868 400 1HE LYS 53 2HE LYS 53 -1.898 7.082 -7.570 401 2HE LYS 53 1HE LYS 53 -1.055 5.534 -7.383 402 1HZ LYS 53 1HZ LYS 53 -2.980 4.426 -8.235 403 2HZ LYS 53 2HZ LYS 53 -2.411 5.532 -9.316 404 3HZ LYS 53 3HZ LYS 53 -3.768 5.859 -8.443 405 H CYS 54 H CYS 54 -5.515 2.685 -5.094 406 HA CYS 54 HA CYS 54 -3.735 1.626 -3.070 407 1HB CYS 54 1HB CYS 54 -5.662 0.349 -3.887 408 2HB CYS 54 2HB CYS 54 -4.888 0.298 -5.498 409 HG CYS 54 HG CYS 54 -3.308 -0.528 -2.746 410 H VAL 55 H VAL 55 -1.591 0.840 -3.332 411 HA VAL 55 HA VAL 55 -0.240 1.184 -5.883 412 HB VAL 55 HB VAL 55 1.346 2.538 -3.832 413 1HG1 VAL 55 1HG1 VAL 55 0.129 4.598 -3.513 414 2HG1 VAL 55 2HG1 VAL 55 -1.278 3.952 -4.359 415 3HG1 VAL 55 3HG1 VAL 55 -0.777 3.256 -2.799 416 1HG2 VAL 55 1HG2 VAL 55 1.733 2.746 -6.222 417 2HG2 VAL 55 2HG2 VAL 55 0.125 3.485 -6.444 418 3HG2 VAL 55 3HG2 VAL 55 1.379 4.331 -5.517 419 H LYS 56 HN LYS 56 1.984 0.445 -5.772 420 HA LYS 56 HA LYS 56 2.589 -1.350 -3.486 421 1HB LYS 56 1HB LYS 56 2.172 -1.899 -6.364 422 2HB LYS 56 2HB LYS 56 3.655 -2.599 -5.713 423 1HG LYS 56 1HG LYS 56 2.436 -3.665 -3.883 424 2HG LYS 56 2HG LYS 56 0.914 -2.932 -4.423 425 1HD LYS 56 2HD LYS 56 2.571 -4.895 -6.079 426 2HD LYS 56 1HD LYS 56 1.241 -5.359 -5.004 427 1HE LYS 56 2HE LYS 56 -0.305 -3.863 -6.296 428 2HE LYS 56 1HE LYS 56 1.007 -3.543 -7.447 429 1HZ LYS 56 1HZ LYS 56 -0.382 -5.291 -8.238 430 2HZ LYS 56 2HZ LYS 56 1.082 -5.932 -7.845 431 3HZ LYS 56 3HZ LYS 56 -0.221 -6.148 -6.855 432 H LEU 57 H LEU 57 4.449 -0.774 -2.536 433 HA LEU 57 HA LEU 57 6.407 0.844 -4.116 434 1HB LEU 57 1HB LEU 57 5.534 1.804 -1.971 435 2HB LEU 57 2HB LEU 57 6.354 0.499 -1.107 436 HG LEU 57 HG LEU 57 8.151 1.853 -3.024 437 1HD1 LEU 57 1HD2 LEU 57 8.221 1.456 -0.010 438 2HD1 LEU 57 2HD2 LEU 57 9.565 1.998 -0.997 439 3HD1 LEU 57 3HD2 LEU 57 8.929 0.351 -1.207 440 1HD2 LEU 57 1HD1 LEU 57 6.953 3.511 -0.775 441 2HD2 LEU 57 2HD1 LEU 57 8.361 3.954 -1.764 442 3HD2 LEU 57 3HD1 LEU 57 6.768 3.814 -2.522 443 H ASN 58 H ASN 58 8.235 -0.074 -4.819 444 HA ASN 58 HA ASN 58 8.854 -2.836 -4.017 445 1HB ASN 58 2HB ASN 58 9.172 -2.074 -6.335 446 2HB ASN 58 1HB ASN 58 10.429 -0.959 -5.789 447 1HD2 ASN 58 2HD2 ASN 58 9.975 -4.008 -7.097 448 2HD2 ASN 58 1HD2 ASN 58 11.485 -4.730 -6.568 449 H THR 59 H THR 59 9.697 -3.181 -2.132 450 HA THR 59 HA THR 59 10.902 -1.169 -0.478 451 HB THR 59 HB THR 59 10.844 -4.196 -0.109 452 HG1 THR 59 HG1 THR 59 8.771 -3.529 -0.515 453 1HG2 THR 59 1HG2 THR 59 10.701 -3.605 2.297 454 2HG2 THR 59 2HG2 THR 59 10.873 -1.887 1.882 455 3HG2 THR 59 3HG2 THR 59 12.211 -3.018 1.581 456 H ASP 60 HN ASP 60 12.226 -3.560 -2.708 457 HA ASP 60 HA ASP 60 14.875 -3.675 -1.505 458 1HB ASP 60 1HB ASP 60 13.640 -5.385 -2.984 459 2HB ASP 60 2HB ASP 60 14.076 -4.378 -4.359 460 H GLU 61 HN GLU 61 13.317 -2.077 -4.198 461 HA GLU 61 HA GLU 61 15.603 -0.498 -5.064 462 1HB GLU 61 2HB GLU 61 13.821 -1.423 -6.557 463 2HB GLU 61 1HB GLU 61 12.641 -0.389 -5.738 464 1HG GLU 61 1HG GLU 61 13.266 0.579 -7.862 465 2HG GLU 61 2HG GLU 61 13.830 1.636 -6.576 466 H SER 62 H SER 62 12.860 0.005 -2.867 467 HA SER 62 HA SER 62 13.821 2.773 -2.272 468 1HB SER 62 1HB SER 62 10.950 1.913 -2.734 469 2HB SER 62 2HB SER 62 11.546 3.470 -2.112 470 HG SER 62 HG SER 62 13.009 2.956 -4.235 471 HA PRO 63 HA PRO 63 13.453 0.011 1.519 472 1HB PRO 63 2HB PRO 63 16.051 0.275 2.343 473 2HB PRO 63 1HB PRO 63 15.521 -0.881 1.094 474 1HG PRO 63 2HG PRO 63 16.825 1.765 0.565 475 2HG PRO 63 1HG PRO 63 17.231 0.164 -0.105 476 1HD PRO 63 1HD PRO 63 15.574 1.874 -1.443 477 2HD PRO 63 2HD PRO 63 15.317 0.120 -1.477 478 H ASN 64 H ASN 64 15.149 2.854 0.692 479 HA ASN 64 HA ASN 64 15.504 4.522 2.761 480 1HB ASN 64 1HB ASN 64 13.945 5.345 0.266 481 2HB ASN 64 2HB ASN 64 14.705 6.461 1.412 482 1HD2 ASN 64 1HD2 ASN 64 15.494 6.983 -0.928 483 2HD2 ASN 64 2HD2 ASN 64 17.073 6.290 -1.328 484 H VAL 65 H VAL 65 12.298 4.676 1.220 485 HA VAL 65 HA VAL 65 10.966 6.081 3.255 486 HB VAL 65 HB VAL 65 9.957 4.130 1.129 487 1HG1 VAL 65 1HG2 VAL 65 7.791 5.239 1.356 488 2HG1 VAL 65 2HG2 VAL 65 8.410 6.214 2.715 489 3HG1 VAL 65 3HG2 VAL 65 8.232 4.456 2.875 490 1HG2 VAL 65 1HG1 VAL 65 10.213 7.173 1.169 491 2HG2 VAL 65 2HG1 VAL 65 11.193 6.063 0.196 492 3HG2 VAL 65 3HG1 VAL 65 9.460 6.219 -0.127 493 H ALA 66 H ALA 66 11.078 2.616 2.571 494 HA ALA 66 HA ALA 66 9.420 1.705 4.679 495 1HB ALA 66 1HB ALA 66 11.837 0.243 3.511 496 2HB ALA 66 2HB ALA 66 10.423 -0.475 4.276 497 3HB ALA 66 3HB ALA 66 10.253 0.354 2.722 498 H SER 67 H SER 67 12.862 2.581 4.696 499 HA SER 67 HA SER 67 13.388 1.591 7.371 500 1HB SER 67 1HB SER 67 14.992 3.574 5.697 501 2HB SER 67 2HB SER 67 15.553 2.634 7.088 502 HG SER 67 HG SER 67 14.596 1.560 4.626 503 H GLU 68 HN GLU 68 12.760 4.761 5.880 504 HA GLU 68 HA GLU 68 12.975 6.407 8.183 505 1HB GLU 68 1HB GLU 68 11.169 6.609 5.734 506 2HB GLU 68 2HB GLU 68 11.320 7.882 6.943 507 1HG GLU 68 2HG GLU 68 13.589 8.315 6.413 508 2HG GLU 68 1HG GLU 68 13.788 6.801 5.533 509 H TYR 69 H TYR 69 10.186 4.564 6.887 510 HA TYR 69 HA TYR 69 8.472 5.302 9.141 511 1HB TYR 69 2HB TYR 69 8.256 3.515 6.714 512 2HB TYR 69 1HB TYR 69 7.164 3.278 8.056 513 HD1 TYR 69 HD1 TYR 69 7.887 5.377 5.175 514 HD2 TYR 69 HD2 TYR 69 5.772 5.258 8.927 515 HE1 TYR 69 HE1 TYR 69 6.497 7.295 4.456 516 HE2 TYR 69 HE2 TYR 69 4.351 7.159 8.178 517 HH TYR 69 HH TYR 69 4.784 8.737 5.019 518 H GLY 70 H GLY 70 10.578 2.508 8.377 519 1HA GLY 70 1HA GLY 70 11.623 1.216 10.024 520 2HA GLY 70 2HA GLY 70 10.433 1.708 11.231 521 H ILE 71 H ILE 71 10.235 0.234 7.970 522 HA ILE 71 HA ILE 71 8.209 -1.698 8.846 523 HB ILE 71 HB ILE 71 9.511 -1.138 6.173 524 1HG1 ILE 71 2HG1 ILE 71 6.826 -0.417 7.457 525 2HG1 ILE 71 1HG1 ILE 71 8.120 0.697 7.001 526 1HG2 ILE 71 1HG2 ILE 71 8.793 -3.495 6.295 527 2HG2 ILE 71 2HG2 ILE 71 7.712 -2.599 5.246 528 3HG2 ILE 71 3HG2 ILE 71 7.205 -2.988 6.908 529 1HD1 ILE 71 1HD1 ILE 71 7.815 -0.057 4.620 530 2HD1 ILE 71 2HD1 ILE 71 6.493 0.907 5.319 531 3HD1 ILE 71 3HD1 ILE 71 6.301 -0.842 5.131 532 H ARG 72 HN ARG 72 8.820 -3.420 9.884 533 HA ARG 72 HA ARG 72 11.507 -4.435 9.894 534 1HB ARG 72 2HB ARG 72 10.761 -5.816 11.644 535 2HB ARG 72 1HB ARG 72 9.980 -4.258 11.866 536 1HG ARG 72 1HG ARG 72 8.731 -6.866 10.879 537 2HG ARG 72 2HG ARG 72 8.486 -6.070 12.425 538 1HD ARG 72 2HD ARG 72 7.415 -5.210 9.726 539 2HD ARG 72 1HD ARG 72 6.524 -5.727 11.153 540 HE ARG 72 HE ARG 72 7.891 -3.520 12.054 541 1HH1 ARG 72 2HH2 ARG 72 5.537 -4.144 9.469 542 2HH1 ARG 72 1HH2 ARG 72 5.077 -2.479 9.310 543 1HH2 ARG 72 2HH1 ARG 72 7.542 -1.277 11.523 544 2HH2 ARG 72 1HH1 ARG 72 6.090 -0.854 10.668 545 H SER 73 H SER 73 8.623 -5.357 8.075 546 HA SER 73 HA SER 73 10.045 -7.390 6.629 547 1HB SER 73 1HB SER 73 7.685 -8.260 8.379 548 2HB SER 73 2HB SER 73 8.561 -9.271 7.220 549 HG SER 73 HG SER 73 10.406 -8.339 8.808 550 H ILE 74 H ILE 74 8.413 -8.348 4.958 551 HA ILE 74 HA ILE 74 6.179 -6.495 4.456 552 HB ILE 74 HB ILE 74 6.795 -6.641 2.003 553 1HG1 ILE 74 1HG1 ILE 74 9.584 -7.333 2.933 554 2HG1 ILE 74 2HG1 ILE 74 8.450 -8.515 2.253 555 1HG2 ILE 74 1HG2 ILE 74 7.103 -4.635 3.502 556 2HG2 ILE 74 2HG2 ILE 74 8.256 -4.699 2.175 557 3HG2 ILE 74 3HG2 ILE 74 8.769 -5.167 3.806 558 1HD1 ILE 74 1HD1 ILE 74 9.494 -6.016 0.857 559 2HD1 ILE 74 2HD1 ILE 74 8.152 -7.013 0.249 560 3HD1 ILE 74 3HD1 ILE 74 9.753 -7.702 0.407 561 HA PRO 75 HA PRO 75 4.599 -6.647 2.416 562 1HB PRO 75 2HB PRO 75 1.915 -7.113 2.629 563 2HB PRO 75 1HB PRO 75 2.949 -7.758 1.335 564 1HG PRO 75 1HG PRO 75 2.096 -9.118 3.904 565 2HG PRO 75 2HG PRO 75 2.014 -9.795 2.250 566 1HD PRO 75 1HD PRO 75 4.085 -10.379 3.942 567 2HD PRO 75 2HD PRO 75 4.361 -10.127 2.195 568 H THR 76 H THR 76 3.800 -4.856 3.199 569 HA THR 76 HA THR 76 2.627 -4.606 5.862 570 HB THR 76 HB THR 76 5.228 -3.242 5.058 571 HG1 THR 76 HG1 THR 76 5.711 -4.958 6.331 572 1HG2 THR 76 1HG2 THR 76 4.918 -1.875 7.120 573 2HG2 THR 76 2HG2 THR 76 3.700 -1.492 5.897 574 3HG2 THR 76 3HG2 THR 76 3.277 -2.533 7.280 575 H ILE 77 H ILE 77 0.816 -3.572 5.370 576 HA ILE 77 HA ILE 77 0.604 -2.058 2.808 577 HB ILE 77 HB ILE 77 -1.488 -3.511 4.455 578 1HG1 ILE 77 1HG1 ILE 77 -0.274 -4.175 1.733 579 2HG1 ILE 77 2HG1 ILE 77 0.104 -5.016 3.242 580 1HG2 ILE 77 1HG2 ILE 77 -2.994 -2.970 2.565 581 2HG2 ILE 77 2HG2 ILE 77 -2.387 -1.498 3.303 582 3HG2 ILE 77 3HG2 ILE 77 -1.674 -2.067 1.779 583 1HD1 ILE 77 1HD1 ILE 77 -1.460 -6.366 2.099 584 2HD1 ILE 77 2HD1 ILE 77 -2.321 -5.629 3.464 585 3HD1 ILE 77 3HD1 ILE 77 -2.564 -5.016 1.806 586 H MET 78 H MET 78 0.955 0.064 3.298 587 HA MET 78 HA MET 78 0.030 1.159 5.909 588 1HB MET 78 1HB MET 78 1.683 2.368 3.679 589 2HB MET 78 2HB MET 78 1.174 3.208 5.159 590 1HG MET 78 1HG MET 78 2.278 1.323 6.441 591 2HG MET 78 2HG MET 78 3.014 0.819 4.945 592 1HE MET 78 1HE MET 78 4.970 1.320 7.383 593 2HE MET 78 2HE MET 78 5.034 2.999 7.971 594 3HE MET 78 3HE MET 78 3.538 2.094 8.104 595 H VAL 79 H VAL 79 -1.679 2.431 6.085 596 HA VAL 79 HA VAL 79 -3.286 3.065 3.639 597 HB VAL 79 HB VAL 79 -4.130 2.802 6.557 598 1HG1 VAL 79 1HG1 VAL 79 -3.942 0.660 5.318 599 2HG1 VAL 79 2HG1 VAL 79 -5.635 1.058 5.660 600 3HG1 VAL 79 3HG1 VAL 79 -4.977 1.315 4.030 601 1HG2 VAL 79 1HG2 VAL 79 -5.621 3.895 4.126 602 2HG2 VAL 79 2HG2 VAL 79 -5.293 4.743 5.640 603 3HG2 VAL 79 3HG2 VAL 79 -6.423 3.401 5.635 604 H PHE 80 H PHE 80 -3.807 5.212 3.291 605 HA PHE 80 HA PHE 80 -2.840 7.244 5.237 606 1HB PHE 80 2HB PHE 80 -2.547 7.428 2.232 607 2HB PHE 80 1HB PHE 80 -2.027 8.574 3.414 608 HD1 PHE 80 HD1 PHE 80 -1.440 5.025 2.353 609 HD2 PHE 80 HD2 PHE 80 0.293 8.601 3.992 610 HE1 PHE 80 HE1 PHE 80 0.748 3.917 2.462 611 HE2 PHE 80 HE2 PHE 80 2.458 7.435 4.266 612 HZ PHE 80 HZ PHE 80 2.697 5.067 3.523 613 H LYS 81 HN LYS 81 -3.777 9.302 4.914 614 HA LYS 81 HA LYS 81 -6.211 9.638 3.357 615 1HB LYS 81 2HB LYS 81 -7.707 9.951 5.056 616 2HB LYS 81 1HB LYS 81 -6.809 8.596 5.731 617 1HG LYS 81 2HG LYS 81 -6.448 11.565 6.442 618 2HG LYS 81 1HG LYS 81 -7.336 10.383 7.378 619 1HD LYS 81 2HD LYS 81 -5.509 9.376 8.217 620 2HD LYS 81 1HD LYS 81 -4.478 9.661 6.811 621 1HE LYS 81 2HE LYS 81 -3.969 11.855 7.421 622 2HE LYS 81 1HE LYS 81 -5.283 11.927 8.620 623 1HZ LYS 81 1HZ LYS 81 -2.896 10.223 8.802 624 2HZ LYS 81 2HZ LYS 81 -3.146 11.625 9.631 625 3HZ LYS 81 3HZ LYS 81 -4.105 10.315 9.914 626 H GLY 82 H GLY 82 -6.434 12.015 3.019 627 1HA GLY 82 2HA GLY 82 -5.547 14.187 2.975 628 2HA GLY 82 1HA GLY 82 -5.205 13.832 4.703 629 H GLY 83 H GLY 83 -3.767 12.193 1.873 630 1HA GLY 83 1HA GLY 83 -1.622 12.045 1.144 631 2HA GLY 83 2HA GLY 83 -1.216 13.499 2.051 632 H LYS 84 HN LYS 84 -1.618 12.752 4.646 633 HA LYS 84 HA LYS 84 0.741 11.073 5.090 634 1HB LYS 84 2HB LYS 84 -1.089 12.460 7.081 635 2HB LYS 84 1HB LYS 84 0.467 11.699 7.446 636 1HG LYS 84 1HG LYS 84 1.494 13.236 5.652 637 2HG LYS 84 2HG LYS 84 -0.001 14.166 5.725 638 1HD LYS 84 1HD LYS 84 1.923 13.540 8.029 639 2HD LYS 84 2HD LYS 84 1.773 15.090 7.201 640 1HE LYS 84 1HE LYS 84 -0.345 13.749 8.958 641 2HE LYS 84 2HE LYS 84 0.610 15.183 9.350 642 1HZ LYS 84 1HZ LYS 84 -1.364 14.982 7.187 643 2HZ LYS 84 2HZ LYS 84 -1.561 15.773 8.618 644 3HZ LYS 84 3HZ LYS 84 -0.453 16.314 7.525 645 H LYS 85 HN LYS 85 0.835 9.507 6.849 646 HA LYS 85 HA LYS 85 -0.800 7.274 6.144 647 1HB LYS 85 2HB LYS 85 1.643 7.295 6.867 648 2HB LYS 85 1HB LYS 85 1.060 7.500 8.524 649 1HG LYS 85 1HG LYS 85 -0.263 5.307 8.205 650 2HG LYS 85 2HG LYS 85 0.388 5.250 6.565 651 1HD LYS 85 2HD LYS 85 1.805 3.832 7.613 652 2HD LYS 85 1HD LYS 85 2.738 5.312 7.751 653 1HE LYS 85 1HE LYS 85 0.955 4.029 9.898 654 2HE LYS 85 2HE LYS 85 2.722 3.998 9.855 655 1HZ LYS 85 1HZ LYS 85 1.965 5.644 11.350 656 2HZ LYS 85 2HZ LYS 85 1.041 6.374 10.201 657 3HZ LYS 85 3HZ LYS 85 2.686 6.395 10.072 658 H CYS 86 H CYS 86 -2.256 6.111 7.379 659 HA CYS 86 HA CYS 86 -3.582 7.537 9.651 660 1HB CYS 86 1HB CYS 86 -4.831 7.291 7.405 661 2HB CYS 86 2HB CYS 86 -4.940 5.574 7.768 662 HG CYS 86 HG CYS 86 -5.938 5.975 10.235 663 H GLU 87 HN GLU 87 -3.319 4.222 8.233 664 HA GLU 87 HA GLU 87 -2.430 3.120 10.832 665 1HB GLU 87 1HB GLU 87 -4.600 1.782 9.158 666 2HB GLU 87 2HB GLU 87 -3.972 1.287 10.723 667 1HG GLU 87 2HG GLU 87 -5.815 2.273 11.544 668 2HG GLU 87 1HG GLU 87 -4.809 3.721 11.456 669 H THR 88 H THR 88 -2.026 0.554 10.282 670 HA THR 88 HA THR 88 -0.986 0.122 7.608 671 HB THR 88 HB THR 88 0.827 0.239 10.067 672 HG1 THR 88 HG1 THR 88 0.203 2.034 8.174 673 1HG2 THR 88 1HG2 THR 88 2.655 -0.299 8.422 674 2HG2 THR 88 2HG2 THR 88 1.402 -0.695 7.221 675 3HG2 THR 88 3HG2 THR 88 1.543 -1.641 8.716 676 H ILE 89 H ILE 89 -1.149 -2.020 7.124 677 HA ILE 89 HA ILE 89 -1.715 -3.968 9.329 678 HB ILE 89 HB ILE 89 -2.388 -4.176 6.363 679 1HG1 ILE 89 1HG1 ILE 89 -3.770 -2.410 7.238 680 2HG1 ILE 89 2HG1 ILE 89 -4.724 -3.876 7.033 681 1HG2 ILE 89 1HG2 ILE 89 -3.880 -6.024 7.173 682 2HG2 ILE 89 2HG2 ILE 89 -2.160 -6.369 7.336 683 3HG2 ILE 89 3HG2 ILE 89 -3.106 -5.907 8.766 684 1HD1 ILE 89 1HD1 ILE 89 -5.315 -2.709 9.096 685 2HD1 ILE 89 2HD1 ILE 89 -3.667 -2.838 9.702 686 3HD1 ILE 89 3HD1 ILE 89 -4.646 -4.305 9.470 687 H ILE 90 H ILE 90 -0.625 -6.057 9.062 688 HA ILE 90 HA ILE 90 1.905 -5.954 7.491 689 HB ILE 90 HB ILE 90 1.700 -6.660 10.449 690 1HG1 ILE 90 1HG1 ILE 90 3.062 -4.241 9.177 691 2HG1 ILE 90 2HG1 ILE 90 1.511 -4.177 10.022 692 1HG2 ILE 90 1HG2 ILE 90 4.106 -6.451 8.566 693 2HG2 ILE 90 2HG2 ILE 90 3.430 -7.960 9.215 694 3HG2 ILE 90 3HG2 ILE 90 4.188 -6.818 10.301 695 1HD1 ILE 90 1HD1 ILE 90 4.144 -4.894 11.331 696 2HD1 ILE 90 2HD1 ILE 90 3.166 -3.440 11.545 697 3HD1 ILE 90 3HD1 ILE 90 2.545 -5.006 12.096 698 H GLY 91 H GLY 91 2.500 -7.935 6.688 699 1HA GLY 91 2HA GLY 91 2.578 -10.219 6.458 700 2HA GLY 91 1HA GLY 91 1.444 -10.432 7.799 701 H ALA 92 H ALA 92 1.356 -11.915 5.383 702 HA ALA 92 HA ALA 92 -0.642 -10.833 3.580 703 1HB ALA 92 1HB ALA 92 1.033 -12.401 2.792 704 2HB ALA 92 2HB ALA 92 -0.581 -13.104 2.615 705 3HB ALA 92 3HB ALA 92 0.475 -13.645 3.938 706 H VAL 93 H VAL 93 -2.087 -10.247 5.502 707 HA VAL 93 HA VAL 93 -3.754 -12.450 6.537 708 HB VAL 93 HB VAL 93 -5.245 -10.547 7.281 709 1HG1 VAL 93 1HG2 VAL 93 -4.302 -8.873 5.600 710 2HG1 VAL 93 2HG2 VAL 93 -2.880 -8.742 6.647 711 3HG1 VAL 93 3HG2 VAL 93 -4.483 -8.313 7.272 712 1HG2 VAL 93 1HG1 VAL 93 -2.344 -10.559 8.234 713 2HG2 VAL 93 2HG1 VAL 93 -3.733 -9.916 9.135 714 3HG2 VAL 93 3HG1 VAL 93 -3.633 -11.651 8.786 715 HA PRO 94 HA PRO 94 -6.295 -12.884 3.002 716 1HB PRO 94 2HB PRO 94 -8.757 -12.520 4.661 717 2HB PRO 94 1HB PRO 94 -8.376 -13.838 3.528 718 1HG PRO 94 2HG PRO 94 -8.154 -14.249 6.220 719 2HG PRO 94 1HG PRO 94 -6.930 -14.900 5.090 720 1HD PRO 94 2HD PRO 94 -6.740 -12.435 6.822 721 2HD PRO 94 1HD PRO 94 -5.519 -13.693 6.472 722 H LYS 95 HN LYS 95 -7.381 -11.730 1.454 723 HA LYS 95 HA LYS 95 -7.195 -8.914 1.687 724 1HB LYS 95 1HB LYS 95 -7.235 -10.491 -0.433 725 2HB LYS 95 2HB LYS 95 -8.976 -10.249 -0.359 726 1HG LYS 95 1HG LYS 95 -8.253 -8.465 -1.750 727 2HG LYS 95 2HG LYS 95 -8.425 -7.697 -0.184 728 1HD LYS 95 2HD LYS 95 -5.928 -8.063 0.208 729 2HD LYS 95 1HD LYS 95 -5.809 -8.677 -1.438 730 1HE LYS 95 2HE LYS 95 -6.434 -6.521 -2.345 731 2HE LYS 95 1HE LYS 95 -6.898 -5.910 -0.738 732 1HZ LYS 95 1HZ LYS 95 -4.761 -5.128 -1.398 733 2HZ LYS 95 2HZ LYS 95 -4.191 -6.668 -1.543 734 3HZ LYS 95 3HZ LYS 95 -4.633 -6.087 -0.065 735 H ALA 96 H ALA 96 -9.893 -11.132 1.893 736 HA ALA 96 HA ALA 96 -12.061 -9.408 2.282 737 1HB ALA 96 1HB ALA 96 -13.015 -11.145 3.771 738 2HB ALA 96 2HB ALA 96 -11.423 -11.924 3.898 739 3HB ALA 96 3HB ALA 96 -12.266 -11.867 2.333 740 H THR 97 H THR 97 -9.609 -10.387 4.781 741 HA THR 97 HA THR 97 -10.680 -8.880 6.924 742 HB THR 97 HB THR 97 -7.751 -9.592 6.416 743 HG1 THR 97 HG1 THR 97 -9.887 -11.223 7.338 744 1HG2 THR 97 1HG2 THR 97 -7.672 -9.964 8.817 745 2HG2 THR 97 2HG2 THR 97 -8.149 -8.296 8.458 746 3HG2 THR 97 3HG2 THR 97 -9.373 -9.479 8.984 747 H ILE 98 H ILE 98 -8.108 -8.190 4.509 748 HA ILE 98 HA ILE 98 -7.415 -5.602 5.424 749 HB ILE 98 HB ILE 98 -7.287 -6.849 2.646 750 1HG1 ILE 98 2HG1 ILE 98 -5.083 -6.228 4.658 751 2HG1 ILE 98 1HG1 ILE 98 -5.950 -7.766 4.646 752 1HG2 ILE 98 1HG2 ILE 98 -6.100 -4.215 3.640 753 2HG2 ILE 98 2HG2 ILE 98 -5.687 -4.991 2.101 754 3HG2 ILE 98 3HG2 ILE 98 -7.318 -4.397 2.361 755 1HD1 ILE 98 1HD1 ILE 98 -4.375 -6.747 2.251 756 2HD1 ILE 98 2HD1 ILE 98 -3.780 -7.884 3.466 757 3HD1 ILE 98 3HD1 ILE 98 -5.151 -8.331 2.451 758 H VAL 99 H VAL 99 -9.725 -6.405 2.760 759 HA VAL 99 HA VAL 99 -10.629 -3.839 2.184 760 HB VAL 99 HB VAL 99 -12.013 -6.552 2.119 761 1HG1 VAL 99 1HG1 VAL 99 -13.843 -4.955 2.210 762 2HG1 VAL 99 2HG1 VAL 99 -13.019 -3.881 1.058 763 3HG1 VAL 99 3HG1 VAL 99 -13.644 -5.458 0.531 764 1HG2 VAL 99 1HG2 VAL 99 -10.905 -4.759 -0.091 765 2HG2 VAL 99 2HG2 VAL 99 -10.043 -6.147 0.591 766 3HG2 VAL 99 3HG2 VAL 99 -11.563 -6.399 -0.280 767 H GLN 100 H GLN 100 -12.137 -6.140 4.533 768 HA GLN 100 HA GLN 100 -14.134 -4.337 5.451 769 1HB GLN 100 2HB GLN 100 -12.833 -6.852 6.449 770 2HB GLN 100 1HB GLN 100 -13.571 -5.840 7.678 771 1HG GLN 100 1HG GLN 100 -15.091 -7.573 6.778 772 2HG GLN 100 2HG GLN 100 -15.713 -5.919 6.729 773 1HE2 GLN 100 1HE2 GLN 100 -13.570 -7.754 4.410 774 2HE2 GLN 100 2HE2 GLN 100 -14.658 -7.474 3.057 775 H THR 101 H THR 101 -10.824 -4.899 6.694 776 HA THR 101 HA THR 101 -10.991 -3.001 8.816 777 HB THR 101 HB THR 101 -8.548 -3.984 7.279 778 HG1 THR 101 HG1 THR 101 -9.674 -5.697 8.123 779 1HG2 THR 101 1HG2 THR 101 -7.435 -3.595 9.506 780 2HG2 THR 101 2HG2 THR 101 -8.886 -2.718 10.034 781 3HG2 THR 101 3HG2 THR 101 -7.934 -2.123 8.651 782 H VAL 102 H VAL 102 -9.998 -2.592 5.387 783 HA VAL 102 HA VAL 102 -9.146 0.135 5.640 784 HB VAL 102 HB VAL 102 -10.085 -1.564 3.296 785 1HG1 VAL 102 1HG1 VAL 102 -7.830 -2.052 4.402 786 2HG1 VAL 102 2HG1 VAL 102 -7.744 -1.591 2.696 787 3HG1 VAL 102 3HG1 VAL 102 -7.343 -0.412 3.965 788 1HG2 VAL 102 1HG2 VAL 102 -9.157 0.220 1.833 789 2HG2 VAL 102 2HG2 VAL 102 -10.610 0.753 2.681 790 3HG2 VAL 102 3HG2 VAL 102 -9.008 1.285 3.244 791 H GLU 103 HN GLU 103 -12.247 -1.347 4.666 792 HA GLU 103 HA GLU 103 -13.683 1.053 4.240 793 1HB GLU 103 1HB GLU 103 -14.536 -1.730 5.124 794 2HB GLU 103 2HB GLU 103 -15.682 -0.443 4.722 795 1HG GLU 103 1HG GLU 103 -14.885 -0.256 2.467 796 2HG GLU 103 2HG GLU 103 -13.534 -1.353 2.759 797 H LYS 104 HN LYS 104 -13.322 -0.928 7.169 798 HA LYS 104 HA LYS 104 -14.850 0.575 8.998 799 1HB LYS 104 1HB LYS 104 -13.961 -1.510 9.695 800 2HB LYS 104 2HB LYS 104 -12.338 -1.078 9.196 801 1HG LYS 104 2HG LYS 104 -12.430 0.713 11.140 802 2HG LYS 104 1HG LYS 104 -13.750 -0.294 11.733 803 1HD LYS 104 1HD LYS 104 -10.898 -1.159 11.011 804 2HD LYS 104 2HD LYS 104 -11.486 -0.852 12.648 805 1HE LYS 104 2HE LYS 104 -13.104 -2.725 12.447 806 2HE LYS 104 1HE LYS 104 -12.559 -3.043 10.791 807 1HZ LYS 104 1HZ LYS 104 -10.880 -3.234 13.183 808 2HZ LYS 104 2HZ LYS 104 -11.527 -4.496 12.345 809 3HZ LYS 104 3HZ LYS 104 -10.398 -3.533 11.634 810 H TYR 105 H TYR 105 -11.351 0.983 8.142 811 HA TYR 105 HA TYR 105 -11.022 3.290 9.813 812 1HB TYR 105 1HB TYR 105 -9.466 2.567 7.303 813 2HB TYR 105 2HB TYR 105 -8.964 3.616 8.631 814 HD1 TYR 105 HD1 TYR 105 -7.508 1.215 7.377 815 HD2 TYR 105 HD2 TYR 105 -9.840 1.753 10.967 816 HE1 TYR 105 HE1 TYR 105 -5.966 -0.275 8.611 817 HE2 TYR 105 HE2 TYR 105 -8.346 0.213 12.168 818 HH TYR 105 HH TYR 105 -6.408 -1.043 12.071 819 H LEU 106 H LEU 106 -11.770 2.991 6.337 820 HA LEU 106 HA LEU 106 -12.148 5.955 6.125 821 1HB LEU 106 2HB LEU 106 -11.483 3.835 4.048 822 2HB LEU 106 1HB LEU 106 -11.764 5.549 3.696 823 HG LEU 106 HG LEU 106 -9.531 4.478 5.492 824 1HD1 LEU 106 1HD2 LEU 106 -8.540 6.734 5.113 825 2HD1 LEU 106 2HD2 LEU 106 -10.062 6.826 6.005 826 3HD1 LEU 106 3HD2 LEU 106 -10.022 7.236 4.274 827 1HD2 LEU 106 1HD1 LEU 106 -9.498 5.320 2.567 828 2HD2 LEU 106 2HD1 LEU 106 -8.066 4.918 3.547 829 3HD2 LEU 106 3HD1 LEU 106 -9.284 3.679 3.206 830 H ASN 107 H ASN 107 -13.401 3.718 3.697 831 HA ASN 107 HA ASN 107 -16.012 3.379 4.643 832 1HB ASN 107 2HB ASN 107 -15.932 5.930 4.034 833 2HB ASN 107 1HB ASN 107 -15.726 5.394 2.366 834 1HD2 ASN 107 1HD2 ASN 107 -17.563 3.135 2.408 835 2HD2 ASN 107 2HD2 ASN 107 -19.183 3.816 2.619 Start of MODEL 10 1 1H MET 1 1H MET 1 0.015 -3.710 -11.696 2 2H MET 1 2H MET 1 -0.521 -2.272 -11.030 3 3H MET 1 3H MET 1 -1.425 -3.614 -10.874 4 HA MET 1 HA MET 1 -0.832 -2.315 -13.428 5 1HB MET 1 2HB MET 1 -1.262 -4.664 -13.754 6 2HB MET 1 1HB MET 1 -2.615 -4.655 -12.640 7 1HG MET 1 1HG MET 1 -3.515 -4.696 -14.876 8 2HG MET 1 2HG MET 1 -3.832 -3.093 -14.287 9 1HE MET 1 1HE MET 1 -3.279 -2.240 -17.977 10 2HE MET 1 2HE MET 1 -4.279 -1.970 -16.531 11 3HE MET 1 3HE MET 1 -4.167 -3.599 -17.248 12 H GLU 2 HN GLU 2 -3.945 -3.199 -11.858 13 HA GLU 2 HA GLU 2 -5.014 -0.555 -12.219 14 1HB GLU 2 2HB GLU 2 -5.938 -2.676 -10.233 15 2HB GLU 2 1HB GLU 2 -6.870 -1.331 -10.900 16 1HG GLU 2 2HG GLU 2 -7.627 -2.901 -12.384 17 2HG GLU 2 1HG GLU 2 -6.101 -2.630 -13.227 18 H ALA 3 H ALA 3 -3.401 -2.289 -9.604 19 HA ALA 3 HA ALA 3 -3.238 0.089 -7.856 20 1HB ALA 3 1HB ALA 3 -3.347 -2.150 -6.811 21 2HB ALA 3 2HB ALA 3 -1.765 -1.403 -6.504 22 3HB ALA 3 3HB ALA 3 -1.945 -2.662 -7.749 23 H GLY 4 H GLY 4 -1.494 1.550 -8.078 24 1HA GLY 4 2HA GLY 4 0.220 1.244 -10.434 25 2HA GLY 4 1HA GLY 4 0.220 2.574 -9.272 26 H ALA 5 H ALA 5 2.654 2.094 -9.883 27 HA ALA 5 HA ALA 5 3.827 0.377 -7.750 28 1HB ALA 5 1HB ALA 5 4.229 -0.685 -9.936 29 2HB ALA 5 2HB ALA 5 4.892 0.841 -10.566 30 3HB ALA 5 3HB ALA 5 5.730 -0.022 -9.257 31 H VAL 6 H VAL 6 5.336 1.534 -6.495 32 HA VAL 6 HA VAL 6 6.142 4.241 -7.450 33 HB VAL 6 HB VAL 6 5.812 4.944 -4.947 34 1HG1 VAL 6 1HG1 VAL 6 3.706 2.750 -5.067 35 2HG1 VAL 6 2HG1 VAL 6 3.935 3.953 -3.786 36 3HG1 VAL 6 3HG1 VAL 6 5.177 2.735 -4.092 37 1HG2 VAL 6 1HG2 VAL 6 4.671 6.082 -6.657 38 2HG2 VAL 6 2HG2 VAL 6 3.561 4.731 -6.941 39 3HG2 VAL 6 3HG2 VAL 6 3.481 5.655 -5.417 40 H ASN 7 H ASN 7 7.785 5.212 -6.127 41 HA ASN 7 HA ASN 7 9.549 3.484 -4.606 42 1HB ASN 7 2HB ASN 7 10.480 3.131 -6.801 43 2HB ASN 7 1HB ASN 7 10.343 4.853 -7.218 44 1HD2 ASN 7 2HD2 ASN 7 11.841 2.929 -4.509 45 2HD2 ASN 7 1HD2 ASN 7 13.432 3.606 -4.708 46 H ASP 8 HN ASP 8 11.338 5.013 -3.816 47 HA ASP 8 HA ASP 8 10.463 6.893 -2.076 48 1HB ASP 8 1HB ASP 8 12.806 6.078 -2.325 49 2HB ASP 8 2HB ASP 8 13.052 7.159 -3.683 50 H ASP 9 HN ASP 9 11.570 7.657 -5.327 51 HA ASP 9 HA ASP 9 11.107 10.462 -5.320 52 1HB ASP 9 2HB ASP 9 12.425 9.394 -7.053 53 2HB ASP 9 1HB ASP 9 11.063 8.434 -7.611 54 H THR 10 H THR 10 9.081 8.155 -7.154 55 HA THR 10 HA THR 10 6.932 9.897 -7.610 56 HB THR 10 HB THR 10 5.698 7.687 -8.040 57 HG1 THR 10 HG1 THR 10 7.260 5.908 -8.129 58 1HG2 THR 10 1HG2 THR 10 8.439 8.067 -9.336 59 2HG2 THR 10 2HG2 THR 10 6.954 8.923 -9.787 60 3HG2 THR 10 3HG2 THR 10 7.067 7.171 -10.018 61 H PHE 11 H PHE 11 7.486 7.756 -4.870 62 HA PHE 11 HA PHE 11 5.159 7.622 -3.483 63 1HB PHE 11 2HB PHE 11 7.458 6.855 -2.788 64 2HB PHE 11 1HB PHE 11 7.821 8.489 -2.289 65 HD1 PHE 11 HD1 PHE 11 7.136 9.302 -0.141 66 HD2 PHE 11 HD2 PHE 11 5.710 5.521 -1.623 67 HE1 PHE 11 HE1 PHE 11 6.396 8.691 2.136 68 HE2 PHE 11 HE2 PHE 11 4.889 4.941 0.646 69 HZ PHE 11 HZ PHE 11 5.221 6.535 2.531 70 H LYS 12 HN LYS 12 7.308 10.342 -3.623 71 HA LYS 12 HA LYS 12 6.214 12.138 -1.740 72 1HB LYS 12 2HB LYS 12 7.447 12.778 -4.451 73 2HB LYS 12 1HB LYS 12 7.250 13.930 -3.142 74 1HG LYS 12 1HG LYS 12 8.872 11.356 -2.885 75 2HG LYS 12 2HG LYS 12 9.571 12.862 -3.444 76 1HD LYS 12 1HD LYS 12 9.768 13.692 -1.357 77 2HD LYS 12 2HD LYS 12 8.122 13.251 -0.915 78 1HE LYS 12 2HE LYS 12 9.787 12.093 0.504 79 2HE LYS 12 1HE LYS 12 8.806 10.948 -0.419 80 1HZ LYS 12 1HZ LYS 12 10.588 10.656 -1.936 81 2HZ LYS 12 2HZ LYS 12 11.501 11.820 -1.203 82 3HZ LYS 12 3HZ LYS 12 11.155 10.415 -0.416 83 H ASN 13 H ASN 13 5.362 11.702 -5.172 84 HA ASN 13 HA ASN 13 3.246 13.749 -5.069 85 1HB ASN 13 1HB ASN 13 4.247 11.839 -7.238 86 2HB ASN 13 2HB ASN 13 3.011 13.060 -7.474 87 1HD2 ASN 13 1HD2 ASN 13 3.750 15.391 -6.588 88 2HD2 ASN 13 2HD2 ASN 13 5.361 15.842 -7.114 89 H VAL 14 H VAL 14 3.524 10.291 -5.838 90 HA VAL 14 HA VAL 14 0.729 9.876 -6.218 91 HB VAL 14 HB VAL 14 3.049 7.956 -5.746 92 1HG1 VAL 14 1HG1 VAL 14 3.015 7.722 -8.223 93 2HG1 VAL 14 2HG1 VAL 14 1.752 8.964 -8.320 94 3HG1 VAL 14 3HG1 VAL 14 3.380 9.383 -7.754 95 1HG2 VAL 14 1HG2 VAL 14 0.977 6.728 -5.382 96 2HG2 VAL 14 2HG2 VAL 14 0.250 7.449 -6.840 97 3HG2 VAL 14 3HG2 VAL 14 1.600 6.310 -6.984 98 H VAL 15 H VAL 15 2.833 9.439 -3.346 99 HA VAL 15 HA VAL 15 0.538 8.236 -1.872 100 HB VAL 15 HB VAL 15 3.489 8.204 -1.140 101 1HG1 VAL 15 1HG1 VAL 15 1.089 6.682 -0.083 102 2HG1 VAL 15 2HG1 VAL 15 2.779 6.472 0.427 103 3HG1 VAL 15 3HG1 VAL 15 1.958 7.984 0.761 104 1HG2 VAL 15 1HG2 VAL 15 3.437 5.865 -1.924 105 2HG2 VAL 15 2HG2 VAL 15 3.133 6.974 -3.259 106 3HG2 VAL 15 3HG2 VAL 15 1.788 6.097 -2.529 107 H LEU 16 H LEU 16 3.267 10.527 -1.232 108 HA LEU 16 HA LEU 16 1.999 11.380 1.220 109 1HB LEU 16 2HB LEU 16 4.249 12.602 -0.420 110 2HB LEU 16 1HB LEU 16 3.713 13.242 1.113 111 HG LEU 16 HG LEU 16 4.895 10.481 0.568 112 1HD1 LEU 16 1HD2 LEU 16 6.792 11.300 1.903 113 2HD1 LEU 16 2HD2 LEU 16 5.959 12.846 2.174 114 3HD1 LEU 16 3HD2 LEU 16 6.491 12.395 0.545 115 1HD2 LEU 16 1HD1 LEU 16 3.859 11.672 3.173 116 2HD2 LEU 16 2HD1 LEU 16 4.970 10.297 3.112 117 3HD2 LEU 16 3HD1 LEU 16 3.364 10.140 2.406 118 H GLU 17 HN GLU 17 2.617 13.475 -1.634 119 HA GLU 17 HA GLU 17 0.491 15.275 -0.730 120 1HB GLU 17 1HB GLU 17 2.154 15.331 -3.288 121 2HB GLU 17 2HB GLU 17 1.202 16.655 -2.599 122 1HG GLU 17 2HG GLU 17 3.722 15.401 -1.409 123 2HG GLU 17 1HG GLU 17 3.534 17.025 -2.064 124 H SER 18 H SER 18 -0.832 13.050 -0.972 125 HA SER 18 HA SER 18 -2.136 12.783 -3.597 126 1HB SER 18 1HB SER 18 -3.256 10.891 -2.318 127 2HB SER 18 2HB SER 18 -1.496 10.765 -2.493 128 HG SER 18 HG SER 18 -1.279 10.948 -0.399 129 H SER 19 H SER 19 -4.492 12.823 -3.741 130 HA SER 19 HA SER 19 -5.800 14.895 -2.099 131 1HB SER 19 2HB SER 19 -7.565 14.459 -3.927 132 2HB SER 19 1HB SER 19 -6.018 15.151 -4.461 133 HG SER 19 HG SER 19 -6.596 13.374 -5.782 134 H VAL 20 H VAL 20 -6.758 11.825 -3.537 135 HA VAL 20 HA VAL 20 -8.486 11.026 -1.265 136 HB VAL 20 HB VAL 20 -8.866 9.005 -2.606 137 1HG1 VAL 20 1HG1 VAL 20 -7.049 10.211 -4.734 138 2HG1 VAL 20 2HG1 VAL 20 -6.672 8.792 -3.735 139 3HG1 VAL 20 3HG1 VAL 20 -8.028 8.742 -4.865 140 1HG2 VAL 20 1HG2 VAL 20 -10.104 10.051 -4.427 141 2HG2 VAL 20 2HG2 VAL 20 -10.268 11.007 -2.944 142 3HG2 VAL 20 3HG2 VAL 20 -9.179 11.555 -4.239 143 HA PRO 21 HA PRO 21 -5.294 8.945 0.877 144 1HB PRO 21 1HB PRO 21 -6.940 6.524 1.365 145 2HB PRO 21 2HB PRO 21 -6.266 7.651 2.563 146 1HG PRO 21 2HG PRO 21 -8.923 7.538 1.949 147 2HG PRO 21 1HG PRO 21 -8.126 9.068 2.420 148 1HD PRO 21 2HD PRO 21 -8.842 8.147 -0.380 149 2HD PRO 21 1HD PRO 21 -9.040 9.721 0.354 150 H VAL 22 H VAL 22 -3.996 6.962 0.854 151 HA VAL 22 HA VAL 22 -3.998 5.579 -1.801 152 HB VAL 22 HB VAL 22 -1.637 6.876 -0.378 153 1HG1 VAL 22 1HG1 VAL 22 -1.946 5.483 -3.064 154 2HG1 VAL 22 2HG1 VAL 22 -0.911 5.015 -1.712 155 3HG1 VAL 22 3HG1 VAL 22 -0.553 6.476 -2.639 156 1HG2 VAL 22 1HG2 VAL 22 -1.703 8.515 -2.218 157 2HG2 VAL 22 2HG2 VAL 22 -3.092 8.649 -1.158 158 3HG2 VAL 22 3HG2 VAL 22 -3.262 7.873 -2.746 159 H LEU 23 H LEU 23 -4.150 3.430 -1.413 160 HA LEU 23 HA LEU 23 -3.078 2.172 1.028 161 1HB LEU 23 2HB LEU 23 -5.235 1.527 -0.051 162 2HB LEU 23 1HB LEU 23 -4.374 0.958 -1.463 163 HG LEU 23 HG LEU 23 -3.906 -0.143 1.348 164 1HD1 LEU 23 1HD2 LEU 23 -3.205 -2.197 -0.013 165 2HD1 LEU 23 2HD2 LEU 23 -2.094 -0.834 -0.123 166 3HD1 LEU 23 3HD2 LEU 23 -3.226 -1.168 -1.450 167 1HD2 LEU 23 1HD1 LEU 23 -5.792 -1.149 -0.824 168 2HD2 LEU 23 2HD1 LEU 23 -6.277 -0.408 0.718 169 3HD2 LEU 23 3HD1 LEU 23 -5.441 -1.967 0.714 170 H VAL 24 H VAL 24 -0.833 2.041 1.040 171 HA VAL 24 HA VAL 24 0.604 1.348 -1.484 172 HB VAL 24 HB VAL 24 1.661 2.446 1.151 173 1HG1 VAL 24 1HG1 VAL 24 3.346 1.077 -0.056 174 2HG1 VAL 24 2HG1 VAL 24 3.743 2.791 -0.167 175 3HG1 VAL 24 3HG1 VAL 24 3.000 1.966 -1.553 176 1HG2 VAL 24 1HG2 VAL 24 2.093 4.472 -0.224 177 2HG2 VAL 24 2HG2 VAL 24 0.369 4.164 0.026 178 3HG2 VAL 24 3HG2 VAL 24 1.134 3.772 -1.540 179 H ASP 25 HN ASP 25 0.977 -0.821 -1.701 180 HA ASP 25 HA ASP 25 1.344 -2.505 0.728 181 1HB ASP 25 1HB ASP 25 -0.017 -3.472 -1.041 182 2HB ASP 25 2HB ASP 25 1.280 -3.208 -2.221 183 H PHE 26 H PHE 26 3.428 -2.368 1.612 184 HA PHE 26 HA PHE 26 5.711 -1.661 -0.127 185 1HB PHE 26 1HB PHE 26 5.481 -2.435 2.793 186 2HB PHE 26 2HB PHE 26 7.011 -2.288 1.956 187 HD1 PHE 26 HD1 PHE 26 3.849 -0.214 2.354 188 HD2 PHE 26 HD2 PHE 26 8.165 -0.282 2.164 189 HE1 PHE 26 HE1 PHE 26 3.916 2.178 2.908 190 HE2 PHE 26 HE2 PHE 26 8.227 2.067 2.922 191 HZ PHE 26 HZ PHE 26 6.100 3.314 3.314 192 H TRP 27 H TRP 27 6.507 -3.227 -1.447 193 HA TRP 27 HA TRP 27 6.293 -6.093 -0.626 194 1HB TRP 27 2HB TRP 27 5.479 -6.693 -2.796 195 2HB TRP 27 1HB TRP 27 4.458 -5.379 -2.257 196 HD1 TRP 27 HD1 TRP 27 5.356 -2.895 -3.277 197 HE1 TRP 27 HE1 TRP 27 6.485 -2.278 -5.531 198 HE3 TRP 27 HE3 TRP 27 6.436 -7.602 -4.951 199 HZ2 TRP 27 HZ2 TRP 27 7.968 -3.675 -7.576 200 HZ3 TRP 27 HZ3 TRP 27 7.582 -7.914 -7.100 201 HH2 TRP 27 HH2 TRP 27 8.350 -5.967 -8.429 202 H ALA 28 H ALA 28 7.436 -7.321 -2.639 203 HA ALA 28 HA ALA 28 9.603 -6.032 -3.914 204 1HB ALA 28 1HB ALA 28 10.708 -6.170 -1.683 205 2HB ALA 28 2HB ALA 28 10.371 -7.922 -1.644 206 3HB ALA 28 3HB ALA 28 11.480 -7.251 -2.855 207 HA PRO 29 HA PRO 29 8.746 -9.641 -6.411 208 1HB PRO 29 1HB PRO 29 11.260 -10.251 -7.464 209 2HB PRO 29 2HB PRO 29 10.134 -8.996 -8.068 210 1HG PRO 29 1HG PRO 29 12.473 -8.625 -6.171 211 2HG PRO 29 2HG PRO 29 12.056 -7.646 -7.609 212 1HD PRO 29 2HD PRO 29 11.313 -6.732 -5.203 213 2HD PRO 29 1HD PRO 29 10.137 -6.727 -6.509 214 H TRP 30 H TRP 30 11.723 -10.004 -4.408 215 HA TRP 30 HA TRP 30 11.586 -12.859 -4.319 216 1HB TRP 30 1HB TRP 30 13.128 -12.623 -2.410 217 2HB TRP 30 2HB TRP 30 13.623 -11.706 -3.825 218 HD1 TRP 30 HD1 TRP 30 14.135 -9.223 -3.499 219 HE1 TRP 30 HE1 TRP 30 14.051 -7.554 -1.526 220 HE3 TRP 30 HE3 TRP 30 11.658 -12.103 -0.050 221 HZ2 TRP 30 HZ2 TRP 30 12.973 -7.446 1.111 222 HZ3 TRP 30 HZ3 TRP 30 11.028 -11.146 2.139 223 HH2 TRP 30 HH2 TRP 30 11.597 -8.794 2.696 224 H CYS 31 H CYS 31 9.626 -10.456 -2.706 225 HA CYS 31 HA CYS 31 9.127 -12.072 -0.305 226 1HB CYS 31 2HB CYS 31 9.121 -9.679 -0.101 227 2HB CYS 31 1HB CYS 31 7.885 -9.525 -1.352 228 H GLY 32 H GLY 32 8.497 -14.013 -1.441 229 1HA GLY 32 1HA GLY 32 6.378 -14.560 -3.057 230 2HA GLY 32 2HA GLY 32 6.741 -15.556 -1.643 231 HA PRO 33 HA PRO 33 3.066 -14.316 0.458 232 1HB PRO 33 1HB PRO 33 4.418 -12.386 2.329 233 2HB PRO 33 2HB PRO 33 3.289 -13.720 2.714 234 1HG PRO 33 1HG PRO 33 5.892 -13.995 3.161 235 2HG PRO 33 2HG PRO 33 4.981 -15.347 2.415 236 1HD PRO 33 1HD PRO 33 6.745 -13.331 1.012 237 2HD PRO 33 2HD PRO 33 6.641 -15.097 0.757 238 H CYS 34 H CYS 34 5.078 -11.605 -0.598 239 HA CYS 34 HA CYS 34 2.895 -9.637 -0.547 240 1HB CYS 34 2HB CYS 34 5.535 -9.419 -2.037 241 2HB CYS 34 1HB CYS 34 4.350 -8.184 -1.645 242 H ARG 35 HN ARG 35 4.873 -11.420 -2.880 243 HA ARG 35 HA ARG 35 3.813 -10.766 -5.326 244 1HB ARG 35 2HB ARG 35 5.747 -12.360 -4.574 245 2HB ARG 35 1HB ARG 35 4.528 -13.632 -4.605 246 1HG ARG 35 2HG ARG 35 4.041 -12.981 -7.020 247 2HG ARG 35 1HG ARG 35 5.445 -11.897 -6.932 248 1HD ARG 35 2HD ARG 35 5.396 -14.906 -6.515 249 2HD ARG 35 1HD ARG 35 6.114 -14.059 -7.894 250 HE ARG 35 HE ARG 35 7.606 -12.933 -6.069 251 1HH1 ARG 35 2HH2 ARG 35 6.683 -16.369 -6.074 252 2HH1 ARG 35 1HH2 ARG 35 7.989 -16.826 -5.017 253 1HH2 ARG 35 1HH1 ARG 35 9.243 -13.520 -4.782 254 2HH2 ARG 35 2HH1 ARG 35 9.486 -15.161 -4.221 255 H ILE 36 H ILE 36 2.659 -13.363 -3.140 256 HA ILE 36 HA ILE 36 0.491 -14.078 -4.920 257 HB ILE 36 HB ILE 36 -0.295 -15.545 -3.127 258 1HG1 ILE 36 2HG1 ILE 36 1.519 -15.712 -1.161 259 2HG1 ILE 36 1HG1 ILE 36 1.641 -13.978 -1.440 260 1HG2 ILE 36 1HG2 ILE 36 1.659 -16.990 -3.127 261 2HG2 ILE 36 2HG2 ILE 36 1.513 -16.189 -4.697 262 3HG2 ILE 36 3HG2 ILE 36 2.728 -15.635 -3.529 263 1HD1 ILE 36 1HD1 ILE 36 -0.851 -15.597 -0.730 264 2HD1 ILE 36 2HD1 ILE 36 0.001 -14.441 0.312 265 3HD1 ILE 36 3HD1 ILE 36 -0.896 -13.868 -1.107 266 H ILE 37 H ILE 37 0.595 -11.479 -2.449 267 HA ILE 37 HA ILE 37 -2.387 -11.352 -2.563 268 HB ILE 37 HB ILE 37 -2.219 -9.452 -1.078 269 1HG1 ILE 37 2HG1 ILE 37 0.734 -10.017 -0.773 270 2HG1 ILE 37 1HG1 ILE 37 0.125 -8.713 -1.811 271 1HG2 ILE 37 1HG2 ILE 37 -1.668 -10.723 0.917 272 2HG2 ILE 37 2HG2 ILE 37 -2.394 -11.825 -0.253 273 3HG2 ILE 37 3HG2 ILE 37 -0.635 -11.826 -0.008 274 1HD1 ILE 37 1HD1 ILE 37 -1.026 -7.711 0.111 275 2HD1 ILE 37 2HD1 ILE 37 0.736 -7.794 0.307 276 3HD1 ILE 37 3HD1 ILE 37 -0.298 -8.940 1.180 277 H ALA 38 H ALA 38 0.460 -9.893 -3.993 278 HA ALA 38 HA ALA 38 -0.230 -7.492 -4.940 279 1HB ALA 38 1HB ALA 38 1.216 -7.923 -6.855 280 2HB ALA 38 2HB ALA 38 0.971 -9.661 -6.715 281 3HB ALA 38 3HB ALA 38 1.852 -8.780 -5.448 282 HA PRO 39 HA PRO 39 -2.891 -8.993 -8.668 283 1HB PRO 39 1HB PRO 39 -4.117 -11.563 -7.838 284 2HB PRO 39 2HB PRO 39 -3.293 -11.170 -9.368 285 1HG PRO 39 2HG PRO 39 -2.148 -12.848 -7.517 286 2HG PRO 39 1HG PRO 39 -1.155 -11.676 -8.440 287 1HD PRO 39 2HD PRO 39 -2.381 -11.293 -5.700 288 2HD PRO 39 1HD PRO 39 -0.710 -11.118 -6.079 289 H VAL 40 H VAL 40 -3.669 -9.877 -5.385 290 HA VAL 40 HA VAL 40 -6.505 -9.294 -5.437 291 HB VAL 40 HB VAL 40 -4.597 -10.807 -3.885 292 1HG1 VAL 40 1HG1 VAL 40 -4.315 -8.957 -2.344 293 2HG1 VAL 40 2HG1 VAL 40 -5.154 -10.330 -1.632 294 3HG1 VAL 40 3HG1 VAL 40 -6.068 -8.871 -2.120 295 1HG2 VAL 40 1HG2 VAL 40 -7.585 -10.544 -3.673 296 2HG2 VAL 40 2HG2 VAL 40 -6.666 -11.660 -4.693 297 3HG2 VAL 40 3HG2 VAL 40 -6.584 -11.810 -2.930 298 H VAL 41 H VAL 41 -3.427 -7.730 -4.454 299 HA VAL 41 HA VAL 41 -4.571 -5.338 -3.369 300 HB VAL 41 HB VAL 41 -1.930 -5.708 -4.852 301 1HG1 VAL 41 1HG1 VAL 41 -0.901 -5.898 -2.646 302 2HG1 VAL 41 2HG1 VAL 41 -2.483 -5.729 -1.853 303 3HG1 VAL 41 3HG1 VAL 41 -2.111 -7.162 -2.814 304 1HG2 VAL 41 1HG2 VAL 41 -2.498 -3.342 -4.745 305 2HG2 VAL 41 2HG2 VAL 41 -1.213 -3.690 -3.588 306 3HG2 VAL 41 3HG2 VAL 41 -2.877 -3.477 -3.013 307 H ASP 42 HN ASP 42 -3.580 -6.269 -6.685 308 HA ASP 42 HA ASP 42 -4.438 -3.907 -8.030 309 1HB ASP 42 1HB ASP 42 -4.025 -6.791 -8.800 310 2HB ASP 42 2HB ASP 42 -4.885 -5.757 -9.925 311 H GLU 43 HN GLU 43 -6.293 -6.987 -7.525 312 HA GLU 43 HA GLU 43 -8.727 -6.151 -8.596 313 1HB GLU 43 2HB GLU 43 -8.303 -8.432 -7.543 314 2HB GLU 43 1HB GLU 43 -8.338 -7.573 -5.972 315 1HG GLU 43 1HG GLU 43 -10.392 -8.749 -6.297 316 2HG GLU 43 2HG GLU 43 -10.592 -7.003 -6.080 317 H ILE 44 H ILE 44 -7.492 -5.642 -5.280 318 HA ILE 44 HA ILE 44 -9.798 -4.296 -4.281 319 HB ILE 44 HB ILE 44 -6.898 -4.276 -3.382 320 1HG1 ILE 44 1HG1 ILE 44 -9.320 -5.486 -1.975 321 2HG1 ILE 44 2HG1 ILE 44 -8.540 -6.374 -3.263 322 1HG2 ILE 44 1HG2 ILE 44 -7.940 -2.217 -2.603 323 2HG2 ILE 44 2HG2 ILE 44 -7.927 -3.354 -1.239 324 3HG2 ILE 44 3HG2 ILE 44 -9.415 -3.130 -2.189 325 1HD1 ILE 44 1HD1 ILE 44 -7.251 -5.422 -0.672 326 2HD1 ILE 44 2HD1 ILE 44 -6.332 -6.136 -2.010 327 3HD1 ILE 44 3HD1 ILE 44 -7.552 -7.090 -1.165 328 H ALA 45 H ALA 45 -6.884 -3.066 -5.974 329 HA ALA 45 HA ALA 45 -7.472 -0.302 -5.769 330 1HB ALA 45 1HB ALA 45 -6.428 -1.645 -8.286 331 2HB ALA 45 2HB ALA 45 -5.423 -1.408 -6.851 332 3HB ALA 45 3HB ALA 45 -6.119 -0.014 -7.723 333 H GLY 46 H GLY 46 -8.986 -2.880 -7.718 334 1HA GLY 46 1HA GLY 46 -10.465 -1.085 -9.480 335 2HA GLY 46 2HA GLY 46 -10.698 -2.829 -9.237 336 H GLU 47 HN GLU 47 -11.200 -3.276 -6.692 337 HA GLU 47 HA GLU 47 -13.861 -2.596 -6.303 338 1HB GLU 47 2HB GLU 47 -11.836 -3.065 -4.061 339 2HB GLU 47 1HB GLU 47 -13.588 -3.207 -3.971 340 1HG GLU 47 2HG GLU 47 -13.301 -4.920 -5.973 341 2HG GLU 47 1HG GLU 47 -11.632 -4.989 -5.451 342 H TYR 48 H TYR 48 -11.125 -0.825 -4.884 343 HA TYR 48 HA TYR 48 -13.025 1.335 -3.985 344 1HB TYR 48 1HB TYR 48 -10.167 0.811 -3.134 345 2HB TYR 48 2HB TYR 48 -11.313 1.924 -2.382 346 HD1 TYR 48 HD1 TYR 48 -13.795 0.368 -2.127 347 HD2 TYR 48 HD2 TYR 48 -9.695 -0.817 -1.481 348 HE1 TYR 48 HE1 TYR 48 -14.561 -1.503 -0.726 349 HE2 TYR 48 HE2 TYR 48 -10.484 -2.716 -0.082 350 HH TYR 48 HH TYR 48 -13.947 -3.333 0.508 351 H LYS 49 HN LYS 49 -11.789 1.008 -6.796 352 HA LYS 49 HA LYS 49 -9.897 2.913 -7.357 353 1HB LYS 49 2HB LYS 49 -10.977 1.359 -8.989 354 2HB LYS 49 1HB LYS 49 -12.463 2.301 -8.907 355 1HG LYS 49 2HG LYS 49 -11.206 2.761 -10.933 356 2HG LYS 49 1HG LYS 49 -11.324 4.227 -9.947 357 1HD LYS 49 1HD LYS 49 -9.021 4.023 -9.222 358 2HD LYS 49 2HD LYS 49 -8.909 2.364 -9.832 359 1HE LYS 49 2HE LYS 49 -7.738 3.937 -11.320 360 2HE LYS 49 1HE LYS 49 -9.090 3.158 -12.155 361 1HZ LYS 49 1HZ LYS 49 -9.137 5.849 -10.975 362 2HZ LYS 49 2HZ LYS 49 -10.381 5.130 -11.782 363 3HZ LYS 49 3HZ LYS 49 -8.990 5.505 -12.580 364 H ASP 50 HN ASP 50 -13.317 3.424 -6.767 365 HA ASP 50 HA ASP 50 -13.680 6.113 -7.460 366 1HB ASP 50 2HB ASP 50 -15.517 4.636 -6.930 367 2HB ASP 50 1HB ASP 50 -14.925 4.343 -5.301 368 H LYS 51 HN LYS 51 -13.338 4.971 -4.130 369 HA LYS 51 HA LYS 51 -12.698 7.659 -3.205 370 1HB LYS 51 1HB LYS 51 -12.918 6.675 -1.009 371 2HB LYS 51 2HB LYS 51 -14.304 6.290 -2.016 372 1HG LYS 51 2HG LYS 51 -12.866 3.998 -2.417 373 2HG LYS 51 1HG LYS 51 -12.151 4.527 -0.896 374 1HD LYS 51 2HD LYS 51 -13.898 3.062 -0.288 375 2HD LYS 51 1HD LYS 51 -14.517 4.680 0.060 376 1HE LYS 51 1HE LYS 51 -15.824 4.651 -2.050 377 2HE LYS 51 2HE LYS 51 -15.133 3.072 -2.469 378 1HZ LYS 51 1HZ LYS 51 -16.194 2.157 -0.545 379 2HZ LYS 51 2HZ LYS 51 -17.311 2.921 -1.479 380 3HZ LYS 51 3HZ LYS 51 -16.771 3.611 -0.083 381 H LEU 52 H LEU 52 -10.650 4.921 -4.015 382 HA LEU 52 HA LEU 52 -8.535 6.051 -2.203 383 1HB LEU 52 1HB LEU 52 -10.084 3.920 -1.576 384 2HB LEU 52 2HB LEU 52 -8.898 3.094 -2.591 385 HG LEU 52 HG LEU 52 -7.175 4.382 -0.979 386 1HD1 LEU 52 1HD1 LEU 52 -9.012 5.723 0.090 387 2HD1 LEU 52 2HD1 LEU 52 -9.785 4.217 0.627 388 3HD1 LEU 52 3HD1 LEU 52 -8.212 4.673 1.286 389 1HD2 LEU 52 1HD2 LEU 52 -7.412 1.931 -1.101 390 2HD2 LEU 52 2HD2 LEU 52 -8.881 2.000 -0.103 391 3HD2 LEU 52 3HD2 LEU 52 -7.311 2.460 0.592 392 H LYS 53 HN LYS 53 -6.507 6.132 -3.007 393 HA LYS 53 HA LYS 53 -5.980 5.075 -5.714 394 1HB LYS 53 2HB LYS 53 -4.951 7.213 -4.127 395 2HB LYS 53 1HB LYS 53 -3.674 6.021 -4.186 396 1HG LYS 53 1HG LYS 53 -5.038 7.175 -6.646 397 2HG LYS 53 2HG LYS 53 -3.484 7.685 -5.967 398 1HD LYS 53 2HD LYS 53 -2.668 5.283 -6.236 399 2HD LYS 53 1HD LYS 53 -4.141 4.964 -7.183 400 1HE LYS 53 1HE LYS 53 -3.500 6.704 -8.801 401 2HE LYS 53 2HE LYS 53 -2.051 7.077 -7.848 402 1HZ LYS 53 1HZ LYS 53 -2.636 4.495 -9.119 403 2HZ LYS 53 2HZ LYS 53 -1.560 5.621 -9.658 404 3HZ LYS 53 3HZ LYS 53 -1.295 4.846 -8.227 405 H CYS 54 H CYS 54 -4.336 3.316 -5.953 406 HA CYS 54 HA CYS 54 -3.644 1.842 -3.477 407 1HB CYS 54 1HB CYS 54 -5.727 0.817 -4.350 408 2HB CYS 54 2HB CYS 54 -4.923 0.632 -5.930 409 HG CYS 54 HG CYS 54 -4.928 -1.703 -4.775 410 H VAL 55 H VAL 55 -1.599 0.979 -3.586 411 HA VAL 55 HA VAL 55 -0.171 0.967 -6.142 412 HB VAL 55 HB VAL 55 1.393 2.491 -4.163 413 1HG1 VAL 55 1HG1 VAL 55 -0.752 3.421 -3.418 414 2HG1 VAL 55 2HG1 VAL 55 0.313 4.605 -4.185 415 3HG1 VAL 55 3HG1 VAL 55 -1.074 3.979 -5.084 416 1HG2 VAL 55 1HG2 VAL 55 1.989 2.349 -6.511 417 2HG2 VAL 55 2HG2 VAL 55 1.652 4.029 -6.072 418 3HG2 VAL 55 3HG2 VAL 55 0.444 3.105 -6.981 419 H LYS 56 HN LYS 56 2.039 0.261 -5.964 420 HA LYS 56 HA LYS 56 2.601 -1.456 -3.591 421 1HB LYS 56 1HB LYS 56 3.314 -1.965 -6.489 422 2HB LYS 56 2HB LYS 56 3.446 -3.077 -5.102 423 1HG LYS 56 2HG LYS 56 0.898 -2.889 -4.880 424 2HG LYS 56 1HG LYS 56 0.933 -2.057 -6.450 425 1HD LYS 56 2HD LYS 56 2.316 -4.134 -7.259 426 2HD LYS 56 1HD LYS 56 1.674 -4.921 -5.800 427 1HE LYS 56 1HE LYS 56 -0.656 -4.225 -6.579 428 2HE LYS 56 2HE LYS 56 0.100 -3.613 -8.072 429 1HZ LYS 56 1HZ LYS 56 -0.704 -5.761 -8.468 430 2HZ LYS 56 2HZ LYS 56 0.938 -5.894 -8.391 431 3HZ LYS 56 3HZ LYS 56 -0.008 -6.374 -7.120 432 H LEU 57 H LEU 57 4.391 -0.757 -2.518 433 HA LEU 57 HA LEU 57 6.399 0.933 -3.946 434 1HB LEU 57 1HB LEU 57 5.428 1.974 -2.015 435 2HB LEU 57 2HB LEU 57 5.785 0.560 -0.997 436 HG LEU 57 HG LEU 57 8.176 1.036 -1.155 437 1HD1 LEU 57 1HD2 LEU 57 8.446 1.952 -3.361 438 2HD1 LEU 57 2HD2 LEU 57 7.258 3.247 -3.062 439 3HD1 LEU 57 3HD2 LEU 57 8.818 3.281 -2.241 440 1HD2 LEU 57 1HD1 LEU 57 6.547 2.286 0.409 441 2HD2 LEU 57 2HD1 LEU 57 6.762 3.668 -0.655 442 3HD2 LEU 57 3HD1 LEU 57 8.168 2.998 0.196 443 H ASN 58 H ASN 58 8.150 -0.062 -4.686 444 HA ASN 58 HA ASN 58 8.846 -2.757 -3.783 445 1HB ASN 58 1HB ASN 58 9.224 -2.039 -6.104 446 2HB ASN 58 2HB ASN 58 10.429 -0.873 -5.550 447 1HD2 ASN 58 2HD2 ASN 58 10.190 -3.892 -6.885 448 2HD2 ASN 58 1HD2 ASN 58 11.656 -4.599 -6.225 449 H THR 59 H THR 59 9.690 -3.110 -1.930 450 HA THR 59 HA THR 59 10.653 -1.120 -0.128 451 HB THR 59 HB THR 59 10.812 -4.173 -0.104 452 HG1 THR 59 HG1 THR 59 8.723 -3.500 -0.259 453 1HG2 THR 59 1HG2 THR 59 11.076 -2.137 2.133 454 2HG2 THR 59 2HG2 THR 59 10.892 -3.899 2.354 455 3HG2 THR 59 3HG2 THR 59 12.333 -3.257 1.553 456 H ASP 60 HN ASP 60 12.254 -3.513 -2.196 457 HA ASP 60 HA ASP 60 14.905 -3.241 -1.040 458 1HB ASP 60 2HB ASP 60 14.259 -5.270 -2.101 459 2HB ASP 60 1HB ASP 60 13.682 -4.436 -3.529 460 H GLU 61 HN GLU 61 13.080 -1.758 -3.660 461 HA GLU 61 HA GLU 61 15.274 -0.098 -4.624 462 1HB GLU 61 2HB GLU 61 13.195 -1.050 -5.891 463 2HB GLU 61 1HB GLU 61 12.315 0.305 -5.138 464 1HG GLU 61 2HG GLU 61 13.940 1.881 -6.227 465 2HG GLU 61 1HG GLU 61 14.786 0.482 -6.881 466 H SER 62 H SER 62 12.730 0.141 -2.241 467 HA SER 62 HA SER 62 13.378 2.993 -1.663 468 1HB SER 62 1HB SER 62 10.685 1.714 -1.121 469 2HB SER 62 2HB SER 62 11.178 3.414 -1.273 470 HG SER 62 HG SER 62 10.939 1.375 -3.233 471 HA PRO 63 HA PRO 63 13.987 0.242 2.156 472 1HB PRO 63 1HB PRO 63 16.671 0.654 2.557 473 2HB PRO 63 2HB PRO 63 16.026 -0.633 1.498 474 1HG PRO 63 1HG PRO 63 17.032 2.099 0.663 475 2HG PRO 63 2HG PRO 63 17.433 0.510 -0.053 476 1HD PRO 63 1HD PRO 63 15.510 2.096 -1.157 477 2HD PRO 63 2HD PRO 63 15.275 0.338 -1.067 478 H ASN 64 H ASN 64 15.043 3.337 1.008 479 HA ASN 64 HA ASN 64 15.562 4.924 3.238 480 1HB ASN 64 1HB ASN 64 14.154 6.694 1.796 481 2HB ASN 64 2HB ASN 64 15.775 6.167 1.372 482 1HD2 ASN 64 2HD2 ASN 64 16.039 5.695 -0.761 483 2HD2 ASN 64 1HD2 ASN 64 14.811 4.950 -1.761 484 H VAL 65 H VAL 65 12.400 5.022 1.711 485 HA VAL 65 HA VAL 65 10.958 6.169 3.794 486 HB VAL 65 HB VAL 65 10.072 4.223 1.614 487 1HG1 VAL 65 1HG2 VAL 65 8.352 4.356 3.414 488 2HG1 VAL 65 2HG2 VAL 65 7.825 5.114 1.910 489 3HG1 VAL 65 3HG2 VAL 65 8.367 6.126 3.272 490 1HG2 VAL 65 1HG1 VAL 65 11.120 6.298 0.751 491 2HG2 VAL 65 2HG1 VAL 65 10.070 7.274 1.785 492 3HG2 VAL 65 3HG1 VAL 65 9.381 6.317 0.453 493 H ALA 66 H ALA 66 11.282 2.728 3.039 494 HA ALA 66 HA ALA 66 9.693 1.717 5.164 495 1HB ALA 66 1HB ALA 66 10.430 0.354 3.271 496 2HB ALA 66 2HB ALA 66 10.869 -0.400 4.818 497 3HB ALA 66 3HB ALA 66 12.114 0.428 3.857 498 H SER 67 H SER 67 13.176 2.612 5.176 499 HA SER 67 HA SER 67 13.657 1.605 7.848 500 1HB SER 67 2HB SER 67 15.195 3.662 6.197 501 2HB SER 67 1HB SER 67 15.745 2.902 7.702 502 HG SER 67 HG SER 67 15.117 1.588 5.267 503 H GLU 68 HN GLU 68 12.905 4.787 6.439 504 HA GLU 68 HA GLU 68 12.975 6.342 8.827 505 1HB GLU 68 1HB GLU 68 11.237 6.584 6.331 506 2HB GLU 68 2HB GLU 68 11.320 7.806 7.595 507 1HG GLU 68 2HG GLU 68 13.615 8.293 7.147 508 2HG GLU 68 1HG GLU 68 13.833 6.845 6.163 509 H TYR 69 H TYR 69 10.359 4.431 7.345 510 HA TYR 69 HA TYR 69 8.494 4.941 9.523 511 1HB TYR 69 1HB TYR 69 8.527 3.487 6.904 512 2HB TYR 69 2HB TYR 69 7.494 2.783 8.095 513 HD1 TYR 69 HD1 TYR 69 7.900 5.498 5.727 514 HD2 TYR 69 HD2 TYR 69 5.873 4.431 9.372 515 HE1 TYR 69 HE1 TYR 69 6.486 7.537 5.546 516 HE2 TYR 69 HE2 TYR 69 4.487 6.484 9.204 517 HH TYR 69 HH TYR 69 4.147 8.446 8.074 518 H GLY 70 H GLY 70 10.925 2.484 8.905 519 1HA GLY 70 2HA GLY 70 11.876 1.050 10.438 520 2HA GLY 70 1HA GLY 70 10.696 1.544 11.662 521 H ILE 71 H ILE 71 10.318 0.168 8.363 522 HA ILE 71 HA ILE 71 8.212 -1.618 9.249 523 HB ILE 71 HB ILE 71 9.782 -1.433 6.648 524 1HG1 ILE 71 2HG1 ILE 71 7.021 -0.473 7.577 525 2HG1 ILE 71 1HG1 ILE 71 8.419 0.539 7.200 526 1HG2 ILE 71 1HG2 ILE 71 7.977 -2.874 5.694 527 2HG2 ILE 71 2HG2 ILE 71 8.915 -3.726 6.903 528 3HG2 ILE 71 3HG2 ILE 71 7.314 -3.088 7.331 529 1HD1 ILE 71 1HD1 ILE 71 6.749 -1.061 5.241 530 2HD1 ILE 71 2HD1 ILE 71 8.326 -0.339 4.839 531 3HD1 ILE 71 3HD1 ILE 71 6.971 0.688 5.361 532 H ARG 72 HN ARG 72 8.349 -3.582 10.094 533 HA ARG 72 HA ARG 72 10.924 -4.713 10.772 534 1HB ARG 72 2HB ARG 72 8.980 -4.739 12.293 535 2HB ARG 72 1HB ARG 72 8.074 -5.723 11.129 536 1HG ARG 72 2HG ARG 72 9.782 -7.543 11.385 537 2HG ARG 72 1HG ARG 72 10.650 -6.546 12.548 538 1HD ARG 72 2HD ARG 72 9.185 -8.290 13.608 539 2HD ARG 72 1HD ARG 72 8.829 -6.640 14.117 540 HE ARG 72 HE ARG 72 6.725 -6.857 13.342 541 1HH1 ARG 72 2HH1 ARG 72 8.661 -9.160 11.444 542 2HH1 ARG 72 1HH1 ARG 72 7.278 -10.010 10.840 543 1HH2 ARG 72 2HH2 ARG 72 4.932 -7.933 12.494 544 2HH2 ARG 72 1HH2 ARG 72 5.127 -9.275 11.403 545 H SER 73 H SER 73 8.251 -5.679 8.528 546 HA SER 73 HA SER 73 10.049 -7.317 6.955 547 1HB SER 73 2HB SER 73 7.712 -8.642 8.421 548 2HB SER 73 1HB SER 73 8.816 -9.420 7.273 549 HG SER 73 HG SER 73 10.400 -8.409 9.044 550 H ILE 74 H ILE 74 8.552 -8.368 5.119 551 HA ILE 74 HA ILE 74 6.311 -6.519 4.572 552 HB ILE 74 HB ILE 74 7.029 -6.651 2.139 553 1HG1 ILE 74 1HG1 ILE 74 9.772 -7.325 3.196 554 2HG1 ILE 74 2HG1 ILE 74 8.684 -8.529 2.476 555 1HG2 ILE 74 1HG2 ILE 74 8.877 -5.199 4.088 556 2HG2 ILE 74 2HG2 ILE 74 8.489 -4.717 2.428 557 3HG2 ILE 74 3HG2 ILE 74 7.239 -4.663 3.659 558 1HD1 ILE 74 1HD1 ILE 74 8.481 -7.080 0.429 559 2HD1 ILE 74 2HD1 ILE 74 9.726 -6.010 1.109 560 3HD1 ILE 74 3HD1 ILE 74 10.109 -7.682 0.711 561 HA PRO 75 HA PRO 75 4.910 -6.608 2.393 562 1HB PRO 75 2HB PRO 75 2.209 -6.920 2.379 563 2HB PRO 75 1HB PRO 75 3.290 -7.644 1.172 564 1HG PRO 75 1HG PRO 75 2.158 -8.869 3.678 565 2HG PRO 75 2HG PRO 75 2.191 -9.603 2.041 566 1HD PRO 75 1HD PRO 75 4.048 -10.236 3.984 567 2HD PRO 75 2HD PRO 75 4.493 -10.135 2.261 568 H THR 76 H THR 76 4.052 -4.778 3.113 569 HA THR 76 HA THR 76 2.819 -4.588 5.784 570 HB THR 76 HB THR 76 5.430 -3.260 5.012 571 HG1 THR 76 HG1 THR 76 5.740 -4.971 6.361 572 1HG2 THR 76 1HG2 THR 76 3.328 -2.291 6.994 573 2HG2 THR 76 2HG2 THR 76 4.132 -1.383 5.683 574 3HG2 THR 76 3HG2 THR 76 5.046 -1.867 7.112 575 H ILE 77 H ILE 77 0.927 -4.003 5.069 576 HA ILE 77 HA ILE 77 0.602 -2.249 2.703 577 HB ILE 77 HB ILE 77 -1.373 -3.839 4.383 578 1HG1 ILE 77 2HG1 ILE 77 -0.692 -4.441 1.497 579 2HG1 ILE 77 1HG1 ILE 77 0.348 -5.070 2.776 580 1HG2 ILE 77 1HG2 ILE 77 -2.469 -1.878 3.404 581 2HG2 ILE 77 2HG2 ILE 77 -2.956 -3.299 2.478 582 3HG2 ILE 77 3HG2 ILE 77 -1.710 -2.209 1.835 583 1HD1 ILE 77 1HD1 ILE 77 -2.642 -5.555 2.629 584 2HD1 ILE 77 2HD1 ILE 77 -1.366 -6.713 2.211 585 3HD1 ILE 77 3HD1 ILE 77 -1.542 -6.161 3.883 586 H MET 78 H MET 78 0.554 -0.077 3.159 587 HA MET 78 HA MET 78 -0.712 0.737 5.741 588 1HB MET 78 2HB MET 78 1.682 2.149 4.552 589 2HB MET 78 1HB MET 78 0.939 2.409 6.128 590 1HG MET 78 2HG MET 78 1.584 -0.145 6.512 591 2HG MET 78 1HG MET 78 2.678 0.172 5.170 592 1HE MET 78 1HE MET 78 4.823 1.794 5.442 593 2HE MET 78 2HE MET 78 3.654 3.105 5.763 594 3HE MET 78 3HE MET 78 5.048 2.858 6.842 595 H VAL 79 H VAL 79 -1.624 2.792 5.687 596 HA VAL 79 HA VAL 79 -2.505 3.567 2.914 597 HB VAL 79 HB VAL 79 -4.146 3.725 5.452 598 1HG1 VAL 79 1HG1 VAL 79 -5.696 2.269 4.196 599 2HG1 VAL 79 2HG1 VAL 79 -4.121 1.476 4.343 600 3HG1 VAL 79 3HG1 VAL 79 -4.595 2.244 2.815 601 1HG2 VAL 79 1HG2 VAL 79 -5.882 4.703 3.895 602 2HG2 VAL 79 2HG2 VAL 79 -4.610 4.871 2.665 603 3HG2 VAL 79 3HG2 VAL 79 -4.515 5.771 4.186 604 H PHE 80 H PHE 80 -2.253 5.674 2.404 605 HA PHE 80 HA PHE 80 -1.366 7.574 4.534 606 1HB PHE 80 2HB PHE 80 -0.417 7.284 1.666 607 2HB PHE 80 1HB PHE 80 -0.123 8.685 2.650 608 HD1 PHE 80 HD1 PHE 80 0.490 4.981 2.621 609 HD2 PHE 80 HD2 PHE 80 1.812 8.854 3.969 610 HE1 PHE 80 HE1 PHE 80 2.549 3.964 3.551 611 HE2 PHE 80 HE2 PHE 80 3.842 7.834 4.930 612 HZ PHE 80 HZ PHE 80 4.197 5.372 4.786 613 H LYS 81 HN LYS 81 -1.647 9.804 3.877 614 HA LYS 81 HA LYS 81 -3.432 10.700 1.854 615 1HB LYS 81 2HB LYS 81 -5.181 11.549 3.618 616 2HB LYS 81 1HB LYS 81 -5.335 9.953 2.924 617 1HG LYS 81 1HG LYS 81 -5.856 9.929 5.288 618 2HG LYS 81 2HG LYS 81 -4.530 8.859 4.885 619 1HD LYS 81 2HD LYS 81 -4.117 9.991 7.012 620 2HD LYS 81 1HD LYS 81 -2.897 10.426 5.843 621 1HE LYS 81 1HE LYS 81 -3.539 12.366 7.111 622 2HE LYS 81 2HE LYS 81 -4.124 12.612 5.466 623 1HZ LYS 81 1HZ LYS 81 -6.289 11.907 6.182 624 2HZ LYS 81 2HZ LYS 81 -5.748 11.668 7.721 625 3HZ LYS 81 3HZ LYS 81 -5.771 13.186 7.080 626 H GLY 82 H GLY 82 -3.551 13.095 2.028 627 1HA GLY 82 2HA GLY 82 -2.518 15.127 2.463 628 2HA GLY 82 1HA GLY 82 -3.074 14.695 4.095 629 H GLY 83 H GLY 83 -0.274 13.478 2.142 630 1HA GLY 83 2HA GLY 83 1.957 13.501 2.570 631 2HA GLY 83 1HA GLY 83 1.690 14.910 3.586 632 H LYS 84 HN LYS 84 -0.023 12.041 4.668 633 HA LYS 84 HA LYS 84 2.206 11.127 6.377 634 1HB LYS 84 2HB LYS 84 -0.413 12.291 7.430 635 2HB LYS 84 1HB LYS 84 0.729 11.350 8.402 636 1HG LYS 84 1HG LYS 84 2.519 13.069 7.718 637 2HG LYS 84 2HG LYS 84 1.176 14.094 7.191 638 1HD LYS 84 1HD LYS 84 1.556 12.908 9.987 639 2HD LYS 84 2HD LYS 84 1.954 14.564 9.507 640 1HE LYS 84 1HE LYS 84 -0.457 14.941 8.888 641 2HE LYS 84 2HE LYS 84 -0.841 13.315 9.488 642 1HZ LYS 84 1HZ LYS 84 -0.063 13.983 11.636 643 2HZ LYS 84 2HZ LYS 84 -1.273 14.974 11.118 644 3HZ LYS 84 3HZ LYS 84 0.289 15.497 11.085 645 H LYS 85 HN LYS 85 1.350 9.362 7.856 646 HA LYS 85 HA LYS 85 0.045 7.335 6.177 647 1HB LYS 85 1HB LYS 85 2.201 6.970 7.419 648 2HB LYS 85 2HB LYS 85 1.284 7.086 8.933 649 1HG LYS 85 1HG LYS 85 -0.051 5.074 8.237 650 2HG LYS 85 2HG LYS 85 0.777 5.088 6.671 651 1HD LYS 85 1HD LYS 85 1.711 3.387 8.041 652 2HD LYS 85 2HD LYS 85 2.933 4.651 7.859 653 1HE LYS 85 1HE LYS 85 2.336 5.493 10.151 654 2HE LYS 85 2HE LYS 85 1.077 4.251 10.269 655 1HZ LYS 85 1HZ LYS 85 3.956 3.758 9.997 656 2HZ LYS 85 2HZ LYS 85 3.068 3.592 11.374 657 3HZ LYS 85 3HZ LYS 85 2.794 2.596 10.089 658 H CYS 86 H CYS 86 -1.632 6.006 7.134 659 HA CYS 86 HA CYS 86 -3.359 7.247 9.243 660 1HB CYS 86 2HB CYS 86 -4.300 7.677 6.989 661 2HB CYS 86 1HB CYS 86 -4.270 5.955 6.622 662 HG CYS 86 HG CYS 86 -6.693 6.485 7.191 663 H GLU 87 HN GLU 87 -3.064 4.326 7.216 664 HA GLU 87 HA GLU 87 -3.540 2.593 9.629 665 1HB GLU 87 1HB GLU 87 -4.044 1.852 6.730 666 2HB GLU 87 2HB GLU 87 -4.536 0.973 8.173 667 1HG GLU 87 2HG GLU 87 -6.133 2.754 8.765 668 2HG GLU 87 1HG GLU 87 -5.596 3.728 7.395 669 H THR 88 H THR 88 -2.473 0.458 9.549 670 HA THR 88 HA THR 88 -0.288 -0.017 7.718 671 HB THR 88 HB THR 88 0.876 1.447 9.223 672 HG1 THR 88 HG1 THR 88 2.415 -0.070 9.987 673 1HG2 THR 88 1HG2 THR 88 -0.029 -0.338 11.534 674 2HG2 THR 88 2HG2 THR 88 1.090 1.030 11.634 675 3HG2 THR 88 3HG2 THR 88 -0.606 1.315 11.227 676 H ILE 89 H ILE 89 -0.225 -2.189 7.372 677 HA ILE 89 HA ILE 89 -1.226 -4.066 9.447 678 HB ILE 89 HB ILE 89 -1.963 -4.284 6.500 679 1HG1 ILE 89 2HG1 ILE 89 -3.755 -3.100 8.658 680 2HG1 ILE 89 1HG1 ILE 89 -3.006 -2.195 7.329 681 1HG2 ILE 89 1HG2 ILE 89 -3.125 -5.539 9.029 682 2HG2 ILE 89 2HG2 ILE 89 -3.573 -5.923 7.356 683 3HG2 ILE 89 3HG2 ILE 89 -1.963 -6.331 7.944 684 1HD1 ILE 89 1HD1 ILE 89 -4.164 -3.671 5.678 685 2HD1 ILE 89 2HD1 ILE 89 -5.205 -2.608 6.636 686 3HD1 ILE 89 3HD1 ILE 89 -5.120 -4.333 7.028 687 H ILE 90 H ILE 90 0.518 -5.410 9.790 688 HA ILE 90 HA ILE 90 2.524 -5.796 7.619 689 HB ILE 90 HB ILE 90 2.715 -6.357 10.604 690 1HG1 ILE 90 2HG1 ILE 90 3.724 -4.012 8.923 691 2HG1 ILE 90 1HG1 ILE 90 2.503 -3.949 10.198 692 1HG2 ILE 90 1HG2 ILE 90 4.813 -6.361 8.377 693 2HG2 ILE 90 2HG2 ILE 90 4.204 -7.789 9.233 694 3HG2 ILE 90 3HG2 ILE 90 5.151 -6.596 10.101 695 1HD1 ILE 90 1HD1 ILE 90 5.470 -4.452 10.559 696 2HD1 ILE 90 2HD1 ILE 90 4.258 -4.713 11.842 697 3HD1 ILE 90 3HD1 ILE 90 4.494 -3.100 11.139 698 H GLY 91 H GLY 91 2.879 -7.779 6.757 699 1HA GLY 91 2HA GLY 91 2.980 -10.145 6.825 700 2HA GLY 91 1HA GLY 91 1.625 -10.214 7.961 701 H ALA 92 H ALA 92 1.967 -11.557 5.304 702 HA ALA 92 HA ALA 92 0.233 -10.247 3.396 703 1HB ALA 92 1HB ALA 92 1.145 -13.142 3.648 704 2HB ALA 92 2HB ALA 92 1.966 -11.841 2.753 705 3HB ALA 92 3HB ALA 92 0.371 -12.408 2.227 706 H VAL 93 H VAL 93 -1.489 -9.725 5.039 707 HA VAL 93 HA VAL 93 -3.183 -11.921 5.869 708 HB VAL 93 HB VAL 93 -4.740 -10.245 6.619 709 1HG1 VAL 93 1HG2 VAL 93 -2.928 -8.136 5.354 710 2HG1 VAL 93 2HG2 VAL 93 -4.339 -7.845 6.395 711 3HG1 VAL 93 3HG2 VAL 93 -4.560 -8.569 4.811 712 1HG2 VAL 93 1HG1 VAL 93 -3.352 -9.150 8.283 713 2HG2 VAL 93 2HG1 VAL 93 -1.891 -9.430 7.322 714 3HG2 VAL 93 3HG1 VAL 93 -2.776 -10.805 8.017 715 HA PRO 94 HA PRO 94 -5.316 -12.420 2.009 716 1HB PRO 94 1HB PRO 94 -7.830 -12.834 3.633 717 2HB PRO 94 2HB PRO 94 -7.179 -13.854 2.317 718 1HG PRO 94 2HG PRO 94 -6.879 -14.615 4.903 719 2HG PRO 94 1HG PRO 94 -5.494 -14.746 3.776 720 1HD PRO 94 2HD PRO 94 -6.043 -12.550 5.793 721 2HD PRO 94 1HD PRO 94 -4.543 -13.460 5.469 722 H LYS 95 HN LYS 95 -6.822 -11.432 0.581 723 HA LYS 95 HA LYS 95 -7.358 -8.784 0.583 724 1HB LYS 95 2HB LYS 95 -7.781 -10.106 -1.369 725 2HB LYS 95 1HB LYS 95 -8.957 -11.134 -0.551 726 1HG LYS 95 2HG LYS 95 -10.623 -9.456 -0.522 727 2HG LYS 95 1HG LYS 95 -9.472 -8.165 -0.901 728 1HD LYS 95 2HD LYS 95 -9.121 -9.059 -3.141 729 2HD LYS 95 1HD LYS 95 -10.223 -10.417 -2.819 730 1HE LYS 95 2HE LYS 95 -10.941 -7.443 -2.783 731 2HE LYS 95 1HE LYS 95 -11.260 -8.550 -4.125 732 1HZ LYS 95 1HZ LYS 95 -12.665 -9.825 -2.683 733 2HZ LYS 95 2HZ LYS 95 -12.418 -8.762 -1.445 734 3HZ LYS 95 3HZ LYS 95 -13.173 -8.263 -2.822 735 H ALA 96 H ALA 96 -9.546 -11.284 1.785 736 HA ALA 96 HA ALA 96 -11.759 -9.809 2.600 737 1HB ALA 96 1HB ALA 96 -10.452 -12.123 4.105 738 2HB ALA 96 2HB ALA 96 -11.603 -12.268 2.757 739 3HB ALA 96 3HB ALA 96 -12.128 -11.566 4.300 740 H THR 97 H THR 97 -8.656 -10.175 4.408 741 HA THR 97 HA THR 97 -9.590 -8.749 6.741 742 HB THR 97 HB THR 97 -6.734 -9.240 5.807 743 HG1 THR 97 HG1 THR 97 -8.537 -10.965 7.158 744 1HG2 THR 97 1HG2 THR 97 -6.952 -7.804 7.809 745 2HG2 THR 97 2HG2 THR 97 -6.299 -9.392 8.250 746 3HG2 THR 97 3HG2 THR 97 -8.000 -9.016 8.581 747 H ILE 98 H ILE 98 -7.617 -7.968 3.847 748 HA ILE 98 HA ILE 98 -6.929 -5.287 4.535 749 HB ILE 98 HB ILE 98 -7.386 -6.517 1.760 750 1HG1 ILE 98 2HG1 ILE 98 -4.838 -6.277 3.408 751 2HG1 ILE 98 1HG1 ILE 98 -5.742 -7.764 3.089 752 1HG2 ILE 98 1HG2 ILE 98 -5.855 -4.025 2.683 753 2HG2 ILE 98 2HG2 ILE 98 -5.882 -4.636 1.022 754 3HG2 ILE 98 3HG2 ILE 98 -7.359 -4.015 1.740 755 1HD1 ILE 98 1HD1 ILE 98 -3.910 -7.756 1.597 756 2HD1 ILE 98 2HD1 ILE 98 -5.377 -7.481 0.644 757 3HD1 ILE 98 3HD1 ILE 98 -4.277 -6.133 1.000 758 H VAL 99 H VAL 99 -9.574 -6.548 2.572 759 HA VAL 99 HA VAL 99 -11.081 -4.321 1.935 760 HB VAL 99 HB VAL 99 -11.680 -7.236 2.515 761 1HG1 VAL 99 1HG1 VAL 99 -13.903 -7.079 1.567 762 2HG1 VAL 99 2HG1 VAL 99 -13.803 -5.320 1.532 763 3HG1 VAL 99 3HG1 VAL 99 -13.823 -6.182 3.081 764 1HG2 VAL 99 1HG2 VAL 99 -11.865 -5.615 -0.057 765 2HG2 VAL 99 2HG2 VAL 99 -11.939 -7.377 0.116 766 3HG2 VAL 99 3HG2 VAL 99 -10.426 -6.509 0.447 767 H GLN 100 H GLN 100 -11.755 -6.484 4.762 768 HA GLN 100 HA GLN 100 -13.669 -4.777 5.943 769 1HB GLN 100 2HB GLN 100 -11.758 -6.842 7.102 770 2HB GLN 100 1HB GLN 100 -12.993 -6.031 8.081 771 1HG GLN 100 1HG GLN 100 -14.786 -6.862 6.740 772 2HG GLN 100 2HG GLN 100 -13.695 -7.512 5.511 773 1HE2 GLN 100 1HE2 GLN 100 -12.131 -9.186 6.228 774 2HE2 GLN 100 2HE2 GLN 100 -12.676 -10.357 7.442 775 H THR 101 H THR 101 -10.137 -4.954 6.557 776 HA THR 101 HA THR 101 -10.110 -3.090 8.673 777 HB THR 101 HB THR 101 -7.885 -3.632 6.655 778 HG1 THR 101 HG1 THR 101 -8.549 -5.511 7.665 779 1HG2 THR 101 1HG2 THR 101 -7.907 -2.456 9.478 780 2HG2 THR 101 2HG2 THR 101 -7.365 -1.646 7.990 781 3HG2 THR 101 3HG2 THR 101 -6.447 -3.011 8.651 782 H VAL 102 H VAL 102 -9.566 -2.461 5.124 783 HA VAL 102 HA VAL 102 -9.272 0.381 5.627 784 HB VAL 102 HB VAL 102 -8.453 -1.197 3.692 785 1HG1 VAL 102 1HG2 VAL 102 -8.045 0.825 2.311 786 2HG1 VAL 102 2HG2 VAL 102 -7.777 1.141 4.029 787 3HG1 VAL 102 3HG2 VAL 102 -9.270 1.708 3.249 788 1HG2 VAL 102 1HG1 VAL 102 -10.899 -0.067 2.314 789 2HG2 VAL 102 2HG1 VAL 102 -10.584 -1.789 2.677 790 3HG2 VAL 102 3HG1 VAL 102 -9.526 -0.905 1.573 791 H GLU 103 HN GLU 103 -11.959 -1.654 4.535 792 HA GLU 103 HA GLU 103 -13.837 0.336 3.976 793 1HB GLU 103 2HB GLU 103 -14.110 -2.474 5.070 794 2HB GLU 103 1HB GLU 103 -15.517 -1.439 4.846 795 1HG GLU 103 2HG GLU 103 -15.021 -1.065 2.496 796 2HG GLU 103 1HG GLU 103 -13.517 -1.982 2.622 797 H LYS 104 HN LYS 104 -12.931 -0.909 7.173 798 HA LYS 104 HA LYS 104 -14.802 0.320 8.830 799 1HB LYS 104 1HB LYS 104 -12.852 -0.986 9.638 800 2HB LYS 104 2HB LYS 104 -11.776 0.333 9.119 801 1HG LYS 104 1HG LYS 104 -12.994 1.872 10.745 802 2HG LYS 104 2HG LYS 104 -13.759 0.421 11.394 803 1HD LYS 104 1HD LYS 104 -10.802 1.174 11.273 804 2HD LYS 104 2HD LYS 104 -11.825 1.097 12.699 805 1HE LYS 104 1HE LYS 104 -10.625 -0.885 12.893 806 2HE LYS 104 2HE LYS 104 -12.097 -1.458 12.093 807 1HZ LYS 104 1HZ LYS 104 -10.857 -1.312 10.001 808 2HZ LYS 104 2HZ LYS 104 -9.525 -0.800 10.812 809 3HZ LYS 104 3HZ LYS 104 -10.116 -2.315 11.077 810 H TYR 105 H TYR 105 -12.018 1.819 7.180 811 HA TYR 105 HA TYR 105 -12.539 4.458 8.391 812 1HB TYR 105 1HB TYR 105 -10.345 3.501 6.517 813 2HB TYR 105 2HB TYR 105 -10.401 5.002 7.422 814 HD1 TYR 105 HD1 TYR 105 -10.142 5.069 9.904 815 HD2 TYR 105 HD2 TYR 105 -9.571 1.506 7.579 816 HE1 TYR 105 HE1 TYR 105 -8.734 4.108 11.713 817 HE2 TYR 105 HE2 TYR 105 -8.190 0.525 9.383 818 HH TYR 105 HH TYR 105 -7.178 0.908 11.434 819 H LEU 106 H LEU 106 -12.539 2.852 5.182 820 HA LEU 106 HA LEU 106 -14.136 5.122 4.063 821 1HB LEU 106 2HB LEU 106 -11.695 3.776 2.830 822 2HB LEU 106 1HB LEU 106 -12.962 4.551 1.886 823 HG LEU 106 HG LEU 106 -12.506 6.567 3.663 824 1HD1 LEU 106 1HD1 LEU 106 -11.219 7.588 1.797 825 2HD1 LEU 106 2HD1 LEU 106 -12.691 6.765 1.267 826 3HD1 LEU 106 3HD1 LEU 106 -11.122 5.993 1.018 827 1HD2 LEU 106 1HD2 LEU 106 -10.634 5.335 4.741 828 2HD2 LEU 106 2HD2 LEU 106 -10.104 6.835 3.966 829 3HD2 LEU 106 3HD2 LEU 106 -9.793 5.267 3.180 830 H ASN 107 H ASN 107 -15.865 3.889 4.609 831 HA ASN 107 HA ASN 107 -16.369 1.231 3.554 832 1HB ASN 107 1HB ASN 107 -18.738 1.701 4.163 833 2HB ASN 107 2HB ASN 107 -17.590 1.882 5.488 834 1HD2 ASN 107 1HD2 ASN 107 -17.923 4.512 3.068 835 2HD2 ASN 107 2HD2 ASN 107 -18.752 5.599 4.189 Start of MODEL 11 1 1H MET 1 1H MET 1 -8.357 2.288 -6.670 2 2H MET 1 2H MET 1 -9.614 1.593 -7.449 3 3H MET 1 3H MET 1 -9.823 3.018 -6.739 4 HA MET 1 HA MET 1 -9.637 3.254 -9.111 5 1HB MET 1 1HB MET 1 -8.559 4.985 -7.622 6 2HB MET 1 2HB MET 1 -7.005 4.186 -7.849 7 1HG MET 1 2HG MET 1 -7.258 6.087 -9.359 8 2HG MET 1 1HG MET 1 -7.194 4.609 -10.314 9 1HE MET 1 1HE MET 1 -8.389 4.984 -12.496 10 2HE MET 1 2HE MET 1 -9.192 3.622 -11.675 11 3HE MET 1 3HE MET 1 -10.161 4.861 -12.503 12 H GLU 2 HN GLU 2 -6.160 2.422 -8.414 13 HA GLU 2 HA GLU 2 -6.262 -0.008 -9.939 14 1HB GLU 2 1HB GLU 2 -4.939 0.772 -11.852 15 2HB GLU 2 2HB GLU 2 -6.450 1.672 -11.776 16 1HG GLU 2 2HG GLU 2 -5.095 3.505 -10.502 17 2HG GLU 2 1HG GLU 2 -3.654 2.620 -11.017 18 H ALA 3 H ALA 3 -3.759 -0.571 -10.397 19 HA ALA 3 HA ALA 3 -2.324 -0.064 -7.869 20 1HB ALA 3 1HB ALA 3 -1.943 -2.142 -10.041 21 2HB ALA 3 2HB ALA 3 -0.987 -2.008 -8.552 22 3HB ALA 3 3HB ALA 3 -2.714 -2.375 -8.454 23 H GLY 4 H GLY 4 -0.321 0.869 -7.778 24 1HA GLY 4 2HA GLY 4 1.218 1.382 -10.300 25 2HA GLY 4 1HA GLY 4 1.060 2.575 -8.994 26 H ALA 5 H ALA 5 3.602 2.022 -9.473 27 HA ALA 5 HA ALA 5 4.477 0.226 -7.282 28 1HB ALA 5 1HB ALA 5 6.411 -0.447 -8.657 29 2HB ALA 5 2HB ALA 5 4.889 -0.987 -9.396 30 3HB ALA 5 3HB ALA 5 5.741 0.431 -10.051 31 H VAL 6 H VAL 6 6.198 1.209 -6.082 32 HA VAL 6 HA VAL 6 7.154 3.856 -7.048 33 HB VAL 6 HB VAL 6 6.585 4.846 -4.778 34 1HG1 VAL 6 1HG1 VAL 6 4.750 2.429 -4.507 35 2HG1 VAL 6 2HG1 VAL 6 4.771 3.868 -3.472 36 3HG1 VAL 6 3HG1 VAL 6 6.182 2.812 -3.527 37 1HG2 VAL 6 1HG2 VAL 6 4.270 5.344 -5.268 38 2HG2 VAL 6 2HG2 VAL 6 5.297 5.491 -6.705 39 3HG2 VAL 6 3HG2 VAL 6 4.239 4.085 -6.519 40 H ASN 7 H ASN 7 8.559 4.847 -5.544 41 HA ASN 7 HA ASN 7 10.248 3.284 -3.763 42 1HB ASN 7 2HB ASN 7 11.592 2.977 -5.756 43 2HB ASN 7 1HB ASN 7 11.083 4.562 -6.372 44 1HD2 ASN 7 1HD2 ASN 7 13.567 2.980 -4.417 45 2HD2 ASN 7 2HD2 ASN 7 14.488 4.442 -4.201 46 H ASP 8 HN ASP 8 11.708 4.900 -2.767 47 HA ASP 8 HA ASP 8 10.585 6.812 -1.263 48 1HB ASP 8 2HB ASP 8 12.993 5.966 -1.257 49 2HB ASP 8 1HB ASP 8 13.364 7.128 -2.512 50 H ASP 9 HN ASP 9 12.120 7.562 -4.359 51 HA ASP 9 HA ASP 9 11.578 10.380 -4.368 52 1HB ASP 9 2HB ASP 9 13.140 9.428 -5.944 53 2HB ASP 9 1HB ASP 9 11.920 8.380 -6.655 54 H THR 10 H THR 10 9.920 7.992 -6.398 55 HA THR 10 HA THR 10 7.734 9.526 -7.159 56 HB THR 10 HB THR 10 6.660 7.250 -7.589 57 HG1 THR 10 HG1 THR 10 8.633 6.574 -5.850 58 1HG2 THR 10 1HG2 THR 10 9.550 7.612 -8.523 59 2HG2 THR 10 2HG2 THR 10 8.316 6.588 -9.280 60 3HG2 THR 10 3HG2 THR 10 8.116 8.350 -9.263 61 H PHE 11 H PHE 11 8.059 7.557 -4.241 62 HA PHE 11 HA PHE 11 5.544 7.207 -3.262 63 1HB PHE 11 2HB PHE 11 7.744 6.536 -2.255 64 2HB PHE 11 1HB PHE 11 7.982 8.173 -1.711 65 HD1 PHE 11 HD1 PHE 11 7.063 8.960 0.330 66 HD2 PHE 11 HD2 PHE 11 5.768 5.188 -1.313 67 HE1 PHE 11 HE1 PHE 11 6.070 8.352 2.508 68 HE2 PHE 11 HE2 PHE 11 4.642 4.656 0.835 69 HZ PHE 11 HZ PHE 11 4.795 6.234 2.747 70 H LYS 12 HN LYS 12 7.533 10.072 -2.990 71 HA LYS 12 HA LYS 12 5.855 11.648 -1.308 72 1HB LYS 12 2HB LYS 12 7.648 12.678 -3.548 73 2HB LYS 12 1HB LYS 12 7.126 13.568 -2.120 74 1HG LYS 12 1HG LYS 12 8.968 11.127 -2.195 75 2HG LYS 12 2HG LYS 12 9.480 12.785 -1.971 76 1HD LYS 12 1HD LYS 12 8.676 12.888 0.240 77 2HD LYS 12 2HD LYS 12 7.533 11.560 0.000 78 1HE LYS 12 2HE LYS 12 9.418 10.867 1.411 79 2HE LYS 12 1HE LYS 12 9.210 9.890 -0.046 80 1HZ LYS 12 1HZ LYS 12 10.951 11.142 -1.086 81 2HZ LYS 12 2HZ LYS 12 11.467 10.362 0.261 82 3HZ LYS 12 3HZ LYS 12 11.216 11.999 0.304 83 H ASN 13 H ASN 13 6.015 11.640 -4.878 84 HA ASN 13 HA ASN 13 3.786 13.439 -5.222 85 1HB ASN 13 1HB ASN 13 5.005 11.432 -7.163 86 2HB ASN 13 2HB ASN 13 3.965 12.795 -7.559 87 1HD2 ASN 13 2HD2 ASN 13 5.550 14.552 -5.437 88 2HD2 ASN 13 1HD2 ASN 13 6.980 14.934 -6.375 89 H VAL 14 H VAL 14 4.160 9.936 -5.673 90 HA VAL 14 HA VAL 14 1.464 9.483 -6.515 91 HB VAL 14 HB VAL 14 3.712 7.645 -5.587 92 1HG1 VAL 14 1HG1 VAL 14 2.726 8.423 -8.371 93 2HG1 VAL 14 2HG1 VAL 14 4.245 8.965 -7.635 94 3HG1 VAL 14 3HG1 VAL 14 4.017 7.259 -8.024 95 1HG2 VAL 14 1HG2 VAL 14 2.475 5.880 -6.911 96 2HG2 VAL 14 2HG2 VAL 14 1.682 6.344 -5.399 97 3HG2 VAL 14 3HG2 VAL 14 1.082 6.973 -6.954 98 H VAL 15 H VAL 15 2.980 9.402 -3.291 99 HA VAL 15 HA VAL 15 0.434 8.309 -2.163 100 HB VAL 15 HB VAL 15 3.181 8.193 -0.864 101 1HG1 VAL 15 1HG1 VAL 15 2.164 6.555 0.542 102 2HG1 VAL 15 2HG1 VAL 15 1.179 8.019 0.587 103 3HG1 VAL 15 3HG1 VAL 15 0.637 6.624 -0.368 104 1HG2 VAL 15 1HG2 VAL 15 1.825 6.103 -2.598 105 2HG2 VAL 15 2HG2 VAL 15 3.341 6.938 -2.969 106 3HG2 VAL 15 3HG2 VAL 15 3.265 5.847 -1.590 107 H LEU 16 H LEU 16 3.186 10.283 -0.899 108 HA LEU 16 HA LEU 16 1.660 11.398 1.178 109 1HB LEU 16 1HB LEU 16 4.036 12.690 -0.222 110 2HB LEU 16 2HB LEU 16 3.357 13.141 1.323 111 HG LEU 16 HG LEU 16 4.850 10.585 0.620 112 1HD1 LEU 16 1HD2 LEU 16 6.058 12.751 1.210 113 2HD1 LEU 16 2HD2 LEU 16 6.410 11.385 2.298 114 3HD1 LEU 16 3HD2 LEU 16 5.292 12.670 2.803 115 1HD2 LEU 16 1HD1 LEU 16 4.532 9.967 3.057 116 2HD2 LEU 16 2HD1 LEU 16 3.256 11.193 3.144 117 3HD2 LEU 16 3HD1 LEU 16 3.084 9.787 2.057 118 H GLU 17 HN GLU 17 2.220 12.792 -2.050 119 HA GLU 17 HA GLU 17 0.452 15.078 -1.471 120 1HB GLU 17 2HB GLU 17 2.000 14.199 -3.933 121 2HB GLU 17 1HB GLU 17 1.159 15.735 -3.754 122 1HG GLU 17 2HG GLU 17 2.620 16.417 -1.924 123 2HG GLU 17 1HG GLU 17 3.447 14.857 -1.927 124 H SER 18 H SER 18 -0.535 12.011 -1.945 125 HA SER 18 HA SER 18 -2.095 12.260 -4.362 126 1HB SER 18 2HB SER 18 -1.313 10.111 -3.392 127 2HB SER 18 1HB SER 18 -2.451 10.324 -2.044 128 HG SER 18 HG SER 18 -4.052 9.783 -3.362 129 H SER 19 H SER 19 -4.276 12.658 -4.655 130 HA SER 19 HA SER 19 -5.669 14.307 -2.691 131 1HB SER 19 2HB SER 19 -7.364 14.232 -4.645 132 2HB SER 19 1HB SER 19 -5.782 14.971 -4.981 133 HG SER 19 HG SER 19 -6.330 13.449 -6.608 134 H VAL 20 H VAL 20 -6.441 11.408 -4.596 135 HA VAL 20 HA VAL 20 -8.533 10.547 -2.760 136 HB VAL 20 HB VAL 20 -8.413 8.396 -4.154 137 1HG1 VAL 20 1HG1 VAL 20 -6.077 8.696 -5.012 138 2HG1 VAL 20 2HG1 VAL 20 -7.288 8.399 -6.266 139 3HG1 VAL 20 3HG1 VAL 20 -6.661 10.034 -6.028 140 1HG2 VAL 20 1HG2 VAL 20 -9.042 11.016 -5.538 141 2HG2 VAL 20 2HG2 VAL 20 -10.137 10.012 -4.550 142 3HG2 VAL 20 3HG2 VAL 20 -9.541 9.408 -6.102 143 HA PRO 21 HA PRO 21 -6.050 8.193 -0.002 144 1HB PRO 21 2HB PRO 21 -7.941 5.883 -0.386 145 2HB PRO 21 1HB PRO 21 -7.305 6.515 1.124 146 1HG PRO 21 1HG PRO 21 -9.806 7.151 0.295 147 2HG PRO 21 2HG PRO 21 -8.785 8.433 1.012 148 1HD PRO 21 2HD PRO 21 -9.389 7.961 -1.915 149 2HD PRO 21 1HD PRO 21 -9.225 9.483 -1.000 150 H VAL 22 H VAL 22 -4.786 6.266 0.254 151 HA VAL 22 HA VAL 22 -4.136 4.817 -2.230 152 HB VAL 22 HB VAL 22 -2.086 6.280 -0.513 153 1HG1 VAL 22 1HG2 VAL 22 -0.641 5.905 -2.423 154 2HG1 VAL 22 2HG2 VAL 22 -1.300 4.386 -1.767 155 3HG1 VAL 22 3HG2 VAL 22 -1.953 5.077 -3.273 156 1HG2 VAL 22 1HG1 VAL 22 -3.389 7.273 -3.081 157 2HG2 VAL 22 2HG1 VAL 22 -1.870 7.894 -2.419 158 3HG2 VAL 22 3HG1 VAL 22 -3.361 8.084 -1.497 159 H LEU 23 H LEU 23 -3.240 2.838 -1.855 160 HA LEU 23 HA LEU 23 -2.873 1.852 0.950 161 1HB LEU 23 2HB LEU 23 -4.921 1.026 -0.253 162 2HB LEU 23 1HB LEU 23 -3.916 0.297 -1.473 163 HG LEU 23 HG LEU 23 -3.600 -0.372 1.494 164 1HD1 LEU 23 1HD1 LEU 23 -2.767 -2.569 0.470 165 2HD1 LEU 23 2HD1 LEU 23 -2.793 -1.750 -1.105 166 3HD1 LEU 23 3HD1 LEU 23 -1.711 -1.191 0.181 167 1HD2 LEU 23 1HD2 LEU 23 -5.040 -2.336 1.070 168 2HD2 LEU 23 2HD2 LEU 23 -5.390 -1.726 -0.564 169 3HD2 LEU 23 3HD2 LEU 23 -5.921 -0.816 0.871 170 H VAL 24 H VAL 24 -0.602 1.882 1.076 171 HA VAL 24 HA VAL 24 0.946 1.050 -1.348 172 HB VAL 24 HB VAL 24 1.939 2.280 1.236 173 1HG1 VAL 24 1HG1 VAL 24 4.002 2.662 -0.127 174 2HG1 VAL 24 2HG1 VAL 24 3.666 0.948 0.112 175 3HG1 VAL 24 3HG1 VAL 24 3.287 1.718 -1.444 176 1HG2 VAL 24 1HG2 VAL 24 2.250 4.330 -0.055 177 2HG2 VAL 24 2HG2 VAL 24 0.535 3.904 -0.047 178 3HG2 VAL 24 3HG2 VAL 24 1.524 3.585 -1.489 179 H ASP 25 HN ASP 25 1.742 -1.047 -1.377 180 HA ASP 25 HA ASP 25 1.999 -2.497 1.233 181 1HB ASP 25 1HB ASP 25 0.654 -3.727 -0.394 182 2HB ASP 25 2HB ASP 25 1.947 -3.576 -1.601 183 H PHE 26 H PHE 26 4.040 -2.683 2.018 184 HA PHE 26 HA PHE 26 6.361 -1.797 0.390 185 1HB PHE 26 2HB PHE 26 6.035 -2.819 3.245 186 2HB PHE 26 1HB PHE 26 7.583 -2.494 2.479 187 HD1 PHE 26 HD1 PHE 26 8.585 -0.624 3.394 188 HD2 PHE 26 HD2 PHE 26 4.316 -0.518 2.698 189 HE1 PHE 26 HE1 PHE 26 8.485 1.701 4.212 190 HE2 PHE 26 HE2 PHE 26 4.274 1.845 3.347 191 HZ PHE 26 HZ PHE 26 6.332 2.952 4.183 192 H TRP 27 H TRP 27 6.986 -3.208 -1.109 193 HA TRP 27 HA TRP 27 6.824 -6.140 -0.426 194 1HB TRP 27 2HB TRP 27 6.188 -6.688 -2.633 195 2HB TRP 27 1HB TRP 27 5.115 -5.372 -2.185 196 HD1 TRP 27 HD1 TRP 27 6.014 -2.946 -3.093 197 HE1 TRP 27 HE1 TRP 27 7.138 -2.270 -5.344 198 HE3 TRP 27 HE3 TRP 27 7.363 -7.629 -4.768 199 HZ2 TRP 27 HZ2 TRP 27 8.646 -3.595 -7.391 200 HZ3 TRP 27 HZ3 TRP 27 8.578 -7.845 -6.836 201 HH2 TRP 27 HH2 TRP 27 9.344 -5.900 -8.120 202 H ALA 28 H ALA 28 8.059 -7.344 -2.244 203 HA ALA 28 HA ALA 28 10.353 -6.196 -3.405 204 1HB ALA 28 1HB ALA 28 10.853 -8.179 -1.131 205 2HB ALA 28 2HB ALA 28 12.078 -7.488 -2.208 206 3HB ALA 28 3HB ALA 28 11.255 -6.437 -1.050 207 HA PRO 29 HA PRO 29 8.912 -9.690 -5.700 208 1HB PRO 29 2HB PRO 29 10.914 -10.617 -7.149 209 2HB PRO 29 1HB PRO 29 10.355 -8.970 -7.232 210 1HG PRO 29 1HG PRO 29 12.819 -9.715 -5.713 211 2HG PRO 29 2HG PRO 29 12.639 -8.489 -6.996 212 1HD PRO 29 1HD PRO 29 12.333 -7.818 -4.373 213 2HD PRO 29 2HD PRO 29 11.306 -7.076 -5.628 214 H TRP 30 H TRP 30 11.904 -10.412 -4.123 215 HA TRP 30 HA TRP 30 11.505 -13.198 -3.645 216 1HB TRP 30 1HB TRP 30 13.088 -12.972 -1.782 217 2HB TRP 30 2HB TRP 30 13.652 -12.227 -3.269 218 HD1 TRP 30 HD1 TRP 30 14.558 -9.873 -3.091 219 HE1 TRP 30 HE1 TRP 30 14.723 -8.063 -1.268 220 HE3 TRP 30 HE3 TRP 30 11.591 -12.031 0.503 221 HZ2 TRP 30 HZ2 TRP 30 13.611 -7.560 1.322 222 HZ3 TRP 30 HZ3 TRP 30 11.095 -10.815 2.590 223 HH2 TRP 30 HH2 TRP 30 12.040 -8.559 2.991 224 H CYS 31 H CYS 31 9.664 -10.532 -2.347 225 HA CYS 31 HA CYS 31 9.024 -11.962 0.189 226 1HB CYS 31 2HB CYS 31 9.076 -9.589 0.362 227 2HB CYS 31 1HB CYS 31 7.937 -9.400 -0.973 228 H GLY 32 H GLY 32 8.327 -13.911 -0.745 229 1HA GLY 32 1HA GLY 32 6.501 -14.631 -2.537 230 2HA GLY 32 2HA GLY 32 6.502 -15.378 -0.940 231 HA PRO 33 HA PRO 33 2.506 -13.808 0.195 232 1HB PRO 33 1HB PRO 33 3.798 -11.721 1.977 233 2HB PRO 33 2HB PRO 33 2.353 -12.721 2.313 234 1HG PRO 33 2HG PRO 33 4.738 -13.476 3.331 235 2HG PRO 33 1HG PRO 33 3.677 -14.671 2.521 236 1HD PRO 33 1HD PRO 33 6.107 -13.220 1.389 237 2HD PRO 33 2HD PRO 33 5.688 -14.952 1.253 238 H CYS 34 H CYS 34 4.835 -11.159 -0.222 239 HA CYS 34 HA CYS 34 2.927 -9.094 -0.872 240 1HB CYS 34 2HB CYS 34 5.789 -9.175 -1.843 241 2HB CYS 34 1HB CYS 34 4.676 -7.829 -1.615 242 H ARG 35 HN ARG 35 5.049 -11.182 -2.818 243 HA ARG 35 HA ARG 35 4.288 -10.414 -5.395 244 1HB ARG 35 1HB ARG 35 6.164 -11.964 -4.553 245 2HB ARG 35 2HB ARG 35 4.976 -13.256 -4.533 246 1HG ARG 35 1HG ARG 35 4.531 -12.672 -7.028 247 2HG ARG 35 2HG ARG 35 6.031 -11.728 -6.926 248 1HD ARG 35 2HD ARG 35 5.626 -14.695 -6.403 249 2HD ARG 35 1HD ARG 35 6.568 -13.976 -7.725 250 HE ARG 35 HE ARG 35 7.893 -12.951 -5.630 251 1HH1 ARG 35 2HH1 ARG 35 6.900 -16.314 -6.161 252 2HH1 ARG 35 1HH1 ARG 35 8.017 -16.947 -4.982 253 1HH2 ARG 35 1HH2 ARG 35 9.271 -13.720 -4.176 254 2HH2 ARG 35 2HH2 ARG 35 9.440 -15.427 -3.803 255 H ILE 36 H ILE 36 2.995 -13.168 -3.468 256 HA ILE 36 HA ILE 36 1.028 -13.762 -5.536 257 HB ILE 36 HB ILE 36 0.273 -15.556 -4.136 258 1HG1 ILE 36 2HG1 ILE 36 1.879 -15.764 -1.918 259 2HG1 ILE 36 1HG1 ILE 36 1.571 -14.028 -1.936 260 1HG2 ILE 36 1HG2 ILE 36 2.369 -15.778 -5.449 261 2HG2 ILE 36 2HG2 ILE 36 2.333 -16.818 -4.018 262 3HG2 ILE 36 3HG2 ILE 36 3.314 -15.343 -4.011 263 1HD1 ILE 36 1HD1 ILE 36 -0.904 -14.533 -2.046 264 2HD1 ILE 36 2HD1 ILE 36 -0.508 -16.260 -1.956 265 3HD1 ILE 36 3HD1 ILE 36 -0.117 -15.192 -0.596 266 H ILE 37 H ILE 37 0.852 -11.762 -2.579 267 HA ILE 37 HA ILE 37 -2.084 -11.639 -2.783 268 HB ILE 37 HB ILE 37 -0.103 -10.137 -1.033 269 1HG1 ILE 37 2HG1 ILE 37 -0.323 -12.648 -0.605 270 2HG1 ILE 37 1HG1 ILE 37 -0.738 -11.598 0.740 271 1HG2 ILE 37 1HG2 ILE 37 -2.057 -8.769 -1.172 272 2HG2 ILE 37 2HG2 ILE 37 -2.157 -9.633 0.354 273 3HG2 ILE 37 3HG2 ILE 37 -3.147 -10.154 -1.027 274 1HD1 ILE 37 1HD1 ILE 37 -2.765 -12.953 -1.094 275 2HD1 ILE 37 2HD1 ILE 37 -3.133 -11.990 0.356 276 3HD1 ILE 37 3HD1 ILE 37 -2.261 -13.517 0.504 277 H ALA 38 H ALA 38 0.689 -9.740 -3.962 278 HA ALA 38 HA ALA 38 -0.211 -7.326 -4.553 279 1HB ALA 38 1HB ALA 38 1.220 -9.126 -6.556 280 2HB ALA 38 2HB ALA 38 1.137 -7.367 -6.593 281 3HB ALA 38 3HB ALA 38 1.967 -8.163 -5.266 282 HA PRO 39 HA PRO 39 -2.803 -8.456 -8.476 283 1HB PRO 39 2HB PRO 39 -3.880 -11.169 -7.840 284 2HB PRO 39 1HB PRO 39 -3.282 -10.544 -9.398 285 1HG PRO 39 2HG PRO 39 -1.816 -12.339 -7.948 286 2HG PRO 39 1HG PRO 39 -1.011 -10.968 -8.774 287 1HD PRO 39 1HD PRO 39 -1.956 -11.087 -5.891 288 2HD PRO 39 2HD PRO 39 -0.314 -10.715 -6.489 289 H VAL 40 H VAL 40 -3.522 -9.808 -5.292 290 HA VAL 40 HA VAL 40 -6.368 -9.281 -5.326 291 HB VAL 40 HB VAL 40 -4.596 -9.732 -2.888 292 1HG1 VAL 40 1HG1 VAL 40 -6.904 -9.023 -2.525 293 2HG1 VAL 40 2HG1 VAL 40 -7.481 -10.398 -3.502 294 3HG1 VAL 40 3HG1 VAL 40 -6.621 -10.686 -1.967 295 1HG2 VAL 40 1HG2 VAL 40 -5.805 -11.826 -4.758 296 2HG2 VAL 40 2HG2 VAL 40 -5.146 -12.164 -3.144 297 3HG2 VAL 40 3HG2 VAL 40 -4.074 -11.605 -4.427 298 H VAL 41 H VAL 41 -3.377 -7.730 -4.050 299 HA VAL 41 HA VAL 41 -4.677 -5.463 -2.895 300 HB VAL 41 HB VAL 41 -1.925 -5.390 -4.229 301 1HG1 VAL 41 1HG1 VAL 41 -2.702 -6.431 -1.481 302 2HG1 VAL 41 2HG1 VAL 41 -1.788 -7.254 -2.766 303 3HG1 VAL 41 3HG1 VAL 41 -1.060 -5.903 -1.917 304 1HG2 VAL 41 1HG2 VAL 41 -3.018 -3.993 -1.740 305 2HG2 VAL 41 2HG2 VAL 41 -3.086 -3.232 -3.327 306 3HG2 VAL 41 3HG2 VAL 41 -1.513 -3.617 -2.607 307 H ASP 42 HN ASP 42 -3.499 -6.066 -6.233 308 HA ASP 42 HA ASP 42 -4.202 -3.565 -7.364 309 1HB ASP 42 2HB ASP 42 -2.886 -5.190 -8.608 310 2HB ASP 42 1HB ASP 42 -4.189 -6.349 -8.628 311 H GLU 43 HN GLU 43 -6.133 -6.605 -7.592 312 HA GLU 43 HA GLU 43 -8.363 -5.273 -8.663 313 1HB GLU 43 2HB GLU 43 -9.614 -7.159 -8.373 314 2HB GLU 43 1HB GLU 43 -7.977 -7.711 -8.504 315 1HG GLU 43 2HG GLU 43 -8.100 -7.703 -5.812 316 2HG GLU 43 1HG GLU 43 -9.829 -7.556 -6.069 317 H ILE 44 H ILE 44 -7.491 -5.616 -5.166 318 HA ILE 44 HA ILE 44 -10.004 -4.625 -4.226 319 HB ILE 44 HB ILE 44 -7.181 -4.473 -3.132 320 1HG1 ILE 44 1HG1 ILE 44 -9.687 -5.896 -2.096 321 2HG1 ILE 44 2HG1 ILE 44 -8.641 -6.635 -3.295 322 1HG2 ILE 44 1HG2 ILE 44 -8.344 -2.494 -2.291 323 2HG2 ILE 44 2HG2 ILE 44 -8.221 -3.688 -1.000 324 3HG2 ILE 44 3HG2 ILE 44 -9.765 -3.478 -1.861 325 1HD1 ILE 44 1HD1 ILE 44 -7.891 -5.830 -0.471 326 2HD1 ILE 44 2HD1 ILE 44 -6.687 -6.319 -1.690 327 3HD1 ILE 44 3HD1 ILE 44 -7.946 -7.450 -1.174 328 H ALA 45 H ALA 45 -7.093 -2.889 -5.495 329 HA ALA 45 HA ALA 45 -8.398 -0.312 -5.181 330 1HB ALA 45 1HB ALA 45 -6.124 -1.187 -6.997 331 2HB ALA 45 2HB ALA 45 -6.714 0.476 -6.800 332 3HB ALA 45 3HB ALA 45 -6.056 -0.381 -5.403 333 H GLY 46 H GLY 46 -8.194 -2.665 -7.970 334 1HA GLY 46 2HA GLY 46 -9.549 -1.171 -9.905 335 2HA GLY 46 1HA GLY 46 -9.669 -2.931 -9.731 336 H GLU 47 HN GLU 47 -11.055 -3.562 -7.755 337 HA GLU 47 HA GLU 47 -13.758 -2.985 -8.004 338 1HB GLU 47 2HB GLU 47 -12.122 -3.810 -5.581 339 2HB GLU 47 1HB GLU 47 -13.891 -3.833 -5.600 340 1HG GLU 47 1HG GLU 47 -13.917 -5.507 -7.361 341 2HG GLU 47 2HG GLU 47 -12.163 -5.431 -7.549 342 H TYR 48 H TYR 48 -11.544 -1.517 -5.584 343 HA TYR 48 HA TYR 48 -13.601 0.461 -4.801 344 1HB TYR 48 1HB TYR 48 -10.809 -0.114 -3.751 345 2HB TYR 48 2HB TYR 48 -11.837 1.187 -3.202 346 HD1 TYR 48 HD1 TYR 48 -12.151 -2.598 -3.686 347 HD2 TYR 48 HD2 TYR 48 -13.072 0.846 -1.263 348 HE1 TYR 48 HE1 TYR 48 -13.777 -3.925 -2.427 349 HE2 TYR 48 HE2 TYR 48 -14.716 -0.496 -0.004 350 HH TYR 48 HH TYR 48 -15.792 -2.554 0.170 351 H LYS 49 HN LYS 49 -13.421 0.851 -7.223 352 HA LYS 49 HA LYS 49 -11.634 2.475 -8.514 353 1HB LYS 49 1HB LYS 49 -13.569 3.316 -9.801 354 2HB LYS 49 2HB LYS 49 -13.552 1.559 -9.604 355 1HG LYS 49 1HG LYS 49 -15.263 1.720 -7.812 356 2HG LYS 49 2HG LYS 49 -15.263 3.487 -7.973 357 1HD LYS 49 1HD LYS 49 -16.027 3.277 -10.326 358 2HD LYS 49 2HD LYS 49 -15.952 1.512 -10.196 359 1HE LYS 49 2HE LYS 49 -18.261 2.265 -9.943 360 2HE LYS 49 1HE LYS 49 -17.691 1.544 -8.429 361 1HZ LYS 49 1HZ LYS 49 -17.335 3.747 -7.585 362 2HZ LYS 49 2HZ LYS 49 -18.895 3.579 -8.084 363 3HZ LYS 49 3HZ LYS 49 -17.823 4.425 -9.006 364 H ASP 50 HN ASP 50 -11.134 4.635 -8.564 365 HA ASP 50 HA ASP 50 -10.816 6.762 -8.003 366 1HB ASP 50 2HB ASP 50 -13.284 6.960 -8.324 367 2HB ASP 50 1HB ASP 50 -13.537 6.678 -6.606 368 H LYS 51 HN LYS 51 -12.441 5.285 -5.260 369 HA LYS 51 HA LYS 51 -11.188 6.982 -3.361 370 1HB LYS 51 1HB LYS 51 -12.326 5.620 -1.695 371 2HB LYS 51 2HB LYS 51 -13.387 5.966 -3.035 372 1HG LYS 51 2HG LYS 51 -12.819 3.654 -3.969 373 2HG LYS 51 1HG LYS 51 -11.998 3.338 -2.434 374 1HD LYS 51 2HD LYS 51 -14.937 4.117 -2.726 375 2HD LYS 51 1HD LYS 51 -14.336 2.461 -2.603 376 1HE LYS 51 2HE LYS 51 -13.285 3.076 -0.365 377 2HE LYS 51 1HE LYS 51 -14.124 4.632 -0.464 378 1HZ LYS 51 1HZ LYS 51 -15.432 2.005 -0.537 379 2HZ LYS 51 2HZ LYS 51 -15.301 2.953 0.795 380 3HZ LYS 51 3HZ LYS 51 -16.186 3.472 -0.500 381 H LEU 52 H LEU 52 -9.830 4.094 -4.707 382 HA LEU 52 HA LEU 52 -7.821 4.129 -2.460 383 1HB LEU 52 1HB LEU 52 -9.866 2.333 -2.548 384 2HB LEU 52 2HB LEU 52 -8.701 1.466 -3.555 385 HG LEU 52 HG LEU 52 -7.081 2.079 -1.488 386 1HD1 LEU 52 1HD1 LEU 52 -8.871 3.585 -0.529 387 2HD1 LEU 52 2HD1 LEU 52 -9.925 2.185 -0.325 388 3HD1 LEU 52 3HD1 LEU 52 -8.407 2.305 0.593 389 1HD2 LEU 52 1HD2 LEU 52 -9.293 -0.028 -1.370 390 2HD2 LEU 52 2HD2 LEU 52 -7.689 -0.211 -2.118 391 3HD2 LEU 52 3HD2 LEU 52 -7.830 -0.015 -0.362 392 H LYS 53 HN LYS 53 -5.864 4.730 -3.426 393 HA LYS 53 HA LYS 53 -5.342 3.626 -6.143 394 1HB LYS 53 1HB LYS 53 -5.052 6.077 -5.280 395 2HB LYS 53 2HB LYS 53 -3.561 5.498 -4.593 396 1HG LYS 53 2HG LYS 53 -4.435 5.450 -7.526 397 2HG LYS 53 1HG LYS 53 -3.214 6.497 -6.791 398 1HD LYS 53 1HD LYS 53 -1.788 4.494 -6.332 399 2HD LYS 53 2HD LYS 53 -3.002 3.460 -7.099 400 1HE LYS 53 1HE LYS 53 -1.263 3.841 -8.679 401 2HE LYS 53 2HE LYS 53 -2.723 4.669 -9.239 402 1HZ LYS 53 1HZ LYS 53 -0.460 5.928 -7.849 403 2HZ LYS 53 2HZ LYS 53 -0.760 6.013 -9.468 404 3HZ LYS 53 3HZ LYS 53 -1.800 6.712 -8.400 405 H CYS 54 H CYS 54 -4.368 1.605 -6.167 406 HA CYS 54 HA CYS 54 -3.020 0.618 -3.707 407 1HB CYS 54 1HB CYS 54 -4.156 -1.173 -4.647 408 2HB CYS 54 2HB CYS 54 -3.866 -0.637 -6.320 409 HG CYS 54 HG CYS 54 -2.705 -2.906 -5.851 410 H VAL 55 H VAL 55 -0.890 0.490 -3.419 411 HA VAL 55 HA VAL 55 0.810 0.785 -5.790 412 HB VAL 55 HB VAL 55 2.033 2.334 -3.632 413 1HG1 VAL 55 1HG1 VAL 55 -0.249 3.000 -3.049 414 2HG1 VAL 55 2HG1 VAL 55 -0.532 3.535 -4.726 415 3HG1 VAL 55 3HG1 VAL 55 0.697 4.340 -3.739 416 1HG2 VAL 55 1HG2 VAL 55 2.738 2.274 -5.979 417 2HG2 VAL 55 2HG2 VAL 55 1.175 2.966 -6.481 418 3HG2 VAL 55 3HG2 VAL 55 2.286 3.923 -5.478 419 H LYS 56 HN LYS 56 2.950 0.201 -5.527 420 HA LYS 56 HA LYS 56 3.425 -1.693 -3.271 421 1HB LYS 56 1HB LYS 56 3.994 -2.065 -6.214 422 2HB LYS 56 2HB LYS 56 4.191 -3.260 -4.903 423 1HG LYS 56 2HG LYS 56 1.701 -3.133 -4.495 424 2HG LYS 56 1HG LYS 56 1.590 -2.088 -5.935 425 1HD LYS 56 1HD LYS 56 2.817 -3.875 -7.209 426 2HD LYS 56 2HD LYS 56 2.562 -4.953 -5.819 427 1HE LYS 56 1HE LYS 56 0.160 -4.873 -6.085 428 2HE LYS 56 2HE LYS 56 0.231 -3.422 -7.091 429 1HZ LYS 56 1HZ LYS 56 -0.240 -5.386 -8.351 430 2HZ LYS 56 2HZ LYS 56 1.133 -4.627 -8.853 431 3HZ LYS 56 3HZ LYS 56 1.238 -6.015 -7.981 432 H LEU 57 H LEU 57 5.081 -0.842 -2.175 433 HA LEU 57 HA LEU 57 7.131 0.714 -3.642 434 1HB LEU 57 2HB LEU 57 7.618 1.875 -2.015 435 2HB LEU 57 1HB LEU 57 5.959 1.666 -1.539 436 HG LEU 57 HG LEU 57 6.917 0.293 0.376 437 1HD1 LEU 57 1HD1 LEU 57 6.465 2.678 0.564 438 2HD1 LEU 57 2HD1 LEU 57 7.928 2.272 1.464 439 3HD1 LEU 57 3HD1 LEU 57 8.065 3.070 -0.105 440 1HD2 LEU 57 1HD2 LEU 57 9.019 -0.609 -0.126 441 2HD2 LEU 57 2HD2 LEU 57 9.502 0.807 -1.090 442 3HD2 LEU 57 3HD2 LEU 57 9.518 0.860 0.682 443 H ASN 58 H ASN 58 8.980 -0.119 -4.252 444 HA ASN 58 HA ASN 58 9.548 -2.871 -3.389 445 1HB ASN 58 2HB ASN 58 9.961 -2.165 -5.716 446 2HB ASN 58 1HB ASN 58 11.203 -1.041 -5.163 447 1HD2 ASN 58 2HD2 ASN 58 10.765 -4.140 -6.389 448 2HD2 ASN 58 1HD2 ASN 58 12.231 -4.873 -5.760 449 H THR 59 H THR 59 10.327 -3.179 -1.473 450 HA THR 59 HA THR 59 11.455 -1.113 0.191 451 HB THR 59 HB THR 59 11.365 -4.127 0.657 452 HG1 THR 59 HG1 THR 59 9.320 -3.468 0.094 453 1HG2 THR 59 1HG2 THR 59 11.087 -3.459 3.024 454 2HG2 THR 59 2HG2 THR 59 11.249 -1.751 2.562 455 3HG2 THR 59 3HG2 THR 59 12.625 -2.864 2.375 456 H ASP 60 HN ASP 60 12.791 -3.624 -1.837 457 HA ASP 60 HA ASP 60 15.391 -3.840 -0.601 458 1HB ASP 60 1HB ASP 60 13.964 -5.406 -2.203 459 2HB ASP 60 2HB ASP 60 14.745 -4.496 -3.497 460 H GLU 61 HN GLU 61 13.937 -2.113 -3.278 461 HA GLU 61 HA GLU 61 16.292 -0.603 -4.095 462 1HB GLU 61 2HB GLU 61 14.522 -1.496 -5.620 463 2HB GLU 61 1HB GLU 61 13.343 -0.440 -4.822 464 1HG GLU 61 2HG GLU 61 14.581 1.556 -5.632 465 2HG GLU 61 1HG GLU 61 15.757 0.489 -6.422 466 H SER 62 H SER 62 13.478 -0.076 -1.999 467 HA SER 62 HA SER 62 14.245 2.780 -1.547 468 1HB SER 62 2HB SER 62 12.194 2.304 -2.956 469 2HB SER 62 1HB SER 62 11.474 1.570 -1.525 470 HG SER 62 HG SER 62 11.685 3.476 -0.430 471 HA PRO 63 HA PRO 63 14.079 0.240 2.502 472 1HB PRO 63 1HB PRO 63 16.669 0.543 3.280 473 2HB PRO 63 2HB PRO 63 16.186 -0.745 2.133 474 1HG PRO 63 2HG PRO 63 17.279 2.012 1.432 475 2HG PRO 63 1HG PRO 63 17.885 0.451 0.868 476 1HD PRO 63 1HD PRO 63 16.139 1.831 -0.635 477 2HD PRO 63 2HD PRO 63 15.956 0.052 -0.484 478 H ASN 64 H ASN 64 15.545 3.194 1.291 479 HA ASN 64 HA ASN 64 15.814 4.950 3.304 480 1HB ASN 64 1HB ASN 64 14.095 5.561 0.851 481 2HB ASN 64 2HB ASN 64 14.932 6.733 1.875 482 1HD2 ASN 64 1HD2 ASN 64 15.707 7.395 -0.324 483 2HD2 ASN 64 2HD2 ASN 64 17.163 6.597 -0.929 484 H VAL 65 H VAL 65 12.626 4.360 1.819 485 HA VAL 65 HA VAL 65 11.104 5.919 3.632 486 HB VAL 65 HB VAL 65 10.330 3.576 1.825 487 1HG1 VAL 65 1HG2 VAL 65 8.050 4.655 1.950 488 2HG1 VAL 65 2HG2 VAL 65 8.671 5.667 3.276 489 3HG1 VAL 65 3HG2 VAL 65 8.587 3.899 3.455 490 1HG2 VAL 65 1HG1 VAL 65 10.234 6.602 1.418 491 2HG2 VAL 65 2HG1 VAL 65 11.350 5.486 0.610 492 3HG2 VAL 65 3HG1 VAL 65 9.613 5.374 0.290 493 H ALA 66 H ALA 66 11.672 2.436 3.449 494 HA ALA 66 HA ALA 66 10.195 1.630 5.737 495 1HB ALA 66 1HB ALA 66 12.808 0.419 4.719 496 2HB ALA 66 2HB ALA 66 11.184 0.057 4.095 497 3HB ALA 66 3HB ALA 66 11.616 -0.367 5.762 498 H SER 67 H SER 67 13.516 2.897 5.505 499 HA SER 67 HA SER 67 14.148 2.582 8.291 500 1HB SER 67 1HB SER 67 15.383 4.528 6.290 501 2HB SER 67 2HB SER 67 16.089 3.930 7.796 502 HG SER 67 HG SER 67 15.400 2.351 5.522 503 H GLU 68 HN GLU 68 12.944 5.297 6.327 504 HA GLU 68 HA GLU 68 12.880 7.307 8.333 505 1HB GLU 68 2HB GLU 68 11.110 6.825 5.900 506 2HB GLU 68 1HB GLU 68 10.991 8.261 6.909 507 1HG GLU 68 1HG GLU 68 13.150 9.033 6.325 508 2HG GLU 68 2HG GLU 68 13.661 7.469 5.695 509 H TYR 69 H TYR 69 10.431 4.831 7.457 510 HA TYR 69 HA TYR 69 8.621 5.698 9.595 511 1HB TYR 69 2HB TYR 69 8.718 3.349 7.679 512 2HB TYR 69 1HB TYR 69 7.583 3.381 9.017 513 HD1 TYR 69 HD1 TYR 69 6.110 5.546 9.295 514 HD2 TYR 69 HD2 TYR 69 8.045 4.372 5.633 515 HE1 TYR 69 HE1 TYR 69 4.641 7.087 8.027 516 HE2 TYR 69 HE2 TYR 69 6.554 5.908 4.360 517 HH TYR 69 HH TYR 69 4.181 8.008 5.977 518 H GLY 70 H GLY 70 11.115 3.198 9.240 519 1HA GLY 70 2HA GLY 70 12.480 2.514 11.038 520 2HA GLY 70 1HA GLY 70 11.214 2.913 12.204 521 H ILE 71 H ILE 71 11.159 0.939 9.167 522 HA ILE 71 HA ILE 71 10.599 -1.527 10.680 523 HB ILE 71 HB ILE 71 8.935 -1.978 8.852 524 1HG1 ILE 71 1HG1 ILE 71 8.948 1.020 8.363 525 2HG1 ILE 71 2HG1 ILE 71 9.758 -0.159 7.315 526 1HG2 ILE 71 1HG2 ILE 71 8.194 0.404 10.615 527 2HG2 ILE 71 2HG2 ILE 71 8.323 -1.266 11.202 528 3HG2 ILE 71 3HG2 ILE 71 7.099 -0.851 10.003 529 1HD1 ILE 71 1HD1 ILE 71 7.576 0.409 6.423 530 2HD1 ILE 71 2HD1 ILE 71 7.618 -1.301 6.893 531 3HD1 ILE 71 3HD1 ILE 71 6.782 -0.105 7.916 532 H ARG 72 HN ARG 72 10.571 -3.312 8.758 533 HA ARG 72 HA ARG 72 12.573 -2.863 6.689 534 1HB ARG 72 1HB ARG 72 14.119 -3.104 8.529 535 2HB ARG 72 2HB ARG 72 13.194 -4.453 9.197 536 1HG ARG 72 2HG ARG 72 13.781 -5.817 7.169 537 2HG ARG 72 1HG ARG 72 14.733 -4.464 6.556 538 1HD ARG 72 2HD ARG 72 16.102 -6.258 7.713 539 2HD ARG 72 1HD ARG 72 16.310 -4.628 8.355 540 HE ARG 72 HE ARG 72 15.687 -5.397 10.375 541 1HH1 ARG 72 1HH1 ARG 72 14.182 -7.564 8.029 542 2HH1 ARG 72 2HH1 ARG 72 12.945 -8.108 9.134 543 1HH2 ARG 72 2HH2 ARG 72 14.373 -6.435 11.917 544 2HH2 ARG 72 1HH2 ARG 72 13.288 -7.712 11.433 545 H SER 73 H SER 73 11.364 -5.633 8.706 546 HA SER 73 HA SER 73 11.092 -7.433 6.622 547 1HB SER 73 1HB SER 73 9.226 -7.167 8.973 548 2HB SER 73 2HB SER 73 9.613 -8.666 8.116 549 HG SER 73 HG SER 73 10.770 -8.404 10.114 550 H ILE 74 H ILE 74 9.174 -8.254 5.565 551 HA ILE 74 HA ILE 74 6.931 -6.439 5.158 552 HB ILE 74 HB ILE 74 7.321 -6.757 2.606 553 1HG1 ILE 74 1HG1 ILE 74 10.216 -7.092 3.427 554 2HG1 ILE 74 2HG1 ILE 74 9.176 -8.427 2.882 555 1HG2 ILE 74 1HG2 ILE 74 7.539 -4.610 3.945 556 2HG2 ILE 74 2HG2 ILE 74 8.553 -4.676 2.506 557 3HG2 ILE 74 3HG2 ILE 74 9.273 -4.944 4.097 558 1HD1 ILE 74 1HD1 ILE 74 8.728 -7.194 0.767 559 2HD1 ILE 74 2HD1 ILE 74 9.884 -5.939 1.271 560 3HD1 ILE 74 3HD1 ILE 74 10.435 -7.591 1.003 561 HA PRO 75 HA PRO 75 5.164 -6.889 3.021 562 1HB PRO 75 2HB PRO 75 2.566 -7.515 3.494 563 2HB PRO 75 1HB PRO 75 3.538 -8.325 2.255 564 1HG PRO 75 1HG PRO 75 3.028 -9.288 5.096 565 2HG PRO 75 2HG PRO 75 2.819 -10.219 3.585 566 1HD PRO 75 1HD PRO 75 5.070 -10.408 5.098 567 2HD PRO 75 2HD PRO 75 5.190 -10.416 3.322 568 H THR 76 H THR 76 3.993 -5.107 3.667 569 HA THR 76 HA THR 76 2.948 -4.693 6.308 570 HB THR 76 HB THR 76 5.631 -3.443 5.599 571 HG1 THR 76 HG1 THR 76 5.229 -5.441 6.973 572 1HG2 THR 76 1HG2 THR 76 3.561 -2.529 7.642 573 2HG2 THR 76 2HG2 THR 76 4.199 -1.567 6.285 574 3HG2 THR 76 3HG2 THR 76 5.256 -2.012 7.637 575 H ILE 77 H ILE 77 1.209 -3.543 5.775 576 HA ILE 77 HA ILE 77 1.145 -2.063 3.196 577 HB ILE 77 HB ILE 77 -1.024 -3.285 4.927 578 1HG1 ILE 77 2HG1 ILE 77 -0.184 -3.922 2.061 579 2HG1 ILE 77 1HG1 ILE 77 0.379 -4.825 3.471 580 1HG2 ILE 77 1HG2 ILE 77 -2.586 -2.543 3.072 581 2HG2 ILE 77 2HG2 ILE 77 -1.912 -1.208 3.986 582 3HG2 ILE 77 3HG2 ILE 77 -1.237 -1.607 2.395 583 1HD1 ILE 77 1HD1 ILE 77 -1.408 -6.061 2.514 584 2HD1 ILE 77 2HD1 ILE 77 -2.495 -4.669 2.504 585 3HD1 ILE 77 3HD1 ILE 77 -1.984 -5.389 4.050 586 H MET 78 H MET 78 0.400 0.133 3.239 587 HA MET 78 HA MET 78 -0.205 1.323 5.895 588 1HB MET 78 1HB MET 78 1.794 2.366 3.874 589 2HB MET 78 2HB MET 78 1.106 3.338 5.193 590 1HG MET 78 2HG MET 78 1.978 1.654 6.830 591 2HG MET 78 1HG MET 78 2.810 0.855 5.489 592 1HE MET 78 1HE MET 78 4.437 1.556 7.961 593 2HE MET 78 2HE MET 78 5.114 0.944 6.430 594 3HE MET 78 3HE MET 78 5.856 2.347 7.231 595 H VAL 79 H VAL 79 -1.868 2.666 5.823 596 HA VAL 79 HA VAL 79 -3.168 3.134 3.179 597 HB VAL 79 HB VAL 79 -4.219 3.149 6.043 598 1HG1 VAL 79 1HG1 VAL 79 -4.900 1.413 3.634 599 2HG1 VAL 79 2HG1 VAL 79 -3.894 0.922 5.012 600 3HG1 VAL 79 3HG1 VAL 79 -5.604 1.283 5.263 601 1HG2 VAL 79 1HG2 VAL 79 -5.708 3.909 3.481 602 2HG2 VAL 79 2HG2 VAL 79 -6.468 3.625 5.058 603 3HG2 VAL 79 3HG2 VAL 79 -5.375 4.980 4.849 604 H PHE 80 H PHE 80 -3.529 5.220 2.490 605 HA PHE 80 HA PHE 80 -2.841 7.470 4.293 606 1HB PHE 80 1HB PHE 80 -2.067 7.296 1.360 607 2HB PHE 80 2HB PHE 80 -1.756 8.626 2.445 608 HD1 PHE 80 HD1 PHE 80 0.396 8.786 3.417 609 HD2 PHE 80 HD2 PHE 80 -0.960 4.990 1.898 610 HE1 PHE 80 HE1 PHE 80 2.542 7.751 4.080 611 HE2 PHE 80 HE2 PHE 80 1.182 3.974 2.535 612 HZ PHE 80 HZ PHE 80 2.893 5.300 3.772 613 H LYS 81 HN LYS 81 -4.086 9.326 3.910 614 HA LYS 81 HA LYS 81 -6.076 9.426 1.812 615 1HB LYS 81 1HB LYS 81 -7.948 9.672 3.618 616 2HB LYS 81 2HB LYS 81 -7.467 8.096 3.010 617 1HG LYS 81 2HG LYS 81 -7.852 7.875 5.302 618 2HG LYS 81 1HG LYS 81 -6.142 7.624 5.022 619 1HD LYS 81 2HD LYS 81 -6.912 10.433 5.667 620 2HD LYS 81 1HD LYS 81 -7.344 9.273 6.926 621 1HE LYS 81 1HE LYS 81 -5.224 8.947 7.608 622 2HE LYS 81 2HE LYS 81 -4.547 8.981 5.970 623 1HZ LYS 81 1HZ LYS 81 -3.803 10.753 7.308 624 2HZ LYS 81 2HZ LYS 81 -4.680 11.327 6.030 625 3HZ LYS 81 3HZ LYS 81 -5.340 11.315 7.548 626 H GLY 82 H GLY 82 -6.594 11.559 1.413 627 1HA GLY 82 2HA GLY 82 -6.169 13.830 1.481 628 2HA GLY 82 1HA GLY 82 -6.139 13.709 3.258 629 H GLY 83 H GLY 83 -4.154 12.211 0.653 630 1HA GLY 83 2HA GLY 83 -1.933 12.213 0.218 631 2HA GLY 83 1HA GLY 83 -1.791 13.663 1.213 632 H LYS 84 HN LYS 84 -2.220 12.940 3.695 633 HA LYS 84 HA LYS 84 0.176 11.326 4.257 634 1HB LYS 84 1HB LYS 84 -1.639 12.831 6.176 635 2HB LYS 84 2HB LYS 84 0.004 12.255 6.501 636 1HG LYS 84 2HG LYS 84 -0.812 14.418 4.513 637 2HG LYS 84 1HG LYS 84 0.024 14.649 6.042 638 1HD LYS 84 1HD LYS 84 2.014 13.480 5.235 639 2HD LYS 84 2HD LYS 84 1.235 13.071 3.700 640 1HE LYS 84 2HE LYS 84 1.714 15.928 4.597 641 2HE LYS 84 1HE LYS 84 2.764 15.001 3.512 642 1HZ LYS 84 1HZ LYS 84 -0.049 15.654 3.000 643 2HZ LYS 84 2HZ LYS 84 1.262 16.328 2.271 644 3HZ LYS 84 3HZ LYS 84 0.903 14.740 2.017 645 H LYS 85 HN LYS 85 0.247 10.022 6.225 646 HA LYS 85 HA LYS 85 -1.066 7.588 5.618 647 1HB LYS 85 2HB LYS 85 1.251 7.877 6.446 648 2HB LYS 85 1HB LYS 85 0.619 8.382 8.023 649 1HG LYS 85 2HG LYS 85 -0.375 6.168 8.366 650 2HG LYS 85 1HG LYS 85 0.083 5.669 6.718 651 1HD LYS 85 1HD LYS 85 2.448 5.818 7.302 652 2HD LYS 85 2HD LYS 85 2.052 6.516 8.893 653 1HE LYS 85 1HE LYS 85 0.820 4.427 9.486 654 2HE LYS 85 2HE LYS 85 1.264 3.733 7.916 655 1HZ LYS 85 1HZ LYS 85 2.717 2.998 9.600 656 2HZ LYS 85 2HZ LYS 85 3.569 3.971 8.575 657 3HZ LYS 85 3HZ LYS 85 3.111 4.537 10.054 658 H CYS 86 H CYS 86 -2.324 6.274 6.913 659 HA CYS 86 HA CYS 86 -4.054 7.512 9.018 660 1HB CYS 86 2HB CYS 86 -5.322 6.847 6.964 661 2HB CYS 86 1HB CYS 86 -4.659 5.230 7.064 662 HG CYS 86 HG CYS 86 -6.395 6.850 9.352 663 H GLU 87 HN GLU 87 -3.195 4.197 7.932 664 HA GLU 87 HA GLU 87 -2.112 3.481 10.567 665 1HB GLU 87 1HB GLU 87 -4.632 2.338 9.276 666 2HB GLU 87 2HB GLU 87 -3.728 1.408 10.466 667 1HG GLU 87 1HG GLU 87 -4.967 4.142 10.980 668 2HG GLU 87 2HG GLU 87 -5.648 2.594 11.468 669 H THR 88 H THR 88 -1.552 1.079 10.489 670 HA THR 88 HA THR 88 -0.190 0.415 7.937 671 HB THR 88 HB THR 88 0.734 -0.175 10.779 672 HG1 THR 88 HG1 THR 88 0.772 2.051 10.283 673 1HG2 THR 88 1HG2 THR 88 2.216 -0.347 8.113 674 2HG2 THR 88 2HG2 THR 88 1.674 -1.731 9.088 675 3HG2 THR 88 3HG2 THR 88 2.916 -0.636 9.715 676 H ILE 89 H ILE 89 -0.223 -1.892 7.440 677 HA ILE 89 HA ILE 89 -1.716 -3.699 9.202 678 HB ILE 89 HB ILE 89 -2.519 -4.058 6.369 679 1HG1 ILE 89 1HG1 ILE 89 -3.691 -1.637 7.804 680 2HG1 ILE 89 2HG1 ILE 89 -2.610 -1.565 6.398 681 1HG2 ILE 89 1HG2 ILE 89 -4.159 -3.808 8.918 682 2HG2 ILE 89 2HG2 ILE 89 -3.348 -5.299 8.417 683 3HG2 ILE 89 3HG2 ILE 89 -4.624 -4.630 7.410 684 1HD1 ILE 89 1HD1 ILE 89 -4.240 -2.877 5.065 685 2HD1 ILE 89 2HD1 ILE 89 -4.850 -1.306 5.617 686 3HD1 ILE 89 3HD1 ILE 89 -5.387 -2.783 6.419 687 H ILE 90 H ILE 90 -1.638 -5.980 7.624 688 HA ILE 90 HA ILE 90 1.151 -6.245 6.668 689 HB ILE 90 HB ILE 90 -0.206 -8.020 8.755 690 1HG1 ILE 90 1HG1 ILE 90 2.194 -6.129 8.944 691 2HG1 ILE 90 2HG1 ILE 90 0.623 -5.922 9.734 692 1HG2 ILE 90 1HG2 ILE 90 2.555 -8.246 7.464 693 2HG2 ILE 90 2HG2 ILE 90 1.937 -9.276 8.770 694 3HG2 ILE 90 3HG2 ILE 90 1.189 -9.356 7.199 695 1HD1 ILE 90 1HD1 ILE 90 2.089 -6.687 11.401 696 2HD1 ILE 90 2HD1 ILE 90 1.029 -8.054 11.005 697 3HD1 ILE 90 3HD1 ILE 90 2.709 -8.007 10.406 698 H GLY 91 H GLY 91 1.353 -8.032 5.227 699 1HA GLY 91 2HA GLY 91 -1.022 -8.530 3.585 700 2HA GLY 91 1HA GLY 91 0.634 -9.071 3.279 701 H ALA 92 H ALA 92 -0.075 -11.247 2.802 702 HA ALA 92 HA ALA 92 -0.853 -13.350 3.166 703 1HB ALA 92 1HB ALA 92 0.069 -14.424 5.154 704 2HB ALA 92 2HB ALA 92 1.254 -13.280 4.501 705 3HB ALA 92 3HB ALA 92 0.312 -12.857 5.947 706 H VAL 93 H VAL 93 -2.971 -11.551 3.369 707 HA VAL 93 HA VAL 93 -4.779 -12.992 5.179 708 HB VAL 93 HB VAL 93 -5.880 -10.823 5.783 709 1HG1 VAL 93 1HG2 VAL 93 -4.689 -8.715 5.631 710 2HG1 VAL 93 2HG2 VAL 93 -4.859 -9.398 4.010 711 3HG1 VAL 93 3HG2 VAL 93 -3.303 -9.495 4.846 712 1HG2 VAL 93 1HG1 VAL 93 -3.045 -11.078 6.845 713 2HG2 VAL 93 2HG1 VAL 93 -4.450 -12.010 7.397 714 3HG2 VAL 93 3HG1 VAL 93 -4.405 -10.251 7.620 715 HA PRO 94 HA PRO 94 -7.038 -12.733 1.406 716 1HB PRO 94 1HB PRO 94 -9.630 -13.209 2.131 717 2HB PRO 94 2HB PRO 94 -8.337 -14.429 2.242 718 1HG PRO 94 1HG PRO 94 -9.417 -12.633 4.432 719 2HG PRO 94 2HG PRO 94 -9.127 -14.391 4.526 720 1HD PRO 94 2HD PRO 94 -7.345 -12.523 5.471 721 2HD PRO 94 1HD PRO 94 -6.802 -14.070 4.783 722 H LYS 95 HN LYS 95 -8.517 -11.542 0.166 723 HA LYS 95 HA LYS 95 -8.415 -8.832 0.434 724 1HB LYS 95 1HB LYS 95 -10.288 -8.725 -1.206 725 2HB LYS 95 2HB LYS 95 -8.992 -9.822 -1.696 726 1HG LYS 95 2HG LYS 95 -10.428 -11.754 -0.896 727 2HG LYS 95 1HG LYS 95 -11.746 -10.594 -0.642 728 1HD LYS 95 1HD LYS 95 -10.330 -11.124 -3.294 729 2HD LYS 95 2HD LYS 95 -11.902 -11.769 -2.804 730 1HE LYS 95 2HE LYS 95 -12.766 -9.404 -2.603 731 2HE LYS 95 1HE LYS 95 -11.222 -8.824 -3.263 732 1HZ LYS 95 1HZ LYS 95 -11.627 -10.083 -5.221 733 2HZ LYS 95 2HZ LYS 95 -12.863 -9.032 -4.946 734 3HZ LYS 95 3HZ LYS 95 -13.068 -10.639 -4.633 735 H ALA 96 H ALA 96 -11.088 -10.893 1.511 736 HA ALA 96 HA ALA 96 -12.944 -8.975 2.316 737 1HB ALA 96 1HB ALA 96 -13.699 -10.646 3.978 738 2HB ALA 96 2HB ALA 96 -12.189 -11.558 3.762 739 3HB ALA 96 3HB ALA 96 -13.342 -11.409 2.416 740 H THR 97 H THR 97 -10.016 -10.084 4.118 741 HA THR 97 HA THR 97 -10.605 -8.581 6.501 742 HB THR 97 HB THR 97 -7.930 -9.604 5.444 743 HG1 THR 97 HG1 THR 97 -9.952 -10.899 6.962 744 1HG2 THR 97 1HG2 THR 97 -8.944 -9.111 8.283 745 2HG2 THR 97 2HG2 THR 97 -7.384 -9.837 7.843 746 3HG2 THR 97 3HG2 THR 97 -7.718 -8.146 7.430 747 H ILE 98 H ILE 98 -8.487 -8.067 3.653 748 HA ILE 98 HA ILE 98 -7.379 -5.558 4.446 749 HB ILE 98 HB ILE 98 -7.913 -6.726 1.671 750 1HG1 ILE 98 2HG1 ILE 98 -5.412 -6.765 3.417 751 2HG1 ILE 98 1HG1 ILE 98 -6.499 -8.129 3.119 752 1HG2 ILE 98 1HG2 ILE 98 -7.534 -4.243 1.591 753 2HG2 ILE 98 2HG2 ILE 98 -6.078 -4.438 2.586 754 3HG2 ILE 98 3HG2 ILE 98 -6.138 -5.086 0.938 755 1HD1 ILE 98 1HD1 ILE 98 -5.994 -7.977 0.672 756 2HD1 ILE 98 2HD1 ILE 98 -4.622 -8.425 1.699 757 3HD1 ILE 98 3HD1 ILE 98 -4.729 -6.784 1.057 758 H VAL 99 H VAL 99 -10.194 -6.268 2.386 759 HA VAL 99 HA VAL 99 -11.085 -3.667 1.877 760 HB VAL 99 HB VAL 99 -12.494 -6.351 2.093 761 1HG1 VAL 99 1HG1 VAL 99 -14.392 -5.223 0.855 762 2HG1 VAL 99 2HG1 VAL 99 -13.665 -3.664 1.308 763 3HG1 VAL 99 3HG1 VAL 99 -14.259 -4.782 2.558 764 1HG2 VAL 99 1HG2 VAL 99 -11.849 -4.541 -0.287 765 2HG2 VAL 99 2HG2 VAL 99 -10.854 -5.921 0.199 766 3HG2 VAL 99 3HG2 VAL 99 -12.516 -6.184 -0.353 767 H GLN 100 H GLN 100 -12.258 -5.895 4.527 768 HA GLN 100 HA GLN 100 -13.910 -3.951 5.757 769 1HB GLN 100 1HB GLN 100 -12.380 -6.342 6.846 770 2HB GLN 100 2HB GLN 100 -13.452 -5.363 7.863 771 1HG GLN 100 1HG GLN 100 -15.366 -5.811 6.516 772 2HG GLN 100 2HG GLN 100 -14.416 -6.591 5.248 773 1HE2 GLN 100 1HE2 GLN 100 -13.107 -8.506 5.945 774 2HE2 GLN 100 2HE2 GLN 100 -13.863 -9.635 7.086 775 H THR 101 H THR 101 -10.462 -4.687 6.359 776 HA THR 101 HA THR 101 -10.151 -2.854 8.511 777 HB THR 101 HB THR 101 -8.024 -3.815 6.550 778 HG1 THR 101 HG1 THR 101 -9.076 -5.550 7.495 779 1HG2 THR 101 1HG2 THR 101 -7.890 -2.759 9.418 780 2HG2 THR 101 2HG2 THR 101 -7.192 -1.993 7.974 781 3HG2 THR 101 3HG2 THR 101 -6.546 -3.533 8.564 782 H VAL 102 H VAL 102 -9.655 -2.341 4.947 783 HA VAL 102 HA VAL 102 -8.738 0.360 5.446 784 HB VAL 102 HB VAL 102 -8.277 -1.223 3.479 785 1HG1 VAL 102 1HG2 VAL 102 -7.668 0.699 2.079 786 2HG1 VAL 102 2HG2 VAL 102 -7.372 1.077 3.777 787 3HG1 VAL 102 3HG2 VAL 102 -8.808 1.736 2.974 788 1HG2 VAL 102 1HG1 VAL 102 -10.667 0.147 2.227 789 2HG2 VAL 102 2HG1 VAL 102 -9.441 -0.845 1.415 790 3HG2 VAL 102 3HG1 VAL 102 -10.501 -1.587 2.605 791 H GLU 103 HN GLU 103 -11.801 -1.061 4.396 792 HA GLU 103 HA GLU 103 -13.361 1.243 4.065 793 1HB GLU 103 1HB GLU 103 -14.046 -1.521 5.137 794 2HB GLU 103 2HB GLU 103 -15.252 -0.253 4.925 795 1HG GLU 103 1HG GLU 103 -14.786 -0.046 2.560 796 2HG GLU 103 2HG GLU 103 -13.534 -1.286 2.640 797 H LYS 104 HN LYS 104 -12.708 -0.542 7.085 798 HA LYS 104 HA LYS 104 -14.204 0.939 8.912 799 1HB LYS 104 2HB LYS 104 -12.925 -0.988 9.581 800 2HB LYS 104 1HB LYS 104 -11.403 -0.207 9.127 801 1HG LYS 104 1HG LYS 104 -11.911 1.549 10.953 802 2HG LYS 104 2HG LYS 104 -13.136 0.425 11.530 803 1HD LYS 104 2HD LYS 104 -10.154 -0.179 11.107 804 2HD LYS 104 1HD LYS 104 -10.854 0.393 12.617 805 1HE LYS 104 1HE LYS 104 -10.678 -1.917 12.957 806 2HE LYS 104 2HE LYS 104 -12.387 -1.695 12.556 807 1HZ LYS 104 1HZ LYS 104 -11.844 -2.406 10.317 808 2HZ LYS 104 2HZ LYS 104 -10.257 -2.570 10.722 809 3HZ LYS 104 3HZ LYS 104 -11.390 -3.542 11.415 810 H TYR 105 H TYR 105 -11.036 1.831 7.449 811 HA TYR 105 HA TYR 105 -10.861 4.261 9.087 812 1HB TYR 105 1HB TYR 105 -9.166 3.660 6.670 813 2HB TYR 105 2HB TYR 105 -8.808 4.588 8.133 814 HD1 TYR 105 HD1 TYR 105 -9.369 2.801 10.357 815 HD2 TYR 105 HD2 TYR 105 -7.461 2.070 6.566 816 HE1 TYR 105 HE1 TYR 105 -7.967 1.051 11.398 817 HE2 TYR 105 HE2 TYR 105 -6.056 0.314 7.611 818 HH TYR 105 HH TYR 105 -6.269 -0.488 11.080 819 H LEU 106 H LEU 106 -11.638 3.348 5.732 820 HA LEU 106 HA LEU 106 -12.229 6.170 4.981 821 1HB LEU 106 2HB LEU 106 -12.213 3.573 3.376 822 2HB LEU 106 1HB LEU 106 -12.530 5.192 2.722 823 HG LEU 106 HG LEU 106 -9.932 4.166 3.942 824 1HD1 LEU 106 1HD2 LEU 106 -10.082 6.557 4.425 825 2HD1 LEU 106 2HD2 LEU 106 -10.602 6.898 2.757 826 3HD1 LEU 106 3HD2 LEU 106 -8.961 6.300 3.087 827 1HD2 LEU 106 1HD1 LEU 106 -9.106 4.362 1.632 828 2HD2 LEU 106 2HD1 LEU 106 -10.704 4.886 1.067 829 3HD2 LEU 106 3HD1 LEU 106 -10.491 3.253 1.716 830 H ASN 107 H ASN 107 -14.134 3.632 3.495 831 HA ASN 107 HA ASN 107 -16.351 3.567 5.188 832 1HB ASN 107 1HB ASN 107 -16.533 5.931 4.100 833 2HB ASN 107 2HB ASN 107 -16.735 5.085 2.563 834 1HD2 ASN 107 1HD2 ASN 107 -18.409 2.880 3.554 835 2HD2 ASN 107 2HD2 ASN 107 -19.951 3.618 4.008 Start of MODEL 12 1 1H MET 1 1H MET 1 -6.341 -3.862 -13.234 2 2H MET 1 2H MET 1 -5.815 -3.534 -11.714 3 3H MET 1 3H MET 1 -6.902 -2.543 -12.451 4 HA MET 1 HA MET 1 -4.063 -2.816 -13.090 5 1HB MET 1 2HB MET 1 -4.513 -1.464 -15.123 6 2HB MET 1 1HB MET 1 -5.205 -3.075 -15.201 7 1HG MET 1 1HG MET 1 -6.861 -0.644 -14.362 8 2HG MET 1 2HG MET 1 -6.642 -1.117 -16.045 9 1HE MET 1 1HE MET 1 -7.726 -3.067 -17.226 10 2HE MET 1 2HE MET 1 -8.681 -4.338 -16.434 11 3HE MET 1 3HE MET 1 -6.924 -4.273 -16.187 12 H GLU 2 HN GLU 2 -4.954 -1.787 -10.651 13 HA GLU 2 HA GLU 2 -4.846 1.186 -10.999 14 1HB GLU 2 2HB GLU 2 -6.059 -0.401 -8.706 15 2HB GLU 2 1HB GLU 2 -6.031 1.351 -8.918 16 1HG GLU 2 2HG GLU 2 -8.203 0.771 -9.612 17 2HG GLU 2 1HG GLU 2 -7.323 0.956 -11.135 18 H ALA 3 H ALA 3 -3.588 -1.652 -9.293 19 HA ALA 3 HA ALA 3 -2.001 -0.253 -7.376 20 1HB ALA 3 1HB ALA 3 -1.720 -3.042 -8.553 21 2HB ALA 3 2HB ALA 3 -0.886 -2.430 -7.106 22 3HB ALA 3 3HB ALA 3 -2.646 -2.576 -7.109 23 H GLY 4 H GLY 4 -0.725 1.420 -8.321 24 1HA GLY 4 2HA GLY 4 1.062 0.856 -10.572 25 2HA GLY 4 1HA GLY 4 1.029 2.304 -9.554 26 H ALA 5 H ALA 5 3.510 1.862 -9.900 27 HA ALA 5 HA ALA 5 4.527 0.232 -7.621 28 1HB ALA 5 1HB ALA 5 5.781 0.534 -10.376 29 2HB ALA 5 2HB ALA 5 6.506 -0.289 -8.977 30 3HB ALA 5 3HB ALA 5 5.033 -0.943 -9.723 31 H VAL 6 H VAL 6 6.095 1.327 -6.372 32 HA VAL 6 HA VAL 6 7.058 3.962 -7.343 33 HB VAL 6 HB VAL 6 6.529 4.820 -4.915 34 1HG1 VAL 6 1HG1 VAL 6 4.364 2.689 -5.123 35 2HG1 VAL 6 2HG1 VAL 6 4.409 4.034 -3.974 36 3HG1 VAL 6 3HG1 VAL 6 5.647 2.789 -3.919 37 1HG2 VAL 6 1HG2 VAL 6 4.454 4.628 -7.089 38 2HG2 VAL 6 2HG2 VAL 6 4.337 5.667 -5.648 39 3HG2 VAL 6 3HG2 VAL 6 5.646 5.904 -6.811 40 H ASN 7 H ASN 7 8.577 4.954 -5.853 41 HA ASN 7 HA ASN 7 10.160 3.186 -4.168 42 1HB ASN 7 2HB ASN 7 11.319 2.859 -6.249 43 2HB ASN 7 1HB ASN 7 11.177 4.579 -6.678 44 1HD2 ASN 7 2HD2 ASN 7 12.508 2.758 -3.811 45 2HD2 ASN 7 1HD2 ASN 7 14.091 3.469 -3.924 46 H ASP 8 HN ASP 8 11.882 4.689 -3.177 47 HA ASP 8 HA ASP 8 10.856 6.537 -1.497 48 1HB ASP 8 2HB ASP 8 13.623 6.728 -2.808 49 2HB ASP 8 1HB ASP 8 13.119 7.626 -1.374 50 H ASP 9 HN ASP 9 12.138 7.394 -4.694 51 HA ASP 9 HA ASP 9 11.605 10.222 -4.466 52 1HB ASP 9 1HB ASP 9 13.231 9.422 -6.065 53 2HB ASP 9 2HB ASP 9 12.052 8.406 -6.884 54 H THR 10 H THR 10 10.050 7.994 -6.776 55 HA THR 10 HA THR 10 7.914 9.579 -7.492 56 HB THR 10 HB THR 10 6.847 7.350 -8.140 57 HG1 THR 10 HG1 THR 10 8.413 5.595 -7.935 58 1HG2 THR 10 1HG2 THR 10 8.358 8.616 -9.637 59 2HG2 THR 10 2HG2 THR 10 9.764 7.798 -8.933 60 3HG2 THR 10 3HG2 THR 10 8.555 6.869 -9.841 61 H PHE 11 H PHE 11 8.066 7.354 -4.771 62 HA PHE 11 HA PHE 11 5.569 7.126 -3.728 63 1HB PHE 11 1HB PHE 11 7.639 6.316 -2.712 64 2HB PHE 11 2HB PHE 11 8.155 7.937 -2.336 65 HD1 PHE 11 HD1 PHE 11 7.849 8.707 -0.146 66 HD2 PHE 11 HD2 PHE 11 5.343 5.545 -1.661 67 HE1 PHE 11 HE1 PHE 11 6.927 8.352 2.117 68 HE2 PHE 11 HE2 PHE 11 4.335 5.268 0.590 69 HZ PHE 11 HZ PHE 11 5.162 6.630 2.490 70 H LYS 12 HN LYS 12 7.673 9.895 -3.405 71 HA LYS 12 HA LYS 12 6.259 11.608 -1.688 72 1HB LYS 12 1HB LYS 12 7.882 12.249 -4.190 73 2HB LYS 12 2HB LYS 12 7.202 13.470 -3.137 74 1HG LYS 12 1HG LYS 12 8.540 12.601 -1.226 75 2HG LYS 12 2HG LYS 12 9.050 11.207 -2.190 76 1HD LYS 12 2HD LYS 12 10.871 12.770 -2.100 77 2HD LYS 12 1HD LYS 12 10.260 12.676 -3.758 78 1HE LYS 12 1HE LYS 12 9.029 14.808 -3.442 79 2HE LYS 12 2HE LYS 12 9.543 14.869 -1.744 80 1HZ LYS 12 1HZ LYS 12 11.314 14.953 -4.085 81 2HZ LYS 12 2HZ LYS 12 11.800 15.024 -2.511 82 3HZ LYS 12 3HZ LYS 12 10.887 16.240 -3.149 83 H ASN 13 H ASN 13 6.081 11.821 -5.272 84 HA ASN 13 HA ASN 13 3.838 13.622 -5.102 85 1HB ASN 13 2HB ASN 13 5.552 13.466 -7.006 86 2HB ASN 13 1HB ASN 13 4.711 12.037 -7.561 87 1HD2 ASN 13 1HD2 ASN 13 3.880 15.396 -6.402 88 2HD2 ASN 13 2HD2 ASN 13 2.713 15.674 -7.691 89 H VAL 14 H VAL 14 4.337 10.253 -5.914 90 HA VAL 14 HA VAL 14 1.732 9.941 -6.980 91 HB VAL 14 HB VAL 14 3.830 7.911 -6.081 92 1HG1 VAL 14 1HG1 VAL 14 2.959 8.845 -8.856 93 2HG1 VAL 14 2HG1 VAL 14 4.435 9.373 -8.032 94 3HG1 VAL 14 3HG1 VAL 14 4.250 7.680 -8.505 95 1HG2 VAL 14 1HG2 VAL 14 2.615 6.245 -7.523 96 2HG2 VAL 14 2HG2 VAL 14 1.245 7.363 -7.600 97 3HG2 VAL 14 3HG2 VAL 14 1.751 6.668 -6.043 98 H VAL 15 H VAL 15 3.091 9.383 -3.751 99 HA VAL 15 HA VAL 15 0.473 8.366 -2.755 100 HB VAL 15 HB VAL 15 3.183 8.214 -1.374 101 1HG1 VAL 15 1HG1 VAL 15 0.632 6.679 -0.852 102 2HG1 VAL 15 2HG1 VAL 15 1.096 8.141 0.040 103 3HG1 VAL 15 3HG1 VAL 15 2.136 6.731 0.110 104 1HG2 VAL 15 1HG2 VAL 15 3.347 6.926 -3.429 105 2HG2 VAL 15 2HG2 VAL 15 1.767 6.185 -3.123 106 3HG2 VAL 15 3HG2 VAL 15 3.140 5.832 -2.059 107 H LEU 16 H LEU 16 3.187 10.273 -1.348 108 HA LEU 16 HA LEU 16 1.629 11.277 0.762 109 1HB LEU 16 1HB LEU 16 4.021 12.707 -0.460 110 2HB LEU 16 2HB LEU 16 3.376 12.873 1.160 111 HG LEU 16 HG LEU 16 4.740 10.401 -0.010 112 1HD1 LEU 16 1HD1 LEU 16 6.461 10.909 1.646 113 2HD1 LEU 16 2HD1 LEU 16 5.520 12.294 2.244 114 3HD1 LEU 16 3HD1 LEU 16 6.200 12.321 0.605 115 1HD2 LEU 16 1HD2 LEU 16 3.007 9.602 1.519 116 2HD2 LEU 16 2HD2 LEU 16 3.466 10.825 2.728 117 3HD2 LEU 16 3HD2 LEU 16 4.569 9.499 2.332 118 H GLU 17 HN GLU 17 2.501 13.008 -2.250 119 HA GLU 17 HA GLU 17 0.697 15.226 -1.595 120 1HB GLU 17 1HB GLU 17 2.137 14.642 -4.196 121 2HB GLU 17 2HB GLU 17 1.457 16.182 -3.681 122 1HG GLU 17 2HG GLU 17 3.058 16.287 -1.786 123 2HG GLU 17 1HG GLU 17 3.830 14.797 -2.341 124 H SER 18 H SER 18 -0.341 12.228 -2.381 125 HA SER 18 HA SER 18 -1.852 12.703 -4.779 126 1HB SER 18 2HB SER 18 -1.361 10.456 -3.893 127 2HB SER 18 1HB SER 18 -2.398 10.789 -2.483 128 HG SER 18 HG SER 18 -4.099 10.425 -3.692 129 H SER 19 H SER 19 -4.167 13.094 -4.932 130 HA SER 19 HA SER 19 -5.173 15.097 -3.049 131 1HB SER 19 2HB SER 19 -7.090 14.988 -4.774 132 2HB SER 19 1HB SER 19 -5.503 15.513 -5.377 133 HG SER 19 HG SER 19 -6.382 13.897 -6.739 134 H VAL 20 H VAL 20 -6.476 12.150 -4.525 135 HA VAL 20 HA VAL 20 -8.272 11.641 -2.271 136 HB VAL 20 HB VAL 20 -8.929 9.623 -3.526 137 1HG1 VAL 20 1HG2 VAL 20 -6.825 10.411 -5.592 138 2HG1 VAL 20 2HG2 VAL 20 -6.774 8.974 -4.549 139 3HG1 VAL 20 3HG2 VAL 20 -8.051 9.143 -5.756 140 1HG2 VAL 20 1HG1 VAL 20 -9.919 10.743 -5.447 141 2HG2 VAL 20 2HG1 VAL 20 -8.766 12.085 -5.315 142 3HG2 VAL 20 3HG1 VAL 20 -9.968 11.811 -4.035 143 HA PRO 21 HA PRO 21 -5.556 9.139 0.169 144 1HB PRO 21 1HB PRO 21 -7.730 7.030 0.132 145 2HB PRO 21 2HB PRO 21 -6.810 7.603 1.544 146 1HG PRO 21 1HG PRO 21 -9.291 8.476 1.083 147 2HG PRO 21 2HG PRO 21 -8.041 9.639 1.617 148 1HD PRO 21 1HD PRO 21 -9.196 9.304 -1.147 149 2HD PRO 21 2HD PRO 21 -8.628 10.762 -0.297 150 H VAL 22 H VAL 22 -4.464 6.997 0.289 151 HA VAL 22 HA VAL 22 -4.346 5.545 -2.277 152 HB VAL 22 HB VAL 22 -1.912 6.786 -0.923 153 1HG1 VAL 22 1HG2 VAL 22 -0.937 6.267 -3.205 154 2HG1 VAL 22 2HG2 VAL 22 -2.421 5.340 -3.527 155 3HG1 VAL 22 3HG2 VAL 22 -1.352 4.868 -2.191 156 1HG2 VAL 22 1HG1 VAL 22 -3.160 8.681 -1.740 157 2HG2 VAL 22 2HG1 VAL 22 -3.446 7.884 -3.302 158 3HG2 VAL 22 3HG1 VAL 22 -1.813 8.363 -2.831 159 H LEU 23 H LEU 23 -3.622 3.435 -2.083 160 HA LEU 23 HA LEU 23 -2.937 2.372 0.613 161 1HB LEU 23 2HB LEU 23 -4.885 1.467 -0.672 162 2HB LEU 23 1HB LEU 23 -3.810 0.927 -1.937 163 HG LEU 23 HG LEU 23 -3.133 0.051 0.866 164 1HD1 LEU 23 1HD1 LEU 23 -1.795 -0.722 -1.118 165 2HD1 LEU 23 2HD1 LEU 23 -3.281 -1.395 -1.819 166 3HD1 LEU 23 3HD1 LEU 23 -2.620 -2.079 -0.333 167 1HD2 LEU 23 1HD2 LEU 23 -4.782 -1.801 0.769 168 2HD2 LEU 23 2HD2 LEU 23 -5.514 -1.065 -0.673 169 3HD2 LEU 23 3HD2 LEU 23 -5.560 -0.217 0.892 170 H VAL 24 H VAL 24 -0.795 1.655 0.908 171 HA VAL 24 HA VAL 24 0.922 1.369 -1.544 172 HB VAL 24 HB VAL 24 1.729 2.583 1.107 173 1HG1 VAL 24 1HG1 VAL 24 3.265 2.132 -1.500 174 2HG1 VAL 24 2HG1 VAL 24 3.572 1.292 0.033 175 3HG1 VAL 24 3HG1 VAL 24 3.868 3.024 -0.090 176 1HG2 VAL 24 1HG2 VAL 24 0.368 4.157 -0.209 177 2HG2 VAL 24 2HG2 VAL 24 2.080 4.599 -0.280 178 3HG2 VAL 24 3HG2 VAL 24 1.321 3.796 -1.667 179 H ASP 25 HN ASP 25 1.327 -0.773 -1.749 180 HA ASP 25 HA ASP 25 1.644 -2.436 0.713 181 1HB ASP 25 1HB ASP 25 0.319 -3.445 -1.070 182 2HB ASP 25 2HB ASP 25 1.648 -3.199 -2.219 183 H PHE 26 H PHE 26 3.678 -2.459 1.610 184 HA PHE 26 HA PHE 26 6.030 -1.681 -0.018 185 1HB PHE 26 1HB PHE 26 5.618 -2.479 2.873 186 2HB PHE 26 2HB PHE 26 7.207 -2.378 2.138 187 HD1 PHE 26 HD1 PHE 26 8.398 -0.400 2.380 188 HD2 PHE 26 HD2 PHE 26 4.081 -0.200 2.304 189 HE1 PHE 26 HE1 PHE 26 8.486 1.941 3.138 190 HE2 PHE 26 HE2 PHE 26 4.204 2.214 2.795 191 HZ PHE 26 HZ PHE 26 6.372 3.233 3.467 192 H TRP 27 H TRP 27 6.889 -3.189 -1.363 193 HA TRP 27 HA TRP 27 6.711 -6.073 -0.598 194 1HB TRP 27 2HB TRP 27 6.105 -6.641 -2.844 195 2HB TRP 27 1HB TRP 27 4.972 -5.421 -2.298 196 HD1 TRP 27 HD1 TRP 27 5.620 -2.868 -3.219 197 HE1 TRP 27 HE1 TRP 27 6.719 -2.067 -5.431 198 HE3 TRP 27 HE3 TRP 27 7.435 -7.337 -4.834 199 HZ2 TRP 27 HZ2 TRP 27 8.423 -3.217 -7.436 200 HZ3 TRP 27 HZ3 TRP 27 8.856 -7.451 -6.882 201 HH2 TRP 27 HH2 TRP 27 9.328 -5.410 -8.193 202 H ALA 28 H ALA 28 8.018 -7.265 -2.548 203 HA ALA 28 HA ALA 28 10.306 -5.944 -3.573 204 1HB ALA 28 1HB ALA 28 11.091 -6.182 -1.163 205 2HB ALA 28 2HB ALA 28 12.052 -7.181 -2.247 206 3HB ALA 28 3HB ALA 28 10.786 -7.930 -1.274 207 HA PRO 29 HA PRO 29 9.681 -9.470 -6.204 208 1HB PRO 29 1HB PRO 29 12.198 -10.288 -6.990 209 2HB PRO 29 2HB PRO 29 11.342 -8.844 -7.615 210 1HG PRO 29 2HG PRO 29 13.427 -8.955 -5.428 211 2HG PRO 29 1HG PRO 29 13.344 -7.817 -6.803 212 1HD PRO 29 1HD PRO 29 12.442 -7.090 -4.364 213 2HD PRO 29 2HD PRO 29 11.496 -6.656 -5.799 214 H TRP 30 H TRP 30 12.231 -9.956 -3.754 215 HA TRP 30 HA TRP 30 11.825 -12.815 -3.552 216 1HB TRP 30 1HB TRP 30 13.215 -12.547 -1.508 217 2HB TRP 30 2HB TRP 30 13.938 -11.884 -2.966 218 HD1 TRP 30 HD1 TRP 30 14.630 -9.412 -2.963 219 HE1 TRP 30 HE1 TRP 30 14.702 -7.546 -1.209 220 HE3 TRP 30 HE3 TRP 30 11.590 -11.516 0.605 221 HZ2 TRP 30 HZ2 TRP 30 13.503 -6.982 1.343 222 HZ3 TRP 30 HZ3 TRP 30 11.027 -10.254 2.646 223 HH2 TRP 30 HH2 TRP 30 11.909 -7.964 2.996 224 H CYS 31 H CYS 31 9.789 -10.211 -2.580 225 HA CYS 31 HA CYS 31 8.988 -11.427 -0.012 226 1HB CYS 31 1HB CYS 31 8.823 -9.001 -0.284 227 2HB CYS 31 2HB CYS 31 7.706 -9.230 -1.620 228 H GLY 32 H GLY 32 8.655 -13.552 -0.936 229 1HA GLY 32 1HA GLY 32 7.023 -14.577 -2.758 230 2HA GLY 32 2HA GLY 32 7.016 -15.236 -1.122 231 HA PRO 33 HA PRO 33 2.841 -14.113 -0.370 232 1HB PRO 33 2HB PRO 33 3.506 -11.871 1.503 233 2HB PRO 33 1HB PRO 33 2.366 -13.221 1.746 234 1HG PRO 33 1HG PRO 33 4.775 -13.231 2.931 235 2HG PRO 33 2HG PRO 33 4.163 -14.737 2.175 236 1HD PRO 33 1HD PRO 33 6.176 -12.791 1.028 237 2HD PRO 33 2HD PRO 33 6.202 -14.576 1.007 238 H CYS 34 H CYS 34 4.869 -11.215 -0.782 239 HA CYS 34 HA CYS 34 2.835 -9.296 -1.395 240 1HB CYS 34 2HB CYS 34 5.637 -9.313 -2.474 241 2HB CYS 34 1HB CYS 34 4.445 -8.025 -2.455 242 H ARG 35 HN ARG 35 4.802 -11.507 -3.447 243 HA ARG 35 HA ARG 35 3.821 -10.671 -5.960 244 1HB ARG 35 2HB ARG 35 4.706 -13.477 -5.129 245 2HB ARG 35 1HB ARG 35 4.626 -12.821 -6.755 246 1HG ARG 35 1HG ARG 35 6.567 -12.084 -4.539 247 2HG ARG 35 2HG ARG 35 6.921 -12.800 -6.104 248 1HD ARG 35 1HD ARG 35 5.990 -9.960 -5.547 249 2HD ARG 35 2HD ARG 35 7.583 -10.480 -6.110 250 HE ARG 35 HE ARG 35 5.940 -11.485 -8.043 251 1HH1 ARG 35 1HH1 ARG 35 6.386 -8.247 -6.709 252 2HH1 ARG 35 2HH1 ARG 35 5.868 -7.421 -8.151 253 1HH2 ARG 35 1HH2 ARG 35 5.254 -10.430 -9.933 254 2HH2 ARG 35 2HH2 ARG 35 5.219 -8.691 -10.024 255 H ILE 36 H ILE 36 2.650 -13.374 -3.895 256 HA ILE 36 HA ILE 36 0.499 -13.959 -5.775 257 HB ILE 36 HB ILE 36 -0.291 -15.523 -4.037 258 1HG1 ILE 36 1HG1 ILE 36 2.181 -14.776 -2.430 259 2HG1 ILE 36 2HG1 ILE 36 0.588 -14.078 -2.091 260 1HG2 ILE 36 1HG2 ILE 36 1.645 -17.038 -4.239 261 2HG2 ILE 36 2HG2 ILE 36 2.715 -15.673 -4.610 262 3HG2 ILE 36 3HG2 ILE 36 1.429 -16.133 -5.742 263 1HD1 ILE 36 1HD1 ILE 36 0.952 -15.895 -0.614 264 2HD1 ILE 36 2HD1 ILE 36 1.228 -17.013 -1.971 265 3HD1 ILE 36 3HD1 ILE 36 -0.378 -16.266 -1.733 266 H ILE 37 H ILE 37 0.699 -11.992 -2.828 267 HA ILE 37 HA ILE 37 -2.156 -11.480 -2.728 268 HB ILE 37 HB ILE 37 0.219 -10.135 -1.388 269 1HG1 ILE 37 2HG1 ILE 37 -1.950 -11.990 -0.257 270 2HG1 ILE 37 1HG1 ILE 37 -0.399 -12.585 -0.818 271 1HG2 ILE 37 1HG2 ILE 37 -1.698 -8.543 -1.453 272 2HG2 ILE 37 2HG2 ILE 37 -1.408 -9.113 0.168 273 3HG2 ILE 37 3HG2 ILE 37 -2.753 -9.791 -0.766 274 1HD1 ILE 37 1HD1 ILE 37 0.746 -11.071 0.836 275 2HD1 ILE 37 2HD1 ILE 37 -0.856 -10.742 1.543 276 3HD1 ILE 37 3HD1 ILE 37 -0.221 -12.391 1.520 277 H ALA 38 H ALA 38 0.498 -9.957 -4.535 278 HA ALA 38 HA ALA 38 -0.294 -7.499 -5.149 279 1HB ALA 38 1HB ALA 38 0.613 -7.769 -7.388 280 2HB ALA 38 2HB ALA 38 1.592 -8.667 -6.217 281 3HB ALA 38 3HB ALA 38 0.471 -9.529 -7.290 282 HA PRO 39 HA PRO 39 -3.772 -8.611 -8.331 283 1HB PRO 39 2HB PRO 39 -4.926 -11.135 -7.229 284 2HB PRO 39 1HB PRO 39 -4.622 -10.697 -8.931 285 1HG PRO 39 2HG PRO 39 -3.052 -12.533 -7.645 286 2HG PRO 39 1HG PRO 39 -2.324 -11.331 -8.758 287 1HD PRO 39 1HD PRO 39 -2.632 -11.098 -5.745 288 2HD PRO 39 2HD PRO 39 -1.121 -10.982 -6.704 289 H VAL 40 H VAL 40 -3.902 -9.679 -4.949 290 HA VAL 40 HA VAL 40 -6.611 -8.887 -4.388 291 HB VAL 40 HB VAL 40 -4.284 -9.365 -2.479 292 1HG1 VAL 40 1HG1 VAL 40 -5.996 -9.715 -0.837 293 2HG1 VAL 40 2HG1 VAL 40 -7.245 -9.222 -2.025 294 3HG1 VAL 40 3HG1 VAL 40 -6.003 -8.066 -1.469 295 1HG2 VAL 40 1HG2 VAL 40 -4.746 -11.395 -3.839 296 2HG2 VAL 40 2HG2 VAL 40 -6.478 -11.236 -3.474 297 3HG2 VAL 40 3HG2 VAL 40 -5.317 -11.596 -2.179 298 H VAL 41 H VAL 41 -3.337 -7.501 -3.890 299 HA VAL 41 HA VAL 41 -4.008 -5.027 -2.722 300 HB VAL 41 HB VAL 41 -1.820 -5.528 -4.805 301 1HG1 VAL 41 1HG1 VAL 41 -1.483 -7.060 -3.004 302 2HG1 VAL 41 2HG1 VAL 41 -0.307 -5.773 -2.847 303 3HG1 VAL 41 3HG1 VAL 41 -1.732 -5.796 -1.780 304 1HG2 VAL 41 1HG2 VAL 41 -2.042 -3.210 -4.630 305 2HG2 VAL 41 2HG2 VAL 41 -2.215 -3.246 -2.856 306 3HG2 VAL 41 3HG2 VAL 41 -0.664 -3.616 -3.626 307 H ASP 42 HN ASP 42 -3.925 -5.960 -6.169 308 HA ASP 42 HA ASP 42 -4.734 -3.401 -7.164 309 1HB ASP 42 2HB ASP 42 -3.599 -5.308 -8.421 310 2HB ASP 42 1HB ASP 42 -5.159 -6.104 -8.526 311 H GLU 43 HN GLU 43 -6.710 -6.431 -7.010 312 HA GLU 43 HA GLU 43 -9.055 -5.133 -7.870 313 1HB GLU 43 1HB GLU 43 -10.208 -7.065 -7.352 314 2HB GLU 43 2HB GLU 43 -8.585 -7.624 -7.770 315 1HG GLU 43 1HG GLU 43 -8.108 -7.650 -5.261 316 2HG GLU 43 2HG GLU 43 -9.839 -7.403 -4.987 317 H ILE 44 H ILE 44 -7.859 -5.546 -4.480 318 HA ILE 44 HA ILE 44 -10.244 -4.508 -3.268 319 HB ILE 44 HB ILE 44 -7.334 -4.561 -2.352 320 1HG1 ILE 44 2HG1 ILE 44 -9.879 -6.118 -1.662 321 2HG1 ILE 44 1HG1 ILE 44 -8.492 -6.744 -2.556 322 1HG2 ILE 44 1HG2 ILE 44 -8.140 -3.917 -0.111 323 2HG2 ILE 44 2HG2 ILE 44 -9.788 -3.721 -0.748 324 3HG2 ILE 44 3HG2 ILE 44 -8.474 -2.634 -1.251 325 1HD1 ILE 44 1HD1 ILE 44 -8.628 -6.038 0.393 326 2HD1 ILE 44 2HD1 ILE 44 -8.299 -7.605 -0.348 327 3HD1 ILE 44 3HD1 ILE 44 -7.091 -6.305 -0.465 328 H ALA 45 H ALA 45 -7.402 -2.930 -4.788 329 HA ALA 45 HA ALA 45 -8.162 -0.270 -3.990 330 1HB ALA 45 1HB ALA 45 -6.686 0.476 -5.675 331 2HB ALA 45 2HB ALA 45 -6.724 -1.045 -6.561 332 3HB ALA 45 3HB ALA 45 -5.958 -1.008 -4.965 333 H GLY 46 H GLY 46 -8.733 -2.253 -6.948 334 1HA GLY 46 1HA GLY 46 -10.279 -0.593 -8.497 335 2HA GLY 46 2HA GLY 46 -10.550 -2.339 -8.357 336 H GLU 47 HN GLU 47 -11.539 -2.760 -5.923 337 HA GLU 47 HA GLU 47 -14.246 -2.157 -5.994 338 1HB GLU 47 1HB GLU 47 -12.362 -2.785 -3.681 339 2HB GLU 47 2HB GLU 47 -14.089 -2.601 -3.471 340 1HG GLU 47 1HG GLU 47 -14.505 -4.406 -5.137 341 2HG GLU 47 2HG GLU 47 -12.765 -4.617 -5.356 342 H TYR 48 H TYR 48 -11.679 -0.192 -4.591 343 HA TYR 48 HA TYR 48 -13.653 1.945 -3.836 344 1HB TYR 48 1HB TYR 48 -10.937 1.393 -2.615 345 2HB TYR 48 2HB TYR 48 -12.158 2.517 -2.018 346 HD1 TYR 48 HD1 TYR 48 -14.568 1.266 -1.581 347 HD2 TYR 48 HD2 TYR 48 -10.661 -0.555 -1.367 348 HE1 TYR 48 HE1 TYR 48 -15.472 -0.510 -0.116 349 HE2 TYR 48 HE2 TYR 48 -11.591 -2.363 0.044 350 HH TYR 48 HH TYR 48 -14.983 -2.409 1.088 351 H LYS 49 HN LYS 49 -12.075 1.486 -6.442 352 HA LYS 49 HA LYS 49 -9.861 2.859 -6.873 353 1HB LYS 49 2HB LYS 49 -11.145 1.788 -8.632 354 2HB LYS 49 1HB LYS 49 -12.394 3.041 -8.559 355 1HG LYS 49 1HG LYS 49 -10.819 4.719 -9.404 356 2HG LYS 49 2HG LYS 49 -9.485 3.547 -9.329 357 1HD LYS 49 1HD LYS 49 -10.500 2.190 -11.078 358 2HD LYS 49 2HD LYS 49 -12.010 3.110 -10.990 359 1HE LYS 49 2HE LYS 49 -10.711 3.761 -12.970 360 2HE LYS 49 1HE LYS 49 -10.913 5.123 -11.858 361 1HZ LYS 49 1HZ LYS 49 -8.513 3.442 -12.084 362 2HZ LYS 49 2HZ LYS 49 -8.698 4.726 -11.065 363 3HZ LYS 49 3HZ LYS 49 -8.689 4.963 -12.695 364 H ASP 50 HN ASP 50 -12.945 4.600 -6.805 365 HA ASP 50 HA ASP 50 -12.019 7.217 -7.309 366 1HB ASP 50 2HB ASP 50 -14.381 6.529 -7.298 367 2HB ASP 50 1HB ASP 50 -14.340 6.233 -5.571 368 H LYS 51 HN LYS 51 -12.647 5.626 -4.247 369 HA LYS 51 HA LYS 51 -11.845 7.875 -2.591 370 1HB LYS 51 2HB LYS 51 -12.460 4.980 -1.888 371 2HB LYS 51 1HB LYS 51 -12.425 6.345 -0.770 372 1HG LYS 51 1HG LYS 51 -14.411 7.317 -1.649 373 2HG LYS 51 2HG LYS 51 -14.383 6.321 -3.094 374 1HD LYS 51 2HD LYS 51 -16.084 5.428 -1.685 375 2HD LYS 51 1HD LYS 51 -14.757 4.270 -1.760 376 1HE LYS 51 1HE LYS 51 -15.629 4.398 0.504 377 2HE LYS 51 2HE LYS 51 -13.983 5.041 0.503 378 1HZ LYS 51 1HZ LYS 51 -15.644 6.325 1.745 379 2HZ LYS 51 2HZ LYS 51 -14.887 7.226 0.576 380 3HZ LYS 51 3HZ LYS 51 -16.426 6.669 0.350 381 H LEU 52 H LEU 52 -10.208 5.050 -3.895 382 HA LEU 52 HA LEU 52 -7.841 5.587 -2.143 383 1HB LEU 52 2HB LEU 52 -9.417 3.864 -1.218 384 2HB LEU 52 1HB LEU 52 -9.248 2.958 -2.696 385 HG LEU 52 HG LEU 52 -6.745 2.762 -2.129 386 1HD1 LEU 52 1HD1 LEU 52 -7.814 3.760 0.556 387 2HD1 LEU 52 2HD1 LEU 52 -6.222 3.048 0.310 388 3HD1 LEU 52 3HD1 LEU 52 -6.626 4.597 -0.455 389 1HD2 LEU 52 1HD2 LEU 52 -8.854 1.568 -0.275 390 2HD2 LEU 52 2HD2 LEU 52 -7.212 0.937 -0.494 391 3HD2 LEU 52 3HD2 LEU 52 -8.349 0.923 -1.849 392 H LYS 53 HN LYS 53 -6.120 5.953 -3.478 393 HA LYS 53 HA LYS 53 -5.931 4.654 -6.129 394 1HB LYS 53 2HB LYS 53 -4.779 6.976 -4.782 395 2HB LYS 53 1HB LYS 53 -3.484 5.923 -5.350 396 1HG LYS 53 1HG LYS 53 -5.755 6.872 -7.117 397 2HG LYS 53 2HG LYS 53 -4.175 7.663 -6.984 398 1HD LYS 53 2HD LYS 53 -3.041 5.525 -7.650 399 2HD LYS 53 1HD LYS 53 -4.618 4.778 -7.936 400 1HE LYS 53 1HE LYS 53 -3.527 7.242 -9.371 401 2HE LYS 53 2HE LYS 53 -3.604 5.598 -10.024 402 1HZ LYS 53 1HZ LYS 53 -5.987 5.691 -9.814 403 2HZ LYS 53 2HZ LYS 53 -5.912 7.235 -9.242 404 3HZ LYS 53 3HZ LYS 53 -5.426 6.903 -10.779 405 H CYS 54 H CYS 54 -3.694 3.367 -6.433 406 HA CYS 54 HA CYS 54 -2.949 2.063 -3.901 407 1HB CYS 54 1HB CYS 54 -4.821 0.795 -4.515 408 2HB CYS 54 2HB CYS 54 -4.242 0.574 -6.206 409 HG CYS 54 HG CYS 54 -3.969 -1.636 -4.733 410 H VAL 55 H VAL 55 -0.952 1.194 -3.868 411 HA VAL 55 HA VAL 55 0.591 1.128 -6.341 412 HB VAL 55 HB VAL 55 1.923 2.859 -4.336 413 1HG1 VAL 55 1HG1 VAL 55 0.778 4.936 -4.778 414 2HG1 VAL 55 2HG1 VAL 55 -0.436 4.154 -5.777 415 3HG1 VAL 55 3HG1 VAL 55 -0.356 3.820 -4.030 416 1HG2 VAL 55 1HG2 VAL 55 2.752 2.432 -6.644 417 2HG2 VAL 55 2HG2 VAL 55 1.293 3.204 -7.302 418 3HG2 VAL 55 3HG2 VAL 55 2.443 4.155 -6.351 419 H LYS 56 HN LYS 56 2.716 0.325 -6.046 420 HA LYS 56 HA LYS 56 3.083 -1.300 -3.574 421 1HB LYS 56 2HB LYS 56 3.651 -1.928 -6.486 422 2HB LYS 56 1HB LYS 56 3.942 -3.000 -5.099 423 1HG LYS 56 1HG LYS 56 1.510 -2.810 -4.497 424 2HG LYS 56 2HG LYS 56 1.228 -1.988 -6.037 425 1HD LYS 56 2HD LYS 56 2.536 -4.723 -5.787 426 2HD LYS 56 1HD LYS 56 0.789 -4.471 -5.979 427 1HE LYS 56 2HE LYS 56 1.226 -3.183 -8.105 428 2HE LYS 56 1HE LYS 56 2.946 -3.560 -7.951 429 1HZ LYS 56 1HZ LYS 56 0.776 -5.518 -8.226 430 2HZ LYS 56 2HZ LYS 56 1.835 -5.069 -9.404 431 3HZ LYS 56 3HZ LYS 56 2.378 -5.883 -8.077 432 H LEU 57 H LEU 57 4.766 -0.602 -2.455 433 HA LEU 57 HA LEU 57 6.877 1.020 -3.816 434 1HB LEU 57 1HB LEU 57 5.875 1.955 -1.753 435 2HB LEU 57 2HB LEU 57 6.487 0.556 -0.860 436 HG LEU 57 HG LEU 57 8.810 1.450 -2.117 437 1HD1 LEU 57 1HD2 LEU 57 9.298 2.556 0.064 438 2HD1 LEU 57 2HD2 LEU 57 7.589 2.356 0.484 439 3HD1 LEU 57 3HD2 LEU 57 8.627 0.920 0.213 440 1HD2 LEU 57 1HD1 LEU 57 8.898 3.882 -1.901 441 2HD2 LEU 57 2HD1 LEU 57 7.672 3.430 -3.094 442 3HD2 LEU 57 3HD1 LEU 57 7.182 3.933 -1.463 443 H ASN 58 H ASN 58 8.708 0.116 -4.465 444 HA ASN 58 HA ASN 58 9.342 -2.625 -3.626 445 1HB ASN 58 1HB ASN 58 9.816 -1.800 -5.924 446 2HB ASN 58 2HB ASN 58 11.037 -0.707 -5.259 447 1HD2 ASN 58 2HD2 ASN 58 10.636 -3.760 -6.620 448 2HD2 ASN 58 1HD2 ASN 58 12.096 -4.500 -5.986 449 H THR 59 H THR 59 10.002 -2.964 -1.682 450 HA THR 59 HA THR 59 11.087 -1.009 0.112 451 HB THR 59 HB THR 59 11.066 -4.046 0.366 452 HG1 THR 59 HG1 THR 59 9.012 -3.411 -0.109 453 1HG2 THR 59 1HG2 THR 59 12.331 -2.854 2.161 454 2HG2 THR 59 2HG2 THR 59 10.840 -3.587 2.775 455 3HG2 THR 59 3HG2 THR 59 10.900 -1.844 2.463 456 H ASP 60 HN ASP 60 12.502 -3.447 -1.997 457 HA ASP 60 HA ASP 60 15.096 -3.646 -0.775 458 1HB ASP 60 1HB ASP 60 13.770 -5.167 -2.482 459 2HB ASP 60 2HB ASP 60 14.480 -4.126 -3.712 460 H GLU 61 HN GLU 61 13.612 -1.753 -3.322 461 HA GLU 61 HA GLU 61 15.962 -0.131 -3.930 462 1HB GLU 61 2HB GLU 61 14.001 -0.923 -5.498 463 2HB GLU 61 1HB GLU 61 13.093 0.405 -4.759 464 1HG GLU 61 2HG GLU 61 14.000 1.265 -6.772 465 2HG GLU 61 1HG GLU 61 15.031 1.942 -5.510 466 H SER 62 H SER 62 13.239 0.007 -1.715 467 HA SER 62 HA SER 62 13.809 2.842 -1.032 468 1HB SER 62 1HB SER 62 11.227 1.312 -0.624 469 2HB SER 62 2HB SER 62 11.533 3.042 -0.479 470 HG SER 62 HG SER 62 11.414 1.384 -2.748 471 HA PRO 63 HA PRO 63 14.456 0.088 2.797 472 1HB PRO 63 1HB PRO 63 17.127 0.600 3.213 473 2HB PRO 63 2HB PRO 63 16.513 -0.777 2.246 474 1HG PRO 63 1HG PRO 63 17.513 1.902 1.259 475 2HG PRO 63 2HG PRO 63 17.898 0.278 0.616 476 1HD PRO 63 1HD PRO 63 16.010 1.867 -0.527 477 2HD PRO 63 2HD PRO 63 15.734 0.102 -0.417 478 H ASN 64 H ASN 64 15.388 3.235 1.619 479 HA ASN 64 HA ASN 64 15.905 4.682 4.007 480 1HB ASN 64 2HB ASN 64 14.565 5.545 1.418 481 2HB ASN 64 1HB ASN 64 14.997 6.631 2.723 482 1HD2 ASN 64 1HD2 ASN 64 16.001 5.396 -0.240 483 2HD2 ASN 64 2HD2 ASN 64 17.722 5.693 -0.069 484 H VAL 65 H VAL 65 12.845 4.998 2.207 485 HA VAL 65 HA VAL 65 11.334 6.054 4.303 486 HB VAL 65 HB VAL 65 10.675 4.504 1.766 487 1HG1 VAL 65 1HG2 VAL 65 8.373 5.384 1.976 488 2HG1 VAL 65 2HG2 VAL 65 8.761 4.199 3.227 489 3HG1 VAL 65 3HG2 VAL 65 8.768 5.933 3.630 490 1HG2 VAL 65 1HG1 VAL 65 10.442 7.456 2.533 491 2HG2 VAL 65 2HG1 VAL 65 10.154 6.753 0.925 492 3HG2 VAL 65 3HG1 VAL 65 11.787 6.781 1.611 493 H ALA 66 H ALA 66 11.764 2.711 3.305 494 HA ALA 66 HA ALA 66 9.917 1.474 5.084 495 1HB ALA 66 1HB ALA 66 12.581 0.367 4.105 496 2HB ALA 66 2HB ALA 66 11.216 -0.576 4.732 497 3HB ALA 66 3HB ALA 66 11.046 0.325 3.207 498 H SER 67 H SER 67 13.401 2.249 5.641 499 HA SER 67 HA SER 67 13.376 1.186 8.333 500 1HB SER 67 1HB SER 67 15.581 2.244 8.531 501 2HB SER 67 2HB SER 67 15.448 1.274 7.054 502 HG SER 67 HG SER 67 15.047 3.246 5.916 503 H GLU 68 HN GLU 68 12.990 4.422 6.917 504 HA GLU 68 HA GLU 68 12.855 5.937 9.308 505 1HB GLU 68 2HB GLU 68 11.398 6.272 6.655 506 2HB GLU 68 1HB GLU 68 11.339 7.461 7.953 507 1HG GLU 68 2HG GLU 68 13.704 7.877 7.837 508 2HG GLU 68 1HG GLU 68 13.981 6.506 6.763 509 H TYR 69 H TYR 69 10.263 4.127 7.602 510 HA TYR 69 HA TYR 69 8.294 4.714 9.682 511 1HB TYR 69 2HB TYR 69 8.431 2.882 7.266 512 2HB TYR 69 1HB TYR 69 7.141 2.694 8.432 513 HD1 TYR 69 HD1 TYR 69 7.833 4.204 5.394 514 HD2 TYR 69 HD2 TYR 69 5.949 5.009 9.181 515 HE1 TYR 69 HE1 TYR 69 6.609 6.110 4.384 516 HE2 TYR 69 HE2 TYR 69 4.766 6.946 8.177 517 HH TYR 69 HH TYR 69 5.406 8.036 4.850 518 H GLY 70 H GLY 70 10.586 2.090 9.036 519 1HA GLY 70 2HA GLY 70 11.593 0.772 10.696 520 2HA GLY 70 1HA GLY 70 10.321 1.191 11.851 521 H ILE 71 H ILE 71 10.233 -0.115 8.509 522 HA ILE 71 HA ILE 71 8.161 -2.026 9.199 523 HB ILE 71 HB ILE 71 9.883 -1.650 6.720 524 1HG1 ILE 71 2HG1 ILE 71 7.023 -0.844 7.489 525 2HG1 ILE 71 1HG1 ILE 71 8.403 0.246 7.289 526 1HG2 ILE 71 1HG2 ILE 71 9.033 -3.997 6.847 527 2HG2 ILE 71 2HG2 ILE 71 8.257 -3.091 5.562 528 3HG2 ILE 71 3HG2 ILE 71 7.389 -3.368 7.084 529 1HD1 ILE 71 1HD1 ILE 71 6.954 -1.295 5.133 530 2HD1 ILE 71 2HD1 ILE 71 8.578 -0.590 4.899 531 3HD1 ILE 71 3HD1 ILE 71 7.201 0.448 5.325 532 H ARG 72 HN ARG 72 8.551 -3.773 10.419 533 HA ARG 72 HA ARG 72 11.203 -4.889 10.659 534 1HB ARG 72 2HB ARG 72 10.332 -6.284 12.282 535 2HB ARG 72 1HB ARG 72 9.553 -4.732 12.543 536 1HG ARG 72 2HG ARG 72 8.079 -6.912 10.994 537 2HG ARG 72 1HG ARG 72 8.323 -7.073 12.705 538 1HD ARG 72 1HD ARG 72 6.144 -6.149 12.355 539 2HD ARG 72 2HD ARG 72 7.177 -5.027 13.231 540 HE ARG 72 HE ARG 72 6.745 -3.484 11.652 541 1HH1 ARG 72 1HH1 ARG 72 6.290 -6.638 10.083 542 2HH1 ARG 72 2HH1 ARG 72 5.900 -5.923 8.528 543 1HH2 ARG 72 1HH2 ARG 72 5.884 -2.614 9.711 544 2HH2 ARG 72 2HH2 ARG 72 5.470 -3.695 8.395 545 H SER 73 H SER 73 8.339 -5.680 8.720 546 HA SER 73 HA SER 73 9.867 -7.575 7.154 547 1HB SER 73 1HB SER 73 7.366 -8.620 8.559 548 2HB SER 73 2HB SER 73 8.483 -9.519 7.527 549 HG SER 73 HG SER 73 10.049 -8.696 9.344 550 H ILE 74 H ILE 74 8.519 -8.296 5.252 551 HA ILE 74 HA ILE 74 6.285 -6.461 4.677 552 HB ILE 74 HB ILE 74 7.071 -6.548 2.281 553 1HG1 ILE 74 1HG1 ILE 74 9.737 -7.379 3.454 554 2HG1 ILE 74 2HG1 ILE 74 8.667 -8.410 2.483 555 1HG2 ILE 74 1HG2 ILE 74 8.518 -4.612 2.596 556 2HG2 ILE 74 2HG2 ILE 74 8.923 -5.126 4.247 557 3HG2 ILE 74 3HG2 ILE 74 7.279 -4.581 3.844 558 1HD1 ILE 74 1HD1 ILE 74 8.734 -6.585 0.689 559 2HD1 ILE 74 2HD1 ILE 74 10.100 -5.889 1.592 560 3HD1 ILE 74 3HD1 ILE 74 10.206 -7.520 0.922 561 HA PRO 75 HA PRO 75 4.784 -6.704 2.482 562 1HB PRO 75 2HB PRO 75 2.116 -7.325 2.688 563 2HB PRO 75 1HB PRO 75 3.190 -7.910 1.411 564 1HG PRO 75 1HG PRO 75 2.462 -9.325 4.006 565 2HG PRO 75 2HG PRO 75 2.396 -10.007 2.350 566 1HD PRO 75 2HD PRO 75 4.452 -10.415 4.108 567 2HD PRO 75 1HD PRO 75 4.811 -10.204 2.383 568 H THR 76 H THR 76 3.877 -4.907 3.203 569 HA THR 76 HA THR 76 2.555 -4.675 5.797 570 HB THR 76 HB THR 76 5.169 -3.242 5.168 571 HG1 THR 76 HG1 THR 76 5.483 -5.103 6.395 572 1HG2 THR 76 1HG2 THR 76 3.092 -2.602 7.309 573 2HG2 THR 76 2HG2 THR 76 4.721 -1.900 7.214 574 3HG2 THR 76 3HG2 THR 76 3.544 -1.547 5.948 575 H ILE 77 H ILE 77 0.725 -3.646 5.190 576 HA ILE 77 HA ILE 77 0.727 -2.044 2.677 577 HB ILE 77 HB ILE 77 -1.480 -3.521 4.150 578 1HG1 ILE 77 1HG1 ILE 77 -0.324 -3.956 1.359 579 2HG1 ILE 77 2HG1 ILE 77 0.162 -4.892 2.776 580 1HG2 ILE 77 1HG2 ILE 77 -1.537 -1.737 1.680 581 2HG2 ILE 77 2HG2 ILE 77 -2.895 -2.762 2.198 582 3HG2 ILE 77 3HG2 ILE 77 -2.371 -1.430 3.214 583 1HD1 ILE 77 1HD1 ILE 77 -2.613 -4.854 1.542 584 2HD1 ILE 77 2HD1 ILE 77 -2.201 -5.631 3.091 585 3HD1 ILE 77 3HD1 ILE 77 -1.445 -6.180 1.583 586 H MET 78 H MET 78 0.674 0.103 2.983 587 HA MET 78 HA MET 78 -0.335 1.216 5.573 588 1HB MET 78 2HB MET 78 1.380 2.553 3.484 589 2HB MET 78 1HB MET 78 0.918 3.190 5.061 590 1HG MET 78 2HG MET 78 2.119 1.160 6.067 591 2HG MET 78 1HG MET 78 2.808 0.901 4.471 592 1HE MET 78 1HE MET 78 4.535 1.392 7.319 593 2HE MET 78 2HE MET 78 4.946 0.771 5.701 594 3HE MET 78 3HE MET 78 5.858 2.133 6.388 595 H VAL 79 H VAL 79 -1.572 3.157 5.405 596 HA VAL 79 HA VAL 79 -2.974 3.604 2.802 597 HB VAL 79 HB VAL 79 -4.205 3.549 5.574 598 1HG1 VAL 79 1HG1 VAL 79 -4.721 1.836 3.102 599 2HG1 VAL 79 2HG1 VAL 79 -5.662 1.778 4.608 600 3HG1 VAL 79 3HG1 VAL 79 -3.961 1.292 4.613 601 1HG2 VAL 79 1HG2 VAL 79 -5.145 5.424 4.263 602 2HG2 VAL 79 2HG2 VAL 79 -6.328 4.126 4.399 603 3HG2 VAL 79 3HG2 VAL 79 -5.418 4.345 2.887 604 H PHE 80 H PHE 80 -2.911 5.701 2.227 605 HA PHE 80 HA PHE 80 -2.027 7.788 4.169 606 1HB PHE 80 1HB PHE 80 -1.390 7.437 1.222 607 2HB PHE 80 2HB PHE 80 -1.112 8.923 2.118 608 HD1 PHE 80 HD1 PHE 80 -0.108 5.327 1.894 609 HD2 PHE 80 HD2 PHE 80 0.766 9.200 3.578 610 HE1 PHE 80 HE1 PHE 80 2.104 4.505 2.670 611 HE2 PHE 80 HE2 PHE 80 2.931 8.364 4.394 612 HZ PHE 80 HZ PHE 80 3.559 5.960 4.041 613 H LYS 81 HN LYS 81 -3.080 9.751 4.036 614 HA LYS 81 HA LYS 81 -5.336 10.059 2.133 615 1HB LYS 81 1HB LYS 81 -7.015 10.262 3.731 616 2HB LYS 81 2HB LYS 81 -6.159 8.783 4.134 617 1HG LYS 81 2HG LYS 81 -6.339 11.383 5.626 618 2HG LYS 81 1HG LYS 81 -6.629 9.741 6.190 619 1HD LYS 81 1HD LYS 81 -4.151 9.299 6.013 620 2HD LYS 81 2HD LYS 81 -3.913 11.013 5.618 621 1HE LYS 81 1HE LYS 81 -5.125 9.958 8.208 622 2HE LYS 81 2HE LYS 81 -3.500 10.627 7.997 623 1HZ LYS 81 1HZ LYS 81 -4.490 12.694 7.335 624 2HZ LYS 81 2HZ LYS 81 -6.001 12.093 7.600 625 3HZ LYS 81 3HZ LYS 81 -4.951 12.258 8.857 626 H GLY 82 H GLY 82 -3.117 11.349 1.762 627 1HA GLY 82 2HA GLY 82 -2.777 13.652 1.205 628 2HA GLY 82 1HA GLY 82 -3.799 14.112 2.584 629 H GLY 83 H GLY 83 -0.559 12.993 1.653 630 1HA GLY 83 2HA GLY 83 1.447 13.230 2.690 631 2HA GLY 83 1HA GLY 83 0.693 14.349 3.819 632 H LYS 84 HN LYS 84 -0.817 13.116 5.424 633 HA LYS 84 HA LYS 84 0.957 11.331 6.940 634 1HB LYS 84 1HB LYS 84 -1.818 12.392 7.600 635 2HB LYS 84 2HB LYS 84 -0.684 11.657 8.738 636 1HG LYS 84 2HG LYS 84 -0.299 14.312 7.265 637 2HG LYS 84 1HG LYS 84 -0.740 14.090 8.961 638 1HD LYS 84 1HD LYS 84 1.442 12.893 9.343 639 2HD LYS 84 2HD LYS 84 1.901 13.269 7.666 640 1HE LYS 84 1HE LYS 84 1.666 15.695 8.139 641 2HE LYS 84 2HE LYS 84 1.232 15.325 9.820 642 1HZ LYS 84 1HZ LYS 84 3.376 14.311 10.083 643 2HZ LYS 84 2HZ LYS 84 3.779 14.656 8.522 644 3HZ LYS 84 3HZ LYS 84 3.529 15.878 9.598 645 H LYS 85 HN LYS 85 0.059 9.460 8.067 646 HA LYS 85 HA LYS 85 -1.240 7.647 6.151 647 1HB LYS 85 1HB LYS 85 0.128 7.131 8.817 648 2HB LYS 85 2HB LYS 85 -0.597 5.902 7.759 649 1HG LYS 85 2HG LYS 85 0.928 6.816 5.909 650 2HG LYS 85 1HG LYS 85 1.853 7.607 7.199 651 1HD LYS 85 2HD LYS 85 1.280 4.636 6.788 652 2HD LYS 85 1HD LYS 85 2.847 5.446 6.673 653 1HE LYS 85 2HE LYS 85 2.716 5.937 9.140 654 2HE LYS 85 1HE LYS 85 1.177 5.049 9.204 655 1HZ LYS 85 1HZ LYS 85 2.289 3.110 8.464 656 2HZ LYS 85 2HZ LYS 85 3.734 3.899 8.357 657 3HZ LYS 85 3HZ LYS 85 3.020 3.682 9.830 658 H CYS 86 H CYS 86 -2.979 6.375 6.702 659 HA CYS 86 HA CYS 86 -4.890 7.486 8.710 660 1HB CYS 86 2HB CYS 86 -5.645 6.971 6.341 661 2HB CYS 86 1HB CYS 86 -5.337 5.263 6.666 662 HG CYS 86 HG CYS 86 -6.754 5.276 8.966 663 H GLU 87 HN GLU 87 -3.455 4.422 7.580 664 HA GLU 87 HA GLU 87 -2.897 3.454 10.242 665 1HB GLU 87 1HB GLU 87 -4.338 1.496 10.152 666 2HB GLU 87 2HB GLU 87 -5.310 2.948 10.112 667 1HG GLU 87 1HG GLU 87 -6.284 2.348 8.184 668 2HG GLU 87 2HG GLU 87 -4.778 2.306 7.351 669 H THR 88 H THR 88 -2.274 0.913 9.878 670 HA THR 88 HA THR 88 -1.117 0.292 7.330 671 HB THR 88 HB THR 88 0.593 1.052 9.750 672 HG1 THR 88 HG1 THR 88 -0.085 2.437 7.725 673 1HG2 THR 88 1HG2 THR 88 1.402 -0.575 7.304 674 2HG2 THR 88 2HG2 THR 88 1.552 -1.034 9.012 675 3HG2 THR 88 3HG2 THR 88 2.561 0.262 8.365 676 H ILE 89 H ILE 89 -0.732 -1.961 7.208 677 HA ILE 89 HA ILE 89 -1.069 -3.561 9.693 678 HB ILE 89 HB ILE 89 -2.613 -5.079 8.510 679 1HG1 ILE 89 1HG1 ILE 89 -2.578 -2.985 6.281 680 2HG1 ILE 89 2HG1 ILE 89 -2.037 -4.672 6.184 681 1HG2 ILE 89 1HG2 ILE 89 -3.394 -3.100 9.932 682 2HG2 ILE 89 2HG2 ILE 89 -4.563 -3.825 8.832 683 3HG2 ILE 89 3HG2 ILE 89 -3.784 -2.283 8.394 684 1HD1 ILE 89 1HD1 ILE 89 -4.888 -3.680 6.530 685 2HD1 ILE 89 2HD1 ILE 89 -4.181 -4.514 5.143 686 3HD1 ILE 89 3HD1 ILE 89 -4.401 -5.389 6.674 687 H ILE 90 H ILE 90 -0.224 -5.706 9.484 688 HA ILE 90 HA ILE 90 1.993 -5.951 7.543 689 HB ILE 90 HB ILE 90 1.040 -7.812 9.760 690 1HG1 ILE 90 2HG1 ILE 90 3.308 -5.761 9.652 691 2HG1 ILE 90 1HG1 ILE 90 1.852 -5.659 10.649 692 1HG2 ILE 90 1HG2 ILE 90 3.630 -7.809 8.135 693 2HG2 ILE 90 2HG2 ILE 90 3.191 -8.961 9.414 694 3HG2 ILE 90 3HG2 ILE 90 2.293 -8.956 7.909 695 1HD1 ILE 90 1HD1 ILE 90 4.118 -7.648 10.982 696 2HD1 ILE 90 2HD1 ILE 90 2.556 -7.760 11.833 697 3HD1 ILE 90 3HD1 ILE 90 3.611 -6.354 12.075 698 H GLY 91 H GLY 91 1.848 -7.492 5.811 699 1HA GLY 91 2HA GLY 91 -0.924 -8.144 5.001 700 2HA GLY 91 1HA GLY 91 0.520 -8.377 4.044 701 H ALA 92 H ALA 92 0.469 -10.618 3.593 702 HA ALA 92 HA ALA 92 0.204 -12.862 3.865 703 1HB ALA 92 1HB ALA 92 2.383 -12.436 4.987 704 2HB ALA 92 2HB ALA 92 1.528 -13.833 5.665 705 3HB ALA 92 3HB ALA 92 1.546 -12.297 6.549 706 H VAL 93 H VAL 93 -2.175 -11.539 4.380 707 HA VAL 93 HA VAL 93 -3.486 -13.382 6.249 708 HB VAL 93 HB VAL 93 -4.979 -11.511 7.001 709 1HG1 VAL 93 1HG2 VAL 93 -4.377 -9.823 5.270 710 2HG1 VAL 93 2HG2 VAL 93 -4.204 -9.205 6.918 711 3HG1 VAL 93 3HG2 VAL 93 -2.766 -9.668 5.996 712 1HG2 VAL 93 1HG1 VAL 93 -2.076 -11.257 7.875 713 2HG2 VAL 93 2HG1 VAL 93 -3.507 -10.732 8.777 714 3HG2 VAL 93 3HG1 VAL 93 -3.240 -12.457 8.468 715 HA PRO 94 HA PRO 94 -6.017 -13.806 2.682 716 1HB PRO 94 2HB PRO 94 -8.443 -13.704 4.456 717 2HB PRO 94 1HB PRO 94 -8.047 -14.901 3.200 718 1HG PRO 94 1HG PRO 94 -7.675 -15.513 5.833 719 2HG PRO 94 2HG PRO 94 -6.443 -15.972 4.620 720 1HD PRO 94 1HD PRO 94 -6.385 -13.635 6.535 721 2HD PRO 94 2HD PRO 94 -5.096 -14.768 6.064 722 H LYS 95 HN LYS 95 -7.288 -12.653 1.252 723 HA LYS 95 HA LYS 95 -7.380 -9.925 1.256 724 1HB LYS 95 1HB LYS 95 -8.958 -10.120 -0.564 725 2HB LYS 95 2HB LYS 95 -7.648 -11.291 -0.724 726 1HG LYS 95 2HG LYS 95 -9.244 -12.721 -1.293 727 2HG LYS 95 1HG LYS 95 -9.509 -12.904 0.419 728 1HD LYS 95 2HD LYS 95 -11.621 -12.609 -0.759 729 2HD LYS 95 1HD LYS 95 -11.383 -11.216 0.289 730 1HE LYS 95 2HE LYS 95 -12.305 -10.676 -1.970 731 2HE LYS 95 1HE LYS 95 -10.840 -9.782 -1.594 732 1HZ LYS 95 1HZ LYS 95 -10.991 -12.196 -3.263 733 2HZ LYS 95 2HZ LYS 95 -9.615 -11.355 -2.918 734 3HZ LYS 95 3HZ LYS 95 -10.805 -10.652 -3.809 735 H ALA 96 H ALA 96 -9.978 -12.113 2.254 736 HA ALA 96 HA ALA 96 -12.031 -10.326 2.829 737 1HB ALA 96 1HB ALA 96 -11.193 -12.758 4.476 738 2HB ALA 96 2HB ALA 96 -12.784 -11.969 4.518 739 3HB ALA 96 3HB ALA 96 -12.237 -12.779 3.036 740 H THR 97 H THR 97 -9.178 -11.081 4.894 741 HA THR 97 HA THR 97 -9.999 -9.573 7.165 742 HB THR 97 HB THR 97 -7.071 -9.870 6.496 743 HG1 THR 97 HG1 THR 97 -7.590 -11.748 5.695 744 1HG2 THR 97 1HG2 THR 97 -8.756 -10.707 8.900 745 2HG2 THR 97 2HG2 THR 97 -6.985 -10.703 8.796 746 3HG2 THR 97 3HG2 THR 97 -7.874 -9.166 8.754 747 H ILE 98 H ILE 98 -7.959 -8.893 4.331 748 HA ILE 98 HA ILE 98 -7.163 -6.239 5.040 749 HB ILE 98 HB ILE 98 -7.375 -7.637 2.312 750 1HG1 ILE 98 1HG1 ILE 98 -5.044 -7.287 4.244 751 2HG1 ILE 98 2HG1 ILE 98 -5.917 -8.788 3.905 752 1HG2 ILE 98 1HG2 ILE 98 -7.289 -5.101 2.159 753 2HG2 ILE 98 2HG2 ILE 98 -5.828 -5.125 3.158 754 3HG2 ILE 98 3HG2 ILE 98 -5.826 -5.854 1.541 755 1HD1 ILE 98 1HD1 ILE 98 -3.899 -8.874 2.669 756 2HD1 ILE 98 2HD1 ILE 98 -4.155 -7.275 1.959 757 3HD1 ILE 98 3HD1 ILE 98 -5.216 -8.631 1.506 758 H VAL 99 H VAL 99 -9.826 -7.427 2.903 759 HA VAL 99 HA VAL 99 -10.978 -4.943 2.264 760 HB VAL 99 HB VAL 99 -12.231 -7.705 2.634 761 1HG1 VAL 99 1HG2 VAL 99 -14.117 -6.814 1.247 762 2HG1 VAL 99 2HG2 VAL 99 -14.052 -6.075 2.846 763 3HG1 VAL 99 3HG2 VAL 99 -13.451 -5.180 1.432 764 1HG2 VAL 99 1HG1 VAL 99 -10.557 -7.495 0.788 765 2HG2 VAL 99 2HG1 VAL 99 -12.193 -7.746 0.172 766 3HG2 VAL 99 3HG1 VAL 99 -11.477 -6.123 0.138 767 H GLN 100 H GLN 100 -11.964 -7.191 4.938 768 HA GLN 100 HA GLN 100 -13.872 -5.517 6.143 769 1HB GLN 100 2HB GLN 100 -11.958 -7.590 7.275 770 2HB GLN 100 1HB GLN 100 -13.168 -6.776 8.280 771 1HG GLN 100 1HG GLN 100 -14.988 -7.543 6.957 772 2HG GLN 100 2HG GLN 100 -13.937 -8.213 5.706 773 1HE2 GLN 100 1HE2 GLN 100 -12.293 -9.831 6.531 774 2HE2 GLN 100 2HE2 GLN 100 -12.876 -11.044 7.687 775 H THR 101 H THR 101 -10.338 -5.582 6.647 776 HA THR 101 HA THR 101 -10.301 -3.565 8.671 777 HB THR 101 HB THR 101 -8.159 -4.246 6.599 778 HG1 THR 101 HG1 THR 101 -8.760 -6.019 7.854 779 1HG2 THR 101 1HG2 THR 101 -6.628 -3.391 8.343 780 2HG2 THR 101 2HG2 THR 101 -8.014 -2.804 9.273 781 3HG2 THR 101 3HG2 THR 101 -7.643 -2.124 7.658 782 H VAL 102 H VAL 102 -9.724 -3.211 5.106 783 HA VAL 102 HA VAL 102 -9.437 -0.411 5.073 784 HB VAL 102 HB VAL 102 -10.509 -2.293 2.973 785 1HG1 VAL 102 1HG1 VAL 102 -8.263 -2.287 2.074 786 2HG1 VAL 102 2HG1 VAL 102 -7.746 -1.046 3.241 787 3HG1 VAL 102 3HG1 VAL 102 -8.116 -2.682 3.791 788 1HG2 VAL 102 1HG2 VAL 102 -9.562 0.596 2.704 789 2HG2 VAL 102 2HG2 VAL 102 -9.712 -0.514 1.334 790 3HG2 VAL 102 3HG2 VAL 102 -11.152 -0.073 2.252 791 H GLU 103 HN GLU 103 -12.402 -2.345 4.720 792 HA GLU 103 HA GLU 103 -14.314 -0.513 4.010 793 1HB GLU 103 1HB GLU 103 -14.399 -2.774 6.047 794 2HB GLU 103 2HB GLU 103 -15.839 -1.937 5.503 795 1HG GLU 103 2HG GLU 103 -14.047 -2.965 3.324 796 2HG GLU 103 1HG GLU 103 -14.845 -4.187 4.326 797 H LYS 104 HN LYS 104 -12.949 -0.901 7.251 798 HA LYS 104 HA LYS 104 -14.744 0.775 8.714 799 1HB LYS 104 2HB LYS 104 -13.111 -0.714 9.774 800 2HB LYS 104 1HB LYS 104 -11.773 0.184 9.023 801 1HG LYS 104 2HG LYS 104 -12.527 2.242 10.336 802 2HG LYS 104 1HG LYS 104 -13.588 1.156 11.237 803 1HD LYS 104 1HD LYS 104 -10.547 1.121 10.974 804 2HD LYS 104 2HD LYS 104 -11.484 1.566 12.392 805 1HE LYS 104 1HE LYS 104 -10.778 -0.580 12.949 806 2HE LYS 104 2HE LYS 104 -12.390 -0.910 12.297 807 1HZ LYS 104 1HZ LYS 104 -10.720 -2.402 11.454 808 2HZ LYS 104 2HZ LYS 104 -11.294 -1.490 10.211 809 3HZ LYS 104 3HZ LYS 104 -9.824 -1.152 10.865 810 H TYR 105 H TYR 105 -11.752 1.424 6.935 811 HA TYR 105 HA TYR 105 -11.595 4.231 7.779 812 1HB TYR 105 1HB TYR 105 -9.897 2.512 5.912 813 2HB TYR 105 2HB TYR 105 -9.453 4.093 6.517 814 HD1 TYR 105 HD1 TYR 105 -9.339 4.359 9.116 815 HD2 TYR 105 HD2 TYR 105 -9.300 0.573 7.086 816 HE1 TYR 105 HE1 TYR 105 -8.045 3.356 11.007 817 HE2 TYR 105 HE2 TYR 105 -8.244 -0.470 9.063 818 HH TYR 105 HH TYR 105 -6.637 0.156 10.681 819 H LEU 106 H LEU 106 -11.668 2.462 4.689 820 HA LEU 106 HA LEU 106 -12.496 4.888 3.181 821 1HB LEU 106 2HB LEU 106 -11.510 2.110 2.518 822 2HB LEU 106 1HB LEU 106 -12.224 3.124 1.278 823 HG LEU 106 HG LEU 106 -9.689 3.072 1.523 824 1HD1 LEU 106 1HD2 LEU 106 -9.390 3.440 3.889 825 2HD1 LEU 106 2HD2 LEU 106 -8.589 4.687 2.930 826 3HD1 LEU 106 3HD2 LEU 106 -10.105 5.072 3.753 827 1HD2 LEU 106 1HD1 LEU 106 -10.990 4.656 0.110 828 2HD2 LEU 106 2HD1 LEU 106 -9.511 5.397 0.743 829 3HD2 LEU 106 3HD1 LEU 106 -11.081 5.790 1.467 830 H ASN 107 H ASN 107 -14.396 4.675 4.734 831 HA ASN 107 HA ASN 107 -16.395 2.642 3.982 832 1HB ASN 107 1HB ASN 107 -15.893 3.617 6.375 833 2HB ASN 107 2HB ASN 107 -16.849 5.005 5.838 834 1HD2 ASN 107 1HD2 ASN 107 -16.863 1.424 5.999 835 2HD2 ASN 107 2HD2 ASN 107 -18.595 1.265 6.329 Start of MODEL 13 1 1H MET 1 1H MET 1 -1.158 -3.372 -11.374 2 2H MET 1 2H MET 1 -0.343 -2.013 -11.023 3 3H MET 1 3H MET 1 0.365 -3.161 -11.992 4 HA MET 1 HA MET 1 -0.363 -1.201 -13.187 5 1HB MET 1 1HB MET 1 -1.591 -2.273 -14.979 6 2HB MET 1 2HB MET 1 -0.204 -3.225 -14.461 7 1HG MET 1 1HG MET 1 -3.103 -3.848 -13.775 8 2HG MET 1 2HG MET 1 -2.163 -4.581 -15.061 9 1HE MET 1 1HE MET 1 -3.789 -5.787 -12.341 10 2HE MET 1 2HE MET 1 -3.308 -6.802 -13.723 11 3HE MET 1 3HE MET 1 -2.791 -7.233 -12.076 12 H GLU 2 HN GLU 2 -3.161 -2.973 -11.693 13 HA GLU 2 HA GLU 2 -4.978 -0.713 -12.127 14 1HB GLU 2 2HB GLU 2 -5.116 -3.088 -10.216 15 2HB GLU 2 1HB GLU 2 -6.413 -1.933 -10.529 16 1HG GLU 2 1HG GLU 2 -6.584 -2.651 -12.853 17 2HG GLU 2 2HG GLU 2 -5.214 -3.753 -12.660 18 H ALA 3 H ALA 3 -3.006 -2.174 -9.589 19 HA ALA 3 HA ALA 3 -3.096 0.262 -7.895 20 1HB ALA 3 1HB ALA 3 -1.731 -2.444 -7.558 21 2HB ALA 3 2HB ALA 3 -3.201 -1.886 -6.723 22 3HB ALA 3 3HB ALA 3 -1.639 -1.106 -6.392 23 H GLY 4 H GLY 4 -1.213 1.616 -7.797 24 1HA GLY 4 1HA GLY 4 0.491 1.486 -10.189 25 2HA GLY 4 2HA GLY 4 0.515 2.714 -8.921 26 H ALA 5 H ALA 5 2.925 2.017 -9.751 27 HA ALA 5 HA ALA 5 4.063 0.246 -7.634 28 1HB ALA 5 1HB ALA 5 5.924 -0.185 -9.187 29 2HB ALA 5 2HB ALA 5 5.089 0.724 -10.465 30 3HB ALA 5 3HB ALA 5 4.390 -0.790 -9.846 31 H VAL 6 H VAL 6 5.533 1.397 -6.337 32 HA VAL 6 HA VAL 6 6.394 4.078 -7.295 33 HB VAL 6 HB VAL 6 6.009 4.833 -4.831 34 1HG1 VAL 6 1HG1 VAL 6 4.076 3.887 -3.702 35 2HG1 VAL 6 2HG1 VAL 6 5.329 2.664 -3.913 36 3HG1 VAL 6 3HG1 VAL 6 3.897 2.639 -4.949 37 1HG2 VAL 6 1HG2 VAL 6 3.718 4.541 -6.782 38 2HG2 VAL 6 2HG2 VAL 6 3.741 5.601 -5.350 39 3HG2 VAL 6 3HG2 VAL 6 4.886 5.873 -6.672 40 H ASN 7 H ASN 7 7.992 5.038 -5.969 41 HA ASN 7 HA ASN 7 9.840 3.324 -4.501 42 1HB ASN 7 1HB ASN 7 10.734 3.131 -6.762 43 2HB ASN 7 2HB ASN 7 10.506 4.868 -7.065 44 1HD2 ASN 7 2HD2 ASN 7 12.324 2.490 -5.153 45 2HD2 ASN 7 1HD2 ASN 7 13.718 3.485 -4.830 46 H ASP 8 HN ASP 8 11.541 4.932 -3.661 47 HA ASP 8 HA ASP 8 10.518 6.916 -2.046 48 1HB ASP 8 1HB ASP 8 12.865 5.976 -2.068 49 2HB ASP 8 2HB ASP 8 13.250 7.024 -3.426 50 H ASP 9 HN ASP 9 12.026 7.453 -5.206 51 HA ASP 9 HA ASP 9 11.652 10.194 -5.510 52 1HB ASP 9 1HB ASP 9 11.687 7.917 -7.536 53 2HB ASP 9 2HB ASP 9 11.633 9.621 -7.993 54 H THR 10 H THR 10 9.317 7.616 -6.589 55 HA THR 10 HA THR 10 7.457 9.636 -7.586 56 HB THR 10 HB THR 10 6.111 7.503 -8.028 57 HG1 THR 10 HG1 THR 10 7.561 5.638 -7.988 58 1HG2 THR 10 1HG2 THR 10 8.945 7.669 -9.164 59 2HG2 THR 10 2HG2 THR 10 7.545 8.595 -9.743 60 3HG2 THR 10 3HG2 THR 10 7.567 6.831 -9.903 61 H PHE 11 H PHE 11 7.838 7.682 -4.722 62 HA PHE 11 HA PHE 11 5.435 7.529 -3.463 63 1HB PHE 11 2HB PHE 11 7.723 6.815 -2.639 64 2HB PHE 11 1HB PHE 11 8.025 8.464 -2.151 65 HD1 PHE 11 HD1 PHE 11 7.124 9.356 -0.107 66 HD2 PHE 11 HD2 PHE 11 5.970 5.450 -1.518 67 HE1 PHE 11 HE1 PHE 11 6.317 8.765 2.164 68 HE2 PHE 11 HE2 PHE 11 5.078 4.903 0.739 69 HZ PHE 11 HZ PHE 11 5.277 6.559 2.585 70 H LYS 12 HN LYS 12 7.574 10.251 -3.616 71 HA LYS 12 HA LYS 12 6.306 12.187 -2.021 72 1HB LYS 12 1HB LYS 12 7.843 12.405 -4.647 73 2HB LYS 12 2HB LYS 12 7.327 13.784 -3.680 74 1HG LYS 12 2HG LYS 12 8.666 12.942 -1.755 75 2HG LYS 12 1HG LYS 12 9.025 11.447 -2.632 76 1HD LYS 12 2HD LYS 12 10.223 12.822 -4.388 77 2HD LYS 12 1HD LYS 12 9.981 14.241 -3.352 78 1HE LYS 12 2HE LYS 12 12.184 13.400 -2.866 79 2HE LYS 12 1HE LYS 12 11.168 12.956 -1.485 80 1HZ LYS 12 1HZ LYS 12 11.992 11.218 -3.708 81 2HZ LYS 12 2HZ LYS 12 10.957 10.746 -2.524 82 3HZ LYS 12 3HZ LYS 12 12.509 11.129 -2.148 83 H ASN 13 H ASN 13 5.970 11.982 -5.568 84 HA ASN 13 HA ASN 13 3.742 13.798 -5.783 85 1HB ASN 13 2HB ASN 13 5.135 11.765 -7.546 86 2HB ASN 13 1HB ASN 13 3.559 12.348 -8.032 87 1HD2 ASN 13 2HD2 ASN 13 5.498 14.756 -6.253 88 2HD2 ASN 13 1HD2 ASN 13 6.021 15.591 -7.699 89 H VAL 14 H VAL 14 3.995 10.322 -5.570 90 HA VAL 14 HA VAL 14 1.148 9.987 -6.298 91 HB VAL 14 HB VAL 14 3.349 7.989 -5.626 92 1HG1 VAL 14 1HG1 VAL 14 3.817 9.327 -7.695 93 2HG1 VAL 14 2HG1 VAL 14 3.426 7.652 -8.085 94 3HG1 VAL 14 3HG1 VAL 14 2.205 8.920 -8.304 95 1HG2 VAL 14 1HG2 VAL 14 1.875 6.382 -6.863 96 2HG2 VAL 14 2HG2 VAL 14 0.587 7.600 -6.848 97 3HG2 VAL 14 3HG2 VAL 14 1.187 6.909 -5.316 98 H VAL 15 H VAL 15 3.096 9.459 -3.359 99 HA VAL 15 HA VAL 15 0.678 8.536 -1.905 100 HB VAL 15 HB VAL 15 3.594 8.448 -1.025 101 1HG1 VAL 15 1HG1 VAL 15 2.790 6.827 0.578 102 2HG1 VAL 15 2HG1 VAL 15 1.958 8.362 0.786 103 3HG1 VAL 15 3HG1 VAL 15 1.123 7.018 -0.022 104 1HG2 VAL 15 1HG2 VAL 15 1.910 6.317 -2.401 105 2HG2 VAL 15 2HG2 VAL 15 3.322 7.116 -3.099 106 3HG2 VAL 15 3HG2 VAL 15 3.524 6.075 -1.696 107 H LEU 16 H LEU 16 3.445 10.864 -1.461 108 HA LEU 16 HA LEU 16 2.167 11.962 0.916 109 1HB LEU 16 1HB LEU 16 4.338 13.247 -0.777 110 2HB LEU 16 2HB LEU 16 3.837 13.702 0.844 111 HG LEU 16 HG LEU 16 5.156 11.066 0.057 112 1HD1 LEU 16 1HD1 LEU 16 7.061 11.934 1.321 113 2HD1 LEU 16 2HD1 LEU 16 6.155 13.406 1.738 114 3HD1 LEU 16 3HD1 LEU 16 6.628 13.101 0.058 115 1HD2 LEU 16 1HD2 LEU 16 4.204 12.116 2.758 116 2HD2 LEU 16 2HD2 LEU 16 3.688 10.613 1.949 117 3HD2 LEU 16 3HD2 LEU 16 5.333 10.771 2.576 118 H GLU 17 HN GLU 17 2.614 13.344 -2.379 119 HA GLU 17 HA GLU 17 0.756 15.543 -1.837 120 1HB GLU 17 1HB GLU 17 2.101 14.613 -4.397 121 2HB GLU 17 2HB GLU 17 1.307 16.169 -4.161 122 1HG GLU 17 1HG GLU 17 2.989 16.875 -2.558 123 2HG GLU 17 2HG GLU 17 3.744 15.279 -2.529 124 H SER 18 H SER 18 -0.727 13.377 -1.290 125 HA SER 18 HA SER 18 -2.120 12.355 -3.670 126 1HB SER 18 1HB SER 18 -3.270 11.038 -1.756 127 2HB SER 18 2HB SER 18 -1.559 10.717 -2.122 128 HG SER 18 HG SER 18 -1.004 11.465 -0.245 129 H SER 19 H SER 19 -4.376 12.412 -3.928 130 HA SER 19 HA SER 19 -5.816 14.744 -2.792 131 1HB SER 19 1HB SER 19 -7.348 14.111 -4.756 132 2HB SER 19 2HB SER 19 -5.733 14.717 -5.182 133 HG SER 19 HG SER 19 -6.181 12.809 -6.347 134 H VAL 20 H VAL 20 -6.648 11.528 -3.983 135 HA VAL 20 HA VAL 20 -8.569 11.001 -1.797 136 HB VAL 20 HB VAL 20 -8.632 8.689 -2.913 137 1HG1 VAL 20 1HG1 VAL 20 -7.202 10.036 -5.229 138 2HG1 VAL 20 2HG1 VAL 20 -7.786 8.370 -5.106 139 3HG1 VAL 20 3HG1 VAL 20 -6.423 8.896 -4.107 140 1HG2 VAL 20 1HG2 VAL 20 -9.453 11.109 -4.543 141 2HG2 VAL 20 2HG2 VAL 20 -10.000 9.444 -4.816 142 3HG2 VAL 20 3HG2 VAL 20 -10.408 10.259 -3.298 143 HA PRO 21 HA PRO 21 -5.635 8.928 0.832 144 1HB PRO 21 1HB PRO 21 -7.499 6.563 0.871 145 2HB PRO 21 2HB PRO 21 -6.704 7.356 2.256 146 1HG PRO 21 1HG PRO 21 -9.274 7.811 1.714 147 2HG PRO 21 2HG PRO 21 -8.232 9.199 2.144 148 1HD PRO 21 1HD PRO 21 -9.174 8.384 -0.633 149 2HD PRO 21 2HD PRO 21 -9.037 10.004 0.109 150 H VAL 22 H VAL 22 -4.263 6.993 0.869 151 HA VAL 22 HA VAL 22 -4.049 5.531 -1.718 152 HB VAL 22 HB VAL 22 -1.756 7.146 -0.532 153 1HG1 VAL 22 1HG1 VAL 22 -0.999 5.176 -1.711 154 2HG1 VAL 22 2HG1 VAL 22 -2.030 5.568 -3.106 155 3HG1 VAL 22 3HG1 VAL 22 -0.658 6.613 -2.684 156 1HG2 VAL 22 1HG2 VAL 22 -2.001 8.522 -2.624 157 2HG2 VAL 22 2HG2 VAL 22 -3.598 7.799 -2.857 158 3HG2 VAL 22 3HG2 VAL 22 -3.259 8.755 -1.404 159 H LEU 23 H LEU 23 -3.849 3.459 -1.265 160 HA LEU 23 HA LEU 23 -2.675 2.537 1.308 161 1HB LEU 23 2HB LEU 23 -4.557 1.366 -0.723 162 2HB LEU 23 1HB LEU 23 -3.464 0.277 0.135 163 HG LEU 23 HG LEU 23 -4.219 1.100 2.306 164 1HD1 LEU 23 1HD1 LEU 23 -6.420 0.073 2.247 165 2HD1 LEU 23 2HD1 LEU 23 -5.311 -0.823 1.195 166 3HD1 LEU 23 3HD1 LEU 23 -6.503 0.287 0.481 167 1HD2 LEU 23 1HD2 LEU 23 -6.325 2.527 2.367 168 2HD2 LEU 23 2HD2 LEU 23 -4.880 3.397 1.847 169 3HD2 LEU 23 3HD2 LEU 23 -6.063 2.866 0.639 170 H VAL 24 H VAL 24 -0.541 2.271 1.267 171 HA VAL 24 HA VAL 24 0.814 1.544 -1.321 172 HB VAL 24 HB VAL 24 1.964 2.783 1.205 173 1HG1 VAL 24 1HG1 VAL 24 3.638 1.413 0.013 174 2HG1 VAL 24 2HG1 VAL 24 3.967 3.125 -0.257 175 3HG1 VAL 24 3HG1 VAL 24 3.182 2.170 -1.529 176 1HG2 VAL 24 1HG2 VAL 24 1.380 3.994 -1.530 177 2HG2 VAL 24 2HG2 VAL 24 2.235 4.778 -0.188 178 3HG2 VAL 24 3HG2 VAL 24 0.522 4.379 -0.019 179 H ASP 25 HN ASP 25 1.199 -0.628 -1.482 180 HA ASP 25 HA ASP 25 1.552 -2.278 0.954 181 1HB ASP 25 1HB ASP 25 0.145 -3.215 -0.779 182 2HB ASP 25 2HB ASP 25 1.410 -2.952 -1.980 183 H PHE 26 H PHE 26 3.557 -2.291 1.841 184 HA PHE 26 HA PHE 26 5.918 -1.606 0.191 185 1HB PHE 26 2HB PHE 26 5.522 -2.358 3.105 186 2HB PHE 26 1HB PHE 26 7.102 -2.170 2.351 187 HD1 PHE 26 HD1 PHE 26 8.119 -0.055 2.183 188 HD2 PHE 26 HD2 PHE 26 3.875 -0.276 2.921 189 HE1 PHE 26 HE1 PHE 26 8.009 2.416 2.320 190 HE2 PHE 26 HE2 PHE 26 3.794 2.178 3.168 191 HZ PHE 26 HZ PHE 26 5.870 3.533 2.916 192 H TRP 27 H TRP 27 6.706 -3.159 -1.141 193 HA TRP 27 HA TRP 27 6.423 -6.045 -0.362 194 1HB TRP 27 2HB TRP 27 5.762 -6.590 -2.574 195 2HB TRP 27 1HB TRP 27 4.702 -5.306 -2.047 196 HD1 TRP 27 HD1 TRP 27 5.448 -2.832 -3.078 197 HE1 TRP 27 HE1 TRP 27 6.559 -2.173 -5.333 198 HE3 TRP 27 HE3 TRP 27 7.050 -7.448 -4.564 199 HZ2 TRP 27 HZ2 TRP 27 8.080 -3.485 -7.372 200 HZ3 TRP 27 HZ3 TRP 27 8.285 -7.720 -6.685 201 HH2 TRP 27 HH2 TRP 27 8.823 -5.750 -8.089 202 H ALA 28 H ALA 28 7.675 -7.289 -2.260 203 HA ALA 28 HA ALA 28 9.956 -6.078 -3.418 204 1HB ALA 28 1HB ALA 28 10.828 -6.167 -1.033 205 2HB ALA 28 2HB ALA 28 11.723 -7.261 -2.083 206 3HB ALA 28 3HB ALA 28 10.484 -7.911 -1.006 207 HA PRO 29 HA PRO 29 9.291 -9.766 -5.793 208 1HB PRO 29 1HB PRO 29 11.762 -10.387 -6.835 209 2HB PRO 29 2HB PRO 29 10.773 -9.002 -7.381 210 1HG PRO 29 1HG PRO 29 13.072 -8.974 -5.412 211 2HG PRO 29 2HG PRO 29 12.767 -7.851 -6.765 212 1HD PRO 29 1HD PRO 29 12.071 -7.201 -4.222 213 2HD PRO 29 2HD PRO 29 11.008 -6.772 -5.572 214 H TRP 30 H TRP 30 12.164 -9.918 -3.664 215 HA TRP 30 HA TRP 30 12.178 -12.776 -3.389 216 1HB TRP 30 2HB TRP 30 13.602 -12.244 -1.383 217 2HB TRP 30 1HB TRP 30 14.163 -11.632 -2.930 218 HD1 TRP 30 HD1 TRP 30 14.720 -9.157 -3.110 219 HE1 TRP 30 HE1 TRP 30 14.732 -7.160 -1.505 220 HE3 TRP 30 HE3 TRP 30 11.952 -11.170 0.715 221 HZ2 TRP 30 HZ2 TRP 30 13.432 -6.425 0.967 222 HZ3 TRP 30 HZ3 TRP 30 11.244 -9.750 2.607 223 HH2 TRP 30 HH2 TRP 30 11.844 -7.350 2.673 224 H CYS 31 H CYS 31 9.982 -10.382 -2.134 225 HA CYS 31 HA CYS 31 9.465 -11.818 0.385 226 1HB CYS 31 2HB CYS 31 9.138 -9.513 0.495 227 2HB CYS 31 1HB CYS 31 8.144 -9.481 -0.958 228 H GLY 32 H GLY 32 8.984 -13.848 -0.146 229 1HA GLY 32 1HA GLY 32 7.611 -15.235 -1.868 230 2HA GLY 32 2HA GLY 32 7.358 -15.529 -0.147 231 HA PRO 33 HA PRO 33 3.115 -14.631 -0.617 232 1HB PRO 33 1HB PRO 33 2.287 -12.815 1.257 233 2HB PRO 33 2HB PRO 33 2.774 -14.488 1.655 234 1HG PRO 33 2HG PRO 33 4.490 -12.005 1.746 235 2HG PRO 33 1HG PRO 33 4.228 -13.186 3.049 236 1HD PRO 33 1HD PRO 33 6.415 -13.332 1.400 237 2HD PRO 33 2HD PRO 33 5.557 -14.842 1.817 238 H CYS 34 H CYS 34 4.962 -11.602 -0.271 239 HA CYS 34 HA CYS 34 3.174 -9.748 -1.349 240 1HB CYS 34 2HB CYS 34 6.140 -9.740 -1.993 241 2HB CYS 34 1HB CYS 34 4.967 -8.448 -2.080 242 H ARG 35 HN ARG 35 5.584 -11.753 -3.002 243 HA ARG 35 HA ARG 35 5.319 -11.070 -5.650 244 1HB ARG 35 1HB ARG 35 6.797 -12.792 -4.439 245 2HB ARG 35 2HB ARG 35 5.502 -13.955 -4.677 246 1HG ARG 35 2HG ARG 35 5.624 -13.573 -7.155 247 2HG ARG 35 1HG ARG 35 6.990 -12.470 -6.885 248 1HD ARG 35 1HD ARG 35 6.850 -15.417 -6.150 249 2HD ARG 35 2HD ARG 35 7.808 -14.723 -7.470 250 HE ARG 35 HE ARG 35 8.906 -13.324 -5.567 251 1HH1 ARG 35 2HH2 ARG 35 8.046 -16.756 -5.208 252 2HH1 ARG 35 1HH2 ARG 35 9.024 -16.952 -3.780 253 1HH2 ARG 35 1HH1 ARG 35 10.072 -13.559 -3.818 254 2HH2 ARG 35 2HH1 ARG 35 10.240 -15.061 -2.930 255 H ILE 36 H ILE 36 3.328 -13.457 -3.885 256 HA ILE 36 HA ILE 36 1.565 -13.799 -6.259 257 HB ILE 36 HB ILE 36 0.588 -15.677 -5.003 258 1HG1 ILE 36 2HG1 ILE 36 1.960 -16.616 -3.107 259 2HG1 ILE 36 1HG1 ILE 36 2.693 -15.046 -2.874 260 1HG2 ILE 36 1HG2 ILE 36 2.505 -15.903 -6.580 261 2HG2 ILE 36 2HG2 ILE 36 3.630 -15.763 -5.212 262 3HG2 ILE 36 3HG2 ILE 36 2.511 -17.135 -5.312 263 1HD1 ILE 36 1HD1 ILE 36 0.775 -15.571 -1.334 264 2HD1 ILE 36 2HD1 ILE 36 0.436 -14.126 -2.284 265 3HD1 ILE 36 3HD1 ILE 36 -0.308 -15.673 -2.734 266 H ILE 37 H ILE 37 1.550 -11.909 -3.355 267 HA ILE 37 HA ILE 37 -1.368 -11.688 -3.356 268 HB ILE 37 HB ILE 37 0.512 -11.456 -1.378 269 1HG1 ILE 37 1HG1 ILE 37 -1.316 -10.327 -0.041 270 2HG1 ILE 37 2HG1 ILE 37 -2.284 -10.305 -1.521 271 1HG2 ILE 37 1HG2 ILE 37 0.815 -9.257 -0.628 272 2HG2 ILE 37 2HG2 ILE 37 -0.364 -8.596 -1.755 273 3HG2 ILE 37 3HG2 ILE 37 1.212 -9.154 -2.349 274 1HD1 ILE 37 1HD1 ILE 37 -2.103 -12.814 -1.619 275 2HD1 ILE 37 2HD1 ILE 37 -2.775 -12.266 -0.076 276 3HD1 ILE 37 3HD1 ILE 37 -1.078 -12.775 -0.171 277 H ALA 38 H ALA 38 1.350 -9.905 -4.714 278 HA ALA 38 HA ALA 38 0.463 -7.487 -5.349 279 1HB ALA 38 1HB ALA 38 1.770 -9.415 -7.326 280 2HB ALA 38 2HB ALA 38 2.577 -8.390 -6.131 281 3HB ALA 38 3HB ALA 38 1.711 -7.657 -7.490 282 HA PRO 39 HA PRO 39 -2.402 -8.677 -9.060 283 1HB PRO 39 2HB PRO 39 -3.455 -11.368 -8.301 284 2HB PRO 39 1HB PRO 39 -2.949 -10.779 -9.907 285 1HG PRO 39 1HG PRO 39 -1.414 -12.561 -8.511 286 2HG PRO 39 2HG PRO 39 -0.652 -11.220 -9.422 287 1HD PRO 39 1HD PRO 39 -1.401 -11.255 -6.479 288 2HD PRO 39 2HD PRO 39 0.201 -10.923 -7.197 289 H VAL 40 H VAL 40 -2.914 -9.991 -5.814 290 HA VAL 40 HA VAL 40 -5.741 -9.529 -5.614 291 HB VAL 40 HB VAL 40 -3.745 -9.761 -3.329 292 1HG1 VAL 40 1HG1 VAL 40 -5.664 -10.592 -2.130 293 2HG1 VAL 40 2HG1 VAL 40 -6.686 -10.347 -3.571 294 3HG1 VAL 40 3HG1 VAL 40 -5.923 -8.950 -2.758 295 1HG2 VAL 40 1HG2 VAL 40 -5.198 -11.962 -4.876 296 2HG2 VAL 40 2HG2 VAL 40 -3.437 -11.748 -4.807 297 3HG2 VAL 40 3HG2 VAL 40 -4.325 -12.186 -3.346 298 H VAL 41 H VAL 41 -2.753 -7.855 -4.532 299 HA VAL 41 HA VAL 41 -3.867 -5.520 -3.413 300 HB VAL 41 HB VAL 41 -1.285 -5.644 -5.040 301 1HG1 VAL 41 1HG1 VAL 41 -0.148 -6.034 -2.894 302 2HG1 VAL 41 2HG1 VAL 41 -1.723 -6.192 -2.078 303 3HG1 VAL 41 3HG1 VAL 41 -1.220 -7.353 -3.317 304 1HG2 VAL 41 1HG2 VAL 41 -1.893 -3.349 -4.594 305 2HG2 VAL 41 2HG2 VAL 41 -2.297 -3.726 -2.900 306 3HG2 VAL 41 3HG2 VAL 41 -0.622 -3.795 -3.455 307 H ASP 42 HN ASP 42 -3.005 -6.203 -6.822 308 HA ASP 42 HA ASP 42 -3.810 -3.727 -7.939 309 1HB ASP 42 1HB ASP 42 -3.590 -6.543 -8.993 310 2HB ASP 42 2HB ASP 42 -4.396 -5.334 -9.974 311 H GLU 43 HN GLU 43 -5.883 -6.746 -7.838 312 HA GLU 43 HA GLU 43 -8.109 -5.341 -8.853 313 1HB GLU 43 1HB GLU 43 -9.432 -7.247 -8.127 314 2HB GLU 43 2HB GLU 43 -7.959 -7.735 -8.968 315 1HG GLU 43 1HG GLU 43 -6.892 -8.232 -6.844 316 2HG GLU 43 2HG GLU 43 -8.334 -7.765 -5.934 317 H ILE 44 H ILE 44 -7.011 -5.488 -5.433 318 HA ILE 44 HA ILE 44 -9.555 -4.587 -4.454 319 HB ILE 44 HB ILE 44 -7.294 -3.390 -2.955 320 1HG1 ILE 44 1HG1 ILE 44 -7.474 -6.409 -3.260 321 2HG1 ILE 44 2HG1 ILE 44 -6.104 -5.295 -3.556 322 1HG2 ILE 44 1HG2 ILE 44 -9.698 -3.497 -2.243 323 2HG2 ILE 44 2HG2 ILE 44 -9.594 -5.269 -2.225 324 3HG2 ILE 44 3HG2 ILE 44 -8.642 -4.304 -1.090 325 1HD1 ILE 44 1HD1 ILE 44 -7.246 -6.035 -0.856 326 2HD1 ILE 44 2HD1 ILE 44 -5.654 -6.419 -1.519 327 3HD1 ILE 44 3HD1 ILE 44 -6.057 -4.734 -1.136 328 H ALA 45 H ALA 45 -7.046 -2.877 -6.271 329 HA ALA 45 HA ALA 45 -7.811 -0.193 -5.683 330 1HB ALA 45 1HB ALA 45 -5.840 -0.984 -7.119 331 2HB ALA 45 2HB ALA 45 -6.783 0.375 -7.769 332 3HB ALA 45 3HB ALA 45 -7.016 -1.255 -8.415 333 H GLY 46 H GLY 46 -9.211 -2.705 -7.790 334 1HA GLY 46 1HA GLY 46 -11.165 -1.046 -9.127 335 2HA GLY 46 2HA GLY 46 -11.139 -2.818 -9.013 336 H GLU 47 HN GLU 47 -11.105 -3.144 -6.196 337 HA GLU 47 HA GLU 47 -13.853 -2.917 -5.514 338 1HB GLU 47 1HB GLU 47 -11.413 -3.256 -3.744 339 2HB GLU 47 2HB GLU 47 -13.055 -3.433 -3.225 340 1HG GLU 47 2HG GLU 47 -11.813 -5.127 -5.460 341 2HG GLU 47 1HG GLU 47 -11.799 -5.581 -3.755 342 H TYR 48 H TYR 48 -11.063 -0.868 -4.757 343 HA TYR 48 HA TYR 48 -12.679 1.066 -3.245 344 1HB TYR 48 1HB TYR 48 -9.969 1.715 -4.427 345 2HB TYR 48 2HB TYR 48 -10.814 2.365 -3.064 346 HD1 TYR 48 HD1 TYR 48 -7.965 0.880 -3.622 347 HD2 TYR 48 HD2 TYR 48 -11.539 0.294 -1.357 348 HE1 TYR 48 HE1 TYR 48 -6.778 -0.828 -2.222 349 HE2 TYR 48 HE2 TYR 48 -10.413 -1.474 0.017 350 HH TYR 48 HH TYR 48 -8.370 -2.464 0.525 351 H LYS 49 HN LYS 49 -14.115 0.784 -5.328 352 HA LYS 49 HA LYS 49 -13.849 2.783 -7.386 353 1HB LYS 49 2HB LYS 49 -15.343 0.823 -7.563 354 2HB LYS 49 1HB LYS 49 -16.281 1.349 -6.167 355 1HG LYS 49 1HG LYS 49 -16.039 2.974 -8.743 356 2HG LYS 49 2HG LYS 49 -17.260 1.721 -8.476 357 1HD LYS 49 1HD LYS 49 -17.954 3.004 -6.353 358 2HD LYS 49 2HD LYS 49 -17.013 4.365 -6.984 359 1HE LYS 49 2HE LYS 49 -19.336 2.989 -8.400 360 2HE LYS 49 1HE LYS 49 -19.386 4.553 -7.575 361 1HZ LYS 49 1HZ LYS 49 -17.747 3.921 -9.926 362 2HZ LYS 49 2HZ LYS 49 -17.780 5.371 -9.142 363 3HZ LYS 49 3HZ LYS 49 -19.127 4.820 -9.914 364 H ASP 50 HN ASP 50 -15.272 2.485 -4.150 365 HA ASP 50 HA ASP 50 -15.707 5.360 -3.795 366 1HB ASP 50 1HB ASP 50 -15.057 3.365 -1.721 367 2HB ASP 50 2HB ASP 50 -15.819 4.945 -1.507 368 H LYS 51 HN LYS 51 -13.961 5.826 -4.484 369 HA LYS 51 HA LYS 51 -11.701 5.187 -4.960 370 1HB LYS 51 2HB LYS 51 -12.005 8.113 -4.448 371 2HB LYS 51 1HB LYS 51 -10.706 7.212 -5.284 372 1HG LYS 51 1HG LYS 51 -13.519 6.919 -6.326 373 2HG LYS 51 2HG LYS 51 -12.697 8.440 -6.579 374 1HD LYS 51 1HD LYS 51 -12.418 7.022 -8.506 375 2HD LYS 51 2HD LYS 51 -10.860 7.416 -7.768 376 1HE LYS 51 1HE LYS 51 -10.642 5.175 -6.858 377 2HE LYS 51 2HE LYS 51 -12.326 4.786 -7.280 378 1HZ LYS 51 1HZ LYS 51 -10.770 3.859 -8.799 379 2HZ LYS 51 2HZ LYS 51 -11.716 4.967 -9.570 380 3HZ LYS 51 3HZ LYS 51 -10.159 5.344 -9.172 381 H LEU 52 H LEU 52 -10.594 4.235 -3.803 382 HA LEU 52 HA LEU 52 -8.637 5.617 -1.946 383 1HB LEU 52 1HB LEU 52 -10.231 3.290 -1.313 384 2HB LEU 52 2HB LEU 52 -8.560 2.735 -1.594 385 HG LEU 52 HG LEU 52 -7.859 4.467 0.098 386 1HD1 LEU 52 1HD1 LEU 52 -10.913 4.677 0.325 387 2HD1 LEU 52 2HD1 LEU 52 -9.764 5.373 1.494 388 3HD1 LEU 52 3HD1 LEU 52 -9.831 5.982 -0.168 389 1HD2 LEU 52 1HD2 LEU 52 -8.740 3.146 2.012 390 2HD2 LEU 52 2HD2 LEU 52 -8.273 2.068 0.680 391 3HD2 LEU 52 3HD2 LEU 52 -9.979 2.442 0.947 392 H LYS 53 HN LYS 53 -6.611 5.781 -2.894 393 HA LYS 53 HA LYS 53 -6.220 4.358 -5.443 394 1HB LYS 53 1HB LYS 53 -5.529 6.788 -4.684 395 2HB LYS 53 2HB LYS 53 -4.113 5.991 -4.029 396 1HG LYS 53 2HG LYS 53 -4.914 5.437 -6.902 397 2HG LYS 53 1HG LYS 53 -4.203 7.000 -6.503 398 1HD LYS 53 2HD LYS 53 -2.193 6.079 -5.673 399 2HD LYS 53 1HD LYS 53 -2.844 4.437 -5.646 400 1HE LYS 53 1HE LYS 53 -2.484 6.011 -8.225 401 2HE LYS 53 2HE LYS 53 -1.244 4.948 -7.540 402 1HZ LYS 53 1HZ LYS 53 -2.546 3.785 -9.129 403 2HZ LYS 53 2HZ LYS 53 -3.941 4.099 -8.315 404 3HZ LYS 53 3HZ LYS 53 -2.785 3.140 -7.630 405 H CYS 54 H CYS 54 -4.502 2.787 -5.753 406 HA CYS 54 HA CYS 54 -3.489 1.518 -3.243 407 1HB CYS 54 1HB CYS 54 -5.435 0.258 -4.236 408 2HB CYS 54 2HB CYS 54 -4.457 0.053 -5.713 409 HG CYS 54 HG CYS 54 -4.288 -2.139 -4.407 410 H VAL 55 H VAL 55 -1.318 0.906 -3.340 411 HA VAL 55 HA VAL 55 0.078 1.066 -5.904 412 HB VAL 55 HB VAL 55 1.611 2.586 -3.937 413 1HG1 VAL 55 1HG1 VAL 55 -0.555 3.345 -3.023 414 2HG1 VAL 55 2HG1 VAL 55 0.369 4.635 -3.814 415 3HG1 VAL 55 3HG1 VAL 55 -1.010 3.914 -4.644 416 1HG2 VAL 55 1HG2 VAL 55 1.663 4.241 -5.763 417 2HG2 VAL 55 2HG2 VAL 55 2.029 2.609 -6.347 418 3HG2 VAL 55 3HG2 VAL 55 0.423 3.323 -6.636 419 H LYS 56 HN LYS 56 2.308 0.364 -5.717 420 HA LYS 56 HA LYS 56 2.890 -1.331 -3.330 421 1HB LYS 56 2HB LYS 56 2.698 -1.886 -6.245 422 2HB LYS 56 1HB LYS 56 4.020 -2.677 -5.384 423 1HG LYS 56 1HG LYS 56 2.556 -3.664 -3.776 424 2HG LYS 56 2HG LYS 56 1.153 -2.776 -4.413 425 1HD LYS 56 1HD LYS 56 2.773 -4.795 -6.027 426 2HD LYS 56 2HD LYS 56 1.359 -5.222 -5.046 427 1HE LYS 56 1HE LYS 56 -0.033 -3.607 -6.348 428 2HE LYS 56 2HE LYS 56 1.353 -3.273 -7.403 429 1HZ LYS 56 1HZ LYS 56 0.036 -5.872 -7.038 430 2HZ LYS 56 2HZ LYS 56 -0.078 -4.911 -8.356 431 3HZ LYS 56 3HZ LYS 56 1.367 -5.600 -7.978 432 H LEU 57 H LEU 57 4.609 -0.604 -2.305 433 HA LEU 57 HA LEU 57 6.687 0.997 -3.714 434 1HB LEU 57 1HB LEU 57 5.657 2.020 -1.806 435 2HB LEU 57 2HB LEU 57 6.056 0.631 -0.763 436 HG LEU 57 HG LEU 57 7.331 2.638 -0.351 437 1HD1 LEU 57 1HD1 LEU 57 8.934 3.531 -1.893 438 2HD1 LEU 57 2HD1 LEU 57 8.628 2.214 -3.050 439 3HD1 LEU 57 3HD1 LEU 57 7.384 3.447 -2.732 440 1HD2 LEU 57 1HD2 LEU 57 8.235 0.229 -0.038 441 2HD2 LEU 57 2HD2 LEU 57 9.253 0.581 -1.417 442 3HD2 LEU 57 3HD2 LEU 57 9.382 1.581 0.043 443 H ASN 58 H ASN 58 8.405 -0.047 -4.446 444 HA ASN 58 HA ASN 58 9.037 -2.757 -3.507 445 1HB ASN 58 1HB ASN 58 9.377 -2.096 -5.854 446 2HB ASN 58 2HB ASN 58 10.613 -0.944 -5.354 447 1HD2 ASN 58 2HD2 ASN 58 10.247 -4.031 -6.561 448 2HD2 ASN 58 1HD2 ASN 58 11.746 -4.718 -5.962 449 H THR 59 H THR 59 9.924 -3.054 -1.624 450 HA THR 59 HA THR 59 11.023 -0.954 -0.006 451 HB THR 59 HB THR 59 11.113 -3.977 0.405 452 HG1 THR 59 HG1 THR 59 9.010 -3.394 0.040 453 1HG2 THR 59 1HG2 THR 59 12.466 -2.713 2.062 454 2HG2 THR 59 2HG2 THR 59 11.071 -1.660 2.383 455 3HG2 THR 59 3HG2 THR 59 11.000 -3.380 2.805 456 H ASP 60 HN ASP 60 12.449 -3.364 -2.142 457 HA ASP 60 HA ASP 60 15.132 -3.274 -1.035 458 1HB ASP 60 1HB ASP 60 13.883 -5.083 -2.470 459 2HB ASP 60 2HB ASP 60 14.355 -4.110 -3.851 460 H GLU 61 HN GLU 61 13.332 -1.785 -3.634 461 HA GLU 61 HA GLU 61 15.506 -0.177 -4.703 462 1HB GLU 61 2HB GLU 61 13.398 -1.182 -5.887 463 2HB GLU 61 1HB GLU 61 12.536 0.194 -5.173 464 1HG GLU 61 1HG GLU 61 13.106 0.812 -7.379 465 2HG GLU 61 2HG GLU 61 14.237 1.704 -6.361 466 H SER 62 H SER 62 12.904 0.289 -2.363 467 HA SER 62 HA SER 62 13.705 3.137 -1.904 468 1HB SER 62 2HB SER 62 11.514 2.823 -3.014 469 2HB SER 62 1HB SER 62 10.939 1.904 -1.624 470 HG SER 62 HG SER 62 11.361 3.680 -0.324 471 HA PRO 63 HA PRO 63 14.167 0.463 2.003 472 1HB PRO 63 1HB PRO 63 16.837 0.797 2.410 473 2HB PRO 63 2HB PRO 63 16.212 -0.449 1.286 474 1HG PRO 63 2HG PRO 63 17.157 2.357 0.563 475 2HG PRO 63 1HG PRO 63 17.687 0.830 -0.155 476 1HD PRO 63 1HD PRO 63 15.738 2.215 -1.359 477 2HD PRO 63 2HD PRO 63 15.578 0.449 -1.194 478 H ASN 64 H ASN 64 15.395 3.485 0.737 479 HA ASN 64 HA ASN 64 15.922 5.071 2.943 480 1HB ASN 64 1HB ASN 64 14.333 5.874 0.457 481 2HB ASN 64 2HB ASN 64 15.042 7.000 1.624 482 1HD2 ASN 64 2HD2 ASN 64 15.762 7.460 -0.860 483 2HD2 ASN 64 1HD2 ASN 64 17.397 6.873 -1.179 484 H VAL 65 H VAL 65 12.707 5.109 1.403 485 HA VAL 65 HA VAL 65 11.337 6.379 3.490 486 HB VAL 65 HB VAL 65 10.312 4.394 1.402 487 1HG1 VAL 65 1HG2 VAL 65 8.649 4.731 3.212 488 2HG1 VAL 65 2HG2 VAL 65 8.144 5.482 1.696 489 3HG1 VAL 65 3HG2 VAL 65 8.796 6.491 3.007 490 1HG2 VAL 65 1HG1 VAL 65 11.457 6.293 0.344 491 2HG2 VAL 65 2HG1 VAL 65 10.581 7.434 1.380 492 3HG2 VAL 65 3HG1 VAL 65 9.709 6.481 0.160 493 H ALA 66 H ALA 66 11.425 2.904 2.725 494 HA ALA 66 HA ALA 66 9.865 1.975 4.843 495 1HB ALA 66 1HB ALA 66 10.554 0.578 3.005 496 2HB ALA 66 2HB ALA 66 12.263 0.670 3.513 497 3HB ALA 66 3HB ALA 66 11.080 -0.179 4.526 498 H SER 67 H SER 67 13.433 2.491 4.921 499 HA SER 67 HA SER 67 13.753 1.525 7.595 500 1HB SER 67 1HB SER 67 15.946 2.637 7.512 501 2HB SER 67 2HB SER 67 15.645 1.663 6.062 502 HG SER 67 HG SER 67 15.077 3.617 4.977 503 H GLU 68 HN GLU 68 13.452 4.825 6.286 504 HA GLU 68 HA GLU 68 13.457 6.281 8.705 505 1HB GLU 68 1HB GLU 68 11.917 6.726 6.113 506 2HB GLU 68 2HB GLU 68 12.004 7.917 7.409 507 1HG GLU 68 2HG GLU 68 14.346 8.247 7.112 508 2HG GLU 68 1HG GLU 68 14.537 6.773 6.161 509 H TYR 69 H TYR 69 10.785 4.627 7.074 510 HA TYR 69 HA TYR 69 8.755 5.366 9.022 511 1HB TYR 69 1HB TYR 69 8.973 3.700 6.521 512 2HB TYR 69 2HB TYR 69 7.677 3.335 7.595 513 HD1 TYR 69 HD1 TYR 69 9.339 6.370 6.046 514 HD2 TYR 69 HD2 TYR 69 5.660 4.608 7.432 515 HE1 TYR 69 HE1 TYR 69 8.102 8.302 5.175 516 HE2 TYR 69 HE2 TYR 69 4.420 6.600 6.622 517 HH TYR 69 HH TYR 69 6.067 9.349 5.039 518 H GLY 70 H GLY 70 11.016 2.705 8.734 519 1HA GLY 70 1HA GLY 70 11.703 1.367 10.547 520 2HA GLY 70 2HA GLY 70 10.208 1.742 11.423 521 H ILE 71 H ILE 71 10.257 0.719 8.054 522 HA ILE 71 HA ILE 71 8.444 -1.498 8.692 523 HB ILE 71 HB ILE 71 9.518 -0.531 6.023 524 1HG1 ILE 71 1HG1 ILE 71 7.121 0.278 7.722 525 2HG1 ILE 71 2HG1 ILE 71 8.448 1.296 7.158 526 1HG2 ILE 71 1HG2 ILE 71 7.566 -1.704 5.095 527 2HG2 ILE 71 2HG2 ILE 71 8.548 -2.834 6.011 528 3HG2 ILE 71 3HG2 ILE 71 7.053 -2.194 6.727 529 1HD1 ILE 71 1HD1 ILE 71 6.287 0.142 5.394 530 2HD1 ILE 71 2HD1 ILE 71 6.602 1.842 5.794 531 3HD1 ILE 71 3HD1 ILE 71 7.784 0.935 4.838 532 H ARG 72 HN ARG 72 9.986 -2.557 10.004 533 HA ARG 72 HA ARG 72 12.367 -3.774 8.918 534 1HB ARG 72 1HB ARG 72 12.334 -5.048 11.041 535 2HB ARG 72 2HB ARG 72 12.154 -3.313 11.303 536 1HG ARG 72 1HG ARG 72 9.949 -3.484 12.009 537 2HG ARG 72 2HG ARG 72 9.610 -4.934 11.057 538 1HD ARG 72 1HD ARG 72 10.955 -6.320 12.582 539 2HD ARG 72 2HD ARG 72 11.392 -4.881 13.512 540 HE ARG 72 HE ARG 72 9.378 -4.903 14.564 541 1HH1 ARG 72 1HH2 ARG 72 9.041 -7.025 11.679 542 2HH1 ARG 72 2HH2 ARG 72 7.559 -7.707 12.257 543 1HH2 ARG 72 1HH1 ARG 72 7.412 -5.785 15.215 544 2HH2 ARG 72 2HH1 ARG 72 6.593 -6.975 14.243 545 H SER 73 H SER 73 9.144 -4.571 8.178 546 HA SER 73 HA SER 73 9.914 -7.171 7.173 547 1HB SER 73 2HB SER 73 7.588 -7.043 9.132 548 2HB SER 73 1HB SER 73 8.307 -8.478 8.389 549 HG SER 73 HG SER 73 10.319 -7.555 9.564 550 H ILE 74 H ILE 74 8.160 -8.012 5.777 551 HA ILE 74 HA ILE 74 6.025 -6.195 4.991 552 HB ILE 74 HB ILE 74 6.824 -6.371 2.565 553 1HG1 ILE 74 1HG1 ILE 74 9.565 -6.982 3.659 554 2HG1 ILE 74 2HG1 ILE 74 8.482 -8.207 2.971 555 1HG2 ILE 74 1HG2 ILE 74 8.175 -4.395 2.698 556 2HG2 ILE 74 2HG2 ILE 74 8.730 -4.788 4.331 557 3HG2 ILE 74 3HG2 ILE 74 7.041 -4.311 4.045 558 1HD1 ILE 74 1HD1 ILE 74 9.880 -7.445 1.183 559 2HD1 ILE 74 2HD1 ILE 74 8.266 -6.831 0.892 560 3HD1 ILE 74 3HD1 ILE 74 9.532 -5.747 1.518 561 HA PRO 75 HA PRO 75 4.669 -6.585 2.714 562 1HB PRO 75 1HB PRO 75 2.109 -7.410 2.417 563 2HB PRO 75 2HB PRO 75 3.434 -7.949 1.401 564 1HG PRO 75 1HG PRO 75 2.280 -9.383 3.840 565 2HG PRO 75 2HG PRO 75 2.647 -10.098 2.240 566 1HD PRO 75 1HD PRO 75 4.285 -10.248 4.452 567 2HD PRO 75 2HD PRO 75 4.952 -10.162 2.808 568 H THR 76 H THR 76 3.465 -4.886 3.266 569 HA THR 76 HA THR 76 1.652 -4.820 5.523 570 HB THR 76 HB THR 76 4.390 -3.502 5.735 571 HG1 THR 76 HG1 THR 76 3.554 -5.765 6.612 572 1HG2 THR 76 1HG2 THR 76 3.535 -2.492 7.848 573 2HG2 THR 76 2HG2 THR 76 1.904 -3.062 7.447 574 3HG2 THR 76 3HG2 THR 76 2.703 -1.834 6.432 575 H ILE 77 H ILE 77 0.106 -3.537 4.821 576 HA ILE 77 HA ILE 77 0.584 -1.623 2.633 577 HB ILE 77 HB ILE 77 -2.063 -2.620 3.724 578 1HG1 ILE 77 1HG1 ILE 77 -0.382 -3.769 1.458 579 2HG1 ILE 77 2HG1 ILE 77 -0.842 -4.585 2.958 580 1HG2 ILE 77 1HG2 ILE 77 -1.308 -1.390 1.031 581 2HG2 ILE 77 2HG2 ILE 77 -2.945 -1.744 1.626 582 3HG2 ILE 77 3HG2 ILE 77 -1.995 -0.471 2.385 583 1HD1 ILE 77 1HD1 ILE 77 -3.250 -4.388 2.292 584 2HD1 ILE 77 2HD1 ILE 77 -2.708 -3.798 0.698 585 3HD1 ILE 77 3HD1 ILE 77 -2.255 -5.419 1.241 586 H MET 78 H MET 78 0.839 0.521 3.282 587 HA MET 78 HA MET 78 -0.337 1.268 5.957 588 1HB MET 78 2HB MET 78 1.653 2.823 4.371 589 2HB MET 78 1HB MET 78 1.045 3.180 5.979 590 1HG MET 78 2HG MET 78 1.918 0.979 6.786 591 2HG MET 78 1HG MET 78 2.755 0.771 5.249 592 1HE MET 78 1HE MET 78 5.258 1.598 8.319 593 2HE MET 78 2HE MET 78 4.703 0.299 7.229 594 3HE MET 78 3HE MET 78 3.630 0.911 8.503 595 H VAL 79 H VAL 79 -1.560 3.084 6.108 596 HA VAL 79 HA VAL 79 -3.177 3.692 3.652 597 HB VAL 79 HB VAL 79 -3.911 3.799 6.604 598 1HG1 VAL 79 1HG1 VAL 79 -4.929 2.001 4.376 599 2HG1 VAL 79 2HG1 VAL 79 -3.846 1.501 5.692 600 3HG1 VAL 79 3HG1 VAL 79 -5.496 2.025 6.056 601 1HG2 VAL 79 1HG2 VAL 79 -5.057 5.634 5.501 602 2HG2 VAL 79 2HG2 VAL 79 -6.217 4.327 5.697 603 3HG2 VAL 79 3HG2 VAL 79 -5.466 4.613 4.113 604 H PHE 80 H PHE 80 -2.323 5.529 2.785 605 HA PHE 80 HA PHE 80 -1.622 7.828 4.536 606 1HB PHE 80 1HB PHE 80 -1.349 7.309 1.587 607 2HB PHE 80 2HB PHE 80 -0.997 8.859 2.343 608 HD1 PHE 80 HD1 PHE 80 0.034 5.269 2.191 609 HD2 PHE 80 HD2 PHE 80 1.009 9.208 3.654 610 HE1 PHE 80 HE1 PHE 80 2.246 4.452 2.952 611 HE2 PHE 80 HE2 PHE 80 3.139 8.345 4.558 612 HZ PHE 80 HZ PHE 80 3.733 5.937 4.273 613 H LYS 81 HN LYS 81 -3.081 9.291 4.998 614 HA LYS 81 HA LYS 81 -5.719 9.224 3.544 615 1HB LYS 81 2HB LYS 81 -6.798 9.632 5.557 616 2HB LYS 81 1HB LYS 81 -5.561 8.458 5.988 617 1HG LYS 81 1HG LYS 81 -5.661 11.440 6.602 618 2HG LYS 81 2HG LYS 81 -5.684 10.088 7.725 619 1HD LYS 81 1HD LYS 81 -3.287 9.552 6.921 620 2HD LYS 81 2HD LYS 81 -3.337 11.104 6.065 621 1HE LYS 81 1HE LYS 81 -2.256 11.585 8.081 622 2HE LYS 81 2HE LYS 81 -3.899 12.213 8.284 623 1HZ LYS 81 1HZ LYS 81 -2.787 9.700 9.331 624 2HZ LYS 81 2HZ LYS 81 -3.207 11.028 10.203 625 3HZ LYS 81 3HZ LYS 81 -4.380 10.125 9.478 626 H GLY 82 H GLY 82 -2.999 10.966 3.547 627 1HA GLY 82 1HA GLY 82 -3.483 13.096 2.182 628 2HA GLY 82 2HA GLY 82 -4.182 13.677 3.709 629 H GLY 83 H GLY 83 -1.229 13.108 1.953 630 1HA GLY 83 2HA GLY 83 0.915 13.782 2.463 631 2HA GLY 83 1HA GLY 83 0.333 14.465 3.973 632 H LYS 84 HN LYS 84 -0.289 12.748 5.636 633 HA LYS 84 HA LYS 84 2.009 10.818 5.844 634 1HB LYS 84 2HB LYS 84 0.319 12.054 8.049 635 2HB LYS 84 1HB LYS 84 1.768 11.066 8.257 636 1HG LYS 84 2HG LYS 84 1.636 13.854 7.025 637 2HG LYS 84 1HG LYS 84 2.286 13.407 8.604 638 1HD LYS 84 1HD LYS 84 4.018 11.983 7.456 639 2HD LYS 84 2HD LYS 84 3.417 12.570 5.889 640 1HE LYS 84 1HE LYS 84 3.912 14.906 6.565 641 2HE LYS 84 2HE LYS 84 4.560 14.318 8.109 642 1HZ LYS 84 1HZ LYS 84 6.275 14.698 6.509 643 2HZ LYS 84 2HZ LYS 84 6.200 13.095 6.879 644 3HZ LYS 84 3HZ LYS 84 5.594 13.640 5.445 645 H LYS 85 HN LYS 85 1.537 9.002 7.406 646 HA LYS 85 HA LYS 85 -0.645 7.441 6.290 647 1HB LYS 85 1HB LYS 85 0.220 5.613 7.505 648 2HB LYS 85 2HB LYS 85 1.527 6.405 6.628 649 1HG LYS 85 2HG LYS 85 2.365 7.449 8.655 650 2HG LYS 85 1HG LYS 85 0.986 6.880 9.606 651 1HD LYS 85 1HD LYS 85 2.994 5.038 8.235 652 2HD LYS 85 2HD LYS 85 3.084 5.565 9.924 653 1HE LYS 85 2HE LYS 85 0.786 4.561 10.304 654 2HE LYS 85 1HE LYS 85 0.872 3.869 8.672 655 1HZ LYS 85 1HZ LYS 85 1.587 2.322 10.298 656 2HZ LYS 85 2HZ LYS 85 2.756 3.344 10.850 657 3HZ LYS 85 3HZ LYS 85 2.853 2.731 9.323 658 H CYS 86 H CYS 86 -2.156 6.288 7.645 659 HA CYS 86 HA CYS 86 -2.927 7.694 10.190 660 1HB CYS 86 2HB CYS 86 -4.523 8.080 8.300 661 2HB CYS 86 1HB CYS 86 -4.794 6.345 8.182 662 HG CYS 86 HG CYS 86 -6.746 6.910 9.575 663 H GLU 87 HN GLU 87 -3.642 4.646 8.453 664 HA GLU 87 HA GLU 87 -2.743 3.088 10.843 665 1HB GLU 87 2HB GLU 87 -4.986 2.093 9.088 666 2HB GLU 87 1HB GLU 87 -4.546 1.654 10.736 667 1HG GLU 87 2HG GLU 87 -6.423 2.829 11.190 668 2HG GLU 87 1HG GLU 87 -5.266 4.151 11.303 669 H THR 88 H THR 88 -2.989 0.559 9.804 670 HA THR 88 HA THR 88 -1.859 0.343 7.198 671 HB THR 88 HB THR 88 0.169 0.989 8.462 672 HG1 THR 88 HG1 THR 88 0.179 -0.769 6.861 673 1HG2 THR 88 1HG2 THR 88 -0.391 -1.441 10.231 674 2HG2 THR 88 2HG2 THR 88 1.063 -0.431 10.266 675 3HG2 THR 88 3HG2 THR 88 -0.497 0.259 10.743 676 H ILE 89 H ILE 89 -1.418 -2.088 6.791 677 HA ILE 89 HA ILE 89 -3.059 -3.898 8.462 678 HB ILE 89 HB ILE 89 -3.345 -3.692 5.425 679 1HG1 ILE 89 2HG1 ILE 89 -5.272 -2.633 7.534 680 2HG1 ILE 89 1HG1 ILE 89 -4.302 -1.641 6.431 681 1HG2 ILE 89 1HG2 ILE 89 -5.203 -5.256 5.752 682 2HG2 ILE 89 2HG2 ILE 89 -5.033 -5.144 7.517 683 3HG2 ILE 89 3HG2 ILE 89 -3.778 -5.916 6.533 684 1HD1 ILE 89 1HD1 ILE 89 -6.524 -1.732 5.581 685 2HD1 ILE 89 2HD1 ILE 89 -6.526 -3.498 5.562 686 3HD1 ILE 89 3HD1 ILE 89 -5.435 -2.599 4.482 687 H ILE 90 H ILE 90 -1.959 -5.927 8.553 688 HA ILE 90 HA ILE 90 0.671 -6.062 7.220 689 HB ILE 90 HB ILE 90 -0.791 -8.004 9.056 690 1HG1 ILE 90 2HG1 ILE 90 1.527 -6.071 9.581 691 2HG1 ILE 90 1HG1 ILE 90 -0.144 -5.807 10.091 692 1HG2 ILE 90 1HG2 ILE 90 2.101 -8.008 8.058 693 2HG2 ILE 90 2HG2 ILE 90 0.845 -9.169 7.580 694 3HG2 ILE 90 3HG2 ILE 90 1.411 -9.142 9.237 695 1HD1 ILE 90 1HD1 ILE 90 1.037 -6.607 11.985 696 2HD1 ILE 90 2HD1 ILE 90 1.713 -7.981 11.106 697 3HD1 ILE 90 3HD1 ILE 90 -0.034 -7.916 11.448 698 H GLY 91 H GLY 91 1.120 -7.523 5.464 699 1HA GLY 91 2HA GLY 91 -1.239 -8.117 3.828 700 2HA GLY 91 1HA GLY 91 0.422 -8.388 3.380 701 H ALA 92 H ALA 92 -0.092 -10.525 2.579 702 HA ALA 92 HA ALA 92 -0.719 -12.713 2.582 703 1HB ALA 92 1HB ALA 92 1.378 -12.795 3.916 704 2HB ALA 92 2HB ALA 92 0.432 -12.652 5.413 705 3HB ALA 92 3HB ALA 92 0.232 -14.070 4.370 706 H VAL 93 H VAL 93 -2.932 -11.367 2.741 707 HA VAL 93 HA VAL 93 -4.642 -12.743 4.723 708 HB VAL 93 HB VAL 93 -5.778 -10.208 4.008 709 1HG1 VAL 93 1HG1 VAL 93 -3.139 -9.853 5.453 710 2HG1 VAL 93 2HG1 VAL 93 -4.329 -8.591 5.117 711 3HG1 VAL 93 3HG1 VAL 93 -3.438 -9.320 3.776 712 1HG2 VAL 93 1HG2 VAL 93 -6.060 -9.773 6.276 713 2HG2 VAL 93 2HG2 VAL 93 -6.459 -11.457 5.933 714 3HG2 VAL 93 3HG2 VAL 93 -4.914 -11.068 6.727 715 HA PRO 94 HA PRO 94 -7.135 -12.994 0.904 716 1HB PRO 94 2HB PRO 94 -9.577 -12.777 2.575 717 2HB PRO 94 1HB PRO 94 -9.152 -14.068 1.446 718 1HG PRO 94 2HG PRO 94 -9.042 -14.480 4.173 719 2HG PRO 94 1HG PRO 94 -7.731 -15.123 3.134 720 1HD PRO 94 1HD PRO 94 -7.805 -12.466 4.582 721 2HD PRO 94 2HD PRO 94 -6.534 -13.698 4.732 722 H LYS 95 HN LYS 95 -8.073 -11.287 -0.310 723 HA LYS 95 HA LYS 95 -7.794 -8.722 0.785 724 1HB LYS 95 1HB LYS 95 -9.348 -8.075 -1.242 725 2HB LYS 95 2HB LYS 95 -7.730 -8.688 -1.581 726 1HG LYS 95 2HG LYS 95 -8.639 -10.882 -2.169 727 2HG LYS 95 1HG LYS 95 -10.266 -10.415 -1.636 728 1HD LYS 95 2HD LYS 95 -8.760 -8.928 -3.826 729 2HD LYS 95 1HD LYS 95 -9.723 -10.378 -4.155 730 1HE LYS 95 2HE LYS 95 -11.752 -9.326 -3.329 731 2HE LYS 95 1HE LYS 95 -10.873 -7.863 -2.853 732 1HZ LYS 95 1HZ LYS 95 -10.390 -7.425 -5.091 733 2HZ LYS 95 2HZ LYS 95 -10.994 -8.868 -5.600 734 3HZ LYS 95 3HZ LYS 95 -12.011 -7.719 -4.985 735 H ALA 96 H ALA 96 -10.559 -10.836 0.773 736 HA ALA 96 HA ALA 96 -12.677 -9.053 1.308 737 1HB ALA 96 1HB ALA 96 -13.660 -10.879 2.671 738 2HB ALA 96 2HB ALA 96 -12.106 -11.739 2.659 739 3HB ALA 96 3HB ALA 96 -12.998 -11.489 1.142 740 H THR 97 H THR 97 -10.427 -10.539 3.721 741 HA THR 97 HA THR 97 -11.226 -9.088 5.964 742 HB THR 97 HB THR 97 -8.415 -10.049 5.281 743 HG1 THR 97 HG1 THR 97 -10.687 -11.509 6.165 744 1HG2 THR 97 1HG2 THR 97 -8.345 -10.625 7.693 745 2HG2 THR 97 2HG2 THR 97 -8.614 -8.888 7.462 746 3HG2 THR 97 3HG2 THR 97 -9.970 -9.944 7.914 747 H ILE 98 H ILE 98 -8.740 -8.301 3.478 748 HA ILE 98 HA ILE 98 -7.736 -5.941 4.727 749 HB ILE 98 HB ILE 98 -7.911 -6.659 1.755 750 1HG1 ILE 98 2HG1 ILE 98 -5.686 -6.989 3.819 751 2HG1 ILE 98 1HG1 ILE 98 -6.654 -8.284 3.106 752 1HG2 ILE 98 1HG2 ILE 98 -6.152 -4.960 1.440 753 2HG2 ILE 98 2HG2 ILE 98 -7.579 -4.201 2.117 754 3HG2 ILE 98 3HG2 ILE 98 -6.197 -4.567 3.170 755 1HD1 ILE 98 1HD1 ILE 98 -5.759 -7.590 0.827 756 2HD1 ILE 98 2HD1 ILE 98 -4.599 -6.561 1.696 757 3HD1 ILE 98 3HD1 ILE 98 -4.594 -8.309 1.948 758 H VAL 99 H VAL 99 -10.422 -6.389 2.376 759 HA VAL 99 HA VAL 99 -11.122 -3.625 2.208 760 HB VAL 99 HB VAL 99 -12.661 -6.178 1.636 761 1HG1 VAL 99 1HG1 VAL 99 -14.324 -4.429 2.040 762 2HG1 VAL 99 2HG1 VAL 99 -13.420 -3.283 1.028 763 3HG1 VAL 99 3HG1 VAL 99 -14.197 -4.708 0.304 764 1HG2 VAL 99 1HG2 VAL 99 -11.382 -4.107 -0.208 765 2HG2 VAL 99 2HG2 VAL 99 -12.186 -5.608 -0.705 766 3HG2 VAL 99 3HG2 VAL 99 -10.657 -5.674 0.182 767 H GLN 100 H GLN 100 -12.384 -6.294 4.330 768 HA GLN 100 HA GLN 100 -14.309 -4.680 5.710 769 1HB GLN 100 1HB GLN 100 -12.752 -7.163 6.479 770 2HB GLN 100 2HB GLN 100 -13.704 -6.288 7.680 771 1HG GLN 100 1HG GLN 100 -15.040 -8.046 6.821 772 2HG GLN 100 2HG GLN 100 -15.747 -6.509 6.298 773 1HE2 GLN 100 2HE2 GLN 100 -15.125 -5.779 4.000 774 2HE2 GLN 100 1HE2 GLN 100 -14.451 -6.984 2.919 775 H THR 101 H THR 101 -10.912 -5.205 6.243 776 HA THR 101 HA THR 101 -10.705 -3.589 8.638 777 HB THR 101 HB THR 101 -8.512 -4.099 6.588 778 HG1 THR 101 HG1 THR 101 -9.439 -6.021 7.365 779 1HG2 THR 101 1HG2 THR 101 -7.903 -2.357 8.201 780 2HG2 THR 101 2HG2 THR 101 -7.042 -3.859 8.591 781 3HG2 THR 101 3HG2 THR 101 -8.450 -3.374 9.553 782 H VAL 102 H VAL 102 -10.226 -2.750 5.159 783 HA VAL 102 HA VAL 102 -9.702 0.013 5.534 784 HB VAL 102 HB VAL 102 -10.929 -1.586 3.256 785 1HG1 VAL 102 1HG1 VAL 102 -8.484 -1.814 3.712 786 2HG1 VAL 102 2HG1 VAL 102 -8.323 -0.052 3.569 787 3HG1 VAL 102 3HG1 VAL 102 -8.805 -1.018 2.160 788 1HG2 VAL 102 1HG2 VAL 102 -11.963 0.604 3.028 789 2HG2 VAL 102 2HG2 VAL 102 -10.685 0.419 1.832 790 3HG2 VAL 102 3HG2 VAL 102 -10.391 1.401 3.287 791 H GLU 103 HN GLU 103 -12.827 -1.680 5.110 792 HA GLU 103 HA GLU 103 -14.480 0.603 5.257 793 1HB GLU 103 2HB GLU 103 -14.971 -2.288 6.105 794 2HB GLU 103 1HB GLU 103 -16.213 -1.035 6.031 795 1HG GLU 103 1HG GLU 103 -15.949 -0.726 3.681 796 2HG GLU 103 2HG GLU 103 -14.515 -1.747 3.601 797 H LYS 104 HN LYS 104 -13.309 -1.544 7.855 798 HA LYS 104 HA LYS 104 -14.485 -0.198 10.023 799 1HB LYS 104 1HB LYS 104 -13.479 -1.895 11.082 800 2HB LYS 104 2HB LYS 104 -12.566 -2.265 9.656 801 1HG LYS 104 1HG LYS 104 -11.107 -2.173 11.466 802 2HG LYS 104 2HG LYS 104 -10.700 -0.870 10.371 803 1HD LYS 104 1HD LYS 104 -10.497 -0.409 12.823 804 2HD LYS 104 2HD LYS 104 -11.419 0.802 11.971 805 1HE LYS 104 2HE LYS 104 -12.716 -1.490 13.523 806 2HE LYS 104 1HE LYS 104 -12.291 0.078 14.227 807 1HZ LYS 104 1HZ LYS 104 -14.501 0.208 13.608 808 2HZ LYS 104 2HZ LYS 104 -14.234 -0.378 12.097 809 3HZ LYS 104 3HZ LYS 104 -13.668 1.108 12.498 810 H TYR 105 H TYR 105 -11.408 0.581 8.342 811 HA TYR 105 HA TYR 105 -10.844 2.867 10.056 812 1HB TYR 105 1HB TYR 105 -9.864 2.206 7.252 813 2HB TYR 105 2HB TYR 105 -9.188 3.427 8.316 814 HD1 TYR 105 HD1 TYR 105 -7.683 1.164 6.959 815 HD2 TYR 105 HD2 TYR 105 -9.357 1.554 10.919 816 HE1 TYR 105 HE1 TYR 105 -5.918 -0.308 7.869 817 HE2 TYR 105 HE2 TYR 105 -7.690 -0.027 11.780 818 HH TYR 105 HH TYR 105 -4.988 -1.285 9.818 819 H LEU 106 H LEU 106 -12.586 2.514 6.961 820 HA LEU 106 HA LEU 106 -12.960 5.453 6.764 821 1HB LEU 106 2HB LEU 106 -13.803 3.167 4.940 822 2HB LEU 106 1HB LEU 106 -14.031 4.892 4.612 823 HG LEU 106 HG LEU 106 -11.361 3.442 4.908 824 1HD1 LEU 106 1HD2 LEU 106 -11.962 6.353 4.230 825 2HD1 LEU 106 2HD2 LEU 106 -11.054 5.748 5.637 826 3HD1 LEU 106 3HD2 LEU 106 -10.385 5.566 4.015 827 1HD2 LEU 106 1HD1 LEU 106 -11.137 3.745 2.531 828 2HD2 LEU 106 2HD1 LEU 106 -12.654 4.654 2.425 829 3HD2 LEU 106 3HD1 LEU 106 -12.671 2.924 2.821 830 H ASN 107 H ASN 107 -15.376 2.893 6.135 831 HA ASN 107 HA ASN 107 -17.108 3.466 8.243 832 1HB ASN 107 1HB ASN 107 -17.410 5.561 6.711 833 2HB ASN 107 2HB ASN 107 -18.096 4.448 5.525 834 1HD2 ASN 107 2HD2 ASN 107 -19.570 2.744 7.426 835 2HD2 ASN 107 1HD2 ASN 107 -20.868 3.761 8.067 Start of MODEL 14 1 1H MET 1 1H MET 1 0.608 -2.840 -11.860 2 2H MET 1 2H MET 1 -0.802 -3.313 -11.085 3 3H MET 1 3H MET 1 -0.367 -1.753 -11.041 4 HA MET 1 HA MET 1 -0.809 -1.395 -13.284 5 1HB MET 1 2HB MET 1 -1.759 -3.200 -14.680 6 2HB MET 1 1HB MET 1 -0.078 -3.509 -14.234 7 1HG MET 1 2HG MET 1 -0.798 -5.128 -12.528 8 2HG MET 1 1HG MET 1 -2.502 -4.790 -12.903 9 1HE MET 1 1HE MET 1 -2.133 -8.413 -14.146 10 2HE MET 1 2HE MET 1 -1.323 -7.703 -12.730 11 3HE MET 1 3HE MET 1 -3.018 -7.286 -13.091 12 H GLU 2 HN GLU 2 -2.963 -0.585 -13.617 13 HA GLU 2 HA GLU 2 -5.047 0.059 -12.969 14 1HB GLU 2 1HB GLU 2 -5.321 -2.433 -11.227 15 2HB GLU 2 2HB GLU 2 -6.584 -1.358 -11.797 16 1HG GLU 2 1HG GLU 2 -6.319 -2.121 -14.077 17 2HG GLU 2 2HG GLU 2 -4.867 -3.048 -13.671 18 H ALA 3 H ALA 3 -3.730 -1.643 -10.150 19 HA ALA 3 HA ALA 3 -3.633 0.739 -8.434 20 1HB ALA 3 1HB ALA 3 -2.400 -0.771 -6.920 21 2HB ALA 3 2HB ALA 3 -2.273 -1.986 -8.194 22 3HB ALA 3 3HB ALA 3 -3.869 -1.585 -7.511 23 H GLY 4 H GLY 4 -1.632 1.936 -8.084 24 1HA GLY 4 1HA GLY 4 0.147 1.899 -10.432 25 2HA GLY 4 2HA GLY 4 0.214 2.991 -9.046 26 H ALA 5 H ALA 5 2.572 2.444 -9.555 27 HA ALA 5 HA ALA 5 3.515 0.462 -7.593 28 1HB ALA 5 1HB ALA 5 4.684 0.882 -10.388 29 2HB ALA 5 2HB ALA 5 5.432 -0.058 -9.078 30 3HB ALA 5 3HB ALA 5 3.901 -0.602 -9.797 31 H VAL 6 H VAL 6 5.154 1.516 -6.340 32 HA VAL 6 HA VAL 6 5.888 4.280 -7.188 33 HB VAL 6 HB VAL 6 5.536 5.115 -4.930 34 1HG1 VAL 6 1HG2 VAL 6 4.333 3.867 -3.217 35 2HG1 VAL 6 2HG2 VAL 6 5.809 3.007 -3.684 36 3HG1 VAL 6 3HG2 VAL 6 4.227 2.442 -4.267 37 1HG2 VAL 6 1HG1 VAL 6 3.087 5.147 -4.859 38 2HG2 VAL 6 2HG1 VAL 6 3.656 5.306 -6.540 39 3HG2 VAL 6 3HG1 VAL 6 3.040 3.750 -5.945 40 H ASN 7 H ASN 7 7.627 5.120 -5.818 41 HA ASN 7 HA ASN 7 9.522 3.135 -4.763 42 1HB ASN 7 1HB ASN 7 9.998 5.070 -7.088 43 2HB ASN 7 2HB ASN 7 11.334 4.471 -6.122 44 1HD2 ASN 7 1HD2 ASN 7 11.394 2.031 -5.793 45 2HD2 ASN 7 2HD2 ASN 7 11.146 1.083 -7.281 46 H ASP 8 HN ASP 8 11.431 4.601 -3.893 47 HA ASP 8 HA ASP 8 10.433 6.071 -1.751 48 1HB ASP 8 1HB ASP 8 12.699 6.834 -1.389 49 2HB ASP 8 2HB ASP 8 12.733 5.167 -2.005 50 H ASP 9 HN ASP 9 11.688 7.357 -4.730 51 HA ASP 9 HA ASP 9 11.116 10.111 -4.318 52 1HB ASP 9 1HB ASP 9 12.506 9.377 -6.161 53 2HB ASP 9 2HB ASP 9 11.193 8.474 -6.901 54 H THR 10 H THR 10 9.212 8.053 -6.533 55 HA THR 10 HA THR 10 7.062 9.789 -6.838 56 HB THR 10 HB THR 10 5.846 7.650 -7.585 57 HG1 THR 10 HG1 THR 10 7.433 5.907 -7.841 58 1HG2 THR 10 1HG2 THR 10 8.632 8.219 -8.718 59 2HG2 THR 10 2HG2 THR 10 7.152 9.111 -9.118 60 3HG2 THR 10 3HG2 THR 10 7.302 7.403 -9.564 61 H PHE 11 H PHE 11 7.533 7.405 -4.274 62 HA PHE 11 HA PHE 11 5.123 7.130 -3.021 63 1HB PHE 11 1HB PHE 11 7.292 6.307 -2.166 64 2HB PHE 11 2HB PHE 11 7.773 7.927 -1.752 65 HD1 PHE 11 HD1 PHE 11 5.226 5.302 -0.951 66 HD2 PHE 11 HD2 PHE 11 7.247 8.877 0.362 67 HE1 PHE 11 HE1 PHE 11 4.433 4.902 1.360 68 HE2 PHE 11 HE2 PHE 11 6.409 8.499 2.657 69 HZ PHE 11 HZ PHE 11 5.045 6.484 3.170 70 H LYS 12 HN LYS 12 7.301 9.873 -2.862 71 HA LYS 12 HA LYS 12 5.799 11.504 -1.061 72 1HB LYS 12 1HB LYS 12 7.601 12.393 -3.366 73 2HB LYS 12 2HB LYS 12 6.908 13.396 -2.105 74 1HG LYS 12 2HG LYS 12 8.083 11.529 -0.497 75 2HG LYS 12 1HG LYS 12 9.025 11.215 -1.952 76 1HD LYS 12 1HD LYS 12 10.325 12.765 -0.748 77 2HD LYS 12 2HD LYS 12 9.526 13.756 -1.982 78 1HE LYS 12 1HE LYS 12 7.769 14.368 -0.239 79 2HE LYS 12 2HE LYS 12 8.672 13.416 0.947 80 1HZ LYS 12 1HZ LYS 12 9.688 15.763 -0.494 81 2HZ LYS 12 2HZ LYS 12 10.529 14.878 0.615 82 3HZ LYS 12 3HZ LYS 12 9.194 15.725 1.077 83 H ASN 13 H ASN 13 5.839 11.724 -4.647 84 HA ASN 13 HA ASN 13 3.766 13.689 -4.807 85 1HB ASN 13 1HB ASN 13 4.622 11.643 -6.880 86 2HB ASN 13 2HB ASN 13 3.790 13.171 -7.171 87 1HD2 ASN 13 2HD2 ASN 13 5.568 14.702 -5.152 88 2HD2 ASN 13 1HD2 ASN 13 7.060 14.864 -6.058 89 H VAL 14 H VAL 14 3.720 10.224 -4.665 90 HA VAL 14 HA VAL 14 0.904 10.085 -5.656 91 HB VAL 14 HB VAL 14 2.990 7.948 -5.058 92 1HG1 VAL 14 1HG1 VAL 14 3.095 7.748 -7.519 93 2HG1 VAL 14 2HG1 VAL 14 3.504 9.398 -7.050 94 3HG1 VAL 14 3HG1 VAL 14 1.895 9.042 -7.694 95 1HG2 VAL 14 1HG2 VAL 14 0.808 6.900 -4.821 96 2HG2 VAL 14 2HG2 VAL 14 0.220 7.703 -6.300 97 3HG2 VAL 14 3HG2 VAL 14 1.482 6.468 -6.400 98 H VAL 15 H VAL 15 2.755 9.129 -2.757 99 HA VAL 15 HA VAL 15 0.286 8.303 -1.375 100 HB VAL 15 HB VAL 15 3.167 8.043 -0.425 101 1HG1 VAL 15 1HG1 VAL 15 1.425 7.858 1.299 102 2HG1 VAL 15 2HG1 VAL 15 0.654 6.553 0.366 103 3HG1 VAL 15 3HG1 VAL 15 2.294 6.356 1.023 104 1HG2 VAL 15 1HG2 VAL 15 2.980 5.686 -1.251 105 2HG2 VAL 15 2HG2 VAL 15 1.476 6.121 -2.081 106 3HG2 VAL 15 3HG2 VAL 15 3.005 6.863 -2.567 107 H LEU 16 H LEU 16 3.130 10.494 -0.766 108 HA LEU 16 HA LEU 16 1.861 11.474 1.669 109 1HB LEU 16 1HB LEU 16 4.108 12.773 0.079 110 2HB LEU 16 2HB LEU 16 3.583 13.195 1.700 111 HG LEU 16 HG LEU 16 4.808 10.521 0.889 112 1HD1 LEU 16 1HD2 LEU 16 5.899 12.781 2.625 113 2HD1 LEU 16 2HD2 LEU 16 6.743 11.287 2.163 114 3HD1 LEU 16 3HD2 LEU 16 6.357 12.509 0.936 115 1HD2 LEU 16 1HD1 LEU 16 3.294 10.122 2.754 116 2HD2 LEU 16 2HD1 LEU 16 4.940 10.185 3.391 117 3HD2 LEU 16 3HD1 LEU 16 3.874 11.585 3.591 118 H GLU 17 HN GLU 17 2.394 13.071 -1.523 119 HA GLU 17 HA GLU 17 0.592 15.262 -0.862 120 1HB GLU 17 2HB GLU 17 1.945 14.425 -3.459 121 2HB GLU 17 1HB GLU 17 1.189 15.984 -3.143 122 1HG GLU 17 2HG GLU 17 2.853 16.510 -1.422 123 2HG GLU 17 1HG GLU 17 3.609 14.923 -1.596 124 H SER 18 H SER 18 -0.952 13.078 -0.473 125 HA SER 18 HA SER 18 -2.377 12.311 -2.929 126 1HB SER 18 1HB SER 18 -3.536 10.819 -1.208 127 2HB SER 18 2HB SER 18 -1.817 10.537 -1.529 128 HG SER 18 HG SER 18 -1.330 11.089 0.427 129 H SER 19 H SER 19 -4.523 12.713 -3.331 130 HA SER 19 HA SER 19 -5.903 14.858 -1.841 131 1HB SER 19 1HB SER 19 -7.456 14.518 -3.876 132 2HB SER 19 2HB SER 19 -5.827 15.142 -4.213 133 HG SER 19 HG SER 19 -6.307 13.406 -5.615 134 H VAL 20 H VAL 20 -6.702 11.807 -3.395 135 HA VAL 20 HA VAL 20 -8.788 11.064 -1.472 136 HB VAL 20 HB VAL 20 -8.640 8.840 -2.794 137 1HG1 VAL 20 1HG1 VAL 20 -7.023 10.445 -4.803 138 2HG1 VAL 20 2HG1 VAL 20 -7.520 8.750 -4.876 139 3HG1 VAL 20 3HG1 VAL 20 -6.305 9.254 -3.696 140 1HG2 VAL 20 1HG2 VAL 20 -10.443 10.263 -3.275 141 2HG2 VAL 20 2HG2 VAL 20 -9.709 9.830 -4.828 142 3HG2 VAL 20 3HG2 VAL 20 -9.408 11.431 -4.147 143 HA PRO 21 HA PRO 21 -6.229 8.541 1.226 144 1HB PRO 21 2HB PRO 21 -8.255 6.388 0.575 145 2HB PRO 21 1HB PRO 21 -7.481 6.719 2.149 146 1HG PRO 21 1HG PRO 21 -9.943 7.602 1.635 147 2HG PRO 21 2HG PRO 21 -8.793 8.800 2.309 148 1HD PRO 21 1HD PRO 21 -9.603 8.417 -0.603 149 2HD PRO 21 2HD PRO 21 -9.444 9.935 0.334 150 H VAL 22 H VAL 22 -4.923 6.610 1.145 151 HA VAL 22 HA VAL 22 -4.421 5.430 -1.528 152 HB VAL 22 HB VAL 22 -2.328 6.556 0.372 153 1HG1 VAL 22 1HG2 VAL 22 -1.563 4.752 -1.119 154 2HG1 VAL 22 2HG2 VAL 22 -2.154 5.652 -2.516 155 3HG1 VAL 22 3HG2 VAL 22 -0.847 6.316 -1.556 156 1HG2 VAL 22 1HG1 VAL 22 -3.470 8.506 -0.388 157 2HG2 VAL 22 2HG1 VAL 22 -2.009 8.344 -1.365 158 3HG2 VAL 22 3HG1 VAL 22 -3.577 7.899 -2.054 159 H LEU 23 H LEU 23 -3.556 3.369 -1.470 160 HA LEU 23 HA LEU 23 -3.048 2.023 1.149 161 1HB LEU 23 2HB LEU 23 -5.228 1.411 0.161 162 2HB LEU 23 1HB LEU 23 -4.465 0.854 -1.303 163 HG LEU 23 HG LEU 23 -3.729 -0.299 1.425 164 1HD1 LEU 23 1HD2 LEU 23 -3.242 -2.348 -0.011 165 2HD1 LEU 23 2HD2 LEU 23 -2.161 -0.998 -0.327 166 3HD1 LEU 23 3HD2 LEU 23 -3.500 -1.342 -1.443 167 1HD2 LEU 23 1HD1 LEU 23 -5.362 -2.108 0.928 168 2HD2 LEU 23 2HD1 LEU 23 -6.135 -0.546 1.203 169 3HD2 LEU 23 3HD1 LEU 23 -5.959 -1.171 -0.457 170 H VAL 24 H VAL 24 -0.779 1.965 1.004 171 HA VAL 24 HA VAL 24 0.463 1.241 -1.653 172 HB VAL 24 HB VAL 24 1.304 3.279 -1.297 173 1HG1 VAL 24 1HG2 VAL 24 0.329 3.958 0.724 174 2HG1 VAL 24 2HG2 VAL 24 2.082 4.133 0.926 175 3HG1 VAL 24 3HG2 VAL 24 1.243 2.753 1.662 176 1HG2 VAL 24 1HG1 VAL 24 3.605 3.085 -0.631 177 2HG2 VAL 24 2HG1 VAL 24 3.287 1.613 0.295 178 3HG2 VAL 24 3HG1 VAL 24 3.129 1.601 -1.477 179 H ASP 25 HN ASP 25 1.018 -0.837 -1.702 180 HA ASP 25 HA ASP 25 1.445 -2.360 0.802 181 1HB ASP 25 1HB ASP 25 0.045 -3.406 -0.891 182 2HB ASP 25 2HB ASP 25 1.311 -3.194 -2.098 183 H PHE 26 H PHE 26 3.497 -2.382 1.673 184 HA PHE 26 HA PHE 26 5.810 -1.759 -0.059 185 1HB PHE 26 1HB PHE 26 5.509 -2.442 2.869 186 2HB PHE 26 2HB PHE 26 7.059 -2.358 2.060 187 HD1 PHE 26 HD1 PHE 26 8.207 -0.328 1.879 188 HD2 PHE 26 HD2 PHE 26 3.943 -0.236 2.571 189 HE1 PHE 26 HE1 PHE 26 8.300 2.121 2.178 190 HE2 PHE 26 HE2 PHE 26 4.044 2.218 2.784 191 HZ PHE 26 HZ PHE 26 6.220 3.399 2.692 192 H TRP 27 H TRP 27 6.401 -3.351 -1.431 193 HA TRP 27 HA TRP 27 6.079 -6.217 -0.619 194 1HB TRP 27 2HB TRP 27 5.386 -6.749 -2.835 195 2HB TRP 27 1HB TRP 27 4.394 -5.409 -2.307 196 HD1 TRP 27 HD1 TRP 27 5.278 -2.946 -3.283 197 HE1 TRP 27 HE1 TRP 27 6.396 -2.309 -5.540 198 HE3 TRP 27 HE3 TRP 27 6.636 -7.633 -4.914 199 HZ2 TRP 27 HZ2 TRP 27 7.652 -3.637 -7.699 200 HZ3 TRP 27 HZ3 TRP 27 7.695 -7.888 -7.116 201 HH2 TRP 27 HH2 TRP 27 8.247 -5.916 -8.505 202 H ALA 28 H ALA 28 7.285 -7.451 -2.667 203 HA ALA 28 HA ALA 28 9.547 -6.270 -3.812 204 1HB ALA 28 1HB ALA 28 10.572 -6.475 -1.515 205 2HB ALA 28 2HB ALA 28 10.183 -8.213 -1.538 206 3HB ALA 28 3HB ALA 28 11.339 -7.535 -2.701 207 HA PRO 29 HA PRO 29 8.494 -9.810 -6.268 208 1HB PRO 29 1HB PRO 29 11.349 -10.359 -6.937 209 2HB PRO 29 2HB PRO 29 9.954 -9.963 -7.996 210 1HG PRO 29 2HG PRO 29 11.968 -8.136 -7.449 211 2HG PRO 29 1HG PRO 29 10.271 -7.680 -7.758 212 1HD PRO 29 1HD PRO 29 11.666 -7.872 -5.084 213 2HD PRO 29 2HD PRO 29 10.456 -6.722 -5.673 214 H TRP 30 H TRP 30 11.355 -10.267 -4.178 215 HA TRP 30 HA TRP 30 11.080 -13.114 -3.920 216 1HB TRP 30 1HB TRP 30 12.571 -12.746 -1.930 217 2HB TRP 30 2HB TRP 30 13.173 -12.189 -3.481 218 HD1 TRP 30 HD1 TRP 30 13.948 -9.760 -3.681 219 HE1 TRP 30 HE1 TRP 30 14.214 -7.790 -2.055 220 HE3 TRP 30 HE3 TRP 30 11.174 -11.569 0.233 221 HZ2 TRP 30 HZ2 TRP 30 13.148 -7.005 0.508 222 HZ3 TRP 30 HZ3 TRP 30 10.767 -10.159 2.221 223 HH2 TRP 30 HH2 TRP 30 11.602 -7.832 2.300 224 H CYS 31 H CYS 31 9.108 -10.544 -2.646 225 HA CYS 31 HA CYS 31 8.454 -11.869 -0.125 226 1HB CYS 31 1HB CYS 31 8.292 -9.400 -0.454 227 2HB CYS 31 2HB CYS 31 7.023 -9.667 -1.619 228 H GLY 32 H GLY 32 7.952 -13.993 -1.031 229 1HA GLY 32 1HA GLY 32 6.125 -14.905 -2.744 230 2HA GLY 32 2HA GLY 32 6.210 -15.584 -1.118 231 HA PRO 33 HA PRO 33 2.180 -14.184 0.088 232 1HB PRO 33 2HB PRO 33 3.295 -11.879 1.660 233 2HB PRO 33 1HB PRO 33 2.020 -13.028 2.123 234 1HG PRO 33 2HG PRO 33 4.581 -13.296 3.052 235 2HG PRO 33 1HG PRO 33 3.648 -14.729 2.551 236 1HD PRO 33 1HD PRO 33 5.792 -13.216 1.042 237 2HD PRO 33 2HD PRO 33 5.506 -14.978 1.099 238 H CYS 34 H CYS 34 4.253 -11.340 -0.489 239 HA CYS 34 HA CYS 34 2.236 -9.470 -1.219 240 1HB CYS 34 1HB CYS 34 4.965 -9.398 -2.358 241 2HB CYS 34 2HB CYS 34 3.813 -8.136 -2.044 242 H ARG 35 HN ARG 35 4.366 -11.700 -3.019 243 HA ARG 35 HA ARG 35 3.719 -11.004 -5.661 244 1HB ARG 35 2HB ARG 35 5.536 -12.581 -4.654 245 2HB ARG 35 1HB ARG 35 4.317 -13.848 -4.774 246 1HG ARG 35 1HG ARG 35 4.073 -13.268 -7.242 247 2HG ARG 35 2HG ARG 35 5.477 -12.199 -7.050 248 1HD ARG 35 1HD ARG 35 5.343 -15.193 -6.554 249 2HD ARG 35 2HD ARG 35 6.207 -14.393 -7.875 250 HE ARG 35 HE ARG 35 7.537 -13.229 -5.978 251 1HH1 ARG 35 1HH2 ARG 35 6.513 -16.635 -5.817 252 2HH1 ARG 35 2HH2 ARG 35 7.661 -17.022 -4.567 253 1HH2 ARG 35 1HH1 ARG 35 8.950 -13.720 -4.455 254 2HH2 ARG 35 2HH1 ARG 35 9.100 -15.312 -3.733 255 H ILE 36 H ILE 36 2.295 -13.552 -3.562 256 HA ILE 36 HA ILE 36 0.368 -14.281 -5.602 257 HB ILE 36 HB ILE 36 -0.737 -15.626 -3.910 258 1HG1 ILE 36 1HG1 ILE 36 1.325 -14.652 -1.917 259 2HG1 ILE 36 2HG1 ILE 36 -0.337 -14.023 -1.961 260 1HG2 ILE 36 1HG2 ILE 36 1.311 -16.380 -5.145 261 2HG2 ILE 36 2HG2 ILE 36 2.317 -15.838 -3.792 262 3HG2 ILE 36 3HG2 ILE 36 1.155 -17.157 -3.566 263 1HD1 ILE 36 1HD1 ILE 36 -1.227 -16.266 -1.603 264 2HD1 ILE 36 2HD1 ILE 36 -0.200 -15.681 -0.276 265 3HD1 ILE 36 3HD1 ILE 36 0.439 -16.885 -1.416 266 H ILE 37 H ILE 37 0.068 -12.021 -2.777 267 HA ILE 37 HA ILE 37 -2.716 -11.518 -3.516 268 HB ILE 37 HB ILE 37 -2.751 -9.739 -1.933 269 1HG1 ILE 37 1HG1 ILE 37 0.235 -10.109 -1.657 270 2HG1 ILE 37 2HG1 ILE 37 -0.560 -8.699 -2.351 271 1HG2 ILE 37 1HG2 ILE 37 -2.852 -12.165 -1.228 272 2HG2 ILE 37 2HG2 ILE 37 -2.367 -11.050 0.050 273 3HG2 ILE 37 3HG2 ILE 37 -1.146 -12.050 -0.756 274 1HD1 ILE 37 1HD1 ILE 37 -1.680 -8.295 -0.141 275 2HD1 ILE 37 2HD1 ILE 37 0.088 -8.140 -0.121 276 3HD1 ILE 37 3HD1 ILE 37 -0.671 -9.589 0.552 277 H ALA 38 H ALA 38 0.338 -10.039 -4.589 278 HA ALA 38 HA ALA 38 -0.245 -7.634 -5.473 279 1HB ALA 38 1HB ALA 38 1.234 -7.964 -7.405 280 2HB ALA 38 2HB ALA 38 1.878 -8.738 -5.954 281 3HB ALA 38 3HB ALA 38 1.128 -9.717 -7.229 282 HA PRO 39 HA PRO 39 -2.650 -8.798 -9.511 283 1HB PRO 39 2HB PRO 39 -4.059 -11.320 -8.758 284 2HB PRO 39 1HB PRO 39 -3.291 -10.888 -10.308 285 1HG PRO 39 1HG PRO 39 -2.134 -12.702 -8.621 286 2HG PRO 39 2HG PRO 39 -1.130 -11.494 -9.484 287 1HD PRO 39 1HD PRO 39 -2.269 -11.271 -6.677 288 2HD PRO 39 2HD PRO 39 -0.563 -11.125 -7.179 289 H VAL 40 H VAL 40 -3.756 -9.839 -6.320 290 HA VAL 40 HA VAL 40 -6.522 -9.067 -6.589 291 HB VAL 40 HB VAL 40 -5.018 -9.402 -3.977 292 1HG1 VAL 40 1HG1 VAL 40 -7.186 -10.111 -3.195 293 2HG1 VAL 40 2HG1 VAL 40 -7.861 -10.040 -4.836 294 3HG1 VAL 40 3HG1 VAL 40 -7.360 -8.542 -4.025 295 1HG2 VAL 40 1HG2 VAL 40 -6.159 -11.591 -5.782 296 2HG2 VAL 40 2HG2 VAL 40 -4.463 -11.440 -5.281 297 3HG2 VAL 40 3HG2 VAL 40 -5.700 -11.811 -4.082 298 H VAL 41 H VAL 41 -3.520 -7.713 -5.166 299 HA VAL 41 HA VAL 41 -4.556 -5.214 -4.272 300 HB VAL 41 HB VAL 41 -1.761 -5.767 -5.373 301 1HG1 VAL 41 1HG1 VAL 41 -2.331 -7.328 -3.487 302 2HG1 VAL 41 2HG1 VAL 41 -1.069 -6.178 -3.069 303 3HG1 VAL 41 3HG1 VAL 41 -2.728 -5.930 -2.485 304 1HG2 VAL 41 1HG2 VAL 41 -2.193 -3.356 -5.140 305 2HG2 VAL 41 2HG2 VAL 41 -1.073 -3.902 -3.892 306 3HG2 VAL 41 3HG2 VAL 41 -2.765 -3.610 -3.474 307 H ASP 42 HN ASP 42 -3.286 -6.227 -7.485 308 HA ASP 42 HA ASP 42 -3.537 -3.717 -8.783 309 1HB ASP 42 1HB ASP 42 -3.813 -6.534 -9.919 310 2HB ASP 42 2HB ASP 42 -3.801 -5.080 -10.881 311 H GLU 43 HN GLU 43 -5.943 -6.450 -9.034 312 HA GLU 43 HA GLU 43 -7.856 -4.828 -10.324 313 1HB GLU 43 1HB GLU 43 -9.427 -6.582 -9.863 314 2HB GLU 43 2HB GLU 43 -7.876 -7.265 -10.372 315 1HG GLU 43 1HG GLU 43 -7.332 -7.726 -8.017 316 2HG GLU 43 2HG GLU 43 -8.873 -7.065 -7.464 317 H ILE 44 H ILE 44 -7.274 -5.207 -6.809 318 HA ILE 44 HA ILE 44 -9.649 -4.132 -5.841 319 HB ILE 44 HB ILE 44 -6.781 -4.085 -4.955 320 1HG1 ILE 44 1HG1 ILE 44 -8.457 -6.028 -4.671 321 2HG1 ILE 44 2HG1 ILE 44 -7.526 -5.459 -3.280 322 1HG2 ILE 44 1HG2 ILE 44 -7.428 -1.892 -4.230 323 2HG2 ILE 44 2HG2 ILE 44 -8.991 -2.516 -3.640 324 3HG2 ILE 44 3HG2 ILE 44 -7.470 -2.982 -2.834 325 1HD1 ILE 44 1HD1 ILE 44 -9.431 -4.402 -2.287 326 2HD1 ILE 44 2HD1 ILE 44 -9.934 -6.016 -2.798 327 3HD1 ILE 44 3HD1 ILE 44 -10.401 -4.603 -3.758 328 H ALA 45 H ALA 45 -7.038 -2.388 -7.587 329 HA ALA 45 HA ALA 45 -7.925 0.258 -6.949 330 1HB ALA 45 1HB ALA 45 -6.722 -0.800 -9.536 331 2HB ALA 45 2HB ALA 45 -5.802 -0.304 -8.104 332 3HB ALA 45 3HB ALA 45 -6.752 0.896 -9.006 333 H GLY 46 H GLY 46 -9.167 -2.191 -9.222 334 1HA GLY 46 2HA GLY 46 -10.895 -0.371 -10.719 335 2HA GLY 46 1HA GLY 46 -10.823 -2.143 -10.808 336 H GLU 47 HN GLU 47 -10.972 -2.295 -7.755 337 HA GLU 47 HA GLU 47 -13.890 -2.257 -7.514 338 1HB GLU 47 2HB GLU 47 -11.813 -2.725 -5.332 339 2HB GLU 47 1HB GLU 47 -13.547 -3.024 -5.296 340 1HG GLU 47 2HG GLU 47 -13.195 -4.627 -7.274 341 2HG GLU 47 1HG GLU 47 -11.476 -4.436 -7.047 342 H TYR 48 H TYR 48 -11.158 -0.541 -6.001 343 HA TYR 48 HA TYR 48 -12.974 1.360 -4.721 344 1HB TYR 48 1HB TYR 48 -9.921 1.172 -4.660 345 2HB TYR 48 2HB TYR 48 -10.853 2.427 -3.898 346 HD1 TYR 48 HD1 TYR 48 -12.935 1.667 -2.402 347 HD2 TYR 48 HD2 TYR 48 -9.210 -0.306 -3.011 348 HE1 TYR 48 HE1 TYR 48 -13.574 0.005 -0.665 349 HE2 TYR 48 HE2 TYR 48 -9.798 -2.000 -1.232 350 HH TYR 48 HH TYR 48 -13.005 -2.014 0.343 351 H LYS 49 HN LYS 49 -13.737 1.686 -6.952 352 HA LYS 49 HA LYS 49 -12.706 3.987 -8.436 353 1HB LYS 49 1HB LYS 49 -15.482 2.748 -8.164 354 2HB LYS 49 2HB LYS 49 -15.082 4.064 -9.285 355 1HG LYS 49 1HG LYS 49 -13.495 2.668 -10.481 356 2HG LYS 49 2HG LYS 49 -13.663 1.366 -9.316 357 1HD LYS 49 2HD LYS 49 -15.831 2.372 -11.215 358 2HD LYS 49 1HD LYS 49 -14.892 0.881 -11.373 359 1HE LYS 49 2HE LYS 49 -17.003 1.502 -9.258 360 2HE LYS 49 1HE LYS 49 -17.047 0.284 -10.534 361 1HZ LYS 49 1HZ LYS 49 -15.294 0.287 -8.178 362 2HZ LYS 49 2HZ LYS 49 -16.503 -0.768 -8.532 363 3HZ LYS 49 3HZ LYS 49 -15.118 -0.750 -9.435 364 H ASP 50 HN ASP 50 -14.822 3.079 -5.760 365 HA ASP 50 HA ASP 50 -15.312 5.736 -4.694 366 1HB ASP 50 1HB ASP 50 -15.024 3.301 -3.065 367 2HB ASP 50 2HB ASP 50 -16.051 4.711 -2.792 368 H LYS 51 HN LYS 51 -13.462 6.298 -4.771 369 HA LYS 51 HA LYS 51 -11.234 5.531 -5.126 370 1HB LYS 51 1HB LYS 51 -11.575 7.949 -3.543 371 2HB LYS 51 2HB LYS 51 -10.021 7.586 -4.306 372 1HG LYS 51 1HG LYS 51 -12.580 7.744 -6.003 373 2HG LYS 51 2HG LYS 51 -11.766 9.211 -5.540 374 1HD LYS 51 1HD LYS 51 -11.113 8.512 -7.771 375 2HD LYS 51 2HD LYS 51 -9.713 8.555 -6.696 376 1HE LYS 51 1HE LYS 51 -9.663 6.128 -6.545 377 2HE LYS 51 2HE LYS 51 -11.206 5.998 -7.425 378 1HZ LYS 51 1HZ LYS 51 -8.696 7.059 -8.500 379 2HZ LYS 51 2HZ LYS 51 -10.121 6.931 -9.320 380 3HZ LYS 51 3HZ LYS 51 -9.340 5.574 -8.808 381 H LEU 52 H LEU 52 -10.138 4.351 -4.317 382 HA LEU 52 HA LEU 52 -8.423 5.116 -1.985 383 1HB LEU 52 1HB LEU 52 -9.832 3.017 -1.511 384 2HB LEU 52 2HB LEU 52 -8.868 2.187 -2.761 385 HG LEU 52 HG LEU 52 -6.834 2.454 -1.463 386 1HD1 LEU 52 1HD1 LEU 52 -7.162 3.500 0.897 387 2HD1 LEU 52 2HD1 LEU 52 -7.062 4.582 -0.490 388 3HD1 LEU 52 3HD1 LEU 52 -8.658 4.190 0.209 389 1HD2 LEU 52 1HD2 LEU 52 -7.527 1.203 0.615 390 2HD2 LEU 52 2HD2 LEU 52 -8.175 0.512 -0.874 391 3HD2 LEU 52 3HD2 LEU 52 -9.221 1.485 0.188 392 H LYS 53 HN LYS 53 -6.195 5.562 -2.617 393 HA LYS 53 HA LYS 53 -5.676 4.944 -5.442 394 1HB LYS 53 2HB LYS 53 -5.186 7.132 -3.933 395 2HB LYS 53 1HB LYS 53 -3.684 6.302 -3.681 396 1HG LYS 53 2HG LYS 53 -4.840 6.934 -6.414 397 2HG LYS 53 1HG LYS 53 -3.569 7.839 -5.578 398 1HD LYS 53 2HD LYS 53 -2.108 5.834 -5.567 399 2HD LYS 53 1HD LYS 53 -3.345 4.911 -6.447 400 1HE LYS 53 1HE LYS 53 -3.220 6.504 -8.335 401 2HE LYS 53 2HE LYS 53 -1.991 7.446 -7.470 402 1HZ LYS 53 1HZ LYS 53 -1.720 4.647 -8.315 403 2HZ LYS 53 2HZ LYS 53 -1.025 5.950 -9.046 404 3HZ LYS 53 3HZ LYS 53 -0.575 5.527 -7.519 405 H CYS 54 H CYS 54 -5.477 2.701 -5.435 406 HA CYS 54 HA CYS 54 -3.867 1.337 -3.457 407 1HB CYS 54 1HB CYS 54 -5.839 0.340 -4.609 408 2HB CYS 54 2HB CYS 54 -4.881 0.290 -6.112 409 HG CYS 54 HG CYS 54 -4.799 -2.050 -5.154 410 H VAL 55 H VAL 55 -1.686 0.881 -3.498 411 HA VAL 55 HA VAL 55 -0.190 0.954 -6.017 412 HB VAL 55 HB VAL 55 1.448 2.553 -4.398 413 1HG1 VAL 55 1HG1 VAL 55 0.273 4.455 -3.653 414 2HG1 VAL 55 2HG1 VAL 55 -1.274 3.849 -4.257 415 3HG1 VAL 55 3HG1 VAL 55 -0.488 3.068 -2.864 416 1HG2 VAL 55 1HG2 VAL 55 -0.469 3.283 -6.631 417 2HG2 VAL 55 2HG2 VAL 55 1.221 2.751 -6.756 418 3HG2 VAL 55 3HG2 VAL 55 0.836 4.323 -6.040 419 H LYS 56 HN LYS 56 2.209 0.642 -5.559 420 HA LYS 56 HA LYS 56 2.673 -1.314 -3.384 421 1HB LYS 56 1HB LYS 56 2.312 -1.727 -6.292 422 2HB LYS 56 2HB LYS 56 3.796 -2.446 -5.685 423 1HG LYS 56 2HG LYS 56 2.581 -3.657 -3.940 424 2HG LYS 56 1HG LYS 56 1.055 -2.892 -4.428 425 1HD LYS 56 2HD LYS 56 2.725 -4.758 -6.176 426 2HD LYS 56 1HD LYS 56 1.328 -5.240 -5.197 427 1HE LYS 56 2HE LYS 56 -0.073 -3.544 -6.483 428 2HE LYS 56 1HE LYS 56 1.310 -3.321 -7.569 429 1HZ LYS 56 1HZ LYS 56 1.199 -5.682 -8.037 430 2HZ LYS 56 2HZ LYS 56 -0.186 -4.891 -8.447 431 3HZ LYS 56 3HZ LYS 56 -0.152 -5.826 -7.098 432 H LEU 57 H LEU 57 4.513 -0.665 -2.344 433 HA LEU 57 HA LEU 57 6.591 0.820 -3.910 434 1HB LEU 57 1HB LEU 57 5.636 1.863 -1.789 435 2HB LEU 57 2HB LEU 57 6.558 0.649 -0.892 436 HG LEU 57 HG LEU 57 8.091 2.235 -2.898 437 1HD1 LEU 57 1HD2 LEU 57 8.575 0.992 -0.148 438 2HD1 LEU 57 2HD2 LEU 57 9.673 2.143 -0.865 439 3HD1 LEU 57 3HD2 LEU 57 9.363 0.598 -1.677 440 1HD2 LEU 57 1HD1 LEU 57 6.769 3.959 -1.830 441 2HD2 LEU 57 2HD1 LEU 57 7.148 3.316 -0.215 442 3HD2 LEU 57 3HD1 LEU 57 8.424 4.032 -1.227 443 H ASN 58 H ASN 58 8.361 -0.274 -4.556 444 HA ASN 58 HA ASN 58 8.941 -2.872 -3.804 445 1HB ASN 58 2HB ASN 58 9.415 -1.531 -5.939 446 2HB ASN 58 1HB ASN 58 10.753 -0.759 -5.081 447 1HD2 ASN 58 1HD2 ASN 58 9.580 -3.525 -6.709 448 2HD2 ASN 58 2HD2 ASN 58 10.817 -4.650 -6.248 449 H THR 59 H THR 59 9.641 -3.418 -1.771 450 HA THR 59 HA THR 59 11.312 -1.646 -0.166 451 HB THR 59 HB THR 59 10.549 -4.502 0.491 452 HG1 THR 59 HG1 THR 59 8.650 -3.616 -0.173 453 1HG2 THR 59 1HG2 THR 59 10.372 -3.592 2.778 454 2HG2 THR 59 2HG2 THR 59 10.733 -1.967 2.172 455 3HG2 THR 59 3HG2 THR 59 11.978 -3.234 2.121 456 H ASP 60 HN ASP 60 12.684 -2.273 -2.523 457 HA ASP 60 HA ASP 60 15.099 -3.542 -1.405 458 1HB ASP 60 1HB ASP 60 13.579 -5.308 -2.538 459 2HB ASP 60 2HB ASP 60 13.993 -4.542 -4.067 460 H GLU 61 HN GLU 61 13.501 -2.280 -4.293 461 HA GLU 61 HA GLU 61 15.733 -0.637 -5.210 462 1HB GLU 61 2HB GLU 61 14.159 -1.766 -6.737 463 2HB GLU 61 1HB GLU 61 12.805 -0.886 -6.016 464 1HG GLU 61 2HG GLU 61 13.674 1.248 -6.872 465 2HG GLU 61 1HG GLU 61 15.091 0.407 -7.523 466 H SER 62 H SER 62 13.052 -0.276 -2.966 467 HA SER 62 HA SER 62 13.750 2.558 -2.543 468 1HB SER 62 2HB SER 62 11.057 1.340 -3.265 469 2HB SER 62 1HB SER 62 11.091 2.816 -2.343 470 HG SER 62 HG SER 62 12.921 2.694 -4.465 471 HA PRO 63 HA PRO 63 13.597 0.177 1.398 472 1HB PRO 63 1HB PRO 63 16.233 0.302 2.041 473 2HB PRO 63 2HB PRO 63 15.589 -0.958 0.939 474 1HG PRO 63 1HG PRO 63 16.958 1.655 0.217 475 2HG PRO 63 2HG PRO 63 17.276 0.026 -0.449 476 1HD PRO 63 2HD PRO 63 15.653 1.775 -1.770 477 2HD PRO 63 1HD PRO 63 15.256 0.064 -1.696 478 H ASN 64 H ASN 64 15.059 3.126 0.217 479 HA ASN 64 HA ASN 64 15.751 4.585 2.479 480 1HB ASN 64 1HB ASN 64 14.303 5.573 -0.014 481 2HB ASN 64 2HB ASN 64 15.071 6.623 1.187 482 1HD2 ASN 64 2HD2 ASN 64 15.765 6.468 -1.702 483 2HD2 ASN 64 1HD2 ASN 64 17.428 5.918 -1.705 484 H VAL 65 H VAL 65 12.555 4.984 0.981 485 HA VAL 65 HA VAL 65 11.354 6.224 3.217 486 HB VAL 65 HB VAL 65 10.332 4.747 0.765 487 1HG1 VAL 65 1HG2 VAL 65 8.597 4.430 2.498 488 2HG1 VAL 65 2HG2 VAL 65 8.614 6.180 2.819 489 3HG1 VAL 65 3HG2 VAL 65 8.092 5.550 1.237 490 1HG2 VAL 65 1HG1 VAL 65 11.454 6.954 0.513 491 2HG2 VAL 65 2HG1 VAL 65 9.719 7.093 0.151 492 3HG2 VAL 65 3HG1 VAL 65 10.358 7.660 1.705 493 H ALA 66 H ALA 66 11.485 2.813 2.241 494 HA ALA 66 HA ALA 66 9.780 1.814 4.228 495 1HB ALA 66 1HB ALA 66 10.853 -0.340 3.862 496 2HB ALA 66 2HB ALA 66 10.775 0.506 2.304 497 3HB ALA 66 3HB ALA 66 12.301 0.425 3.219 498 H SER 67 H SER 67 13.241 2.631 4.463 499 HA SER 67 HA SER 67 13.588 1.646 7.156 500 1HB SER 67 1HB SER 67 15.223 3.713 5.611 501 2HB SER 67 2HB SER 67 15.715 2.835 7.070 502 HG SER 67 HG SER 67 15.087 1.701 4.535 503 H GLU 68 HN GLU 68 12.965 4.832 5.695 504 HA GLU 68 HA GLU 68 13.011 6.412 8.049 505 1HB GLU 68 2HB GLU 68 11.332 6.684 5.523 506 2HB GLU 68 1HB GLU 68 11.454 7.928 6.763 507 1HG GLU 68 1HG GLU 68 13.761 8.317 6.349 508 2HG GLU 68 2HG GLU 68 13.955 6.835 5.415 509 H TYR 69 H TYR 69 10.262 4.637 6.558 510 HA TYR 69 HA TYR 69 8.451 5.379 8.744 511 1HB TYR 69 2HB TYR 69 8.273 3.697 6.239 512 2HB TYR 69 1HB TYR 69 7.087 3.491 7.514 513 HD1 TYR 69 HD1 TYR 69 8.570 6.012 5.192 514 HD2 TYR 69 HD2 TYR 69 5.446 5.210 8.045 515 HE1 TYR 69 HE1 TYR 69 7.587 8.238 4.742 516 HE2 TYR 69 HE2 TYR 69 4.476 7.439 7.611 517 HH TYR 69 HH TYR 69 4.758 9.480 6.513 518 H GLY 70 H GLY 70 10.494 2.570 7.997 519 1HA GLY 70 1HA GLY 70 11.376 1.155 9.667 520 2HA GLY 70 2HA GLY 70 10.109 1.653 10.796 521 H ILE 71 H ILE 71 10.188 0.328 7.491 522 HA ILE 71 HA ILE 71 7.847 -1.322 7.867 523 HB ILE 71 HB ILE 71 10.016 -1.222 5.744 524 1HG1 ILE 71 1HG1 ILE 71 8.629 0.861 6.038 525 2HG1 ILE 71 2HG1 ILE 71 8.467 0.069 4.464 526 1HG2 ILE 71 1HG2 ILE 71 9.044 -3.370 5.473 527 2HG2 ILE 71 2HG2 ILE 71 7.409 -2.770 5.816 528 3HG2 ILE 71 3HG2 ILE 71 8.229 -2.343 4.295 529 1HD1 ILE 71 1HD1 ILE 71 6.283 -0.839 5.123 530 2HD1 ILE 71 2HD1 ILE 71 6.451 -0.074 6.725 531 3HD1 ILE 71 3HD1 ILE 71 6.337 0.921 5.271 532 H ARG 72 HN ARG 72 8.191 -2.549 9.683 533 HA ARG 72 HA ARG 72 10.450 -4.327 9.964 534 1HB ARG 72 1HB ARG 72 9.214 -3.400 11.859 535 2HB ARG 72 2HB ARG 72 7.748 -4.274 11.379 536 1HG ARG 72 1HG ARG 72 8.808 -6.423 11.810 537 2HG ARG 72 2HG ARG 72 10.391 -5.657 12.028 538 1HD ARG 72 2HD ARG 72 9.529 -4.467 14.028 539 2HD ARG 72 1HD ARG 72 7.933 -5.221 13.780 540 HE ARG 72 HE ARG 72 9.875 -7.276 13.900 541 1HH1 ARG 72 1HH1 ARG 72 8.416 -4.856 16.011 542 2HH1 ARG 72 2HH1 ARG 72 8.629 -5.782 17.472 543 1HH2 ARG 72 2HH2 ARG 72 10.166 -8.509 15.795 544 2HH2 ARG 72 1HH2 ARG 72 9.645 -7.903 17.343 545 H SER 73 H SER 73 10.322 -5.176 7.827 546 HA SER 73 HA SER 73 10.241 -7.047 6.514 547 1HB SER 73 2HB SER 73 9.882 -8.456 8.569 548 2HB SER 73 1HB SER 73 8.130 -8.260 8.364 549 HG SER 73 HG SER 73 8.921 -10.160 7.348 550 H ILE 74 H ILE 74 8.161 -8.399 5.473 551 HA ILE 74 HA ILE 74 6.051 -6.514 4.756 552 HB ILE 74 HB ILE 74 6.597 -6.800 2.268 553 1HG1 ILE 74 1HG1 ILE 74 9.372 -7.552 3.192 554 2HG1 ILE 74 2HG1 ILE 74 8.183 -8.694 2.538 555 1HG2 ILE 74 1HG2 ILE 74 7.029 -4.718 3.670 556 2HG2 ILE 74 2HG2 ILE 74 8.009 -4.880 2.219 557 3HG2 ILE 74 3HG2 ILE 74 8.720 -5.257 3.796 558 1HD1 ILE 74 1HD1 ILE 74 7.955 -7.218 0.505 559 2HD1 ILE 74 2HD1 ILE 74 9.340 -6.278 1.102 560 3HD1 ILE 74 3HD1 ILE 74 9.530 -7.977 0.688 561 HA PRO 75 HA PRO 75 4.456 -6.885 2.550 562 1HB PRO 75 1HB PRO 75 1.771 -7.400 2.886 563 2HB PRO 75 2HB PRO 75 2.793 -8.025 1.586 564 1HG PRO 75 1HG PRO 75 1.952 -9.340 4.166 565 2HG PRO 75 2HG PRO 75 2.034 -10.098 2.555 566 1HD PRO 75 2HD PRO 75 3.977 -10.415 4.501 567 2HD PRO 75 1HD PRO 75 4.414 -10.389 2.778 568 H THR 76 H THR 76 3.882 -5.019 3.232 569 HA THR 76 HA THR 76 2.699 -4.552 5.907 570 HB THR 76 HB THR 76 5.317 -3.360 4.956 571 HG1 THR 76 HG1 THR 76 6.066 -4.688 6.424 572 1HG2 THR 76 1HG2 THR 76 3.391 -2.470 7.150 573 2HG2 THR 76 2HG2 THR 76 4.065 -1.498 5.832 574 3HG2 THR 76 3HG2 THR 76 5.116 -2.056 7.150 575 H ILE 77 H ILE 77 0.831 -3.970 5.059 576 HA ILE 77 HA ILE 77 0.694 -2.149 2.726 577 HB ILE 77 HB ILE 77 -1.353 -3.808 4.234 578 1HG1 ILE 77 1HG1 ILE 77 -0.347 -3.879 1.356 579 2HG1 ILE 77 2HG1 ILE 77 0.285 -4.918 2.638 580 1HG2 ILE 77 1HG2 ILE 77 -2.425 -1.693 3.555 581 2HG2 ILE 77 2HG2 ILE 77 -1.728 -1.846 1.931 582 3HG2 ILE 77 3HG2 ILE 77 -2.972 -2.987 2.497 583 1HD1 ILE 77 1HD1 ILE 77 -2.531 -4.964 1.528 584 2HD1 ILE 77 2HD1 ILE 77 -1.967 -5.893 2.951 585 3HD1 ILE 77 3HD1 ILE 77 -1.261 -6.181 1.350 586 H MET 78 H MET 78 0.933 -0.088 3.140 587 HA MET 78 HA MET 78 0.096 0.999 5.795 588 1HB MET 78 1HB MET 78 1.898 2.050 3.600 589 2HB MET 78 2HB MET 78 1.318 3.015 4.979 590 1HG MET 78 1HG MET 78 3.007 0.514 5.262 591 2HG MET 78 2HG MET 78 3.605 2.176 5.223 592 1HE MET 78 1HE MET 78 4.215 1.641 8.943 593 2HE MET 78 2HE MET 78 4.411 0.381 7.709 594 3HE MET 78 3HE MET 78 4.903 2.061 7.357 595 H VAL 79 H VAL 79 -1.388 2.649 5.832 596 HA VAL 79 HA VAL 79 -2.815 3.246 3.266 597 HB VAL 79 HB VAL 79 -3.979 3.153 6.057 598 1HG1 VAL 79 1HG1 VAL 79 -4.472 1.305 3.685 599 2HG1 VAL 79 2HG1 VAL 79 -3.571 0.872 5.153 600 3HG1 VAL 79 3HG1 VAL 79 -5.291 1.237 5.259 601 1HG2 VAL 79 1HG2 VAL 79 -6.134 3.593 4.976 602 2HG2 VAL 79 2HG2 VAL 79 -5.019 4.907 4.604 603 3HG2 VAL 79 3HG2 VAL 79 -5.355 3.666 3.388 604 H PHE 80 H PHE 80 -2.937 5.451 2.820 605 HA PHE 80 HA PHE 80 -2.083 7.390 4.920 606 1HB PHE 80 1HB PHE 80 -0.986 7.229 2.088 607 2HB PHE 80 2HB PHE 80 -0.855 8.646 3.107 608 HD1 PHE 80 HD1 PHE 80 0.875 8.881 4.720 609 HD2 PHE 80 HD2 PHE 80 0.186 5.078 2.812 610 HE1 PHE 80 HE1 PHE 80 2.999 8.041 5.633 611 HE2 PHE 80 HE2 PHE 80 2.454 4.340 3.517 612 HZ PHE 80 HZ PHE 80 3.762 5.705 5.104 613 H LYS 81 HN LYS 81 -2.789 9.577 4.417 614 HA LYS 81 HA LYS 81 -4.779 9.978 2.320 615 1HB LYS 81 1HB LYS 81 -6.721 10.173 3.686 616 2HB LYS 81 2HB LYS 81 -6.034 8.588 3.968 617 1HG LYS 81 2HG LYS 81 -6.339 10.900 5.837 618 2HG LYS 81 1HG LYS 81 -6.707 9.196 6.064 619 1HD LYS 81 1HD LYS 81 -4.185 8.775 6.135 620 2HD LYS 81 2HD LYS 81 -3.956 10.524 6.177 621 1HE LYS 81 2HE LYS 81 -5.549 8.919 8.229 622 2HE LYS 81 1HE LYS 81 -3.899 9.529 8.439 623 1HZ LYS 81 1HZ LYS 81 -4.754 11.747 8.160 624 2HZ LYS 81 2HZ LYS 81 -5.478 10.982 9.429 625 3HZ LYS 81 3HZ LYS 81 -6.291 11.172 8.009 626 H GLY 82 H GLY 82 -3.113 11.656 1.898 627 1HA GLY 82 2HA GLY 82 -2.853 13.994 1.937 628 2HA GLY 82 1HA GLY 82 -3.890 14.043 3.388 629 H GLY 83 H GLY 83 -0.629 12.919 2.378 630 1HA GLY 83 2HA GLY 83 1.399 13.162 3.396 631 2HA GLY 83 1HA GLY 83 0.669 14.277 4.541 632 H LYS 84 HN LYS 84 -1.054 12.874 5.941 633 HA LYS 84 HA LYS 84 0.721 11.328 7.639 634 1HB LYS 84 2HB LYS 84 -2.249 11.832 7.985 635 2HB LYS 84 1HB LYS 84 -1.083 11.424 9.243 636 1HG LYS 84 2HG LYS 84 -1.176 14.031 7.644 637 2HG LYS 84 1HG LYS 84 -1.666 13.797 9.326 638 1HD LYS 84 2HD LYS 84 0.694 13.104 9.882 639 2HD LYS 84 1HD LYS 84 1.177 13.513 8.227 640 1HE LYS 84 1HE LYS 84 -0.044 15.449 10.250 641 2HE LYS 84 2HE LYS 84 1.668 15.344 9.812 642 1HZ LYS 84 1HZ LYS 84 1.071 15.916 7.568 643 2HZ LYS 84 2HZ LYS 84 0.588 17.083 8.627 644 3HZ LYS 84 3HZ LYS 84 -0.518 16.046 7.984 645 H LYS 85 HN LYS 85 0.239 9.380 8.563 646 HA LYS 85 HA LYS 85 -0.618 7.276 6.685 647 1HB LYS 85 2HB LYS 85 1.624 7.213 7.800 648 2HB LYS 85 1HB LYS 85 0.818 7.192 9.360 649 1HG LYS 85 1HG LYS 85 -0.395 5.016 8.059 650 2HG LYS 85 2HG LYS 85 1.192 5.060 7.318 651 1HD LYS 85 1HD LYS 85 1.560 3.674 9.118 652 2HD LYS 85 2HD LYS 85 2.090 5.204 9.806 653 1HE LYS 85 1HE LYS 85 -0.665 3.892 10.177 654 2HE LYS 85 2HE LYS 85 0.660 3.837 11.345 655 1HZ LYS 85 1HZ LYS 85 0.500 6.211 11.544 656 2HZ LYS 85 2HZ LYS 85 -0.927 5.479 11.921 657 3HZ LYS 85 3HZ LYS 85 -0.762 6.261 10.487 658 H CYS 86 H CYS 86 -2.493 6.194 7.043 659 HA CYS 86 HA CYS 86 -4.227 6.889 9.342 660 1HB CYS 86 2HB CYS 86 -5.096 6.822 6.958 661 2HB CYS 86 1HB CYS 86 -4.792 5.090 6.944 662 HG CYS 86 HG CYS 86 -7.105 4.858 7.501 663 H GLU 87 HN GLU 87 -3.031 3.980 7.652 664 HA GLU 87 HA GLU 87 -3.086 2.400 10.198 665 1HB GLU 87 2HB GLU 87 -4.170 1.495 7.508 666 2HB GLU 87 1HB GLU 87 -4.096 0.501 8.946 667 1HG GLU 87 2HG GLU 87 -5.911 1.445 9.918 668 2HG GLU 87 1HG GLU 87 -5.668 3.041 9.226 669 H THR 88 H THR 88 -2.015 0.314 9.968 670 HA THR 88 HA THR 88 -0.035 -0.070 7.857 671 HB THR 88 HB THR 88 1.162 1.205 9.612 672 HG1 THR 88 HG1 THR 88 2.207 -0.501 8.472 673 1HG2 THR 88 1HG2 THR 88 -0.187 0.518 11.611 674 2HG2 THR 88 2HG2 THR 88 1.564 0.361 11.822 675 3HG2 THR 88 3HG2 THR 88 0.589 -1.082 11.535 676 H ILE 89 H ILE 89 -0.340 -2.188 7.248 677 HA ILE 89 HA ILE 89 -1.410 -4.137 9.263 678 HB ILE 89 HB ILE 89 -2.169 -3.871 6.326 679 1HG1 ILE 89 2HG1 ILE 89 -3.792 -3.283 8.847 680 2HG1 ILE 89 1HG1 ILE 89 -3.153 -2.068 7.731 681 1HG2 ILE 89 1HG2 ILE 89 -2.119 -6.221 7.190 682 2HG2 ILE 89 2HG2 ILE 89 -3.760 -5.691 6.848 683 3HG2 ILE 89 3HG2 ILE 89 -3.185 -5.738 8.525 684 1HD1 ILE 89 1HD1 ILE 89 -4.503 -3.025 5.889 685 2HD1 ILE 89 2HD1 ILE 89 -5.300 -4.092 7.078 686 3HD1 ILE 89 3HD1 ILE 89 -5.443 -2.335 7.225 687 H ILE 90 H ILE 90 0.360 -5.284 9.721 688 HA ILE 90 HA ILE 90 2.351 -5.947 7.629 689 HB ILE 90 HB ILE 90 2.501 -6.137 10.666 690 1HG1 ILE 90 1HG1 ILE 90 3.570 -4.040 8.735 691 2HG1 ILE 90 2HG1 ILE 90 2.306 -3.791 9.946 692 1HG2 ILE 90 1HG2 ILE 90 4.020 -7.724 9.474 693 2HG2 ILE 90 2HG2 ILE 90 4.927 -6.462 10.280 694 3HG2 ILE 90 3HG2 ILE 90 4.673 -6.375 8.525 695 1HD1 ILE 90 1HD1 ILE 90 5.254 -4.270 10.468 696 2HD1 ILE 90 2HD1 ILE 90 3.999 -4.339 11.735 697 3HD1 ILE 90 3HD1 ILE 90 4.280 -2.839 10.827 698 H GLY 91 H GLY 91 2.649 -8.035 6.994 699 1HA GLY 91 2HA GLY 91 2.902 -10.356 7.561 700 2HA GLY 91 1HA GLY 91 1.506 -10.279 8.639 701 H ALA 92 H ALA 92 1.891 -12.193 6.569 702 HA ALA 92 HA ALA 92 0.459 -11.587 4.177 703 1HB ALA 92 1HB ALA 92 2.213 -13.338 4.456 704 2HB ALA 92 2HB ALA 92 1.125 -14.248 5.518 705 3HB ALA 92 3HB ALA 92 0.698 -14.012 3.813 706 H VAL 93 H VAL 93 -1.360 -10.616 5.938 707 HA VAL 93 HA VAL 93 -3.382 -12.692 6.531 708 HB VAL 93 HB VAL 93 -4.731 -10.878 7.381 709 1HG1 VAL 93 1HG2 VAL 93 -2.479 -8.978 6.581 710 2HG1 VAL 93 2HG2 VAL 93 -4.093 -9.085 5.847 711 3HG1 VAL 93 3HG2 VAL 93 -3.921 -8.573 7.531 712 1HG2 VAL 93 1HG1 VAL 93 -3.344 -10.254 9.286 713 2HG2 VAL 93 2HG1 VAL 93 -3.027 -11.940 8.840 714 3HG2 VAL 93 3HG1 VAL 93 -1.864 -10.670 8.401 715 HA PRO 94 HA PRO 94 -5.024 -12.425 2.496 716 1HB PRO 94 1HB PRO 94 -7.704 -13.049 2.787 717 2HB PRO 94 2HB PRO 94 -6.358 -14.207 2.918 718 1HG PRO 94 1HG PRO 94 -7.874 -12.828 5.136 719 2HG PRO 94 2HG PRO 94 -7.348 -14.527 5.064 720 1HD PRO 94 1HD PRO 94 -5.976 -12.581 6.459 721 2HD PRO 94 2HD PRO 94 -5.159 -13.964 5.733 722 H LYS 95 HN LYS 95 -6.243 -11.198 1.034 723 HA LYS 95 HA LYS 95 -6.346 -8.505 1.393 724 1HB LYS 95 1HB LYS 95 -6.564 -9.790 -0.779 725 2HB LYS 95 2HB LYS 95 -8.227 -10.134 -0.389 726 1HG LYS 95 2HG LYS 95 -8.078 -8.229 -1.944 727 2HG LYS 95 1HG LYS 95 -8.876 -7.833 -0.451 728 1HD LYS 95 1HD LYS 95 -7.525 -6.000 -1.107 729 2HD LYS 95 2HD LYS 95 -6.837 -6.629 0.358 730 1HE LYS 95 2HE LYS 95 -5.773 -7.353 -2.423 731 2HE LYS 95 1HE LYS 95 -5.232 -5.935 -1.517 732 1HZ LYS 95 1HZ LYS 95 -4.500 -7.354 0.233 733 2HZ LYS 95 2HZ LYS 95 -4.964 -8.700 -0.595 734 3HZ LYS 95 3HZ LYS 95 -3.768 -7.742 -1.190 735 H ALA 96 H ALA 96 -9.043 -10.736 1.692 736 HA ALA 96 HA ALA 96 -11.209 -9.163 2.330 737 1HB ALA 96 1HB ALA 96 -11.272 -11.630 2.317 738 2HB ALA 96 2HB ALA 96 -10.360 -11.675 3.844 739 3HB ALA 96 3HB ALA 96 -11.997 -10.987 3.804 740 H THR 97 H THR 97 -8.495 -9.900 4.564 741 HA THR 97 HA THR 97 -9.595 -8.659 6.888 742 HB THR 97 HB THR 97 -6.612 -8.838 6.333 743 HG1 THR 97 HG1 THR 97 -7.120 -10.732 5.571 744 1HG2 THR 97 1HG2 THR 97 -6.554 -9.663 8.632 745 2HG2 THR 97 2HG2 THR 97 -7.429 -8.117 8.583 746 3HG2 THR 97 3HG2 THR 97 -8.324 -9.655 8.719 747 H ILE 98 H ILE 98 -7.380 -7.587 4.302 748 HA ILE 98 HA ILE 98 -6.822 -4.951 5.274 749 HB ILE 98 HB ILE 98 -6.589 -6.392 2.610 750 1HG1 ILE 98 1HG1 ILE 98 -4.271 -5.739 2.802 751 2HG1 ILE 98 2HG1 ILE 98 -4.577 -4.881 4.319 752 1HG2 ILE 98 1HG2 ILE 98 -6.197 -3.395 3.005 753 2HG2 ILE 98 2HG2 ILE 98 -5.620 -4.336 1.612 754 3HG2 ILE 98 3HG2 ILE 98 -7.347 -4.167 1.885 755 1HD1 ILE 98 1HD1 ILE 98 -3.561 -7.134 4.601 756 2HD1 ILE 98 2HD1 ILE 98 -4.989 -7.869 3.843 757 3HD1 ILE 98 3HD1 ILE 98 -5.137 -7.015 5.403 758 H VAL 99 H VAL 99 -9.199 -6.174 2.898 759 HA VAL 99 HA VAL 99 -10.490 -3.764 2.263 760 HB VAL 99 HB VAL 99 -11.428 -6.654 2.392 761 1HG1 VAL 99 1HG1 VAL 99 -12.920 -4.292 1.197 762 2HG1 VAL 99 2HG1 VAL 99 -13.477 -5.299 2.552 763 3HG1 VAL 99 3HG1 VAL 99 -13.326 -5.996 0.936 764 1HG2 VAL 99 1HG2 VAL 99 -9.641 -5.993 0.729 765 2HG2 VAL 99 2HG2 VAL 99 -11.139 -6.553 -0.037 766 3HG2 VAL 99 3HG2 VAL 99 -10.771 -4.818 0.041 767 H GLN 100 H GLN 100 -11.522 -6.196 4.748 768 HA GLN 100 HA GLN 100 -13.644 -4.656 5.799 769 1HB GLN 100 2HB GLN 100 -11.789 -6.723 7.040 770 2HB GLN 100 1HB GLN 100 -13.151 -6.020 7.928 771 1HG GLN 100 1HG GLN 100 -14.765 -6.829 6.376 772 2HG GLN 100 2HG GLN 100 -13.539 -7.331 5.206 773 1HE2 GLN 100 1HE2 GLN 100 -11.905 -8.932 6.030 774 2HE2 GLN 100 2HE2 GLN 100 -12.508 -10.245 7.056 775 H THR 101 H THR 101 -10.214 -4.754 6.872 776 HA THR 101 HA THR 101 -10.560 -2.915 9.015 777 HB THR 101 HB THR 101 -8.033 -3.389 7.373 778 HG1 THR 101 HG1 THR 101 -8.816 -5.340 8.125 779 1HG2 THR 101 1HG2 THR 101 -6.895 -2.874 9.512 780 2HG2 THR 101 2HG2 THR 101 -8.460 -2.537 10.278 781 3HG2 THR 101 3HG2 THR 101 -7.859 -1.489 8.977 782 H VAL 102 H VAL 102 -9.337 -2.249 5.650 783 HA VAL 102 HA VAL 102 -9.031 0.518 6.150 784 HB VAL 102 HB VAL 102 -8.204 -1.059 4.207 785 1HG1 VAL 102 1HG2 VAL 102 -7.558 0.953 2.949 786 2HG1 VAL 102 2HG2 VAL 102 -7.475 1.282 4.684 787 3HG1 VAL 102 3HG2 VAL 102 -8.846 1.886 3.742 788 1HG2 VAL 102 1HG1 VAL 102 -10.366 -1.464 3.133 789 2HG2 VAL 102 2HG1 VAL 102 -9.224 -0.655 2.056 790 3HG2 VAL 102 3HG1 VAL 102 -10.537 0.278 2.796 791 H GLU 103 HN GLU 103 -11.774 -1.325 4.855 792 HA GLU 103 HA GLU 103 -13.422 0.951 4.369 793 1HB GLU 103 1HB GLU 103 -14.076 -1.963 4.966 794 2HB GLU 103 2HB GLU 103 -15.294 -0.741 4.567 795 1HG GLU 103 2HG GLU 103 -14.245 -0.219 2.450 796 2HG GLU 103 1HG GLU 103 -12.897 -1.311 2.772 797 H LYS 104 HN LYS 104 -13.105 -1.093 7.280 798 HA LYS 104 HA LYS 104 -15.001 0.244 8.908 799 1HB LYS 104 2HB LYS 104 -14.078 -1.758 9.699 800 2HB LYS 104 1HB LYS 104 -12.412 -1.240 9.511 801 1HG LYS 104 1HG LYS 104 -14.144 0.288 11.440 802 2HG LYS 104 2HG LYS 104 -13.592 -1.341 11.871 803 1HD LYS 104 2HD LYS 104 -11.248 -0.717 11.553 804 2HD LYS 104 1HD LYS 104 -11.711 0.927 11.092 805 1HE LYS 104 1HE LYS 104 -12.785 1.263 13.301 806 2HE LYS 104 2HE LYS 104 -12.260 -0.360 13.793 807 1HZ LYS 104 1HZ LYS 104 -10.494 1.852 13.001 808 2HZ LYS 104 2HZ LYS 104 -10.765 1.336 14.543 809 3HZ LYS 104 3HZ LYS 104 -10.001 0.350 13.466 810 H TYR 105 H TYR 105 -11.601 1.053 8.210 811 HA TYR 105 HA TYR 105 -11.556 3.387 9.935 812 1HB TYR 105 2HB TYR 105 -9.790 2.042 7.948 813 2HB TYR 105 1HB TYR 105 -9.497 3.761 8.200 814 HD1 TYR 105 HD1 TYR 105 -8.699 4.623 10.317 815 HD2 TYR 105 HD2 TYR 105 -9.312 0.406 9.737 816 HE1 TYR 105 HE1 TYR 105 -7.284 4.136 12.304 817 HE2 TYR 105 HE2 TYR 105 -7.952 -0.083 11.731 818 HH TYR 105 HH TYR 105 -6.643 0.803 13.422 819 H LEU 106 H LEU 106 -12.109 2.965 6.426 820 HA LEU 106 HA LEU 106 -12.530 5.893 6.071 821 1HB LEU 106 2HB LEU 106 -12.267 3.611 4.064 822 2HB LEU 106 1HB LEU 106 -12.513 5.316 3.663 823 HG LEU 106 HG LEU 106 -10.086 4.096 5.057 824 1HD1 LEU 106 1HD2 LEU 106 -9.032 6.327 4.619 825 2HD1 LEU 106 2HD2 LEU 106 -10.622 6.957 4.139 826 3HD1 LEU 106 3HD2 LEU 106 -10.337 6.409 5.807 827 1HD2 LEU 106 1HD1 LEU 106 -10.456 5.195 2.231 828 2HD2 LEU 106 2HD1 LEU 106 -8.950 4.551 2.916 829 3HD2 LEU 106 3HD1 LEU 106 -10.338 3.481 2.659 830 H ASN 107 H ASN 107 -14.127 3.278 4.278 831 HA ASN 107 HA ASN 107 -16.636 3.314 5.511 832 1HB ASN 107 1HB ASN 107 -17.851 4.288 3.509 833 2HB ASN 107 2HB ASN 107 -17.076 5.461 4.571 834 1HD2 ASN 107 1HD2 ASN 107 -15.222 3.583 2.100 835 2HD2 ASN 107 2HD2 ASN 107 -14.932 4.994 1.077 Start of MODEL 15 1 1H MET 1 1H MET 1 -9.923 3.684 -7.253 2 2H MET 1 2H MET 1 -9.512 2.082 -7.434 3 3H MET 1 3H MET 1 -8.452 3.116 -6.778 4 HA MET 1 HA MET 1 -9.371 3.238 -9.551 5 1HB MET 1 2HB MET 1 -8.566 5.410 -8.281 6 2HB MET 1 1HB MET 1 -6.972 4.662 -8.335 7 1HG MET 1 1HG MET 1 -7.161 6.133 -10.252 8 2HG MET 1 2HG MET 1 -7.201 4.504 -10.838 9 1HE MET 1 1HE MET 1 -10.741 7.454 -10.830 10 2HE MET 1 2HE MET 1 -9.049 7.853 -10.462 11 3HE MET 1 3HE MET 1 -10.024 6.930 -9.293 12 H GLU 2 HN GLU 2 -7.789 2.412 -11.097 13 HA GLU 2 HA GLU 2 -6.580 0.004 -10.604 14 1HB GLU 2 2HB GLU 2 -5.013 0.696 -12.518 15 2HB GLU 2 1HB GLU 2 -6.740 0.666 -12.854 16 1HG GLU 2 1HG GLU 2 -5.584 3.318 -11.961 17 2HG GLU 2 2HG GLU 2 -5.122 2.727 -13.545 18 H ALA 3 H ALA 3 -4.696 -0.758 -9.732 19 HA ALA 3 HA ALA 3 -3.302 1.003 -7.939 20 1HB ALA 3 1HB ALA 3 -2.698 -1.871 -8.738 21 2HB ALA 3 2HB ALA 3 -3.783 -1.393 -7.415 22 3HB ALA 3 3HB ALA 3 -2.049 -1.035 -7.313 23 H GLY 4 H GLY 4 -0.990 1.313 -7.882 24 1HA GLY 4 1HA GLY 4 0.423 1.175 -10.543 25 2HA GLY 4 2HA GLY 4 0.535 2.542 -9.423 26 H ALA 5 H ALA 5 2.898 1.961 -9.708 27 HA ALA 5 HA ALA 5 3.785 0.180 -7.526 28 1HB ALA 5 1HB ALA 5 5.683 -0.568 -8.920 29 2HB ALA 5 2HB ALA 5 4.996 0.273 -10.327 30 3HB ALA 5 3HB ALA 5 4.138 -1.109 -9.608 31 H VAL 6 H VAL 6 5.682 1.113 -6.501 32 HA VAL 6 HA VAL 6 6.510 3.792 -7.503 33 HB VAL 6 HB VAL 6 6.361 4.473 -4.946 34 1HG1 VAL 6 1HG1 VAL 6 4.053 2.499 -5.058 35 2HG1 VAL 6 2HG1 VAL 6 5.573 2.227 -4.209 36 3HG1 VAL 6 3HG1 VAL 6 4.517 3.562 -3.717 37 1HG2 VAL 6 1HG2 VAL 6 3.998 4.454 -6.830 38 2HG2 VAL 6 2HG2 VAL 6 4.096 5.386 -5.317 39 3HG2 VAL 6 3HG2 VAL 6 5.233 5.709 -6.634 40 H ASN 7 H ASN 7 8.216 4.705 -6.221 41 HA ASN 7 HA ASN 7 10.183 2.861 -5.029 42 1HB ASN 7 2HB ASN 7 10.915 3.024 -7.349 43 2HB ASN 7 1HB ASN 7 10.540 4.760 -7.400 44 1HD2 ASN 7 1HD2 ASN 7 12.833 2.343 -6.229 45 2HD2 ASN 7 2HD2 ASN 7 14.103 3.494 -5.809 46 H ASP 8 HN ASP 8 11.885 4.341 -4.117 47 HA ASP 8 HA ASP 8 11.017 6.003 -2.093 48 1HB ASP 8 2HB ASP 8 13.351 5.095 -2.536 49 2HB ASP 8 1HB ASP 8 13.591 6.366 -3.724 50 H ASP 9 HN ASP 9 12.098 6.995 -5.299 51 HA ASP 9 HA ASP 9 11.619 9.800 -5.033 52 1HB ASP 9 1HB ASP 9 12.962 8.914 -6.847 53 2HB ASP 9 2HB ASP 9 11.621 7.983 -7.494 54 H THR 10 H THR 10 9.643 7.617 -7.062 55 HA THR 10 HA THR 10 7.518 9.387 -7.442 56 HB THR 10 HB THR 10 6.266 7.238 -8.057 57 HG1 THR 10 HG1 THR 10 7.771 5.436 -8.216 58 1HG2 THR 10 1HG2 THR 10 7.684 6.841 -10.029 59 2HG2 THR 10 2HG2 THR 10 7.580 8.574 -9.679 60 3HG2 THR 10 3HG2 THR 10 9.045 7.673 -9.251 61 H PHE 11 H PHE 11 7.943 7.087 -4.784 62 HA PHE 11 HA PHE 11 5.542 6.923 -3.507 63 1HB PHE 11 1HB PHE 11 7.711 6.055 -2.690 64 2HB PHE 11 2HB PHE 11 8.217 7.663 -2.268 65 HD1 PHE 11 HD1 PHE 11 5.851 4.931 -1.407 66 HD2 PHE 11 HD2 PHE 11 7.583 8.683 -0.176 67 HE1 PHE 11 HE1 PHE 11 5.013 4.565 0.901 68 HE2 PHE 11 HE2 PHE 11 6.729 8.318 2.121 69 HZ PHE 11 HZ PHE 11 5.438 6.269 2.661 70 H LYS 12 HN LYS 12 7.761 9.609 -3.425 71 HA LYS 12 HA LYS 12 6.504 11.403 -1.643 72 1HB LYS 12 1HB LYS 12 7.992 11.979 -4.245 73 2HB LYS 12 2HB LYS 12 7.456 13.193 -3.105 74 1HG LYS 12 2HG LYS 12 8.900 12.215 -1.333 75 2HG LYS 12 1HG LYS 12 9.272 10.828 -2.369 76 1HD LYS 12 2HD LYS 12 11.159 12.313 -2.381 77 2HD LYS 12 1HD LYS 12 10.420 12.277 -3.989 78 1HE LYS 12 1HE LYS 12 9.309 14.451 -3.548 79 2HE LYS 12 2HE LYS 12 9.948 14.458 -1.891 80 1HZ LYS 12 1HZ LYS 12 11.243 15.800 -3.369 81 2HZ LYS 12 2HZ LYS 12 12.147 14.535 -2.822 82 3HZ LYS 12 3HZ LYS 12 11.545 14.515 -4.356 83 H ASN 13 H ASN 13 6.092 11.409 -5.214 84 HA ASN 13 HA ASN 13 3.980 13.404 -5.139 85 1HB ASN 13 1HB ASN 13 4.988 11.520 -7.311 86 2HB ASN 13 2HB ASN 13 3.855 12.837 -7.564 87 1HD2 ASN 13 1HD2 ASN 13 5.648 14.466 -5.392 88 2HD2 ASN 13 2HD2 ASN 13 6.858 15.079 -6.484 89 H VAL 14 H VAL 14 4.183 9.946 -5.430 90 HA VAL 14 HA VAL 14 1.377 9.678 -6.293 91 HB VAL 14 HB VAL 14 3.580 7.647 -5.751 92 1HG1 VAL 14 1HG1 VAL 14 3.688 7.512 -8.227 93 2HG1 VAL 14 2HG1 VAL 14 4.047 9.155 -7.691 94 3HG1 VAL 14 3HG1 VAL 14 2.449 8.774 -8.357 95 1HG2 VAL 14 1HG2 VAL 14 0.829 7.298 -7.003 96 2HG2 VAL 14 2HG2 VAL 14 1.450 6.499 -5.536 97 3HG2 VAL 14 3HG2 VAL 14 2.144 6.110 -7.117 98 H VAL 15 H VAL 15 3.212 8.960 -3.312 99 HA VAL 15 HA VAL 15 0.746 7.855 -2.056 100 HB VAL 15 HB VAL 15 3.619 7.749 -1.048 101 1HG1 VAL 15 1HG1 VAL 15 1.888 7.539 0.693 102 2HG1 VAL 15 2HG1 VAL 15 2.790 6.053 0.437 103 3HG1 VAL 15 3HG1 VAL 15 1.143 6.205 -0.220 104 1HG2 VAL 15 1HG2 VAL 15 3.432 6.520 -3.190 105 2HG2 VAL 15 2HG2 VAL 15 3.594 5.410 -1.825 106 3HG2 VAL 15 3HG2 VAL 15 2.008 5.676 -2.569 107 H LEU 16 H LEU 16 3.496 10.025 -1.199 108 HA LEU 16 HA LEU 16 2.094 11.004 1.134 109 1HB LEU 16 2HB LEU 16 4.460 12.189 -0.382 110 2HB LEU 16 1HB LEU 16 3.828 12.791 1.123 111 HG LEU 16 HG LEU 16 5.071 10.048 0.588 112 1HD1 LEU 16 1HD1 LEU 16 6.882 10.874 2.038 113 2HD1 LEU 16 2HD1 LEU 16 6.022 12.411 2.265 114 3HD1 LEU 16 3HD1 LEU 16 6.649 11.969 0.665 115 1HD2 LEU 16 1HD2 LEU 16 3.888 11.179 3.164 116 2HD2 LEU 16 2HD2 LEU 16 3.425 9.683 2.312 117 3HD2 LEU 16 3HD2 LEU 16 4.994 9.792 3.108 118 H GLU 17 HN GLU 17 2.991 12.872 -1.758 119 HA GLU 17 HA GLU 17 1.126 14.973 -1.087 120 1HB GLU 17 1HB GLU 17 2.729 14.475 -3.631 121 2HB GLU 17 2HB GLU 17 2.000 16.009 -3.154 122 1HG GLU 17 2HG GLU 17 3.496 16.240 -1.269 123 2HG GLU 17 1HG GLU 17 4.155 14.615 -1.486 124 H SER 18 H SER 18 -0.344 12.524 -1.472 125 HA SER 18 HA SER 18 -1.790 12.859 -4.047 126 1HB SER 18 2HB SER 18 -1.091 10.600 -3.344 127 2HB SER 18 1HB SER 18 -2.085 10.753 -1.877 128 HG SER 18 HG SER 18 -3.837 10.454 -3.081 129 H SER 19 H SER 19 -3.977 13.482 -4.064 130 HA SER 19 HA SER 19 -4.965 15.046 -1.806 131 1HB SER 19 2HB SER 19 -6.884 15.288 -3.535 132 2HB SER 19 1HB SER 19 -5.295 15.943 -3.988 133 HG SER 19 HG SER 19 -6.149 14.634 -5.671 134 H VAL 20 H VAL 20 -6.211 12.401 -3.833 135 HA VAL 20 HA VAL 20 -8.119 11.522 -1.793 136 HB VAL 20 HB VAL 20 -8.791 9.864 -3.362 137 1HG1 VAL 20 1HG2 VAL 20 -6.361 10.563 -5.062 138 2HG1 VAL 20 2HG2 VAL 20 -7.712 9.521 -5.556 139 3HG1 VAL 20 3HG2 VAL 20 -6.664 9.022 -4.228 140 1HG2 VAL 20 1HG1 VAL 20 -9.483 11.220 -5.231 141 2HG2 VAL 20 2HG1 VAL 20 -9.525 12.198 -3.754 142 3HG2 VAL 20 3HG1 VAL 20 -8.202 12.405 -4.923 143 HA PRO 21 HA PRO 21 -5.558 8.779 0.429 144 1HB PRO 21 2HB PRO 21 -7.697 6.706 -0.120 145 2HB PRO 21 1HB PRO 21 -6.820 6.952 1.418 146 1HG PRO 21 1HG PRO 21 -9.268 7.939 1.089 147 2HG PRO 21 2HG PRO 21 -8.032 9.092 1.687 148 1HD PRO 21 2HD PRO 21 -9.019 8.757 -1.180 149 2HD PRO 21 1HD PRO 21 -8.826 10.230 -0.238 150 H VAL 22 H VAL 22 -4.310 6.863 0.413 151 HA VAL 22 HA VAL 22 -3.981 5.462 -2.186 152 HB VAL 22 HB VAL 22 -1.700 6.852 -0.702 153 1HG1 VAL 22 1HG1 VAL 22 -0.882 4.978 -1.897 154 2HG1 VAL 22 2HG1 VAL 22 -0.558 6.355 -2.959 155 3HG1 VAL 22 3HG1 VAL 22 -1.928 5.298 -3.301 156 1HG2 VAL 22 1HG2 VAL 22 -3.060 8.611 -1.607 157 2HG2 VAL 22 2HG2 VAL 22 -1.626 8.405 -2.611 158 3HG2 VAL 22 3HG2 VAL 22 -3.189 7.804 -3.181 159 H LEU 23 H LEU 23 -3.949 3.392 -1.822 160 HA LEU 23 HA LEU 23 -3.112 2.266 0.793 161 1HB LEU 23 2HB LEU 23 -5.233 1.710 -0.492 162 2HB LEU 23 1HB LEU 23 -4.289 0.822 -1.637 163 HG LEU 23 HG LEU 23 -3.731 0.121 1.218 164 1HD1 LEU 23 1HD2 LEU 23 -2.785 -1.207 -0.657 165 2HD1 LEU 23 2HD2 LEU 23 -3.900 -2.185 0.301 166 3HD1 LEU 23 3HD2 LEU 23 -4.426 -1.532 -1.256 167 1HD2 LEU 23 1HD1 LEU 23 -5.790 -1.184 1.489 168 2HD2 LEU 23 2HD1 LEU 23 -6.145 0.547 1.357 169 3HD2 LEU 23 3HD1 LEU 23 -6.425 -0.523 -0.036 170 H VAL 24 H VAL 24 -0.778 2.408 0.726 171 HA VAL 24 HA VAL 24 0.542 1.226 -1.704 172 HB VAL 24 HB VAL 24 1.441 3.329 -1.284 173 1HG1 VAL 24 1HG2 VAL 24 0.745 3.859 0.917 174 2HG1 VAL 24 2HG2 VAL 24 2.517 3.913 0.904 175 3HG1 VAL 24 3HG2 VAL 24 1.693 2.526 1.624 176 1HG2 VAL 24 1HG1 VAL 24 3.393 1.350 -0.034 177 2HG2 VAL 24 2HG1 VAL 24 3.057 1.475 -1.777 178 3HG2 VAL 24 3HG1 VAL 24 3.770 2.844 -0.905 179 H ASP 25 HN ASP 25 1.448 -0.754 -1.614 180 HA ASP 25 HA ASP 25 1.653 -2.124 1.033 181 1HB ASP 25 1HB ASP 25 0.187 -3.271 -0.548 182 2HB ASP 25 2HB ASP 25 1.454 -3.230 -1.779 183 H PHE 26 H PHE 26 3.680 -2.329 1.820 184 HA PHE 26 HA PHE 26 6.047 -1.787 0.110 185 1HB PHE 26 2HB PHE 26 5.697 -2.526 3.035 186 2HB PHE 26 1HB PHE 26 7.253 -2.367 2.239 187 HD1 PHE 26 HD1 PHE 26 4.105 -0.398 2.978 188 HD2 PHE 26 HD2 PHE 26 8.318 -0.259 2.043 189 HE1 PHE 26 HE1 PHE 26 4.149 1.994 3.537 190 HE2 PHE 26 HE2 PHE 26 8.381 2.106 2.738 191 HZ PHE 26 HZ PHE 26 6.295 3.253 3.493 192 H TRP 27 H TRP 27 6.609 -3.451 -1.237 193 HA TRP 27 HA TRP 27 6.232 -6.271 -0.276 194 1HB TRP 27 2HB TRP 27 5.522 -6.934 -2.466 195 2HB TRP 27 1HB TRP 27 4.518 -5.572 -2.007 196 HD1 TRP 27 HD1 TRP 27 5.431 -3.178 -3.060 197 HE1 TRP 27 HE1 TRP 27 6.594 -2.604 -5.311 198 HE3 TRP 27 HE3 TRP 27 6.670 -7.959 -4.653 199 HZ2 TRP 27 HZ2 TRP 27 8.019 -3.989 -7.336 200 HZ3 TRP 27 HZ3 TRP 27 7.818 -8.230 -6.737 201 HH2 TRP 27 HH2 TRP 27 8.613 -6.308 -8.067 202 H ALA 28 H ALA 28 7.382 -7.659 -2.116 203 HA ALA 28 HA ALA 28 9.698 -6.617 -3.370 204 1HB ALA 28 1HB ALA 28 10.172 -8.578 -1.075 205 2HB ALA 28 2HB ALA 28 10.611 -6.847 -1.014 206 3HB ALA 28 3HB ALA 28 11.395 -7.925 -2.177 207 HA PRO 29 HA PRO 29 8.200 -10.110 -5.602 208 1HB PRO 29 2HB PRO 29 10.169 -10.997 -7.111 209 2HB PRO 29 1HB PRO 29 9.568 -9.364 -7.199 210 1HG PRO 29 1HG PRO 29 12.116 -10.051 -5.788 211 2HG PRO 29 2HG PRO 29 11.833 -8.806 -7.029 212 1HD PRO 29 1HD PRO 29 11.642 -8.216 -4.365 213 2HD PRO 29 2HD PRO 29 10.574 -7.448 -5.571 214 H TRP 30 H TRP 30 11.299 -10.811 -4.215 215 HA TRP 30 HA TRP 30 11.018 -13.606 -3.763 216 1HB TRP 30 1HB TRP 30 12.678 -13.307 -1.935 217 2HB TRP 30 2HB TRP 30 13.148 -12.631 -3.484 218 HD1 TRP 30 HD1 TRP 30 14.101 -10.300 -3.453 219 HE1 TRP 30 HE1 TRP 30 14.381 -8.405 -1.727 220 HE3 TRP 30 HE3 TRP 30 11.259 -12.224 0.362 221 HZ2 TRP 30 HZ2 TRP 30 13.304 -7.713 0.839 222 HZ3 TRP 30 HZ3 TRP 30 10.837 -10.883 2.389 223 HH2 TRP 30 HH2 TRP 30 11.704 -8.571 2.570 224 H CYS 31 H CYS 31 9.235 -10.999 -2.306 225 HA CYS 31 HA CYS 31 8.687 -12.472 0.215 226 1HB CYS 31 2HB CYS 31 8.774 -10.125 0.451 227 2HB CYS 31 1HB CYS 31 7.641 -9.859 -0.869 228 H GLY 32 H GLY 32 8.002 -14.395 -0.857 229 1HA GLY 32 1HA GLY 32 5.964 -15.007 -2.501 230 2HA GLY 32 2HA GLY 32 6.175 -15.858 -0.965 231 HA PRO 33 HA PRO 33 2.381 -14.332 0.657 232 1HB PRO 33 2HB PRO 33 2.847 -12.579 2.785 233 2HB PRO 33 1HB PRO 33 2.843 -14.363 2.850 234 1HG PRO 33 2HG PRO 33 5.206 -12.520 2.591 235 2HG PRO 33 1HG PRO 33 5.053 -13.977 3.606 236 1HD PRO 33 1HD PRO 33 6.371 -14.060 1.277 237 2HD PRO 33 2HD PRO 33 5.308 -15.416 1.720 238 H CYS 34 H CYS 34 4.636 -11.794 -0.301 239 HA CYS 34 HA CYS 34 2.582 -9.687 -0.498 240 1HB CYS 34 2HB CYS 34 5.334 -9.708 -1.765 241 2HB CYS 34 1HB CYS 34 4.201 -8.390 -1.518 242 H ARG 35 HN ARG 35 4.541 -11.772 -2.578 243 HA ARG 35 HA ARG 35 3.671 -11.109 -5.122 244 1HB ARG 35 1HB ARG 35 5.488 -12.739 -4.252 245 2HB ARG 35 2HB ARG 35 4.224 -13.966 -4.239 246 1HG ARG 35 1HG ARG 35 3.810 -13.439 -6.703 247 2HG ARG 35 2HG ARG 35 5.262 -12.419 -6.643 248 1HD ARG 35 1HD ARG 35 5.053 -15.396 -6.061 249 2HD ARG 35 2HD ARG 35 5.871 -14.655 -7.451 250 HE ARG 35 HE ARG 35 7.244 -13.489 -5.466 251 1HH1 ARG 35 1HH2 ARG 35 6.448 -16.923 -5.862 252 2HH1 ARG 35 2HH2 ARG 35 7.670 -17.451 -4.737 253 1HH2 ARG 35 1HH1 ARG 35 8.746 -14.128 -4.076 254 2HH2 ARG 35 2HH1 ARG 35 9.048 -15.809 -3.669 255 H ILE 36 H ILE 36 2.297 -13.631 -2.983 256 HA ILE 36 HA ILE 36 0.273 -14.392 -4.860 257 HB ILE 36 HB ILE 36 -0.790 -15.597 -3.020 258 1HG1 ILE 36 1HG1 ILE 36 1.192 -14.115 -1.251 259 2HG1 ILE 36 2HG1 ILE 36 -0.571 -13.970 -1.216 260 1HG2 ILE 36 1HG2 ILE 36 1.250 -16.430 -4.233 261 2HG2 ILE 36 2HG2 ILE 36 2.257 -15.822 -2.913 262 3HG2 ILE 36 3HG2 ILE 36 1.071 -17.103 -2.610 263 1HD1 ILE 36 1HD1 ILE 36 1.032 -16.398 -0.415 264 2HD1 ILE 36 2HD1 ILE 36 0.060 -15.322 0.609 265 3HD1 ILE 36 3HD1 ILE 36 -0.747 -16.359 -0.588 266 H ILE 37 H ILE 37 0.064 -11.944 -2.199 267 HA ILE 37 HA ILE 37 -2.765 -11.518 -2.803 268 HB ILE 37 HB ILE 37 -2.669 -9.620 -1.309 269 1HG1 ILE 37 1HG1 ILE 37 0.293 -10.167 -0.945 270 2HG1 ILE 37 2HG1 ILE 37 -0.366 -8.800 -1.848 271 1HG2 ILE 37 1HG2 ILE 37 -1.161 -11.970 -0.083 272 2HG2 ILE 37 2HG2 ILE 37 -2.885 -12.016 -0.503 273 3HG2 ILE 37 3HG2 ILE 37 -2.308 -10.876 0.711 274 1HD1 ILE 37 1HD1 ILE 37 0.228 -8.037 0.339 275 2HD1 ILE 37 2HD1 ILE 37 -0.698 -9.322 1.126 276 3HD1 ILE 37 3HD1 ILE 37 -1.543 -8.039 0.224 277 H ALA 38 H ALA 38 0.236 -10.146 -4.033 278 HA ALA 38 HA ALA 38 -0.324 -7.705 -4.906 279 1HB ALA 38 1HB ALA 38 0.994 -9.787 -6.703 280 2HB ALA 38 2HB ALA 38 1.765 -8.928 -5.356 281 3HB ALA 38 3HB ALA 38 1.190 -8.037 -6.771 282 HA PRO 39 HA PRO 39 -2.767 -8.872 -8.899 283 1HB PRO 39 2HB PRO 39 -4.169 -11.400 -8.110 284 2HB PRO 39 1HB PRO 39 -3.461 -10.959 -9.688 285 1HG PRO 39 2HG PRO 39 -2.218 -12.769 -8.069 286 2HG PRO 39 1HG PRO 39 -1.254 -11.523 -8.925 287 1HD PRO 39 2HD PRO 39 -2.348 -11.390 -6.102 288 2HD PRO 39 1HD PRO 39 -0.665 -11.190 -6.601 289 H VAL 40 H VAL 40 -3.901 -9.892 -5.679 290 HA VAL 40 HA VAL 40 -6.609 -8.936 -6.138 291 HB VAL 40 HB VAL 40 -5.462 -9.304 -3.364 292 1HG1 VAL 40 1HG2 VAL 40 -8.206 -9.858 -4.627 293 2HG1 VAL 40 2HG2 VAL 40 -7.821 -9.945 -2.906 294 3HG1 VAL 40 3HG2 VAL 40 -7.808 -8.380 -3.738 295 1HG2 VAL 40 1HG1 VAL 40 -4.796 -11.306 -4.476 296 2HG2 VAL 40 2HG1 VAL 40 -6.409 -11.446 -5.252 297 3HG2 VAL 40 3HG1 VAL 40 -6.233 -11.629 -3.476 298 H VAL 41 H VAL 41 -3.583 -7.806 -4.639 299 HA VAL 41 HA VAL 41 -4.568 -5.485 -3.483 300 HB VAL 41 HB VAL 41 -1.848 -5.928 -4.819 301 1HG1 VAL 41 1HG1 VAL 41 -0.989 -6.369 -2.617 302 2HG1 VAL 41 2HG1 VAL 41 -2.414 -7.396 -2.807 303 3HG1 VAL 41 3HG1 VAL 41 -2.517 -5.917 -1.850 304 1HG2 VAL 41 1HG2 VAL 41 -2.131 -3.544 -4.675 305 2HG2 VAL 41 2HG2 VAL 41 -2.681 -3.670 -2.981 306 3HG2 VAL 41 3HG2 VAL 41 -1.008 -4.057 -3.418 307 H ASP 42 HN ASP 42 -3.601 -6.176 -6.841 308 HA ASP 42 HA ASP 42 -4.193 -3.579 -7.918 309 1HB ASP 42 1HB ASP 42 -4.302 -6.276 -9.324 310 2HB ASP 42 2HB ASP 42 -4.232 -4.695 -10.095 311 H GLU 43 HN GLU 43 -6.163 -6.644 -8.054 312 HA GLU 43 HA GLU 43 -8.287 -5.416 -9.404 313 1HB GLU 43 1HB GLU 43 -9.433 -7.335 -9.194 314 2HB GLU 43 2HB GLU 43 -7.796 -7.937 -8.927 315 1HG GLU 43 1HG GLU 43 -8.357 -7.786 -6.397 316 2HG GLU 43 2HG GLU 43 -10.019 -7.467 -6.868 317 H ILE 44 H ILE 44 -7.940 -5.863 -5.853 318 HA ILE 44 HA ILE 44 -10.460 -4.700 -5.203 319 HB ILE 44 HB ILE 44 -7.859 -5.155 -3.744 320 1HG1 ILE 44 2HG1 ILE 44 -9.809 -6.799 -4.100 321 2HG1 ILE 44 1HG1 ILE 44 -9.174 -6.637 -2.457 322 1HG2 ILE 44 1HG2 ILE 44 -10.054 -3.391 -2.670 323 2HG2 ILE 44 2HG2 ILE 44 -8.334 -2.985 -2.858 324 3HG2 ILE 44 3HG2 ILE 44 -8.827 -4.190 -1.661 325 1HD1 ILE 44 1HD1 ILE 44 -11.664 -6.760 -2.576 326 2HD1 ILE 44 2HD1 ILE 44 -11.110 -5.266 -1.810 327 3HD1 ILE 44 3HD1 ILE 44 -11.701 -5.238 -3.473 328 H ALA 45 H ALA 45 -7.337 -3.142 -5.971 329 HA ALA 45 HA ALA 45 -8.164 -0.488 -5.275 330 1HB ALA 45 1HB ALA 45 -5.828 -1.419 -5.872 331 2HB ALA 45 2HB ALA 45 -6.288 -1.155 -7.568 332 3HB ALA 45 3HB ALA 45 -6.279 0.204 -6.431 333 H GLY 46 H GLY 46 -8.404 -2.481 -8.237 334 1HA GLY 46 2HA GLY 46 -9.612 -0.627 -9.999 335 2HA GLY 46 1HA GLY 46 -9.825 -2.389 -10.026 336 H GLU 47 HN GLU 47 -11.131 -2.983 -7.696 337 HA GLU 47 HA GLU 47 -13.831 -2.362 -8.139 338 1HB GLU 47 1HB GLU 47 -12.415 -3.167 -5.556 339 2HB GLU 47 2HB GLU 47 -14.150 -3.061 -5.777 340 1HG GLU 47 1HG GLU 47 -14.112 -4.760 -7.509 341 2HG GLU 47 2HG GLU 47 -12.344 -4.894 -7.408 342 H TYR 48 H TYR 48 -11.618 -0.943 -5.737 343 HA TYR 48 HA TYR 48 -13.583 1.152 -5.060 344 1HB TYR 48 2HB TYR 48 -10.726 0.646 -4.152 345 2HB TYR 48 1HB TYR 48 -11.823 1.835 -3.458 346 HD1 TYR 48 HD1 TYR 48 -10.397 -1.059 -2.526 347 HD2 TYR 48 HD2 TYR 48 -14.411 0.377 -3.220 348 HE1 TYR 48 HE1 TYR 48 -11.282 -2.600 -0.796 349 HE2 TYR 48 HE2 TYR 48 -15.254 -1.116 -1.476 350 HH TYR 48 HH TYR 48 -14.529 -2.217 0.520 351 H LYS 49 HN LYS 49 -13.293 1.371 -7.569 352 HA LYS 49 HA LYS 49 -11.430 2.721 -8.936 353 1HB LYS 49 2HB LYS 49 -13.517 1.795 -9.766 354 2HB LYS 49 1HB LYS 49 -14.443 3.137 -9.140 355 1HG LYS 49 2HG LYS 49 -12.161 3.359 -11.176 356 2HG LYS 49 1HG LYS 49 -13.839 3.103 -11.628 357 1HD LYS 49 1HD LYS 49 -12.781 5.612 -10.243 358 2HD LYS 49 2HD LYS 49 -13.154 5.419 -11.942 359 1HE LYS 49 2HE LYS 49 -15.518 5.007 -11.478 360 2HE LYS 49 1HE LYS 49 -15.242 5.121 -9.736 361 1HZ LYS 49 1HZ LYS 49 -16.080 7.142 -10.645 362 2HZ LYS 49 2HZ LYS 49 -14.782 7.290 -11.646 363 3HZ LYS 49 3HZ LYS 49 -14.585 7.379 -10.011 364 H ASP 50 HN ASP 50 -14.189 4.540 -7.684 365 HA ASP 50 HA ASP 50 -13.188 7.052 -8.238 366 1HB ASP 50 2HB ASP 50 -15.574 6.315 -7.664 367 2HB ASP 50 1HB ASP 50 -15.138 6.453 -5.968 368 H LYS 51 HN LYS 51 -13.310 5.640 -4.980 369 HA LYS 51 HA LYS 51 -12.243 7.993 -3.814 370 1HB LYS 51 1HB LYS 51 -11.970 6.526 -1.774 371 2HB LYS 51 2HB LYS 51 -13.593 6.667 -2.352 372 1HG LYS 51 1HG LYS 51 -13.701 4.492 -3.261 373 2HG LYS 51 2HG LYS 51 -11.973 4.215 -3.005 374 1HD LYS 51 1HD LYS 51 -12.296 4.547 -0.556 375 2HD LYS 51 2HD LYS 51 -14.029 4.809 -0.828 376 1HE LYS 51 1HE LYS 51 -14.185 2.472 -1.748 377 2HE LYS 51 2HE LYS 51 -12.468 2.240 -1.337 378 1HZ LYS 51 1HZ LYS 51 -13.861 1.397 0.390 379 2HZ LYS 51 2HZ LYS 51 -14.609 2.851 0.560 380 3HZ LYS 51 3HZ LYS 51 -13.013 2.691 0.933 381 H LEU 52 H LEU 52 -10.576 4.931 -4.589 382 HA LEU 52 HA LEU 52 -8.325 5.949 -2.824 383 1HB LEU 52 1HB LEU 52 -9.993 4.572 -1.821 384 2HB LEU 52 2HB LEU 52 -9.830 3.364 -3.113 385 HG LEU 52 HG LEU 52 -7.671 2.694 -2.283 386 1HD1 LEU 52 1HD2 LEU 52 -6.878 4.804 -1.229 387 2HD1 LEU 52 2HD2 LEU 52 -8.141 4.612 0.028 388 3HD1 LEU 52 3HD2 LEU 52 -6.828 3.436 -0.108 389 1HD2 LEU 52 1HD1 LEU 52 -9.970 3.032 -0.232 390 2HD2 LEU 52 2HD1 LEU 52 -9.933 1.806 -1.496 391 3HD2 LEU 52 3HD1 LEU 52 -8.763 1.736 -0.155 392 H LYS 53 HN LYS 53 -6.301 5.807 -3.486 393 HA LYS 53 HA LYS 53 -5.707 4.442 -6.075 394 1HB LYS 53 1HB LYS 53 -4.836 6.734 -5.603 395 2HB LYS 53 2HB LYS 53 -3.969 6.096 -4.240 396 1HG LYS 53 2HG LYS 53 -2.486 6.414 -6.149 397 2HG LYS 53 1HG LYS 53 -2.517 4.760 -5.605 398 1HD LYS 53 1HD LYS 53 -2.479 4.757 -7.996 399 2HD LYS 53 2HD LYS 53 -4.036 4.130 -7.510 400 1HE LYS 53 1HE LYS 53 -4.322 5.653 -9.372 401 2HE LYS 53 2HE LYS 53 -5.097 6.345 -7.938 402 1HZ LYS 53 1HZ LYS 53 -2.437 7.070 -8.959 403 2HZ LYS 53 2HZ LYS 53 -3.184 7.741 -7.652 404 3HZ LYS 53 3HZ LYS 53 -3.815 7.951 -9.157 405 H CYS 54 H CYS 54 -3.765 2.945 -6.018 406 HA CYS 54 HA CYS 54 -3.227 1.759 -3.437 407 1HB CYS 54 1HB CYS 54 -5.147 0.406 -4.309 408 2HB CYS 54 2HB CYS 54 -4.193 0.168 -5.812 409 HG CYS 54 HG CYS 54 -4.012 -2.026 -4.605 410 H VAL 55 H VAL 55 -1.158 0.730 -3.457 411 HA VAL 55 HA VAL 55 0.330 0.852 -5.981 412 HB VAL 55 HB VAL 55 1.911 2.339 -4.052 413 1HG1 VAL 55 1HG1 VAL 55 -0.683 3.770 -4.713 414 2HG1 VAL 55 2HG1 VAL 55 0.723 4.415 -3.882 415 3HG1 VAL 55 3HG1 VAL 55 -0.242 3.152 -3.103 416 1HG2 VAL 55 1HG2 VAL 55 1.988 3.969 -5.900 417 2HG2 VAL 55 2HG2 VAL 55 2.246 2.318 -6.497 418 3HG2 VAL 55 3HG2 VAL 55 0.676 3.116 -6.733 419 H LYS 56 HN LYS 56 2.602 0.223 -5.703 420 HA LYS 56 HA LYS 56 3.053 -1.597 -3.408 421 1HB LYS 56 2HB LYS 56 2.688 -2.203 -6.296 422 2HB LYS 56 1HB LYS 56 4.021 -3.041 -5.506 423 1HG LYS 56 2HG LYS 56 2.584 -3.892 -3.751 424 2HG LYS 56 1HG LYS 56 1.192 -2.992 -4.374 425 1HD LYS 56 2HD LYS 56 2.667 -5.167 -5.925 426 2HD LYS 56 1HD LYS 56 1.238 -5.443 -4.909 427 1HE LYS 56 1HE LYS 56 -0.045 -3.776 -6.303 428 2HE LYS 56 2HE LYS 56 1.347 -3.664 -7.392 429 1HZ LYS 56 1HZ LYS 56 -0.216 -6.083 -6.821 430 2HZ LYS 56 2HZ LYS 56 -0.251 -5.177 -8.187 431 3HZ LYS 56 3HZ LYS 56 1.116 -6.014 -7.802 432 H LEU 57 H LEU 57 4.850 -0.929 -2.454 433 HA LEU 57 HA LEU 57 6.953 0.491 -4.031 434 1HB LEU 57 1HB LEU 57 6.107 1.760 -2.152 435 2HB LEU 57 2HB LEU 57 6.376 0.398 -1.046 436 HG LEU 57 HG LEU 57 8.804 0.661 -1.316 437 1HD1 LEU 57 1HD1 LEU 57 9.040 2.724 -0.151 438 2HD1 LEU 57 2HD1 LEU 57 7.613 3.426 -0.933 439 3HD1 LEU 57 3HD1 LEU 57 7.412 2.138 0.259 440 1HD2 LEU 57 1HD2 LEU 57 7.965 2.766 -3.361 441 2HD2 LEU 57 2HD2 LEU 57 9.551 2.789 -2.599 442 3HD2 LEU 57 3HD2 LEU 57 9.089 1.397 -3.588 443 H ASN 58 H ASN 58 8.709 -0.627 -4.608 444 HA ASN 58 HA ASN 58 9.159 -3.303 -3.521 445 1HB ASN 58 1HB ASN 58 9.639 -2.747 -5.872 446 2HB ASN 58 2HB ASN 58 10.920 -1.652 -5.357 447 1HD2 ASN 58 2HD2 ASN 58 10.378 -4.763 -6.450 448 2HD2 ASN 58 1HD2 ASN 58 11.798 -5.531 -5.757 449 H THR 59 H THR 59 9.913 -3.567 -1.587 450 HA THR 59 HA THR 59 11.055 -1.473 0.011 451 HB THR 59 HB THR 59 10.928 -4.475 0.545 452 HG1 THR 59 HG1 THR 59 8.891 -3.757 0.006 453 1HG2 THR 59 1HG2 THR 59 12.250 -3.151 2.223 454 2HG2 THR 59 2HG2 THR 59 10.748 -3.807 2.899 455 3HG2 THR 59 3HG2 THR 59 10.832 -2.099 2.444 456 H ASP 60 HN ASP 60 12.420 -4.127 -1.869 457 HA ASP 60 HA ASP 60 15.042 -4.176 -0.663 458 1HB ASP 60 1HB ASP 60 13.721 -5.912 -2.129 459 2HB ASP 60 2HB ASP 60 14.349 -5.015 -3.505 460 H GLU 61 HN GLU 61 13.509 -2.632 -3.405 461 HA GLU 61 HA GLU 61 15.831 -1.215 -4.405 462 1HB GLU 61 2HB GLU 61 13.779 -2.052 -5.703 463 2HB GLU 61 1HB GLU 61 12.889 -0.710 -4.946 464 1HG GLU 61 2HG GLU 61 14.621 0.863 -5.975 465 2HG GLU 61 1HG GLU 61 15.272 -0.545 -6.816 466 H SER 62 H SER 62 13.125 -0.438 -2.243 467 HA SER 62 HA SER 62 14.095 2.370 -1.880 468 1HB SER 62 2HB SER 62 11.973 2.127 -3.076 469 2HB SER 62 1HB SER 62 11.278 1.268 -1.684 470 HG SER 62 HG SER 62 11.704 3.073 -0.416 471 HA PRO 63 HA PRO 63 14.185 -0.139 2.181 472 1HB PRO 63 1HB PRO 63 16.849 0.191 2.759 473 2HB PRO 63 2HB PRO 63 16.209 -1.182 1.799 474 1HG PRO 63 1HG PRO 63 17.427 1.406 0.785 475 2HG PRO 63 2HG PRO 63 17.798 -0.264 0.259 476 1HD PRO 63 1HD PRO 63 16.070 1.268 -1.146 477 2HD PRO 63 2HD PRO 63 15.708 -0.458 -0.867 478 H ASN 64 H ASN 64 15.401 2.877 0.936 479 HA ASN 64 HA ASN 64 15.995 4.347 3.276 480 1HB ASN 64 1HB ASN 64 14.719 5.295 0.671 481 2HB ASN 64 2HB ASN 64 15.353 6.367 1.929 482 1HD2 ASN 64 2HD2 ASN 64 16.265 6.442 -0.741 483 2HD2 ASN 64 1HD2 ASN 64 17.948 5.909 -0.734 484 H VAL 65 H VAL 65 12.938 4.602 1.483 485 HA VAL 65 HA VAL 65 11.422 5.910 3.438 486 HB VAL 65 HB VAL 65 10.554 3.915 1.292 487 1HG1 VAL 65 1HG2 VAL 65 8.936 6.077 2.684 488 2HG1 VAL 65 2HG2 VAL 65 8.760 4.334 2.971 489 3HG1 VAL 65 3HG2 VAL 65 8.383 4.997 1.379 490 1HG2 VAL 65 1HG1 VAL 65 11.797 5.732 0.282 491 2HG2 VAL 65 2HG1 VAL 65 10.945 6.938 1.266 492 3HG2 VAL 65 3HG1 VAL 65 10.076 6.036 0.007 493 H ALA 66 H ALA 66 11.635 2.465 2.689 494 HA ALA 66 HA ALA 66 9.991 1.377 4.613 495 1HB ALA 66 1HB ALA 66 12.697 0.233 3.813 496 2HB ALA 66 2HB ALA 66 11.234 0.144 2.810 497 3HB ALA 66 3HB ALA 66 11.301 -0.671 4.387 498 H SER 67 H SER 67 13.457 2.260 5.075 499 HA SER 67 HA SER 67 13.558 1.449 7.828 500 1HB SER 67 2HB SER 67 15.293 3.459 6.317 501 2HB SER 67 1HB SER 67 15.659 2.715 7.884 502 HG SER 67 HG SER 67 15.356 1.402 5.383 503 H GLU 68 HN GLU 68 13.020 4.585 6.226 504 HA GLU 68 HA GLU 68 12.908 6.223 8.543 505 1HB GLU 68 2HB GLU 68 11.466 6.446 5.867 506 2HB GLU 68 1HB GLU 68 11.459 7.713 7.094 507 1HG GLU 68 1HG GLU 68 13.814 8.068 6.927 508 2HG GLU 68 2HG GLU 68 14.070 6.599 5.986 509 H TYR 69 H TYR 69 10.275 4.421 6.898 510 HA TYR 69 HA TYR 69 8.302 5.249 8.905 511 1HB TYR 69 2HB TYR 69 8.308 3.474 6.454 512 2HB TYR 69 1HB TYR 69 7.009 3.361 7.624 513 HD1 TYR 69 HD1 TYR 69 5.513 5.295 8.095 514 HD2 TYR 69 HD2 TYR 69 8.612 5.561 5.116 515 HE1 TYR 69 HE1 TYR 69 4.729 7.560 7.478 516 HE2 TYR 69 HE2 TYR 69 7.805 7.815 4.479 517 HH TYR 69 HH TYR 69 5.249 9.493 6.293 518 H GLY 70 H GLY 70 10.358 2.406 8.402 519 1HA GLY 70 2HA GLY 70 11.132 1.106 10.220 520 2HA GLY 70 1HA GLY 70 9.718 1.536 11.185 521 H ILE 71 H ILE 71 10.018 0.283 7.846 522 HA ILE 71 HA ILE 71 7.936 -1.720 8.259 523 HB ILE 71 HB ILE 71 9.897 -1.328 5.971 524 1HG1 ILE 71 1HG1 ILE 71 8.567 0.741 6.362 525 2HG1 ILE 71 2HG1 ILE 71 8.228 -0.066 4.844 526 1HG2 ILE 71 1HG2 ILE 71 7.264 -2.859 6.179 527 2HG2 ILE 71 2HG2 ILE 71 8.107 -2.502 4.654 528 3HG2 ILE 71 3HG2 ILE 71 8.875 -3.526 5.873 529 1HD1 ILE 71 1HD1 ILE 71 6.116 -0.910 5.690 530 2HD1 ILE 71 2HD1 ILE 71 6.465 -0.248 7.313 531 3HD1 ILE 71 3HD1 ILE 71 6.217 0.836 5.935 532 H ARG 72 HN ARG 72 8.760 -2.871 10.016 533 HA ARG 72 HA ARG 72 11.360 -4.056 10.050 534 1HB ARG 72 2HB ARG 72 9.956 -3.444 12.015 535 2HB ARG 72 1HB ARG 72 8.862 -4.789 11.642 536 1HG ARG 72 2HG ARG 72 10.675 -6.407 12.044 537 2HG ARG 72 1HG ARG 72 11.836 -5.085 12.263 538 1HD ARG 72 2HD ARG 72 10.502 -4.306 14.259 539 2HD ARG 72 1HD ARG 72 9.370 -5.627 13.978 540 HE ARG 72 HE ARG 72 10.796 -7.122 14.928 541 1HH1 ARG 72 2HH2 ARG 72 12.629 -4.196 14.197 542 2HH1 ARG 72 1HH2 ARG 72 14.046 -4.684 15.089 543 1HH2 ARG 72 2HH1 ARG 72 12.636 -7.787 16.079 544 2HH2 ARG 72 1HH1 ARG 72 14.050 -6.774 16.168 545 H SER 73 H SER 73 8.395 -5.129 8.505 546 HA SER 73 HA SER 73 9.732 -7.425 7.395 547 1HB SER 73 1HB SER 73 7.218 -7.872 9.077 548 2HB SER 73 2HB SER 73 8.075 -9.089 8.120 549 HG SER 73 HG SER 73 9.898 -8.060 9.686 550 H ILE 74 H ILE 74 8.132 -8.410 5.719 551 HA ILE 74 HA ILE 74 6.136 -6.424 4.849 552 HB ILE 74 HB ILE 74 6.887 -6.814 2.484 553 1HG1 ILE 74 1HG1 ILE 74 9.514 -7.756 3.636 554 2HG1 ILE 74 2HG1 ILE 74 8.292 -8.821 2.914 555 1HG2 ILE 74 1HG2 ILE 74 7.328 -4.755 3.876 556 2HG2 ILE 74 2HG2 ILE 74 8.922 -5.431 4.281 557 3HG2 ILE 74 3HG2 ILE 74 8.510 -5.024 2.604 558 1HD1 ILE 74 1HD1 ILE 74 9.772 -8.252 1.136 559 2HD1 ILE 74 2HD1 ILE 74 8.313 -7.328 0.850 560 3HD1 ILE 74 3HD1 ILE 74 9.755 -6.535 1.531 561 HA PRO 75 HA PRO 75 4.678 -6.658 2.650 562 1HB PRO 75 2HB PRO 75 1.974 -6.919 2.667 563 2HB PRO 75 1HB PRO 75 3.008 -7.880 1.589 564 1HG PRO 75 1HG PRO 75 1.932 -8.651 4.304 565 2HG PRO 75 2HG PRO 75 1.795 -9.599 2.787 566 1HD PRO 75 1HD PRO 75 3.766 -10.126 4.596 567 2HD PRO 75 2HD PRO 75 4.121 -10.158 2.850 568 H THR 76 H THR 76 3.353 -4.773 3.181 569 HA THR 76 HA THR 76 2.262 -4.477 5.802 570 HB THR 76 HB THR 76 4.924 -3.156 5.162 571 HG1 THR 76 HG1 THR 76 4.683 -5.143 6.448 572 1HG2 THR 76 1HG2 THR 76 4.512 -1.777 7.254 573 2HG2 THR 76 2HG2 THR 76 2.802 -2.217 7.142 574 3HG2 THR 76 3HG2 THR 76 3.566 -1.278 5.841 575 H ILE 77 H ILE 77 0.486 -3.362 5.322 576 HA ILE 77 HA ILE 77 0.388 -1.786 2.785 577 HB ILE 77 HB ILE 77 -1.818 -3.186 4.364 578 1HG1 ILE 77 2HG1 ILE 77 -2.127 -4.328 2.088 579 2HG1 ILE 77 1HG1 ILE 77 -0.526 -3.734 1.655 580 1HG2 ILE 77 1HG2 ILE 77 -2.635 -1.053 3.421 581 2HG2 ILE 77 2HG2 ILE 77 -1.952 -1.495 1.841 582 3HG2 ILE 77 3HG2 ILE 77 -3.298 -2.425 2.546 583 1HD1 ILE 77 1HD1 ILE 77 -0.655 -6.121 2.479 584 2HD1 ILE 77 2HD1 ILE 77 0.490 -5.137 3.381 585 3HD1 ILE 77 3HD1 ILE 77 -1.104 -5.500 4.081 586 H MET 78 H MET 78 0.502 0.355 3.123 587 HA MET 78 HA MET 78 -0.559 1.476 5.690 588 1HB MET 78 1HB MET 78 1.698 2.426 3.917 589 2HB MET 78 2HB MET 78 0.958 3.391 5.219 590 1HG MET 78 2HG MET 78 1.530 1.557 6.820 591 2HG MET 78 1HG MET 78 2.444 0.775 5.528 592 1HE MET 78 1HE MET 78 4.134 0.810 7.688 593 2HE MET 78 2HE MET 78 3.283 2.050 8.644 594 3HE MET 78 3HE MET 78 4.992 2.273 8.225 595 H VAL 79 H VAL 79 -2.061 3.018 5.522 596 HA VAL 79 HA VAL 79 -3.014 3.707 2.762 597 HB VAL 79 HB VAL 79 -4.565 3.838 5.357 598 1HG1 VAL 79 1HG1 VAL 79 -5.863 1.939 4.423 599 2HG1 VAL 79 2HG1 VAL 79 -4.175 1.466 4.652 600 3HG1 VAL 79 3HG1 VAL 79 -4.766 1.865 3.030 601 1HG2 VAL 79 1HG2 VAL 79 -5.271 5.531 3.717 602 2HG2 VAL 79 2HG2 VAL 79 -5.369 4.290 2.452 603 3HG2 VAL 79 3HG2 VAL 79 -6.483 4.249 3.835 604 H PHE 80 H PHE 80 -2.299 5.683 2.179 605 HA PHE 80 HA PHE 80 -1.731 7.764 4.268 606 1HB PHE 80 1HB PHE 80 -0.520 7.170 1.548 607 2HB PHE 80 2HB PHE 80 -0.336 8.732 2.318 608 HD1 PHE 80 HD1 PHE 80 1.372 9.160 3.869 609 HD2 PHE 80 HD2 PHE 80 0.402 5.095 2.833 610 HE1 PHE 80 HE1 PHE 80 3.510 8.406 4.844 611 HE2 PHE 80 HE2 PHE 80 2.658 4.377 3.631 612 HZ PHE 80 HZ PHE 80 4.146 5.988 4.752 613 H LYS 81 HN LYS 81 -2.180 9.968 3.600 614 HA LYS 81 HA LYS 81 -3.580 10.549 1.147 615 1HB LYS 81 2HB LYS 81 -5.700 11.123 1.915 616 2HB LYS 81 1HB LYS 81 -5.427 9.547 2.645 617 1HG LYS 81 1HG LYS 81 -5.331 12.267 4.011 618 2HG LYS 81 2HG LYS 81 -6.536 10.992 4.192 619 1HD LYS 81 1HD LYS 81 -4.670 9.491 5.072 620 2HD LYS 81 2HD LYS 81 -3.652 10.926 5.182 621 1HE LYS 81 1HE LYS 81 -6.248 10.460 6.669 622 2HE LYS 81 2HE LYS 81 -4.605 10.557 7.335 623 1HZ LYS 81 1HZ LYS 81 -5.756 12.588 7.661 624 2HZ LYS 81 2HZ LYS 81 -4.500 12.827 6.620 625 3HZ LYS 81 3HZ LYS 81 -6.045 12.760 6.049 626 H GLY 82 H GLY 82 -3.562 12.942 0.835 627 1HA GLY 82 2HA GLY 82 -2.873 15.087 1.269 628 2HA GLY 82 1HA GLY 82 -3.603 14.748 2.859 629 H GLY 83 H GLY 83 -0.519 13.426 1.490 630 1HA GLY 83 2HA GLY 83 1.651 13.766 2.161 631 2HA GLY 83 1HA GLY 83 1.126 15.166 3.081 632 H LYS 84 HN LYS 84 -0.731 12.548 4.237 633 HA LYS 84 HA LYS 84 1.314 11.885 6.317 634 1HB LYS 84 2HB LYS 84 -1.620 12.513 6.770 635 2HB LYS 84 1HB LYS 84 -0.437 12.112 8.014 636 1HG LYS 84 2HG LYS 84 -0.367 14.625 6.276 637 2HG LYS 84 1HG LYS 84 -0.991 14.514 7.921 638 1HD LYS 84 1HD LYS 84 1.231 13.897 8.792 639 2HD LYS 84 2HD LYS 84 1.902 13.864 7.160 640 1HE LYS 84 2HE LYS 84 2.506 15.950 8.251 641 2HE LYS 84 1HE LYS 84 1.466 16.252 6.851 642 1HZ LYS 84 1HZ LYS 84 0.574 16.193 9.652 643 2HZ LYS 84 2HZ LYS 84 -0.372 16.522 8.342 644 3HZ LYS 84 3HZ LYS 84 0.843 17.551 8.757 645 H LYS 85 HN LYS 85 0.805 10.076 7.579 646 HA LYS 85 HA LYS 85 -0.209 7.788 5.999 647 1HB LYS 85 2HB LYS 85 2.098 7.821 7.093 648 2HB LYS 85 1HB LYS 85 1.281 7.868 8.647 649 1HG LYS 85 1HG LYS 85 0.055 5.673 7.329 650 2HG LYS 85 2HG LYS 85 1.702 5.657 6.726 651 1HD LYS 85 2HD LYS 85 1.887 4.321 8.579 652 2HD LYS 85 1HD LYS 85 2.403 5.855 9.266 653 1HE LYS 85 1HE LYS 85 -0.437 4.689 9.428 654 2HE LYS 85 2HE LYS 85 0.786 4.520 10.688 655 1HZ LYS 85 1HZ LYS 85 -0.750 6.265 11.140 656 2HZ LYS 85 2HZ LYS 85 0.773 6.877 10.966 657 3HZ LYS 85 3HZ LYS 85 -0.344 7.071 9.772 658 H CYS 86 H CYS 86 -2.056 6.672 6.702 659 HA CYS 86 HA CYS 86 -3.438 7.662 9.172 660 1HB CYS 86 1HB CYS 86 -4.628 8.282 7.171 661 2HB CYS 86 2HB CYS 86 -4.613 6.646 6.541 662 HG CYS 86 HG CYS 86 -5.809 7.718 9.444 663 H GLU 87 HN GLU 87 -4.028 4.774 7.157 664 HA GLU 87 HA GLU 87 -3.960 3.136 9.624 665 1HB GLU 87 1HB GLU 87 -4.680 2.175 6.853 666 2HB GLU 87 2HB GLU 87 -5.171 1.502 8.396 667 1HG GLU 87 2HG GLU 87 -6.091 4.229 7.337 668 2HG GLU 87 1HG GLU 87 -6.956 2.737 7.140 669 H THR 88 H THR 88 -2.978 0.955 9.531 670 HA THR 88 HA THR 88 -0.801 0.440 7.661 671 HB THR 88 HB THR 88 -0.304 1.167 10.573 672 HG1 THR 88 HG1 THR 88 -0.183 2.584 8.430 673 1HG2 THR 88 1HG2 THR 88 2.083 0.558 10.124 674 2HG2 THR 88 2HG2 THR 88 1.579 -0.209 8.600 675 3HG2 THR 88 3HG2 THR 88 1.014 -0.842 10.165 676 H ILE 89 H ILE 89 -0.941 -1.680 7.281 677 HA ILE 89 HA ILE 89 -1.661 -3.584 9.458 678 HB ILE 89 HB ILE 89 -1.975 -4.069 6.470 679 1HG1 ILE 89 1HG1 ILE 89 -4.071 -2.973 8.388 680 2HG1 ILE 89 2HG1 ILE 89 -3.311 -2.120 7.050 681 1HG2 ILE 89 1HG2 ILE 89 -3.281 -5.362 8.910 682 2HG2 ILE 89 2HG2 ILE 89 -1.884 -6.026 8.038 683 3HG2 ILE 89 3HG2 ILE 89 -3.438 -5.893 7.223 684 1HD1 ILE 89 1HD1 ILE 89 -5.452 -2.809 6.280 685 2HD1 ILE 89 2HD1 ILE 89 -4.201 -3.733 5.426 686 3HD1 ILE 89 3HD1 ILE 89 -5.149 -4.499 6.729 687 H ILE 90 H ILE 90 -0.145 -5.228 9.658 688 HA ILE 90 HA ILE 90 2.310 -5.173 7.931 689 HB ILE 90 HB ILE 90 2.143 -5.149 10.978 690 1HG1 ILE 90 2HG1 ILE 90 3.651 -3.246 9.138 691 2HG1 ILE 90 1HG1 ILE 90 2.003 -2.929 9.689 692 1HG2 ILE 90 1HG2 ILE 90 4.573 -5.575 9.172 693 2HG2 ILE 90 2HG2 ILE 90 4.657 -5.273 10.915 694 3HG2 ILE 90 3HG2 ILE 90 3.901 -6.740 10.334 695 1HD1 ILE 90 1HD1 ILE 90 2.771 -3.036 12.053 696 2HD1 ILE 90 2HD1 ILE 90 3.491 -1.722 11.104 697 3HD1 ILE 90 3HD1 ILE 90 4.449 -3.159 11.472 698 H GLY 91 H GLY 91 3.170 -7.142 7.450 699 1HA GLY 91 2HA GLY 91 3.738 -9.361 7.887 700 2HA GLY 91 1HA GLY 91 2.453 -9.509 9.093 701 H ALA 92 H ALA 92 2.773 -11.500 7.309 702 HA ALA 92 HA ALA 92 1.323 -11.265 4.854 703 1HB ALA 92 1HB ALA 92 3.000 -13.028 5.300 704 2HB ALA 92 2HB ALA 92 1.423 -13.731 4.875 705 3HB ALA 92 3HB ALA 92 1.957 -13.709 6.568 706 H VAL 93 H VAL 93 -0.838 -11.385 4.440 707 HA VAL 93 HA VAL 93 -2.673 -12.631 6.327 708 HB VAL 93 HB VAL 93 -3.924 -10.259 5.302 709 1HG1 VAL 93 1HG1 VAL 93 -1.575 -9.562 7.120 710 2HG1 VAL 93 2HG1 VAL 93 -1.661 -9.149 5.387 711 3HG1 VAL 93 3HG1 VAL 93 -2.822 -8.455 6.525 712 1HG2 VAL 93 1HG2 VAL 93 -3.413 -11.002 8.148 713 2HG2 VAL 93 2HG2 VAL 93 -4.782 -11.512 7.129 714 3HG2 VAL 93 3HG2 VAL 93 -4.575 -9.800 7.519 715 HA PRO 94 HA PRO 94 -4.322 -13.337 2.153 716 1HB PRO 94 1HB PRO 94 -7.046 -13.685 3.172 717 2HB PRO 94 2HB PRO 94 -5.985 -14.889 2.404 718 1HG PRO 94 2HG PRO 94 -6.622 -15.001 5.124 719 2HG PRO 94 1HG PRO 94 -5.028 -15.515 4.494 720 1HD PRO 94 2HD PRO 94 -5.785 -12.805 5.606 721 2HD PRO 94 1HD PRO 94 -4.405 -13.798 6.097 722 H LYS 95 HN LYS 95 -5.250 -11.807 0.742 723 HA LYS 95 HA LYS 95 -5.524 -9.231 1.763 724 1HB LYS 95 2HB LYS 95 -4.990 -9.806 -0.667 725 2HB LYS 95 1HB LYS 95 -6.673 -10.303 -0.869 726 1HG LYS 95 1HG LYS 95 -6.616 -8.144 -1.785 727 2HG LYS 95 2HG LYS 95 -7.308 -7.874 -0.204 728 1HD LYS 95 2HD LYS 95 -4.965 -7.183 0.568 729 2HD LYS 95 1HD LYS 95 -4.450 -7.355 -1.120 730 1HE LYS 95 1HE LYS 95 -6.258 -5.720 -1.790 731 2HE LYS 95 2HE LYS 95 -6.672 -5.522 -0.081 732 1HZ LYS 95 1HZ LYS 95 -5.259 -3.791 -0.802 733 2HZ LYS 95 2HZ LYS 95 -4.429 -4.719 0.276 734 3HZ LYS 95 3HZ LYS 95 -4.110 -4.838 -1.335 735 H ALA 96 H ALA 96 -8.066 -11.654 1.201 736 HA ALA 96 HA ALA 96 -10.390 -10.178 1.495 737 1HB ALA 96 1HB ALA 96 -9.700 -12.796 2.907 738 2HB ALA 96 2HB ALA 96 -10.317 -12.634 1.246 739 3HB ALA 96 3HB ALA 96 -11.336 -12.165 2.620 740 H THR 97 H THR 97 -7.990 -10.845 4.063 741 HA THR 97 HA THR 97 -9.683 -9.846 6.242 742 HB THR 97 HB THR 97 -6.678 -10.306 6.092 743 HG1 THR 97 HG1 THR 97 -8.056 -12.155 5.687 744 1HG2 THR 97 1HG2 THR 97 -8.587 -10.060 8.464 745 2HG2 THR 97 2HG2 THR 97 -7.305 -8.904 8.031 746 3HG2 THR 97 3HG2 THR 97 -6.883 -10.540 8.565 747 H ILE 98 H ILE 98 -7.173 -8.608 4.032 748 HA ILE 98 HA ILE 98 -6.853 -6.037 5.314 749 HB ILE 98 HB ILE 98 -6.130 -7.139 2.565 750 1HG1 ILE 98 1HG1 ILE 98 -4.397 -6.212 4.889 751 2HG1 ILE 98 2HG1 ILE 98 -4.924 -7.886 4.694 752 1HG2 ILE 98 1HG2 ILE 98 -5.691 -4.347 3.727 753 2HG2 ILE 98 2HG2 ILE 98 -6.589 -4.750 2.256 754 3HG2 ILE 98 3HG2 ILE 98 -4.845 -4.968 2.302 755 1HD1 ILE 98 1HD1 ILE 98 -2.662 -7.576 3.847 756 2HD1 ILE 98 2HD1 ILE 98 -3.221 -6.387 2.668 757 3HD1 ILE 98 3HD1 ILE 98 -3.756 -8.073 2.553 758 H VAL 99 H VAL 99 -8.922 -7.289 2.613 759 HA VAL 99 HA VAL 99 -10.182 -4.858 1.964 760 HB VAL 99 HB VAL 99 -11.430 -7.655 2.007 761 1HG1 VAL 99 1HG1 VAL 99 -12.934 -6.702 0.258 762 2HG1 VAL 99 2HG1 VAL 99 -13.159 -5.921 1.821 763 3HG1 VAL 99 3HG1 VAL 99 -12.235 -5.097 0.550 764 1HG2 VAL 99 1HG2 VAL 99 -10.878 -7.564 -0.462 765 2HG2 VAL 99 2HG2 VAL 99 -9.479 -7.708 0.582 766 3HG2 VAL 99 3HG2 VAL 99 -9.868 -6.134 -0.117 767 H GLN 100 H GLN 100 -11.254 -7.357 4.361 768 HA GLN 100 HA GLN 100 -13.404 -5.900 5.464 769 1HB GLN 100 2HB GLN 100 -11.470 -7.919 6.660 770 2HB GLN 100 1HB GLN 100 -12.843 -7.267 7.570 771 1HG GLN 100 1HG GLN 100 -14.433 -8.098 6.035 772 2HG GLN 100 2HG GLN 100 -13.226 -8.500 4.812 773 1HE2 GLN 100 1HE2 GLN 100 -11.734 -10.237 5.202 774 2HE2 GLN 100 2HE2 GLN 100 -12.185 -11.552 6.298 775 H THR 101 H THR 101 -9.950 -5.776 6.303 776 HA THR 101 HA THR 101 -10.165 -3.921 8.456 777 HB THR 101 HB THR 101 -7.818 -4.228 6.540 778 HG1 THR 101 HG1 THR 101 -8.474 -6.205 7.532 779 1HG2 THR 101 1HG2 THR 101 -6.528 -3.542 8.580 780 2HG2 THR 101 2HG2 THR 101 -8.060 -3.136 9.371 781 3HG2 THR 101 3HG2 THR 101 -7.548 -2.262 7.911 782 H VAL 102 H VAL 102 -9.937 -3.355 4.876 783 HA VAL 102 HA VAL 102 -9.845 -0.471 5.151 784 HB VAL 102 HB VAL 102 -10.779 -2.233 2.842 785 1HG1 VAL 102 1HG1 VAL 102 -8.347 -2.431 3.406 786 2HG1 VAL 102 2HG1 VAL 102 -8.632 -1.670 1.836 787 3HG1 VAL 102 3HG1 VAL 102 -8.195 -0.673 3.243 788 1HG2 VAL 102 1HG2 VAL 102 -10.227 0.766 2.915 789 2HG2 VAL 102 2HG2 VAL 102 -10.508 -0.197 1.449 790 3HG2 VAL 102 3HG2 VAL 102 -11.801 -0.002 2.630 791 H GLU 103 HN GLU 103 -12.479 -2.802 4.543 792 HA GLU 103 HA GLU 103 -14.580 -1.050 4.308 793 1HB GLU 103 1HB GLU 103 -14.645 -3.808 5.617 794 2HB GLU 103 2HB GLU 103 -16.016 -2.881 5.034 795 1HG GLU 103 2HG GLU 103 -14.304 -2.901 2.798 796 2HG GLU 103 1HG GLU 103 -14.041 -4.479 3.530 797 H LYS 104 HN LYS 104 -13.427 -2.449 7.380 798 HA LYS 104 HA LYS 104 -15.423 -1.231 9.000 799 1HB LYS 104 1HB LYS 104 -13.840 -1.441 10.881 800 2HB LYS 104 2HB LYS 104 -13.988 -2.928 9.928 801 1HG LYS 104 2HG LYS 104 -11.865 -2.728 9.050 802 2HG LYS 104 1HG LYS 104 -11.781 -0.982 9.274 803 1HD LYS 104 2HD LYS 104 -10.234 -1.921 10.730 804 2HD LYS 104 1HD LYS 104 -11.536 -1.237 11.700 805 1HE LYS 104 2HE LYS 104 -11.305 -4.215 10.978 806 2HE LYS 104 1HE LYS 104 -10.615 -3.508 12.446 807 1HZ LYS 104 1HZ LYS 104 -12.719 -4.452 12.896 808 2HZ LYS 104 2HZ LYS 104 -12.801 -2.819 13.095 809 3HZ LYS 104 3HZ LYS 104 -13.461 -3.523 11.760 810 H TYR 105 H TYR 105 -12.688 0.315 7.396 811 HA TYR 105 HA TYR 105 -12.917 2.738 9.098 812 1HB TYR 105 1HB TYR 105 -11.136 2.283 6.691 813 2HB TYR 105 2HB TYR 105 -11.000 3.516 7.943 814 HD1 TYR 105 HD1 TYR 105 -9.057 1.238 6.769 815 HD2 TYR 105 HD2 TYR 105 -11.164 1.955 10.463 816 HE1 TYR 105 HE1 TYR 105 -7.277 0.062 8.016 817 HE2 TYR 105 HE2 TYR 105 -9.397 0.755 11.700 818 HH TYR 105 HH TYR 105 -7.338 -0.295 11.559 819 H LEU 106 H LEU 106 -13.198 1.711 5.667 820 HA LEU 106 HA LEU 106 -14.888 4.131 5.084 821 1HB LEU 106 2HB LEU 106 -12.876 2.633 3.359 822 2HB LEU 106 1HB LEU 106 -14.147 3.686 2.721 823 HG LEU 106 HG LEU 106 -13.222 5.591 4.049 824 1HD1 LEU 106 1HD1 LEU 106 -11.413 4.245 1.994 825 2HD1 LEU 106 2HD1 LEU 106 -11.367 5.964 2.440 826 3HD1 LEU 106 3HD1 LEU 106 -12.804 5.301 1.652 827 1HD2 LEU 106 1HD2 LEU 106 -10.769 5.387 4.663 828 2HD2 LEU 106 2HD2 LEU 106 -10.935 3.625 4.528 829 3HD2 LEU 106 3HD2 LEU 106 -11.859 4.537 5.748 830 H ASN 107 H ASN 107 -14.408 1.327 2.973 831 HA ASN 107 HA ASN 107 -16.661 -0.203 3.545 832 1HB ASN 107 1HB ASN 107 -17.717 2.000 2.547 833 2HB ASN 107 2HB ASN 107 -16.986 1.482 1.027 834 1HD2 ASN 107 2HD2 ASN 107 -17.448 -1.364 1.241 835 2HD2 ASN 107 1HD2 ASN 107 -19.197 -1.617 1.216 Start of MODEL 16 1 1H MET 1 1H MET 1 -1.903 -3.086 -11.436 2 2H MET 1 2H MET 1 -1.236 -1.590 -11.506 3 3H MET 1 3H MET 1 -0.643 -2.816 -12.456 4 HA MET 1 HA MET 1 -1.840 -1.501 -13.893 5 1HB MET 1 1HB MET 1 -2.323 -3.878 -14.192 6 2HB MET 1 2HB MET 1 -3.597 -3.842 -12.971 7 1HG MET 1 2HG MET 1 -4.478 -3.815 -15.286 8 2HG MET 1 1HG MET 1 -4.968 -2.386 -14.383 9 1HE MET 1 1HE MET 1 -5.620 -2.122 -17.183 10 2HE MET 1 2HE MET 1 -4.797 -0.647 -17.745 11 3HE MET 1 3HE MET 1 -5.567 -0.675 -16.143 12 H GLU 2 HN GLU 2 -4.573 -2.451 -11.728 13 HA GLU 2 HA GLU 2 -5.669 0.258 -11.845 14 1HB GLU 2 1HB GLU 2 -6.352 -2.153 -10.092 15 2HB GLU 2 2HB GLU 2 -7.289 -0.653 -10.203 16 1HG GLU 2 1HG GLU 2 -6.797 -2.661 -12.459 17 2HG GLU 2 2HG GLU 2 -8.285 -2.472 -11.535 18 H ALA 3 H ALA 3 -3.877 -1.828 -9.625 19 HA ALA 3 HA ALA 3 -3.321 0.367 -7.743 20 1HB ALA 3 1HB ALA 3 -1.673 -1.238 -6.781 21 2HB ALA 3 2HB ALA 3 -2.081 -2.397 -8.067 22 3HB ALA 3 3HB ALA 3 -3.302 -1.914 -6.866 23 H GLY 4 H GLY 4 -1.495 1.747 -7.872 24 1HA GLY 4 1HA GLY 4 0.106 1.622 -10.363 25 2HA GLY 4 2HA GLY 4 0.133 2.875 -9.119 26 H ALA 5 H ALA 5 2.559 2.337 -9.813 27 HA ALA 5 HA ALA 5 3.701 0.506 -7.757 28 1HB ALA 5 1HB ALA 5 5.587 0.138 -9.293 29 2HB ALA 5 2HB ALA 5 4.067 -0.457 -9.994 30 3HB ALA 5 3HB ALA 5 4.763 1.082 -10.554 31 H VAL 6 H VAL 6 5.270 1.563 -6.474 32 HA VAL 6 HA VAL 6 6.097 4.298 -7.305 33 HB VAL 6 HB VAL 6 5.794 4.906 -4.775 34 1HG1 VAL 6 1HG1 VAL 6 5.110 2.732 -3.927 35 2HG1 VAL 6 2HG1 VAL 6 3.681 2.724 -4.972 36 3HG1 VAL 6 3HG1 VAL 6 3.842 3.930 -3.684 37 1HG2 VAL 6 1HG2 VAL 6 4.680 6.118 -6.464 38 2HG2 VAL 6 2HG2 VAL 6 3.514 4.813 -6.744 39 3HG2 VAL 6 3HG2 VAL 6 3.502 5.717 -5.207 40 H ASN 7 H ASN 7 7.746 5.196 -5.980 41 HA ASN 7 HA ASN 7 9.526 3.393 -4.558 42 1HB ASN 7 2HB ASN 7 10.562 3.186 -6.729 43 2HB ASN 7 1HB ASN 7 10.204 4.886 -7.108 44 1HD2 ASN 7 1HD2 ASN 7 12.160 3.006 -4.696 45 2HD2 ASN 7 2HD2 ASN 7 13.543 4.068 -4.834 46 H ASP 8 HN ASP 8 11.252 4.855 -3.646 47 HA ASP 8 HA ASP 8 10.331 6.782 -1.910 48 1HB ASP 8 2HB ASP 8 12.666 5.751 -2.067 49 2HB ASP 8 1HB ASP 8 13.043 6.910 -3.326 50 H ASP 9 HN ASP 9 11.621 7.353 -5.137 51 HA ASP 9 HA ASP 9 11.417 10.185 -5.231 52 1HB ASP 9 2HB ASP 9 12.590 8.881 -6.928 53 2HB ASP 9 1HB ASP 9 11.107 8.104 -7.456 54 H THR 10 H THR 10 9.135 7.959 -6.864 55 HA THR 10 HA THR 10 7.172 9.926 -7.386 56 HB THR 10 HB THR 10 5.761 7.811 -7.826 57 HG1 THR 10 HG1 THR 10 7.208 5.940 -7.960 58 1HG2 THR 10 1HG2 THR 10 8.513 8.032 -9.137 59 2HG2 THR 10 2HG2 THR 10 7.086 8.992 -9.568 60 3HG2 THR 10 3HG2 THR 10 7.082 7.239 -9.825 61 H PHE 11 H PHE 11 7.587 7.790 -4.648 62 HA PHE 11 HA PHE 11 5.249 7.726 -3.278 63 1HB PHE 11 2HB PHE 11 7.520 6.864 -2.596 64 2HB PHE 11 1HB PHE 11 7.942 8.473 -2.063 65 HD1 PHE 11 HD1 PHE 11 5.844 5.506 -1.434 66 HD2 PHE 11 HD2 PHE 11 7.098 9.347 0.044 67 HE1 PHE 11 HE1 PHE 11 5.175 4.839 0.847 68 HE2 PHE 11 HE2 PHE 11 6.416 8.709 2.313 69 HZ PHE 11 HZ PHE 11 5.440 6.438 2.743 70 H LYS 12 HN LYS 12 7.509 10.351 -3.367 71 HA LYS 12 HA LYS 12 6.493 12.196 -1.511 72 1HB LYS 12 2HB LYS 12 7.699 12.789 -4.251 73 2HB LYS 12 1HB LYS 12 7.565 13.943 -2.934 74 1HG LYS 12 1HG LYS 12 9.097 11.308 -2.717 75 2HG LYS 12 2HG LYS 12 9.843 12.811 -3.233 76 1HD LYS 12 2HD LYS 12 10.107 13.514 -1.109 77 2HD LYS 12 1HD LYS 12 8.410 13.247 -0.723 78 1HE LYS 12 2HE LYS 12 9.866 11.884 0.729 79 2HE LYS 12 1HE LYS 12 8.848 10.855 -0.286 80 1HZ LYS 12 1HZ LYS 12 10.694 10.501 -1.734 81 2HZ LYS 12 2HZ LYS 12 11.122 10.094 -0.211 82 3HZ LYS 12 3HZ LYS 12 11.656 11.515 -0.854 83 H ASN 13 H ASN 13 5.578 11.764 -4.917 84 HA ASN 13 HA ASN 13 3.480 13.832 -4.808 85 1HB ASN 13 2HB ASN 13 4.551 11.894 -6.904 86 2HB ASN 13 1HB ASN 13 3.062 12.766 -7.169 87 1HD2 ASN 13 2HD2 ASN 13 3.541 15.370 -6.378 88 2HD2 ASN 13 1HD2 ASN 13 5.028 15.983 -7.082 89 H VAL 14 H VAL 14 3.649 10.391 -5.598 90 HA VAL 14 HA VAL 14 0.823 10.080 -5.862 91 HB VAL 14 HB VAL 14 3.114 8.075 -5.571 92 1HG1 VAL 14 1HG1 VAL 14 1.791 9.266 -8.052 93 2HG1 VAL 14 2HG1 VAL 14 3.450 9.588 -7.513 94 3HG1 VAL 14 3HG1 VAL 14 3.005 7.973 -8.058 95 1HG2 VAL 14 1HG2 VAL 14 0.280 7.734 -6.612 96 2HG2 VAL 14 2HG2 VAL 14 1.020 6.903 -5.218 97 3HG2 VAL 14 3HG2 VAL 14 1.589 6.557 -6.861 98 H VAL 15 H VAL 15 2.957 9.655 -3.056 99 HA VAL 15 HA VAL 15 0.701 8.374 -1.583 100 HB VAL 15 HB VAL 15 3.673 8.298 -0.972 101 1HG1 VAL 15 1HG1 VAL 15 2.991 6.517 0.583 102 2HG1 VAL 15 2HG1 VAL 15 1.286 6.827 0.188 103 3HG1 VAL 15 3HG1 VAL 15 2.263 8.059 1.010 104 1HG2 VAL 15 1HG2 VAL 15 3.566 5.985 -1.797 105 2HG2 VAL 15 2HG2 VAL 15 3.199 7.120 -3.090 106 3HG2 VAL 15 3HG2 VAL 15 1.885 6.242 -2.312 107 H LEU 16 H LEU 16 3.435 10.671 -0.939 108 HA LEU 16 HA LEU 16 2.118 11.542 1.507 109 1HB LEU 16 2HB LEU 16 4.457 12.688 -0.073 110 2HB LEU 16 1HB LEU 16 3.889 13.329 1.459 111 HG LEU 16 HG LEU 16 4.976 10.520 0.949 112 1HD1 LEU 16 1HD2 LEU 16 6.197 12.893 2.426 113 2HD1 LEU 16 2HD2 LEU 16 6.935 11.288 2.240 114 3HD1 LEU 16 3HD2 LEU 16 6.685 12.317 0.821 115 1HD2 LEU 16 1HD1 LEU 16 4.080 11.866 3.537 116 2HD2 LEU 16 2HD1 LEU 16 5.072 10.399 3.482 117 3HD2 LEU 16 3HD1 LEU 16 3.435 10.367 2.825 118 H GLU 17 HN GLU 17 2.983 13.564 -1.353 119 HA GLU 17 HA GLU 17 0.933 15.493 -0.658 120 1HB GLU 17 2HB GLU 17 2.720 15.216 -3.105 121 2HB GLU 17 1HB GLU 17 1.812 16.654 -2.643 122 1HG GLU 17 2HG GLU 17 3.151 16.931 -0.617 123 2HG GLU 17 1HG GLU 17 4.031 15.429 -0.928 124 H SER 18 H SER 18 -0.475 13.199 -0.948 125 HA SER 18 HA SER 18 -1.640 13.008 -3.648 126 1HB SER 18 2HB SER 18 -2.835 11.085 -2.539 127 2HB SER 18 1HB SER 18 -1.072 10.942 -2.539 128 HG SER 18 HG SER 18 -1.051 11.063 -0.429 129 H SER 19 H SER 19 -3.891 13.462 -3.990 130 HA SER 19 HA SER 19 -5.079 15.476 -2.223 131 1HB SER 19 2HB SER 19 -6.819 15.317 -4.129 132 2HB SER 19 1HB SER 19 -5.196 15.896 -4.562 133 HG SER 19 HG SER 19 -5.886 14.259 -6.013 134 H VAL 20 H VAL 20 -6.253 12.584 -3.847 135 HA VAL 20 HA VAL 20 -8.234 11.990 -1.782 136 HB VAL 20 HB VAL 20 -8.846 10.110 -3.236 137 1HG1 VAL 20 1HG2 VAL 20 -7.669 9.754 -5.413 138 2HG1 VAL 20 2HG2 VAL 20 -6.370 10.823 -4.878 139 3HG1 VAL 20 3HG2 VAL 20 -6.694 9.304 -4.017 140 1HG2 VAL 20 1HG1 VAL 20 -9.671 12.389 -3.773 141 2HG2 VAL 20 2HG1 VAL 20 -9.541 11.340 -5.195 142 3HG2 VAL 20 3HG1 VAL 20 -8.323 12.597 -4.913 143 HA PRO 21 HA PRO 21 -5.855 9.230 0.720 144 1HB PRO 21 1HB PRO 21 -8.010 7.163 0.158 145 2HB PRO 21 2HB PRO 21 -7.206 7.502 1.721 146 1HG PRO 21 2HG PRO 21 -9.618 8.539 1.217 147 2HG PRO 21 1HG PRO 21 -8.364 9.623 1.891 148 1HD PRO 21 1HD PRO 21 -9.316 9.424 -0.967 149 2HD PRO 21 2HD PRO 21 -8.886 10.862 -0.002 150 H VAL 22 H VAL 22 -4.767 7.102 0.764 151 HA VAL 22 HA VAL 22 -4.186 5.872 -1.842 152 HB VAL 22 HB VAL 22 -2.044 6.907 0.040 153 1HG1 VAL 22 1HG1 VAL 22 -1.663 6.156 -2.861 154 2HG1 VAL 22 2HG1 VAL 22 -1.368 5.052 -1.499 155 3HG1 VAL 22 3HG1 VAL 22 -0.445 6.530 -1.650 156 1HG2 VAL 22 1HG2 VAL 22 -3.112 8.920 -0.770 157 2HG2 VAL 22 2HG2 VAL 22 -3.093 8.318 -2.441 158 3HG2 VAL 22 3HG2 VAL 22 -1.580 8.712 -1.610 159 H LEU 23 H LEU 23 -3.270 3.749 -1.608 160 HA LEU 23 HA LEU 23 -2.868 2.680 1.146 161 1HB LEU 23 1HB LEU 23 -5.095 2.025 0.476 162 2HB LEU 23 2HB LEU 23 -4.513 1.297 -1.022 163 HG LEU 23 HG LEU 23 -3.455 0.406 1.696 164 1HD1 LEU 23 1HD1 LEU 23 -3.712 -0.953 -1.031 165 2HD1 LEU 23 2HD1 LEU 23 -3.318 -1.831 0.451 166 3HD1 LEU 23 3HD1 LEU 23 -2.209 -0.608 -0.149 167 1HD2 LEU 23 1HD2 LEU 23 -5.935 -0.677 0.312 168 2HD2 LEU 23 2HD2 LEU 23 -5.185 -1.316 1.788 169 3HD2 LEU 23 3HD2 LEU 23 -5.914 0.295 1.806 170 H VAL 24 H VAL 24 -0.678 2.383 1.070 171 HA VAL 24 HA VAL 24 0.581 1.494 -1.489 172 HB VAL 24 HB VAL 24 1.835 2.613 1.042 173 1HG1 VAL 24 1HG1 VAL 24 2.986 2.054 -1.731 174 2HG1 VAL 24 2HG1 VAL 24 3.395 1.177 -0.241 175 3HG1 VAL 24 3HG1 VAL 24 3.833 2.879 -0.406 176 1HG2 VAL 24 1HG2 VAL 24 0.501 4.352 -0.050 177 2HG2 VAL 24 2HG2 VAL 24 2.224 4.615 -0.350 178 3HG2 VAL 24 3HG2 VAL 24 1.208 3.931 -1.631 179 H ASP 25 HN ASP 25 1.076 -0.678 -1.649 180 HA ASP 25 HA ASP 25 1.431 -2.262 0.865 181 1HB ASP 25 1HB ASP 25 -0.101 -3.287 -0.704 182 2HB ASP 25 2HB ASP 25 1.078 -3.116 -2.016 183 H PHE 26 H PHE 26 3.516 -2.394 1.572 184 HA PHE 26 HA PHE 26 5.766 -1.731 -0.223 185 1HB PHE 26 2HB PHE 26 5.574 -2.628 2.670 186 2HB PHE 26 1HB PHE 26 7.082 -2.411 1.798 187 HD1 PHE 26 HD1 PHE 26 3.945 -0.233 2.047 188 HD2 PHE 26 HD2 PHE 26 8.222 -0.578 2.574 189 HE1 PHE 26 HE1 PHE 26 4.059 2.119 2.715 190 HE2 PHE 26 HE2 PHE 26 8.266 1.702 3.524 191 HZ PHE 26 HZ PHE 26 6.174 3.068 3.583 192 H TRP 27 H TRP 27 6.415 -3.262 -1.654 193 HA TRP 27 HA TRP 27 6.263 -6.140 -0.844 194 1HB TRP 27 1HB TRP 27 5.447 -6.745 -2.996 195 2HB TRP 27 2HB TRP 27 4.434 -5.422 -2.476 196 HD1 TRP 27 HD1 TRP 27 5.285 -2.966 -3.583 197 HE1 TRP 27 HE1 TRP 27 6.449 -2.415 -5.836 198 HE3 TRP 27 HE3 TRP 27 6.524 -7.714 -5.040 199 HZ2 TRP 27 HZ2 TRP 27 7.966 -3.866 -7.824 200 HZ3 TRP 27 HZ3 TRP 27 7.714 -8.089 -7.153 201 HH2 TRP 27 HH2 TRP 27 8.425 -6.180 -8.568 202 H ALA 28 H ALA 28 7.458 -7.365 -2.734 203 HA ALA 28 HA ALA 28 9.612 -6.092 -4.037 204 1HB ALA 28 1HB ALA 28 10.711 -6.052 -1.812 205 2HB ALA 28 2HB ALA 28 10.402 -7.800 -1.633 206 3HB ALA 28 3HB ALA 28 11.511 -7.211 -2.885 207 HA PRO 29 HA PRO 29 8.881 -9.860 -6.316 208 1HB PRO 29 1HB PRO 29 11.440 -10.470 -7.275 209 2HB PRO 29 2HB PRO 29 10.282 -9.306 -7.993 210 1HG PRO 29 1HG PRO 29 12.573 -8.710 -6.095 211 2HG PRO 29 2HG PRO 29 12.140 -7.852 -7.605 212 1HD PRO 29 2HD PRO 29 11.327 -6.792 -5.282 213 2HD PRO 29 1HD PRO 29 10.171 -6.934 -6.591 214 H TRP 30 H TRP 30 11.841 -10.012 -4.236 215 HA TRP 30 HA TRP 30 11.713 -12.868 -3.950 216 1HB TRP 30 2HB TRP 30 13.265 -12.511 -2.074 217 2HB TRP 30 1HB TRP 30 13.762 -11.705 -3.554 218 HD1 TRP 30 HD1 TRP 30 14.329 -9.235 -3.403 219 HE1 TRP 30 HE1 TRP 30 14.258 -7.414 -1.615 220 HE3 TRP 30 HE3 TRP 30 11.772 -11.778 0.249 221 HZ2 TRP 30 HZ2 TRP 30 13.062 -7.031 0.987 222 HZ3 TRP 30 HZ3 TRP 30 11.093 -10.619 2.321 223 HH2 TRP 30 HH2 TRP 30 11.649 -8.226 2.665 224 H CYS 31 H CYS 31 9.712 -10.366 -2.542 225 HA CYS 31 HA CYS 31 9.277 -11.804 -0.007 226 1HB CYS 31 2HB CYS 31 9.167 -9.413 0.044 227 2HB CYS 31 1HB CYS 31 7.923 -9.386 -1.208 228 H GLY 32 H GLY 32 8.740 -13.822 -0.971 229 1HA GLY 32 2HA GLY 32 6.858 -14.771 -2.549 230 2HA GLY 32 1HA GLY 32 7.014 -15.431 -0.920 231 HA PRO 33 HA PRO 33 2.955 -14.250 0.212 232 1HB PRO 33 2HB PRO 33 3.042 -12.361 2.262 233 2HB PRO 33 1HB PRO 33 3.192 -14.131 2.437 234 1HG PRO 33 2HG PRO 33 5.380 -12.076 2.333 235 2HG PRO 33 1HG PRO 33 5.261 -13.517 3.373 236 1HD PRO 33 1HD PRO 33 6.801 -13.398 1.158 237 2HD PRO 33 2HD PRO 33 5.975 -14.926 1.585 238 H CYS 34 H CYS 34 5.021 -11.373 -0.095 239 HA CYS 34 HA CYS 34 2.919 -9.489 -0.655 240 1HB CYS 34 2HB CYS 34 5.721 -9.293 -1.804 241 2HB CYS 34 1HB CYS 34 4.527 -8.042 -1.497 242 H ARG 35 HN ARG 35 5.037 -11.533 -2.661 243 HA ARG 35 HA ARG 35 4.303 -10.684 -5.229 244 1HB ARG 35 2HB ARG 35 6.156 -12.296 -4.420 245 2HB ARG 35 1HB ARG 35 4.938 -13.566 -4.487 246 1HG ARG 35 2HG ARG 35 4.528 -12.902 -6.928 247 2HG ARG 35 1HG ARG 35 5.977 -11.887 -6.792 248 1HD ARG 35 1HD ARG 35 5.756 -14.888 -6.365 249 2HD ARG 35 2HD ARG 35 6.582 -14.084 -7.709 250 HE ARG 35 HE ARG 35 8.034 -13.023 -5.818 251 1HH1 ARG 35 1HH2 ARG 35 6.949 -16.411 -5.824 252 2HH1 ARG 35 2HH2 ARG 35 8.163 -16.905 -4.678 253 1HH2 ARG 35 1HH1 ARG 35 9.532 -13.642 -4.422 254 2HH2 ARG 35 2HH1 ARG 35 9.694 -15.285 -3.830 255 H ILE 36 H ILE 36 2.972 -13.423 -3.325 256 HA ILE 36 HA ILE 36 0.923 -13.968 -5.315 257 HB ILE 36 HB ILE 36 -0.040 -15.493 -3.671 258 1HG1 ILE 36 1HG1 ILE 36 2.144 -14.599 -1.767 259 2HG1 ILE 36 2HG1 ILE 36 0.470 -14.031 -1.640 260 1HG2 ILE 36 1HG2 ILE 36 3.018 -15.666 -3.767 261 2HG2 ILE 36 2HG2 ILE 36 1.934 -16.107 -5.098 262 3HG2 ILE 36 3HG2 ILE 36 1.882 -17.015 -3.583 263 1HD1 ILE 36 1HD1 ILE 36 0.781 -15.781 -0.091 264 2HD1 ILE 36 2HD1 ILE 36 -0.324 -16.318 -1.376 265 3HD1 ILE 36 3HD1 ILE 36 1.372 -16.887 -1.351 266 H ILE 37 H ILE 37 0.948 -11.953 -2.385 267 HA ILE 37 HA ILE 37 -1.864 -11.336 -2.501 268 HB ILE 37 HB ILE 37 0.553 -10.160 -1.105 269 1HG1 ILE 37 1HG1 ILE 37 -2.054 -11.384 -0.072 270 2HG1 ILE 37 2HG1 ILE 37 -0.624 -12.346 -0.449 271 1HG2 ILE 37 1HG2 ILE 37 -0.670 -8.197 -1.420 272 2HG2 ILE 37 2HG2 ILE 37 -1.090 -8.710 0.193 273 3HG2 ILE 37 3HG2 ILE 37 -2.248 -8.988 -1.120 274 1HD1 ILE 37 1HD1 ILE 37 -0.639 -11.979 1.881 275 2HD1 ILE 37 2HD1 ILE 37 -0.823 -10.231 1.724 276 3HD1 ILE 37 3HD1 ILE 37 0.692 -11.015 1.213 277 H ALA 38 H ALA 38 0.933 -9.738 -4.038 278 HA ALA 38 HA ALA 38 0.061 -7.350 -4.798 279 1HB ALA 38 1HB ALA 38 1.454 -9.279 -6.709 280 2HB ALA 38 2HB ALA 38 1.441 -7.514 -6.804 281 3HB ALA 38 3HB ALA 38 2.229 -8.316 -5.437 282 HA PRO 39 HA PRO 39 -2.571 -8.703 -8.617 283 1HB PRO 39 1HB PRO 39 -3.670 -11.352 -7.783 284 2HB PRO 39 2HB PRO 39 -3.083 -10.843 -9.389 285 1HG PRO 39 2HG PRO 39 -1.625 -12.556 -7.831 286 2HG PRO 39 1HG PRO 39 -0.811 -11.260 -8.766 287 1HD PRO 39 1HD PRO 39 -1.740 -11.134 -5.878 288 2HD PRO 39 2HD PRO 39 -0.084 -10.857 -6.502 289 H VAL 40 H VAL 40 -3.252 -9.851 -5.325 290 HA VAL 40 HA VAL 40 -6.071 -9.278 -5.340 291 HB VAL 40 HB VAL 40 -4.249 -9.582 -2.905 292 1HG1 VAL 40 1HG1 VAL 40 -6.501 -8.732 -2.496 293 2HG1 VAL 40 2HG1 VAL 40 -6.232 -10.345 -1.811 294 3HG1 VAL 40 3HG1 VAL 40 -7.179 -10.166 -3.308 295 1HG2 VAL 40 1HG2 VAL 40 -4.898 -11.995 -2.949 296 2HG2 VAL 40 2HG2 VAL 40 -5.626 -11.757 -4.551 297 3HG2 VAL 40 3HG2 VAL 40 -3.872 -11.582 -4.322 298 H VAL 41 H VAL 41 -3.073 -7.645 -4.233 299 HA VAL 41 HA VAL 41 -4.262 -5.284 -3.188 300 HB VAL 41 HB VAL 41 -1.646 -5.485 -4.767 301 1HG1 VAL 41 1HG1 VAL 41 -2.137 -5.792 -1.781 302 2HG1 VAL 41 2HG1 VAL 41 -0.551 -5.735 -2.591 303 3HG1 VAL 41 3HG1 VAL 41 -1.657 -7.059 -2.924 304 1HG2 VAL 41 1HG2 VAL 41 -2.251 -3.178 -4.531 305 2HG2 VAL 41 2HG2 VAL 41 -0.992 -3.527 -3.346 306 3HG2 VAL 41 3HG2 VAL 41 -2.676 -3.401 -2.811 307 H ASP 42 HN ASP 42 -3.375 -6.174 -6.518 308 HA ASP 42 HA ASP 42 -4.217 -3.729 -7.722 309 1HB ASP 42 2HB ASP 42 -2.838 -5.948 -8.582 310 2HB ASP 42 1HB ASP 42 -4.399 -6.205 -9.364 311 H GLU 43 HN GLU 43 -6.014 -6.887 -7.413 312 HA GLU 43 HA GLU 43 -8.298 -5.854 -8.766 313 1HB GLU 43 1HB GLU 43 -9.339 -7.774 -8.287 314 2HB GLU 43 2HB GLU 43 -7.670 -8.316 -8.110 315 1HG GLU 43 2HG GLU 43 -7.998 -7.956 -5.573 316 2HG GLU 43 1HG GLU 43 -9.707 -7.675 -5.923 317 H ILE 44 H ILE 44 -7.375 -5.827 -5.306 318 HA ILE 44 HA ILE 44 -9.749 -4.618 -4.306 319 HB ILE 44 HB ILE 44 -6.848 -4.563 -3.377 320 1HG1 ILE 44 2HG1 ILE 44 -9.390 -5.945 -2.381 321 2HG1 ILE 44 1HG1 ILE 44 -8.118 -6.736 -3.283 322 1HG2 ILE 44 1HG2 ILE 44 -8.009 -2.481 -2.573 323 2HG2 ILE 44 2HG2 ILE 44 -9.270 -3.511 -1.856 324 3HG2 ILE 44 3HG2 ILE 44 -7.594 -3.576 -1.273 325 1HD1 ILE 44 1HD1 ILE 44 -7.784 -7.292 -0.976 326 2HD1 ILE 44 2HD1 ILE 44 -7.913 -5.611 -0.471 327 3HD1 ILE 44 3HD1 ILE 44 -6.502 -6.150 -1.420 328 H ALA 45 H ALA 45 -6.755 -3.166 -5.726 329 HA ALA 45 HA ALA 45 -7.579 -0.471 -5.524 330 1HB ALA 45 1HB ALA 45 -5.380 -1.392 -6.422 331 2HB ALA 45 2HB ALA 45 -6.184 -1.642 -7.961 332 3HB ALA 45 3HB ALA 45 -6.088 -0.013 -7.330 333 H GLY 46 H GLY 46 -8.240 -2.873 -8.136 334 1HA GLY 46 1HA GLY 46 -9.839 -1.310 -9.823 335 2HA GLY 46 2HA GLY 46 -10.037 -3.056 -9.570 336 H GLU 47 HN GLU 47 -10.848 -3.187 -6.912 337 HA GLU 47 HA GLU 47 -13.606 -2.527 -7.055 338 1HB GLU 47 1HB GLU 47 -11.825 -3.293 -4.713 339 2HB GLU 47 2HB GLU 47 -13.580 -3.209 -4.642 340 1HG GLU 47 1HG GLU 47 -13.818 -4.964 -6.300 341 2HG GLU 47 2HG GLU 47 -12.081 -5.035 -6.573 342 H TYR 48 H TYR 48 -10.971 -0.946 -5.235 343 HA TYR 48 HA TYR 48 -12.908 1.206 -4.376 344 1HB TYR 48 2HB TYR 48 -10.337 0.201 -3.109 345 2HB TYR 48 1HB TYR 48 -11.339 1.508 -2.480 346 HD1 TYR 48 HD1 TYR 48 -13.728 1.079 -1.803 347 HD2 TYR 48 HD2 TYR 48 -10.971 -2.110 -2.675 348 HE1 TYR 48 HE1 TYR 48 -15.287 -0.540 -0.786 349 HE2 TYR 48 HE2 TYR 48 -12.550 -3.745 -1.677 350 HH TYR 48 HH TYR 48 -15.558 -2.724 -0.058 351 H LYS 49 HN LYS 49 -11.146 1.134 -6.901 352 HA LYS 49 HA LYS 49 -9.227 3.080 -6.866 353 1HB LYS 49 2HB LYS 49 -9.813 3.441 -9.287 354 2HB LYS 49 1HB LYS 49 -9.630 1.761 -8.824 355 1HG LYS 49 2HG LYS 49 -12.148 1.586 -8.633 356 2HG LYS 49 1HG LYS 49 -12.267 3.253 -9.220 357 1HD LYS 49 2HD LYS 49 -11.044 2.570 -11.300 358 2HD LYS 49 1HD LYS 49 -10.981 0.904 -10.697 359 1HE LYS 49 2HE LYS 49 -13.496 2.500 -11.375 360 2HE LYS 49 1HE LYS 49 -12.811 1.146 -12.292 361 1HZ LYS 49 1HZ LYS 49 -13.167 -0.210 -10.280 362 2HZ LYS 49 2HZ LYS 49 -14.564 0.342 -10.974 363 3HZ LYS 49 3HZ LYS 49 -13.978 1.043 -9.604 364 H ASP 50 HN ASP 50 -9.312 5.180 -7.958 365 HA ASP 50 HA ASP 50 -9.780 7.374 -8.088 366 1HB ASP 50 1HB ASP 50 -12.696 6.590 -7.592 367 2HB ASP 50 2HB ASP 50 -12.112 8.201 -7.976 368 H LYS 51 HN LYS 51 -11.549 5.942 -5.342 369 HA LYS 51 HA LYS 51 -11.002 8.347 -3.692 370 1HB LYS 51 1HB LYS 51 -12.130 5.663 -2.845 371 2HB LYS 51 2HB LYS 51 -12.119 7.156 -1.905 372 1HG LYS 51 1HG LYS 51 -13.472 8.233 -3.791 373 2HG LYS 51 2HG LYS 51 -13.672 6.618 -4.485 374 1HD LYS 51 2HD LYS 51 -14.566 7.511 -1.699 375 2HD LYS 51 1HD LYS 51 -15.611 7.303 -3.113 376 1HE LYS 51 1HE LYS 51 -14.985 4.873 -3.192 377 2HE LYS 51 2HE LYS 51 -14.040 5.090 -1.705 378 1HZ LYS 51 1HZ LYS 51 -16.034 5.761 -0.596 379 2HZ LYS 51 2HZ LYS 51 -16.921 5.553 -1.970 380 3HZ LYS 51 3HZ LYS 51 -16.204 4.258 -1.248 381 H LEU 52 H LEU 52 -10.049 4.919 -3.759 382 HA LEU 52 HA LEU 52 -7.854 5.496 -1.838 383 1HB LEU 52 1HB LEU 52 -9.647 3.682 -1.437 384 2HB LEU 52 2HB LEU 52 -8.863 2.788 -2.742 385 HG LEU 52 HG LEU 52 -6.675 3.023 -1.419 386 1HD1 LEU 52 1HD1 LEU 52 -7.247 4.822 0.148 387 2HD1 LEU 52 2HD1 LEU 52 -7.027 3.342 1.075 388 3HD1 LEU 52 3HD1 LEU 52 -8.664 3.922 0.727 389 1HD2 LEU 52 1HD2 LEU 52 -9.079 1.514 -0.283 390 2HD2 LEU 52 2HD2 LEU 52 -7.950 0.930 -1.525 391 3HD2 LEU 52 3HD2 LEU 52 -7.394 1.166 0.141 392 H LYS 53 HN LYS 53 -6.106 6.163 -2.953 393 HA LYS 53 HA LYS 53 -5.503 5.170 -5.620 394 1HB LYS 53 2HB LYS 53 -4.967 7.499 -4.336 395 2HB LYS 53 1HB LYS 53 -3.471 6.678 -3.989 396 1HG LYS 53 2HG LYS 53 -4.634 7.041 -6.778 397 2HG LYS 53 1HG LYS 53 -3.362 8.030 -6.045 398 1HD LYS 53 2HD LYS 53 -1.886 6.072 -5.841 399 2HD LYS 53 1HD LYS 53 -3.125 5.021 -6.562 400 1HE LYS 53 2HE LYS 53 -3.063 6.349 -8.648 401 2HE LYS 53 1HE LYS 53 -1.814 7.398 -7.948 402 1HZ LYS 53 1HZ LYS 53 -0.402 5.481 -7.764 403 2HZ LYS 53 2HZ LYS 53 -1.568 4.507 -8.405 404 3HZ LYS 53 3HZ LYS 53 -0.885 5.692 -9.326 405 H CYS 54 H CYS 54 -5.370 2.915 -5.274 406 HA CYS 54 HA CYS 54 -3.636 1.830 -3.231 407 1HB CYS 54 1HB CYS 54 -5.618 0.628 -4.090 408 2HB CYS 54 2HB CYS 54 -4.792 0.549 -5.673 409 HG CYS 54 HG CYS 54 -4.603 -1.799 -4.502 410 H VAL 55 H VAL 55 -1.489 1.116 -3.423 411 HA VAL 55 HA VAL 55 -0.164 1.215 -6.027 412 HB VAL 55 HB VAL 55 1.456 2.675 -4.075 413 1HG1 VAL 55 1HG1 VAL 55 0.300 4.770 -3.918 414 2HG1 VAL 55 2HG1 VAL 55 -1.113 4.121 -4.761 415 3HG1 VAL 55 3HG1 VAL 55 -0.674 3.518 -3.140 416 1HG2 VAL 55 1HG2 VAL 55 1.504 4.334 -5.922 417 2HG2 VAL 55 2HG2 VAL 55 1.872 2.688 -6.471 418 3HG2 VAL 55 3HG2 VAL 55 0.267 3.401 -6.778 419 H LYS 56 HN LYS 56 2.002 0.379 -5.945 420 HA LYS 56 HA LYS 56 2.601 -1.322 -3.564 421 1HB LYS 56 1HB LYS 56 2.360 -1.874 -6.479 422 2HB LYS 56 2HB LYS 56 3.685 -2.680 -5.635 423 1HG LYS 56 1HG LYS 56 2.225 -3.653 -4.004 424 2HG LYS 56 2HG LYS 56 0.831 -2.730 -4.593 425 1HD LYS 56 2HD LYS 56 2.332 -4.775 -6.293 426 2HD LYS 56 1HD LYS 56 0.962 -5.183 -5.245 427 1HE LYS 56 2HE LYS 56 -0.458 -3.506 -6.450 428 2HE LYS 56 1HE LYS 56 0.876 -3.212 -7.581 429 1HZ LYS 56 1HZ LYS 56 -0.531 -5.757 -7.159 430 2HZ LYS 56 2HZ LYS 56 0.755 -5.541 -8.173 431 3HZ LYS 56 3HZ LYS 56 -0.667 -4.761 -8.461 432 H LEU 57 H LEU 57 4.407 -0.710 -2.566 433 HA LEU 57 HA LEU 57 6.402 0.971 -4.004 434 1HB LEU 57 1HB LEU 57 5.593 1.812 -1.834 435 2HB LEU 57 2HB LEU 57 6.110 0.314 -1.066 436 HG LEU 57 HG LEU 57 8.487 1.089 -2.250 437 1HD1 LEU 57 1HD2 LEU 57 7.372 1.975 0.423 438 2HD1 LEU 57 2HD2 LEU 57 8.220 0.448 0.066 439 3HD1 LEU 57 3HD2 LEU 57 9.090 1.989 -0.028 440 1HD2 LEU 57 1HD1 LEU 57 7.111 3.660 -1.433 441 2HD2 LEU 57 2HD1 LEU 57 7.421 3.190 -3.118 442 3HD2 LEU 57 3HD1 LEU 57 8.776 3.476 -2.009 443 H ASN 58 H ASN 58 8.129 -0.008 -4.893 444 HA ASN 58 HA ASN 58 8.807 -2.765 -4.083 445 1HB ASN 58 2HB ASN 58 9.103 -2.057 -6.427 446 2HB ASN 58 1HB ASN 58 10.338 -0.900 -5.920 447 1HD2 ASN 58 2HD2 ASN 58 9.976 -3.982 -7.161 448 2HD2 ASN 58 1HD2 ASN 58 11.468 -4.685 -6.563 449 H THR 59 H THR 59 9.619 -3.060 -2.209 450 HA THR 59 HA THR 59 10.777 -1.014 -0.555 451 HB THR 59 HB THR 59 10.796 -4.037 -0.176 452 HG1 THR 59 HG1 THR 59 8.704 -3.401 -0.601 453 1HG2 THR 59 1HG2 THR 59 10.645 -1.771 1.851 454 2HG2 THR 59 2HG2 THR 59 10.697 -3.508 2.207 455 3HG2 THR 59 3HG2 THR 59 12.118 -2.713 1.508 456 H ASP 60 HN ASP 60 12.090 -3.531 -2.628 457 HA ASP 60 HA ASP 60 14.752 -3.666 -1.547 458 1HB ASP 60 1HB ASP 60 13.335 -5.278 -3.096 459 2HB ASP 60 2HB ASP 60 13.972 -4.300 -4.418 460 H GLU 61 HN GLU 61 13.109 -1.916 -4.080 461 HA GLU 61 HA GLU 61 15.374 -0.351 -5.018 462 1HB GLU 61 2HB GLU 61 13.403 -1.184 -6.383 463 2HB GLU 61 1HB GLU 61 12.384 -0.036 -5.489 464 1HG GLU 61 2HG GLU 61 13.739 1.845 -6.392 465 2HG GLU 61 1HG GLU 61 14.783 0.679 -7.209 466 H SER 62 H SER 62 12.826 -0.010 -2.609 467 HA SER 62 HA SER 62 13.595 2.831 -2.071 468 1HB SER 62 1HB SER 62 10.954 1.503 -1.432 469 2HB SER 62 2HB SER 62 11.400 3.220 -1.471 470 HG SER 62 HG SER 62 11.075 1.349 -3.573 471 HA PRO 63 HA PRO 63 14.421 0.162 1.781 472 1HB PRO 63 1HB PRO 63 17.120 0.683 2.005 473 2HB PRO 63 2HB PRO 63 16.435 -0.722 1.131 474 1HG PRO 63 1HG PRO 63 17.366 1.916 -0.016 475 2HG PRO 63 2HG PRO 63 17.699 0.268 -0.629 476 1HD PRO 63 1HD PRO 63 15.739 1.817 -1.693 477 2HD PRO 63 2HD PRO 63 15.453 0.067 -1.485 478 H ASN 64 H ASN 64 15.267 3.265 0.464 479 HA ASN 64 HA ASN 64 15.873 4.871 2.689 480 1HB ASN 64 2HB ASN 64 14.321 5.375 0.112 481 2HB ASN 64 1HB ASN 64 14.537 6.629 1.326 482 1HD2 ASN 64 1HD2 ASN 64 15.571 7.558 -0.803 483 2HD2 ASN 64 2HD2 ASN 64 17.303 7.267 -0.955 484 H VAL 65 H VAL 65 12.665 4.693 1.217 485 HA VAL 65 HA VAL 65 11.144 5.834 3.266 486 HB VAL 65 HB VAL 65 10.423 3.676 1.217 487 1HG1 VAL 65 1HG2 VAL 65 8.125 4.446 1.437 488 2HG1 VAL 65 2HG2 VAL 65 8.709 3.861 2.996 489 3HG1 VAL 65 3HG2 VAL 65 8.611 5.609 2.697 490 1HG2 VAL 65 1HG1 VAL 65 11.315 5.649 0.107 491 2HG2 VAL 65 2HG1 VAL 65 10.303 6.717 1.102 492 3HG2 VAL 65 3HG1 VAL 65 9.557 5.623 -0.084 493 H ALA 66 H ALA 66 11.833 2.473 2.532 494 HA ALA 66 HA ALA 66 10.407 1.162 4.547 495 1HB ALA 66 1HB ALA 66 13.180 0.323 3.616 496 2HB ALA 66 2HB ALA 66 11.902 -0.716 4.232 497 3HB ALA 66 3HB ALA 66 11.705 0.085 2.654 498 H SER 67 H SER 67 13.752 2.446 4.769 499 HA SER 67 HA SER 67 14.117 1.664 7.522 500 1HB SER 67 1HB SER 67 15.630 3.712 5.838 501 2HB SER 67 2HB SER 67 16.165 2.991 7.369 502 HG SER 67 HG SER 67 15.714 1.682 4.890 503 H GLU 68 HN GLU 68 13.234 4.698 5.885 504 HA GLU 68 HA GLU 68 13.288 6.456 8.103 505 1HB GLU 68 1HB GLU 68 11.508 6.375 5.635 506 2HB GLU 68 2HB GLU 68 11.494 7.712 6.785 507 1HG GLU 68 1HG GLU 68 13.694 8.381 6.280 508 2HG GLU 68 2HG GLU 68 14.121 6.838 5.545 509 H TYR 69 H TYR 69 10.581 4.416 6.885 510 HA TYR 69 HA TYR 69 8.916 5.085 9.225 511 1HB TYR 69 2HB TYR 69 8.645 3.186 6.871 512 2HB TYR 69 1HB TYR 69 7.530 3.172 8.228 513 HD1 TYR 69 HD1 TYR 69 8.455 4.912 5.161 514 HD2 TYR 69 HD2 TYR 69 6.249 5.297 8.838 515 HE1 TYR 69 HE1 TYR 69 7.329 6.918 4.268 516 HE2 TYR 69 HE2 TYR 69 5.111 7.310 7.932 517 HH TYR 69 HH TYR 69 5.822 8.616 4.700 518 H GLY 70 H GLY 70 10.995 2.387 8.186 519 1HA GLY 70 1HA GLY 70 12.050 0.768 9.419 520 2HA GLY 70 2HA GLY 70 11.432 1.477 10.907 521 H ILE 71 H ILE 71 10.017 0.128 7.985 522 HA ILE 71 HA ILE 71 7.699 -0.984 9.126 523 HB ILE 71 HB ILE 71 7.583 -2.243 6.989 524 1HG1 ILE 71 1HG1 ILE 71 10.462 -1.259 6.654 525 2HG1 ILE 71 2HG1 ILE 71 9.874 -2.934 6.680 526 1HG2 ILE 71 1HG2 ILE 71 7.361 -0.317 5.592 527 2HG2 ILE 71 2HG2 ILE 71 8.603 0.588 6.483 528 3HG2 ILE 71 3HG2 ILE 71 7.038 0.232 7.240 529 1HD1 ILE 71 1HD1 ILE 71 9.389 -0.909 4.501 530 2HD1 ILE 71 2HD1 ILE 71 8.496 -2.441 4.627 531 3HD1 ILE 71 3HD1 ILE 71 10.259 -2.450 4.408 532 H ARG 72 HN ARG 72 7.125 -3.003 9.860 533 HA ARG 72 HA ARG 72 9.281 -4.702 10.911 534 1HB ARG 72 1HB ARG 72 7.266 -4.117 12.222 535 2HB ARG 72 2HB ARG 72 6.254 -4.969 11.051 536 1HG ARG 72 1HG ARG 72 7.443 -7.100 11.605 537 2HG ARG 72 2HG ARG 72 8.480 -6.211 12.739 538 1HD ARG 72 2HD ARG 72 6.480 -5.580 14.060 539 2HD ARG 72 1HD ARG 72 5.445 -6.453 12.901 540 HE ARG 72 HE ARG 72 7.437 -8.235 13.834 541 1HH1 ARG 72 2HH2 ARG 72 4.611 -6.513 15.049 542 2HH1 ARG 72 1HH2 ARG 72 4.225 -7.696 16.269 543 1HH2 ARG 72 2HH1 ARG 72 6.957 -9.799 15.419 544 2HH2 ARG 72 1HH1 ARG 72 5.590 -9.604 16.482 545 H SER 73 H SER 73 9.990 -4.899 8.580 546 HA SER 73 HA SER 73 10.413 -6.240 6.778 547 1HB SER 73 1HB SER 73 10.145 -8.147 8.435 548 2HB SER 73 2HB SER 73 8.452 -8.294 7.915 549 HG SER 73 HG SER 73 9.862 -9.681 6.743 550 H ILE 74 H ILE 74 8.528 -7.930 5.342 551 HA ILE 74 HA ILE 74 6.322 -6.141 4.657 552 HB ILE 74 HB ILE 74 6.917 -6.444 2.190 553 1HG1 ILE 74 1HG1 ILE 74 9.735 -6.926 3.185 554 2HG1 ILE 74 2HG1 ILE 74 8.683 -8.195 2.533 555 1HG2 ILE 74 1HG2 ILE 74 7.150 -4.327 3.571 556 2HG2 ILE 74 2HG2 ILE 74 8.222 -4.422 2.179 557 3HG2 ILE 74 3HG2 ILE 74 8.862 -4.743 3.799 558 1HD1 ILE 74 1HD1 ILE 74 10.055 -7.375 0.715 559 2HD1 ILE 74 2HD1 ILE 74 8.403 -6.829 0.433 560 3HD1 ILE 74 3HD1 ILE 74 9.630 -5.704 1.056 561 HA PRO 75 HA PRO 75 4.696 -6.544 2.638 562 1HB PRO 75 2HB PRO 75 2.040 -7.163 3.012 563 2HB PRO 75 1HB PRO 75 3.072 -7.790 1.708 564 1HG PRO 75 1HG PRO 75 2.413 -9.083 4.371 565 2HG PRO 75 2HG PRO 75 2.337 -9.848 2.755 566 1HD PRO 75 2HD PRO 75 4.505 -10.229 4.367 567 2HD PRO 75 1HD PRO 75 4.732 -9.952 2.638 568 H THR 76 H THR 76 3.918 -4.710 3.281 569 HA THR 76 HA THR 76 2.812 -4.248 5.952 570 HB THR 76 HB THR 76 5.389 -2.953 4.987 571 HG1 THR 76 HG1 THR 76 6.050 -4.398 6.411 572 1HG2 THR 76 1HG2 THR 76 3.444 -2.032 7.152 573 2HG2 THR 76 2HG2 THR 76 3.965 -1.117 5.721 574 3HG2 THR 76 3HG2 THR 76 5.122 -1.479 7.008 575 H ILE 77 H ILE 77 0.947 -3.354 5.376 576 HA ILE 77 HA ILE 77 0.692 -1.767 2.883 577 HB ILE 77 HB ILE 77 -1.347 -3.052 4.734 578 1HG1 ILE 77 2HG1 ILE 77 -0.678 -3.604 1.802 579 2HG1 ILE 77 1HG1 ILE 77 -0.030 -4.542 3.150 580 1HG2 ILE 77 1HG2 ILE 77 -2.255 -0.926 3.886 581 2HG2 ILE 77 2HG2 ILE 77 -3.025 -2.251 3.030 582 3HG2 ILE 77 3HG2 ILE 77 -1.720 -1.334 2.243 583 1HD1 ILE 77 1HD1 ILE 77 -2.958 -4.361 2.356 584 2HD1 ILE 77 2HD1 ILE 77 -1.876 -5.754 2.254 585 3HD1 ILE 77 3HD1 ILE 77 -2.359 -5.134 3.844 586 H MET 78 H MET 78 0.395 0.451 3.075 587 HA MET 78 HA MET 78 -0.115 1.619 5.794 588 1HB MET 78 1HB MET 78 1.715 2.622 3.593 589 2HB MET 78 2HB MET 78 1.201 3.577 5.000 590 1HG MET 78 1HG MET 78 2.223 1.817 6.481 591 2HG MET 78 2HG MET 78 2.836 1.047 5.020 592 1HE MET 78 1HE MET 78 4.836 1.668 7.308 593 2HE MET 78 2HE MET 78 5.223 1.050 5.682 594 3HE MET 78 3HE MET 78 6.137 2.418 6.349 595 H VAL 79 H VAL 79 -1.815 2.918 5.848 596 HA VAL 79 HA VAL 79 -3.182 3.685 3.299 597 HB VAL 79 HB VAL 79 -4.194 3.548 6.164 598 1HG1 VAL 79 1HG1 VAL 79 -5.010 2.025 3.651 599 2HG1 VAL 79 2HG1 VAL 79 -5.771 1.881 5.250 600 3HG1 VAL 79 3HG1 VAL 79 -4.094 1.359 5.021 601 1HG2 VAL 79 1HG2 VAL 79 -6.380 4.294 5.238 602 2HG2 VAL 79 2HG2 VAL 79 -5.609 4.576 3.659 603 3HG2 VAL 79 3HG2 VAL 79 -5.169 5.550 5.059 604 H PHE 80 H PHE 80 -3.188 5.809 2.763 605 HA PHE 80 HA PHE 80 -2.421 7.842 4.803 606 1HB PHE 80 1HB PHE 80 -1.754 7.975 1.844 607 2HB PHE 80 2HB PHE 80 -1.422 9.189 3.051 608 HD1 PHE 80 HD1 PHE 80 0.756 9.295 3.940 609 HD2 PHE 80 HD2 PHE 80 -0.632 5.593 2.214 610 HE1 PHE 80 HE1 PHE 80 2.961 8.260 4.377 611 HE2 PHE 80 HE2 PHE 80 1.596 4.603 2.571 612 HZ PHE 80 HZ PHE 80 3.360 5.876 3.775 613 H LYS 81 HN LYS 81 -3.828 9.454 4.930 614 HA LYS 81 HA LYS 81 -6.314 9.306 3.238 615 1HB LYS 81 1HB LYS 81 -7.550 10.088 5.050 616 2HB LYS 81 2HB LYS 81 -6.483 8.859 5.714 617 1HG LYS 81 2HG LYS 81 -6.369 11.878 6.051 618 2HG LYS 81 1HG LYS 81 -6.581 10.641 7.284 619 1HD LYS 81 1HD LYS 81 -4.246 9.862 6.912 620 2HD LYS 81 2HD LYS 81 -4.023 11.152 5.700 621 1HE LYS 81 1HE LYS 81 -4.740 11.758 8.575 622 2HE LYS 81 2HE LYS 81 -3.090 11.695 7.939 623 1HZ LYS 81 1HZ LYS 81 -5.213 13.470 6.970 624 2HZ LYS 81 2HZ LYS 81 -3.707 13.354 6.316 625 3HZ LYS 81 3HZ LYS 81 -3.898 13.908 7.860 626 H GLY 82 H GLY 82 -3.740 10.649 2.588 627 1HA GLY 82 2HA GLY 82 -3.548 12.586 1.178 628 2HA GLY 82 1HA GLY 82 -4.704 13.441 2.220 629 H GLY 83 H GLY 83 -1.449 13.337 1.537 630 1HA GLY 83 2HA GLY 83 0.251 14.485 2.554 631 2HA GLY 83 1HA GLY 83 -0.809 14.880 3.900 632 H LYS 84 HN LYS 84 -1.394 12.735 5.179 633 HA LYS 84 HA LYS 84 1.172 11.301 5.806 634 1HB LYS 84 2HB LYS 84 -0.779 12.562 7.775 635 2HB LYS 84 1HB LYS 84 0.664 11.646 8.213 636 1HG LYS 84 2HG LYS 84 0.649 14.293 6.701 637 2HG LYS 84 1HG LYS 84 0.974 14.077 8.420 638 1HD LYS 84 2HD LYS 84 2.936 12.645 7.902 639 2HD LYS 84 1HD LYS 84 2.683 12.901 6.168 640 1HE LYS 84 2HE LYS 84 3.244 15.115 8.190 641 2HE LYS 84 1HE LYS 84 4.434 14.376 7.106 642 1HZ LYS 84 1HZ LYS 84 3.611 16.385 6.189 643 2HZ LYS 84 2HZ LYS 84 2.052 15.861 6.258 644 3HZ LYS 84 3HZ LYS 84 3.124 15.121 5.249 645 H LYS 85 HN LYS 85 0.786 9.584 7.461 646 HA LYS 85 HA LYS 85 -0.868 7.580 6.283 647 1HB LYS 85 2HB LYS 85 0.723 7.695 8.872 648 2HB LYS 85 1HB LYS 85 -0.171 6.270 8.316 649 1HG LYS 85 2HG LYS 85 1.130 6.192 6.235 650 2HG LYS 85 1HG LYS 85 2.033 7.633 6.731 651 1HD LYS 85 1HD LYS 85 3.338 5.635 7.152 652 2HD LYS 85 2HD LYS 85 2.942 6.435 8.686 653 1HE LYS 85 1HE LYS 85 1.195 4.744 9.133 654 2HE LYS 85 2HE LYS 85 1.462 4.029 7.530 655 1HZ LYS 85 1HZ LYS 85 3.393 4.154 9.740 656 2HZ LYS 85 2HZ LYS 85 3.703 3.529 8.249 657 3HZ LYS 85 3HZ LYS 85 2.584 2.815 9.223 658 H CYS 86 H CYS 86 -2.395 6.309 7.471 659 HA CYS 86 HA CYS 86 -4.045 7.711 9.552 660 1HB CYS 86 1HB CYS 86 -5.155 7.735 7.314 661 2HB CYS 86 2HB CYS 86 -5.031 5.977 7.237 662 HG CYS 86 HG CYS 86 -6.372 7.651 9.733 663 H GLU 87 HN GLU 87 -3.476 4.621 7.898 664 HA GLU 87 HA GLU 87 -3.229 3.143 10.466 665 1HB GLU 87 2HB GLU 87 -5.146 2.546 8.164 666 2HB GLU 87 1HB GLU 87 -4.705 1.348 9.374 667 1HG GLU 87 1HG GLU 87 -6.031 4.029 10.036 668 2HG GLU 87 2HG GLU 87 -6.882 2.545 9.789 669 H THR 88 H THR 88 -2.479 0.796 9.943 670 HA THR 88 HA THR 88 -1.248 0.348 7.426 671 HB THR 88 HB THR 88 0.487 1.825 8.330 672 HG1 THR 88 HG1 THR 88 1.101 -0.251 7.330 673 1HG2 THR 88 1HG2 THR 88 0.561 -0.015 10.771 674 2HG2 THR 88 2HG2 THR 88 -0.015 1.666 10.752 675 3HG2 THR 88 3HG2 THR 88 1.689 1.304 10.437 676 H ILE 89 H ILE 89 -0.550 -1.909 7.289 677 HA ILE 89 HA ILE 89 -1.228 -3.650 9.594 678 HB ILE 89 HB ILE 89 -2.342 -3.901 6.757 679 1HG1 ILE 89 1HG1 ILE 89 -3.680 -2.425 8.224 680 2HG1 ILE 89 2HG1 ILE 89 -4.509 -3.905 7.757 681 1HG2 ILE 89 1HG2 ILE 89 -1.678 -6.126 7.376 682 2HG2 ILE 89 2HG2 ILE 89 -2.324 -5.944 9.019 683 3HG2 ILE 89 3HG2 ILE 89 -3.418 -6.022 7.623 684 1HD1 ILE 89 1HD1 ILE 89 -4.128 -4.888 9.983 685 2HD1 ILE 89 2HD1 ILE 89 -3.234 -3.438 10.491 686 3HD1 ILE 89 3HD1 ILE 89 -4.948 -3.330 10.101 687 H ILE 90 H ILE 90 -0.089 -5.673 9.446 688 HA ILE 90 HA ILE 90 2.157 -5.730 7.503 689 HB ILE 90 HB ILE 90 2.397 -6.097 10.529 690 1HG1 ILE 90 2HG1 ILE 90 4.233 -4.193 9.903 691 2HG1 ILE 90 1HG1 ILE 90 3.043 -3.818 8.665 692 1HG2 ILE 90 1HG2 ILE 90 4.796 -6.406 10.079 693 2HG2 ILE 90 2HG2 ILE 90 4.502 -6.308 8.331 694 3HG2 ILE 90 3HG2 ILE 90 3.865 -7.661 9.295 695 1HD1 ILE 90 1HD1 ILE 90 2.720 -2.475 10.704 696 2HD1 ILE 90 2HD1 ILE 90 2.583 -3.946 11.686 697 3HD1 ILE 90 3HD1 ILE 90 1.323 -3.540 10.505 698 H GLY 91 H GLY 91 2.718 -7.781 6.874 699 1HA GLY 91 1HA GLY 91 2.793 -10.103 6.945 700 2HA GLY 91 2HA GLY 91 1.639 -10.146 8.284 701 H ALA 92 H ALA 92 1.432 -11.915 6.205 702 HA ALA 92 HA ALA 92 -0.404 -11.021 4.139 703 1HB ALA 92 1HB ALA 92 1.197 -12.824 3.709 704 2HB ALA 92 2HB ALA 92 0.537 -13.780 5.053 705 3HB ALA 92 3HB ALA 92 -0.451 -13.481 3.616 706 H VAL 93 H VAL 93 -2.631 -11.054 4.208 707 HA VAL 93 HA VAL 93 -4.016 -12.796 6.087 708 HB VAL 93 HB VAL 93 -5.498 -11.051 6.890 709 1HG1 VAL 93 1HG2 VAL 93 -3.746 -9.082 5.358 710 2HG1 VAL 93 2HG2 VAL 93 -5.470 -9.436 5.110 711 3HG1 VAL 93 3HG2 VAL 93 -4.949 -8.631 6.586 712 1HG2 VAL 93 1HG1 VAL 93 -4.057 -9.929 8.463 713 2HG2 VAL 93 2HG1 VAL 93 -2.630 -10.207 7.452 714 3HG2 VAL 93 3HG1 VAL 93 -3.465 -11.580 8.218 715 HA PRO 94 HA PRO 94 -6.299 -13.394 2.360 716 1HB PRO 94 2HB PRO 94 -8.815 -13.286 4.028 717 2HB PRO 94 1HB PRO 94 -8.366 -14.492 2.793 718 1HG PRO 94 2HG PRO 94 -8.079 -15.079 5.431 719 2HG PRO 94 1HG PRO 94 -6.771 -15.501 4.285 720 1HD PRO 94 2HD PRO 94 -6.904 -13.135 6.168 721 2HD PRO 94 1HD PRO 94 -5.552 -14.239 5.791 722 H LYS 95 HN LYS 95 -7.644 -12.410 0.812 723 HA LYS 95 HA LYS 95 -7.794 -9.698 0.533 724 1HB LYS 95 1HB LYS 95 -8.304 -11.453 -1.223 725 2HB LYS 95 2HB LYS 95 -9.862 -11.735 -0.467 726 1HG LYS 95 2HG LYS 95 -10.443 -9.297 -0.842 727 2HG LYS 95 1HG LYS 95 -8.936 -9.128 -1.751 728 1HD LYS 95 1HD LYS 95 -9.723 -10.775 -3.402 729 2HD LYS 95 2HD LYS 95 -11.170 -11.095 -2.422 730 1HE LYS 95 2HE LYS 95 -11.867 -8.709 -2.664 731 2HE LYS 95 1HE LYS 95 -10.456 -8.405 -3.687 732 1HZ LYS 95 1HZ LYS 95 -12.619 -10.310 -4.269 733 2HZ LYS 95 2HZ LYS 95 -11.340 -9.971 -5.258 734 3HZ LYS 95 3HZ LYS 95 -12.455 -8.804 -4.918 735 H ALA 96 H ALA 96 -10.379 -11.837 1.672 736 HA ALA 96 HA ALA 96 -12.402 -9.990 2.236 737 1HB ALA 96 1HB ALA 96 -13.218 -11.636 3.897 738 2HB ALA 96 2HB ALA 96 -12.690 -12.438 2.404 739 3HB ALA 96 3HB ALA 96 -11.653 -12.477 3.849 740 H THR 97 H THR 97 -9.607 -10.909 4.328 741 HA THR 97 HA THR 97 -10.442 -9.304 6.559 742 HB THR 97 HB THR 97 -7.626 -10.247 5.885 743 HG1 THR 97 HG1 THR 97 -9.788 -11.680 7.038 744 1HG2 THR 97 1HG2 THR 97 -7.462 -10.456 8.349 745 2HG2 THR 97 2HG2 THR 97 -7.840 -8.790 7.875 746 3HG2 THR 97 3HG2 THR 97 -9.117 -9.841 8.523 747 H ILE 98 H ILE 98 -8.093 -8.869 3.846 748 HA ILE 98 HA ILE 98 -7.128 -6.312 4.594 749 HB ILE 98 HB ILE 98 -7.562 -7.437 1.775 750 1HG1 ILE 98 2HG1 ILE 98 -5.120 -7.449 3.599 751 2HG1 ILE 98 1HG1 ILE 98 -6.101 -8.840 3.107 752 1HG2 ILE 98 1HG2 ILE 98 -5.803 -5.127 2.756 753 2HG2 ILE 98 2HG2 ILE 98 -7.287 -4.923 1.810 754 3HG2 ILE 98 3HG2 ILE 98 -5.903 -5.715 1.086 755 1HD1 ILE 98 1HD1 ILE 98 -4.288 -7.216 1.314 756 2HD1 ILE 98 2HD1 ILE 98 -5.477 -8.405 0.720 757 3HD1 ILE 98 3HD1 ILE 98 -4.153 -8.911 1.787 758 H VAL 99 H VAL 99 -9.795 -7.079 2.323 759 HA VAL 99 HA VAL 99 -10.698 -4.480 1.825 760 HB VAL 99 HB VAL 99 -12.149 -7.159 1.887 761 1HG1 VAL 99 1HG1 VAL 99 -13.111 -4.454 0.874 762 2HG1 VAL 99 2HG1 VAL 99 -13.854 -6.001 0.416 763 3HG1 VAL 99 3HG1 VAL 99 -13.894 -5.473 2.101 764 1HG2 VAL 99 1HG2 VAL 99 -11.897 -7.011 -0.567 765 2HG2 VAL 99 2HG2 VAL 99 -11.114 -5.426 -0.414 766 3HG2 VAL 99 3HG2 VAL 99 -10.302 -6.878 0.189 767 H GLN 100 H GLN 100 -11.993 -6.781 4.345 768 HA GLN 100 HA GLN 100 -13.848 -4.932 5.432 769 1HB GLN 100 2HB GLN 100 -12.317 -7.266 6.632 770 2HB GLN 100 1HB GLN 100 -13.503 -6.337 7.563 771 1HG GLN 100 1HG GLN 100 -15.284 -6.835 6.050 772 2HG GLN 100 2HG GLN 100 -14.203 -7.602 4.882 773 1HE2 GLN 100 1HE2 GLN 100 -12.866 -9.439 5.794 774 2HE2 GLN 100 2HE2 GLN 100 -13.707 -10.587 6.854 775 H THR 101 H THR 101 -10.434 -5.518 6.311 776 HA THR 101 HA THR 101 -10.344 -3.684 8.494 777 HB THR 101 HB THR 101 -8.097 -4.611 6.638 778 HG1 THR 101 HG1 THR 101 -9.109 -6.329 7.625 779 1HG2 THR 101 1HG2 THR 101 -7.312 -2.727 7.955 780 2HG2 THR 101 2HG2 THR 101 -8.059 -3.382 9.432 781 3HG2 THR 101 3HG2 THR 101 -6.689 -4.218 8.678 782 H VAL 102 H VAL 102 -9.696 -3.184 4.969 783 HA VAL 102 HA VAL 102 -8.954 -0.413 5.286 784 HB VAL 102 HB VAL 102 -10.055 -2.021 2.941 785 1HG1 VAL 102 1HG1 VAL 102 -7.286 -0.874 3.503 786 2HG1 VAL 102 2HG1 VAL 102 -7.758 -1.884 2.117 787 3HG1 VAL 102 3HG1 VAL 102 -7.730 -2.568 3.748 788 1HG2 VAL 102 1HG2 VAL 102 -9.323 -0.130 1.508 789 2HG2 VAL 102 2HG2 VAL 102 -10.683 0.321 2.537 790 3HG2 VAL 102 3HG2 VAL 102 -9.040 0.856 2.959 791 H GLU 103 HN GLU 103 -12.011 -1.961 4.313 792 HA GLU 103 HA GLU 103 -13.643 0.239 4.033 793 1HB GLU 103 1HB GLU 103 -14.181 -2.564 5.073 794 2HB GLU 103 2HB GLU 103 -15.480 -1.404 4.846 795 1HG GLU 103 2HG GLU 103 -13.577 -1.957 2.546 796 2HG GLU 103 1HG GLU 103 -14.868 -3.101 2.936 797 H LYS 104 HN LYS 104 -13.316 -1.625 7.072 798 HA LYS 104 HA LYS 104 -14.966 0.100 8.578 799 1HB LYS 104 1HB LYS 104 -14.101 -1.006 10.550 800 2HB LYS 104 2HB LYS 104 -14.413 -2.143 9.248 801 1HG LYS 104 2HG LYS 104 -12.413 -2.977 9.943 802 2HG LYS 104 1HG LYS 104 -11.857 -1.814 8.750 803 1HD LYS 104 2HD LYS 104 -10.438 -1.534 10.600 804 2HD LYS 104 1HD LYS 104 -11.532 -0.147 10.665 805 1HE LYS 104 2HE LYS 104 -12.888 -1.296 12.413 806 2HE LYS 104 1HE LYS 104 -11.814 -2.704 12.312 807 1HZ LYS 104 1HZ LYS 104 -11.021 0.007 13.108 808 2HZ LYS 104 2HZ LYS 104 -10.021 -1.301 13.023 809 3HZ LYS 104 3HZ LYS 104 -11.250 -1.273 14.120 810 H TYR 105 H TYR 105 -11.720 0.878 7.479 811 HA TYR 105 HA TYR 105 -11.325 2.863 9.641 812 1HB TYR 105 2HB TYR 105 -9.832 2.585 7.008 813 2HB TYR 105 1HB TYR 105 -9.358 3.506 8.411 814 HD1 TYR 105 HD1 TYR 105 -9.810 1.521 10.634 815 HD2 TYR 105 HD2 TYR 105 -7.942 1.204 6.759 816 HE1 TYR 105 HE1 TYR 105 -8.138 -0.025 11.566 817 HE2 TYR 105 HE2 TYR 105 -6.262 -0.347 7.706 818 HH TYR 105 HH TYR 105 -5.776 -0.430 11.092 819 H LEU 106 H LEU 106 -12.919 2.633 6.555 820 HA LEU 106 HA LEU 106 -13.003 5.575 6.164 821 1HB LEU 106 2HB LEU 106 -13.879 3.297 4.350 822 2HB LEU 106 1HB LEU 106 -13.785 5.008 3.924 823 HG LEU 106 HG LEU 106 -11.407 3.215 4.629 824 1HD1 LEU 106 1HD2 LEU 106 -10.042 5.112 3.755 825 2HD1 LEU 106 2HD2 LEU 106 -11.510 6.106 3.654 826 3HD1 LEU 106 3HD2 LEU 106 -10.911 5.544 5.232 827 1HD2 LEU 106 1HD1 LEU 106 -10.868 3.369 2.242 828 2HD2 LEU 106 2HD1 LEU 106 -12.464 2.636 2.482 829 3HD2 LEU 106 3HD1 LEU 106 -12.336 4.328 1.953 830 H ASN 107 H ASN 107 -15.108 2.708 6.535 831 HA ASN 107 HA ASN 107 -17.310 4.306 7.559 832 1HB ASN 107 2HB ASN 107 -18.865 3.348 5.758 833 2HB ASN 107 1HB ASN 107 -17.852 4.720 5.312 834 1HD2 ASN 107 2HD2 ASN 107 -16.784 1.271 5.448 835 2HD2 ASN 107 1HD2 ASN 107 -16.470 1.152 3.705 Start of MODEL 17 1 1H MET 1 1H MET 1 -3.047 -5.428 -13.758 2 2H MET 1 2H MET 1 -4.343 -4.417 -13.758 3 3H MET 1 3H MET 1 -3.591 -4.790 -12.350 4 HA MET 1 HA MET 1 -1.673 -3.542 -12.928 5 1HB MET 1 1HB MET 1 -1.499 -2.502 -15.184 6 2HB MET 1 2HB MET 1 -1.440 -4.260 -15.214 7 1HG MET 1 1HG MET 1 -4.024 -2.740 -15.778 8 2HG MET 1 2HG MET 1 -2.828 -3.106 -17.020 9 1HE MET 1 1HE MET 1 -6.099 -5.457 -17.383 10 2HE MET 1 2HE MET 1 -6.115 -3.957 -16.428 11 3HE MET 1 3HE MET 1 -5.321 -3.990 -18.023 12 H GLU 2 HN GLU 2 -3.567 -2.789 -11.260 13 HA GLU 2 HA GLU 2 -4.420 -0.062 -12.130 14 1HB GLU 2 2HB GLU 2 -6.006 -1.982 -10.381 15 2HB GLU 2 1HB GLU 2 -6.432 -0.323 -10.825 16 1HG GLU 2 1HG GLU 2 -7.664 -1.505 -12.420 17 2HG GLU 2 2HG GLU 2 -6.183 -1.205 -13.318 18 H ALA 3 H ALA 3 -3.507 -2.152 -9.369 19 HA ALA 3 HA ALA 3 -3.097 0.068 -7.543 20 1HB ALA 3 1HB ALA 3 -1.872 -2.709 -7.690 21 2HB ALA 3 2HB ALA 3 -3.231 -2.203 -6.670 22 3HB ALA 3 3HB ALA 3 -1.623 -1.552 -6.350 23 H GLY 4 H GLY 4 -1.468 1.627 -7.730 24 1HA GLY 4 1HA GLY 4 0.403 1.444 -9.923 25 2HA GLY 4 2HA GLY 4 0.352 2.694 -8.675 26 H ALA 5 H ALA 5 2.759 1.844 -9.590 27 HA ALA 5 HA ALA 5 3.934 0.271 -7.340 28 1HB ALA 5 1HB ALA 5 5.795 -0.208 -8.862 29 2HB ALA 5 2HB ALA 5 4.942 0.609 -10.190 30 3HB ALA 5 3HB ALA 5 4.268 -0.877 -9.476 31 H VAL 6 H VAL 6 5.031 1.628 -6.007 32 HA VAL 6 HA VAL 6 5.883 4.313 -7.030 33 HB VAL 6 HB VAL 6 5.745 4.903 -4.496 34 1HG1 VAL 6 1HG1 VAL 6 4.025 3.822 -3.206 35 2HG1 VAL 6 2HG1 VAL 6 3.613 2.726 -4.536 36 3HG1 VAL 6 3HG1 VAL 6 5.183 2.591 -3.728 37 1HG2 VAL 6 1HG2 VAL 6 4.415 6.021 -6.142 38 2HG2 VAL 6 2HG2 VAL 6 3.291 4.647 -6.246 39 3HG2 VAL 6 3HG2 VAL 6 3.394 5.612 -4.754 40 H ASN 7 H ASN 7 7.703 5.217 -5.938 41 HA ASN 7 HA ASN 7 9.592 3.365 -4.680 42 1HB ASN 7 2HB ASN 7 10.269 3.271 -6.996 43 2HB ASN 7 1HB ASN 7 10.131 5.034 -7.185 44 1HD2 ASN 7 2HD2 ASN 7 11.788 2.699 -4.953 45 2HD2 ASN 7 1HD2 ASN 7 13.377 3.392 -5.127 46 H ASP 8 HN ASP 8 11.451 4.809 -3.915 47 HA ASP 8 HA ASP 8 10.661 6.531 -1.929 48 1HB ASP 8 2HB ASP 8 13.198 6.791 -3.620 49 2HB ASP 8 1HB ASP 8 12.943 7.574 -2.059 50 H ASP 9 HN ASP 9 11.451 7.498 -5.236 51 HA ASP 9 HA ASP 9 10.969 10.311 -4.880 52 1HB ASP 9 2HB ASP 9 12.289 9.496 -6.744 53 2HB ASP 9 1HB ASP 9 10.957 8.533 -7.370 54 H THR 10 H THR 10 8.990 8.177 -6.964 55 HA THR 10 HA THR 10 6.783 9.816 -7.202 56 HB THR 10 HB THR 10 5.571 7.588 -7.687 57 HG1 THR 10 HG1 THR 10 7.171 5.870 -7.941 58 1HG2 THR 10 1HG2 THR 10 6.875 7.232 -9.754 59 2HG2 THR 10 2HG2 THR 10 6.679 8.960 -9.425 60 3HG2 THR 10 3HG2 THR 10 8.228 8.167 -9.086 61 H PHE 11 H PHE 11 7.371 7.512 -4.572 62 HA PHE 11 HA PHE 11 5.033 7.351 -3.157 63 1HB PHE 11 1HB PHE 11 7.233 6.466 -2.500 64 2HB PHE 11 2HB PHE 11 7.811 8.062 -2.143 65 HD1 PHE 11 HD1 PHE 11 5.535 5.350 -1.028 66 HD2 PHE 11 HD2 PHE 11 7.308 9.149 -0.018 67 HE1 PHE 11 HE1 PHE 11 5.002 4.966 1.360 68 HE2 PHE 11 HE2 PHE 11 6.707 8.789 2.359 69 HZ PHE 11 HZ PHE 11 5.552 6.694 3.050 70 H LYS 12 HN LYS 12 7.276 10.040 -3.208 71 HA LYS 12 HA LYS 12 6.136 11.829 -1.352 72 1HB LYS 12 1HB LYS 12 7.426 12.403 -4.054 73 2HB LYS 12 2HB LYS 12 7.007 13.614 -2.869 74 1HG LYS 12 1HG LYS 12 8.553 12.583 -1.212 75 2HG LYS 12 2HG LYS 12 8.839 11.213 -2.297 76 1HD LYS 12 2HD LYS 12 9.807 12.738 -4.001 77 2HD LYS 12 1HD LYS 12 9.638 14.096 -2.867 78 1HE LYS 12 2HE LYS 12 11.125 12.923 -1.252 79 2HE LYS 12 1HE LYS 12 11.243 11.538 -2.356 80 1HZ LYS 12 1HZ LYS 12 13.123 12.976 -2.545 81 2HZ LYS 12 2HZ LYS 12 12.273 12.969 -3.958 82 3HZ LYS 12 3HZ LYS 12 12.169 14.262 -2.939 83 H ASN 13 H ASN 13 5.378 11.651 -4.873 84 HA ASN 13 HA ASN 13 3.335 13.729 -4.638 85 1HB ASN 13 1HB ASN 13 4.204 11.885 -6.896 86 2HB ASN 13 2HB ASN 13 3.045 13.193 -7.067 87 1HD2 ASN 13 2HD2 ASN 13 4.009 15.434 -5.886 88 2HD2 ASN 13 1HD2 ASN 13 5.599 15.794 -6.532 89 H VAL 14 H VAL 14 3.546 10.274 -4.815 90 HA VAL 14 HA VAL 14 0.668 9.944 -5.515 91 HB VAL 14 HB VAL 14 2.989 7.989 -5.249 92 1HG1 VAL 14 1HG1 VAL 14 1.605 9.162 -7.707 93 2HG1 VAL 14 2HG1 VAL 14 3.233 9.591 -7.154 94 3HG1 VAL 14 3HG1 VAL 14 2.905 7.955 -7.727 95 1HG2 VAL 14 1HG2 VAL 14 1.530 6.439 -6.574 96 2HG2 VAL 14 2HG2 VAL 14 0.169 7.543 -6.303 97 3HG2 VAL 14 3HG2 VAL 14 0.946 6.715 -4.929 98 H VAL 15 H VAL 15 2.656 9.598 -2.650 99 HA VAL 15 HA VAL 15 0.413 8.238 -1.211 100 HB VAL 15 HB VAL 15 3.404 8.142 -0.626 101 1HG1 VAL 15 1HG1 VAL 15 2.031 7.884 1.357 102 2HG1 VAL 15 2HG1 VAL 15 1.114 6.580 0.571 103 3HG1 VAL 15 3HG1 VAL 15 2.842 6.397 0.936 104 1HG2 VAL 15 1HG2 VAL 15 1.636 6.043 -1.940 105 2HG2 VAL 15 2HG2 VAL 15 2.857 7.003 -2.784 106 3HG2 VAL 15 3HG2 VAL 15 3.361 5.885 -1.539 107 H LEU 16 H LEU 16 3.150 10.543 -0.748 108 HA LEU 16 HA LEU 16 2.000 11.443 1.789 109 1HB LEU 16 2HB LEU 16 4.236 12.521 0.034 110 2HB LEU 16 1HB LEU 16 3.733 13.271 1.520 111 HG LEU 16 HG LEU 16 4.834 10.434 1.143 112 1HD1 LEU 16 1HD1 LEU 16 6.811 11.297 2.336 113 2HD1 LEU 16 2HD1 LEU 16 6.046 12.896 2.467 114 3HD1 LEU 16 3HD1 LEU 16 6.498 12.251 0.877 115 1HD2 LEU 16 1HD2 LEU 16 4.007 11.857 3.715 116 2HD2 LEU 16 2HD2 LEU 16 5.015 10.399 3.663 117 3HD2 LEU 16 3HD2 LEU 16 3.357 10.324 3.079 118 H GLU 17 HN GLU 17 2.552 13.186 -1.261 119 HA GLU 17 HA GLU 17 0.753 15.317 -0.561 120 1HB GLU 17 2HB GLU 17 2.866 15.227 -2.080 121 2HB GLU 17 1HB GLU 17 1.769 14.595 -3.318 122 1HG GLU 17 1HG GLU 17 0.497 16.742 -3.240 123 2HG GLU 17 2HG GLU 17 1.571 17.311 -1.953 124 H SER 18 H SER 18 -0.664 12.707 -0.567 125 HA SER 18 HA SER 18 -2.412 12.764 -2.927 126 1HB SER 18 1HB SER 18 -2.562 10.867 -0.566 127 2HB SER 18 2HB SER 18 -3.099 10.628 -2.248 128 HG SER 18 HG SER 18 -1.154 9.734 -2.394 129 H SER 19 H SER 19 -4.447 13.573 -2.945 130 HA SER 19 HA SER 19 -5.567 15.023 -0.689 131 1HB SER 19 1HB SER 19 -7.424 15.222 -2.519 132 2HB SER 19 2HB SER 19 -5.850 15.979 -2.848 133 HG SER 19 HG SER 19 -6.552 14.669 -4.617 134 H VAL 20 H VAL 20 -6.432 12.277 -2.773 135 HA VAL 20 HA VAL 20 -8.372 11.165 -0.846 136 HB VAL 20 HB VAL 20 -8.142 9.119 -2.396 137 1HG1 VAL 20 1HG1 VAL 20 -7.266 9.404 -4.617 138 2HG1 VAL 20 2HG1 VAL 20 -6.839 11.091 -4.319 139 3HG1 VAL 20 3HG1 VAL 20 -5.976 9.784 -3.472 140 1HG2 VAL 20 1HG2 VAL 20 -9.619 10.034 -4.124 141 2HG2 VAL 20 2HG2 VAL 20 -10.095 10.536 -2.498 142 3HG2 VAL 20 3HG2 VAL 20 -9.252 11.682 -3.574 143 HA PRO 21 HA PRO 21 -5.128 9.083 1.327 144 1HB PRO 21 1HB PRO 21 -6.287 6.830 2.374 145 2HB PRO 21 2HB PRO 21 -6.735 8.463 2.920 146 1HG PRO 21 1HG PRO 21 -8.129 6.737 0.859 147 2HG PRO 21 2HG PRO 21 -8.859 7.605 2.234 148 1HD PRO 21 1HD PRO 21 -8.836 8.590 -0.349 149 2HD PRO 21 2HD PRO 21 -8.736 9.684 1.056 150 H VAL 22 H VAL 22 -3.893 7.005 1.321 151 HA VAL 22 HA VAL 22 -4.385 5.195 -0.879 152 HB VAL 22 HB VAL 22 -2.823 7.515 -1.383 153 1HG1 VAL 22 1HG1 VAL 22 -0.861 6.460 -0.538 154 2HG1 VAL 22 2HG1 VAL 22 -0.787 6.501 -2.311 155 3HG1 VAL 22 3HG1 VAL 22 -1.145 4.987 -1.470 156 1HG2 VAL 22 1HG2 VAL 22 -3.479 4.976 -2.931 157 2HG2 VAL 22 2HG2 VAL 22 -4.463 6.445 -2.845 158 3HG2 VAL 22 3HG2 VAL 22 -2.905 6.501 -3.656 159 H LEU 23 H LEU 23 -3.639 3.169 -0.690 160 HA LEU 23 HA LEU 23 -2.242 2.510 1.799 161 1HB LEU 23 2HB LEU 23 -4.430 1.575 1.168 162 2HB LEU 23 1HB LEU 23 -3.676 0.769 -0.216 163 HG LEU 23 HG LEU 23 -2.717 0.217 2.574 164 1HD1 LEU 23 1HD2 LEU 23 -2.288 -2.061 1.404 165 2HD1 LEU 23 2HD2 LEU 23 -1.280 -0.733 0.835 166 3HD1 LEU 23 3HD2 LEU 23 -2.679 -1.265 -0.118 167 1HD2 LEU 23 1HD1 LEU 23 -5.035 -1.094 1.085 168 2HD2 LEU 23 2HD1 LEU 23 -4.322 -1.697 2.593 169 3HD2 LEU 23 3HD1 LEU 23 -5.151 -0.136 2.578 170 H VAL 24 H VAL 24 -0.112 2.208 1.656 171 HA VAL 24 HA VAL 24 1.106 1.337 -0.913 172 HB VAL 24 HB VAL 24 2.328 2.598 1.586 173 1HG1 VAL 24 1HG1 VAL 24 3.579 1.769 -1.068 174 2HG1 VAL 24 2HG1 VAL 24 3.929 1.036 0.512 175 3HG1 VAL 24 3HG1 VAL 24 4.394 2.711 0.205 176 1HG2 VAL 24 1HG2 VAL 24 1.843 3.648 -1.239 177 2HG2 VAL 24 2HG2 VAL 24 1.053 4.219 0.252 178 3HG2 VAL 24 3HG2 VAL 24 2.800 4.441 0.028 179 H ASP 25 HN ASP 25 1.275 -0.832 -0.989 180 HA ASP 25 HA ASP 25 1.761 -2.385 1.514 181 1HB ASP 25 2HB ASP 25 0.252 -3.443 -0.050 182 2HB ASP 25 1HB ASP 25 1.411 -3.214 -1.363 183 H PHE 26 H PHE 26 3.883 -2.415 2.224 184 HA PHE 26 HA PHE 26 6.050 -1.672 0.357 185 1HB PHE 26 2HB PHE 26 5.992 -2.484 3.276 186 2HB PHE 26 1HB PHE 26 7.469 -2.265 2.357 187 HD1 PHE 26 HD1 PHE 26 8.530 -0.190 2.414 188 HD2 PHE 26 HD2 PHE 26 4.263 -0.333 3.087 189 HE1 PHE 26 HE1 PHE 26 8.507 2.233 2.898 190 HE2 PHE 26 HE2 PHE 26 4.263 2.070 3.590 191 HZ PHE 26 HZ PHE 26 6.392 3.367 3.540 192 H TRP 27 H TRP 27 6.654 -3.219 -1.078 193 HA TRP 27 HA TRP 27 6.364 -6.100 -0.326 194 1HB TRP 27 1HB TRP 27 5.437 -6.580 -2.474 195 2HB TRP 27 2HB TRP 27 4.578 -5.175 -1.896 196 HD1 TRP 27 HD1 TRP 27 5.580 -2.807 -2.939 197 HE1 TRP 27 HE1 TRP 27 6.552 -2.257 -5.294 198 HE3 TRP 27 HE3 TRP 27 6.467 -7.555 -4.569 199 HZ2 TRP 27 HZ2 TRP 27 7.595 -3.710 -7.515 200 HZ3 TRP 27 HZ3 TRP 27 7.501 -7.941 -6.781 201 HH2 TRP 27 HH2 TRP 27 8.051 -6.037 -8.270 202 H ALA 28 H ALA 28 7.364 -7.356 -2.381 203 HA ALA 28 HA ALA 28 9.624 -6.275 -3.670 204 1HB ALA 28 1HB ALA 28 10.716 -6.464 -1.406 205 2HB ALA 28 2HB ALA 28 11.403 -7.612 -2.553 206 3HB ALA 28 3HB ALA 28 10.242 -8.179 -1.349 207 HA PRO 29 HA PRO 29 8.468 -9.895 -6.020 208 1HB PRO 29 1HB PRO 29 10.810 -10.677 -7.246 209 2HB PRO 29 2HB PRO 29 9.846 -9.257 -7.745 210 1HG PRO 29 1HG PRO 29 12.306 -9.305 -5.983 211 2HG PRO 29 2HG PRO 29 11.935 -8.188 -7.324 212 1HD PRO 29 1HD PRO 29 11.506 -7.473 -4.738 213 2HD PRO 29 2HD PRO 29 10.353 -6.999 -5.996 214 H TRP 30 H TRP 30 11.496 -10.194 -4.150 215 HA TRP 30 HA TRP 30 11.333 -13.039 -3.790 216 1HB TRP 30 1HB TRP 30 13.006 -12.571 -1.978 217 2HB TRP 30 2HB TRP 30 13.434 -12.004 -3.583 218 HD1 TRP 30 HD1 TRP 30 14.127 -9.559 -3.844 219 HE1 TRP 30 HE1 TRP 30 14.415 -7.549 -2.266 220 HE3 TRP 30 HE3 TRP 30 11.694 -11.408 0.275 221 HZ2 TRP 30 HZ2 TRP 30 13.464 -6.756 0.338 222 HZ3 TRP 30 HZ3 TRP 30 11.298 -9.959 2.234 223 HH2 TRP 30 HH2 TRP 30 12.015 -7.594 2.211 224 H CYS 31 H CYS 31 9.412 -10.480 -2.420 225 HA CYS 31 HA CYS 31 9.084 -11.855 0.185 226 1HB CYS 31 2HB CYS 31 9.032 -9.497 0.250 227 2HB CYS 31 1HB CYS 31 7.770 -9.405 -0.988 228 H GLY 32 H GLY 32 8.398 -13.893 -0.644 229 1HA GLY 32 1HA GLY 32 6.309 -14.701 -2.147 230 2HA GLY 32 2HA GLY 32 6.625 -15.424 -0.564 231 HA PRO 33 HA PRO 33 2.793 -13.984 1.027 232 1HB PRO 33 2HB PRO 33 3.216 -12.255 3.164 233 2HB PRO 33 1HB PRO 33 3.341 -14.028 3.212 234 1HG PRO 33 2HG PRO 33 5.613 -12.052 2.869 235 2HG PRO 33 1HG PRO 33 5.508 -13.467 3.942 236 1HD PRO 33 2HD PRO 33 6.797 -13.567 1.567 237 2HD PRO 33 1HD PRO 33 5.782 -14.926 2.118 238 H CYS 34 H CYS 34 4.947 -11.445 -0.118 239 HA CYS 34 HA CYS 34 2.781 -9.422 -0.187 240 1HB CYS 34 2HB CYS 34 5.480 -9.288 -1.572 241 2HB CYS 34 1HB CYS 34 4.312 -8.016 -1.234 242 H ARG 35 HN ARG 35 4.800 -11.387 -2.344 243 HA ARG 35 HA ARG 35 3.800 -10.703 -4.822 244 1HB ARG 35 2HB ARG 35 5.773 -12.256 -4.077 245 2HB ARG 35 1HB ARG 35 4.591 -13.550 -4.052 246 1HG ARG 35 1HG ARG 35 5.794 -13.586 -6.130 247 2HG ARG 35 2HG ARG 35 4.110 -13.153 -6.476 248 1HD ARG 35 2HD ARG 35 4.699 -10.839 -6.824 249 2HD ARG 35 1HD ARG 35 6.324 -11.087 -6.128 250 HE ARG 35 HE ARG 35 6.132 -12.822 -8.303 251 1HH1 ARG 35 2HH2 ARG 35 5.977 -9.338 -7.769 252 2HH1 ARG 35 1HH2 ARG 35 6.633 -8.916 -9.327 253 1HH2 ARG 35 1HH1 ARG 35 7.007 -12.299 -10.341 254 2HH2 ARG 35 2HH1 ARG 35 7.233 -10.639 -10.819 255 H ILE 36 H ILE 36 2.664 -13.301 -2.657 256 HA ILE 36 HA ILE 36 0.515 -14.074 -4.444 257 HB ILE 36 HB ILE 36 -0.290 -15.472 -2.611 258 1HG1 ILE 36 2HG1 ILE 36 1.483 -15.471 -0.575 259 2HG1 ILE 36 1HG1 ILE 36 1.512 -13.745 -0.934 260 1HG2 ILE 36 1HG2 ILE 36 1.595 -16.159 -4.074 261 2HG2 ILE 36 2HG2 ILE 36 1.675 -16.886 -2.463 262 3HG2 ILE 36 3HG2 ILE 36 2.748 -15.539 -2.878 263 1HD1 ILE 36 1HD1 ILE 36 -0.158 -14.246 0.780 264 2HD1 ILE 36 2HD1 ILE 36 -1.025 -13.756 -0.689 265 3HD1 ILE 36 3HD1 ILE 36 -0.917 -15.471 -0.254 266 H ILE 37 H ILE 37 0.715 -11.351 -2.262 267 HA ILE 37 HA ILE 37 -2.226 -11.019 -2.192 268 HB ILE 37 HB ILE 37 0.125 -9.524 -0.951 269 1HG1 ILE 37 1HG1 ILE 37 -0.476 -11.646 0.138 270 2HG1 ILE 37 2HG1 ILE 37 -0.809 -10.249 1.156 271 1HG2 ILE 37 1HG2 ILE 37 -2.818 -8.769 -0.975 272 2HG2 ILE 37 2HG2 ILE 37 -1.400 -7.798 -1.430 273 3HG2 ILE 37 3HG2 ILE 37 -1.670 -8.209 0.262 274 1HD1 ILE 37 1HD1 ILE 37 -3.249 -10.454 0.510 275 2HD1 ILE 37 2HD1 ILE 37 -2.841 -11.956 -0.353 276 3HD1 ILE 37 3HD1 ILE 37 -2.596 -11.844 1.386 277 H ALA 38 H ALA 38 0.621 -9.748 -3.854 278 HA ALA 38 HA ALA 38 -0.039 -7.562 -5.111 279 1HB ALA 38 1HB ALA 38 1.214 -8.177 -7.018 280 2HB ALA 38 2HB ALA 38 1.951 -8.933 -5.595 281 3HB ALA 38 3HB ALA 38 0.991 -9.902 -6.733 282 HA PRO 39 HA PRO 39 -3.039 -9.409 -8.400 283 1HB PRO 39 1HB PRO 39 -4.214 -11.833 -7.118 284 2HB PRO 39 2HB PRO 39 -3.654 -11.620 -8.797 285 1HG PRO 39 1HG PRO 39 -2.237 -13.132 -7.004 286 2HG PRO 39 2HG PRO 39 -1.396 -12.067 -8.175 287 1HD PRO 39 1HD PRO 39 -2.142 -11.426 -5.304 288 2HD PRO 39 2HD PRO 39 -0.543 -11.312 -6.072 289 H VAL 40 H VAL 40 -3.646 -9.991 -4.963 290 HA VAL 40 HA VAL 40 -6.488 -9.457 -5.027 291 HB VAL 40 HB VAL 40 -4.599 -9.571 -2.626 292 1HG1 VAL 40 1HG1 VAL 40 -6.651 -10.211 -1.438 293 2HG1 VAL 40 2HG1 VAL 40 -6.809 -8.605 -2.177 294 3HG1 VAL 40 3HG1 VAL 40 -7.581 -10.012 -2.946 295 1HG2 VAL 40 1HG2 VAL 40 -4.352 -11.685 -3.869 296 2HG2 VAL 40 2HG2 VAL 40 -6.117 -11.820 -4.019 297 3HG2 VAL 40 3HG2 VAL 40 -5.336 -11.945 -2.429 298 H VAL 41 H VAL 41 -3.629 -7.746 -3.717 299 HA VAL 41 HA VAL 41 -4.947 -5.182 -3.155 300 HB VAL 41 HB VAL 41 -2.571 -6.316 -2.609 301 1HG1 VAL 41 1HG2 VAL 41 -3.538 -3.949 -1.718 302 2HG1 VAL 41 2HG2 VAL 41 -1.786 -4.224 -1.680 303 3HG1 VAL 41 3HG2 VAL 41 -2.483 -3.291 -2.988 304 1HG2 VAL 41 1HG1 VAL 41 -1.775 -6.467 -4.659 305 2HG2 VAL 41 2HG1 VAL 41 -0.708 -5.512 -3.644 306 3HG2 VAL 41 3HG1 VAL 41 -1.692 -4.713 -4.902 307 H ASP 42 HN ASP 42 -3.380 -6.435 -6.126 308 HA ASP 42 HA ASP 42 -3.867 -4.061 -7.585 309 1HB ASP 42 2HB ASP 42 -2.488 -5.991 -8.376 310 2HB ASP 42 1HB ASP 42 -3.960 -6.877 -8.752 311 H GLU 43 HN GLU 43 -5.903 -7.024 -7.611 312 HA GLU 43 HA GLU 43 -7.923 -5.852 -9.207 313 1HB GLU 43 1HB GLU 43 -9.147 -7.715 -8.894 314 2HB GLU 43 2HB GLU 43 -7.550 -8.338 -8.505 315 1HG GLU 43 2HG GLU 43 -8.209 -7.903 -6.019 316 2HG GLU 43 1HG GLU 43 -9.850 -7.652 -6.625 317 H ILE 44 H ILE 44 -7.603 -5.858 -5.608 318 HA ILE 44 HA ILE 44 -10.018 -4.490 -5.056 319 HB ILE 44 HB ILE 44 -7.307 -4.509 -3.666 320 1HG1 ILE 44 2HG1 ILE 44 -10.019 -5.758 -3.000 321 2HG1 ILE 44 1HG1 ILE 44 -8.688 -6.632 -3.725 322 1HG2 ILE 44 1HG2 ILE 44 -8.454 -2.372 -3.127 323 2HG2 ILE 44 2HG2 ILE 44 -8.416 -3.433 -1.736 324 3HG2 ILE 44 3HG2 ILE 44 -9.917 -3.278 -2.679 325 1HD1 ILE 44 1HD1 ILE 44 -7.268 -6.045 -1.712 326 2HD1 ILE 44 2HD1 ILE 44 -8.629 -7.129 -1.381 327 3HD1 ILE 44 3HD1 ILE 44 -8.754 -5.435 -0.933 328 H ALA 45 H ALA 45 -6.772 -3.211 -6.046 329 HA ALA 45 HA ALA 45 -7.544 -0.470 -5.985 330 1HB ALA 45 1HB ALA 45 -5.749 -0.048 -7.464 331 2HB ALA 45 2HB ALA 45 -5.790 -1.666 -8.158 332 3HB ALA 45 3HB ALA 45 -5.241 -1.459 -6.501 333 H GLY 46 H GLY 46 -7.742 -2.898 -8.658 334 1HA GLY 46 1HA GLY 46 -8.999 -1.415 -10.630 335 2HA GLY 46 2HA GLY 46 -9.311 -3.136 -10.333 336 H GLU 47 HN GLU 47 -10.606 -3.038 -7.868 337 HA GLU 47 HA GLU 47 -13.258 -2.385 -8.582 338 1HB GLU 47 2HB GLU 47 -11.951 -2.890 -5.882 339 2HB GLU 47 1HB GLU 47 -13.681 -2.704 -6.103 340 1HG GLU 47 1HG GLU 47 -13.749 -4.622 -7.634 341 2HG GLU 47 2HG GLU 47 -11.997 -4.778 -7.608 342 H TYR 48 H TYR 48 -10.985 -0.420 -6.667 343 HA TYR 48 HA TYR 48 -13.073 1.788 -6.619 344 1HB TYR 48 2HB TYR 48 -10.878 1.316 -4.605 345 2HB TYR 48 1HB TYR 48 -12.183 2.514 -4.543 346 HD1 TYR 48 HD1 TYR 48 -11.410 -1.074 -4.265 347 HD2 TYR 48 HD2 TYR 48 -14.143 2.107 -3.345 348 HE1 TYR 48 HE1 TYR 48 -12.513 -2.531 -2.569 349 HE2 TYR 48 HE2 TYR 48 -15.146 0.713 -1.553 350 HH TYR 48 HH TYR 48 -15.033 -1.277 -0.391 351 H LYS 49 HN LYS 49 -10.299 1.178 -8.215 352 HA LYS 49 HA LYS 49 -8.363 2.930 -7.903 353 1HB LYS 49 1HB LYS 49 -8.135 3.055 -10.397 354 2HB LYS 49 2HB LYS 49 -8.309 1.424 -9.744 355 1HG LYS 49 2HG LYS 49 -10.706 1.412 -10.426 356 2HG LYS 49 1HG LYS 49 -10.519 3.037 -11.106 357 1HD LYS 49 2HD LYS 49 -8.817 2.264 -12.668 358 2HD LYS 49 1HD LYS 49 -8.912 0.619 -12.019 359 1HE LYS 49 1HE LYS 49 -11.287 2.108 -13.240 360 2HE LYS 49 2HE LYS 49 -10.231 1.022 -14.159 361 1HZ LYS 49 1HZ LYS 49 -11.756 0.198 -11.784 362 2HZ LYS 49 2HZ LYS 49 -10.855 -0.760 -12.759 363 3HZ LYS 49 3HZ LYS 49 -12.222 -0.052 -13.347 364 H ASP 50 HN ASP 50 -11.414 3.884 -9.363 365 HA ASP 50 HA ASP 50 -11.080 6.403 -10.294 366 1HB ASP 50 1HB ASP 50 -13.305 5.346 -8.485 367 2HB ASP 50 2HB ASP 50 -13.415 6.801 -9.473 368 H LYS 51 HN LYS 51 -11.320 5.522 -6.878 369 HA LYS 51 HA LYS 51 -10.638 8.330 -6.049 370 1HB LYS 51 2HB LYS 51 -12.779 6.373 -5.175 371 2HB LYS 51 1HB LYS 51 -12.170 7.571 -4.048 372 1HG LYS 51 2HG LYS 51 -12.777 9.381 -5.681 373 2HG LYS 51 1HG LYS 51 -13.402 8.171 -6.798 374 1HD LYS 51 1HD LYS 51 -14.447 8.791 -3.988 375 2HD LYS 51 2HD LYS 51 -15.212 9.258 -5.508 376 1HE LYS 51 2HE LYS 51 -14.892 6.414 -4.430 377 2HE LYS 51 1HE LYS 51 -16.381 7.346 -4.571 378 1HZ LYS 51 1HZ LYS 51 -16.098 7.342 -6.947 379 2HZ LYS 51 2HZ LYS 51 -16.165 5.806 -6.353 380 3HZ LYS 51 3HZ LYS 51 -14.720 6.447 -6.814 381 H LEU 52 H LEU 52 -10.842 4.975 -4.935 382 HA LEU 52 HA LEU 52 -9.519 5.788 -2.484 383 1HB LEU 52 1HB LEU 52 -11.635 4.375 -2.727 384 2HB LEU 52 2HB LEU 52 -10.546 3.051 -3.238 385 HG LEU 52 HG LEU 52 -9.631 2.952 -1.072 386 1HD1 LEU 52 1HD1 LEU 52 -10.497 4.436 0.798 387 2HD1 LEU 52 2HD1 LEU 52 -9.526 5.316 -0.368 388 3HD1 LEU 52 3HD1 LEU 52 -11.286 5.442 -0.444 389 1HD2 LEU 52 1HD2 LEU 52 -12.647 3.172 -0.987 390 2HD2 LEU 52 2HD2 LEU 52 -11.673 1.748 -1.406 391 3HD2 LEU 52 3HD2 LEU 52 -11.648 2.380 0.246 392 H LYS 53 HN LYS 53 -7.927 4.650 -1.471 393 HA LYS 53 HA LYS 53 -5.667 4.656 -2.326 394 1HB LYS 53 1HB LYS 53 -5.372 3.589 0.153 395 2HB LYS 53 2HB LYS 53 -6.445 4.949 -0.029 396 1HG LYS 53 1HG LYS 53 -7.098 3.383 1.561 397 2HG LYS 53 2HG LYS 53 -8.332 3.583 0.393 398 1HD LYS 53 1HD LYS 53 -6.436 1.202 0.633 399 2HD LYS 53 2HD LYS 53 -8.015 1.296 1.340 400 1HE LYS 53 2HE LYS 53 -9.133 0.808 -0.596 401 2HE LYS 53 1HE LYS 53 -7.942 1.586 -1.639 402 1HZ LYS 53 1HZ LYS 53 -6.462 -0.168 -1.259 403 2HZ LYS 53 2HZ LYS 53 -7.520 -0.954 -0.263 404 3HZ LYS 53 3HZ LYS 53 -7.883 -0.752 -1.862 405 H CYS 54 H CYS 54 -4.738 3.167 -4.060 406 HA CYS 54 HA CYS 54 -3.632 0.821 -2.603 407 1HB CYS 54 1HB CYS 54 -5.857 0.118 -3.713 408 2HB CYS 54 2HB CYS 54 -5.022 0.400 -5.269 409 HG CYS 54 HG CYS 54 -5.039 -2.141 -4.537 410 H VAL 55 H VAL 55 -1.582 0.609 -2.849 411 HA VAL 55 HA VAL 55 -0.327 0.818 -5.441 412 HB VAL 55 HB VAL 55 1.097 2.588 -3.536 413 1HG1 VAL 55 1HG1 VAL 55 -0.197 4.556 -3.598 414 2HG1 VAL 55 2HG1 VAL 55 -1.195 3.305 -2.842 415 3HG1 VAL 55 3HG1 VAL 55 -1.497 3.810 -4.525 416 1HG2 VAL 55 1HG2 VAL 55 1.095 4.116 -5.497 417 2HG2 VAL 55 2HG2 VAL 55 1.665 2.485 -5.883 418 3HG2 VAL 55 3HG2 VAL 55 0.009 2.991 -6.335 419 H LYS 56 HN LYS 56 2.008 0.349 -5.284 420 HA LYS 56 HA LYS 56 2.737 -1.314 -2.897 421 1HB LYS 56 1HB LYS 56 2.894 -1.795 -5.877 422 2HB LYS 56 2HB LYS 56 3.832 -2.737 -4.746 423 1HG LYS 56 2HG LYS 56 1.979 -3.605 -3.599 424 2HG LYS 56 1HG LYS 56 0.822 -2.567 -4.441 425 1HD LYS 56 2HD LYS 56 2.625 -4.411 -6.048 426 2HD LYS 56 1HD LYS 56 1.254 -5.084 -5.168 427 1HE LYS 56 2HE LYS 56 0.494 -4.575 -7.422 428 2HE LYS 56 1HE LYS 56 -0.290 -3.488 -6.270 429 1HZ LYS 56 1HZ LYS 56 1.212 -1.770 -6.929 430 2HZ LYS 56 2HZ LYS 56 2.024 -2.793 -7.934 431 3HZ LYS 56 3HZ LYS 56 0.464 -2.371 -8.255 432 H LEU 57 H LEU 57 4.653 -0.743 -1.990 433 HA LEU 57 HA LEU 57 6.603 0.864 -3.634 434 1HB LEU 57 1HB LEU 57 5.802 2.049 -1.622 435 2HB LEU 57 2HB LEU 57 6.409 0.719 -0.622 436 HG LEU 57 HG LEU 57 8.622 1.420 -2.249 437 1HD1 LEU 57 1HD2 LEU 57 7.855 2.435 0.488 438 2HD1 LEU 57 2HD2 LEU 57 8.712 0.906 0.134 439 3HD1 LEU 57 3HD2 LEU 57 9.497 2.470 -0.171 440 1HD2 LEU 57 1HD1 LEU 57 7.365 3.433 -3.040 441 2HD2 LEU 57 2HD1 LEU 57 8.847 3.819 -2.147 442 3HD2 LEU 57 3HD1 LEU 57 7.277 3.978 -1.353 443 H ASN 58 H ASN 58 8.269 -0.303 -4.421 444 HA ASN 58 HA ASN 58 8.947 -2.833 -3.560 445 1HB ASN 58 1HB ASN 58 9.224 -1.720 -5.827 446 2HB ASN 58 2HB ASN 58 10.543 -0.752 -5.148 447 1HD2 ASN 58 1HD2 ASN 58 9.435 -3.902 -6.144 448 2HD2 ASN 58 2HD2 ASN 58 10.889 -4.761 -5.728 449 H THR 59 H THR 59 9.899 -3.353 -1.706 450 HA THR 59 HA THR 59 11.540 -1.483 -0.176 451 HB THR 59 HB THR 59 10.936 -4.392 0.464 452 HG1 THR 59 HG1 THR 59 8.966 -3.549 -0.051 453 1HG2 THR 59 1HG2 THR 59 11.133 -1.911 2.218 454 2HG2 THR 59 2HG2 THR 59 10.879 -3.570 2.784 455 3HG2 THR 59 3HG2 THR 59 12.423 -3.119 2.040 456 H ASP 60 HN ASP 60 12.808 -1.974 -2.583 457 HA ASP 60 HA ASP 60 15.311 -3.239 -1.685 458 1HB ASP 60 1HB ASP 60 13.694 -4.964 -2.833 459 2HB ASP 60 2HB ASP 60 14.133 -4.165 -4.337 460 H GLU 61 HN GLU 61 13.464 -1.850 -4.362 461 HA GLU 61 HA GLU 61 15.573 -0.105 -5.343 462 1HB GLU 61 2HB GLU 61 13.638 -1.169 -6.684 463 2HB GLU 61 1HB GLU 61 12.577 0.018 -5.878 464 1HG GLU 61 2HG GLU 61 13.873 1.870 -6.841 465 2HG GLU 61 1HG GLU 61 14.995 0.708 -7.555 466 H SER 62 H SER 62 13.055 -0.023 -2.921 467 HA SER 62 HA SER 62 13.518 2.814 -2.388 468 1HB SER 62 1HB SER 62 10.914 1.483 -1.631 469 2HB SER 62 2HB SER 62 11.226 3.162 -2.068 470 HG SER 62 HG SER 62 11.047 0.818 -3.652 471 HA PRO 63 HA PRO 63 14.504 0.070 1.316 472 1HB PRO 63 2HB PRO 63 17.177 0.581 1.494 473 2HB PRO 63 1HB PRO 63 16.479 -0.578 0.333 474 1HG PRO 63 2HG PRO 63 17.362 2.212 -0.320 475 2HG PRO 63 1HG PRO 63 17.728 0.690 -1.172 476 1HD PRO 63 2HD PRO 63 15.615 2.259 -1.973 477 2HD PRO 63 1HD PRO 63 15.541 0.519 -2.033 478 H ASN 64 H ASN 64 15.653 3.092 0.213 479 HA ASN 64 HA ASN 64 16.339 4.506 2.544 480 1HB ASN 64 1HB ASN 64 14.926 5.772 0.171 481 2HB ASN 64 2HB ASN 64 15.899 6.586 1.390 482 1HD2 ASN 64 2HD2 ASN 64 15.990 4.966 -1.664 483 2HD2 ASN 64 1HD2 ASN 64 17.744 4.851 -1.770 484 H VAL 65 H VAL 65 13.094 4.943 1.013 485 HA VAL 65 HA VAL 65 12.002 6.201 3.311 486 HB VAL 65 HB VAL 65 10.820 4.752 0.909 487 1HG1 VAL 65 1HG2 VAL 65 9.137 4.529 2.649 488 2HG1 VAL 65 2HG2 VAL 65 9.329 6.245 3.085 489 3HG1 VAL 65 3HG2 VAL 65 8.651 5.781 1.502 490 1HG2 VAL 65 1HG1 VAL 65 11.010 7.678 1.792 491 2HG2 VAL 65 2HG1 VAL 65 12.053 6.921 0.585 492 3HG2 VAL 65 3HG1 VAL 65 10.318 7.104 0.262 493 H ALA 66 H ALA 66 11.943 2.799 2.297 494 HA ALA 66 HA ALA 66 10.363 1.780 4.405 495 1HB ALA 66 1HB ALA 66 11.093 0.461 2.449 496 2HB ALA 66 2HB ALA 66 12.756 0.439 3.074 497 3HB ALA 66 3HB ALA 66 11.462 -0.359 3.985 498 H SER 67 H SER 67 13.858 2.577 4.405 499 HA SER 67 HA SER 67 14.345 1.535 7.057 500 1HB SER 67 1HB SER 67 15.964 3.509 5.383 501 2HB SER 67 2HB SER 67 16.509 2.670 6.846 502 HG SER 67 HG SER 67 15.689 1.455 4.411 503 H GLU 68 HN GLU 68 13.649 4.760 5.703 504 HA GLU 68 HA GLU 68 13.974 6.260 8.103 505 1HB GLU 68 2HB GLU 68 12.020 6.654 5.783 506 2HB GLU 68 1HB GLU 68 12.251 7.813 7.088 507 1HG GLU 68 1HG GLU 68 14.472 6.900 5.202 508 2HG GLU 68 2HG GLU 68 13.552 8.398 5.051 509 H TYR 69 H TYR 69 11.123 4.485 6.861 510 HA TYR 69 HA TYR 69 9.589 5.020 9.308 511 1HB TYR 69 2HB TYR 69 9.201 3.270 6.859 512 2HB TYR 69 1HB TYR 69 8.133 3.168 8.248 513 HD1 TYR 69 HD1 TYR 69 7.129 5.444 9.145 514 HD2 TYR 69 HD2 TYR 69 8.631 4.852 5.149 515 HE1 TYR 69 HE1 TYR 69 6.101 7.586 8.445 516 HE2 TYR 69 HE2 TYR 69 7.590 7.007 4.455 517 HH TYR 69 HH TYR 69 6.047 9.204 6.775 518 H GLY 70 H GLY 70 11.625 2.386 8.123 519 1HA GLY 70 1HA GLY 70 12.928 0.992 9.503 520 2HA GLY 70 2HA GLY 70 11.871 1.311 10.884 521 H ILE 71 H ILE 71 10.860 0.409 7.611 522 HA ILE 71 HA ILE 71 9.203 -1.775 8.597 523 HB ILE 71 HB ILE 71 9.689 -0.518 5.860 524 1HG1 ILE 71 2HG1 ILE 71 7.382 -0.276 7.849 525 2HG1 ILE 71 1HG1 ILE 71 8.685 0.892 7.766 526 1HG2 ILE 71 1HG2 ILE 71 7.770 -2.680 6.777 527 2HG2 ILE 71 2HG2 ILE 71 8.792 -2.674 5.329 528 3HG2 ILE 71 3HG2 ILE 71 7.388 -1.637 5.389 529 1HD1 ILE 71 1HD1 ILE 71 6.694 0.408 5.560 530 2HD1 ILE 71 2HD1 ILE 71 6.933 1.849 6.552 531 3HD1 ILE 71 3HD1 ILE 71 8.198 1.366 5.424 532 H ARG 72 HN ARG 72 11.358 -2.685 9.434 533 HA ARG 72 HA ARG 72 12.949 -4.170 7.467 534 1HB ARG 72 1HB ARG 72 13.798 -3.093 9.607 535 2HB ARG 72 2HB ARG 72 12.997 -4.394 10.499 536 1HG ARG 72 2HG ARG 72 14.403 -6.056 9.193 537 2HG ARG 72 1HG ARG 72 15.149 -4.698 8.337 538 1HD ARG 72 1HD ARG 72 16.614 -5.443 10.113 539 2HD ARG 72 2HD ARG 72 16.003 -3.819 10.503 540 HE ARG 72 HE ARG 72 14.276 -5.768 11.654 541 1HH1 ARG 72 2HH2 ARG 72 17.563 -4.544 12.031 542 2HH1 ARG 72 1HH2 ARG 72 17.672 -4.924 13.728 543 1HH2 ARG 72 2HH1 ARG 72 14.386 -6.262 13.876 544 2HH2 ARG 72 1HH1 ARG 72 15.825 -5.922 14.798 545 H SER 73 H SER 73 10.560 -4.976 6.872 546 HA SER 73 HA SER 73 10.499 -7.673 6.718 547 1HB SER 73 2HB SER 73 8.416 -8.086 8.356 548 2HB SER 73 1HB SER 73 10.079 -8.379 8.845 549 HG SER 73 HG SER 73 10.095 -6.468 9.938 550 H ILE 74 H ILE 74 8.525 -8.418 5.635 551 HA ILE 74 HA ILE 74 6.470 -6.495 5.079 552 HB ILE 74 HB ILE 74 6.969 -6.709 2.541 553 1HG1 ILE 74 1HG1 ILE 74 9.817 -7.217 3.393 554 2HG1 ILE 74 2HG1 ILE 74 8.727 -8.475 2.786 555 1HG2 ILE 74 1HG2 ILE 74 9.021 -5.041 4.030 556 2HG2 ILE 74 2HG2 ILE 74 8.201 -4.681 2.514 557 3HG2 ILE 74 3HG2 ILE 74 7.289 -4.629 4.014 558 1HD1 ILE 74 1HD1 ILE 74 9.538 -5.935 1.309 559 2HD1 ILE 74 2HD1 ILE 74 9.963 -7.585 0.891 560 3HD1 ILE 74 3HD1 ILE 74 8.295 -7.067 0.743 561 HA PRO 75 HA PRO 75 4.796 -6.752 2.990 562 1HB PRO 75 1HB PRO 75 2.126 -7.304 3.365 563 2HB PRO 75 2HB PRO 75 3.129 -7.842 2.006 564 1HG PRO 75 1HG PRO 75 2.453 -9.321 4.576 565 2HG PRO 75 2HG PRO 75 2.333 -9.966 2.911 566 1HD PRO 75 2HD PRO 75 4.512 -10.559 4.442 567 2HD PRO 75 1HD PRO 75 4.704 -10.096 2.747 568 H THR 76 H THR 76 4.349 -4.967 3.824 569 HA THR 76 HA THR 76 3.226 -4.601 6.542 570 HB THR 76 HB THR 76 5.811 -3.372 5.527 571 HG1 THR 76 HG1 THR 76 6.696 -4.737 6.892 572 1HG2 THR 76 1HG2 THR 76 5.769 -2.200 7.788 573 2HG2 THR 76 2HG2 THR 76 4.096 -2.737 7.977 574 3HG2 THR 76 3HG2 THR 76 4.529 -1.626 6.660 575 H ILE 77 H ILE 77 1.404 -3.651 5.996 576 HA ILE 77 HA ILE 77 1.151 -1.995 3.541 577 HB ILE 77 HB ILE 77 -0.695 -3.603 5.325 578 1HG1 ILE 77 1HG1 ILE 77 -0.409 -3.518 2.298 579 2HG1 ILE 77 2HG1 ILE 77 0.558 -4.577 3.332 580 1HG2 ILE 77 1HG2 ILE 77 -1.909 -1.536 5.113 581 2HG2 ILE 77 2HG2 ILE 77 -1.422 -1.378 3.415 582 3HG2 ILE 77 3HG2 ILE 77 -2.590 -2.627 3.915 583 1HD1 ILE 77 1HD1 ILE 77 -1.290 -5.842 2.470 584 2HD1 ILE 77 2HD1 ILE 77 -1.508 -5.629 4.217 585 3HD1 ILE 77 3HD1 ILE 77 -2.471 -4.670 3.068 586 H MET 78 H MET 78 0.926 0.231 3.787 587 HA MET 78 HA MET 78 -0.022 1.241 6.440 588 1HB MET 78 2HB MET 78 2.106 2.588 4.807 589 2HB MET 78 1HB MET 78 1.439 3.121 6.346 590 1HG MET 78 2HG MET 78 2.323 1.011 7.394 591 2HG MET 78 1HG MET 78 3.190 0.685 5.890 592 1HE MET 78 1HE MET 78 5.100 0.432 7.898 593 2HE MET 78 2HE MET 78 5.712 1.825 8.822 594 3HE MET 78 3HE MET 78 4.082 1.187 9.143 595 H VAL 79 H VAL 79 -1.165 3.187 6.236 596 HA VAL 79 HA VAL 79 -2.025 3.873 3.449 597 HB VAL 79 HB VAL 79 -3.777 3.784 5.911 598 1HG1 VAL 79 1HG1 VAL 79 -4.248 2.512 3.193 599 2HG1 VAL 79 2HG1 VAL 79 -5.134 2.215 4.695 600 3HG1 VAL 79 3HG1 VAL 79 -3.466 1.634 4.513 601 1HG2 VAL 79 1HG2 VAL 79 -5.545 4.716 4.337 602 2HG2 VAL 79 2HG2 VAL 79 -4.262 5.879 4.650 603 3HG2 VAL 79 3HG2 VAL 79 -4.271 4.982 3.131 604 H PHE 80 H PHE 80 -2.040 5.990 2.977 605 HA PHE 80 HA PHE 80 -1.361 7.934 5.115 606 1HB PHE 80 2HB PHE 80 -0.171 7.720 2.325 607 2HB PHE 80 1HB PHE 80 0.082 9.028 3.443 608 HD1 PHE 80 HD1 PHE 80 0.754 5.382 2.934 609 HD2 PHE 80 HD2 PHE 80 1.855 8.987 5.024 610 HE1 PHE 80 HE1 PHE 80 2.881 4.329 3.651 611 HE2 PHE 80 HE2 PHE 80 3.929 7.899 5.807 612 HZ PHE 80 HZ PHE 80 4.404 5.529 5.217 613 H LYS 81 HN LYS 81 -1.690 10.159 4.398 614 HA LYS 81 HA LYS 81 -3.182 10.871 2.078 615 1HB LYS 81 2HB LYS 81 -5.285 11.420 2.939 616 2HB LYS 81 1HB LYS 81 -5.005 9.787 3.528 617 1HG LYS 81 2HG LYS 81 -4.869 12.363 5.145 618 2HG LYS 81 1HG LYS 81 -6.084 11.086 5.199 619 1HD LYS 81 1HD LYS 81 -4.084 9.520 5.831 620 2HD LYS 81 2HD LYS 81 -3.240 11.009 6.257 621 1HE LYS 81 1HE LYS 81 -5.897 10.072 7.418 622 2HE LYS 81 2HE LYS 81 -4.321 10.051 8.221 623 1HZ LYS 81 1HZ LYS 81 -4.245 12.422 8.056 624 2HZ LYS 81 2HZ LYS 81 -5.588 11.936 8.878 625 3HZ LYS 81 3HZ LYS 81 -5.721 12.464 7.322 626 H GLY 82 H GLY 82 -3.201 13.303 2.000 627 1HA GLY 82 2HA GLY 82 -2.366 15.383 2.581 628 2HA GLY 82 1HA GLY 82 -3.071 14.949 4.157 629 H GLY 83 H GLY 83 -0.179 13.521 2.640 630 1HA GLY 83 2HA GLY 83 2.020 13.512 3.212 631 2HA GLY 83 1HA GLY 83 1.759 15.015 4.092 632 H LYS 84 HN LYS 84 -0.241 12.407 5.281 633 HA LYS 84 HA LYS 84 1.774 11.596 7.312 634 1HB LYS 84 2HB LYS 84 -1.039 12.638 7.871 635 2HB LYS 84 1HB LYS 84 0.051 11.963 9.086 636 1HG LYS 84 2HG LYS 84 0.572 14.514 7.495 637 2HG LYS 84 1HG LYS 84 -0.088 14.422 9.126 638 1HD LYS 84 2HD LYS 84 1.979 13.394 9.983 639 2HD LYS 84 1HD LYS 84 2.665 13.320 8.358 640 1HE LYS 84 2HE LYS 84 3.594 15.218 9.563 641 2HE LYS 84 1HE LYS 84 2.664 15.750 8.153 642 1HZ LYS 84 1HZ LYS 84 0.856 16.279 9.612 643 2HZ LYS 84 2HZ LYS 84 1.691 15.741 10.928 644 3HZ LYS 84 3HZ LYS 84 2.218 17.064 10.100 645 H LYS 85 HN LYS 85 0.857 9.816 8.690 646 HA LYS 85 HA LYS 85 -0.195 7.720 6.930 647 1HB LYS 85 1HB LYS 85 0.825 7.762 9.792 648 2HB LYS 85 2HB LYS 85 0.036 6.358 9.052 649 1HG LYS 85 2HG LYS 85 1.695 6.277 7.262 650 2HG LYS 85 1HG LYS 85 2.501 7.716 7.914 651 1HD LYS 85 2HD LYS 85 3.699 5.663 8.521 652 2HD LYS 85 1HD LYS 85 3.101 6.498 9.963 653 1HE LYS 85 1HE LYS 85 1.234 4.881 10.155 654 2HE LYS 85 2HE LYS 85 1.715 4.122 8.622 655 1HZ LYS 85 1HZ LYS 85 3.297 4.214 11.093 656 2HZ LYS 85 2HZ LYS 85 3.771 3.513 9.679 657 3HZ LYS 85 3HZ LYS 85 2.481 2.908 10.507 658 H CYS 86 H CYS 86 -1.981 6.422 7.571 659 HA CYS 86 HA CYS 86 -4.141 7.787 9.155 660 1HB CYS 86 2HB CYS 86 -4.562 7.443 6.667 661 2HB CYS 86 1HB CYS 86 -4.475 5.708 6.952 662 HG CYS 86 HG CYS 86 -6.221 5.848 9.052 663 H GLU 87 HN GLU 87 -2.882 4.607 8.092 664 HA GLU 87 HA GLU 87 -2.982 3.463 10.744 665 1HB GLU 87 2HB GLU 87 -4.665 1.779 10.369 666 2HB GLU 87 1HB GLU 87 -5.353 3.382 10.206 667 1HG GLU 87 2HG GLU 87 -6.306 2.218 8.474 668 2HG GLU 87 1HG GLU 87 -5.067 3.114 7.643 669 H THR 88 H THR 88 -2.662 0.817 10.262 670 HA THR 88 HA THR 88 -1.184 0.241 7.894 671 HB THR 88 HB THR 88 0.608 1.441 9.018 672 HG1 THR 88 HG1 THR 88 1.116 -0.729 8.207 673 1HG2 THR 88 1HG2 THR 88 -0.253 1.519 11.326 674 2HG2 THR 88 2HG2 THR 88 -0.010 -0.234 11.495 675 3HG2 THR 88 3HG2 THR 88 1.382 0.845 11.306 676 H ILE 89 H ILE 89 -0.609 -2.005 7.768 677 HA ILE 89 HA ILE 89 -1.785 -3.869 9.715 678 HB ILE 89 HB ILE 89 -2.420 -3.811 6.718 679 1HG1 ILE 89 1HG1 ILE 89 -3.802 -2.224 7.963 680 2HG1 ILE 89 2HG1 ILE 89 -4.697 -3.568 7.280 681 1HG2 ILE 89 1HG2 ILE 89 -2.193 -6.131 7.319 682 2HG2 ILE 89 2HG2 ILE 89 -3.125 -5.904 8.817 683 3HG2 ILE 89 3HG2 ILE 89 -3.913 -5.772 7.233 684 1HD1 ILE 89 1HD1 ILE 89 -3.923 -3.389 10.229 685 2HD1 ILE 89 2HD1 ILE 89 -4.945 -4.628 9.470 686 3HD1 ILE 89 3HD1 ILE 89 -5.490 -2.949 9.548 687 H ILE 90 H ILE 90 -0.776 -6.057 9.313 688 HA ILE 90 HA ILE 90 1.708 -5.982 7.700 689 HB ILE 90 HB ILE 90 1.692 -6.687 10.673 690 1HG1 ILE 90 2HG1 ILE 90 2.765 -4.220 9.232 691 2HG1 ILE 90 1HG1 ILE 90 1.482 -4.267 10.453 692 1HG2 ILE 90 1HG2 ILE 90 3.996 -6.446 8.676 693 2HG2 ILE 90 2HG2 ILE 90 4.136 -6.892 10.389 694 3HG2 ILE 90 3HG2 ILE 90 3.332 -7.978 9.282 695 1HD1 ILE 90 1HD1 ILE 90 3.408 -3.450 11.535 696 2HD1 ILE 90 2HD1 ILE 90 4.435 -4.748 10.919 697 3HD1 ILE 90 3HD1 ILE 90 3.165 -5.108 12.120 698 H GLY 91 H GLY 91 2.315 -8.014 6.990 699 1HA GLY 91 1HA GLY 91 2.250 -10.319 6.778 700 2HA GLY 91 2HA GLY 91 0.999 -10.438 8.020 701 H ALA 92 H ALA 92 0.998 -11.846 5.518 702 HA ALA 92 HA ALA 92 -0.820 -10.569 3.648 703 1HB ALA 92 1HB ALA 92 0.013 -13.481 4.039 704 2HB ALA 92 2HB ALA 92 0.756 -12.309 2.928 705 3HB ALA 92 3HB ALA 92 -0.910 -12.854 2.661 706 H VAL 93 H VAL 93 -3.074 -10.698 3.605 707 HA VAL 93 HA VAL 93 -4.486 -12.548 5.393 708 HB VAL 93 HB VAL 93 -5.947 -10.823 6.251 709 1HG1 VAL 93 1HG2 VAL 93 -5.470 -8.395 5.936 710 2HG1 VAL 93 2HG2 VAL 93 -5.977 -9.211 4.460 711 3HG1 VAL 93 3HG2 VAL 93 -4.263 -8.812 4.701 712 1HG2 VAL 93 1HG1 VAL 93 -3.090 -9.924 6.767 713 2HG2 VAL 93 2HG1 VAL 93 -3.877 -11.322 7.535 714 3HG2 VAL 93 3HG1 VAL 93 -4.503 -9.687 7.806 715 HA PRO 94 HA PRO 94 -6.642 -12.887 1.603 716 1HB PRO 94 1HB PRO 94 -9.147 -13.796 2.264 717 2HB PRO 94 2HB PRO 94 -7.658 -14.757 2.467 718 1HG PRO 94 2HG PRO 94 -9.101 -13.102 4.549 719 2HG PRO 94 1HG PRO 94 -8.525 -14.785 4.711 720 1HD PRO 94 2HD PRO 94 -7.097 -12.662 5.654 721 2HD PRO 94 1HD PRO 94 -6.271 -14.074 4.943 722 H LYS 95 HN LYS 95 -8.254 -12.097 0.230 723 HA LYS 95 HA LYS 95 -8.626 -9.436 0.070 724 1HB LYS 95 2HB LYS 95 -9.102 -11.251 -1.663 725 2HB LYS 95 1HB LYS 95 -10.671 -11.510 -0.897 726 1HG LYS 95 1HG LYS 95 -11.278 -9.131 -1.385 727 2HG LYS 95 2HG LYS 95 -9.690 -8.911 -2.147 728 1HD LYS 95 1HD LYS 95 -10.241 -10.761 -3.752 729 2HD LYS 95 2HD LYS 95 -11.879 -10.816 -3.081 730 1HE LYS 95 2HE LYS 95 -10.554 -8.390 -4.400 731 2HE LYS 95 1HE LYS 95 -11.735 -9.464 -5.168 732 1HZ LYS 95 1HZ LYS 95 -13.311 -8.800 -3.479 733 2HZ LYS 95 2HZ LYS 95 -12.782 -7.525 -4.378 734 3HZ LYS 95 3HZ LYS 95 -12.216 -7.741 -2.844 735 H ALA 96 H ALA 96 -11.067 -11.690 1.446 736 HA ALA 96 HA ALA 96 -13.082 -9.853 2.069 737 1HB ALA 96 1HB ALA 96 -13.751 -11.475 3.815 738 2HB ALA 96 2HB ALA 96 -12.180 -12.292 3.673 739 3HB ALA 96 3HB ALA 96 -13.315 -12.298 2.305 740 H THR 97 H THR 97 -10.124 -10.660 3.982 741 HA THR 97 HA THR 97 -10.877 -9.018 6.235 742 HB THR 97 HB THR 97 -8.109 -9.977 5.391 743 HG1 THR 97 HG1 THR 97 -10.138 -11.263 6.905 744 1HG2 THR 97 1HG2 THR 97 -7.699 -9.956 7.842 745 2HG2 THR 97 2HG2 THR 97 -8.092 -8.336 7.241 746 3HG2 THR 97 3HG2 THR 97 -9.318 -9.281 8.112 747 H ILE 98 H ILE 98 -8.740 -8.611 3.350 748 HA ILE 98 HA ILE 98 -7.780 -6.023 4.030 749 HB ILE 98 HB ILE 98 -8.292 -7.154 1.232 750 1HG1 ILE 98 1HG1 ILE 98 -5.827 -7.228 3.028 751 2HG1 ILE 98 2HG1 ILE 98 -6.823 -8.601 2.510 752 1HG2 ILE 98 1HG2 ILE 98 -7.981 -4.652 1.282 753 2HG2 ILE 98 2HG2 ILE 98 -6.488 -4.876 2.210 754 3HG2 ILE 98 3HG2 ILE 98 -6.608 -5.445 0.536 755 1HD1 ILE 98 1HD1 ILE 98 -4.879 -8.658 1.184 756 2HD1 ILE 98 2HD1 ILE 98 -6.200 -8.112 0.134 757 3HD1 ILE 98 3HD1 ILE 98 -4.997 -6.951 0.751 758 H VAL 99 H VAL 99 -10.594 -6.896 1.943 759 HA VAL 99 HA VAL 99 -11.471 -4.260 1.441 760 HB VAL 99 HB VAL 99 -13.003 -6.882 1.570 761 1HG1 VAL 99 1HG1 VAL 99 -14.641 -5.070 1.784 762 2HG1 VAL 99 2HG1 VAL 99 -13.872 -4.181 0.451 763 3HG1 VAL 99 3HG1 VAL 99 -14.703 -5.718 0.144 764 1HG2 VAL 99 1HG2 VAL 99 -11.945 -5.261 -0.799 765 2HG2 VAL 99 2HG2 VAL 99 -12.802 -6.812 -0.886 766 3HG2 VAL 99 3HG2 VAL 99 -11.184 -6.734 -0.177 767 H GLN 100 H GLN 100 -12.585 -6.544 4.070 768 HA GLN 100 HA GLN 100 -14.396 -4.687 5.242 769 1HB GLN 100 1HB GLN 100 -12.753 -6.971 6.390 770 2HB GLN 100 2HB GLN 100 -13.888 -6.033 7.374 771 1HG GLN 100 2HG GLN 100 -15.760 -6.604 5.994 772 2HG GLN 100 1HG GLN 100 -14.740 -7.390 4.783 773 1HE2 GLN 100 1HE2 GLN 100 -13.334 -9.191 5.639 774 2HE2 GLN 100 2HE2 GLN 100 -14.079 -10.309 6.798 775 H THR 101 H THR 101 -10.928 -5.231 5.846 776 HA THR 101 HA THR 101 -10.605 -3.337 7.950 777 HB THR 101 HB THR 101 -8.583 -4.343 5.872 778 HG1 THR 101 HG1 THR 101 -9.445 -5.970 7.116 779 1HG2 THR 101 1HG2 THR 101 -7.659 -2.366 6.865 780 2HG2 THR 101 2HG2 THR 101 -6.930 -3.771 7.647 781 3HG2 THR 101 3HG2 THR 101 -8.194 -2.857 8.494 782 H VAL 102 H VAL 102 -10.377 -2.915 4.356 783 HA VAL 102 HA VAL 102 -9.724 -0.109 4.529 784 HB VAL 102 HB VAL 102 -11.018 -1.851 2.395 785 1HG1 VAL 102 1HG1 VAL 102 -8.305 -0.487 2.624 786 2HG1 VAL 102 2HG1 VAL 102 -8.872 -1.442 1.233 787 3HG1 VAL 102 3HG1 VAL 102 -8.612 -2.218 2.803 788 1HG2 VAL 102 1HG2 VAL 102 -11.940 0.381 2.015 789 2HG2 VAL 102 2HG2 VAL 102 -10.320 1.101 2.166 790 3HG2 VAL 102 3HG2 VAL 102 -10.717 0.014 0.813 791 H GLU 103 HN GLU 103 -12.836 -1.748 3.941 792 HA GLU 103 HA GLU 103 -14.497 0.426 3.779 793 1HB GLU 103 1HB GLU 103 -14.924 -2.360 4.910 794 2HB GLU 103 2HB GLU 103 -16.237 -1.195 4.826 795 1HG GLU 103 2HG GLU 103 -14.572 -2.047 2.412 796 2HG GLU 103 1HG GLU 103 -16.146 -2.731 2.843 797 H LYS 104 HN LYS 104 -13.683 -1.205 6.864 798 HA LYS 104 HA LYS 104 -15.274 0.439 8.503 799 1HB LYS 104 1HB LYS 104 -13.753 -0.130 10.340 800 2HB LYS 104 2HB LYS 104 -14.223 -1.539 9.377 801 1HG LYS 104 2HG LYS 104 -12.098 -1.838 8.565 802 2HG LYS 104 1HG LYS 104 -11.674 -0.129 8.657 803 1HD LYS 104 1HD LYS 104 -10.329 -1.265 10.189 804 2HD LYS 104 2HD LYS 104 -11.444 -0.236 11.084 805 1HE LYS 104 2HE LYS 104 -11.815 -3.256 10.633 806 2HE LYS 104 1HE LYS 104 -11.039 -2.554 12.060 807 1HZ LYS 104 1HZ LYS 104 -13.080 -1.398 12.534 808 2HZ LYS 104 2HZ LYS 104 -13.822 -2.122 11.254 809 3HZ LYS 104 3HZ LYS 104 -13.289 -3.032 12.515 810 H TYR 105 H TYR 105 -12.267 1.404 6.898 811 HA TYR 105 HA TYR 105 -11.849 3.700 8.699 812 1HB TYR 105 1HB TYR 105 -10.539 2.965 6.056 813 2HB TYR 105 2HB TYR 105 -9.971 4.170 7.191 814 HD1 TYR 105 HD1 TYR 105 -8.579 1.581 6.001 815 HD2 TYR 105 HD2 TYR 105 -10.169 2.762 9.831 816 HE1 TYR 105 HE1 TYR 105 -7.258 -0.173 7.099 817 HE2 TYR 105 HE2 TYR 105 -8.872 0.974 10.920 818 HH TYR 105 HH TYR 105 -6.416 -0.804 9.241 819 H LEU 106 H LEU 106 -13.862 2.999 6.024 820 HA LEU 106 HA LEU 106 -14.157 5.866 5.270 821 1HB LEU 106 2HB LEU 106 -14.987 3.295 3.851 822 2HB LEU 106 1HB LEU 106 -15.455 4.928 3.373 823 HG LEU 106 HG LEU 106 -12.895 5.434 3.273 824 1HD1 LEU 106 1HD1 LEU 106 -12.834 4.669 0.929 825 2HD1 LEU 106 2HD1 LEU 106 -14.188 3.574 1.203 826 3HD1 LEU 106 3HD1 LEU 106 -14.419 5.336 1.279 827 1HD2 LEU 106 1HD2 LEU 106 -12.897 2.395 3.098 828 2HD2 LEU 106 2HD2 LEU 106 -12.006 3.403 4.262 829 3HD2 LEU 106 3HD2 LEU 106 -11.560 3.430 2.565 830 H ASN 107 H ASN 107 -15.927 2.931 6.305 831 HA ASN 107 HA ASN 107 -17.975 4.494 7.641 832 1HB ASN 107 2HB ASN 107 -19.808 3.298 6.315 833 2HB ASN 107 1HB ASN 107 -19.011 4.666 5.540 834 1HD2 ASN 107 1HD2 ASN 107 -17.687 1.308 5.720 835 2HD2 ASN 107 2HD2 ASN 107 -17.768 1.036 3.967 Start of MODEL 18 1 1H MET 1 1H MET 1 -8.144 -1.367 -13.307 2 2H MET 1 2H MET 1 -8.106 -1.061 -14.941 3 3H MET 1 3H MET 1 -7.414 -2.445 -14.306 4 HA MET 1 HA MET 1 -5.812 -0.774 -14.960 5 1HB MET 1 2HB MET 1 -7.276 1.065 -13.862 6 2HB MET 1 1HB MET 1 -6.617 0.525 -12.317 7 1HG MET 1 2HG MET 1 -4.278 0.965 -13.330 8 2HG MET 1 1HG MET 1 -5.089 1.613 -14.738 9 1HE MET 1 1HE MET 1 -6.398 3.820 -14.802 10 2HE MET 1 2HE MET 1 -7.509 3.391 -13.473 11 3HE MET 1 3HE MET 1 -6.611 4.921 -13.423 12 H GLU 2 HN GLU 2 -4.666 -0.342 -11.946 13 HA GLU 2 HA GLU 2 -4.366 -2.966 -10.920 14 1HB GLU 2 1HB GLU 2 -1.900 -3.100 -11.455 15 2HB GLU 2 2HB GLU 2 -2.960 -3.381 -12.838 16 1HG GLU 2 2HG GLU 2 -2.553 -1.069 -13.649 17 2HG GLU 2 1HG GLU 2 -1.567 -0.725 -12.219 18 H ALA 3 H ALA 3 -2.448 -2.725 -9.188 19 HA ALA 3 HA ALA 3 -3.120 -0.273 -7.721 20 1HB ALA 3 1HB ALA 3 -1.396 -2.697 -7.079 21 2HB ALA 3 2HB ALA 3 -3.051 -2.369 -6.551 22 3HB ALA 3 3HB ALA 3 -1.717 -1.358 -5.955 23 H GLY 4 H GLY 4 -1.606 1.275 -7.043 24 1HA GLY 4 1HA GLY 4 0.245 2.048 -9.106 25 2HA GLY 4 2HA GLY 4 0.041 2.813 -7.528 26 H ALA 5 H ALA 5 2.205 0.956 -9.443 27 HA ALA 5 HA ALA 5 3.723 -0.124 -7.151 28 1HB ALA 5 1HB ALA 5 5.421 -0.653 -8.816 29 2HB ALA 5 2HB ALA 5 4.480 0.181 -10.076 30 3HB ALA 5 3HB ALA 5 3.829 -1.286 -9.295 31 H VAL 6 H VAL 6 4.845 1.280 -5.891 32 HA VAL 6 HA VAL 6 5.777 3.876 -7.098 33 HB VAL 6 HB VAL 6 5.488 4.922 -4.894 34 1HG1 VAL 6 1HG1 VAL 6 5.537 3.081 -3.377 35 2HG1 VAL 6 2HG1 VAL 6 4.114 2.327 -4.118 36 3HG1 VAL 6 3HG1 VAL 6 3.964 3.853 -3.239 37 1HG2 VAL 6 1HG2 VAL 6 3.075 5.160 -4.965 38 2HG2 VAL 6 2HG2 VAL 6 3.779 5.231 -6.589 39 3HG2 VAL 6 3HG2 VAL 6 2.942 3.758 -6.048 40 H ASN 7 H ASN 7 7.470 4.915 -5.895 41 HA ASN 7 HA ASN 7 9.509 3.190 -4.667 42 1HB ASN 7 1HB ASN 7 10.160 3.207 -7.028 43 2HB ASN 7 2HB ASN 7 9.849 4.949 -7.159 44 1HD2 ASN 7 2HD2 ASN 7 11.922 2.530 -5.542 45 2HD2 ASN 7 1HD2 ASN 7 13.315 3.560 -5.338 46 H ASP 8 HN ASP 8 11.243 4.764 -3.905 47 HA ASP 8 HA ASP 8 10.446 6.452 -1.949 48 1HB ASP 8 1HB ASP 8 12.794 5.710 -2.501 49 2HB ASP 8 2HB ASP 8 12.873 6.930 -3.758 50 H ASP 9 HN ASP 9 11.303 7.519 -5.201 51 HA ASP 9 HA ASP 9 10.681 10.282 -4.951 52 1HB ASP 9 1HB ASP 9 11.923 9.426 -6.845 53 2HB ASP 9 2HB ASP 9 10.581 8.422 -7.375 54 H THR 10 H THR 10 8.661 7.987 -6.785 55 HA THR 10 HA THR 10 6.412 9.630 -7.028 56 HB THR 10 HB THR 10 5.235 7.429 -7.519 57 HG1 THR 10 HG1 THR 10 6.769 5.662 -7.715 58 1HG2 THR 10 1HG2 THR 10 6.557 6.979 -9.546 59 2HG2 THR 10 2HG2 THR 10 6.470 8.726 -9.260 60 3HG2 THR 10 3HG2 THR 10 7.953 7.836 -8.867 61 H PHE 11 H PHE 11 7.204 7.365 -4.451 62 HA PHE 11 HA PHE 11 4.945 7.065 -2.973 63 1HB PHE 11 2HB PHE 11 7.348 6.338 -2.478 64 2HB PHE 11 1HB PHE 11 7.601 7.893 -1.738 65 HD1 PHE 11 HD1 PHE 11 5.953 4.612 -1.489 66 HD2 PHE 11 HD2 PHE 11 6.563 8.418 0.412 67 HE1 PHE 11 HE1 PHE 11 5.536 3.574 0.727 68 HE2 PHE 11 HE2 PHE 11 5.903 7.434 2.601 69 HZ PHE 11 HZ PHE 11 5.399 4.999 2.759 70 H LYS 12 HN LYS 12 7.050 9.885 -3.021 71 HA LYS 12 HA LYS 12 5.858 11.362 -0.896 72 1HB LYS 12 2HB LYS 12 7.234 12.369 -3.420 73 2HB LYS 12 1HB LYS 12 6.868 13.351 -1.995 74 1HG LYS 12 2HG LYS 12 8.287 11.929 -0.582 75 2HG LYS 12 1HG LYS 12 8.595 10.829 -1.930 76 1HD LYS 12 1HD LYS 12 9.648 12.747 -3.197 77 2HD LYS 12 2HD LYS 12 9.408 13.766 -1.765 78 1HE LYS 12 2HE LYS 12 11.682 12.968 -1.690 79 2HE LYS 12 1HE LYS 12 10.789 12.087 -0.438 80 1HZ LYS 12 1HZ LYS 12 10.584 10.263 -2.048 81 2HZ LYS 12 2HZ LYS 12 11.510 11.106 -3.113 82 3HZ LYS 12 3HZ LYS 12 12.144 10.605 -1.677 83 H ASN 13 H ASN 13 5.144 11.456 -4.410 84 HA ASN 13 HA ASN 13 2.991 13.406 -4.090 85 1HB ASN 13 1HB ASN 13 3.815 11.625 -6.418 86 2HB ASN 13 2HB ASN 13 2.681 12.964 -6.493 87 1HD2 ASN 13 2HD2 ASN 13 4.479 14.680 -4.560 88 2HD2 ASN 13 1HD2 ASN 13 5.734 15.190 -5.670 89 H VAL 14 H VAL 14 3.202 9.958 -4.868 90 HA VAL 14 HA VAL 14 0.354 9.628 -5.180 91 HB VAL 14 HB VAL 14 2.721 7.703 -4.999 92 1HG1 VAL 14 1HG1 VAL 14 1.197 8.817 -7.398 93 2HG1 VAL 14 2HG1 VAL 14 2.501 7.616 -7.468 94 3HG1 VAL 14 3HG1 VAL 14 2.851 9.261 -6.936 95 1HG2 VAL 14 1HG2 VAL 14 1.245 6.092 -6.194 96 2HG2 VAL 14 2HG2 VAL 14 -0.130 7.174 -5.897 97 3HG2 VAL 14 3HG2 VAL 14 0.731 6.412 -4.531 98 H VAL 15 H VAL 15 2.625 8.929 -2.499 99 HA VAL 15 HA VAL 15 0.404 7.612 -1.014 100 HB VAL 15 HB VAL 15 3.390 7.432 -0.467 101 1HG1 VAL 15 1HG1 VAL 15 2.679 5.392 0.713 102 2HG1 VAL 15 2HG1 VAL 15 0.978 5.794 0.382 103 3HG1 VAL 15 3HG1 VAL 15 1.982 6.875 1.383 104 1HG2 VAL 15 1HG2 VAL 15 3.375 5.328 -1.623 105 2HG2 VAL 15 2HG2 VAL 15 1.648 5.500 -2.031 106 3HG2 VAL 15 3HG2 VAL 15 2.860 6.550 -2.783 107 H LEU 16 H LEU 16 3.170 9.927 -0.381 108 HA LEU 16 HA LEU 16 2.198 10.445 2.302 109 1HB LEU 16 2HB LEU 16 4.076 12.057 0.518 110 2HB LEU 16 1HB LEU 16 3.665 12.462 2.155 111 HG LEU 16 HG LEU 16 5.095 9.960 1.155 112 1HD1 LEU 16 1HD1 LEU 16 7.046 10.879 2.286 113 2HD1 LEU 16 2HD1 LEU 16 6.404 12.103 1.174 114 3HD1 LEU 16 3HD1 LEU 16 6.083 12.240 2.912 115 1HD2 LEU 16 1HD2 LEU 16 3.898 9.215 3.073 116 2HD2 LEU 16 2HD2 LEU 16 4.237 10.714 3.978 117 3HD2 LEU 16 3HD2 LEU 16 5.536 9.552 3.643 118 H GLU 17 HN GLU 17 2.333 12.567 -0.553 119 HA GLU 17 HA GLU 17 0.312 14.379 0.407 120 1HB GLU 17 2HB GLU 17 1.560 14.010 -2.333 121 2HB GLU 17 1HB GLU 17 0.648 15.419 -1.802 122 1HG GLU 17 1HG GLU 17 2.338 15.981 -0.139 123 2HG GLU 17 2HG GLU 17 3.270 14.527 -0.505 124 H SER 18 H SER 18 -0.963 11.961 0.534 125 HA SER 18 HA SER 18 -2.448 11.311 -1.886 126 1HB SER 18 1HB SER 18 -3.473 9.684 -0.145 127 2HB SER 18 2HB SER 18 -1.780 9.477 -0.630 128 HG SER 18 HG SER 18 -1.123 10.123 1.302 129 H SER 19 H SER 19 -4.312 12.297 -2.456 130 HA SER 19 HA SER 19 -5.860 13.978 -0.637 131 1HB SER 19 2HB SER 19 -7.280 14.042 -2.804 132 2HB SER 19 1HB SER 19 -5.633 14.704 -2.903 133 HG SER 19 HG SER 19 -6.002 13.262 -4.634 134 H VAL 20 H VAL 20 -6.488 11.228 -2.750 135 HA VAL 20 HA VAL 20 -8.744 10.162 -1.175 136 HB VAL 20 HB VAL 20 -8.723 8.338 -2.810 137 1HG1 VAL 20 1HG2 VAL 20 -6.282 9.663 -4.071 138 2HG1 VAL 20 2HG2 VAL 20 -6.310 8.093 -3.236 139 3HG1 VAL 20 3HG2 VAL 20 -7.224 8.316 -4.729 140 1HG2 VAL 20 1HG1 VAL 20 -8.439 11.116 -4.075 141 2HG2 VAL 20 2HG1 VAL 20 -9.905 10.454 -3.315 142 3HG2 VAL 20 3HG1 VAL 20 -9.247 9.718 -4.784 143 HA PRO 21 HA PRO 21 -6.210 7.825 1.455 144 1HB PRO 21 1HB PRO 21 -7.956 5.461 1.564 145 2HB PRO 21 2HB PRO 21 -7.723 6.687 2.829 146 1HG PRO 21 2HG PRO 21 -10.000 6.360 1.345 147 2HG PRO 21 1HG PRO 21 -9.516 7.909 2.113 148 1HD PRO 21 2HD PRO 21 -9.215 7.131 -0.817 149 2HD PRO 21 1HD PRO 21 -9.748 8.640 -0.160 150 H VAL 22 H VAL 22 -4.821 6.086 1.496 151 HA VAL 22 HA VAL 22 -4.888 4.167 -0.610 152 HB VAL 22 HB VAL 22 -2.280 5.010 -1.105 153 1HG1 VAL 22 1HG2 VAL 22 -4.051 4.205 -2.749 154 2HG1 VAL 22 2HG2 VAL 22 -4.871 5.760 -2.603 155 3HG1 VAL 22 3HG2 VAL 22 -3.259 5.685 -3.316 156 1HG2 VAL 22 1HG1 VAL 22 -3.930 7.511 -1.090 157 2HG2 VAL 22 2HG1 VAL 22 -2.683 7.093 0.114 158 3HG2 VAL 22 3HG1 VAL 22 -2.255 7.288 -1.597 159 H LEU 23 H LEU 23 -4.069 2.206 -0.208 160 HA LEU 23 HA LEU 23 -2.603 1.779 2.307 161 1HB LEU 23 2HB LEU 23 -4.635 0.425 1.495 162 2HB LEU 23 1HB LEU 23 -3.590 -0.191 0.216 163 HG LEU 23 HG LEU 23 -3.417 -0.757 3.166 164 1HD1 LEU 23 1HD1 LEU 23 -1.359 -1.451 1.040 165 2HD1 LEU 23 2HD1 LEU 23 -1.107 -0.562 2.575 166 3HD1 LEU 23 3HD1 LEU 23 -1.505 -2.274 2.604 167 1HD2 LEU 23 1HD2 LEU 23 -3.736 -3.065 2.344 168 2HD2 LEU 23 2HD2 LEU 23 -3.753 -2.481 0.674 169 3HD2 LEU 23 3HD2 LEU 23 -5.050 -2.009 1.793 170 H VAL 24 H VAL 24 -0.324 1.714 2.144 171 HA VAL 24 HA VAL 24 0.730 0.805 -0.476 172 HB VAL 24 HB VAL 24 1.279 3.277 0.496 173 1HG1 VAL 24 1HG1 VAL 24 3.442 3.338 1.572 174 2HG1 VAL 24 2HG1 VAL 24 3.588 1.574 1.527 175 3HG1 VAL 24 3HG1 VAL 24 2.397 2.360 2.586 176 1HG2 VAL 24 1HG2 VAL 24 3.391 3.126 -0.839 177 2HG2 VAL 24 2HG2 VAL 24 3.179 1.363 -0.917 178 3HG2 VAL 24 3HG2 VAL 24 1.995 2.444 -1.665 179 H ASP 25 HN ASP 25 1.375 -1.191 -0.258 180 HA ASP 25 HA ASP 25 2.204 -2.189 2.442 181 1HB ASP 25 2HB ASP 25 0.671 -3.721 1.847 182 2HB ASP 25 1HB ASP 25 1.013 -3.611 0.135 183 H PHE 26 H PHE 26 4.467 -2.755 2.417 184 HA PHE 26 HA PHE 26 6.151 -1.702 0.230 185 1HB PHE 26 1HB PHE 26 6.692 -2.559 3.093 186 2HB PHE 26 2HB PHE 26 7.937 -2.096 1.947 187 HD1 PHE 26 HD1 PHE 26 4.569 -0.522 2.983 188 HD2 PHE 26 HD2 PHE 26 8.827 0.013 2.433 189 HE1 PHE 26 HE1 PHE 26 4.433 1.604 4.094 190 HE2 PHE 26 HE2 PHE 26 8.621 2.272 3.370 191 HZ PHE 26 HZ PHE 26 6.442 3.063 4.302 192 H TRP 27 H TRP 27 6.673 -3.189 -1.285 193 HA TRP 27 HA TRP 27 6.553 -6.106 -0.605 194 1HB TRP 27 1HB TRP 27 5.611 -6.522 -2.786 195 2HB TRP 27 2HB TRP 27 4.643 -5.290 -2.017 196 HD1 TRP 27 HD1 TRP 27 5.310 -2.754 -2.889 197 HE1 TRP 27 HE1 TRP 27 6.001 -1.879 -5.231 198 HE3 TRP 27 HE3 TRP 27 6.628 -7.219 -5.069 199 HZ2 TRP 27 HZ2 TRP 27 7.200 -2.979 -7.583 200 HZ3 TRP 27 HZ3 TRP 27 7.524 -7.253 -7.339 201 HH2 TRP 27 HH2 TRP 27 7.815 -5.153 -8.627 202 H ALA 28 H ALA 28 7.554 -7.240 -2.701 203 HA ALA 28 HA ALA 28 9.574 -5.920 -4.138 204 1HB ALA 28 1HB ALA 28 10.891 -6.162 -1.982 205 2HB ALA 28 2HB ALA 28 10.586 -7.916 -2.042 206 3HB ALA 28 3HB ALA 28 11.565 -7.135 -3.295 207 HA PRO 29 HA PRO 29 8.351 -9.395 -6.570 208 1HB PRO 29 1HB PRO 29 11.156 -9.892 -7.486 209 2HB PRO 29 2HB PRO 29 9.669 -9.530 -8.425 210 1HG PRO 29 2HG PRO 29 11.655 -7.646 -8.038 211 2HG PRO 29 1HG PRO 29 9.922 -7.232 -8.154 212 1HD PRO 29 1HD PRO 29 11.602 -7.450 -5.651 213 2HD PRO 29 2HD PRO 29 10.295 -6.328 -6.065 214 H TRP 30 H TRP 30 11.389 -9.901 -4.727 215 HA TRP 30 HA TRP 30 11.105 -12.763 -4.592 216 1HB TRP 30 2HB TRP 30 12.843 -12.568 -2.835 217 2HB TRP 30 1HB TRP 30 13.253 -11.816 -4.368 218 HD1 TRP 30 HD1 TRP 30 13.933 -9.348 -4.363 219 HE1 TRP 30 HE1 TRP 30 14.329 -7.571 -2.567 220 HE3 TRP 30 HE3 TRP 30 11.726 -11.721 -0.386 221 HZ2 TRP 30 HZ2 TRP 30 13.668 -7.176 0.215 222 HZ3 TRP 30 HZ3 TRP 30 11.563 -10.582 1.802 223 HH2 TRP 30 HH2 TRP 30 12.472 -8.296 2.100 224 H CYS 31 H CYS 31 9.317 -10.254 -2.935 225 HA CYS 31 HA CYS 31 9.036 -11.754 -0.423 226 1HB CYS 31 2HB CYS 31 8.842 -9.425 -0.263 227 2HB CYS 31 1HB CYS 31 7.671 -9.337 -1.576 228 H GLY 32 H GLY 32 8.226 -13.778 -0.743 229 1HA GLY 32 1HA GLY 32 6.380 -14.806 -2.458 230 2HA GLY 32 2HA GLY 32 6.545 -15.371 -0.798 231 HA PRO 33 HA PRO 33 2.548 -13.899 0.456 232 1HB PRO 33 2HB PRO 33 3.809 -11.506 1.818 233 2HB PRO 33 1HB PRO 33 2.482 -12.547 2.415 234 1HG PRO 33 2HG PRO 33 4.995 -12.981 3.313 235 2HG PRO 33 1HG PRO 33 3.985 -14.357 2.778 236 1HD PRO 33 2HD PRO 33 6.184 -12.930 1.246 237 2HD PRO 33 1HD PRO 33 5.885 -14.685 1.389 238 H CYS 34 H CYS 34 4.717 -11.314 -0.595 239 HA CYS 34 HA CYS 34 2.733 -9.386 -1.346 240 1HB CYS 34 2HB CYS 34 5.533 -9.530 -2.435 241 2HB CYS 34 1HB CYS 34 4.378 -8.216 -2.410 242 H ARG 35 HN ARG 35 4.733 -11.805 -3.201 243 HA ARG 35 HA ARG 35 3.649 -11.297 -5.753 244 1HB ARG 35 1HB ARG 35 4.711 -13.882 -4.505 245 2HB ARG 35 2HB ARG 35 4.196 -13.715 -6.176 246 1HG ARG 35 2HG ARG 35 5.883 -11.796 -6.393 247 2HG ARG 35 1HG ARG 35 6.542 -12.357 -4.850 248 1HD ARG 35 2HD ARG 35 6.183 -13.995 -7.420 249 2HD ARG 35 1HD ARG 35 7.719 -13.388 -6.838 250 HE ARG 35 HE ARG 35 6.313 -15.769 -5.996 251 1HH1 ARG 35 1HH1 ARG 35 8.522 -13.272 -4.859 252 2HH1 ARG 35 2HH1 ARG 35 9.206 -14.233 -3.569 253 1HH2 ARG 35 2HH2 ARG 35 7.296 -17.117 -4.433 254 2HH2 ARG 35 1HH2 ARG 35 8.564 -16.502 -3.405 255 H ILE 36 H ILE 36 2.523 -13.678 -3.246 256 HA ILE 36 HA ILE 36 0.425 -14.559 -5.042 257 HB ILE 36 HB ILE 36 -0.434 -15.900 -3.214 258 1HG1 ILE 36 2HG1 ILE 36 1.198 -16.006 -1.141 259 2HG1 ILE 36 1HG1 ILE 36 1.476 -14.314 -1.509 260 1HG2 ILE 36 1HG2 ILE 36 1.517 -17.332 -3.031 261 2HG2 ILE 36 2HG2 ILE 36 1.486 -16.603 -4.641 262 3HG2 ILE 36 3HG2 ILE 36 2.608 -15.987 -3.410 263 1HD1 ILE 36 1HD1 ILE 36 -0.297 -14.555 0.172 264 2HD1 ILE 36 2HD1 ILE 36 -1.169 -15.706 -0.859 265 3HD1 ILE 36 3HD1 ILE 36 -1.075 -14.002 -1.322 266 H ILE 37 H ILE 37 0.392 -11.964 -2.520 267 HA ILE 37 HA ILE 37 -2.512 -11.677 -2.946 268 HB ILE 37 HB ILE 37 -2.406 -9.709 -1.583 269 1HG1 ILE 37 1HG1 ILE 37 0.593 -10.011 -1.750 270 2HG1 ILE 37 2HG1 ILE 37 -0.377 -8.632 -2.208 271 1HG2 ILE 37 1HG2 ILE 37 -2.467 -12.019 -0.595 272 2HG2 ILE 37 2HG2 ILE 37 -1.847 -10.779 0.493 273 3HG2 ILE 37 3HG2 ILE 37 -0.722 -11.895 -0.299 274 1HD1 ILE 37 1HD1 ILE 37 -0.975 -8.331 0.233 275 2HD1 ILE 37 2HD1 ILE 37 0.742 -8.121 -0.151 276 3HD1 ILE 37 3HD1 ILE 37 0.193 -9.619 0.612 277 H ALA 38 H ALA 38 0.396 -10.287 -4.415 278 HA ALA 38 HA ALA 38 -0.301 -7.928 -5.410 279 1HB ALA 38 1HB ALA 38 1.086 -10.087 -7.055 280 2HB ALA 38 2HB ALA 38 1.837 -8.965 -5.905 281 3HB ALA 38 3HB ALA 38 1.092 -8.351 -7.383 282 HA PRO 39 HA PRO 39 -2.754 -9.432 -9.270 283 1HB PRO 39 1HB PRO 39 -4.086 -11.936 -8.313 284 2HB PRO 39 2HB PRO 39 -3.377 -11.590 -9.913 285 1HG PRO 39 1HG PRO 39 -2.119 -13.261 -8.154 286 2HG PRO 39 2HG PRO 39 -1.175 -12.083 -9.120 287 1HD PRO 39 1HD PRO 39 -2.222 -11.737 -6.291 288 2HD PRO 39 2HD PRO 39 -0.549 -11.542 -6.873 289 H VAL 40 H VAL 40 -3.744 -10.281 -5.988 290 HA VAL 40 HA VAL 40 -6.520 -9.535 -6.301 291 HB VAL 40 HB VAL 40 -5.065 -9.894 -3.657 292 1HG1 VAL 40 1HG1 VAL 40 -7.864 -10.609 -4.620 293 2HG1 VAL 40 2HG1 VAL 40 -7.443 -9.139 -3.716 294 3HG1 VAL 40 3HG1 VAL 40 -7.248 -10.740 -2.963 295 1HG2 VAL 40 1HG2 VAL 40 -4.385 -11.892 -4.919 296 2HG2 VAL 40 2HG2 VAL 40 -6.043 -12.105 -5.522 297 3HG2 VAL 40 3HG2 VAL 40 -5.673 -12.329 -3.802 298 H VAL 41 H VAL 41 -3.537 -8.128 -4.921 299 HA VAL 41 HA VAL 41 -4.604 -5.671 -3.950 300 HB VAL 41 HB VAL 41 -1.900 -6.234 -5.253 301 1HG1 VAL 41 1HG1 VAL 41 -2.419 -7.647 -3.185 302 2HG1 VAL 41 2HG1 VAL 41 -1.025 -6.569 -3.034 303 3HG1 VAL 41 3HG1 VAL 41 -2.570 -6.134 -2.288 304 1HG2 VAL 41 1HG2 VAL 41 -2.555 -4.009 -3.293 305 2HG2 VAL 41 2HG2 VAL 41 -2.325 -3.794 -5.043 306 3HG2 VAL 41 3HG2 VAL 41 -0.993 -4.349 -4.038 307 H ASP 42 HN ASP 42 -3.266 -6.504 -7.188 308 HA ASP 42 HA ASP 42 -3.935 -4.049 -8.441 309 1HB ASP 42 1HB ASP 42 -3.607 -6.867 -9.534 310 2HB ASP 42 2HB ASP 42 -3.793 -5.447 -10.575 311 H GLU 43 HN GLU 43 -5.887 -7.136 -8.403 312 HA GLU 43 HA GLU 43 -7.901 -6.005 -10.029 313 1HB GLU 43 1HB GLU 43 -9.111 -7.833 -9.693 314 2HB GLU 43 2HB GLU 43 -7.547 -8.494 -9.220 315 1HG GLU 43 2HG GLU 43 -8.247 -8.080 -6.799 316 2HG GLU 43 1HG GLU 43 -9.840 -7.587 -7.393 317 H ILE 44 H ILE 44 -7.522 -5.967 -6.450 318 HA ILE 44 HA ILE 44 -9.968 -4.618 -5.891 319 HB ILE 44 HB ILE 44 -7.295 -4.759 -4.445 320 1HG1 ILE 44 2HG1 ILE 44 -10.057 -5.986 -3.950 321 2HG1 ILE 44 1HG1 ILE 44 -8.763 -6.832 -4.768 322 1HG2 ILE 44 1HG2 ILE 44 -8.470 -3.841 -2.468 323 2HG2 ILE 44 2HG2 ILE 44 -8.437 -2.652 -3.762 324 3HG2 ILE 44 3HG2 ILE 44 -9.922 -3.590 -3.463 325 1HD1 ILE 44 1HD1 ILE 44 -8.720 -5.946 -1.868 326 2HD1 ILE 44 2HD1 ILE 44 -7.331 -6.633 -2.757 327 3HD1 ILE 44 3HD1 ILE 44 -8.814 -7.585 -2.522 328 H ALA 45 H ALA 45 -6.741 -3.335 -6.812 329 HA ALA 45 HA ALA 45 -7.430 -0.572 -6.658 330 1HB ALA 45 1HB ALA 45 -5.576 -0.188 -8.056 331 2HB ALA 45 2HB ALA 45 -5.151 -1.721 -7.248 332 3HB ALA 45 3HB ALA 45 -5.754 -1.726 -8.907 333 H GLY 46 H GLY 46 -7.763 -2.980 -9.301 334 1HA GLY 46 2HA GLY 46 -9.045 -1.435 -11.257 335 2HA GLY 46 1HA GLY 46 -9.269 -3.178 -11.004 336 H GLU 47 HN GLU 47 -10.556 -3.231 -8.453 337 HA GLU 47 HA GLU 47 -13.214 -2.646 -9.131 338 1HB GLU 47 1HB GLU 47 -12.009 -2.925 -6.339 339 2HB GLU 47 2HB GLU 47 -13.701 -3.071 -6.776 340 1HG GLU 47 2HG GLU 47 -11.484 -4.969 -7.646 341 2HG GLU 47 1HG GLU 47 -12.684 -5.262 -6.418 342 H TYR 48 H TYR 48 -11.014 -0.820 -6.963 343 HA TYR 48 HA TYR 48 -13.074 1.316 -6.789 344 1HB TYR 48 2HB TYR 48 -10.298 1.489 -5.561 345 2HB TYR 48 1HB TYR 48 -11.753 2.435 -5.281 346 HD1 TYR 48 HD1 TYR 48 -13.703 1.579 -4.202 347 HD2 TYR 48 HD2 TYR 48 -9.905 -0.317 -4.218 348 HE1 TYR 48 HE1 TYR 48 -14.532 -0.018 -2.426 349 HE2 TYR 48 HE2 TYR 48 -10.629 -1.812 -2.300 350 HH TYR 48 HH TYR 48 -13.945 -1.788 -1.005 351 H LYS 49 HN LYS 49 -12.666 1.084 -9.257 352 HA LYS 49 HA LYS 49 -10.746 2.849 -10.473 353 1HB LYS 49 2HB LYS 49 -11.856 1.053 -11.731 354 2HB LYS 49 1HB LYS 49 -13.452 1.711 -11.325 355 1HG LYS 49 2HG LYS 49 -13.043 3.665 -12.756 356 2HG LYS 49 1HG LYS 49 -11.369 3.170 -13.008 357 1HD LYS 49 1HD LYS 49 -12.842 2.634 -14.943 358 2HD LYS 49 2HD LYS 49 -12.050 1.207 -14.264 359 1HE LYS 49 2HE LYS 49 -14.442 0.818 -14.861 360 2HE LYS 49 1HE LYS 49 -14.096 0.491 -13.162 361 1HZ LYS 49 1HZ LYS 49 -15.306 2.955 -14.215 362 2HZ LYS 49 2HZ LYS 49 -16.108 1.737 -13.448 363 3HZ LYS 49 3HZ LYS 49 -15.002 2.639 -12.626 364 H ASP 50 HN ASP 50 -13.728 3.191 -8.721 365 HA ASP 50 HA ASP 50 -14.386 5.920 -9.353 366 1HB ASP 50 1HB ASP 50 -14.748 4.232 -6.816 367 2HB ASP 50 2HB ASP 50 -15.476 5.831 -7.094 368 H LYS 51 HN LYS 51 -13.160 5.032 -6.144 369 HA LYS 51 HA LYS 51 -10.546 5.598 -6.658 370 1HB LYS 51 1HB LYS 51 -11.772 7.751 -4.842 371 2HB LYS 51 2HB LYS 51 -10.079 7.476 -5.057 372 1HG LYS 51 2HG LYS 51 -11.712 8.510 -7.375 373 2HG LYS 51 1HG LYS 51 -10.900 9.492 -6.234 374 1HD LYS 51 1HD LYS 51 -9.665 8.938 -8.428 375 2HD LYS 51 2HD LYS 51 -8.770 8.991 -6.914 376 1HE LYS 51 2HE LYS 51 -8.675 6.522 -6.811 377 2HE LYS 51 1HE LYS 51 -9.622 6.412 -8.319 378 1HZ LYS 51 1HZ LYS 51 -7.322 6.198 -8.703 379 2HZ LYS 51 2HZ LYS 51 -7.002 7.671 -8.037 380 3HZ LYS 51 3HZ LYS 51 -7.886 7.566 -9.426 381 H LEU 52 H LEU 52 -9.856 3.880 -5.590 382 HA LEU 52 HA LEU 52 -9.538 4.774 -2.830 383 1HB LEU 52 1HB LEU 52 -11.653 3.205 -2.847 384 2HB LEU 52 2HB LEU 52 -10.423 1.921 -2.991 385 HG LEU 52 HG LEU 52 -9.653 2.298 -0.828 386 1HD1 LEU 52 1HD1 LEU 52 -10.437 4.120 0.630 387 2HD1 LEU 52 2HD1 LEU 52 -11.095 4.934 -0.826 388 3HD1 LEU 52 3HD1 LEU 52 -9.353 4.655 -0.642 389 1HD2 LEU 52 1HD2 LEU 52 -11.759 1.135 -0.924 390 2HD2 LEU 52 2HD2 LEU 52 -12.650 2.664 -0.815 391 3HD2 LEU 52 3HD2 LEU 52 -11.659 2.102 0.551 392 H LYS 53 HN LYS 53 -8.281 3.430 -1.640 393 HA LYS 53 HA LYS 53 -6.024 3.692 -2.079 394 1HB LYS 53 1HB LYS 53 -5.979 2.682 0.378 395 2HB LYS 53 2HB LYS 53 -7.501 3.392 0.057 396 1HG LYS 53 2HG LYS 53 -6.729 0.695 0.720 397 2HG LYS 53 1HG LYS 53 -8.286 1.475 0.861 398 1HD LYS 53 2HD LYS 53 -9.175 0.236 -0.775 399 2HD LYS 53 1HD LYS 53 -7.842 0.440 -1.894 400 1HE LYS 53 2HE LYS 53 -7.680 -1.425 0.516 401 2HE LYS 53 1HE LYS 53 -8.396 -1.910 -1.023 402 1HZ LYS 53 1HZ LYS 53 -6.353 -1.524 -2.088 403 2HZ LYS 53 2HZ LYS 53 -6.067 -2.486 -0.783 404 3HZ LYS 53 3HZ LYS 53 -5.673 -0.880 -0.742 405 H CYS 54 H CYS 54 -5.337 2.183 -4.098 406 HA CYS 54 HA CYS 54 -3.760 -0.044 -2.773 407 1HB CYS 54 1HB CYS 54 -6.052 -0.469 -4.086 408 2HB CYS 54 2HB CYS 54 -4.967 -0.399 -5.508 409 HG CYS 54 HG CYS 54 -5.419 -2.842 -4.734 410 H VAL 55 H VAL 55 -1.858 0.286 -2.694 411 HA VAL 55 HA VAL 55 -0.350 0.943 -5.104 412 HB VAL 55 HB VAL 55 -0.038 2.395 -2.427 413 1HG1 VAL 55 1HG1 VAL 55 -0.990 4.439 -3.436 414 2HG1 VAL 55 2HG1 VAL 55 -2.179 3.159 -3.190 415 3HG1 VAL 55 3HG1 VAL 55 -1.540 3.481 -4.829 416 1HG2 VAL 55 1HG2 VAL 55 0.843 3.132 -5.215 417 2HG2 VAL 55 2HG2 VAL 55 1.248 3.999 -3.712 418 3HG2 VAL 55 3HG2 VAL 55 1.902 2.386 -3.986 419 H LYS 56 HN LYS 56 1.979 0.526 -4.653 420 HA LYS 56 HA LYS 56 2.570 -1.024 -2.260 421 1HB LYS 56 2HB LYS 56 3.134 -3.063 -3.530 422 2HB LYS 56 1HB LYS 56 1.445 -2.607 -3.655 423 1HG LYS 56 2HG LYS 56 1.829 -1.580 -5.860 424 2HG LYS 56 1HG LYS 56 3.518 -2.108 -5.835 425 1HD LYS 56 2HD LYS 56 2.965 -4.383 -5.994 426 2HD LYS 56 1HD LYS 56 1.309 -4.130 -5.411 427 1HE LYS 56 1HE LYS 56 0.769 -2.802 -7.458 428 2HE LYS 56 2HE LYS 56 2.388 -3.096 -8.079 429 1HZ LYS 56 1HZ LYS 56 1.877 -5.437 -8.123 430 2HZ LYS 56 2HZ LYS 56 0.724 -4.604 -8.960 431 3HZ LYS 56 3HZ LYS 56 0.390 -5.172 -7.461 432 H LEU 57 H LEU 57 4.562 -0.584 -1.605 433 HA LEU 57 HA LEU 57 6.307 1.053 -3.375 434 1HB LEU 57 1HB LEU 57 5.776 2.037 -1.322 435 2HB LEU 57 2HB LEU 57 6.230 0.599 -0.377 436 HG LEU 57 HG LEU 57 7.680 2.536 -0.153 437 1HD1 LEU 57 1HD1 LEU 57 9.126 3.309 -1.856 438 2HD1 LEU 57 2HD1 LEU 57 7.534 3.285 -2.573 439 3HD1 LEU 57 3HD1 LEU 57 8.678 1.984 -2.960 440 1HD2 LEU 57 1HD2 LEU 57 9.311 0.317 -1.357 441 2HD2 LEU 57 2HD2 LEU 57 9.667 1.347 0.036 442 3HD2 LEU 57 3HD2 LEU 57 8.423 0.088 0.140 443 H ASN 58 H ASN 58 7.915 0.169 -4.476 444 HA ASN 58 HA ASN 58 8.717 -2.598 -3.937 445 1HB ASN 58 1HB ASN 58 8.708 -1.662 -6.225 446 2HB ASN 58 2HB ASN 58 10.023 -0.572 -5.780 447 1HD2 ASN 58 2HD2 ASN 58 9.401 -3.564 -7.180 448 2HD2 ASN 58 1HD2 ASN 58 10.969 -4.300 -6.901 449 H THR 59 H THR 59 9.801 -3.001 -2.172 450 HA THR 59 HA THR 59 11.236 -1.031 -0.635 451 HB THR 59 HB THR 59 11.216 -4.064 -0.338 452 HG1 THR 59 HG1 THR 59 9.116 -3.384 -0.457 453 1HG2 THR 59 1HG2 THR 59 11.512 -1.801 1.685 454 2HG2 THR 59 2HG2 THR 59 12.802 -2.914 1.172 455 3HG2 THR 59 3HG2 THR 59 11.407 -3.531 2.074 456 H ASP 60 HN ASP 60 12.165 -3.417 -3.020 457 HA ASP 60 HA ASP 60 14.947 -3.670 -2.293 458 1HB ASP 60 1HB ASP 60 13.276 -5.152 -3.712 459 2HB ASP 60 2HB ASP 60 13.781 -4.135 -5.060 460 H GLU 61 HN GLU 61 13.024 -1.742 -4.489 461 HA GLU 61 HA GLU 61 15.217 -0.160 -5.582 462 1HB GLU 61 2HB GLU 61 13.049 -1.007 -6.738 463 2HB GLU 61 1HB GLU 61 12.217 0.263 -5.827 464 1HG GLU 61 1HG GLU 61 12.647 1.125 -7.977 465 2HG GLU 61 2HG GLU 61 13.830 1.926 -6.946 466 H SER 62 H SER 62 12.832 0.136 -3.011 467 HA SER 62 HA SER 62 13.741 2.913 -2.370 468 1HB SER 62 2HB SER 62 11.444 2.707 -3.304 469 2HB SER 62 1HB SER 62 10.975 1.731 -1.907 470 HG SER 62 HG SER 62 11.570 3.403 -0.564 471 HA PRO 63 HA PRO 63 14.432 0.012 1.322 472 1HB PRO 63 1HB PRO 63 17.134 0.333 1.552 473 2HB PRO 63 2HB PRO 63 16.415 -0.892 0.462 474 1HG PRO 63 2HG PRO 63 17.356 1.903 -0.289 475 2HG PRO 63 1HG PRO 63 17.781 0.376 -1.078 476 1HD PRO 63 1HD PRO 63 15.783 1.882 -2.066 477 2HD PRO 63 2HD PRO 63 15.590 0.111 -1.999 478 H ASN 64 H ASN 64 15.643 3.039 0.084 479 HA ASN 64 HA ASN 64 16.337 4.659 2.151 480 1HB ASN 64 2HB ASN 64 14.477 5.239 -0.200 481 2HB ASN 64 1HB ASN 64 15.041 6.485 0.915 482 1HD2 ASN 64 1HD2 ASN 64 15.770 7.203 -1.412 483 2HD2 ASN 64 2HD2 ASN 64 17.414 6.722 -1.840 484 H VAL 65 H VAL 65 12.959 4.843 1.087 485 HA VAL 65 HA VAL 65 11.910 6.138 3.319 486 HB VAL 65 HB VAL 65 10.629 4.181 1.344 487 1HG1 VAL 65 1HG2 VAL 65 9.173 4.425 3.275 488 2HG1 VAL 65 2HG2 VAL 65 9.327 6.195 3.205 489 3HG1 VAL 65 3HG2 VAL 65 8.510 5.296 1.895 490 1HG2 VAL 65 1HG1 VAL 65 9.872 6.309 0.255 491 2HG2 VAL 65 2HG1 VAL 65 10.903 7.219 1.377 492 3HG2 VAL 65 3HG1 VAL 65 11.629 6.091 0.212 493 H ALA 66 H ALA 66 12.053 2.714 2.583 494 HA ALA 66 HA ALA 66 10.700 1.689 4.854 495 1HB ALA 66 1HB ALA 66 11.315 0.349 2.847 496 2HB ALA 66 2HB ALA 66 13.016 0.377 3.354 497 3HB ALA 66 3HB ALA 66 11.811 -0.437 4.359 498 H SER 67 H SER 67 14.145 2.584 4.465 499 HA SER 67 HA SER 67 14.920 1.712 7.113 500 1HB SER 67 2HB SER 67 16.306 3.660 5.215 501 2HB SER 67 1HB SER 67 17.014 2.861 6.629 502 HG SER 67 HG SER 67 15.977 1.585 4.306 503 H GLU 68 HN GLU 68 14.011 4.825 5.640 504 HA GLU 68 HA GLU 68 14.479 6.491 7.899 505 1HB GLU 68 1HB GLU 68 12.366 6.689 5.698 506 2HB GLU 68 2HB GLU 68 12.663 7.942 6.897 507 1HG GLU 68 2HG GLU 68 14.770 6.919 4.935 508 2HG GLU 68 1HG GLU 68 13.812 8.388 4.732 509 H TYR 69 H TYR 69 11.580 4.585 7.005 510 HA TYR 69 HA TYR 69 10.194 5.317 9.478 511 1HB TYR 69 2HB TYR 69 9.733 3.234 7.314 512 2HB TYR 69 1HB TYR 69 8.732 3.328 8.749 513 HD1 TYR 69 HD1 TYR 69 8.620 4.122 5.450 514 HD2 TYR 69 HD2 TYR 69 7.988 5.981 9.282 515 HE1 TYR 69 HE1 TYR 69 7.092 5.797 4.403 516 HE2 TYR 69 HE2 TYR 69 6.475 7.635 8.238 517 HH TYR 69 HH TYR 69 5.568 8.408 6.271 518 H GLY 70 H GLY 70 12.170 2.555 8.396 519 1HA GLY 70 2HA GLY 70 13.601 1.349 9.822 520 2HA GLY 70 1HA GLY 70 12.642 1.800 11.235 521 H ILE 71 H ILE 71 11.739 0.374 8.070 522 HA ILE 71 HA ILE 71 9.974 -1.571 9.318 523 HB ILE 71 HB ILE 71 10.891 -1.059 6.461 524 1HG1 ILE 71 2HG1 ILE 71 8.324 -0.482 8.029 525 2HG1 ILE 71 1HG1 ILE 71 9.525 0.705 7.518 526 1HG2 ILE 71 1HG2 ILE 71 8.813 -3.039 7.494 527 2HG2 ILE 71 2HG2 ILE 71 10.330 -3.423 6.650 528 3HG2 ILE 71 3HG2 ILE 71 9.046 -2.605 5.785 529 1HD1 ILE 71 1HD1 ILE 71 7.732 0.880 6.007 530 2HD1 ILE 71 2HD1 ILE 71 9.073 0.087 5.143 531 3HD1 ILE 71 3HD1 ILE 71 7.676 -0.860 5.694 532 H ARG 72 HN ARG 72 10.444 -3.588 9.942 533 HA ARG 72 HA ARG 72 13.196 -4.444 9.941 534 1HB ARG 72 1HB ARG 72 11.624 -4.736 11.839 535 2HB ARG 72 2HB ARG 72 10.647 -5.843 10.873 536 1HG ARG 72 2HG ARG 72 12.124 -7.005 12.484 537 2HG ARG 72 1HG ARG 72 12.427 -7.496 10.816 538 1HD ARG 72 1HD ARG 72 14.506 -7.170 12.166 539 2HD ARG 72 2HD ARG 72 14.443 -6.181 10.703 540 HE ARG 72 HE ARG 72 13.395 -4.839 13.077 541 1HH1 ARG 72 1HH1 ARG 72 16.373 -5.607 11.340 542 2HH1 ARG 72 2HH1 ARG 72 17.240 -4.210 11.918 543 1HH2 ARG 72 2HH2 ARG 72 14.505 -3.006 13.832 544 2HH2 ARG 72 1HH2 ARG 72 16.161 -2.716 13.379 545 H SER 73 H SER 73 10.261 -5.458 8.129 546 HA SER 73 HA SER 73 11.798 -6.687 6.086 547 1HB SER 73 1HB SER 73 11.936 -8.551 7.763 548 2HB SER 73 2HB SER 73 10.159 -8.603 7.816 549 HG SER 73 HG SER 73 11.084 -10.124 6.332 550 H ILE 74 H ILE 74 9.851 -8.191 4.935 551 HA ILE 74 HA ILE 74 7.480 -6.418 4.732 552 HB ILE 74 HB ILE 74 7.650 -6.678 2.203 553 1HG1 ILE 74 1HG1 ILE 74 10.557 -7.288 2.722 554 2HG1 ILE 74 2HG1 ILE 74 9.353 -8.491 2.214 555 1HG2 ILE 74 1HG2 ILE 74 9.868 -5.069 3.554 556 2HG2 ILE 74 2HG2 ILE 74 9.034 -4.691 2.036 557 3HG2 ILE 74 3HG2 ILE 74 8.159 -4.593 3.558 558 1HD1 ILE 74 1HD1 ILE 74 10.209 -6.014 0.664 559 2HD1 ILE 74 2HD1 ILE 74 10.427 -7.707 0.220 560 3HD1 ILE 74 3HD1 ILE 74 8.804 -7.018 0.236 561 HA PRO 75 HA PRO 75 5.530 -6.754 2.800 562 1HB PRO 75 2HB PRO 75 2.964 -7.273 3.511 563 2HB PRO 75 1HB PRO 75 3.789 -8.103 2.176 564 1HG PRO 75 1HG PRO 75 3.476 -9.065 5.049 565 2HG PRO 75 2HG PRO 75 3.104 -9.984 3.561 566 1HD PRO 75 1HD PRO 75 5.463 -10.279 4.875 567 2HD PRO 75 2HD PRO 75 5.414 -10.301 3.096 568 H THR 76 H THR 76 4.348 -4.919 3.646 569 HA THR 76 HA THR 76 3.766 -4.656 6.397 570 HB THR 76 HB THR 76 6.480 -3.589 5.474 571 HG1 THR 76 HG1 THR 76 6.140 -5.507 6.837 572 1HG2 THR 76 1HG2 THR 76 6.583 -2.131 7.481 573 2HG2 THR 76 2HG2 THR 76 5.393 -1.535 6.315 574 3HG2 THR 76 3HG2 THR 76 4.869 -2.412 7.777 575 H ILE 77 H ILE 77 2.341 -3.360 6.391 576 HA ILE 77 HA ILE 77 0.934 -2.179 5.118 577 HB ILE 77 HB ILE 77 0.389 -1.625 7.940 578 1HG1 ILE 77 1HG1 ILE 77 3.197 -0.667 7.589 579 2HG1 ILE 77 2HG1 ILE 77 1.777 0.177 8.197 580 1HG2 ILE 77 1HG2 ILE 77 1.363 -3.123 9.345 581 2HG2 ILE 77 2HG2 ILE 77 2.805 -3.345 8.348 582 3HG2 ILE 77 3HG2 ILE 77 1.282 -4.041 7.877 583 1HD1 ILE 77 1HD1 ILE 77 1.956 -1.123 10.325 584 2HD1 ILE 77 2HD1 ILE 77 3.496 -1.775 9.730 585 3HD1 ILE 77 3HD1 ILE 77 3.295 -0.042 9.946 586 H MET 78 H MET 78 2.148 0.520 4.455 587 HA MET 78 HA MET 78 0.849 1.957 6.783 588 1HB MET 78 1HB MET 78 2.886 3.027 4.822 589 2HB MET 78 2HB MET 78 2.012 3.999 6.016 590 1HG MET 78 1HG MET 78 2.895 2.604 7.836 591 2HG MET 78 2HG MET 78 3.764 1.600 6.691 592 1HE MET 78 1HE MET 78 6.092 1.957 8.096 593 2HE MET 78 2HE MET 78 4.907 2.671 9.220 594 3HE MET 78 3HE MET 78 6.403 3.542 8.847 595 H VAL 79 H VAL 79 -1.067 2.925 6.535 596 HA VAL 79 HA VAL 79 -2.048 3.354 3.773 597 HB VAL 79 HB VAL 79 -3.652 3.359 6.339 598 1HG1 VAL 79 1HG1 VAL 79 -3.243 1.098 4.357 599 2HG1 VAL 79 2HG1 VAL 79 -4.532 1.134 5.570 600 3HG1 VAL 79 3HG1 VAL 79 -2.835 1.077 6.082 601 1HG2 VAL 79 1HG2 VAL 79 -5.613 3.135 4.851 602 2HG2 VAL 79 2HG2 VAL 79 -4.558 3.178 3.432 603 3HG2 VAL 79 3HG2 VAL 79 -4.717 4.604 4.474 604 H PHE 80 H PHE 80 -2.551 5.429 3.160 605 HA PHE 80 HA PHE 80 -2.160 7.614 5.151 606 1HB PHE 80 1HB PHE 80 -1.194 7.530 2.259 607 2HB PHE 80 2HB PHE 80 -1.018 8.882 3.360 608 HD1 PHE 80 HD1 PHE 80 1.040 9.129 4.498 609 HD2 PHE 80 HD2 PHE 80 -0.026 5.285 2.866 610 HE1 PHE 80 HE1 PHE 80 3.226 8.212 5.215 611 HE2 PHE 80 HE2 PHE 80 2.233 4.476 3.338 612 HZ PHE 80 HZ PHE 80 3.849 5.875 4.622 613 H LYS 81 HN LYS 81 -3.162 9.627 4.505 614 HA LYS 81 HA LYS 81 -4.753 9.991 2.233 615 1HB LYS 81 2HB LYS 81 -6.955 10.009 2.979 616 2HB LYS 81 1HB LYS 81 -6.374 8.437 3.481 617 1HG LYS 81 2HG LYS 81 -6.619 10.814 5.370 618 2HG LYS 81 1HG LYS 81 -7.899 9.667 5.066 619 1HD LYS 81 2HD LYS 81 -5.151 8.980 6.177 620 2HD LYS 81 1HD LYS 81 -6.626 9.187 7.116 621 1HE LYS 81 1HE LYS 81 -6.074 6.957 5.097 622 2HE LYS 81 2HE LYS 81 -6.262 6.812 6.843 623 1HZ LYS 81 1HZ LYS 81 -8.225 6.152 5.761 624 2HZ LYS 81 2HZ LYS 81 -8.517 7.512 6.641 625 3HZ LYS 81 3HZ LYS 81 -8.382 7.603 5.000 626 H GLY 82 H GLY 82 -5.867 12.223 2.510 627 1HA GLY 82 2HA GLY 82 -5.700 14.433 3.152 628 2HA GLY 82 1HA GLY 82 -5.612 13.788 4.811 629 H GLY 83 H GLY 83 -3.241 13.138 2.249 630 1HA GLY 83 2HA GLY 83 -1.068 13.729 1.980 631 2HA GLY 83 1HA GLY 83 -1.343 15.137 2.996 632 H LYS 84 HN LYS 84 -2.067 12.182 4.748 633 HA LYS 84 HA LYS 84 0.712 11.845 5.662 634 1HB LYS 84 2HB LYS 84 -1.550 12.915 7.400 635 2HB LYS 84 1HB LYS 84 -0.161 12.113 8.110 636 1HG LYS 84 2HG LYS 84 -0.012 14.668 6.481 637 2HG LYS 84 1HG LYS 84 0.053 14.515 8.233 638 1HD LYS 84 2HD LYS 84 2.117 13.072 8.019 639 2HD LYS 84 1HD LYS 84 2.117 13.389 6.273 640 1HE LYS 84 1HE LYS 84 2.265 15.819 6.686 641 2HE LYS 84 2HE LYS 84 2.294 15.526 8.437 642 1HZ LYS 84 1HZ LYS 84 4.311 14.284 8.129 643 2HZ LYS 84 2HZ LYS 84 4.282 14.562 6.504 644 3HZ LYS 84 3HZ LYS 84 4.477 15.818 7.551 645 H LYS 85 HN LYS 85 0.845 10.327 7.431 646 HA LYS 85 HA LYS 85 -0.129 7.730 6.652 647 1HB LYS 85 2HB LYS 85 2.123 8.012 7.526 648 2HB LYS 85 1HB LYS 85 1.522 8.905 8.924 649 1HG LYS 85 1HG LYS 85 2.244 6.795 9.674 650 2HG LYS 85 2HG LYS 85 0.496 6.848 9.843 651 1HD LYS 85 2HD LYS 85 0.463 5.617 7.507 652 2HD LYS 85 1HD LYS 85 2.188 5.366 7.798 653 1HE LYS 85 2HE LYS 85 -0.102 4.496 9.643 654 2HE LYS 85 1HE LYS 85 0.789 3.440 8.550 655 1HZ LYS 85 1HZ LYS 85 2.781 3.943 9.788 656 2HZ LYS 85 2HZ LYS 85 1.620 3.283 10.759 657 3HZ LYS 85 3HZ LYS 85 1.927 4.899 10.825 658 H CYS 86 H CYS 86 -1.567 6.355 7.811 659 HA CYS 86 HA CYS 86 -2.827 7.346 10.300 660 1HB CYS 86 2HB CYS 86 -4.177 7.249 7.631 661 2HB CYS 86 1HB CYS 86 -5.091 6.622 9.023 662 HG CYS 86 HG CYS 86 -3.550 9.514 8.971 663 H GLU 87 HN GLU 87 -3.775 4.747 7.937 664 HA GLU 87 HA GLU 87 -3.953 2.966 10.297 665 1HB GLU 87 2HB GLU 87 -4.829 1.992 7.632 666 2HB GLU 87 1HB GLU 87 -5.560 1.802 9.205 667 1HG GLU 87 2HG GLU 87 -5.699 4.338 7.483 668 2HG GLU 87 1HG GLU 87 -6.929 3.115 7.634 669 H THR 88 H THR 88 -3.461 0.567 9.759 670 HA THR 88 HA THR 88 -0.849 0.291 8.332 671 HB THR 88 HB THR 88 -0.221 -1.055 10.404 672 HG1 THR 88 HG1 THR 88 -2.397 -1.174 11.159 673 1HG2 THR 88 1HG2 THR 88 0.443 0.888 11.721 674 2HG2 THR 88 2HG2 THR 88 0.616 1.295 10.002 675 3HG2 THR 88 3HG2 THR 88 -0.768 1.911 10.933 676 H ILE 89 H ILE 89 -1.265 -1.450 6.839 677 HA ILE 89 HA ILE 89 -2.786 -3.869 7.797 678 HB ILE 89 HB ILE 89 -2.551 -2.436 5.161 679 1HG1 ILE 89 2HG1 ILE 89 -5.038 -3.575 6.557 680 2HG1 ILE 89 1HG1 ILE 89 -4.366 -2.044 7.110 681 1HG2 ILE 89 1HG2 ILE 89 -3.477 -5.295 5.650 682 2HG2 ILE 89 2HG2 ILE 89 -2.247 -4.734 4.496 683 3HG2 ILE 89 3HG2 ILE 89 -3.939 -4.357 4.212 684 1HD1 ILE 89 1HD1 ILE 89 -6.214 -1.705 5.546 685 2HD1 ILE 89 2HD1 ILE 89 -4.690 -1.000 4.987 686 3HD1 ILE 89 3HD1 ILE 89 -5.276 -2.503 4.265 687 H ILE 90 H ILE 90 -1.575 -5.725 8.015 688 HA ILE 90 HA ILE 90 1.165 -5.882 6.779 689 HB ILE 90 HB ILE 90 -0.384 -7.792 8.598 690 1HG1 ILE 90 2HG1 ILE 90 1.920 -5.906 9.294 691 2HG1 ILE 90 1HG1 ILE 90 0.220 -5.570 9.660 692 1HG2 ILE 90 1HG2 ILE 90 2.538 -7.766 7.685 693 2HG2 ILE 90 2HG2 ILE 90 1.873 -8.853 8.919 694 3HG2 ILE 90 3HG2 ILE 90 1.315 -8.990 7.272 695 1HD1 ILE 90 1HD1 ILE 90 1.893 -7.803 10.842 696 2HD1 ILE 90 2HD1 ILE 90 0.124 -7.675 11.015 697 3HD1 ILE 90 3HD1 ILE 90 1.184 -6.400 11.644 698 H GLY 91 H GLY 91 1.599 -7.705 5.307 699 1HA GLY 91 2HA GLY 91 -0.600 -8.283 3.450 700 2HA GLY 91 1HA GLY 91 1.070 -8.844 3.335 701 H ALA 92 H ALA 92 0.181 -11.027 2.847 702 HA ALA 92 HA ALA 92 -0.351 -13.148 3.333 703 1HB ALA 92 1HB ALA 92 1.482 -12.802 4.993 704 2HB ALA 92 2HB ALA 92 0.309 -14.042 5.471 705 3HB ALA 92 3HB ALA 92 0.265 -12.449 6.239 706 H VAL 93 H VAL 93 -2.302 -10.768 5.004 707 HA VAL 93 HA VAL 93 -4.256 -12.581 6.041 708 HB VAL 93 HB VAL 93 -5.552 -10.163 5.307 709 1HG1 VAL 93 1HG1 VAL 93 -4.234 -8.434 6.404 710 2HG1 VAL 93 2HG1 VAL 93 -3.307 -9.099 5.057 711 3HG1 VAL 93 3HG1 VAL 93 -2.924 -9.578 6.733 712 1HG2 VAL 93 1HG2 VAL 93 -4.612 -11.064 7.992 713 2HG2 VAL 93 2HG2 VAL 93 -5.784 -9.766 7.625 714 3HG2 VAL 93 3HG2 VAL 93 -6.164 -11.437 7.196 715 HA PRO 94 HA PRO 94 -6.531 -13.143 2.163 716 1HB PRO 94 1HB PRO 94 -9.086 -13.296 3.567 717 2HB PRO 94 2HB PRO 94 -8.264 -14.556 2.617 718 1HG PRO 94 2HG PRO 94 -8.442 -14.740 5.394 719 2HG PRO 94 1HG PRO 94 -7.013 -15.321 4.488 720 1HD PRO 94 2HD PRO 94 -7.391 -12.644 5.829 721 2HD PRO 94 1HD PRO 94 -6.005 -13.730 6.005 722 H LYS 95 HN LYS 95 -7.346 -11.556 0.919 723 HA LYS 95 HA LYS 95 -7.232 -8.982 1.948 724 1HB LYS 95 2HB LYS 95 -8.104 -10.202 -0.696 725 2HB LYS 95 1HB LYS 95 -8.506 -8.512 -0.438 726 1HG LYS 95 2HG LYS 95 -5.677 -9.595 -0.074 727 2HG LYS 95 1HG LYS 95 -6.288 -8.972 -1.614 728 1HD LYS 95 2HD LYS 95 -6.875 -6.796 -0.477 729 2HD LYS 95 1HD LYS 95 -6.049 -7.367 0.962 730 1HE LYS 95 1HE LYS 95 -4.754 -7.112 -1.778 731 2HE LYS 95 2HE LYS 95 -4.636 -5.908 -0.483 732 1HZ LYS 95 1HZ LYS 95 -3.706 -8.682 -0.284 733 2HZ LYS 95 2HZ LYS 95 -2.752 -7.357 -0.503 734 3HZ LYS 95 3HZ LYS 95 -3.599 -7.540 0.898 735 H ALA 96 H ALA 96 -10.128 -10.941 1.589 736 HA ALA 96 HA ALA 96 -12.155 -9.028 1.782 737 1HB ALA 96 1HB ALA 96 -12.566 -11.463 1.709 738 2HB ALA 96 2HB ALA 96 -13.417 -10.718 3.078 739 3HB ALA 96 3HB ALA 96 -11.920 -11.634 3.358 740 H THR 97 H THR 97 -9.897 -10.121 4.306 741 HA THR 97 HA THR 97 -11.027 -8.814 6.560 742 HB THR 97 HB THR 97 -8.055 -9.313 6.036 743 HG1 THR 97 HG1 THR 97 -8.852 -11.186 5.462 744 1HG2 THR 97 1HG2 THR 97 -8.590 -8.296 8.216 745 2HG2 THR 97 2HG2 THR 97 -9.771 -9.596 8.538 746 3HG2 THR 97 3HG2 THR 97 -8.046 -9.974 8.407 747 H ILE 98 H ILE 98 -8.549 -7.883 4.187 748 HA ILE 98 HA ILE 98 -7.867 -5.317 5.285 749 HB ILE 98 HB ILE 98 -7.398 -6.799 2.670 750 1HG1 ILE 98 2HG1 ILE 98 -5.599 -5.742 4.876 751 2HG1 ILE 98 1HG1 ILE 98 -6.221 -7.383 4.822 752 1HG2 ILE 98 1HG2 ILE 98 -5.906 -4.858 2.004 753 2HG2 ILE 98 2HG2 ILE 98 -6.647 -3.925 3.317 754 3HG2 ILE 98 3HG2 ILE 98 -7.617 -4.489 1.948 755 1HD1 ILE 98 1HD1 ILE 98 -4.412 -6.272 2.638 756 2HD1 ILE 98 2HD1 ILE 98 -3.879 -7.196 4.032 757 3HD1 ILE 98 3HD1 ILE 98 -4.973 -7.948 2.866 758 H VAL 99 H VAL 99 -10.035 -6.317 2.623 759 HA VAL 99 HA VAL 99 -10.895 -3.778 1.788 760 HB VAL 99 HB VAL 99 -12.295 -6.481 1.881 761 1HG1 VAL 99 1HG2 VAL 99 -13.863 -5.528 0.176 762 2HG1 VAL 99 2HG2 VAL 99 -13.207 -3.915 0.521 763 3HG1 VAL 99 3HG2 VAL 99 -14.078 -4.823 1.780 764 1HG2 VAL 99 1HG1 VAL 99 -11.755 -6.522 -0.516 765 2HG2 VAL 99 2HG1 VAL 99 -10.265 -6.251 0.396 766 3HG2 VAL 99 3HG1 VAL 99 -11.057 -4.894 -0.419 767 H GLN 100 H GLN 100 -12.421 -5.935 4.280 768 HA GLN 100 HA GLN 100 -14.358 -4.023 5.124 769 1HB GLN 100 2HB GLN 100 -12.967 -6.317 6.560 770 2HB GLN 100 1HB GLN 100 -14.289 -5.388 7.284 771 1HG GLN 100 1HG GLN 100 -15.844 -6.032 5.599 772 2HG GLN 100 2HG GLN 100 -14.592 -6.728 4.564 773 1HE2 GLN 100 1HE2 GLN 100 -13.336 -8.565 5.454 774 2HE2 GLN 100 2HE2 GLN 100 -14.189 -9.727 6.482 775 H THR 101 H THR 101 -11.073 -4.685 6.397 776 HA THR 101 HA THR 101 -11.131 -2.864 8.551 777 HB THR 101 HB THR 101 -8.748 -3.742 6.862 778 HG1 THR 101 HG1 THR 101 -9.884 -5.469 7.798 779 1HG2 THR 101 1HG2 THR 101 -8.891 -2.607 9.689 780 2HG2 THR 101 2HG2 THR 101 -8.108 -1.840 8.288 781 3HG2 THR 101 3HG2 THR 101 -7.453 -3.343 8.954 782 H VAL 102 H VAL 102 -10.222 -2.246 5.101 783 HA VAL 102 HA VAL 102 -9.523 0.511 5.788 784 HB VAL 102 HB VAL 102 -8.563 -1.047 3.987 785 1HG1 VAL 102 1HG2 VAL 102 -7.667 0.876 2.861 786 2HG1 VAL 102 2HG2 VAL 102 -9.119 1.853 3.205 787 3HG1 VAL 102 3HG2 VAL 102 -7.987 1.410 4.498 788 1HG2 VAL 102 1HG1 VAL 102 -9.344 -0.686 1.713 789 2HG2 VAL 102 2HG1 VAL 102 -10.765 0.177 2.289 790 3HG2 VAL 102 3HG1 VAL 102 -10.530 -1.547 2.678 791 H GLU 103 HN GLU 103 -12.192 -1.112 4.105 792 HA GLU 103 HA GLU 103 -13.678 1.171 3.374 793 1HB GLU 103 1HB GLU 103 -14.500 -1.673 4.083 794 2HB GLU 103 2HB GLU 103 -15.668 -0.438 3.641 795 1HG GLU 103 2HG GLU 103 -14.486 0.005 1.510 796 2HG GLU 103 1HG GLU 103 -13.301 -1.250 1.886 797 H LYS 104 HN LYS 104 -13.562 -0.502 6.491 798 HA LYS 104 HA LYS 104 -15.487 0.805 8.004 799 1HB LYS 104 2HB LYS 104 -13.857 -0.792 8.955 800 2HB LYS 104 1HB LYS 104 -12.551 0.339 8.592 801 1HG LYS 104 2HG LYS 104 -13.702 1.986 10.243 802 2HG LYS 104 1HG LYS 104 -14.610 0.558 10.778 803 1HD LYS 104 2HD LYS 104 -12.310 -0.587 11.024 804 2HD LYS 104 1HD LYS 104 -11.585 0.982 10.665 805 1HE LYS 104 1HE LYS 104 -13.411 0.345 13.035 806 2HE LYS 104 2HE LYS 104 -11.655 0.573 13.095 807 1HZ LYS 104 1HZ LYS 104 -12.786 2.540 13.751 808 2HZ LYS 104 2HZ LYS 104 -13.624 2.613 12.334 809 3HZ LYS 104 3HZ LYS 104 -11.989 2.820 12.337 810 H TYR 105 H TYR 105 -12.284 2.090 6.996 811 HA TYR 105 HA TYR 105 -12.754 4.690 8.289 812 1HB TYR 105 1HB TYR 105 -10.426 3.663 6.620 813 2HB TYR 105 2HB TYR 105 -10.479 5.114 7.607 814 HD1 TYR 105 HD1 TYR 105 -9.327 1.820 7.582 815 HD2 TYR 105 HD2 TYR 105 -11.037 4.807 10.163 816 HE1 TYR 105 HE1 TYR 105 -8.294 0.710 9.529 817 HE2 TYR 105 HE2 TYR 105 -9.944 3.730 12.119 818 HH TYR 105 HH TYR 105 -7.928 0.808 11.816 819 H LEU 106 H LEU 106 -14.748 4.377 6.523 820 HA LEU 106 HA LEU 106 -14.366 6.550 4.694 821 1HB LEU 106 2HB LEU 106 -14.804 3.744 3.608 822 2HB LEU 106 1HB LEU 106 -15.523 5.152 2.833 823 HG LEU 106 HG LEU 106 -12.565 4.549 3.098 824 1HD1 LEU 106 1HD2 LEU 106 -13.960 7.115 2.196 825 2HD1 LEU 106 2HD2 LEU 106 -12.657 6.960 3.400 826 3HD1 LEU 106 3HD2 LEU 106 -12.315 6.681 1.699 827 1HD2 LEU 106 1HD1 LEU 106 -14.479 4.989 0.754 828 2HD2 LEU 106 2HD1 LEU 106 -12.757 4.629 0.633 829 3HD2 LEU 106 3HD1 LEU 106 -13.859 3.417 1.313 830 H ASN 107 H ASN 107 -15.890 7.648 5.567 831 HA ASN 107 HA ASN 107 -18.643 7.060 5.329 832 1HB ASN 107 2HB ASN 107 -17.897 5.804 7.514 833 2HB ASN 107 1HB ASN 107 -17.656 7.415 8.194 834 1HD2 ASN 107 2HD2 ASN 107 -19.927 8.766 7.071 835 2HD2 ASN 107 1HD2 ASN 107 -21.377 8.022 7.765 Start of MODEL 19 1 1H MET 1 1H MET 1 -7.444 3.610 -6.465 2 2H MET 1 2H MET 1 -7.973 4.372 -7.828 3 3H MET 1 3H MET 1 -7.458 5.244 -6.505 4 HA MET 1 HA MET 1 -5.873 5.043 -8.442 5 1HB MET 1 2HB MET 1 -5.207 5.887 -6.237 6 2HB MET 1 1HB MET 1 -5.096 4.244 -5.596 7 1HG MET 1 2HG MET 1 -2.885 5.293 -6.126 8 2HG MET 1 1HG MET 1 -3.168 3.748 -6.904 9 1HE MET 1 1HE MET 1 -4.524 7.347 -8.052 10 2HE MET 1 2HE MET 1 -3.143 7.824 -9.062 11 3HE MET 1 3HE MET 1 -2.920 7.593 -7.313 12 H GLU 2 HN GLU 2 -4.591 3.615 -9.644 13 HA GLU 2 HA GLU 2 -5.268 0.759 -9.534 14 1HB GLU 2 2HB GLU 2 -3.881 0.634 -11.566 15 2HB GLU 2 1HB GLU 2 -5.150 1.855 -11.704 16 1HG GLU 2 2HG GLU 2 -3.495 3.659 -11.289 17 2HG GLU 2 1HG GLU 2 -2.224 2.456 -11.031 18 H ALA 3 H ALA 3 -3.413 -0.889 -9.537 19 HA ALA 3 HA ALA 3 -1.738 -0.428 -7.235 20 1HB ALA 3 1HB ALA 3 -0.923 -2.734 -7.761 21 2HB ALA 3 2HB ALA 3 -2.671 -2.614 -7.607 22 3HB ALA 3 3HB ALA 3 -1.931 -2.721 -9.223 23 H GLY 4 H GLY 4 -0.747 1.556 -8.396 24 1HA GLY 4 1HA GLY 4 1.221 1.180 -10.432 25 2HA GLY 4 2HA GLY 4 1.124 2.543 -9.301 26 H ALA 5 H ALA 5 3.416 0.730 -10.307 27 HA ALA 5 HA ALA 5 4.463 -0.390 -7.795 28 1HB ALA 5 1HB ALA 5 5.053 -1.502 -9.844 29 2HB ALA 5 2HB ALA 5 5.759 0.010 -10.499 30 3HB ALA 5 3HB ALA 5 6.488 -0.777 -9.074 31 H VAL 6 H VAL 6 4.627 1.244 -6.443 32 HA VAL 6 HA VAL 6 5.668 3.919 -7.264 33 HB VAL 6 HB VAL 6 5.218 4.532 -4.829 34 1HG1 VAL 6 1HG1 VAL 6 3.531 3.245 -3.615 35 2HG1 VAL 6 2HG1 VAL 6 3.517 2.007 -4.865 36 3HG1 VAL 6 3HG1 VAL 6 4.971 2.273 -3.864 37 1HG2 VAL 6 1HG2 VAL 6 2.923 3.764 -6.656 38 2HG2 VAL 6 2HG2 VAL 6 3.799 5.316 -6.605 39 3HG2 VAL 6 3HG2 VAL 6 2.789 4.819 -5.242 40 H ASN 7 H ASN 7 7.383 4.900 -5.975 41 HA ASN 7 HA ASN 7 9.169 3.270 -4.391 42 1HB ASN 7 1HB ASN 7 9.795 3.932 -7.312 43 2HB ASN 7 2HB ASN 7 11.105 3.886 -6.147 44 1HD2 ASN 7 2HD2 ASN 7 10.900 1.954 -4.560 45 2HD2 ASN 7 1HD2 ASN 7 10.672 0.375 -5.238 46 H ASP 8 HN ASP 8 11.230 4.851 -4.203 47 HA ASP 8 HA ASP 8 10.618 6.768 -2.492 48 1HB ASP 8 2HB ASP 8 12.914 5.978 -3.264 49 2HB ASP 8 1HB ASP 8 12.868 7.221 -4.508 50 H ASP 9 HN ASP 9 11.165 7.632 -5.876 51 HA ASP 9 HA ASP 9 10.444 10.389 -5.655 52 1HB ASP 9 1HB ASP 9 11.709 9.557 -7.550 53 2HB ASP 9 2HB ASP 9 10.410 8.484 -8.049 54 H THR 10 H THR 10 8.550 7.900 -7.366 55 HA THR 10 HA THR 10 6.227 9.368 -7.747 56 HB THR 10 HB THR 10 5.184 7.000 -7.920 57 HG1 THR 10 HG1 THR 10 6.995 5.432 -8.089 58 1HG2 THR 10 1HG2 THR 10 7.723 7.644 -9.498 59 2HG2 THR 10 2HG2 THR 10 6.096 8.251 -9.853 60 3HG2 THR 10 3HG2 THR 10 6.441 6.520 -9.994 61 H PHE 11 H PHE 11 7.052 7.291 -5.016 62 HA PHE 11 HA PHE 11 4.808 7.027 -3.527 63 1HB PHE 11 2HB PHE 11 7.107 6.304 -2.972 64 2HB PHE 11 1HB PHE 11 7.523 7.929 -2.490 65 HD1 PHE 11 HD1 PHE 11 7.117 8.607 -0.251 66 HD2 PHE 11 HD2 PHE 11 5.307 5.010 -1.774 67 HE1 PHE 11 HE1 PHE 11 6.606 7.885 2.066 68 HE2 PHE 11 HE2 PHE 11 4.780 4.298 0.538 69 HZ PHE 11 HZ PHE 11 5.347 5.767 2.459 70 H LYS 12 HN LYS 12 6.858 9.858 -3.545 71 HA LYS 12 HA LYS 12 5.648 11.454 -1.549 72 1HB LYS 12 2HB LYS 12 6.849 12.440 -4.175 73 2HB LYS 12 1HB LYS 12 6.633 13.384 -2.709 74 1HG LYS 12 1HG LYS 12 8.451 10.943 -2.987 75 2HG LYS 12 2HG LYS 12 8.968 12.622 -3.066 76 1HD LYS 12 1HD LYS 12 8.159 12.962 -0.721 77 2HD LYS 12 2HD LYS 12 7.745 11.238 -0.631 78 1HE LYS 12 2HE LYS 12 10.544 12.313 -1.209 79 2HE LYS 12 1HE LYS 12 9.974 11.782 0.381 80 1HZ LYS 12 1HZ LYS 12 11.190 10.081 -0.788 81 2HZ LYS 12 2HZ LYS 12 10.091 10.067 -2.006 82 3HZ LYS 12 3HZ LYS 12 9.640 9.608 -0.492 83 H ASN 13 H ASN 13 4.909 11.320 -5.013 84 HA ASN 13 HA ASN 13 2.724 13.273 -4.835 85 1HB ASN 13 2HB ASN 13 3.951 11.520 -7.007 86 2HB ASN 13 1HB ASN 13 2.441 12.355 -7.291 87 1HD2 ASN 13 2HD2 ASN 13 2.669 14.896 -6.464 88 2HD2 ASN 13 1HD2 ASN 13 4.172 15.640 -6.990 89 H VAL 14 H VAL 14 3.052 9.876 -5.705 90 HA VAL 14 HA VAL 14 0.253 9.473 -6.175 91 HB VAL 14 HB VAL 14 2.640 7.577 -5.975 92 1HG1 VAL 14 1HG1 VAL 14 2.958 9.292 -7.758 93 2HG1 VAL 14 2HG1 VAL 14 2.622 7.713 -8.464 94 3HG1 VAL 14 3HG1 VAL 14 1.339 8.934 -8.385 95 1HG2 VAL 14 1HG2 VAL 14 0.571 6.316 -5.805 96 2HG2 VAL 14 2HG2 VAL 14 -0.106 7.194 -7.204 97 3HG2 VAL 14 3HG2 VAL 14 1.282 6.094 -7.414 98 H VAL 15 H VAL 15 2.341 8.885 -3.347 99 HA VAL 15 HA VAL 15 0.129 7.327 -2.065 100 HB VAL 15 HB VAL 15 3.083 7.315 -1.379 101 1HG1 VAL 15 1HG1 VAL 15 1.614 6.651 0.459 102 2HG1 VAL 15 2HG1 VAL 15 2.486 5.266 -0.201 103 3HG1 VAL 15 3HG1 VAL 15 0.770 5.496 -0.601 104 1HG2 VAL 15 1HG2 VAL 15 1.496 5.360 -3.074 105 2HG2 VAL 15 2HG2 VAL 15 2.760 6.438 -3.669 106 3HG2 VAL 15 3HG2 VAL 15 3.171 5.164 -2.520 107 H LEU 16 H LEU 16 2.743 9.726 -1.241 108 HA LEU 16 HA LEU 16 1.512 10.184 1.358 109 1HB LEU 16 2HB LEU 16 3.641 11.769 -0.145 110 2HB LEU 16 1HB LEU 16 3.136 12.049 1.506 111 HG LEU 16 HG LEU 16 4.535 9.593 0.360 112 1HD1 LEU 16 1HD1 LEU 16 5.361 11.611 2.492 113 2HD1 LEU 16 2HD1 LEU 16 5.878 11.670 0.798 114 3HD1 LEU 16 3HD1 LEU 16 6.364 10.306 1.823 115 1HD2 LEU 16 1HD2 LEU 16 3.069 8.688 2.021 116 2HD2 LEU 16 2HD2 LEU 16 4.629 8.871 2.826 117 3HD2 LEU 16 3HD2 LEU 16 3.354 10.058 3.128 118 H GLU 17 HN GLU 17 2.097 12.622 -1.210 119 HA GLU 17 HA GLU 17 -0.018 14.299 -0.080 120 1HB GLU 17 1HB GLU 17 1.667 14.685 -2.589 121 2HB GLU 17 2HB GLU 17 0.743 15.920 -1.721 122 1HG GLU 17 1HG GLU 17 3.229 14.454 -0.714 123 2HG GLU 17 2HG GLU 17 3.087 16.154 -1.153 124 H SER 18 H SER 18 -1.249 11.998 -0.811 125 HA SER 18 HA SER 18 -2.551 12.375 -3.427 126 1HB SER 18 1HB SER 18 -3.020 10.254 -1.288 127 2HB SER 18 2HB SER 18 -3.489 10.193 -2.999 128 HG SER 18 HG SER 18 -1.541 9.204 -3.079 129 H SER 19 H SER 19 -4.871 12.684 -3.611 130 HA SER 19 HA SER 19 -6.085 14.340 -1.544 131 1HB SER 19 2HB SER 19 -7.974 14.161 -3.324 132 2HB SER 19 1HB SER 19 -6.460 14.948 -3.821 133 HG SER 19 HG SER 19 -7.124 13.352 -5.351 134 H VAL 20 H VAL 20 -6.871 11.389 -3.282 135 HA VAL 20 HA VAL 20 -8.689 10.340 -1.245 136 HB VAL 20 HB VAL 20 -8.649 8.288 -2.662 137 1HG1 VAL 20 1HG1 VAL 20 -6.636 9.844 -4.377 138 2HG1 VAL 20 2HG1 VAL 20 -7.541 8.461 -4.941 139 3HG1 VAL 20 3HG1 VAL 20 -6.415 8.268 -3.593 140 1HG2 VAL 20 1HG2 VAL 20 -9.801 9.205 -4.597 141 2HG2 VAL 20 2HG2 VAL 20 -9.147 10.822 -4.265 142 3HG2 VAL 20 3HG2 VAL 20 -10.283 10.059 -3.124 143 HA PRO 21 HA PRO 21 -5.414 8.356 1.015 144 1HB PRO 21 1HB PRO 21 -6.655 6.238 2.262 145 2HB PRO 21 2HB PRO 21 -6.943 7.939 2.729 146 1HG PRO 21 1HG PRO 21 -8.594 6.161 0.928 147 2HG PRO 21 2HG PRO 21 -9.142 7.249 2.229 148 1HD PRO 21 1HD PRO 21 -9.168 7.897 -0.477 149 2HD PRO 21 2HD PRO 21 -8.992 9.141 0.783 150 H VAL 22 H VAL 22 -4.238 6.279 1.151 151 HA VAL 22 HA VAL 22 -4.876 4.362 -0.891 152 HB VAL 22 HB VAL 22 -2.205 4.952 -1.643 153 1HG1 VAL 22 1HG2 VAL 22 -3.368 5.593 -3.792 154 2HG1 VAL 22 2HG2 VAL 22 -4.910 5.626 -2.937 155 3HG1 VAL 22 3HG2 VAL 22 -4.016 4.102 -3.088 156 1HG2 VAL 22 1HG1 VAL 22 -2.178 7.216 -2.348 157 2HG2 VAL 22 2HG1 VAL 22 -3.759 7.552 -1.656 158 3HG2 VAL 22 3HG1 VAL 22 -2.380 7.174 -0.591 159 H LEU 23 H LEU 23 -4.146 2.319 -0.693 160 HA LEU 23 HA LEU 23 -2.685 1.665 1.761 161 1HB LEU 23 2HB LEU 23 -4.932 0.720 1.050 162 2HB LEU 23 1HB LEU 23 -4.105 -0.091 -0.257 163 HG LEU 23 HG LEU 23 -2.885 -0.620 2.357 164 1HD1 LEU 23 1HD1 LEU 23 -3.863 -2.268 -0.046 165 2HD1 LEU 23 2HD1 LEU 23 -3.089 -2.999 1.351 166 3HD1 LEU 23 3HD1 LEU 23 -2.180 -1.861 0.341 167 1HD2 LEU 23 1HD2 LEU 23 -5.303 -0.540 2.986 168 2HD2 LEU 23 2HD2 LEU 23 -5.650 -1.727 1.713 169 3HD2 LEU 23 3HD2 LEU 23 -4.611 -2.159 3.095 170 H VAL 24 H VAL 24 -0.461 1.825 1.299 171 HA VAL 24 HA VAL 24 0.487 0.677 -1.299 172 HB VAL 24 HB VAL 24 1.360 2.801 -1.044 173 1HG1 VAL 24 1HG2 VAL 24 2.022 2.028 1.804 174 2HG1 VAL 24 2HG2 VAL 24 2.697 3.439 0.985 175 3HG1 VAL 24 3HG2 VAL 24 0.943 3.315 1.215 176 1HG2 VAL 24 1HG1 VAL 24 2.959 1.015 -1.752 177 2HG2 VAL 24 2HG1 VAL 24 3.734 2.417 -0.992 178 3HG2 VAL 24 3HG1 VAL 24 3.549 0.912 -0.075 179 H ASP 25 HN ASP 25 1.246 -1.333 -1.313 180 HA ASP 25 HA ASP 25 1.900 -2.678 1.277 181 1HB ASP 25 1HB ASP 25 0.410 -3.953 -0.167 182 2HB ASP 25 2HB ASP 25 1.533 -3.784 -1.526 183 H PHE 26 H PHE 26 4.025 -2.714 1.858 184 HA PHE 26 HA PHE 26 6.122 -1.868 -0.081 185 1HB PHE 26 2HB PHE 26 6.179 -2.688 2.849 186 2HB PHE 26 1HB PHE 26 7.603 -2.323 1.886 187 HD1 PHE 26 HD1 PHE 26 8.513 -0.185 2.168 188 HD2 PHE 26 HD2 PHE 26 4.232 -0.649 2.609 189 HE1 PHE 26 HE1 PHE 26 8.328 2.115 3.021 190 HE2 PHE 26 HE2 PHE 26 4.065 1.670 3.341 191 HZ PHE 26 HZ PHE 26 6.099 3.011 3.748 192 H TRP 27 H TRP 27 6.685 -3.402 -1.525 193 HA TRP 27 HA TRP 27 6.557 -6.285 -0.690 194 1HB TRP 27 2HB TRP 27 5.557 -6.882 -2.717 195 2HB TRP 27 1HB TRP 27 4.620 -5.525 -2.134 196 HD1 TRP 27 HD1 TRP 27 5.401 -3.106 -3.346 197 HE1 TRP 27 HE1 TRP 27 6.345 -2.594 -5.709 198 HE3 TRP 27 HE3 TRP 27 6.405 -7.885 -4.858 199 HZ2 TRP 27 HZ2 TRP 27 7.631 -4.097 -7.824 200 HZ3 TRP 27 HZ3 TRP 27 7.259 -8.306 -7.130 201 HH2 TRP 27 HH2 TRP 27 7.914 -6.427 -8.605 202 H ALA 28 H ALA 28 7.529 -7.511 -2.759 203 HA ALA 28 HA ALA 28 9.571 -6.290 -4.257 204 1HB ALA 28 1HB ALA 28 11.534 -7.517 -3.336 205 2HB ALA 28 2HB ALA 28 10.544 -8.071 -1.972 206 3HB ALA 28 3HB ALA 28 10.917 -6.339 -2.170 207 HA PRO 29 HA PRO 29 8.450 -10.039 -6.452 208 1HB PRO 29 1HB PRO 29 10.881 -10.842 -7.582 209 2HB PRO 29 2HB PRO 29 9.750 -9.608 -8.230 210 1HG PRO 29 1HG PRO 29 12.215 -9.144 -6.521 211 2HG PRO 29 2HG PRO 29 11.735 -8.285 -8.016 212 1HD PRO 29 2HD PRO 29 11.157 -7.123 -5.666 213 2HD PRO 29 1HD PRO 29 9.901 -7.223 -6.887 214 H TRP 30 H TRP 30 11.431 -10.288 -4.469 215 HA TRP 30 HA TRP 30 11.152 -13.148 -4.084 216 1HB TRP 30 1HB TRP 30 12.904 -12.773 -2.362 217 2HB TRP 30 2HB TRP 30 13.310 -12.169 -3.960 218 HD1 TRP 30 HD1 TRP 30 14.111 -9.764 -4.136 219 HE1 TRP 30 HE1 TRP 30 14.397 -7.772 -2.514 220 HE3 TRP 30 HE3 TRP 30 11.674 -11.649 -0.030 221 HZ2 TRP 30 HZ2 TRP 30 13.617 -7.071 0.138 222 HZ3 TRP 30 HZ3 TRP 30 11.428 -10.274 2.003 223 HH2 TRP 30 HH2 TRP 30 12.371 -7.983 2.096 224 H CYS 31 H CYS 31 9.311 -10.545 -2.802 225 HA CYS 31 HA CYS 31 9.087 -11.567 -0.070 226 1HB CYS 31 1HB CYS 31 8.754 -9.164 -0.554 227 2HB CYS 31 2HB CYS 31 7.389 -9.574 -1.574 228 H GLY 32 H GLY 32 8.565 -13.778 -0.590 229 1HA GLY 32 2HA GLY 32 6.697 -15.088 -1.851 230 2HA GLY 32 1HA GLY 32 6.865 -15.374 -0.120 231 HA PRO 33 HA PRO 33 2.753 -14.220 0.728 232 1HB PRO 33 1HB PRO 33 2.631 -12.170 2.526 233 2HB PRO 33 2HB PRO 33 3.135 -13.835 2.937 234 1HG PRO 33 2HG PRO 33 4.899 -11.514 2.194 235 2HG PRO 33 1HG PRO 33 5.049 -12.549 3.649 236 1HD PRO 33 2HD PRO 33 6.568 -13.010 1.482 237 2HD PRO 33 1HD PRO 33 5.786 -14.391 2.292 238 H CYS 34 H CYS 34 4.680 -11.270 0.101 239 HA CYS 34 HA CYS 34 2.598 -9.529 -0.706 240 1HB CYS 34 1HB CYS 34 5.245 -9.478 -2.024 241 2HB CYS 34 2HB CYS 34 4.081 -8.229 -1.708 242 H ARG 35 HN ARG 35 4.711 -11.815 -2.447 243 HA ARG 35 HA ARG 35 3.952 -11.311 -5.101 244 1HB ARG 35 2HB ARG 35 5.898 -12.718 -4.082 245 2HB ARG 35 1HB ARG 35 4.750 -14.056 -4.062 246 1HG ARG 35 1HG ARG 35 4.385 -13.709 -6.532 247 2HG ARG 35 2HG ARG 35 5.636 -12.450 -6.497 248 1HD ARG 35 2HD ARG 35 7.275 -14.157 -5.630 249 2HD ARG 35 1HD ARG 35 6.007 -15.376 -5.725 250 HE ARG 35 HE ARG 35 6.125 -15.450 -8.018 251 1HH1 ARG 35 1HH1 ARG 35 8.277 -12.864 -6.836 252 2HH1 ARG 35 2HH1 ARG 35 8.975 -12.582 -8.405 253 1HH2 ARG 35 1HH2 ARG 35 7.084 -15.090 -10.029 254 2HH2 ARG 35 2HH2 ARG 35 8.318 -13.878 -10.234 255 H ILE 36 H ILE 36 2.746 -13.813 -2.826 256 HA ILE 36 HA ILE 36 0.797 -14.753 -4.754 257 HB ILE 36 HB ILE 36 -0.194 -16.032 -2.926 258 1HG1 ILE 36 1HG1 ILE 36 1.956 -14.897 -1.129 259 2HG1 ILE 36 2HG1 ILE 36 0.290 -14.272 -1.113 260 1HG2 ILE 36 1HG2 ILE 36 1.802 -16.797 -4.228 261 2HG2 ILE 36 2HG2 ILE 36 1.790 -17.461 -2.589 262 3HG2 ILE 36 3HG2 ILE 36 2.869 -16.113 -2.992 263 1HD1 ILE 36 1HD1 ILE 36 -0.575 -16.479 -0.555 264 2HD1 ILE 36 2HD1 ILE 36 1.097 -17.098 -0.437 265 3HD1 ILE 36 3HD1 ILE 36 0.535 -15.822 0.667 266 H ILE 37 H ILE 37 0.470 -12.316 -2.076 267 HA ILE 37 HA ILE 37 -2.355 -11.988 -2.770 268 HB ILE 37 HB ILE 37 -2.416 -10.091 -1.326 269 1HG1 ILE 37 1HG1 ILE 37 0.588 -10.318 -1.064 270 2HG1 ILE 37 2HG1 ILE 37 -0.261 -9.023 -1.904 271 1HG2 ILE 37 1HG2 ILE 37 -0.689 -12.245 -0.030 272 2HG2 ILE 37 2HG2 ILE 37 -1.923 -11.231 0.739 273 3HG2 ILE 37 3HG2 ILE 37 -2.402 -12.455 -0.435 274 1HD1 ILE 37 1HD1 ILE 37 -0.350 -9.610 1.075 275 2HD1 ILE 37 2HD1 ILE 37 0.365 -8.214 0.256 276 3HD1 ILE 37 3HD1 ILE 37 -1.398 -8.427 0.251 277 H ALA 38 H ALA 38 0.615 -10.539 -4.070 278 HA ALA 38 HA ALA 38 -0.054 -8.200 -5.105 279 1HB ALA 38 1HB ALA 38 1.243 -10.395 -6.775 280 2HB ALA 38 2HB ALA 38 2.067 -9.370 -5.579 281 3HB ALA 38 3HB ALA 38 1.373 -8.657 -7.041 282 HA PRO 39 HA PRO 39 -2.512 -9.761 -8.955 283 1HB PRO 39 1HB PRO 39 -3.868 -12.247 -8.030 284 2HB PRO 39 2HB PRO 39 -3.031 -11.944 -9.574 285 1HG PRO 39 1HG PRO 39 -1.929 -13.574 -7.664 286 2HG PRO 39 2HG PRO 39 -0.901 -12.443 -8.602 287 1HD PRO 39 2HD PRO 39 -2.175 -11.953 -5.897 288 2HD PRO 39 1HD PRO 39 -0.487 -11.825 -6.249 289 H VAL 40 H VAL 40 -3.594 -10.572 -5.697 290 HA VAL 40 HA VAL 40 -6.380 -9.763 -6.001 291 HB VAL 40 HB VAL 40 -4.846 -11.408 -4.284 292 1HG1 VAL 40 1HG1 VAL 40 -5.138 -10.718 -2.095 293 2HG1 VAL 40 2HG1 VAL 40 -5.942 -9.201 -2.600 294 3HG1 VAL 40 3HG1 VAL 40 -4.226 -9.458 -2.900 295 1HG2 VAL 40 1HG2 VAL 40 -7.026 -11.874 -3.225 296 2HG2 VAL 40 2HG2 VAL 40 -7.715 -10.415 -3.971 297 3HG2 VAL 40 3HG2 VAL 40 -7.194 -11.777 -4.987 298 H VAL 41 H VAL 41 -3.320 -8.391 -4.811 299 HA VAL 41 HA VAL 41 -4.427 -5.917 -3.888 300 HB VAL 41 HB VAL 41 -1.684 -6.454 -5.128 301 1HG1 VAL 41 1HG1 VAL 41 -2.418 -6.350 -2.176 302 2HG1 VAL 41 2HG1 VAL 41 -2.165 -7.847 -3.068 303 3HG1 VAL 41 3HG1 VAL 41 -0.834 -6.706 -2.881 304 1HG2 VAL 41 1HG2 VAL 41 -2.559 -4.154 -3.353 305 2HG2 VAL 41 2HG2 VAL 41 -0.908 -4.493 -3.864 306 3HG2 VAL 41 3HG2 VAL 41 -2.108 -4.051 -5.078 307 H ASP 42 HN ASP 42 -3.095 -6.906 -7.071 308 HA ASP 42 HA ASP 42 -3.653 -4.523 -8.467 309 1HB ASP 42 1HB ASP 42 -3.673 -7.357 -9.583 310 2HB ASP 42 2HB ASP 42 -3.547 -5.845 -10.499 311 H GLU 43 HN GLU 43 -5.754 -7.507 -8.319 312 HA GLU 43 HA GLU 43 -7.727 -6.377 -9.977 313 1HB GLU 43 1HB GLU 43 -9.015 -8.188 -9.527 314 2HB GLU 43 2HB GLU 43 -7.404 -8.814 -9.191 315 1HG GLU 43 2HG GLU 43 -7.943 -8.290 -6.696 316 2HG GLU 43 1HG GLU 43 -9.602 -8.021 -7.224 317 H ILE 44 H ILE 44 -7.384 -6.185 -6.404 318 HA ILE 44 HA ILE 44 -9.834 -4.709 -6.012 319 HB ILE 44 HB ILE 44 -7.307 -5.228 -4.457 320 1HG1 ILE 44 2HG1 ILE 44 -9.584 -6.527 -4.603 321 2HG1 ILE 44 1HG1 ILE 44 -8.775 -6.351 -3.039 322 1HG2 ILE 44 1HG2 ILE 44 -7.425 -2.891 -4.008 323 2HG2 ILE 44 2HG2 ILE 44 -9.185 -2.950 -3.786 324 3HG2 ILE 44 3HG2 ILE 44 -8.110 -3.725 -2.612 325 1HD1 ILE 44 1HD1 ILE 44 -10.346 -4.561 -2.441 326 2HD1 ILE 44 2HD1 ILE 44 -11.092 -4.633 -4.053 327 3HD1 ILE 44 3HD1 ILE 44 -11.227 -6.008 -2.943 328 H ALA 45 H ALA 45 -6.464 -3.709 -6.756 329 HA ALA 45 HA ALA 45 -7.001 -0.917 -6.720 330 1HB ALA 45 1HB ALA 45 -4.984 -0.670 -7.725 331 2HB ALA 45 2HB ALA 45 -4.767 -2.296 -7.070 332 3HB ALA 45 3HB ALA 45 -5.142 -2.096 -8.787 333 H GLY 46 H GLY 46 -7.496 -3.395 -9.255 334 1HA GLY 46 2HA GLY 46 -8.321 -1.693 -11.371 335 2HA GLY 46 1HA GLY 46 -8.809 -3.384 -11.130 336 H GLU 47 HN GLU 47 -10.270 -3.461 -8.871 337 HA GLU 47 HA GLU 47 -12.797 -2.525 -9.544 338 1HB GLU 47 1HB GLU 47 -11.556 -3.224 -6.854 339 2HB GLU 47 2HB GLU 47 -13.253 -2.840 -7.037 340 1HG GLU 47 2HG GLU 47 -11.883 -5.058 -8.627 341 2HG GLU 47 1HG GLU 47 -12.678 -5.309 -7.074 342 H TYR 48 H TYR 48 -10.554 -0.983 -7.220 343 HA TYR 48 HA TYR 48 -12.320 1.450 -7.386 344 1HB TYR 48 2HB TYR 48 -10.123 1.170 -5.345 345 2HB TYR 48 1HB TYR 48 -11.545 2.202 -5.454 346 HD1 TYR 48 HD1 TYR 48 -10.325 -1.167 -4.637 347 HD2 TYR 48 HD2 TYR 48 -13.664 1.535 -4.555 348 HE1 TYR 48 HE1 TYR 48 -11.305 -2.439 -2.741 349 HE2 TYR 48 HE2 TYR 48 -14.565 0.355 -2.568 350 HH TYR 48 HH TYR 48 -13.995 -1.134 -0.827 351 H LYS 49 HN LYS 49 -10.336 0.758 -9.515 352 HA LYS 49 HA LYS 49 -8.040 2.274 -9.400 353 1HB LYS 49 2HB LYS 49 -8.212 2.420 -11.892 354 2HB LYS 49 1HB LYS 49 -8.645 0.837 -11.235 355 1HG LYS 49 2HG LYS 49 -11.079 1.480 -11.422 356 2HG LYS 49 1HG LYS 49 -10.568 2.883 -12.385 357 1HD LYS 49 1HD LYS 49 -9.594 1.475 -14.074 358 2HD LYS 49 2HD LYS 49 -9.734 0.030 -13.061 359 1HE LYS 49 1HE LYS 49 -12.110 1.594 -14.161 360 2HE LYS 49 2HE LYS 49 -11.461 0.079 -14.812 361 1HZ LYS 49 1HZ LYS 49 -13.254 -0.444 -13.427 362 2HZ LYS 49 2HZ LYS 49 -11.888 -0.899 -12.613 363 3HZ LYS 49 3HZ LYS 49 -12.686 0.463 -12.177 364 H ASP 50 HN ASP 50 -11.184 3.242 -10.243 365 HA ASP 50 HA ASP 50 -11.333 5.805 -10.953 366 1HB ASP 50 2HB ASP 50 -13.472 5.867 -9.990 367 2HB ASP 50 1HB ASP 50 -13.165 4.128 -10.221 368 H LYS 51 HN LYS 51 -11.020 4.878 -7.567 369 HA LYS 51 HA LYS 51 -9.843 7.518 -6.825 370 1HB LYS 51 2HB LYS 51 -12.311 6.037 -5.830 371 2HB LYS 51 1HB LYS 51 -11.489 7.228 -4.856 372 1HG LYS 51 1HG LYS 51 -11.869 8.877 -6.819 373 2HG LYS 51 2HG LYS 51 -12.953 7.649 -7.489 374 1HD LYS 51 1HD LYS 51 -13.198 9.069 -4.798 375 2HD LYS 51 2HD LYS 51 -14.255 9.245 -6.207 376 1HE LYS 51 2HE LYS 51 -14.917 6.814 -5.946 377 2HE LYS 51 1HE LYS 51 -13.963 6.742 -4.457 378 1HZ LYS 51 1HZ LYS 51 -15.337 8.466 -3.560 379 2HZ LYS 51 2HZ LYS 51 -16.240 7.165 -4.016 380 3HZ LYS 51 3HZ LYS 51 -16.234 8.527 -4.943 381 H LEU 52 H LEU 52 -10.773 4.287 -5.617 382 HA LEU 52 HA LEU 52 -9.491 5.198 -3.118 383 1HB LEU 52 1HB LEU 52 -11.748 4.191 -3.144 384 2HB LEU 52 2HB LEU 52 -11.007 2.608 -3.512 385 HG LEU 52 HG LEU 52 -10.053 2.500 -1.392 386 1HD1 LEU 52 1HD1 LEU 52 -11.160 5.318 -0.985 387 2HD1 LEU 52 2HD1 LEU 52 -9.453 4.897 -0.908 388 3HD1 LEU 52 3HD1 LEU 52 -10.540 4.300 0.341 389 1HD2 LEU 52 1HD2 LEU 52 -12.089 2.472 -0.011 390 2HD2 LEU 52 2HD2 LEU 52 -12.934 3.422 -1.252 391 3HD2 LEU 52 3HD2 LEU 52 -12.339 1.791 -1.619 392 H LYS 53 HN LYS 53 -8.354 3.679 -1.732 393 HA LYS 53 HA LYS 53 -6.022 3.731 -2.358 394 1HB LYS 53 2HB LYS 53 -5.902 2.602 0.083 395 2HB LYS 53 1HB LYS 53 -6.990 3.938 -0.116 396 1HG LYS 53 2HG LYS 53 -7.611 1.878 1.250 397 2HG LYS 53 1HG LYS 53 -8.814 2.684 0.295 398 1HD LYS 53 1HD LYS 53 -8.355 0.795 -1.487 399 2HD LYS 53 2HD LYS 53 -7.497 -0.018 -0.161 400 1HE LYS 53 2HE LYS 53 -9.501 -0.231 1.128 401 2HE LYS 53 1HE LYS 53 -10.420 0.778 0.007 402 1HZ LYS 53 1HZ LYS 53 -10.000 -0.896 -1.654 403 2HZ LYS 53 2HZ LYS 53 -9.209 -1.829 -0.550 404 3HZ LYS 53 3HZ LYS 53 -10.816 -1.504 -0.359 405 H CYS 54 H CYS 54 -4.978 2.394 -4.052 406 HA CYS 54 HA CYS 54 -3.835 0.009 -2.695 407 1HB CYS 54 1HB CYS 54 -5.886 -0.800 -3.885 408 2HB CYS 54 2HB CYS 54 -5.176 -0.199 -5.406 409 HG CYS 54 HG CYS 54 -4.861 -2.803 -5.096 410 H VAL 55 H VAL 55 -1.664 0.167 -2.852 411 HA VAL 55 HA VAL 55 -0.490 0.578 -5.511 412 HB VAL 55 HB VAL 55 1.089 2.230 -3.793 413 1HG1 VAL 55 1HG1 VAL 55 -1.776 3.238 -3.762 414 2HG1 VAL 55 2HG1 VAL 55 -0.333 4.069 -3.187 415 3HG1 VAL 55 3HG1 VAL 55 -0.891 2.625 -2.338 416 1HG2 VAL 55 1HG2 VAL 55 0.520 3.943 -5.470 417 2HG2 VAL 55 2HG2 VAL 55 0.900 2.388 -6.214 418 3HG2 VAL 55 3HG2 VAL 55 -0.788 2.906 -6.088 419 H LYS 56 HN LYS 56 2.014 0.321 -5.371 420 HA LYS 56 HA LYS 56 2.736 -1.568 -3.185 421 1HB LYS 56 1HB LYS 56 2.083 -2.116 -5.990 422 2HB LYS 56 2HB LYS 56 3.711 -2.654 -5.608 423 1HG LYS 56 2HG LYS 56 2.836 -3.871 -3.599 424 2HG LYS 56 1HG LYS 56 1.196 -3.378 -4.042 425 1HD LYS 56 1HD LYS 56 3.073 -5.127 -5.715 426 2HD LYS 56 2HD LYS 56 1.723 -5.697 -4.719 427 1HE LYS 56 1HE LYS 56 0.171 -4.254 -6.136 428 2HE LYS 56 2HE LYS 56 1.540 -3.950 -7.220 429 1HZ LYS 56 1HZ LYS 56 1.696 -6.308 -7.569 430 2HZ LYS 56 2HZ LYS 56 0.206 -5.730 -7.979 431 3HZ LYS 56 3HZ LYS 56 0.397 -6.573 -6.583 432 H LEU 57 H LEU 57 4.624 -0.889 -2.286 433 HA LEU 57 HA LEU 57 6.485 0.740 -3.957 434 1HB LEU 57 2HB LEU 57 5.885 1.562 -1.652 435 2HB LEU 57 1HB LEU 57 6.746 0.169 -1.030 436 HG LEU 57 HG LEU 57 8.625 1.287 -2.739 437 1HD1 LEU 57 1HD2 LEU 57 8.144 1.756 0.231 438 2HD1 LEU 57 2HD2 LEU 57 9.036 0.387 -0.474 439 3HD1 LEU 57 3HD2 LEU 57 9.680 2.035 -0.585 440 1HD2 LEU 57 1HD1 LEU 57 7.196 3.503 -1.214 441 2HD2 LEU 57 2HD1 LEU 57 7.153 3.316 -2.981 442 3HD2 LEU 57 3HD1 LEU 57 8.684 3.678 -2.149 443 H ASN 58 H ASN 58 8.131 -0.279 -5.010 444 HA ASN 58 HA ASN 58 8.860 -3.019 -4.164 445 1HB ASN 58 1HB ASN 58 8.948 -2.480 -6.539 446 2HB ASN 58 2HB ASN 58 10.173 -1.251 -6.259 447 1HD2 ASN 58 2HD2 ASN 58 9.858 -4.372 -7.302 448 2HD2 ASN 58 1HD2 ASN 58 11.426 -4.986 -6.804 449 H THR 59 H THR 59 9.829 -3.291 -2.386 450 HA THR 59 HA THR 59 11.009 -1.256 -0.797 451 HB THR 59 HB THR 59 11.112 -4.305 -0.667 452 HG1 THR 59 HG1 THR 59 9.038 -3.588 -0.608 453 1HG2 THR 59 1HG2 THR 59 12.835 -3.401 0.762 454 2HG2 THR 59 2HG2 THR 59 11.696 -2.212 1.444 455 3HG2 THR 59 3HG2 THR 59 11.478 -3.960 1.747 456 H ASP 60 HN ASP 60 12.381 -3.704 -2.968 457 HA ASP 60 HA ASP 60 15.123 -3.438 -2.038 458 1HB ASP 60 2HB ASP 60 14.367 -5.465 -3.025 459 2HB ASP 60 1HB ASP 60 13.696 -4.635 -4.409 460 H GLU 61 HN GLU 61 13.084 -1.954 -4.510 461 HA GLU 61 HA GLU 61 15.240 -0.242 -5.546 462 1HB GLU 61 2HB GLU 61 13.603 -1.267 -7.005 463 2HB GLU 61 1HB GLU 61 12.274 -0.475 -6.159 464 1HG GLU 61 2HG GLU 61 13.060 1.734 -6.904 465 2HG GLU 61 1HG GLU 61 14.497 0.991 -7.617 466 H SER 62 H SER 62 12.875 -0.057 -2.961 467 HA SER 62 HA SER 62 13.818 2.745 -2.437 468 1HB SER 62 1HB SER 62 10.926 1.862 -2.458 469 2HB SER 62 2HB SER 62 11.596 3.341 -1.726 470 HG SER 62 HG SER 62 12.705 3.015 -4.151 471 HA PRO 63 HA PRO 63 14.248 0.098 1.353 472 1HB PRO 63 1HB PRO 63 16.951 0.434 1.668 473 2HB PRO 63 2HB PRO 63 16.242 -0.872 0.667 474 1HG PRO 63 1HG PRO 63 17.316 1.807 -0.261 475 2HG PRO 63 2HG PRO 63 17.652 0.191 -0.947 476 1HD PRO 63 1HD PRO 63 15.772 1.803 -2.054 477 2HD PRO 63 2HD PRO 63 15.481 0.063 -1.916 478 H ASN 64 H ASN 64 15.362 3.157 0.080 479 HA ASN 64 HA ASN 64 16.041 4.730 2.252 480 1HB ASN 64 2HB ASN 64 14.388 5.307 -0.246 481 2HB ASN 64 1HB ASN 64 14.742 6.555 0.946 482 1HD2 ASN 64 1HD2 ASN 64 15.567 7.245 -1.382 483 2HD2 ASN 64 2HD2 ASN 64 17.302 6.989 -1.618 484 H VAL 65 H VAL 65 12.780 4.756 0.894 485 HA VAL 65 HA VAL 65 11.425 6.070 2.939 486 HB VAL 65 HB VAL 65 10.487 3.945 0.947 487 1HG1 VAL 65 1HG2 VAL 65 8.266 4.925 1.189 488 2HG1 VAL 65 2HG2 VAL 65 8.820 4.279 2.735 489 3HG1 VAL 65 3HG2 VAL 65 8.878 6.032 2.449 490 1HG2 VAL 65 1HG1 VAL 65 10.580 6.993 0.792 491 2HG2 VAL 65 2HG1 VAL 65 9.773 5.935 -0.385 492 3HG2 VAL 65 3HG1 VAL 65 11.528 5.866 -0.196 493 H ALA 66 H ALA 66 11.805 2.632 2.351 494 HA ALA 66 HA ALA 66 10.367 1.593 4.554 495 1HB ALA 66 1HB ALA 66 11.670 -0.463 4.243 496 2HB ALA 66 2HB ALA 66 11.225 0.218 2.667 497 3HB ALA 66 3HB ALA 66 12.877 0.405 3.288 498 H SER 67 H SER 67 13.821 2.584 4.398 499 HA SER 67 HA SER 67 14.407 1.879 7.127 500 1HB SER 67 2HB SER 67 15.844 3.819 5.257 501 2HB SER 67 1HB SER 67 16.477 3.133 6.764 502 HG SER 67 HG SER 67 15.732 1.711 4.418 503 H GLU 68 HN GLU 68 13.436 4.890 5.502 504 HA GLU 68 HA GLU 68 13.701 6.678 7.698 505 1HB GLU 68 1HB GLU 68 11.745 6.638 5.360 506 2HB GLU 68 2HB GLU 68 11.854 7.963 6.513 507 1HG GLU 68 1HG GLU 68 14.090 8.507 5.874 508 2HG GLU 68 2HG GLU 68 14.307 7.001 4.983 509 H TYR 69 H TYR 69 10.969 4.562 6.732 510 HA TYR 69 HA TYR 69 9.406 5.287 9.105 511 1HB TYR 69 2HB TYR 69 9.176 3.175 6.934 512 2HB TYR 69 1HB TYR 69 8.128 3.164 8.339 513 HD1 TYR 69 HD1 TYR 69 8.355 4.314 5.027 514 HD2 TYR 69 HD2 TYR 69 6.969 5.522 8.921 515 HE1 TYR 69 HE1 TYR 69 7.133 6.224 4.010 516 HE2 TYR 69 HE2 TYR 69 5.734 7.410 7.901 517 HH TYR 69 HH TYR 69 5.533 8.710 5.978 518 H GLY 70 H GLY 70 11.652 2.690 8.249 519 1HA GLY 70 1HA GLY 70 13.035 1.590 9.817 520 2HA GLY 70 2HA GLY 70 11.909 1.963 11.129 521 H ILE 71 H ILE 71 11.153 0.625 7.911 522 HA ILE 71 HA ILE 71 9.619 -1.574 9.063 523 HB ILE 71 HB ILE 71 10.375 -0.842 6.206 524 1HG1 ILE 71 2HG1 ILE 71 7.815 -0.460 7.846 525 2HG1 ILE 71 1HG1 ILE 71 8.950 0.813 7.387 526 1HG2 ILE 71 1HG2 ILE 71 9.904 -3.265 6.408 527 2HG2 ILE 71 2HG2 ILE 71 8.605 -2.457 5.548 528 3HG2 ILE 71 3HG2 ILE 71 8.383 -2.904 7.253 529 1HD1 ILE 71 1HD1 ILE 71 7.191 0.991 5.844 530 2HD1 ILE 71 2HD1 ILE 71 7.151 -0.749 5.519 531 3HD1 ILE 71 3HD1 ILE 71 8.538 0.221 4.980 532 H ARG 72 HN ARG 72 10.807 -3.085 10.070 533 HA ARG 72 HA ARG 72 13.519 -3.721 9.358 534 1HB ARG 72 2HB ARG 72 12.608 -3.785 11.640 535 2HB ARG 72 1HB ARG 72 11.521 -5.112 11.197 536 1HG ARG 72 2HG ARG 72 13.421 -6.600 10.767 537 2HG ARG 72 1HG ARG 72 14.568 -5.280 11.071 538 1HD ARG 72 2HD ARG 72 12.581 -6.423 13.084 539 2HD ARG 72 1HD ARG 72 14.309 -6.830 12.997 540 HE ARG 72 HE ARG 72 14.164 -4.037 13.187 541 1HH1 ARG 72 1HH1 ARG 72 13.347 -6.844 15.160 542 2HH1 ARG 72 2HH1 ARG 72 13.558 -6.024 16.683 543 1HH2 ARG 72 1HH2 ARG 72 14.442 -2.938 15.165 544 2HH2 ARG 72 2HH2 ARG 72 14.200 -3.758 16.682 545 H SER 73 H SER 73 10.379 -5.093 8.401 546 HA SER 73 HA SER 73 11.691 -6.782 6.457 547 1HB SER 73 2HB SER 73 9.881 -8.103 8.531 548 2HB SER 73 1HB SER 73 10.735 -8.887 7.194 549 HG SER 73 HG SER 73 12.649 -7.755 8.442 550 H ILE 74 H ILE 74 9.953 -7.732 5.025 551 HA ILE 74 HA ILE 74 7.503 -6.066 5.031 552 HB ILE 74 HB ILE 74 7.617 -6.290 2.518 553 1HG1 ILE 74 1HG1 ILE 74 10.556 -6.849 2.837 554 2HG1 ILE 74 2HG1 ILE 74 9.376 -8.146 2.557 555 1HG2 ILE 74 1HG2 ILE 74 9.081 -4.342 2.312 556 2HG2 ILE 74 2HG2 ILE 74 8.165 -4.223 3.809 557 3HG2 ILE 74 3HG2 ILE 74 9.869 -4.719 3.854 558 1HD1 ILE 74 1HD1 ILE 74 9.838 -5.770 0.726 559 2HD1 ILE 74 2HD1 ILE 74 8.553 -6.977 0.527 560 3HD1 ILE 74 3HD1 ILE 74 10.249 -7.456 0.406 561 HA PRO 75 HA PRO 75 5.548 -6.582 3.094 562 1HB PRO 75 1HB PRO 75 3.014 -7.275 3.826 563 2HB PRO 75 2HB PRO 75 3.884 -8.022 2.477 564 1HG PRO 75 1HG PRO 75 3.670 -9.090 5.306 565 2HG PRO 75 2HG PRO 75 3.386 -9.976 3.774 566 1HD PRO 75 2HD PRO 75 5.755 -10.164 5.064 567 2HD PRO 75 1HD PRO 75 5.772 -9.971 3.306 568 H THR 76 H THR 76 4.244 -4.864 3.760 569 HA THR 76 HA THR 76 3.410 -4.364 6.449 570 HB THR 76 HB THR 76 5.841 -2.881 5.346 571 HG1 THR 76 HG1 THR 76 5.908 -4.825 6.846 572 1HG2 THR 76 1HG2 THR 76 3.945 -2.093 7.608 573 2HG2 THR 76 2HG2 THR 76 4.287 -1.162 6.128 574 3HG2 THR 76 3HG2 THR 76 5.549 -1.385 7.351 575 H ILE 77 H ILE 77 1.549 -3.258 6.067 576 HA ILE 77 HA ILE 77 1.104 -2.068 3.364 577 HB ILE 77 HB ILE 77 -0.680 -3.665 5.245 578 1HG1 ILE 77 2HG1 ILE 77 0.312 -4.174 2.397 579 2HG1 ILE 77 1HG1 ILE 77 0.983 -4.925 3.845 580 1HG2 ILE 77 1HG2 ILE 77 -2.418 -3.376 3.507 581 2HG2 ILE 77 2HG2 ILE 77 -1.310 -2.272 2.637 582 3HG2 ILE 77 3HG2 ILE 77 -1.984 -1.834 4.226 583 1HD1 ILE 77 1HD1 ILE 77 -1.313 -5.896 4.315 584 2HD1 ILE 77 2HD1 ILE 77 -0.469 -6.520 2.881 585 3HD1 ILE 77 3HD1 ILE 77 -1.778 -5.353 2.680 586 H MET 78 H MET 78 1.172 0.102 3.574 587 HA MET 78 HA MET 78 0.152 1.350 6.121 588 1HB MET 78 1HB MET 78 2.057 2.413 4.030 589 2HB MET 78 2HB MET 78 1.404 3.350 5.382 590 1HG MET 78 1HG MET 78 2.393 1.754 6.972 591 2HG MET 78 2HG MET 78 3.113 0.858 5.634 592 1HE MET 78 1HE MET 78 5.213 1.113 7.341 593 2HE MET 78 2HE MET 78 5.962 2.675 7.734 594 3HE MET 78 3HE MET 78 4.368 2.270 8.400 595 H VAL 79 H VAL 79 -1.581 2.628 6.064 596 HA VAL 79 HA VAL 79 -2.832 3.270 3.412 597 HB VAL 79 HB VAL 79 -4.065 3.192 6.178 598 1HG1 VAL 79 1HG1 VAL 79 -5.462 1.405 5.191 599 2HG1 VAL 79 2HG1 VAL 79 -3.748 0.955 5.106 600 3HG1 VAL 79 3HG1 VAL 79 -4.579 1.560 3.657 601 1HG2 VAL 79 1HG2 VAL 79 -5.256 4.030 3.500 602 2HG2 VAL 79 2HG2 VAL 79 -6.177 3.757 4.995 603 3HG2 VAL 79 3HG2 VAL 79 -5.017 5.077 4.906 604 H PHE 80 H PHE 80 -2.123 5.240 2.765 605 HA PHE 80 HA PHE 80 -1.545 7.357 4.804 606 1HB PHE 80 1HB PHE 80 -0.949 7.130 1.837 607 2HB PHE 80 2HB PHE 80 -0.744 8.610 2.760 608 HD1 PHE 80 HD1 PHE 80 0.459 5.116 2.417 609 HD2 PHE 80 HD2 PHE 80 1.009 8.873 4.431 610 HE1 PHE 80 HE1 PHE 80 2.727 4.392 3.163 611 HE2 PHE 80 HE2 PHE 80 3.222 8.129 5.234 612 HZ PHE 80 HZ PHE 80 4.077 5.851 4.620 613 H LYS 81 HN LYS 81 -2.783 9.221 4.899 614 HA LYS 81 HA LYS 81 -5.076 9.493 3.006 615 1HB LYS 81 2HB LYS 81 -6.723 9.527 4.633 616 2HB LYS 81 1HB LYS 81 -5.733 8.136 5.050 617 1HG LYS 81 2HG LYS 81 -6.091 10.755 6.493 618 2HG LYS 81 1HG LYS 81 -6.293 9.122 7.089 619 1HD LYS 81 1HD LYS 81 -3.776 8.807 6.886 620 2HD LYS 81 2HD LYS 81 -3.648 10.524 6.476 621 1HE LYS 81 2HE LYS 81 -4.755 9.414 9.089 622 2HE LYS 81 1HE LYS 81 -3.191 10.208 8.848 623 1HZ LYS 81 1HZ LYS 81 -4.753 11.726 9.717 624 2HZ LYS 81 2HZ LYS 81 -4.351 12.184 8.185 625 3HZ LYS 81 3HZ LYS 81 -5.805 11.467 8.477 626 H GLY 82 H GLY 82 -2.911 10.917 2.656 627 1HA GLY 82 2HA GLY 82 -2.804 13.246 2.082 628 2HA GLY 82 1HA GLY 82 -3.755 13.640 3.526 629 H GLY 83 H GLY 83 -0.594 12.385 2.458 630 1HA GLY 83 2HA GLY 83 1.508 12.799 3.256 631 2HA GLY 83 1HA GLY 83 0.847 13.966 4.399 632 H LYS 84 HN LYS 84 -0.624 12.693 6.094 633 HA LYS 84 HA LYS 84 1.266 10.983 7.568 634 1HB LYS 84 1HB LYS 84 -1.499 11.992 8.335 635 2HB LYS 84 2HB LYS 84 -0.300 11.293 9.428 636 1HG LYS 84 2HG LYS 84 -0.030 13.932 7.903 637 2HG LYS 84 1HG LYS 84 -0.379 13.729 9.623 638 1HD LYS 84 1HD LYS 84 1.844 12.557 9.891 639 2HD LYS 84 2HD LYS 84 2.206 12.943 8.194 640 1HE LYS 84 1HE LYS 84 1.948 15.364 8.684 641 2HE LYS 84 2HE LYS 84 1.616 14.983 10.385 642 1HZ LYS 84 1HZ LYS 84 3.886 15.581 10.037 643 2HZ LYS 84 2HZ LYS 84 3.790 14.011 10.526 644 3HZ LYS 84 3HZ LYS 84 4.099 14.365 8.946 645 H LYS 85 HN LYS 85 0.466 9.107 8.737 646 HA LYS 85 HA LYS 85 -0.863 7.219 6.898 647 1HB LYS 85 2HB LYS 85 0.572 6.797 9.535 648 2HB LYS 85 1HB LYS 85 -0.094 5.523 8.492 649 1HG LYS 85 2HG LYS 85 1.386 6.355 6.636 650 2HG LYS 85 1HG LYS 85 2.212 7.394 7.811 651 1HD LYS 85 2HD LYS 85 2.047 4.355 7.689 652 2HD LYS 85 1HD LYS 85 3.496 5.358 7.598 653 1HE LYS 85 1HE LYS 85 1.727 4.878 10.045 654 2HE LYS 85 2HE LYS 85 3.348 4.235 9.771 655 1HZ LYS 85 1HZ LYS 85 4.197 6.465 9.798 656 2HZ LYS 85 2HZ LYS 85 2.690 7.082 10.058 657 3HZ LYS 85 3HZ LYS 85 3.400 6.132 11.202 658 H CYS 86 H CYS 86 -2.535 5.953 7.566 659 HA CYS 86 HA CYS 86 -4.283 6.942 9.797 660 1HB CYS 86 1HB CYS 86 -5.230 7.113 7.479 661 2HB CYS 86 2HB CYS 86 -5.037 5.385 7.273 662 HG CYS 86 HG CYS 86 -6.320 5.050 9.799 663 H GLU 87 HN GLU 87 -3.382 4.086 7.887 664 HA GLU 87 HA GLU 87 -3.468 2.368 10.335 665 1HB GLU 87 1HB GLU 87 -4.262 1.455 7.550 666 2HB GLU 87 2HB GLU 87 -4.358 0.549 9.052 667 1HG GLU 87 1HG GLU 87 -6.002 3.038 8.391 668 2HG GLU 87 2HG GLU 87 -6.569 1.384 8.331 669 H THR 88 H THR 88 -2.043 0.525 10.184 670 HA THR 88 HA THR 88 -0.046 0.293 8.077 671 HB THR 88 HB THR 88 0.727 1.100 10.905 672 HG1 THR 88 HG1 THR 88 0.297 2.538 8.835 673 1HG2 THR 88 1HG2 THR 88 3.082 0.819 10.097 674 2HG2 THR 88 2HG2 THR 88 2.227 -0.724 10.217 675 3HG2 THR 88 3HG2 THR 88 2.467 0.031 8.628 676 H ILE 89 H ILE 89 -0.842 -1.700 7.697 677 HA ILE 89 HA ILE 89 -1.345 -3.571 9.961 678 HB ILE 89 HB ILE 89 -2.311 -3.813 7.085 679 1HG1 ILE 89 2HG1 ILE 89 -3.748 -2.392 9.378 680 2HG1 ILE 89 1HG1 ILE 89 -3.124 -1.623 7.908 681 1HG2 ILE 89 1HG2 ILE 89 -2.418 -5.818 8.642 682 2HG2 ILE 89 2HG2 ILE 89 -3.470 -4.874 9.708 683 3HG2 ILE 89 3HG2 ILE 89 -3.988 -5.299 8.062 684 1HD1 ILE 89 1HD1 ILE 89 -5.418 -3.581 8.021 685 2HD1 ILE 89 2HD1 ILE 89 -4.635 -3.012 6.523 686 3HD1 ILE 89 3HD1 ILE 89 -5.440 -1.861 7.607 687 H ILE 90 H ILE 90 -0.451 -5.694 9.811 688 HA ILE 90 HA ILE 90 2.032 -5.894 8.223 689 HB ILE 90 HB ILE 90 0.710 -7.771 10.250 690 1HG1 ILE 90 2HG1 ILE 90 2.805 -7.179 11.578 691 2HG1 ILE 90 1HG1 ILE 90 3.091 -5.857 10.442 692 1HG2 ILE 90 1HG2 ILE 90 3.400 -7.953 8.823 693 2HG2 ILE 90 2HG2 ILE 90 2.910 -8.962 10.197 694 3HG2 ILE 90 3HG2 ILE 90 2.040 -9.092 8.678 695 1HD1 ILE 90 1HD1 ILE 90 1.124 -4.688 11.252 696 2HD1 ILE 90 2HD1 ILE 90 0.535 -6.152 12.087 697 3HD1 ILE 90 3HD1 ILE 90 1.978 -5.300 12.664 698 H GLY 91 H GLY 91 2.270 -7.622 6.609 699 1HA GLY 91 1HA GLY 91 -0.162 -8.027 5.040 700 2HA GLY 91 2HA GLY 91 1.443 -8.632 4.662 701 H ALA 92 H ALA 92 0.423 -10.631 4.049 702 HA ALA 92 HA ALA 92 -0.303 -12.765 4.317 703 1HB ALA 92 1HB ALA 92 0.516 -14.020 6.225 704 2HB ALA 92 2HB ALA 92 1.780 -12.902 5.683 705 3HB ALA 92 3HB ALA 92 0.835 -12.543 7.146 706 H VAL 93 H VAL 93 -2.274 -10.985 4.441 707 HA VAL 93 HA VAL 93 -4.226 -12.107 6.369 708 HB VAL 93 HB VAL 93 -5.028 -9.522 5.449 709 1HG1 VAL 93 1HG1 VAL 93 -3.504 -8.035 6.699 710 2HG1 VAL 93 2HG1 VAL 93 -2.594 -8.873 5.438 711 3HG1 VAL 93 3HG1 VAL 93 -2.480 -9.414 7.132 712 1HG2 VAL 93 1HG2 VAL 93 -4.555 -10.449 8.246 713 2HG2 VAL 93 2HG2 VAL 93 -5.471 -9.012 7.707 714 3HG2 VAL 93 3HG2 VAL 93 -6.043 -10.625 7.285 715 HA PRO 94 HA PRO 94 -6.222 -12.497 2.318 716 1HB PRO 94 2HB PRO 94 -8.881 -12.186 3.542 717 2HB PRO 94 1HB PRO 94 -8.235 -13.584 2.663 718 1HG PRO 94 2HG PRO 94 -8.625 -13.651 5.418 719 2HG PRO 94 1HG PRO 94 -7.214 -14.459 4.665 720 1HD PRO 94 1HD PRO 94 -7.341 -11.668 5.832 721 2HD PRO 94 2HD PRO 94 -6.159 -12.920 6.244 722 H LYS 95 HN LYS 95 -6.900 -10.820 0.886 723 HA LYS 95 HA LYS 95 -6.798 -8.209 2.059 724 1HB LYS 95 2HB LYS 95 -5.927 -8.558 -0.173 725 2HB LYS 95 1HB LYS 95 -7.510 -9.067 -0.793 726 1HG LYS 95 1HG LYS 95 -8.357 -6.935 -0.836 727 2HG LYS 95 2HG LYS 95 -7.398 -6.362 0.516 728 1HD LYS 95 1HD LYS 95 -6.198 -6.832 -2.239 729 2HD LYS 95 2HD LYS 95 -6.847 -5.303 -1.637 730 1HE LYS 95 2HE LYS 95 -5.251 -5.644 0.414 731 2HE LYS 95 1HE LYS 95 -4.396 -6.771 -0.650 732 1HZ LYS 95 1HZ LYS 95 -4.182 -4.941 -2.211 733 2HZ LYS 95 2HZ LYS 95 -4.990 -3.936 -1.190 734 3HZ LYS 95 3HZ LYS 95 -3.528 -4.553 -0.753 735 H ALA 96 H ALA 96 -9.442 -10.436 1.578 736 HA ALA 96 HA ALA 96 -11.632 -8.624 1.443 737 1HB ALA 96 1HB ALA 96 -11.393 -11.255 2.983 738 2HB ALA 96 2HB ALA 96 -11.891 -11.073 1.286 739 3HB ALA 96 3HB ALA 96 -12.907 -10.415 2.584 740 H THR 97 H THR 97 -9.821 -9.903 4.284 741 HA THR 97 HA THR 97 -11.144 -8.516 6.335 742 HB THR 97 HB THR 97 -8.198 -9.304 6.111 743 HG1 THR 97 HG1 THR 97 -10.490 -10.845 6.786 744 1HG2 THR 97 1HG2 THR 97 -8.685 -8.083 8.182 745 2HG2 THR 97 2HG2 THR 97 -10.038 -9.187 8.535 746 3HG2 THR 97 3HG2 THR 97 -8.368 -9.796 8.504 747 H ILE 98 H ILE 98 -8.299 -7.640 4.343 748 HA ILE 98 HA ILE 98 -7.720 -5.160 5.617 749 HB ILE 98 HB ILE 98 -7.169 -6.134 2.781 750 1HG1 ILE 98 2HG1 ILE 98 -5.492 -6.110 5.335 751 2HG1 ILE 98 1HG1 ILE 98 -6.186 -7.536 4.556 752 1HG2 ILE 98 1HG2 ILE 98 -5.470 -4.358 2.686 753 2HG2 ILE 98 2HG2 ILE 98 -5.947 -3.796 4.307 754 3HG2 ILE 98 3HG2 ILE 98 -7.052 -3.643 2.924 755 1HD1 ILE 98 1HD1 ILE 98 -4.793 -7.015 2.505 756 2HD1 ILE 98 2HD1 ILE 98 -3.892 -7.481 3.957 757 3HD1 ILE 98 3HD1 ILE 98 -3.963 -5.782 3.485 758 H VAL 99 H VAL 99 -9.773 -5.873 2.720 759 HA VAL 99 HA VAL 99 -10.539 -3.224 2.150 760 HB VAL 99 HB VAL 99 -12.014 -5.874 1.794 761 1HG1 VAL 99 1HG2 VAL 99 -13.753 -4.152 1.833 762 2HG1 VAL 99 2HG2 VAL 99 -12.770 -3.093 0.804 763 3HG1 VAL 99 3HG2 VAL 99 -13.443 -4.602 0.155 764 1HG2 VAL 99 1HG1 VAL 99 -10.683 -4.017 -0.210 765 2HG2 VAL 99 2HG1 VAL 99 -9.881 -5.435 0.478 766 3HG2 VAL 99 3HG1 VAL 99 -11.338 -5.649 -0.505 767 H GLN 100 H GLN 100 -12.240 -5.656 4.238 768 HA GLN 100 HA GLN 100 -14.265 -3.878 5.160 769 1HB GLN 100 2HB GLN 100 -12.860 -6.159 6.633 770 2HB GLN 100 1HB GLN 100 -14.354 -5.384 7.154 771 1HG GLN 100 2HG GLN 100 -13.970 -6.968 4.564 772 2HG GLN 100 1HG GLN 100 -14.791 -7.522 6.022 773 1HE2 GLN 100 1HE2 GLN 100 -14.921 -5.182 3.341 774 2HE2 GLN 100 2HE2 GLN 100 -16.668 -4.961 3.408 775 H THR 101 H THR 101 -11.014 -4.442 6.426 776 HA THR 101 HA THR 101 -11.218 -2.666 8.665 777 HB THR 101 HB THR 101 -8.718 -3.462 7.094 778 HG1 THR 101 HG1 THR 101 -9.869 -5.260 7.856 779 1HG2 THR 101 1HG2 THR 101 -9.102 -2.432 9.936 780 2HG2 THR 101 2HG2 THR 101 -8.211 -1.633 8.618 781 3HG2 THR 101 3HG2 THR 101 -7.602 -3.143 9.310 782 H VAL 102 H VAL 102 -10.487 -1.984 5.187 783 HA VAL 102 HA VAL 102 -9.844 0.811 5.848 784 HB VAL 102 HB VAL 102 -10.497 -0.560 3.241 785 1HG1 VAL 102 1HG1 VAL 102 -8.077 -0.132 2.760 786 2HG1 VAL 102 2HG1 VAL 102 -7.898 0.568 4.373 787 3HG1 VAL 102 3HG1 VAL 102 -8.288 -1.159 4.179 788 1HG2 VAL 102 1HG2 VAL 102 -9.605 1.684 2.285 789 2HG2 VAL 102 2HG2 VAL 102 -9.797 2.345 3.904 790 3HG2 VAL 102 3HG2 VAL 102 -11.206 1.754 2.991 791 H GLU 103 HN GLU 103 -12.668 -0.949 4.547 792 HA GLU 103 HA GLU 103 -14.311 1.198 3.958 793 1HB GLU 103 1HB GLU 103 -15.015 -1.564 5.011 794 2HB GLU 103 2HB GLU 103 -16.198 -0.418 4.399 795 1HG GLU 103 2HG GLU 103 -13.869 -1.484 2.738 796 2HG GLU 103 1HG GLU 103 -15.510 -2.131 2.711 797 H LYS 104 HN LYS 104 -13.989 -0.414 7.127 798 HA LYS 104 HA LYS 104 -15.914 1.115 8.516 799 1HB LYS 104 1HB LYS 104 -14.546 0.674 10.568 800 2HB LYS 104 2HB LYS 104 -14.900 -0.758 9.597 801 1HG LYS 104 1HG LYS 104 -12.704 -0.886 8.800 802 2HG LYS 104 2HG LYS 104 -12.289 0.766 9.291 803 1HD LYS 104 2HD LYS 104 -11.208 -0.811 10.747 804 2HD LYS 104 1HD LYS 104 -12.397 0.134 11.655 805 1HE LYS 104 2HE LYS 104 -13.992 -1.751 11.591 806 2HE LYS 104 1HE LYS 104 -12.896 -2.678 10.548 807 1HZ LYS 104 1HZ LYS 104 -11.309 -2.685 12.328 808 2HZ LYS 104 2HZ LYS 104 -12.737 -3.341 12.823 809 3HZ LYS 104 3HZ LYS 104 -12.324 -1.818 13.295 810 H TYR 105 H TYR 105 -12.772 2.233 7.353 811 HA TYR 105 HA TYR 105 -12.979 4.784 8.877 812 1HB TYR 105 2HB TYR 105 -10.761 3.843 7.006 813 2HB TYR 105 1HB TYR 105 -10.719 5.165 8.160 814 HD1 TYR 105 HD1 TYR 105 -11.504 4.286 10.698 815 HD2 TYR 105 HD2 TYR 105 -9.281 2.118 7.707 816 HE1 TYR 105 HE1 TYR 105 -10.558 2.817 12.459 817 HE2 TYR 105 HE2 TYR 105 -8.481 0.568 9.446 818 HH TYR 105 HH TYR 105 -7.920 0.620 11.764 819 H LEU 106 H LEU 106 -13.879 3.444 5.818 820 HA LEU 106 HA LEU 106 -14.140 6.088 4.593 821 1HB LEU 106 1HB LEU 106 -11.712 5.291 4.396 822 2HB LEU 106 2HB LEU 106 -12.278 3.970 3.398 823 HG LEU 106 HG LEU 106 -11.225 5.837 2.296 824 1HD1 LEU 106 1HD2 LEU 106 -13.679 7.537 2.898 825 2HD1 LEU 106 2HD2 LEU 106 -12.240 8.014 1.984 826 3HD1 LEU 106 3HD2 LEU 106 -12.108 7.679 3.721 827 1HD2 LEU 106 1HD1 LEU 106 -14.123 5.575 1.329 828 2HD2 LEU 106 2HD1 LEU 106 -12.741 6.093 0.368 829 3HD2 LEU 106 3HD1 LEU 106 -12.815 4.435 0.986 830 H ASN 107 H ASN 107 -16.402 5.521 4.545 831 HA ASN 107 HA ASN 107 -17.250 4.032 2.267 832 1HB ASN 107 2HB ASN 107 -16.977 2.263 4.093 833 2HB ASN 107 1HB ASN 107 -18.175 3.145 5.045 834 1HD2 ASN 107 2HD2 ASN 107 -19.870 3.754 2.573 835 2HD2 ASN 107 1HD2 ASN 107 -20.589 2.191 2.164 Start of MODEL 20 1 1H MET 1 1H MET 1 -0.599 -2.338 -10.902 2 2H MET 1 2H MET 1 -1.106 -3.872 -10.677 3 3H MET 1 3H MET 1 0.193 -3.588 -11.678 4 HA MET 1 HA MET 1 -1.306 -2.369 -13.163 5 1HB MET 1 1HB MET 1 -0.881 -4.695 -13.714 6 2HB MET 1 2HB MET 1 -2.010 -5.268 -12.479 7 1HG MET 1 2HG MET 1 -2.880 -5.358 -14.848 8 2HG MET 1 1HG MET 1 -3.909 -4.523 -13.693 9 1HE MET 1 1HE MET 1 -1.571 -4.225 -16.772 10 2HE MET 1 2HE MET 1 -1.483 -2.470 -17.039 11 3HE MET 1 3HE MET 1 -0.662 -3.192 -15.639 12 H GLU 2 HN GLU 2 -3.118 -1.065 -13.061 13 HA GLU 2 HA GLU 2 -4.920 0.009 -12.201 14 1HB GLU 2 2HB GLU 2 -5.630 -2.512 -10.607 15 2HB GLU 2 1HB GLU 2 -6.608 -1.066 -10.832 16 1HG GLU 2 1HG GLU 2 -6.671 -1.475 -13.278 17 2HG GLU 2 2HG GLU 2 -5.713 -2.948 -13.056 18 H ALA 3 H ALA 3 -3.614 -2.063 -9.619 19 HA ALA 3 HA ALA 3 -3.096 0.096 -7.766 20 1HB ALA 3 1HB ALA 3 -3.200 -2.308 -7.050 21 2HB ALA 3 2HB ALA 3 -1.772 -2.644 -8.039 22 3HB ALA 3 3HB ALA 3 -1.647 -1.555 -6.641 23 H GLY 4 H GLY 4 -1.368 1.531 -7.879 24 1HA GLY 4 2HA GLY 4 0.407 1.453 -10.217 25 2HA GLY 4 1HA GLY 4 0.355 2.678 -8.941 26 H ALA 5 H ALA 5 2.827 2.082 -9.671 27 HA ALA 5 HA ALA 5 3.921 0.308 -7.543 28 1HB ALA 5 1HB ALA 5 4.267 -0.751 -9.736 29 2HB ALA 5 2HB ALA 5 5.801 -0.168 -9.056 30 3HB ALA 5 3HB ALA 5 5.002 0.745 -10.355 31 H VAL 6 H VAL 6 5.472 1.413 -6.258 32 HA VAL 6 HA VAL 6 6.412 4.060 -7.260 33 HB VAL 6 HB VAL 6 5.994 4.969 -4.898 34 1HG1 VAL 6 1HG1 VAL 6 5.475 2.914 -3.740 35 2HG1 VAL 6 2HG1 VAL 6 4.022 2.651 -4.731 36 3HG1 VAL 6 3HG1 VAL 6 4.123 4.037 -3.631 37 1HG2 VAL 6 1HG2 VAL 6 4.742 5.802 -6.761 38 2HG2 VAL 6 2HG2 VAL 6 3.615 4.435 -6.676 39 3HG2 VAL 6 3HG2 VAL 6 3.702 5.611 -5.342 40 H ASN 7 H ASN 7 7.997 5.067 -5.964 41 HA ASN 7 HA ASN 7 9.693 3.461 -4.256 42 1HB ASN 7 2HB ASN 7 11.035 3.006 -6.216 43 2HB ASN 7 1HB ASN 7 10.429 4.490 -6.971 44 1HD2 ASN 7 1HD2 ASN 7 13.209 3.330 -4.973 45 2HD2 ASN 7 2HD2 ASN 7 13.803 4.973 -4.827 46 H ASP 8 HN ASP 8 11.324 5.103 -3.407 47 HA ASP 8 HA ASP 8 10.209 7.076 -1.918 48 1HB ASP 8 1HB ASP 8 12.368 7.999 -1.558 49 2HB ASP 8 2HB ASP 8 12.571 6.253 -1.823 50 H ASP 9 HN ASP 9 11.615 7.650 -5.056 51 HA ASP 9 HA ASP 9 11.193 10.411 -5.358 52 1HB ASP 9 2HB ASP 9 12.452 9.045 -6.955 53 2HB ASP 9 1HB ASP 9 10.998 8.218 -7.485 54 H THR 10 H THR 10 9.052 7.919 -6.764 55 HA THR 10 HA THR 10 6.968 9.765 -7.468 56 HB THR 10 HB THR 10 5.765 7.550 -7.932 57 HG1 THR 10 HG1 THR 10 7.331 5.779 -7.951 58 1HG2 THR 10 1HG2 THR 10 7.091 8.787 -9.637 59 2HG2 THR 10 2HG2 THR 10 8.553 7.925 -9.124 60 3HG2 THR 10 3HG2 THR 10 7.206 7.032 -9.857 61 H PHE 11 H PHE 11 7.410 7.492 -4.860 62 HA PHE 11 HA PHE 11 5.093 7.244 -3.512 63 1HB PHE 11 1HB PHE 11 7.249 6.337 -2.815 64 2HB PHE 11 2HB PHE 11 7.826 7.915 -2.374 65 HD1 PHE 11 HD1 PHE 11 7.359 8.865 -0.202 66 HD2 PHE 11 HD2 PHE 11 5.408 5.240 -1.479 67 HE1 PHE 11 HE1 PHE 11 6.609 8.447 2.113 68 HE2 PHE 11 HE2 PHE 11 4.702 4.798 0.851 69 HZ PHE 11 HZ PHE 11 5.238 6.434 2.644 70 H LYS 12 HN LYS 12 7.293 9.961 -3.214 71 HA LYS 12 HA LYS 12 6.089 11.621 -1.352 72 1HB LYS 12 1HB LYS 12 7.353 12.291 -4.038 73 2HB LYS 12 2HB LYS 12 6.787 13.541 -2.938 74 1HG LYS 12 1HG LYS 12 8.249 12.595 -1.129 75 2HG LYS 12 2HG LYS 12 8.736 11.291 -2.218 76 1HD LYS 12 2HD LYS 12 9.682 13.055 -3.793 77 2HD LYS 12 1HD LYS 12 9.342 14.255 -2.529 78 1HE LYS 12 2HE LYS 12 11.632 13.616 -2.218 79 2HE LYS 12 1HE LYS 12 10.733 12.785 -0.938 80 1HZ LYS 12 1HZ LYS 12 10.746 10.815 -2.377 81 2HZ LYS 12 2HZ LYS 12 11.644 11.627 -3.486 82 3HZ LYS 12 3HZ LYS 12 12.271 11.317 -1.997 83 H ASN 13 H ASN 13 5.265 11.900 -4.844 84 HA ASN 13 HA ASN 13 2.939 13.565 -4.201 85 1HB ASN 13 2HB ASN 13 4.515 12.827 -6.562 86 2HB ASN 13 1HB ASN 13 2.817 12.518 -6.880 87 1HD2 ASN 13 2HD2 ASN 13 4.379 15.106 -4.806 88 2HD2 ASN 13 1HD2 ASN 13 3.806 16.417 -5.813 89 H VAL 14 H VAL 14 3.545 10.264 -5.166 90 HA VAL 14 HA VAL 14 0.744 9.677 -5.697 91 HB VAL 14 HB VAL 14 3.218 7.917 -5.447 92 1HG1 VAL 14 1HG1 VAL 14 3.148 7.940 -7.923 93 2HG1 VAL 14 2HG1 VAL 14 1.737 9.014 -7.887 94 3HG1 VAL 14 3HG1 VAL 14 3.313 9.590 -7.319 95 1HG2 VAL 14 1HG2 VAL 14 1.817 6.323 -6.858 96 2HG2 VAL 14 2HG2 VAL 14 1.321 6.470 -5.163 97 3HG2 VAL 14 3HG2 VAL 14 0.409 7.318 -6.433 98 H VAL 15 H VAL 15 2.605 9.656 -2.768 99 HA VAL 15 HA VAL 15 0.406 8.230 -1.355 100 HB VAL 15 HB VAL 15 3.362 8.041 -0.689 101 1HG1 VAL 15 1HG1 VAL 15 2.657 6.239 0.775 102 2HG1 VAL 15 2HG1 VAL 15 0.963 6.482 0.318 103 3HG1 VAL 15 3HG1 VAL 15 1.858 7.738 1.210 104 1HG2 VAL 15 1HG2 VAL 15 1.601 6.128 -2.268 105 2HG2 VAL 15 2HG2 VAL 15 3.149 5.686 -1.544 106 3HG2 VAL 15 3HG2 VAL 15 3.077 6.919 -2.809 107 H LEU 16 H LEU 16 3.117 10.569 -0.914 108 HA LEU 16 HA LEU 16 1.932 11.355 1.666 109 1HB LEU 16 1HB LEU 16 4.218 12.684 0.187 110 2HB LEU 16 2HB LEU 16 3.709 12.950 1.844 111 HG LEU 16 HG LEU 16 4.827 10.344 0.712 112 1HD1 LEU 16 1HD1 LEU 16 6.468 12.198 0.920 113 2HD1 LEU 16 2HD1 LEU 16 6.020 12.396 2.624 114 3HD1 LEU 16 3HD1 LEU 16 6.796 10.895 2.074 115 1HD2 LEU 16 1HD2 LEU 16 3.300 9.780 2.519 116 2HD2 LEU 16 2HD2 LEU 16 4.939 9.696 3.162 117 3HD2 LEU 16 3HD2 LEU 16 3.928 11.102 3.533 118 H GLU 17 HN GLU 17 2.645 13.377 -1.266 119 HA GLU 17 HA GLU 17 0.691 15.340 -0.284 120 1HB GLU 17 1HB GLU 17 2.127 15.366 -2.966 121 2HB GLU 17 2HB GLU 17 1.370 16.695 -2.107 122 1HG GLU 17 2HG GLU 17 3.506 17.173 -1.537 123 2HG GLU 17 1HG GLU 17 3.150 16.079 -0.199 124 H SER 18 H SER 18 -0.620 12.891 -0.774 125 HA SER 18 HA SER 18 -2.029 13.121 -3.353 126 1HB SER 18 1HB SER 18 -2.318 11.062 -1.143 127 2HB SER 18 2HB SER 18 -2.835 10.921 -2.835 128 HG SER 18 HG SER 18 -0.393 11.414 -3.197 129 H SER 19 H SER 19 -4.156 13.753 -3.550 130 HA SER 19 HA SER 19 -5.420 15.236 -1.406 131 1HB SER 19 2HB SER 19 -7.154 15.404 -3.346 132 2HB SER 19 1HB SER 19 -5.550 16.126 -3.606 133 HG SER 19 HG SER 19 -6.163 14.776 -5.373 134 H VAL 20 H VAL 20 -6.271 12.461 -3.477 135 HA VAL 20 HA VAL 20 -8.384 11.536 -1.646 136 HB VAL 20 HB VAL 20 -8.279 9.455 -3.135 137 1HG1 VAL 20 1HG1 VAL 20 -6.554 11.158 -4.972 138 2HG1 VAL 20 2HG1 VAL 20 -5.959 9.783 -4.013 139 3HG1 VAL 20 3HG1 VAL 20 -7.187 9.533 -5.261 140 1HG2 VAL 20 1HG2 VAL 20 -9.457 10.508 -5.004 141 2HG2 VAL 20 2HG2 VAL 20 -9.999 11.118 -3.437 142 3HG2 VAL 20 3HG2 VAL 20 -8.916 12.106 -4.455 143 HA PRO 21 HA PRO 21 -5.626 9.171 0.841 144 1HB PRO 21 1HB PRO 21 -7.026 6.908 1.560 145 2HB PRO 21 2HB PRO 21 -7.433 8.536 2.174 146 1HG PRO 21 1HG PRO 21 -8.697 7.090 -0.168 147 2HG PRO 21 2HG PRO 21 -9.506 7.894 1.204 148 1HD PRO 21 1HD PRO 21 -9.182 9.113 -1.199 149 2HD PRO 21 2HD PRO 21 -9.017 10.061 0.291 150 H VAL 22 H VAL 22 -4.512 7.084 0.923 151 HA VAL 22 HA VAL 22 -4.174 5.758 -1.704 152 HB VAL 22 HB VAL 22 -2.033 6.878 0.157 153 1HG1 VAL 22 1HG1 VAL 22 -0.435 6.333 -1.547 154 2HG1 VAL 22 2HG1 VAL 22 -1.294 4.872 -1.150 155 3HG1 VAL 22 3HG1 VAL 22 -1.668 5.762 -2.642 156 1HG2 VAL 22 1HG2 VAL 22 -3.210 8.015 -2.397 157 2HG2 VAL 22 2HG2 VAL 22 -1.643 8.509 -1.773 158 3HG2 VAL 22 3HG2 VAL 22 -3.082 8.777 -0.803 159 H LEU 23 H LEU 23 -3.446 3.622 -1.554 160 HA LEU 23 HA LEU 23 -3.106 2.359 1.139 161 1HB LEU 23 2HB LEU 23 -5.311 1.916 0.090 162 2HB LEU 23 1HB LEU 23 -4.560 1.192 -1.299 163 HG LEU 23 HG LEU 23 -3.854 0.120 1.446 164 1HD1 LEU 23 1HD2 LEU 23 -2.683 -0.899 -0.475 165 2HD1 LEU 23 2HD2 LEU 23 -3.854 -2.057 0.154 166 3HD1 LEU 23 3HD2 LEU 23 -4.226 -1.148 -1.316 167 1HD2 LEU 23 1HD1 LEU 23 -6.297 0.300 1.505 168 2HD2 LEU 23 2HD1 LEU 23 -6.413 -0.549 -0.057 169 3HD2 LEU 23 3HD1 LEU 23 -5.797 -1.393 1.381 170 H VAL 24 H VAL 24 -0.813 2.182 1.025 171 HA VAL 24 HA VAL 24 0.333 1.192 -1.571 172 HB VAL 24 HB VAL 24 1.153 3.311 -1.247 173 1HG1 VAL 24 1HG2 VAL 24 2.299 4.034 0.860 174 2HG1 VAL 24 2HG2 VAL 24 0.538 3.876 0.966 175 3HG1 VAL 24 3HG2 VAL 24 1.592 2.620 1.657 176 1HG2 VAL 24 1HG1 VAL 24 3.305 1.509 -0.071 177 2HG2 VAL 24 2HG1 VAL 24 2.871 1.590 -1.795 178 3HG2 VAL 24 3HG1 VAL 24 3.520 3.019 -0.971 179 H ASP 25 HN ASP 25 0.935 -0.851 -1.586 180 HA ASP 25 HA ASP 25 1.442 -2.319 0.942 181 1HB ASP 25 2HB ASP 25 -0.024 -3.407 -0.665 182 2HB ASP 25 1HB ASP 25 1.204 -3.247 -1.921 183 H PHE 26 H PHE 26 3.486 -2.368 1.722 184 HA PHE 26 HA PHE 26 5.790 -1.696 -0.008 185 1HB PHE 26 1HB PHE 26 5.465 -2.461 2.920 186 2HB PHE 26 2HB PHE 26 7.017 -2.254 2.138 187 HD1 PHE 26 HD1 PHE 26 3.751 -0.273 2.357 188 HD2 PHE 26 HD2 PHE 26 8.075 -0.210 2.455 189 HE1 PHE 26 HE1 PHE 26 3.715 2.115 2.869 190 HE2 PHE 26 HE2 PHE 26 8.005 2.158 3.132 191 HZ PHE 26 HZ PHE 26 5.785 3.274 3.541 192 H TRP 27 H TRP 27 6.429 -3.268 -1.398 193 HA TRP 27 HA TRP 27 6.292 -6.127 -0.519 194 1HB TRP 27 2HB TRP 27 5.448 -6.764 -2.659 195 2HB TRP 27 1HB TRP 27 4.427 -5.451 -2.120 196 HD1 TRP 27 HD1 TRP 27 5.294 -2.966 -3.213 197 HE1 TRP 27 HE1 TRP 27 6.383 -2.400 -5.493 198 HE3 TRP 27 HE3 TRP 27 6.406 -7.710 -4.780 199 HZ2 TRP 27 HZ2 TRP 27 7.798 -3.836 -7.557 200 HZ3 TRP 27 HZ3 TRP 27 7.536 -8.066 -6.931 201 HH2 TRP 27 HH2 TRP 27 8.212 -6.146 -8.346 202 H ALA 28 H ALA 28 7.426 -7.401 -2.479 203 HA ALA 28 HA ALA 28 9.539 -6.090 -3.831 204 1HB ALA 28 1HB ALA 28 10.699 -6.122 -1.629 205 2HB ALA 28 2HB ALA 28 11.470 -7.231 -2.775 206 3HB ALA 28 3HB ALA 28 10.405 -7.879 -1.513 207 HA PRO 29 HA PRO 29 8.732 -9.811 -6.181 208 1HB PRO 29 1HB PRO 29 11.249 -10.394 -7.250 209 2HB PRO 29 2HB PRO 29 10.073 -9.204 -7.890 210 1HG PRO 29 2HG PRO 29 12.428 -8.676 -6.053 211 2HG PRO 29 1HG PRO 29 11.956 -7.773 -7.524 212 1HD PRO 29 2HD PRO 29 11.228 -6.778 -5.144 213 2HD PRO 29 1HD PRO 29 10.030 -6.867 -6.421 214 H TRP 30 H TRP 30 11.734 -9.983 -4.186 215 HA TRP 30 HA TRP 30 11.618 -12.852 -3.930 216 1HB TRP 30 2HB TRP 30 13.246 -12.487 -2.100 217 2HB TRP 30 1HB TRP 30 13.692 -11.711 -3.613 218 HD1 TRP 30 HD1 TRP 30 14.274 -9.243 -3.539 219 HE1 TRP 30 HE1 TRP 30 14.274 -7.378 -1.790 220 HE3 TRP 30 HE3 TRP 30 11.847 -11.688 0.267 221 HZ2 TRP 30 HZ2 TRP 30 13.188 -6.930 0.843 222 HZ3 TRP 30 HZ3 TRP 30 11.276 -10.484 2.345 223 HH2 TRP 30 HH2 TRP 30 11.857 -8.086 2.612 224 H CYS 31 H CYS 31 9.639 -10.374 -2.481 225 HA CYS 31 HA CYS 31 9.322 -11.810 0.082 226 1HB CYS 31 2HB CYS 31 9.203 -9.427 0.168 227 2HB CYS 31 1HB CYS 31 7.928 -9.388 -1.056 228 H GLY 32 H GLY 32 8.749 -13.834 -0.881 229 1HA GLY 32 1HA GLY 32 6.716 -14.688 -2.397 230 2HA GLY 32 2HA GLY 32 7.041 -15.443 -0.831 231 HA PRO 33 HA PRO 33 3.122 -14.270 0.686 232 1HB PRO 33 1HB PRO 33 3.263 -12.771 2.942 233 2HB PRO 33 2HB PRO 33 3.725 -14.499 2.867 234 1HG PRO 33 1HG PRO 33 5.470 -12.077 2.633 235 2HG PRO 33 2HG PRO 33 5.757 -13.490 3.695 236 1HD PRO 33 1HD PRO 33 7.029 -13.325 1.335 237 2HD PRO 33 2HD PRO 33 6.327 -14.891 1.821 238 H CYS 34 H CYS 34 5.171 -11.568 -0.231 239 HA CYS 34 HA CYS 34 2.968 -9.605 -0.236 240 1HB CYS 34 2HB CYS 34 5.652 -9.351 -1.624 241 2HB CYS 34 1HB CYS 34 4.445 -8.129 -1.254 242 H ARG 35 HN ARG 35 5.001 -11.517 -2.435 243 HA ARG 35 HA ARG 35 4.012 -10.786 -4.928 244 1HB ARG 35 1HB ARG 35 5.971 -12.390 -4.104 245 2HB ARG 35 2HB ARG 35 4.782 -13.662 -4.367 246 1HG ARG 35 1HG ARG 35 5.787 -11.601 -6.391 247 2HG ARG 35 2HG ARG 35 6.289 -13.288 -6.290 248 1HD ARG 35 2HD ARG 35 3.528 -12.261 -7.053 249 2HD ARG 35 1HD ARG 35 4.714 -12.995 -8.108 250 HE ARG 35 HE ARG 35 4.558 -15.056 -6.633 251 1HH1 ARG 35 2HH1 ARG 35 1.680 -12.993 -6.868 252 2HH1 ARG 35 1HH1 ARG 35 0.621 -14.306 -7.293 253 1HH2 ARG 35 1HH2 ARG 35 3.124 -16.777 -6.902 254 2HH2 ARG 35 2HH2 ARG 35 1.419 -16.495 -7.115 255 H ILE 36 H ILE 36 2.883 -13.464 -2.828 256 HA ILE 36 HA ILE 36 0.805 -14.284 -4.607 257 HB ILE 36 HB ILE 36 -0.129 -15.514 -2.723 258 1HG1 ILE 36 1HG1 ILE 36 1.911 -13.985 -1.074 259 2HG1 ILE 36 2HG1 ILE 36 0.152 -13.815 -0.962 260 1HG2 ILE 36 1HG2 ILE 36 2.929 -15.616 -2.777 261 2HG2 ILE 36 2HG2 ILE 36 1.821 -16.941 -2.387 262 3HG2 ILE 36 3HG2 ILE 36 1.877 -16.284 -4.027 263 1HD1 ILE 36 1HD1 ILE 36 0.830 -15.140 0.858 264 2HD1 ILE 36 2HD1 ILE 36 -0.049 -16.175 -0.289 265 3HD1 ILE 36 3HD1 ILE 36 1.735 -16.258 -0.187 266 H ILE 37 H ILE 37 0.663 -11.781 -2.000 267 HA ILE 37 HA ILE 37 -2.205 -11.438 -2.513 268 HB ILE 37 HB ILE 37 -2.132 -9.553 -1.013 269 1HG1 ILE 37 2HG1 ILE 37 0.828 -10.068 -0.656 270 2HG1 ILE 37 1HG1 ILE 37 0.172 -8.713 -1.594 271 1HG2 ILE 37 1HG2 ILE 37 -1.709 -10.820 0.999 272 2HG2 ILE 37 2HG2 ILE 37 -0.568 -11.891 0.166 273 3HG2 ILE 37 3HG2 ILE 37 -2.300 -11.949 -0.218 274 1HD1 ILE 37 1HD1 ILE 37 -0.191 -9.184 1.384 275 2HD1 ILE 37 2HD1 ILE 37 -1.008 -7.909 0.445 276 3HD1 ILE 37 3HD1 ILE 37 0.761 -7.919 0.589 277 H ALA 38 H ALA 38 0.737 -9.936 -3.816 278 HA ALA 38 HA ALA 38 -0.018 -7.606 -4.816 279 1HB ALA 38 1HB ALA 38 2.134 -8.724 -5.295 280 2HB ALA 38 2HB ALA 38 1.371 -9.669 -6.587 281 3HB ALA 38 3HB ALA 38 1.450 -7.914 -6.711 282 HA PRO 39 HA PRO 39 -2.664 -9.161 -8.574 283 1HB PRO 39 2HB PRO 39 -3.758 -11.747 -7.538 284 2HB PRO 39 1HB PRO 39 -3.257 -11.326 -9.198 285 1HG PRO 39 1HG PRO 39 -1.699 -12.939 -7.657 286 2HG PRO 39 2HG PRO 39 -0.940 -11.650 -8.648 287 1HD PRO 39 1HD PRO 39 -1.775 -11.485 -5.740 288 2HD PRO 39 2HD PRO 39 -0.165 -11.171 -6.405 289 H VAL 40 H VAL 40 -3.394 -10.143 -5.258 290 HA VAL 40 HA VAL 40 -6.199 -9.497 -5.213 291 HB VAL 40 HB VAL 40 -4.292 -10.634 -3.402 292 1HG1 VAL 40 1HG2 VAL 40 -5.850 -8.345 -2.133 293 2HG1 VAL 40 2HG2 VAL 40 -4.080 -8.447 -2.228 294 3HG1 VAL 40 3HG2 VAL 40 -4.974 -9.624 -1.276 295 1HG2 VAL 40 1HG1 VAL 40 -7.264 -10.184 -3.198 296 2HG2 VAL 40 2HG1 VAL 40 -6.459 -11.546 -4.001 297 3HG2 VAL 40 3HG1 VAL 40 -6.308 -11.339 -2.243 298 H VAL 41 H VAL 41 -3.163 -7.770 -4.404 299 HA VAL 41 HA VAL 41 -4.420 -5.376 -3.600 300 HB VAL 41 HB VAL 41 -1.659 -5.655 -4.908 301 1HG1 VAL 41 1HG1 VAL 41 -2.410 -5.824 -1.961 302 2HG1 VAL 41 2HG1 VAL 41 -0.759 -5.772 -2.620 303 3HG1 VAL 41 3HG1 VAL 41 -1.788 -7.148 -2.952 304 1HG2 VAL 41 1HG2 VAL 41 -2.331 -3.319 -4.802 305 2HG2 VAL 41 2HG2 VAL 41 -2.841 -3.499 -3.106 306 3HG2 VAL 41 3HG2 VAL 41 -1.131 -3.617 -3.545 307 H ASP 42 HN ASP 42 -3.321 -6.493 -6.814 308 HA ASP 42 HA ASP 42 -3.940 -4.161 -8.317 309 1HB ASP 42 1HB ASP 42 -4.072 -7.082 -9.189 310 2HB ASP 42 2HB ASP 42 -4.169 -5.700 -10.259 311 H GLU 43 HN GLU 43 -6.115 -7.090 -7.799 312 HA GLU 43 HA GLU 43 -8.292 -5.782 -9.106 313 1HB GLU 43 1HB GLU 43 -9.693 -7.475 -8.110 314 2HB GLU 43 2HB GLU 43 -8.256 -8.185 -8.848 315 1HG GLU 43 1HG GLU 43 -7.223 -8.430 -6.688 316 2HG GLU 43 2HG GLU 43 -8.580 -7.664 -5.847 317 H ILE 44 H ILE 44 -7.312 -5.781 -5.605 318 HA ILE 44 HA ILE 44 -9.555 -4.371 -4.637 319 HB ILE 44 HB ILE 44 -6.618 -4.370 -3.834 320 1HG1 ILE 44 2HG1 ILE 44 -9.164 -5.469 -2.561 321 2HG1 ILE 44 1HG1 ILE 44 -8.064 -6.424 -3.522 322 1HG2 ILE 44 1HG2 ILE 44 -7.223 -3.169 -1.779 323 2HG2 ILE 44 2HG2 ILE 44 -8.899 -3.009 -2.338 324 3HG2 ILE 44 3HG2 ILE 44 -7.573 -2.157 -3.161 325 1HD1 ILE 44 1HD1 ILE 44 -7.471 -5.146 -0.837 326 2HD1 ILE 44 2HD1 ILE 44 -7.522 -6.864 -1.232 327 3HD1 ILE 44 3HD1 ILE 44 -6.212 -5.857 -1.876 328 H ALA 45 H ALA 45 -6.572 -3.119 -6.258 329 HA ALA 45 HA ALA 45 -7.339 -0.376 -6.152 330 1HB ALA 45 1HB ALA 45 -5.957 -1.711 -8.504 331 2HB ALA 45 2HB ALA 45 -5.142 -1.342 -6.990 332 3HB ALA 45 3HB ALA 45 -5.840 -0.032 -7.980 333 H GLY 46 H GLY 46 -7.981 -2.883 -8.663 334 1HA GLY 46 1HA GLY 46 -9.561 -1.458 -10.444 335 2HA GLY 46 2HA GLY 46 -9.820 -3.167 -10.035 336 H GLU 47 HN GLU 47 -10.644 -2.954 -7.359 337 HA GLU 47 HA GLU 47 -13.393 -2.138 -7.640 338 1HB GLU 47 2HB GLU 47 -11.747 -2.971 -5.221 339 2HB GLU 47 1HB GLU 47 -13.503 -2.767 -5.215 340 1HG GLU 47 1HG GLU 47 -13.776 -4.522 -6.882 341 2HG GLU 47 2HG GLU 47 -12.037 -4.723 -7.054 342 H TYR 48 H TYR 48 -10.747 -0.808 -5.637 343 HA TYR 48 HA TYR 48 -12.493 1.446 -4.792 344 1HB TYR 48 2HB TYR 48 -9.775 0.486 -3.850 345 2HB TYR 48 1HB TYR 48 -10.634 1.889 -3.219 346 HD1 TYR 48 HD1 TYR 48 -10.746 -1.820 -3.331 347 HD2 TYR 48 HD2 TYR 48 -12.452 1.793 -1.716 348 HE1 TYR 48 HE1 TYR 48 -11.851 -3.137 -1.550 349 HE2 TYR 48 HE2 TYR 48 -13.532 0.482 0.072 350 HH TYR 48 HH TYR 48 -13.891 -1.603 0.955 351 H LYS 49 HN LYS 49 -10.610 1.104 -7.451 352 HA LYS 49 HA LYS 49 -8.906 3.118 -7.774 353 1HB LYS 49 1HB LYS 49 -9.668 3.286 -10.142 354 2HB LYS 49 2HB LYS 49 -9.514 1.620 -9.589 355 1HG LYS 49 1HG LYS 49 -11.989 1.555 -9.181 356 2HG LYS 49 2HG LYS 49 -12.124 3.191 -9.848 357 1HD LYS 49 1HD LYS 49 -11.117 2.370 -11.992 358 2HD LYS 49 2HD LYS 49 -11.066 0.733 -11.314 359 1HE LYS 49 2HE LYS 49 -13.574 2.404 -11.826 360 2HE LYS 49 1HE LYS 49 -13.030 0.990 -12.745 361 1HZ LYS 49 1HZ LYS 49 -13.917 1.026 -9.950 362 2HZ LYS 49 2HZ LYS 49 -14.679 0.319 -11.229 363 3HZ LYS 49 3HZ LYS 49 -13.238 -0.279 -10.676 364 H ASP 50 HN ASP 50 -8.872 5.288 -8.350 365 HA ASP 50 HA ASP 50 -9.445 7.466 -8.535 366 1HB ASP 50 2HB ASP 50 -11.488 6.634 -9.798 367 2HB ASP 50 1HB ASP 50 -12.403 6.724 -8.298 368 H LYS 51 HN LYS 51 -11.587 5.798 -6.292 369 HA LYS 51 HA LYS 51 -11.798 7.956 -4.406 370 1HB LYS 51 2HB LYS 51 -12.309 4.984 -4.033 371 2HB LYS 51 1HB LYS 51 -12.963 6.307 -3.062 372 1HG LYS 51 1HG LYS 51 -14.297 7.114 -4.932 373 2HG LYS 51 2HG LYS 51 -13.596 5.956 -6.053 374 1HD LYS 51 1HD LYS 51 -15.285 5.237 -3.628 375 2HD LYS 51 2HD LYS 51 -15.849 5.293 -5.300 376 1HE LYS 51 2HE LYS 51 -13.783 3.351 -4.162 377 2HE LYS 51 1HE LYS 51 -15.439 2.989 -4.638 378 1HZ LYS 51 1HZ LYS 51 -13.293 3.835 -6.460 379 2HZ LYS 51 2HZ LYS 51 -13.945 2.327 -6.328 380 3HZ LYS 51 3HZ LYS 51 -14.862 3.574 -6.891 381 H LEU 52 H LEU 52 -9.679 5.170 -4.732 382 HA LEU 52 HA LEU 52 -8.069 6.018 -2.380 383 1HB LEU 52 1HB LEU 52 -9.702 4.193 -1.771 384 2HB LEU 52 2HB LEU 52 -8.986 3.218 -3.063 385 HG LEU 52 HG LEU 52 -6.827 3.158 -1.857 386 1HD1 LEU 52 1HD2 LEU 52 -8.391 4.603 0.339 387 2HD1 LEU 52 2HD2 LEU 52 -6.977 5.228 -0.538 388 3HD1 LEU 52 3HD2 LEU 52 -6.797 3.847 0.546 389 1HD2 LEU 52 1HD1 LEU 52 -8.491 1.368 -1.604 390 2HD2 LEU 52 2HD1 LEU 52 -7.682 1.645 -0.051 391 3HD2 LEU 52 3HD1 LEU 52 -9.316 2.275 -0.319 392 H LYS 53 HN LYS 53 -5.990 6.288 -3.113 393 HA LYS 53 HA LYS 53 -5.249 5.245 -5.730 394 1HB LYS 53 2HB LYS 53 -4.523 7.456 -4.176 395 2HB LYS 53 1HB LYS 53 -3.095 6.444 -4.096 396 1HG LYS 53 1HG LYS 53 -4.453 7.216 -6.695 397 2HG LYS 53 2HG LYS 53 -3.026 7.998 -5.992 398 1HD LYS 53 1HD LYS 53 -1.705 5.962 -6.164 399 2HD LYS 53 2HD LYS 53 -3.100 5.005 -6.657 400 1HE LYS 53 2HE LYS 53 -1.702 5.532 -8.591 401 2HE LYS 53 1HE LYS 53 -3.321 6.228 -8.752 402 1HZ LYS 53 1HZ LYS 53 -0.914 7.689 -7.916 403 2HZ LYS 53 2HZ LYS 53 -2.422 8.332 -8.078 404 3HZ LYS 53 3HZ LYS 53 -1.623 7.760 -9.399 405 H CYS 54 H CYS 54 -5.245 2.986 -5.544 406 HA CYS 54 HA CYS 54 -3.766 1.692 -3.392 407 1HB CYS 54 1HB CYS 54 -5.737 0.624 -4.388 408 2HB CYS 54 2HB CYS 54 -4.896 0.600 -5.959 409 HG CYS 54 HG CYS 54 -4.799 -1.824 -4.972 410 H VAL 55 H VAL 55 -1.644 1.023 -3.400 411 HA VAL 55 HA VAL 55 -0.117 1.096 -5.929 412 HB VAL 55 HB VAL 55 1.429 2.450 -3.861 413 1HG1 VAL 55 1HG1 VAL 55 -0.712 3.321 -2.978 414 2HG1 VAL 55 2HG1 VAL 55 -1.073 3.993 -4.593 415 3HG1 VAL 55 3HG1 VAL 55 0.328 4.564 -3.678 416 1HG2 VAL 55 1HG2 VAL 55 1.941 2.540 -6.241 417 2HG2 VAL 55 2HG2 VAL 55 0.387 3.355 -6.570 418 3HG2 VAL 55 3HG2 VAL 55 1.636 4.164 -5.608 419 H LYS 56 HN LYS 56 2.094 0.344 -5.699 420 HA LYS 56 HA LYS 56 2.611 -1.410 -3.357 421 1HB LYS 56 1HB LYS 56 2.335 -2.016 -6.248 422 2HB LYS 56 2HB LYS 56 3.770 -2.711 -5.511 423 1HG LYS 56 2HG LYS 56 2.492 -3.764 -3.753 424 2HG LYS 56 1HG LYS 56 0.995 -2.986 -4.303 425 1HD LYS 56 2HD LYS 56 2.618 -4.979 -5.952 426 2HD LYS 56 1HD LYS 56 1.247 -5.404 -4.910 427 1HE LYS 56 2HE LYS 56 -0.201 -3.805 -6.230 428 2HE LYS 56 1HE LYS 56 1.148 -3.583 -7.359 429 1HZ LYS 56 1HZ LYS 56 -0.245 -6.104 -6.775 430 2HZ LYS 56 2HZ LYS 56 1.074 -5.956 -7.761 431 3HZ LYS 56 3HZ LYS 56 -0.343 -5.209 -8.146 432 H LEU 57 H LEU 57 4.378 -0.669 -2.310 433 HA LEU 57 HA LEU 57 6.365 0.939 -3.833 434 1HB LEU 57 1HB LEU 57 5.568 1.924 -1.751 435 2HB LEU 57 2HB LEU 57 6.177 0.542 -0.831 436 HG LEU 57 HG LEU 57 8.203 1.765 -2.650 437 1HD1 LEU 57 1HD2 LEU 57 8.832 0.129 -0.926 438 2HD1 LEU 57 2HD2 LEU 57 9.541 1.703 -0.544 439 3HD1 LEU 57 3HD2 LEU 57 8.117 1.162 0.329 440 1HD2 LEU 57 1HD1 LEU 57 7.051 3.422 -0.390 441 2HD2 LEU 57 2HD1 LEU 57 8.573 3.753 -1.247 442 3HD2 LEU 57 3HD1 LEU 57 7.048 3.811 -2.134 443 H ASN 58 H ASN 58 8.081 0.027 -4.641 444 HA ASN 58 HA ASN 58 8.741 -2.740 -3.965 445 1HB ASN 58 2HB ASN 58 9.029 -1.893 -6.261 446 2HB ASN 58 1HB ASN 58 10.256 -0.750 -5.693 447 1HD2 ASN 58 2HD2 ASN 58 9.810 -3.910 -6.941 448 2HD2 ASN 58 1HD2 ASN 58 11.375 -4.546 -6.469 449 H THR 59 H THR 59 9.428 -3.049 -2.009 450 HA THR 59 HA THR 59 11.173 -1.172 -0.580 451 HB THR 59 HB THR 59 9.931 -3.803 0.305 452 HG1 THR 59 HG1 THR 59 8.411 -2.171 -0.497 453 1HG2 THR 59 1HG2 THR 59 11.616 -3.039 1.901 454 2HG2 THR 59 2HG2 THR 59 11.037 -1.368 1.766 455 3HG2 THR 59 3HG2 THR 59 10.035 -2.601 2.559 456 H ASP 60 HN ASP 60 12.484 -2.013 -2.701 457 HA ASP 60 HA ASP 60 14.808 -3.408 -1.513 458 1HB ASP 60 1HB ASP 60 13.304 -5.057 -2.764 459 2HB ASP 60 2HB ASP 60 13.741 -4.216 -4.261 460 H GLU 61 HN GLU 61 13.329 -1.905 -4.319 461 HA GLU 61 HA GLU 61 15.553 -0.263 -5.143 462 1HB GLU 61 2HB GLU 61 13.659 -1.188 -6.593 463 2HB GLU 61 1HB GLU 61 12.568 -0.068 -5.748 464 1HG GLU 61 1HG GLU 61 13.184 0.827 -7.887 465 2HG GLU 61 2HG GLU 61 13.826 1.865 -6.623 466 H SER 62 H SER 62 12.803 0.047 -2.907 467 HA SER 62 HA SER 62 13.698 2.790 -2.236 468 1HB SER 62 2HB SER 62 11.638 2.661 -3.697 469 2HB SER 62 1HB SER 62 10.809 1.758 -2.426 470 HG SER 62 HG SER 62 11.124 3.507 -1.043 471 HA PRO 63 HA PRO 63 13.395 0.290 1.689 472 1HB PRO 63 1HB PRO 63 16.047 0.344 2.347 473 2HB PRO 63 2HB PRO 63 15.348 -0.930 1.296 474 1HG PRO 63 1HG PRO 63 16.852 1.571 0.483 475 2HG PRO 63 2HG PRO 63 17.053 -0.088 -0.152 476 1HD PRO 63 2HD PRO 63 15.547 1.784 -1.469 477 2HD PRO 63 1HD PRO 63 15.032 0.103 -1.429 478 H ASN 64 H ASN 64 14.973 3.161 0.457 479 HA ASN 64 HA ASN 64 15.607 4.740 2.583 480 1HB ASN 64 1HB ASN 64 13.919 5.691 0.218 481 2HB ASN 64 2HB ASN 64 14.975 6.670 1.237 482 1HD2 ASN 64 1HD2 ASN 64 16.690 7.301 -0.065 483 2HD2 ASN 64 2HD2 ASN 64 17.535 6.208 -1.148 484 H VAL 65 H VAL 65 12.352 4.535 1.165 485 HA VAL 65 HA VAL 65 10.988 6.093 3.093 486 HB VAL 65 HB VAL 65 10.009 3.845 1.268 487 1HG1 VAL 65 1HG2 VAL 65 8.444 6.075 2.621 488 2HG1 VAL 65 2HG2 VAL 65 7.810 4.839 1.502 489 3HG1 VAL 65 3HG2 VAL 65 8.388 4.370 3.102 490 1HG2 VAL 65 1HG1 VAL 65 11.074 5.661 0.002 491 2HG2 VAL 65 2HG1 VAL 65 10.165 6.876 0.921 492 3HG2 VAL 65 3HG1 VAL 65 9.317 5.769 -0.179 493 H ALA 66 H ALA 66 11.289 2.569 2.752 494 HA ALA 66 HA ALA 66 9.804 1.821 5.040 495 1HB ALA 66 1HB ALA 66 12.261 0.430 3.878 496 2HB ALA 66 2HB ALA 66 10.577 0.230 3.338 497 3HB ALA 66 3HB ALA 66 11.063 -0.298 4.959 498 H SER 67 H SER 67 13.219 2.793 4.799 499 HA SER 67 HA SER 67 13.876 2.278 7.554 500 1HB SER 67 1HB SER 67 15.243 4.163 5.580 501 2HB SER 67 2HB SER 67 15.926 3.472 7.060 502 HG SER 67 HG SER 67 15.069 2.037 4.751 503 H GLU 68 HN GLU 68 12.993 5.209 5.731 504 HA GLU 68 HA GLU 68 13.192 7.120 7.814 505 1HB GLU 68 2HB GLU 68 11.368 6.943 5.384 506 2HB GLU 68 1HB GLU 68 11.440 8.363 6.426 507 1HG GLU 68 2HG GLU 68 13.641 8.903 5.819 508 2HG GLU 68 1HG GLU 68 14.008 7.284 5.232 509 H TYR 69 H TYR 69 10.411 5.064 6.833 510 HA TYR 69 HA TYR 69 8.749 6.084 9.030 511 1HB TYR 69 2HB TYR 69 8.448 3.985 6.868 512 2HB TYR 69 1HB TYR 69 7.362 4.008 8.244 513 HD1 TYR 69 HD1 TYR 69 8.390 5.840 5.199 514 HD2 TYR 69 HD2 TYR 69 5.873 5.948 8.695 515 HE1 TYR 69 HE1 TYR 69 7.426 7.993 4.444 516 HE2 TYR 69 HE2 TYR 69 4.905 8.093 7.931 517 HH TYR 69 HH TYR 69 5.180 9.877 6.461 518 H GLY 70 H GLY 70 10.835 3.257 8.494 519 1HA GLY 70 2HA GLY 70 11.998 2.141 10.187 520 2HA GLY 70 1HA GLY 70 10.916 2.802 11.420 521 H ILE 71 H ILE 71 10.429 0.963 8.385 522 HA ILE 71 HA ILE 71 8.353 -0.695 9.608 523 HB ILE 71 HB ILE 71 9.653 -0.634 6.855 524 1HG1 ILE 71 2HG1 ILE 71 6.996 0.355 8.001 525 2HG1 ILE 71 1HG1 ILE 71 8.334 1.353 7.412 526 1HG2 ILE 71 1HG2 ILE 71 7.799 -2.130 6.137 527 2HG2 ILE 71 2HG2 ILE 71 8.863 -2.894 7.296 528 3HG2 ILE 71 3HG2 ILE 71 7.276 -2.284 7.830 529 1HD1 ILE 71 1HD1 ILE 71 8.017 0.247 5.149 530 2HD1 ILE 71 2HD1 ILE 71 6.758 1.384 5.686 531 3HD1 ILE 71 3HD1 ILE 71 6.458 -0.359 5.760 532 H ARG 72 HN ARG 72 8.499 -2.790 10.256 533 HA ARG 72 HA ARG 72 11.140 -3.772 10.949 534 1HB ARG 72 2HB ARG 72 9.255 -3.935 12.465 535 2HB ARG 72 1HB ARG 72 8.348 -4.954 11.339 536 1HG ARG 72 1HG ARG 72 11.110 -5.852 12.187 537 2HG ARG 72 2HG ARG 72 9.812 -5.944 13.369 538 1HD ARG 72 1HD ARG 72 8.457 -7.364 12.055 539 2HD ARG 72 2HD ARG 72 9.494 -7.237 10.648 540 HE ARG 72 HE ARG 72 9.813 -8.960 12.926 541 1HH1 ARG 72 1HH1 ARG 72 11.740 -7.190 10.494 542 2HH1 ARG 72 2HH1 ARG 72 13.041 -8.339 10.534 543 1HH2 ARG 72 2HH2 ARG 72 11.537 -10.421 12.970 544 2HH2 ARG 72 1HH2 ARG 72 12.940 -10.183 11.965 545 H SER 73 H SER 73 8.616 -4.754 8.555 546 HA SER 73 HA SER 73 10.518 -5.998 6.884 547 1HB SER 73 1HB SER 73 10.314 -7.829 8.686 548 2HB SER 73 2HB SER 73 8.609 -7.973 8.221 549 HG SER 73 HG SER 73 10.941 -8.477 6.685 550 H ILE 74 H ILE 74 8.823 -7.667 5.496 551 HA ILE 74 HA ILE 74 6.475 -6.006 4.772 552 HB ILE 74 HB ILE 74 7.078 -6.378 2.336 553 1HG1 ILE 74 1HG1 ILE 74 9.853 -7.016 3.376 554 2HG1 ILE 74 2HG1 ILE 74 8.734 -8.159 2.613 555 1HG2 ILE 74 1HG2 ILE 74 8.423 -4.388 2.244 556 2HG2 ILE 74 2HG2 ILE 74 7.376 -4.221 3.651 557 3HG2 ILE 74 3HG2 ILE 74 9.079 -4.669 3.872 558 1HD1 ILE 74 1HD1 ILE 74 8.633 -6.477 0.639 559 2HD1 ILE 74 2HD1 ILE 74 10.094 -5.763 1.371 560 3HD1 ILE 74 3HD1 ILE 74 10.095 -7.436 0.822 561 HA PRO 75 HA PRO 75 4.897 -6.462 2.803 562 1HB PRO 75 1HB PRO 75 2.286 -7.146 2.955 563 2HB PRO 75 2HB PRO 75 3.394 -7.881 1.793 564 1HG PRO 75 1HG PRO 75 2.615 -9.009 4.514 565 2HG PRO 75 2HG PRO 75 2.625 -9.862 2.930 566 1HD PRO 75 1HD PRO 75 4.667 -10.056 4.722 567 2HD PRO 75 2HD PRO 75 4.970 -9.988 2.967 568 H THR 76 H THR 76 3.598 -4.732 3.370 569 HA THR 76 HA THR 76 2.280 -4.435 5.912 570 HB THR 76 HB THR 76 5.001 -3.148 5.478 571 HG1 THR 76 HG1 THR 76 4.518 -5.156 6.764 572 1HG2 THR 76 1HG2 THR 76 3.488 -1.285 6.056 573 2HG2 THR 76 2HG2 THR 76 2.799 -2.245 7.389 574 3HG2 THR 76 3HG2 THR 76 4.491 -1.715 7.449 575 H ILE 77 H ILE 77 0.541 -3.442 5.200 576 HA ILE 77 HA ILE 77 0.573 -1.794 2.740 577 HB ILE 77 HB ILE 77 -1.663 -3.111 4.319 578 1HG1 ILE 77 1HG1 ILE 77 -0.590 -3.839 1.560 579 2HG1 ILE 77 2HG1 ILE 77 -0.082 -4.664 3.036 580 1HG2 ILE 77 1HG2 ILE 77 -3.096 -2.448 2.405 581 2HG2 ILE 77 2HG2 ILE 77 -2.402 -1.029 3.174 582 3HG2 ILE 77 3HG2 ILE 77 -1.707 -1.626 1.654 583 1HD1 ILE 77 1HD1 ILE 77 -2.910 -4.620 1.941 584 2HD1 ILE 77 2HD1 ILE 77 -2.420 -5.289 3.519 585 3HD1 ILE 77 3HD1 ILE 77 -1.784 -5.982 2.014 586 H MET 78 H MET 78 0.903 0.368 3.204 587 HA MET 78 HA MET 78 -0.123 1.416 5.832 588 1HB MET 78 1HB MET 78 1.823 2.592 3.858 589 2HB MET 78 2HB MET 78 1.216 3.399 5.312 590 1HG MET 78 1HG MET 78 2.164 1.538 6.679 591 2HG MET 78 2HG MET 78 2.902 0.885 5.223 592 1HE MET 78 1HE MET 78 5.572 2.496 7.799 593 2HE MET 78 2HE MET 78 3.906 2.202 8.343 594 3HE MET 78 3HE MET 78 4.736 0.993 7.335 595 H VAL 79 H VAL 79 -1.612 3.046 5.854 596 HA VAL 79 HA VAL 79 -2.871 3.740 3.242 597 HB VAL 79 HB VAL 79 -4.041 3.805 6.030 598 1HG1 VAL 79 1HG1 VAL 79 -5.514 1.966 5.142 599 2HG1 VAL 79 2HG1 VAL 79 -4.532 1.927 3.666 600 3HG1 VAL 79 3HG1 VAL 79 -3.815 1.484 5.230 601 1HG2 VAL 79 1HG2 VAL 79 -5.001 5.570 4.568 602 2HG2 VAL 79 2HG2 VAL 79 -6.181 4.286 4.859 603 3HG2 VAL 79 3HG2 VAL 79 -5.320 4.357 3.312 604 H PHE 80 H PHE 80 -2.726 5.901 2.653 605 HA PHE 80 HA PHE 80 -1.782 7.901 4.666 606 1HB PHE 80 1HB PHE 80 -0.581 7.306 1.938 607 2HB PHE 80 2HB PHE 80 -0.349 8.834 2.749 608 HD1 PHE 80 HD1 PHE 80 1.259 9.165 4.445 609 HD2 PHE 80 HD2 PHE 80 0.503 5.223 2.888 610 HE1 PHE 80 HE1 PHE 80 3.381 8.383 5.414 611 HE2 PHE 80 HE2 PHE 80 2.791 4.539 3.601 612 HZ PHE 80 HZ PHE 80 4.160 6.041 5.002 613 H LYS 81 HN LYS 81 -2.113 10.126 3.991 614 HA LYS 81 HA LYS 81 -3.574 10.811 1.636 615 1HB LYS 81 2HB LYS 81 -5.694 11.358 2.475 616 2HB LYS 81 1HB LYS 81 -5.424 9.721 3.052 617 1HG LYS 81 2HG LYS 81 -5.318 12.288 4.684 618 2HG LYS 81 1HG LYS 81 -6.515 10.992 4.732 619 1HD LYS 81 1HD LYS 81 -4.540 9.442 5.383 620 2HD LYS 81 2HD LYS 81 -3.655 10.926 5.754 621 1HE LYS 81 2HE LYS 81 -6.295 10.062 7.010 622 2HE LYS 81 1HE LYS 81 -4.697 10.034 7.772 623 1HZ LYS 81 1HZ LYS 81 -5.916 11.956 8.414 624 2HZ LYS 81 2HZ LYS 81 -4.596 12.405 7.536 625 3HZ LYS 81 3HZ LYS 81 -6.094 12.442 6.850 626 H GLY 82 H GLY 82 -3.642 13.213 1.489 627 1HA GLY 82 2HA GLY 82 -2.997 15.348 2.051 628 2HA GLY 82 1HA GLY 82 -3.717 14.884 3.613 629 H GLY 83 H GLY 83 -0.613 13.726 2.202 630 1HA GLY 83 2HA GLY 83 1.550 14.044 2.874 631 2HA GLY 83 1HA GLY 83 1.028 15.442 3.805 632 H LYS 84 HN LYS 84 -0.718 12.611 4.815 633 HA LYS 84 HA LYS 84 1.325 11.925 6.866 634 1HB LYS 84 2HB LYS 84 -1.583 12.644 7.398 635 2HB LYS 84 1HB LYS 84 -0.457 12.051 8.602 636 1HG LYS 84 2HG LYS 84 -0.243 14.690 7.089 637 2HG LYS 84 1HG LYS 84 -0.858 14.523 8.719 638 1HD LYS 84 1HD LYS 84 1.988 13.617 8.088 639 2HD LYS 84 2HD LYS 84 1.601 15.311 8.288 640 1HE LYS 84 2HE LYS 84 2.409 14.430 10.380 641 2HE LYS 84 1HE LYS 84 0.717 14.916 10.555 642 1HZ LYS 84 1HZ LYS 84 1.649 12.162 10.120 643 2HZ LYS 84 2HZ LYS 84 1.231 12.804 11.580 644 3HZ LYS 84 3HZ LYS 84 0.094 12.638 10.404 645 H LYS 85 HN LYS 85 0.689 10.048 8.124 646 HA LYS 85 HA LYS 85 -0.434 7.949 6.366 647 1HB LYS 85 1HB LYS 85 1.859 7.772 7.587 648 2HB LYS 85 2HB LYS 85 0.884 7.506 9.042 649 1HG LYS 85 1HG LYS 85 -0.261 5.581 7.793 650 2HG LYS 85 2HG LYS 85 0.780 5.928 6.420 651 1HD LYS 85 2HD LYS 85 1.722 4.067 7.571 652 2HD LYS 85 1HD LYS 85 2.791 5.447 7.815 653 1HE LYS 85 2HE LYS 85 2.527 4.163 9.893 654 2HE LYS 85 1HE LYS 85 1.815 5.768 10.099 655 1HZ LYS 85 1HZ LYS 85 0.310 3.332 9.464 656 2HZ LYS 85 2HZ LYS 85 -0.327 4.827 9.738 657 3HZ LYS 85 3HZ LYS 85 0.430 4.023 10.959 658 H CYS 86 H CYS 86 -2.153 6.668 7.147 659 HA CYS 86 HA CYS 86 -3.905 7.974 9.189 660 1HB CYS 86 2HB CYS 86 -4.757 7.575 6.845 661 2HB CYS 86 1HB CYS 86 -4.603 5.841 7.120 662 HG CYS 86 HG CYS 86 -6.932 5.927 7.679 663 H GLU 87 HN GLU 87 -3.019 4.708 8.030 664 HA GLU 87 HA GLU 87 -2.237 3.660 10.557 665 1HB GLU 87 1HB GLU 87 -4.235 1.852 10.436 666 2HB GLU 87 2HB GLU 87 -4.301 3.321 11.385 667 1HG GLU 87 2HG GLU 87 -6.386 2.822 10.185 668 2HG GLU 87 1HG GLU 87 -5.740 4.416 9.863 669 H THR 88 H THR 88 -2.576 0.881 9.939 670 HA THR 88 HA THR 88 -1.682 0.498 7.229 671 HB THR 88 HB THR 88 0.387 1.282 8.359 672 HG1 THR 88 HG1 THR 88 0.393 -0.535 6.826 673 1HG2 THR 88 1HG2 THR 88 -0.131 0.607 10.697 674 2HG2 THR 88 2HG2 THR 88 1.431 -0.030 10.159 675 3HG2 THR 88 3HG2 THR 88 0.025 -1.104 10.236 676 H ILE 89 H ILE 89 -1.111 -1.979 7.002 677 HA ILE 89 HA ILE 89 -2.557 -3.704 8.907 678 HB ILE 89 HB ILE 89 -3.085 -3.972 5.917 679 1HG1 ILE 89 2HG1 ILE 89 -4.947 -2.564 7.849 680 2HG1 ILE 89 1HG1 ILE 89 -3.980 -1.730 6.613 681 1HG2 ILE 89 1HG2 ILE 89 -4.561 -4.951 8.411 682 2HG2 ILE 89 2HG2 ILE 89 -4.973 -5.366 6.740 683 3HG2 ILE 89 3HG2 ILE 89 -3.462 -5.930 7.425 684 1HD1 ILE 89 1HD1 ILE 89 -5.076 -3.020 4.823 685 2HD1 ILE 89 2HD1 ILE 89 -6.195 -3.708 6.019 686 3HD1 ILE 89 3HD1 ILE 89 -6.171 -1.965 5.734 687 H ILE 90 H ILE 90 -1.605 -5.825 8.894 688 HA ILE 90 HA ILE 90 1.005 -6.031 7.531 689 HB ILE 90 HB ILE 90 -0.476 -7.971 9.361 690 1HG1 ILE 90 1HG1 ILE 90 1.781 -5.981 9.924 691 2HG1 ILE 90 2HG1 ILE 90 0.112 -5.839 10.489 692 1HG2 ILE 90 1HG2 ILE 90 1.183 -9.088 7.865 693 2HG2 ILE 90 2HG2 ILE 90 1.718 -9.113 9.531 694 3HG2 ILE 90 3HG2 ILE 90 2.429 -7.942 8.399 695 1HD1 ILE 90 1HD1 ILE 90 0.392 -7.996 11.749 696 2HD1 ILE 90 2HD1 ILE 90 2.132 -7.923 11.367 697 3HD1 ILE 90 3HD1 ILE 90 1.382 -6.638 12.319 698 H GLY 91 H GLY 91 1.358 -7.442 5.756 699 1HA GLY 91 1HA GLY 91 -1.049 -8.157 4.216 700 2HA GLY 91 2HA GLY 91 0.606 -8.317 3.686 701 H ALA 92 H ALA 92 0.603 -10.528 3.040 702 HA ALA 92 HA ALA 92 0.250 -12.768 3.106 703 1HB ALA 92 1HB ALA 92 2.123 -12.358 4.806 704 2HB ALA 92 2HB ALA 92 1.225 -13.876 5.005 705 3HB ALA 92 3HB ALA 92 0.906 -12.505 6.078 706 H VAL 93 H VAL 93 -2.207 -11.348 3.316 707 HA VAL 93 HA VAL 93 -3.806 -13.038 5.184 708 HB VAL 93 HB VAL 93 -5.414 -10.887 4.547 709 1HG1 VAL 93 1HG1 VAL 93 -3.497 -9.557 3.645 710 2HG1 VAL 93 2HG1 VAL 93 -4.289 -8.848 5.069 711 3HG1 VAL 93 3HG1 VAL 93 -2.746 -9.666 5.262 712 1HG2 VAL 93 1HG2 VAL 93 -5.439 -11.924 6.606 713 2HG2 VAL 93 2HG2 VAL 93 -5.214 -10.172 6.782 714 3HG2 VAL 93 3HG2 VAL 93 -3.819 -11.271 7.013 715 HA PRO 94 HA PRO 94 -6.389 -13.709 1.534 716 1HB PRO 94 2HB PRO 94 -8.712 -13.791 3.379 717 2HB PRO 94 1HB PRO 94 -8.229 -15.018 2.205 718 1HG PRO 94 2HG PRO 94 -7.840 -15.427 4.909 719 2HG PRO 94 1HG PRO 94 -6.583 -15.924 3.736 720 1HD PRO 94 2HD PRO 94 -6.712 -13.354 5.329 721 2HD PRO 94 1HD PRO 94 -5.344 -14.459 5.182 722 H LYS 95 HN LYS 95 -7.566 -12.129 0.395 723 HA LYS 95 HA LYS 95 -7.497 -9.536 1.387 724 1HB LYS 95 2HB LYS 95 -7.525 -9.639 -0.964 725 2HB LYS 95 1HB LYS 95 -8.680 -10.981 -1.009 726 1HG LYS 95 2HG LYS 95 -10.547 -9.427 -0.575 727 2HG LYS 95 1HG LYS 95 -9.403 -8.065 -0.591 728 1HD LYS 95 2HD LYS 95 -8.854 -8.537 -2.933 729 2HD LYS 95 1HD LYS 95 -9.789 -10.042 -2.891 730 1HE LYS 95 2HE LYS 95 -11.872 -8.744 -2.478 731 2HE LYS 95 1HE LYS 95 -10.946 -7.234 -2.578 732 1HZ LYS 95 1HZ LYS 95 -12.022 -7.811 -4.635 733 2HZ LYS 95 2HZ LYS 95 -10.386 -7.794 -4.815 734 3HZ LYS 95 3HZ LYS 95 -11.188 -9.232 -4.721 735 H ALA 96 H ALA 96 -9.997 -11.927 1.829 736 HA ALA 96 HA ALA 96 -12.265 -10.328 2.348 737 1HB ALA 96 1HB ALA 96 -12.901 -12.073 3.987 738 2HB ALA 96 2HB ALA 96 -12.271 -12.795 2.492 739 3HB ALA 96 3HB ALA 96 -11.250 -12.728 3.948 740 H THR 97 H THR 97 -9.440 -11.001 4.436 741 HA THR 97 HA THR 97 -10.236 -9.563 6.739 742 HB THR 97 HB THR 97 -7.348 -9.722 5.911 743 HG1 THR 97 HG1 THR 97 -7.872 -11.647 5.182 744 1HG2 THR 97 1HG2 THR 97 -7.107 -10.544 8.230 745 2HG2 THR 97 2HG2 THR 97 -8.866 -10.541 8.433 746 3HG2 THR 97 3HG2 THR 97 -7.993 -9.004 8.206 747 H ILE 98 H ILE 98 -8.310 -8.658 3.870 748 HA ILE 98 HA ILE 98 -7.626 -6.015 4.669 749 HB ILE 98 HB ILE 98 -7.913 -7.282 1.891 750 1HG1 ILE 98 2HG1 ILE 98 -6.166 -8.329 3.271 751 2HG1 ILE 98 1HG1 ILE 98 -5.528 -7.446 1.887 752 1HG2 ILE 98 1HG2 ILE 98 -8.106 -4.926 1.537 753 2HG2 ILE 98 2HG2 ILE 98 -6.884 -4.548 2.760 754 3HG2 ILE 98 3HG2 ILE 98 -6.407 -5.316 1.234 755 1HD1 ILE 98 1HD1 ILE 98 -4.094 -7.011 3.749 756 2HD1 ILE 98 2HD1 ILE 98 -5.449 -6.565 4.796 757 3HD1 ILE 98 3HD1 ILE 98 -4.970 -5.515 3.441 758 H VAL 99 H VAL 99 -10.355 -7.192 2.620 759 HA VAL 99 HA VAL 99 -11.517 -4.680 2.096 760 HB VAL 99 HB VAL 99 -12.772 -7.431 2.451 761 1HG1 VAL 99 1HG1 VAL 99 -14.012 -4.877 1.324 762 2HG1 VAL 99 2HG1 VAL 99 -14.697 -6.503 1.132 763 3HG1 VAL 99 3HG1 VAL 99 -14.578 -5.789 2.741 764 1HG2 VAL 99 1HG2 VAL 99 -12.771 -7.450 -0.013 765 2HG2 VAL 99 2HG2 VAL 99 -11.128 -7.143 0.567 766 3HG2 VAL 99 3HG2 VAL 99 -12.104 -5.804 -0.054 767 H GLN 100 H GLN 100 -12.419 -6.983 4.749 768 HA GLN 100 HA GLN 100 -14.282 -5.283 6.029 769 1HB GLN 100 2HB GLN 100 -12.319 -7.269 7.207 770 2HB GLN 100 1HB GLN 100 -13.629 -6.531 8.131 771 1HG GLN 100 1HG GLN 100 -15.334 -7.628 6.909 772 2HG GLN 100 2HG GLN 100 -14.237 -8.099 5.597 773 1HE2 GLN 100 2HE2 GLN 100 -12.325 -9.377 6.247 774 2HE2 GLN 100 1HE2 GLN 100 -12.410 -10.497 7.600 775 H THR 101 H THR 101 -10.794 -5.684 6.737 776 HA THR 101 HA THR 101 -10.565 -3.685 8.702 777 HB THR 101 HB THR 101 -8.475 -4.439 6.618 778 HG1 THR 101 HG1 THR 101 -9.170 -6.250 7.691 779 1HG2 THR 101 1HG2 THR 101 -7.782 -2.463 7.865 780 2HG2 THR 101 2HG2 THR 101 -8.260 -3.208 9.408 781 3HG2 THR 101 3HG2 THR 101 -6.895 -3.867 8.487 782 H VAL 102 H VAL 102 -10.247 -3.237 5.135 783 HA VAL 102 HA VAL 102 -9.621 -0.460 5.203 784 HB VAL 102 HB VAL 102 -10.850 -2.289 3.105 785 1HG1 VAL 102 1HG1 VAL 102 -8.386 -2.485 3.721 786 2HG1 VAL 102 2HG1 VAL 102 -8.690 -2.052 2.029 787 3HG1 VAL 102 3HG1 VAL 102 -8.186 -0.809 3.194 788 1HG2 VAL 102 1HG2 VAL 102 -10.459 -0.453 1.457 789 2HG2 VAL 102 2HG2 VAL 102 -10.182 0.669 2.804 790 3HG2 VAL 102 3HG2 VAL 102 -11.774 -0.091 2.576 791 H GLU 103 HN GLU 103 -12.757 -2.163 4.891 792 HA GLU 103 HA GLU 103 -14.358 0.188 4.777 793 1HB GLU 103 2HB GLU 103 -14.955 -2.610 5.851 794 2HB GLU 103 1HB GLU 103 -16.160 -1.353 5.595 795 1HG GLU 103 2HG GLU 103 -14.390 -2.532 3.398 796 2HG GLU 103 1HG GLU 103 -16.072 -2.973 3.707 797 H LYS 104 HN LYS 104 -13.253 -1.735 7.540 798 HA LYS 104 HA LYS 104 -14.491 -0.314 9.636 799 1HB LYS 104 1HB LYS 104 -13.472 -2.031 10.648 800 2HB LYS 104 2HB LYS 104 -12.362 -2.267 9.328 801 1HG LYS 104 2HG LYS 104 -11.176 -2.085 11.316 802 2HG LYS 104 1HG LYS 104 -10.754 -0.708 10.322 803 1HD LYS 104 2HD LYS 104 -11.966 0.817 11.750 804 2HD LYS 104 1HD LYS 104 -12.896 -0.488 12.493 805 1HE LYS 104 2HE LYS 104 -9.883 -0.071 12.806 806 2HE LYS 104 1HE LYS 104 -11.108 0.514 13.941 807 1HZ LYS 104 1HZ LYS 104 -11.788 -1.747 14.296 808 2HZ LYS 104 2HZ LYS 104 -10.614 -2.301 13.281 809 3HZ LYS 104 3HZ LYS 104 -10.199 -1.531 14.674 810 H TYR 105 H TYR 105 -11.275 0.326 8.117 811 HA TYR 105 HA TYR 105 -10.846 2.707 9.697 812 1HB TYR 105 1HB TYR 105 -9.679 1.962 6.990 813 2HB TYR 105 2HB TYR 105 -9.057 3.167 8.119 814 HD1 TYR 105 HD1 TYR 105 -7.657 0.706 6.820 815 HD2 TYR 105 HD2 TYR 105 -9.338 1.466 10.723 816 HE1 TYR 105 HE1 TYR 105 -5.811 -0.519 7.869 817 HE2 TYR 105 HE2 TYR 105 -7.601 0.048 11.740 818 HH TYR 105 HH TYR 105 -4.747 -1.101 9.917 819 H LEU 106 H LEU 106 -12.204 2.229 6.419 820 HA LEU 106 HA LEU 106 -12.594 5.143 6.072 821 1HB LEU 106 2HB LEU 106 -13.253 2.800 4.259 822 2HB LEU 106 1HB LEU 106 -13.422 4.526 3.893 823 HG LEU 106 HG LEU 106 -10.864 2.923 4.302 824 1HD1 LEU 106 1HD2 LEU 106 -9.607 5.076 3.996 825 2HD1 LEU 106 2HD2 LEU 106 -10.388 4.966 5.572 826 3HD1 LEU 106 3HD2 LEU 106 -11.110 5.971 4.290 827 1HD2 LEU 106 1HD1 LEU 106 -10.435 3.847 2.088 828 2HD2 LEU 106 2HD1 LEU 106 -11.914 4.846 2.203 829 3HD2 LEU 106 3HD1 LEU 106 -12.048 3.067 2.134 830 H ASN 107 H ASN 107 -13.692 5.120 7.898 831 HA ASN 107 HA ASN 107 -16.643 4.969 7.602 832 1HB ASN 107 2HB ASN 107 -15.674 2.920 8.887 833 2HB ASN 107 1HB ASN 107 -15.294 4.062 10.179 834 1HD2 ASN 107 2HD2 ASN 107 -17.711 5.704 9.967 835 2HD2 ASN 107 1HD2 ASN 107 -19.052 4.672 10.486 Start of MODEL 21 1 1H MET 1 1H MET 1 -0.288 -2.067 -11.189 2 2H MET 1 2H MET 1 -1.177 -3.423 -11.276 3 3H MET 1 3H MET 1 0.298 -3.374 -12.046 4 HA MET 1 HA MET 1 -0.496 -1.723 -13.561 5 1HB MET 1 2HB MET 1 -0.847 -4.034 -14.239 6 2HB MET 1 1HB MET 1 -2.359 -4.135 -13.340 7 1HG MET 1 1HG MET 1 -3.349 -2.393 -14.823 8 2HG MET 1 2HG MET 1 -1.814 -2.284 -15.699 9 1HE MET 1 1HE MET 1 -4.806 -2.774 -16.877 10 2HE MET 1 2HE MET 1 -3.349 -2.527 -17.875 11 3HE MET 1 3HE MET 1 -4.406 -3.928 -18.170 12 H GLU 2 HN GLU 2 -3.649 -2.917 -12.194 13 HA GLU 2 HA GLU 2 -4.740 -0.247 -12.217 14 1HB GLU 2 2HB GLU 2 -5.592 -2.743 -10.688 15 2HB GLU 2 1HB GLU 2 -6.568 -1.282 -10.877 16 1HG GLU 2 1HG GLU 2 -5.675 -3.165 -13.115 17 2HG GLU 2 2HG GLU 2 -7.293 -3.027 -12.429 18 H ALA 3 H ALA 3 -3.238 -2.319 -9.756 19 HA ALA 3 HA ALA 3 -3.045 -0.156 -7.774 20 1HB ALA 3 1HB ALA 3 -1.649 -2.860 -8.009 21 2HB ALA 3 2HB ALA 3 -3.074 -2.518 -7.013 22 3HB ALA 3 3HB ALA 3 -1.530 -1.743 -6.628 23 H GLY 4 H GLY 4 -1.446 1.437 -7.974 24 1HA GLY 4 2HA GLY 4 0.357 1.365 -10.244 25 2HA GLY 4 1HA GLY 4 0.328 2.564 -8.942 26 H ALA 5 H ALA 5 2.738 1.643 -9.971 27 HA ALA 5 HA ALA 5 3.888 -0.037 -7.778 28 1HB ALA 5 1HB ALA 5 5.793 -0.361 -9.286 29 2HB ALA 5 2HB ALA 5 4.958 0.548 -10.566 30 3HB ALA 5 3HB ALA 5 4.294 -1.003 -9.993 31 H VAL 6 H VAL 6 4.971 1.234 -6.315 32 HA VAL 6 HA VAL 6 5.809 3.982 -7.178 33 HB VAL 6 HB VAL 6 5.485 4.468 -4.608 34 1HG1 VAL 6 1HG1 VAL 6 4.729 2.241 -3.925 35 2HG1 VAL 6 2HG1 VAL 6 3.344 2.336 -5.015 36 3HG1 VAL 6 3HG1 VAL 6 3.485 3.452 -3.645 37 1HG2 VAL 6 1HG2 VAL 6 3.235 5.331 -5.066 38 2HG2 VAL 6 2HG2 VAL 6 3.210 4.429 -6.599 39 3HG2 VAL 6 3HG2 VAL 6 4.398 5.729 -6.335 40 H ASN 7 H ASN 7 7.462 4.928 -5.926 41 HA ASN 7 HA ASN 7 9.406 3.182 -4.611 42 1HB ASN 7 1HB ASN 7 10.259 3.240 -6.892 43 2HB ASN 7 2HB ASN 7 9.924 4.984 -7.029 44 1HD2 ASN 7 1HD2 ASN 7 11.905 2.570 -5.328 45 2HD2 ASN 7 2HD2 ASN 7 13.256 3.611 -4.971 46 H ASP 8 HN ASP 8 11.024 4.726 -3.641 47 HA ASP 8 HA ASP 8 10.038 6.560 -1.839 48 1HB ASP 8 2HB ASP 8 12.391 5.669 -2.008 49 2HB ASP 8 1HB ASP 8 12.705 6.773 -3.336 50 H ASP 9 HN ASP 9 11.317 7.252 -5.043 51 HA ASP 9 HA ASP 9 10.983 10.039 -5.195 52 1HB ASP 9 2HB ASP 9 12.166 8.700 -6.873 53 2HB ASP 9 1HB ASP 9 10.680 7.924 -7.389 54 H THR 10 H THR 10 8.730 7.680 -6.674 55 HA THR 10 HA THR 10 6.735 9.629 -7.283 56 HB THR 10 HB THR 10 5.401 7.478 -7.765 57 HG1 THR 10 HG1 THR 10 6.884 5.645 -7.863 58 1HG2 THR 10 1HG2 THR 10 8.178 7.753 -9.011 59 2HG2 THR 10 2HG2 THR 10 6.745 8.688 -9.479 60 3HG2 THR 10 3HG2 THR 10 6.779 6.935 -9.731 61 H PHE 11 H PHE 11 7.047 7.296 -4.692 62 HA PHE 11 HA PHE 11 4.715 7.119 -3.346 63 1HB PHE 11 1HB PHE 11 6.804 6.107 -2.660 64 2HB PHE 11 2HB PHE 11 7.515 7.652 -2.287 65 HD1 PHE 11 HD1 PHE 11 4.834 5.282 -1.245 66 HD2 PHE 11 HD2 PHE 11 7.524 8.438 -0.081 67 HE1 PHE 11 HE1 PHE 11 4.235 4.912 1.125 68 HE2 PHE 11 HE2 PHE 11 7.056 7.952 2.291 69 HZ PHE 11 HZ PHE 11 5.386 6.216 2.911 70 H LYS 12 HN LYS 12 7.001 9.718 -3.037 71 HA LYS 12 HA LYS 12 5.873 11.444 -1.169 72 1HB LYS 12 1HB LYS 12 7.265 12.003 -3.815 73 2HB LYS 12 2HB LYS 12 6.736 13.297 -2.756 74 1HG LYS 12 2HG LYS 12 8.091 12.284 -0.883 75 2HG LYS 12 1HG LYS 12 8.512 10.924 -1.935 76 1HD LYS 12 1HD LYS 12 9.663 12.564 -3.491 77 2HD LYS 12 2HD LYS 12 9.350 13.828 -2.283 78 1HE LYS 12 1HE LYS 12 11.564 13.038 -1.817 79 2HE LYS 12 2HE LYS 12 10.538 12.306 -0.574 80 1HZ LYS 12 1HZ LYS 12 11.521 11.019 -3.029 81 2HZ LYS 12 2HZ LYS 12 12.009 10.697 -1.488 82 3HZ LYS 12 3HZ LYS 12 10.490 10.302 -1.971 83 H ASN 13 H ASN 13 5.101 11.538 -4.688 84 HA ASN 13 HA ASN 13 3.018 13.561 -4.178 85 1HB ASN 13 2HB ASN 13 4.494 13.417 -6.277 86 2HB ASN 13 1HB ASN 13 3.555 12.032 -6.771 87 1HD2 ASN 13 1HD2 ASN 13 3.146 15.420 -5.600 88 2HD2 ASN 13 2HD2 ASN 13 1.750 15.758 -6.616 89 H VAL 14 H VAL 14 3.366 10.230 -5.171 90 HA VAL 14 HA VAL 14 0.634 9.969 -5.916 91 HB VAL 14 HB VAL 14 2.821 7.880 -5.482 92 1HG1 VAL 14 1HG1 VAL 14 1.633 9.112 -8.011 93 2HG1 VAL 14 2HG1 VAL 14 2.906 7.879 -7.959 94 3HG1 VAL 14 3HG1 VAL 14 3.224 9.502 -7.335 95 1HG2 VAL 14 1HG2 VAL 14 0.707 6.651 -5.311 96 2HG2 VAL 14 2HG2 VAL 14 0.067 7.488 -6.741 97 3HG2 VAL 14 3HG2 VAL 14 1.416 6.351 -6.896 98 H VAL 15 H VAL 15 2.383 9.247 -2.940 99 HA VAL 15 HA VAL 15 -0.021 7.949 -1.725 100 HB VAL 15 HB VAL 15 2.910 7.639 -0.947 101 1HG1 VAL 15 1HG1 VAL 15 1.336 7.245 0.872 102 2HG1 VAL 15 2HG1 VAL 15 0.426 6.104 -0.137 103 3HG1 VAL 15 3HG1 VAL 15 2.101 5.757 0.349 104 1HG2 VAL 15 1HG2 VAL 15 2.829 5.489 -2.105 105 2HG2 VAL 15 2HG2 VAL 15 2.519 6.767 -3.249 106 3HG2 VAL 15 3HG2 VAL 15 1.165 5.811 -2.630 107 H LEU 16 H LEU 16 2.884 9.906 -0.753 108 HA LEU 16 HA LEU 16 1.673 10.556 1.782 109 1HB LEU 16 1HB LEU 16 3.874 12.106 0.361 110 2HB LEU 16 2HB LEU 16 3.399 12.233 2.045 111 HG LEU 16 HG LEU 16 4.634 9.788 0.704 112 1HD1 LEU 16 1HD1 LEU 16 5.696 11.716 2.819 113 2HD1 LEU 16 2HD1 LEU 16 6.157 11.729 1.108 114 3HD1 LEU 16 3HD1 LEU 16 6.567 10.336 2.119 115 1HD2 LEU 16 1HD2 LEU 16 4.788 8.961 3.114 116 2HD2 LEU 16 2HD2 LEU 16 3.161 8.958 2.430 117 3HD2 LEU 16 3HD2 LEU 16 3.652 10.244 3.560 118 H GLU 17 HN GLU 17 2.283 12.849 -0.972 119 HA GLU 17 HA GLU 17 0.269 14.654 0.123 120 1HB GLU 17 2HB GLU 17 1.818 14.768 -2.498 121 2HB GLU 17 1HB GLU 17 0.980 16.089 -1.685 122 1HG GLU 17 2HG GLU 17 3.503 14.666 -0.726 123 2HG GLU 17 1HG GLU 17 3.342 16.337 -1.261 124 H SER 18 H SER 18 -0.988 12.239 -0.402 125 HA SER 18 HA SER 18 -2.462 12.562 -2.961 126 1HB SER 18 2HB SER 18 -1.657 10.308 -2.306 127 2HB SER 18 1HB SER 18 -2.650 10.381 -0.834 128 HG SER 18 HG SER 18 -4.410 10.125 -2.026 129 H SER 19 H SER 19 -4.634 13.223 -2.958 130 HA SER 19 HA SER 19 -5.616 14.666 -0.622 131 1HB SER 19 1HB SER 19 -7.555 14.963 -2.332 132 2HB SER 19 2HB SER 19 -5.975 15.662 -2.754 133 HG SER 19 HG SER 19 -6.843 14.407 -4.489 134 H VAL 20 H VAL 20 -6.712 12.027 -2.724 135 HA VAL 20 HA VAL 20 -8.678 11.045 -0.804 136 HB VAL 20 HB VAL 20 -9.030 9.261 -2.404 137 1HG1 VAL 20 1HG2 VAL 20 -6.751 8.844 -3.239 138 2HG1 VAL 20 2HG2 VAL 20 -7.861 9.169 -4.572 139 3HG1 VAL 20 3HG2 VAL 20 -6.734 10.428 -4.043 140 1HG2 VAL 20 1HG1 VAL 20 -8.813 11.965 -3.800 141 2HG2 VAL 20 2HG1 VAL 20 -10.144 11.444 -2.743 142 3HG2 VAL 20 3HG1 VAL 20 -9.851 10.611 -4.279 143 HA PRO 21 HA PRO 21 -5.957 8.434 1.432 144 1HB PRO 21 2HB PRO 21 -7.871 6.112 1.186 145 2HB PRO 21 1HB PRO 21 -7.188 6.813 2.666 146 1HG PRO 21 1HG PRO 21 -9.710 7.218 1.871 147 2HG PRO 21 2HG PRO 21 -8.808 8.555 2.637 148 1HD PRO 21 1HD PRO 21 -9.494 8.263 -0.329 149 2HD PRO 21 2HD PRO 21 -9.329 9.689 0.727 150 H VAL 22 H VAL 22 -4.560 6.662 1.294 151 HA VAL 22 HA VAL 22 -4.501 4.975 -1.090 152 HB VAL 22 HB VAL 22 -2.477 7.177 -0.779 153 1HG1 VAL 22 1HG1 VAL 22 -1.389 6.134 -2.768 154 2HG1 VAL 22 2HG1 VAL 22 -1.283 5.067 -1.360 155 3HG1 VAL 22 3HG1 VAL 22 -2.503 4.756 -2.620 156 1HG2 VAL 22 1HG2 VAL 22 -3.237 7.486 -3.234 157 2HG2 VAL 22 2HG2 VAL 22 -4.487 7.834 -2.051 158 3HG2 VAL 22 3HG2 VAL 22 -4.504 6.300 -2.926 159 H LEU 23 H LEU 23 -3.875 2.949 -0.748 160 HA LEU 23 HA LEU 23 -2.306 2.392 1.703 161 1HB LEU 23 1HB LEU 23 -4.523 1.503 1.700 162 2HB LEU 23 2HB LEU 23 -4.327 0.828 0.097 163 HG LEU 23 HG LEU 23 -2.631 -0.187 2.352 164 1HD1 LEU 23 1HD1 LEU 23 -1.817 -1.038 0.231 165 2HD1 LEU 23 2HD1 LEU 23 -2.881 -2.303 0.825 166 3HD1 LEU 23 3HD1 LEU 23 -3.462 -1.200 -0.419 167 1HD2 LEU 23 1HD2 LEU 23 -5.389 -1.123 1.421 168 2HD2 LEU 23 2HD2 LEU 23 -4.371 -1.966 2.603 169 3HD2 LEU 23 3HD2 LEU 23 -5.028 -0.375 2.989 170 H VAL 24 H VAL 24 -0.281 1.709 1.439 171 HA VAL 24 HA VAL 24 0.528 0.674 -1.240 172 HB VAL 24 HB VAL 24 2.684 1.459 -0.965 173 1HG1 VAL 24 1HG2 VAL 24 1.051 3.186 -1.646 174 2HG1 VAL 24 2HG2 VAL 24 0.897 3.699 0.052 175 3HG1 VAL 24 3HG2 VAL 24 2.460 3.831 -0.786 176 1HG2 VAL 24 1HG1 VAL 24 3.233 1.011 1.322 177 2HG2 VAL 24 2HG1 VAL 24 3.482 2.724 1.036 178 3HG2 VAL 24 3HG1 VAL 24 2.022 2.185 1.900 179 H ASP 25 HN ASP 25 1.293 -1.338 -1.266 180 HA ASP 25 HA ASP 25 1.809 -2.754 1.335 181 1HB ASP 25 2HB ASP 25 0.310 -4.015 -0.083 182 2HB ASP 25 1HB ASP 25 1.398 -3.813 -1.461 183 H PHE 26 H PHE 26 3.926 -2.844 1.928 184 HA PHE 26 HA PHE 26 6.037 -1.944 0.064 185 1HB PHE 26 2HB PHE 26 5.999 -2.869 2.952 186 2HB PHE 26 1HB PHE 26 7.488 -2.712 2.043 187 HD1 PHE 26 HD1 PHE 26 8.584 -0.642 1.747 188 HD2 PHE 26 HD2 PHE 26 4.495 -0.708 3.125 189 HE1 PHE 26 HE1 PHE 26 8.769 1.734 2.424 190 HE2 PHE 26 HE2 PHE 26 4.679 1.679 3.758 191 HZ PHE 26 HZ PHE 26 6.807 2.894 3.452 192 H TRP 27 H TRP 27 6.652 -3.411 -1.455 193 HA TRP 27 HA TRP 27 6.634 -6.316 -0.743 194 1HB TRP 27 1HB TRP 27 5.783 -6.848 -2.904 195 2HB TRP 27 2HB TRP 27 4.722 -5.618 -2.242 196 HD1 TRP 27 HD1 TRP 27 5.244 -3.093 -3.250 197 HE1 TRP 27 HE1 TRP 27 6.144 -2.308 -5.563 198 HE3 TRP 27 HE3 TRP 27 6.902 -7.571 -5.007 199 HZ2 TRP 27 HZ2 TRP 27 7.588 -3.486 -7.746 200 HZ3 TRP 27 HZ3 TRP 27 8.026 -7.726 -7.211 201 HH2 TRP 27 HH2 TRP 27 8.379 -5.692 -8.585 202 H ALA 28 H ALA 28 7.740 -7.430 -2.800 203 HA ALA 28 HA ALA 28 9.893 -6.138 -4.059 204 1HB ALA 28 1HB ALA 28 10.940 -6.287 -1.734 205 2HB ALA 28 2HB ALA 28 11.786 -7.315 -2.882 206 3HB ALA 28 3HB ALA 28 10.636 -8.039 -1.757 207 HA PRO 29 HA PRO 29 8.990 -9.807 -6.412 208 1HB PRO 29 1HB PRO 29 11.419 -10.728 -7.371 209 2HB PRO 29 2HB PRO 29 10.518 -9.324 -8.023 210 1HG PRO 29 1HG PRO 29 12.812 -9.301 -6.047 211 2HG PRO 29 2HG PRO 29 12.586 -8.258 -7.480 212 1HD PRO 29 1HD PRO 29 11.932 -7.354 -5.022 213 2HD PRO 29 2HD PRO 29 10.840 -7.020 -6.378 214 H TRP 30 H TRP 30 11.723 -10.161 -4.157 215 HA TRP 30 HA TRP 30 11.330 -13.007 -3.754 216 1HB TRP 30 1HB TRP 30 12.913 -12.609 -1.857 217 2HB TRP 30 2HB TRP 30 13.497 -12.133 -3.443 218 HD1 TRP 30 HD1 TRP 30 14.240 -9.695 -3.799 219 HE1 TRP 30 HE1 TRP 30 14.566 -7.656 -2.268 220 HE3 TRP 30 HE3 TRP 30 11.626 -11.324 0.306 221 HZ2 TRP 30 HZ2 TRP 30 13.748 -6.820 0.350 222 HZ3 TRP 30 HZ3 TRP 30 11.418 -9.876 2.294 223 HH2 TRP 30 HH2 TRP 30 12.398 -7.596 2.301 224 H CYS 31 H CYS 31 9.381 -10.347 -2.781 225 HA CYS 31 HA CYS 31 8.774 -11.512 -0.108 226 1HB CYS 31 2HB CYS 31 8.650 -9.123 -0.273 227 2HB CYS 31 1HB CYS 31 7.463 -9.237 -1.574 228 H GLY 32 H GLY 32 8.295 -13.619 -0.903 229 1HA GLY 32 1HA GLY 32 6.501 -14.602 -2.644 230 2HA GLY 32 2HA GLY 32 6.628 -15.266 -1.014 231 HA PRO 33 HA PRO 33 2.585 -13.990 0.323 232 1HB PRO 33 2HB PRO 33 3.758 -11.623 1.792 233 2HB PRO 33 1HB PRO 33 2.473 -12.741 2.331 234 1HG PRO 33 2HG PRO 33 5.003 -13.125 3.203 235 2HG PRO 33 1HG PRO 33 4.043 -14.512 2.608 236 1HD PRO 33 1HD PRO 33 6.180 -12.931 1.148 237 2HD PRO 33 2HD PRO 33 5.945 -14.702 1.199 238 H CYS 34 H CYS 34 4.570 -11.163 -0.444 239 HA CYS 34 HA CYS 34 2.529 -9.301 -1.166 240 1HB CYS 34 2HB CYS 34 5.318 -9.295 -2.254 241 2HB CYS 34 1HB CYS 34 4.116 -8.017 -2.138 242 H ARG 35 HN ARG 35 4.636 -11.490 -3.111 243 HA ARG 35 HA ARG 35 3.477 -10.857 -5.644 244 1HB ARG 35 1HB ARG 35 4.967 -13.305 -4.607 245 2HB ARG 35 2HB ARG 35 4.506 -13.074 -6.285 246 1HG ARG 35 2HG ARG 35 6.405 -11.258 -4.715 247 2HG ARG 35 1HG ARG 35 6.844 -12.495 -5.890 248 1HD ARG 35 2HD ARG 35 6.959 -10.549 -7.157 249 2HD ARG 35 1HD ARG 35 5.372 -11.211 -7.580 250 HE ARG 35 HE ARG 35 5.242 -9.375 -5.344 251 1HH1 ARG 35 2HH2 ARG 35 5.536 -9.446 -8.858 252 2HH1 ARG 35 1HH2 ARG 35 4.675 -7.952 -9.112 253 1HH2 ARG 35 2HH1 ARG 35 4.111 -7.418 -5.648 254 2HH2 ARG 35 1HH1 ARG 35 3.883 -6.762 -7.248 255 H ILE 36 H ILE 36 2.602 -13.506 -3.356 256 HA ILE 36 HA ILE 36 0.659 -14.483 -5.270 257 HB ILE 36 HB ILE 36 -0.263 -15.829 -3.476 258 1HG1 ILE 36 1HG1 ILE 36 1.780 -14.568 -1.632 259 2HG1 ILE 36 2HG1 ILE 36 0.063 -14.116 -1.617 260 1HG2 ILE 36 1HG2 ILE 36 1.769 -17.176 -3.155 261 2HG2 ILE 36 2HG2 ILE 36 1.795 -16.456 -4.769 262 3HG2 ILE 36 3HG2 ILE 36 2.800 -15.772 -3.483 263 1HD1 ILE 36 1HD1 ILE 36 1.166 -16.850 -0.979 264 2HD1 ILE 36 2HD1 ILE 36 0.445 -15.667 0.132 265 3HD1 ILE 36 3HD1 ILE 36 -0.565 -16.428 -1.117 266 H ILE 37 H ILE 37 0.286 -12.131 -2.538 267 HA ILE 37 HA ILE 37 -2.556 -11.859 -3.184 268 HB ILE 37 HB ILE 37 -2.650 -10.076 -1.620 269 1HG1 ILE 37 2HG1 ILE 37 0.382 -10.141 -1.566 270 2HG1 ILE 37 1HG1 ILE 37 -0.640 -8.812 -2.080 271 1HG2 ILE 37 1HG2 ILE 37 -0.813 -12.214 -0.468 272 2HG2 ILE 37 2HG2 ILE 37 -2.512 -12.498 -0.894 273 3HG2 ILE 37 3HG2 ILE 37 -2.105 -11.321 0.353 274 1HD1 ILE 37 1HD1 ILE 37 -1.539 -8.674 0.278 275 2HD1 ILE 37 2HD1 ILE 37 -0.324 -9.888 0.749 276 3HD1 ILE 37 3HD1 ILE 37 0.193 -8.321 0.116 277 H ALA 38 H ALA 38 0.333 -10.269 -4.415 278 HA ALA 38 HA ALA 38 -0.324 -7.913 -5.321 279 1HB ALA 38 1HB ALA 38 1.076 -8.262 -7.311 280 2HB ALA 38 2HB ALA 38 1.781 -9.029 -5.888 281 3HB ALA 38 3HB ALA 38 0.960 -10.013 -7.116 282 HA PRO 39 HA PRO 39 -2.810 -8.847 -9.230 283 1HB PRO 39 1HB PRO 39 -4.131 -11.166 -9.686 284 2HB PRO 39 2HB PRO 39 -2.408 -10.947 -10.103 285 1HG PRO 39 1HG PRO 39 -3.573 -12.354 -7.712 286 2HG PRO 39 2HG PRO 39 -2.188 -12.849 -8.720 287 1HD PRO 39 1HD PRO 39 -2.091 -11.513 -6.301 288 2HD PRO 39 2HD PRO 39 -0.737 -11.498 -7.468 289 H VAL 40 H VAL 40 -3.777 -10.225 -6.133 290 HA VAL 40 HA VAL 40 -6.598 -9.597 -6.384 291 HB VAL 40 HB VAL 40 -5.046 -10.095 -3.813 292 1HG1 VAL 40 1HG1 VAL 40 -7.190 -10.958 -3.050 293 2HG1 VAL 40 2HG1 VAL 40 -7.902 -10.694 -4.655 294 3HG1 VAL 40 3HG1 VAL 40 -7.401 -9.304 -3.665 295 1HG2 VAL 40 1HG2 VAL 40 -6.149 -12.153 -5.774 296 2HG2 VAL 40 2HG2 VAL 40 -4.456 -11.987 -5.256 297 3HG2 VAL 40 3HG2 VAL 40 -5.680 -12.504 -4.098 298 H VAL 41 H VAL 41 -3.655 -8.175 -4.896 299 HA VAL 41 HA VAL 41 -4.802 -5.792 -3.837 300 HB VAL 41 HB VAL 41 -2.054 -6.188 -5.114 301 1HG1 VAL 41 1HG1 VAL 41 -1.201 -6.588 -2.902 302 2HG1 VAL 41 2HG1 VAL 41 -2.534 -7.720 -3.143 303 3HG1 VAL 41 3HG1 VAL 41 -2.783 -6.273 -2.167 304 1HG2 VAL 41 1HG2 VAL 41 -2.505 -3.813 -4.919 305 2HG2 VAL 41 2HG2 VAL 41 -3.043 -4.018 -3.232 306 3HG2 VAL 41 3HG2 VAL 41 -1.350 -4.287 -3.674 307 H ASP 42 HN ASP 42 -3.596 -6.592 -7.117 308 HA ASP 42 HA ASP 42 -4.152 -4.068 -8.271 309 1HB ASP 42 2HB ASP 42 -2.869 -6.232 -9.173 310 2HB ASP 42 1HB ASP 42 -4.413 -6.562 -9.955 311 H GLU 43 HN GLU 43 -6.250 -7.059 -8.426 312 HA GLU 43 HA GLU 43 -8.313 -5.702 -9.802 313 1HB GLU 43 1HB GLU 43 -9.645 -7.504 -9.450 314 2HB GLU 43 2HB GLU 43 -8.040 -8.222 -9.347 315 1HG GLU 43 1HG GLU 43 -8.261 -8.132 -6.836 316 2HG GLU 43 2HG GLU 43 -9.917 -7.540 -7.013 317 H ILE 44 H ILE 44 -7.728 -5.947 -6.258 318 HA ILE 44 HA ILE 44 -10.022 -4.487 -5.447 319 HB ILE 44 HB ILE 44 -7.245 -4.863 -4.252 320 1HG1 ILE 44 2HG1 ILE 44 -10.027 -5.924 -3.549 321 2HG1 ILE 44 1HG1 ILE 44 -8.855 -6.816 -4.501 322 1HG2 ILE 44 1HG2 ILE 44 -8.158 -2.708 -3.400 323 2HG2 ILE 44 2HG2 ILE 44 -8.123 -3.936 -2.144 324 3HG2 ILE 44 3HG2 ILE 44 -9.659 -3.552 -2.947 325 1HD1 ILE 44 1HD1 ILE 44 -8.836 -7.641 -2.277 326 2HD1 ILE 44 2HD1 ILE 44 -8.453 -6.050 -1.602 327 3HD1 ILE 44 3HD1 ILE 44 -7.278 -6.877 -2.655 328 H ALA 45 H ALA 45 -6.762 -3.322 -6.483 329 HA ALA 45 HA ALA 45 -7.271 -0.557 -6.171 330 1HB ALA 45 1HB ALA 45 -5.867 -1.728 -8.597 331 2HB ALA 45 2HB ALA 45 -5.580 -0.188 -7.808 332 3HB ALA 45 3HB ALA 45 -5.113 -1.712 -7.007 333 H GLY 46 H GLY 46 -8.081 -2.782 -8.836 334 1HA GLY 46 1HA GLY 46 -9.336 -1.093 -10.675 335 2HA GLY 46 2HA GLY 46 -9.802 -2.765 -10.349 336 H GLU 47 HN GLU 47 -10.904 -2.899 -7.946 337 HA GLU 47 HA GLU 47 -13.490 -1.880 -8.161 338 1HB GLU 47 1HB GLU 47 -11.955 -2.468 -5.591 339 2HB GLU 47 2HB GLU 47 -13.690 -2.327 -5.759 340 1HG GLU 47 1HG GLU 47 -13.842 -4.357 -7.042 341 2HG GLU 47 2HG GLU 47 -12.083 -4.477 -7.183 342 H TYR 48 H TYR 48 -10.784 -0.567 -6.249 343 HA TYR 48 HA TYR 48 -12.421 1.803 -5.519 344 1HB TYR 48 2HB TYR 48 -9.655 0.925 -4.646 345 2HB TYR 48 1HB TYR 48 -10.495 2.359 -4.076 346 HD1 TYR 48 HD1 TYR 48 -10.248 -1.259 -3.721 347 HD2 TYR 48 HD2 TYR 48 -12.640 2.192 -2.778 348 HE1 TYR 48 HE1 TYR 48 -11.643 -2.638 -2.196 349 HE2 TYR 48 HE2 TYR 48 -13.943 0.840 -1.159 350 HH TYR 48 HH TYR 48 -14.077 -1.240 -0.038 351 H LYS 49 HN LYS 49 -11.237 1.342 -8.416 352 HA LYS 49 HA LYS 49 -9.369 3.386 -8.879 353 1HB LYS 49 2HB LYS 49 -11.584 2.136 -10.540 354 2HB LYS 49 1HB LYS 49 -10.742 3.541 -11.188 355 1HG LYS 49 2HG LYS 49 -9.249 1.143 -10.166 356 2HG LYS 49 1HG LYS 49 -9.795 1.247 -11.836 357 1HD LYS 49 1HD LYS 49 -8.309 2.899 -12.419 358 2HD LYS 49 2HD LYS 49 -8.266 3.642 -10.822 359 1HE LYS 49 1HE LYS 49 -6.965 0.976 -11.493 360 2HE LYS 49 2HE LYS 49 -6.122 2.530 -11.444 361 1HZ LYS 49 1HZ LYS 49 -6.731 2.743 -9.149 362 2HZ LYS 49 2HZ LYS 49 -5.851 1.378 -9.421 363 3HZ LYS 49 3HZ LYS 49 -7.482 1.276 -9.157 364 H ASP 50 HN ASP 50 -9.588 5.500 -9.649 365 HA ASP 50 HA ASP 50 -10.333 7.620 -9.829 366 1HB ASP 50 2HB ASP 50 -12.449 6.600 -10.785 367 2HB ASP 50 1HB ASP 50 -13.158 6.655 -9.174 368 H LYS 51 HN LYS 51 -12.099 5.950 -7.272 369 HA LYS 51 HA LYS 51 -12.229 8.193 -5.524 370 1HB LYS 51 2HB LYS 51 -12.554 5.228 -4.985 371 2HB LYS 51 1HB LYS 51 -12.991 6.539 -3.871 372 1HG LYS 51 1HG LYS 51 -14.735 7.276 -5.482 373 2HG LYS 51 2HG LYS 51 -14.159 6.166 -6.722 374 1HD LYS 51 2HD LYS 51 -15.447 5.378 -4.079 375 2HD LYS 51 1HD LYS 51 -16.203 5.328 -5.671 376 1HE LYS 51 2HE LYS 51 -13.925 3.553 -4.676 377 2HE LYS 51 1HE LYS 51 -15.582 3.087 -5.033 378 1HZ LYS 51 1HZ LYS 51 -15.193 3.628 -7.331 379 2HZ LYS 51 2HZ LYS 51 -14.157 2.463 -6.803 380 3HZ LYS 51 3HZ LYS 51 -13.621 4.005 -7.024 381 H LEU 52 H LEU 52 -10.306 5.145 -5.323 382 HA LEU 52 HA LEU 52 -8.813 6.458 -3.081 383 1HB LEU 52 1HB LEU 52 -11.249 4.956 -2.779 384 2HB LEU 52 2HB LEU 52 -10.013 3.849 -2.361 385 HG LEU 52 HG LEU 52 -9.245 6.166 -0.962 386 1HD1 LEU 52 1HD2 LEU 52 -12.309 5.981 -1.053 387 2HD1 LEU 52 2HD2 LEU 52 -11.341 7.336 -1.657 388 3HD1 LEU 52 3HD2 LEU 52 -11.389 6.978 0.075 389 1HD2 LEU 52 1HD1 LEU 52 -11.024 3.874 -0.136 390 2HD2 LEU 52 2HD1 LEU 52 -9.276 4.019 0.041 391 3HD2 LEU 52 3HD1 LEU 52 -10.313 5.056 1.001 392 H LYS 53 HN LYS 53 -7.951 4.627 -1.827 393 HA LYS 53 HA LYS 53 -5.635 4.377 -2.501 394 1HB LYS 53 2HB LYS 53 -5.633 3.467 -0.037 395 2HB LYS 53 1HB LYS 53 -7.042 4.392 -0.243 396 1HG LYS 53 1HG LYS 53 -6.629 1.537 0.318 397 2HG LYS 53 2HG LYS 53 -7.840 2.630 0.894 398 1HD LYS 53 1HD LYS 53 -9.059 2.288 -1.341 399 2HD LYS 53 2HD LYS 53 -7.872 1.072 -1.756 400 1HE LYS 53 1HE LYS 53 -9.704 0.994 0.677 401 2HE LYS 53 2HE LYS 53 -9.942 0.116 -0.831 402 1HZ LYS 53 1HZ LYS 53 -7.893 -1.030 -0.460 403 2HZ LYS 53 2HZ LYS 53 -7.663 -0.244 0.970 404 3HZ LYS 53 3HZ LYS 53 -8.940 -1.270 0.791 405 H CYS 54 H CYS 54 -4.865 2.965 -4.395 406 HA CYS 54 HA CYS 54 -3.775 0.564 -2.995 407 1HB CYS 54 1HB CYS 54 -5.964 -0.065 -4.182 408 2HB CYS 54 2HB CYS 54 -5.031 0.185 -5.698 409 HG CYS 54 HG CYS 54 -5.110 -2.364 -5.014 410 H VAL 55 H VAL 55 -1.709 0.412 -3.181 411 HA VAL 55 HA VAL 55 -0.433 0.668 -5.780 412 HB VAL 55 HB VAL 55 1.144 2.238 -3.896 413 1HG1 VAL 55 1HG1 VAL 55 -1.538 3.540 -4.470 414 2HG1 VAL 55 2HG1 VAL 55 -0.995 2.958 -2.871 415 3HG1 VAL 55 3HG1 VAL 55 -0.122 4.250 -3.696 416 1HG2 VAL 55 1HG2 VAL 55 1.462 2.327 -6.286 417 2HG2 VAL 55 2HG2 VAL 55 -0.210 2.893 -6.534 418 3HG2 VAL 55 3HG2 VAL 55 0.985 3.929 -5.725 419 H LYS 56 HN LYS 56 1.888 0.082 -5.625 420 HA LYS 56 HA LYS 56 2.559 -1.680 -3.298 421 1HB LYS 56 2HB LYS 56 2.217 -2.215 -6.213 422 2HB LYS 56 1HB LYS 56 3.614 -2.971 -5.463 423 1HG LYS 56 1HG LYS 56 2.273 -4.012 -3.740 424 2HG LYS 56 2HG LYS 56 0.809 -3.188 -4.294 425 1HD LYS 56 1HD LYS 56 2.409 -5.160 -5.991 426 2HD LYS 56 2HD LYS 56 1.038 -5.616 -4.962 427 1HE LYS 56 1HE LYS 56 -0.410 -3.983 -6.207 428 2HE LYS 56 2HE LYS 56 0.931 -3.673 -7.322 429 1HZ LYS 56 1HZ LYS 56 -0.443 -6.236 -6.909 430 2HZ LYS 56 2HZ LYS 56 0.877 -6.016 -7.879 431 3HZ LYS 56 3HZ LYS 56 -0.544 -5.253 -8.217 432 H LEU 57 H LEU 57 4.343 -0.971 -2.341 433 HA LEU 57 HA LEU 57 6.242 0.763 -3.840 434 1HB LEU 57 1HB LEU 57 5.339 1.723 -1.843 435 2HB LEU 57 2HB LEU 57 5.818 0.310 -0.866 436 HG LEU 57 HG LEU 57 8.130 0.925 -1.028 437 1HD1 LEU 57 1HD1 LEU 57 8.049 3.023 0.154 438 2HD1 LEU 57 2HD1 LEU 57 6.504 2.207 0.505 439 3HD1 LEU 57 3HD1 LEU 57 6.562 3.513 -0.679 440 1HD2 LEU 57 1HD2 LEU 57 7.129 2.959 -3.070 441 2HD2 LEU 57 2HD2 LEU 57 8.395 1.711 -3.270 442 3HD2 LEU 57 3HD2 LEU 57 8.680 3.133 -2.250 443 H ASN 58 H ASN 58 7.941 -0.141 -4.727 444 HA ASN 58 HA ASN 58 8.778 -2.838 -3.941 445 1HB ASN 58 1HB ASN 58 8.936 -2.048 -6.277 446 2HB ASN 58 2HB ASN 58 10.163 -0.876 -5.793 447 1HD2 ASN 58 2HD2 ASN 58 9.807 -3.953 -7.089 448 2HD2 ASN 58 1HD2 ASN 58 11.356 -4.613 -6.596 449 H THR 59 H THR 59 9.801 -3.156 -2.123 450 HA THR 59 HA THR 59 10.975 -1.056 -0.529 451 HB THR 59 HB THR 59 11.139 -4.080 -0.164 452 HG1 THR 59 HG1 THR 59 9.011 -3.561 -0.411 453 1HG2 THR 59 1HG2 THR 59 11.153 -3.484 2.249 454 2HG2 THR 59 2HG2 THR 59 11.176 -1.762 1.815 455 3HG2 THR 59 3HG2 THR 59 12.557 -2.806 1.408 456 H ASP 60 HN ASP 60 12.207 -3.458 -2.765 457 HA ASP 60 HA ASP 60 14.950 -3.524 -1.883 458 1HB ASP 60 1HB ASP 60 13.428 -5.125 -3.379 459 2HB ASP 60 2HB ASP 60 14.016 -4.124 -4.706 460 H GLU 61 HN GLU 61 13.035 -1.747 -4.208 461 HA GLU 61 HA GLU 61 15.192 -0.065 -5.227 462 1HB GLU 61 2HB GLU 61 13.124 -1.042 -6.469 463 2HB GLU 61 1HB GLU 61 12.192 0.203 -5.624 464 1HG GLU 61 1HG GLU 61 12.687 1.066 -7.756 465 2HG GLU 61 2HG GLU 61 13.801 1.918 -6.689 466 H SER 62 H SER 62 12.673 0.138 -2.777 467 HA SER 62 HA SER 62 13.310 2.991 -2.178 468 1HB SER 62 2HB SER 62 11.040 2.492 -3.110 469 2HB SER 62 1HB SER 62 10.676 1.521 -1.673 470 HG SER 62 HG SER 62 11.091 3.304 -0.399 471 HA PRO 63 HA PRO 63 14.299 0.074 1.485 472 1HB PRO 63 2HB PRO 63 16.964 0.712 1.734 473 2HB PRO 63 1HB PRO 63 16.324 -0.545 0.646 474 1HG PRO 63 2HG PRO 63 17.116 2.227 -0.175 475 2HG PRO 63 1HG PRO 63 17.569 0.673 -0.918 476 1HD PRO 63 1HD PRO 63 15.468 2.118 -1.854 477 2HD PRO 63 2HD PRO 63 15.404 0.326 -1.802 478 H ASN 64 H ASN 64 15.415 3.101 0.414 479 HA ASN 64 HA ASN 64 15.975 4.744 2.526 480 1HB ASN 64 1HB ASN 64 14.093 5.502 0.238 481 2HB ASN 64 2HB ASN 64 14.877 6.647 1.337 482 1HD2 ASN 64 2HD2 ASN 64 15.352 7.236 -1.143 483 2HD2 ASN 64 1HD2 ASN 64 16.943 6.683 -1.671 484 H VAL 65 H VAL 65 12.625 4.671 1.353 485 HA VAL 65 HA VAL 65 11.406 5.929 3.533 486 HB VAL 65 HB VAL 65 10.308 3.866 1.560 487 1HG1 VAL 65 1HG2 VAL 65 8.796 4.112 3.486 488 2HG1 VAL 65 2HG2 VAL 65 8.824 5.880 3.290 489 3HG1 VAL 65 3HG2 VAL 65 8.108 4.843 2.032 490 1HG2 VAL 65 1HG1 VAL 65 11.252 5.812 0.406 491 2HG2 VAL 65 2HG1 VAL 65 10.394 6.915 1.499 492 3HG2 VAL 65 3HG1 VAL 65 9.488 5.895 0.360 493 H ALA 66 H ALA 66 11.662 2.469 2.811 494 HA ALA 66 HA ALA 66 10.367 1.480 5.128 495 1HB ALA 66 1HB ALA 66 12.522 0.304 3.340 496 2HB ALA 66 2HB ALA 66 11.747 -0.608 4.639 497 3HB ALA 66 3HB ALA 66 10.762 0.026 3.302 498 H SER 67 H SER 67 13.767 2.500 4.703 499 HA SER 67 HA SER 67 14.668 1.459 7.240 500 1HB SER 67 2HB SER 67 15.857 3.687 5.521 501 2HB SER 67 1HB SER 67 16.658 2.816 6.839 502 HG SER 67 HG SER 67 15.637 1.652 4.451 503 H GLU 68 HN GLU 68 13.630 4.652 6.056 504 HA GLU 68 HA GLU 68 13.894 6.114 8.487 505 1HB GLU 68 1HB GLU 68 11.891 6.389 6.200 506 2HB GLU 68 2HB GLU 68 12.092 7.572 7.489 507 1HG GLU 68 2HG GLU 68 14.314 8.125 6.796 508 2HG GLU 68 1HG GLU 68 14.437 6.723 5.732 509 H TYR 69 H TYR 69 11.194 4.183 7.198 510 HA TYR 69 HA TYR 69 9.506 4.618 9.524 511 1HB TYR 69 1HB TYR 69 9.369 3.152 6.903 512 2HB TYR 69 2HB TYR 69 8.380 2.525 8.176 513 HD1 TYR 69 HD1 TYR 69 8.670 5.104 5.676 514 HD2 TYR 69 HD2 TYR 69 6.905 4.264 9.513 515 HE1 TYR 69 HE1 TYR 69 7.201 7.087 5.432 516 HE2 TYR 69 HE2 TYR 69 5.526 6.320 9.320 517 HH TYR 69 HH TYR 69 5.743 8.505 6.521 518 H GLY 70 H GLY 70 11.862 2.130 8.696 519 1HA GLY 70 1HA GLY 70 12.861 0.677 10.221 520 2HA GLY 70 2HA GLY 70 11.603 1.005 11.421 521 H ILE 71 H ILE 71 11.120 0.088 8.017 522 HA ILE 71 HA ILE 71 9.426 -2.199 8.781 523 HB ILE 71 HB ILE 71 10.219 -1.071 6.079 524 1HG1 ILE 71 2HG1 ILE 71 7.722 -0.734 7.804 525 2HG1 ILE 71 1HG1 ILE 71 8.929 0.500 7.415 526 1HG2 ILE 71 1HG2 ILE 71 9.588 -3.482 5.970 527 2HG2 ILE 71 2HG2 ILE 71 8.405 -2.460 5.173 528 3HG2 ILE 71 3HG2 ILE 71 8.061 -3.099 6.794 529 1HD1 ILE 71 1HD1 ILE 71 6.945 -0.751 5.508 530 2HD1 ILE 71 2HD1 ILE 71 8.378 0.161 4.979 531 3HD1 ILE 71 3HD1 ILE 71 7.137 0.950 5.967 532 H ARG 72 HN ARG 72 10.887 -3.493 9.820 533 HA ARG 72 HA ARG 72 13.456 -4.226 8.741 534 1HB ARG 72 2HB ARG 72 13.663 -5.551 10.698 535 2HB ARG 72 1HB ARG 72 12.904 -4.035 11.168 536 1HG ARG 72 1HG ARG 72 11.477 -6.733 10.824 537 2HG ARG 72 2HG ARG 72 12.017 -6.018 12.324 538 1HD ARG 72 1HD ARG 72 9.787 -5.510 12.374 539 2HD ARG 72 2HD ARG 72 10.483 -4.004 11.765 540 HE ARG 72 HE ARG 72 9.638 -5.995 9.751 541 1HH1 ARG 72 1HH2 ARG 72 8.478 -3.305 11.735 542 2HH1 ARG 72 2HH2 ARG 72 7.119 -2.960 10.700 543 1HH2 ARG 72 1HH1 ARG 72 7.997 -5.406 8.288 544 2HH2 ARG 72 2HH1 ARG 72 6.794 -4.250 8.705 545 H SER 73 H SER 73 10.339 -5.358 7.941 546 HA SER 73 HA SER 73 11.371 -7.541 6.380 547 1HB SER 73 1HB SER 73 9.387 -8.176 8.617 548 2HB SER 73 2HB SER 73 9.993 -9.307 7.397 549 HG SER 73 HG SER 73 12.135 -8.328 8.521 550 H ILE 74 H ILE 74 9.420 -8.436 5.083 551 HA ILE 74 HA ILE 74 7.189 -6.535 4.940 552 HB ILE 74 HB ILE 74 7.413 -6.599 2.420 553 1HG1 ILE 74 1HG1 ILE 74 10.245 -7.497 2.984 554 2HG1 ILE 74 2HG1 ILE 74 8.971 -8.472 2.227 555 1HG2 ILE 74 1HG2 ILE 74 9.687 -5.197 3.895 556 2HG2 ILE 74 2HG2 ILE 74 7.997 -4.648 3.916 557 3HG2 ILE 74 3HG2 ILE 74 8.888 -4.675 2.399 558 1HD1 ILE 74 1HD1 ILE 74 8.738 -6.630 0.482 559 2HD1 ILE 74 2HD1 ILE 74 10.249 -5.945 1.124 560 3HD1 ILE 74 3HD1 ILE 74 10.234 -7.566 0.427 561 HA PRO 75 HA PRO 75 5.252 -6.827 2.911 562 1HB PRO 75 1HB PRO 75 2.674 -7.411 3.563 563 2HB PRO 75 2HB PRO 75 3.533 -8.214 2.236 564 1HG PRO 75 1HG PRO 75 3.214 -9.243 5.071 565 2HG PRO 75 2HG PRO 75 2.875 -10.117 3.546 566 1HD PRO 75 2HD PRO 75 5.232 -10.405 4.867 567 2HD PRO 75 1HD PRO 75 5.218 -10.349 3.089 568 H THR 76 H THR 76 4.032 -5.075 3.676 569 HA THR 76 HA THR 76 3.202 -4.668 6.382 570 HB THR 76 HB THR 76 5.745 -3.301 5.412 571 HG1 THR 76 HG1 THR 76 5.596 -5.292 6.829 572 1HG2 THR 76 1HG2 THR 76 4.295 -1.504 6.201 573 2HG2 THR 76 2HG2 THR 76 5.498 -1.859 7.452 574 3HG2 THR 76 3HG2 THR 76 3.834 -2.451 7.638 575 H ILE 77 H ILE 77 1.377 -3.460 6.024 576 HA ILE 77 HA ILE 77 1.053 -2.208 3.328 577 HB ILE 77 HB ILE 77 -0.901 -3.621 5.162 578 1HG1 ILE 77 1HG1 ILE 77 0.247 -4.325 2.424 579 2HG1 ILE 77 2HG1 ILE 77 0.646 -5.128 3.948 580 1HG2 ILE 77 1HG2 ILE 77 -1.287 -2.270 2.469 581 2HG2 ILE 77 2HG2 ILE 77 -1.990 -1.722 4.008 582 3HG2 ILE 77 3HG2 ILE 77 -2.526 -3.239 3.309 583 1HD1 ILE 77 1HD1 ILE 77 -1.778 -5.783 4.166 584 2HD1 ILE 77 2HD1 ILE 77 -2.008 -5.215 2.491 585 3HD1 ILE 77 3HD1 ILE 77 -0.882 -6.531 2.825 586 H MET 78 H MET 78 1.420 -0.004 3.686 587 HA MET 78 HA MET 78 0.364 1.204 6.235 588 1HB MET 78 1HB MET 78 2.470 2.171 4.295 589 2HB MET 78 2HB MET 78 1.776 3.150 5.606 590 1HG MET 78 2HG MET 78 2.465 1.420 7.245 591 2HG MET 78 1HG MET 78 3.306 0.558 5.948 592 1HE MET 78 1HE MET 78 6.083 2.024 8.313 593 2HE MET 78 2HE MET 78 5.370 0.552 7.622 594 3HE MET 78 3HE MET 78 4.454 1.515 8.801 595 H VAL 79 H VAL 79 -1.148 2.791 6.184 596 HA VAL 79 HA VAL 79 -2.321 3.460 3.515 597 HB VAL 79 HB VAL 79 -3.747 3.289 6.177 598 1HG1 VAL 79 1HG1 VAL 79 -3.722 1.318 3.871 599 2HG1 VAL 79 2HG1 VAL 79 -4.859 1.252 5.231 600 3HG1 VAL 79 3HG1 VAL 79 -3.130 1.002 5.505 601 1HG2 VAL 79 1HG2 VAL 79 -4.771 4.883 4.580 602 2HG2 VAL 79 2HG2 VAL 79 -4.777 3.631 3.324 603 3HG2 VAL 79 3HG2 VAL 79 -5.792 3.455 4.769 604 H PHE 80 H PHE 80 -2.402 5.553 3.015 605 HA PHE 80 HA PHE 80 -1.838 7.605 5.083 606 1HB PHE 80 1HB PHE 80 -0.777 7.450 2.227 607 2HB PHE 80 2HB PHE 80 -0.480 8.767 3.341 608 HD1 PHE 80 HD1 PHE 80 1.338 8.706 4.887 609 HD2 PHE 80 HD2 PHE 80 0.239 5.174 2.673 610 HE1 PHE 80 HE1 PHE 80 3.511 7.660 5.471 611 HE2 PHE 80 HE2 PHE 80 2.432 4.159 3.215 612 HZ PHE 80 HZ PHE 80 4.016 5.338 4.730 613 H LYS 81 HN LYS 81 -2.370 9.782 4.350 614 HA LYS 81 HA LYS 81 -3.971 10.320 2.046 615 1HB LYS 81 2HB LYS 81 -6.047 10.843 2.958 616 2HB LYS 81 1HB LYS 81 -5.710 9.223 3.549 617 1HG LYS 81 2HG LYS 81 -5.576 11.821 5.151 618 2HG LYS 81 1HG LYS 81 -6.776 10.533 5.232 619 1HD LYS 81 2HD LYS 81 -4.810 8.968 5.826 620 2HD LYS 81 1HD LYS 81 -3.860 10.426 6.099 621 1HE LYS 81 1HE LYS 81 -4.696 9.682 8.212 622 2HE LYS 81 2HE LYS 81 -5.453 11.222 7.790 623 1HZ LYS 81 1HZ LYS 81 -7.407 10.004 7.136 624 2HZ LYS 81 2HZ LYS 81 -7.000 9.616 8.683 625 3HZ LYS 81 3HZ LYS 81 -6.678 8.562 7.462 626 H GLY 82 H GLY 82 -4.010 12.754 1.880 627 1HA GLY 82 2HA GLY 82 -3.386 14.901 2.428 628 2HA GLY 82 1HA GLY 82 -3.991 14.422 4.036 629 H GLY 83 H GLY 83 -0.968 13.206 2.459 630 1HA GLY 83 2HA GLY 83 1.226 13.517 3.041 631 2HA GLY 83 1HA GLY 83 0.759 14.973 3.906 632 H LYS 84 HN LYS 84 -0.963 12.175 5.097 633 HA LYS 84 HA LYS 84 1.141 11.510 7.070 634 1HB LYS 84 2HB LYS 84 -1.661 12.527 7.737 635 2HB LYS 84 1HB LYS 84 -0.575 11.793 8.918 636 1HG LYS 84 2HG LYS 84 -0.021 14.366 7.402 637 2HG LYS 84 1HG LYS 84 -0.618 14.250 9.053 638 1HD LYS 84 2HD LYS 84 1.419 13.087 9.799 639 2HD LYS 84 1HD LYS 84 2.090 13.114 8.168 640 1HE LYS 84 2HE LYS 84 1.421 15.601 9.791 641 2HE LYS 84 1HE LYS 84 3.033 14.900 9.561 642 1HZ LYS 84 1HZ LYS 84 2.714 16.637 8.020 643 2HZ LYS 84 2HZ LYS 84 1.307 15.991 7.457 644 3HZ LYS 84 3HZ LYS 84 2.728 15.212 7.184 645 H LYS 85 HN LYS 85 0.298 9.785 8.567 646 HA LYS 85 HA LYS 85 -0.658 7.569 6.886 647 1HB LYS 85 2HB LYS 85 0.627 7.756 9.631 648 2HB LYS 85 1HB LYS 85 -0.079 6.263 8.984 649 1HG LYS 85 2HG LYS 85 1.346 6.364 7.007 650 2HG LYS 85 1HG LYS 85 2.066 7.887 7.570 651 1HD LYS 85 1HD LYS 85 3.539 6.023 7.983 652 2HD LYS 85 2HD LYS 85 3.015 6.718 9.535 653 1HE LYS 85 2HE LYS 85 1.398 4.843 9.808 654 2HE LYS 85 1HE LYS 85 1.827 4.235 8.194 655 1HZ LYS 85 1HZ LYS 85 4.043 3.879 9.021 656 2HZ LYS 85 2HZ LYS 85 3.603 4.406 10.524 657 3HZ LYS 85 3HZ LYS 85 2.908 3.046 9.887 658 H CYS 86 H CYS 86 -2.151 6.082 7.718 659 HA CYS 86 HA CYS 86 -4.283 7.106 9.556 660 1HB CYS 86 2HB CYS 86 -4.934 7.209 7.137 661 2HB CYS 86 1HB CYS 86 -4.664 5.483 6.990 662 HG CYS 86 HG CYS 86 -6.205 5.772 9.635 663 H GLU 87 HN GLU 87 -2.984 4.263 7.854 664 HA GLU 87 HA GLU 87 -3.267 2.604 10.319 665 1HB GLU 87 1HB GLU 87 -3.890 1.392 7.635 666 2HB GLU 87 2HB GLU 87 -4.438 0.918 9.236 667 1HG GLU 87 1HG GLU 87 -5.972 2.885 9.265 668 2HG GLU 87 2HG GLU 87 -5.420 3.351 7.662 669 H THR 88 H THR 88 -2.126 0.510 10.104 670 HA THR 88 HA THR 88 0.002 0.189 8.142 671 HB THR 88 HB THR 88 0.625 0.648 11.084 672 HG1 THR 88 HG1 THR 88 0.528 2.293 9.107 673 1HG2 THR 88 1HG2 THR 88 2.416 -0.384 8.829 674 2HG2 THR 88 2HG2 THR 88 2.991 0.180 10.413 675 3HG2 THR 88 3HG2 THR 88 1.975 -1.262 10.307 676 H ILE 89 H ILE 89 -1.095 -1.559 7.548 677 HA ILE 89 HA ILE 89 -1.793 -3.699 9.477 678 HB ILE 89 HB ILE 89 -2.594 -3.849 6.586 679 1HG1 ILE 89 1HG1 ILE 89 -3.970 -1.876 8.470 680 2HG1 ILE 89 2HG1 ILE 89 -3.040 -1.434 7.025 681 1HG2 ILE 89 1HG2 ILE 89 -4.566 -4.876 7.521 682 2HG2 ILE 89 2HG2 ILE 89 -4.211 -4.229 9.138 683 3HG2 ILE 89 3HG2 ILE 89 -3.216 -5.514 8.446 684 1HD1 ILE 89 1HD1 ILE 89 -4.558 -2.636 5.581 685 2HD1 ILE 89 2HD1 ILE 89 -5.619 -2.991 6.972 686 3HD1 ILE 89 3HD1 ILE 89 -5.330 -1.317 6.476 687 H ILE 90 H ILE 90 -1.489 -5.944 7.838 688 HA ILE 90 HA ILE 90 1.220 -5.908 6.710 689 HB ILE 90 HB ILE 90 0.310 -7.713 9.012 690 1HG1 ILE 90 2HG1 ILE 90 2.493 -5.575 8.845 691 2HG1 ILE 90 1HG1 ILE 90 1.008 -5.504 9.810 692 1HG2 ILE 90 1HG2 ILE 90 2.906 -7.743 7.404 693 2HG2 ILE 90 2HG2 ILE 90 2.581 -8.727 8.845 694 3HG2 ILE 90 3HG2 ILE 90 1.655 -9.009 7.400 695 1HD1 ILE 90 1HD1 ILE 90 3.391 -7.295 10.307 696 2HD1 ILE 90 2HD1 ILE 90 1.806 -7.515 11.096 697 3HD1 ILE 90 3HD1 ILE 90 2.724 -6.013 11.319 698 H GLY 91 H GLY 91 1.505 -7.834 5.382 699 1HA GLY 91 1HA GLY 91 -0.949 -8.678 4.014 700 2HA GLY 91 2HA GLY 91 0.714 -9.144 3.629 701 H ALA 92 H ALA 92 0.164 -11.414 3.532 702 HA ALA 92 HA ALA 92 0.007 -13.508 4.281 703 1HB ALA 92 1HB ALA 92 0.552 -14.123 6.531 704 2HB ALA 92 2HB ALA 92 1.606 -12.768 6.087 705 3HB ALA 92 3HB ALA 92 0.211 -12.511 7.162 706 H VAL 93 H VAL 93 -2.022 -11.306 6.222 707 HA VAL 93 HA VAL 93 -4.128 -13.278 6.564 708 HB VAL 93 HB VAL 93 -5.452 -11.418 7.434 709 1HG1 VAL 93 1HG2 VAL 93 -3.104 -9.606 6.729 710 2HG1 VAL 93 2HG2 VAL 93 -4.714 -9.578 5.983 711 3HG1 VAL 93 3HG2 VAL 93 -4.523 -9.165 7.689 712 1HG2 VAL 93 1HG1 VAL 93 -2.599 -11.388 8.516 713 2HG2 VAL 93 2HG1 VAL 93 -3.834 -12.607 8.898 714 3HG2 VAL 93 3HG1 VAL 93 -4.071 -10.920 9.386 715 HA PRO 94 HA PRO 94 -6.011 -12.870 2.618 716 1HB PRO 94 1HB PRO 94 -8.664 -12.460 3.965 717 2HB PRO 94 2HB PRO 94 -8.256 -13.600 2.657 718 1HG PRO 94 2HG PRO 94 -8.490 -14.502 5.218 719 2HG PRO 94 1HG PRO 94 -7.169 -15.086 4.165 720 1HD PRO 94 1HD PRO 94 -7.017 -13.007 6.348 721 2HD PRO 94 2HD PRO 94 -5.886 -14.319 5.925 722 H LYS 95 HN LYS 95 -6.770 -11.361 1.148 723 HA LYS 95 HA LYS 95 -6.448 -8.599 1.763 724 1HB LYS 95 2HB LYS 95 -7.713 -10.084 -0.575 725 2HB LYS 95 1HB LYS 95 -7.607 -8.336 -0.504 726 1HG LYS 95 1HG LYS 95 -5.267 -10.297 -0.469 727 2HG LYS 95 2HG LYS 95 -5.778 -9.260 -1.799 728 1HD LYS 95 1HD LYS 95 -4.543 -8.343 0.834 729 2HD LYS 95 2HD LYS 95 -3.789 -8.347 -0.744 730 1HE LYS 95 2HE LYS 95 -5.224 -6.640 -1.604 731 2HE LYS 95 1HE LYS 95 -6.259 -6.655 -0.170 732 1HZ LYS 95 1HZ LYS 95 -4.712 -4.869 -0.113 733 2HZ LYS 95 2HZ LYS 95 -3.428 -5.898 -0.200 734 3HZ LYS 95 3HZ LYS 95 -4.412 -5.919 1.120 735 H ALA 96 H ALA 96 -9.306 -10.646 1.555 736 HA ALA 96 HA ALA 96 -11.355 -8.769 1.840 737 1HB ALA 96 1HB ALA 96 -11.096 -11.457 3.275 738 2HB ALA 96 2HB ALA 96 -11.749 -11.197 1.641 739 3HB ALA 96 3HB ALA 96 -12.598 -10.536 3.052 740 H THR 97 H THR 97 -9.368 -10.219 4.525 741 HA THR 97 HA THR 97 -10.498 -8.834 6.661 742 HB THR 97 HB THR 97 -7.575 -9.662 6.345 743 HG1 THR 97 HG1 THR 97 -8.520 -11.748 7.031 744 1HG2 THR 97 1HG2 THR 97 -9.473 -9.851 8.716 745 2HG2 THR 97 2HG2 THR 97 -7.768 -10.351 8.674 746 3HG2 THR 97 3HG2 THR 97 -8.184 -8.637 8.514 747 H ILE 98 H ILE 98 -7.718 -8.010 4.554 748 HA ILE 98 HA ILE 98 -7.007 -5.565 5.864 749 HB ILE 98 HB ILE 98 -6.528 -6.722 3.097 750 1HG1 ILE 98 2HG1 ILE 98 -4.462 -5.992 5.182 751 2HG1 ILE 98 1HG1 ILE 98 -5.438 -7.439 5.430 752 1HG2 ILE 98 1HG2 ILE 98 -4.825 -4.831 2.847 753 2HG2 ILE 98 2HG2 ILE 98 -6.516 -4.349 2.661 754 3HG2 ILE 98 3HG2 ILE 98 -5.660 -4.016 4.178 755 1HD1 ILE 98 1HD1 ILE 98 -3.310 -7.952 4.309 756 2HD1 ILE 98 2HD1 ILE 98 -4.714 -8.410 3.337 757 3HD1 ILE 98 3HD1 ILE 98 -3.789 -6.948 2.926 758 H VAL 99 H VAL 99 -9.099 -6.121 2.967 759 HA VAL 99 HA VAL 99 -9.835 -3.427 2.554 760 HB VAL 99 HB VAL 99 -11.327 -6.034 2.028 761 1HG1 VAL 99 1HG1 VAL 99 -12.718 -4.670 0.439 762 2HG1 VAL 99 2HG1 VAL 99 -13.031 -4.278 2.131 763 3HG1 VAL 99 3HG1 VAL 99 -12.023 -3.197 1.143 764 1HG2 VAL 99 1HG2 VAL 99 -10.616 -5.643 -0.288 765 2HG2 VAL 99 2HG2 VAL 99 -9.186 -5.631 0.755 766 3HG2 VAL 99 3HG2 VAL 99 -9.861 -4.103 0.167 767 H GLN 100 H GLN 100 -11.526 -5.956 4.528 768 HA GLN 100 HA GLN 100 -13.547 -4.292 5.553 769 1HB GLN 100 2HB GLN 100 -12.051 -6.674 6.731 770 2HB GLN 100 1HB GLN 100 -13.364 -5.907 7.604 771 1HG GLN 100 2HG GLN 100 -13.570 -7.155 4.821 772 2HG GLN 100 1HG GLN 100 -14.109 -7.878 6.337 773 1HE2 GLN 100 1HE2 GLN 100 -15.180 -5.169 7.329 774 2HE2 GLN 100 2HE2 GLN 100 -16.660 -4.981 6.407 775 H THR 101 H THR 101 -10.209 -4.713 6.728 776 HA THR 101 HA THR 101 -10.492 -3.065 9.058 777 HB THR 101 HB THR 101 -7.992 -3.444 7.348 778 HG1 THR 101 HG1 THR 101 -8.933 -5.430 8.047 779 1HG2 THR 101 1HG2 THR 101 -7.775 -1.642 9.023 780 2HG2 THR 101 2HG2 THR 101 -6.787 -3.048 9.439 781 3HG2 THR 101 3HG2 THR 101 -8.318 -2.756 10.293 782 H VAL 102 H VAL 102 -9.540 -2.259 5.665 783 HA VAL 102 HA VAL 102 -9.155 0.533 6.223 784 HB VAL 102 HB VAL 102 -9.796 -0.813 3.575 785 1HG1 VAL 102 1HG1 VAL 102 -7.088 -0.034 4.716 786 2HG1 VAL 102 2HG1 VAL 102 -7.421 -0.828 3.155 787 3HG1 VAL 102 3HG1 VAL 102 -7.694 -1.696 4.666 788 1HG2 VAL 102 1HG2 VAL 102 -8.562 1.903 4.280 789 2HG2 VAL 102 2HG2 VAL 102 -10.077 1.640 3.405 790 3HG2 VAL 102 3HG2 VAL 102 -8.537 1.201 2.660 791 H GLU 103 HN GLU 103 -12.003 -1.301 5.145 792 HA GLU 103 HA GLU 103 -13.663 0.656 4.196 793 1HB GLU 103 2HB GLU 103 -14.227 -1.800 5.869 794 2HB GLU 103 1HB GLU 103 -15.525 -0.786 5.263 795 1HG GLU 103 2HG GLU 103 -13.363 -1.800 3.374 796 2HG GLU 103 1HG GLU 103 -14.765 -2.809 3.796 797 H LYS 104 HN LYS 104 -13.095 -0.042 7.612 798 HA LYS 104 HA LYS 104 -14.909 1.587 8.944 799 1HB LYS 104 1HB LYS 104 -13.223 0.082 9.979 800 2HB LYS 104 2HB LYS 104 -11.934 1.162 9.435 801 1HG LYS 104 1HG LYS 104 -12.994 2.985 10.904 802 2HG LYS 104 2HG LYS 104 -14.030 1.704 11.568 803 1HD LYS 104 1HD LYS 104 -11.926 0.409 12.112 804 2HD LYS 104 2HD LYS 104 -10.971 1.759 11.502 805 1HE LYS 104 1HE LYS 104 -12.907 1.924 13.860 806 2HE LYS 104 2HE LYS 104 -11.146 1.775 13.982 807 1HZ LYS 104 1HZ LYS 104 -12.584 4.011 12.742 808 2HZ LYS 104 2HZ LYS 104 -10.945 3.851 12.812 809 3HZ LYS 104 3HZ LYS 104 -11.818 4.029 14.199 810 H TYR 105 H TYR 105 -11.984 2.536 7.209 811 HA TYR 105 HA TYR 105 -12.199 5.413 7.925 812 1HB TYR 105 2HB TYR 105 -10.073 3.752 6.518 813 2HB TYR 105 1HB TYR 105 -9.883 5.430 7.032 814 HD1 TYR 105 HD1 TYR 105 -9.941 5.929 9.511 815 HD2 TYR 105 HD2 TYR 105 -9.743 1.920 8.005 816 HE1 TYR 105 HE1 TYR 105 -8.787 5.211 11.612 817 HE2 TYR 105 HE2 TYR 105 -8.596 1.180 10.089 818 HH TYR 105 HH TYR 105 -7.683 3.468 12.678 819 H LEU 106 H LEU 106 -14.035 3.937 5.991 820 HA LEU 106 HA LEU 106 -13.410 5.470 3.514 821 1HB LEU 106 1HB LEU 106 -12.698 2.877 3.924 822 2HB LEU 106 2HB LEU 106 -14.329 2.627 3.367 823 HG LEU 106 HG LEU 106 -11.978 3.978 2.008 824 1HD1 LEU 106 1HD1 LEU 106 -13.905 5.160 1.099 825 2HD1 LEU 106 2HD1 LEU 106 -13.341 4.010 -0.115 826 3HD1 LEU 106 3HD1 LEU 106 -14.778 3.628 0.841 827 1HD2 LEU 106 1HD2 LEU 106 -11.966 1.491 2.218 828 2HD2 LEU 106 2HD2 LEU 106 -13.511 1.436 1.358 829 3HD2 LEU 106 3HD2 LEU 106 -12.049 1.995 0.524 830 H ASN 107 H ASN 107 -15.812 3.435 5.265 831 HA ASN 107 HA ASN 107 -17.965 5.250 4.533 832 1HB ASN 107 1HB ASN 107 -17.618 3.530 2.595 833 2HB ASN 107 2HB ASN 107 -18.201 2.318 3.738 834 1HD2 ASN 107 1HD2 ASN 107 -20.268 3.981 5.019 835 2HD2 ASN 107 2HD2 ASN 107 -21.506 4.240 3.783 Start of MODEL 22 1 1H MET 1 1H MET 1 -8.936 2.594 -12.070 2 2H MET 1 2H MET 1 -8.454 1.659 -10.784 3 3H MET 1 3H MET 1 -8.688 0.949 -12.235 4 HA MET 1 HA MET 1 -6.943 2.219 -13.224 5 1HB MET 1 2HB MET 1 -7.024 3.886 -11.214 6 2HB MET 1 1HB MET 1 -6.066 2.705 -10.326 7 1HG MET 1 2HG MET 1 -4.660 4.442 -11.321 8 2HG MET 1 1HG MET 1 -4.291 2.925 -12.134 9 1HE MET 1 1HE MET 1 -3.138 3.826 -14.216 10 2HE MET 1 2HE MET 1 -3.164 5.399 -13.376 11 3HE MET 1 3HE MET 1 -3.681 5.286 -15.074 12 H GLU 2 HN GLU 2 -4.645 1.296 -11.105 13 HA GLU 2 HA GLU 2 -5.006 -1.545 -11.003 14 1HB GLU 2 1HB GLU 2 -3.102 -2.023 -12.523 15 2HB GLU 2 2HB GLU 2 -4.501 -1.365 -13.363 16 1HG GLU 2 2HG GLU 2 -3.386 0.887 -13.414 17 2HG GLU 2 1HG GLU 2 -1.987 0.197 -12.570 18 H ALA 3 H ALA 3 -2.783 -2.401 -10.062 19 HA ALA 3 HA ALA 3 -2.278 -0.803 -7.758 20 1HB ALA 3 1HB ALA 3 -0.334 -2.409 -7.425 21 2HB ALA 3 2HB ALA 3 -0.943 -3.273 -8.863 22 3HB ALA 3 3HB ALA 3 -1.948 -3.079 -7.402 23 H GLY 4 H GLY 4 -1.098 1.080 -7.703 24 1HA GLY 4 1HA GLY 4 0.719 1.963 -9.678 25 2HA GLY 4 2HA GLY 4 0.694 2.520 -8.035 26 H ALA 5 H ALA 5 3.004 1.924 -9.807 27 HA ALA 5 HA ALA 5 4.443 -0.025 -8.037 28 1HB ALA 5 1HB ALA 5 4.560 -0.708 -10.359 29 2HB ALA 5 2HB ALA 5 5.127 0.921 -10.835 30 3HB ALA 5 3HB ALA 5 6.132 -0.104 -9.779 31 H VAL 6 H VAL 6 5.107 1.214 -6.455 32 HA VAL 6 HA VAL 6 6.016 4.031 -6.998 33 HB VAL 6 HB VAL 6 5.589 4.391 -4.541 34 1HG1 VAL 6 1HG2 VAL 6 3.791 1.948 -4.771 35 2HG1 VAL 6 2HG2 VAL 6 4.105 2.947 -3.334 36 3HG1 VAL 6 3HG2 VAL 6 5.380 1.915 -4.008 37 1HG2 VAL 6 1HG1 VAL 6 3.131 3.676 -6.202 38 2HG2 VAL 6 2HG1 VAL 6 4.015 5.221 -6.272 39 3HG2 VAL 6 3HG1 VAL 6 3.183 4.735 -4.783 40 H ASN 7 H ASN 7 7.789 4.791 -5.692 41 HA ASN 7 HA ASN 7 9.658 2.905 -4.464 42 1HB ASN 7 2HB ASN 7 10.163 4.383 -7.082 43 2HB ASN 7 1HB ASN 7 11.488 4.022 -6.000 44 1HD2 ASN 7 2HD2 ASN 7 11.573 1.711 -5.146 45 2HD2 ASN 7 1HD2 ASN 7 11.310 0.445 -6.337 46 H ASP 8 HN ASP 8 11.565 4.403 -3.795 47 HA ASP 8 HA ASP 8 10.581 6.132 -1.861 48 1HB ASP 8 1HB ASP 8 12.836 6.882 -1.512 49 2HB ASP 8 2HB ASP 8 12.883 5.168 -1.972 50 H ASP 9 HN ASP 9 11.933 7.076 -4.925 51 HA ASP 9 HA ASP 9 11.410 9.861 -4.822 52 1HB ASP 9 1HB ASP 9 12.800 8.900 -6.559 53 2HB ASP 9 2HB ASP 9 11.469 7.963 -7.220 54 H THR 10 H THR 10 9.479 7.610 -6.815 55 HA THR 10 HA THR 10 7.385 9.347 -7.378 56 HB THR 10 HB THR 10 6.117 7.155 -7.846 57 HG1 THR 10 HG1 THR 10 7.643 5.350 -7.834 58 1HG2 THR 10 1HG2 THR 10 7.468 8.354 -9.552 59 2HG2 THR 10 2HG2 THR 10 8.925 7.501 -9.012 60 3HG2 THR 10 3HG2 THR 10 7.587 6.598 -9.751 61 H PHE 11 H PHE 11 7.714 7.229 -4.578 62 HA PHE 11 HA PHE 11 5.300 7.096 -3.362 63 1HB PHE 11 2HB PHE 11 7.473 6.340 -2.434 64 2HB PHE 11 1HB PHE 11 7.907 7.982 -2.052 65 HD1 PHE 11 HD1 PHE 11 7.005 9.097 -0.072 66 HD2 PHE 11 HD2 PHE 11 5.723 5.125 -1.172 67 HE1 PHE 11 HE1 PHE 11 6.275 8.689 2.250 68 HE2 PHE 11 HE2 PHE 11 4.940 4.746 1.148 69 HZ PHE 11 HZ PHE 11 5.334 6.469 2.886 70 H LYS 12 HN LYS 12 7.482 9.858 -3.255 71 HA LYS 12 HA LYS 12 6.032 11.613 -1.588 72 1HB LYS 12 1HB LYS 12 7.903 12.090 -3.936 73 2HB LYS 12 2HB LYS 12 6.998 13.403 -3.231 74 1HG LYS 12 2HG LYS 12 9.163 13.326 -2.148 75 2HG LYS 12 1HG LYS 12 7.959 12.801 -0.953 76 1HD LYS 12 1HD LYS 12 8.555 10.450 -1.336 77 2HD LYS 12 2HD LYS 12 9.652 10.915 -2.649 78 1HE LYS 12 1HE LYS 12 11.117 12.065 -1.081 79 2HE LYS 12 2HE LYS 12 9.988 11.775 0.260 80 1HZ LYS 12 1HZ LYS 12 11.834 10.201 0.151 81 2HZ LYS 12 2HZ LYS 12 10.359 9.469 0.058 82 3HZ LYS 12 3HZ LYS 12 11.263 9.644 -1.301 83 H ASN 13 H ASN 13 5.789 11.399 -5.193 84 HA ASN 13 HA ASN 13 3.710 13.427 -5.168 85 1HB ASN 13 2HB ASN 13 5.296 12.977 -7.094 86 2HB ASN 13 1HB ASN 13 4.379 11.536 -7.455 87 1HD2 ASN 13 1HD2 ASN 13 3.596 15.017 -6.561 88 2HD2 ASN 13 2HD2 ASN 13 2.443 15.187 -7.873 89 H VAL 14 H VAL 14 3.935 9.969 -5.564 90 HA VAL 14 HA VAL 14 1.225 9.773 -6.465 91 HB VAL 14 HB VAL 14 3.229 7.607 -5.652 92 1HG1 VAL 14 1HG1 VAL 14 3.851 8.943 -7.665 93 2HG1 VAL 14 2HG1 VAL 14 3.445 7.278 -8.094 94 3HG1 VAL 14 3HG1 VAL 14 2.273 8.578 -8.385 95 1HG2 VAL 14 1HG2 VAL 14 1.018 6.566 -5.449 96 2HG2 VAL 14 2HG2 VAL 14 0.508 7.273 -6.995 97 3HG2 VAL 14 3HG2 VAL 14 1.754 6.018 -6.954 98 H VAL 15 H VAL 15 2.870 9.057 -3.391 99 HA VAL 15 HA VAL 15 0.385 8.028 -2.156 100 HB VAL 15 HB VAL 15 3.222 8.069 -1.044 101 1HG1 VAL 15 1HG1 VAL 15 0.782 6.461 -0.257 102 2HG1 VAL 15 2HG1 VAL 15 2.409 6.376 0.465 103 3HG1 VAL 15 3HG1 VAL 15 1.453 7.849 0.626 104 1HG2 VAL 15 1HG2 VAL 15 3.413 5.757 -1.764 105 2HG2 VAL 15 2HG2 VAL 15 3.145 6.765 -3.179 106 3HG2 VAL 15 3HG2 VAL 15 1.811 5.817 -2.525 107 H LEU 16 H LEU 16 3.053 10.255 -1.196 108 HA LEU 16 HA LEU 16 1.520 11.313 1.008 109 1HB LEU 16 2HB LEU 16 3.984 12.353 -0.454 110 2HB LEU 16 1HB LEU 16 3.290 13.122 0.940 111 HG LEU 16 HG LEU 16 4.486 10.306 0.731 112 1HD1 LEU 16 1HD1 LEU 16 6.217 11.203 2.240 113 2HD1 LEU 16 2HD1 LEU 16 5.387 12.773 2.280 114 3HD1 LEU 16 3HD1 LEU 16 6.107 12.184 0.769 115 1HD2 LEU 16 1HD2 LEU 16 3.177 11.649 3.138 116 2HD2 LEU 16 2HD2 LEU 16 2.720 10.103 2.381 117 3HD2 LEU 16 3HD2 LEU 16 4.246 10.237 3.244 118 H GLU 17 HN GLU 17 2.496 12.997 -2.001 119 HA GLU 17 HA GLU 17 0.591 15.126 -1.573 120 1HB GLU 17 2HB GLU 17 2.091 14.280 -4.054 121 2HB GLU 17 1HB GLU 17 1.361 15.854 -3.806 122 1HG GLU 17 1HG GLU 17 2.966 16.522 -2.197 123 2HG GLU 17 2HG GLU 17 3.560 14.881 -1.943 124 H SER 18 H SER 18 -0.913 12.742 -1.487 125 HA SER 18 HA SER 18 -2.297 12.483 -4.115 126 1HB SER 18 2HB SER 18 -1.698 10.425 -2.835 127 2HB SER 18 1HB SER 18 -2.751 10.966 -1.511 128 HG SER 18 HG SER 18 -4.213 9.903 -2.673 129 H SER 19 H SER 19 -4.773 12.019 -3.346 130 HA SER 19 HA SER 19 -5.861 14.362 -1.825 131 1HB SER 19 1HB SER 19 -7.679 14.400 -3.590 132 2HB SER 19 2HB SER 19 -6.083 14.935 -4.157 133 HG SER 19 HG SER 19 -6.958 13.461 -5.642 134 H VAL 20 H VAL 20 -6.937 11.546 -3.621 135 HA VAL 20 HA VAL 20 -8.712 10.573 -1.505 136 HB VAL 20 HB VAL 20 -9.287 8.870 -3.131 137 1HG1 VAL 20 1HG2 VAL 20 -7.016 8.315 -4.013 138 2HG1 VAL 20 2HG2 VAL 20 -7.000 9.857 -4.891 139 3HG1 VAL 20 3HG2 VAL 20 -8.196 8.610 -5.292 140 1HG2 VAL 20 1HG1 VAL 20 -8.958 11.480 -4.620 141 2HG2 VAL 20 2HG1 VAL 20 -10.121 10.182 -4.934 142 3HG2 VAL 20 3HG1 VAL 20 -10.230 11.118 -3.433 143 HA PRO 21 HA PRO 21 -5.746 8.168 0.624 144 1HB PRO 21 1HB PRO 21 -6.825 5.753 1.254 145 2HB PRO 21 2HB PRO 21 -7.381 7.307 1.936 146 1HG PRO 21 2HG PRO 21 -8.587 5.821 -0.406 147 2HG PRO 21 1HG PRO 21 -9.395 6.447 1.057 148 1HD PRO 21 2HD PRO 21 -9.329 7.822 -1.296 149 2HD PRO 21 1HD PRO 21 -9.276 8.669 0.244 150 H VAL 22 H VAL 22 -4.319 6.356 0.516 151 HA VAL 22 HA VAL 22 -4.062 4.957 -2.077 152 HB VAL 22 HB VAL 22 -1.818 6.450 -0.660 153 1HG1 VAL 22 1HG1 VAL 22 -1.073 4.441 -1.926 154 2HG1 VAL 22 2HG1 VAL 22 -0.463 5.958 -2.595 155 3HG1 VAL 22 3HG1 VAL 22 -1.782 5.122 -3.395 156 1HG2 VAL 22 1HG2 VAL 22 -3.452 7.266 -3.079 157 2HG2 VAL 22 2HG2 VAL 22 -3.213 8.142 -1.559 158 3HG2 VAL 22 3HG2 VAL 22 -1.870 7.949 -2.686 159 H LEU 23 H LEU 23 -3.623 2.808 -1.753 160 HA LEU 23 HA LEU 23 -2.847 1.896 1.008 161 1HB LEU 23 2HB LEU 23 -4.982 1.045 0.024 162 2HB LEU 23 1HB LEU 23 -4.082 0.242 -1.235 163 HG LEU 23 HG LEU 23 -3.646 -0.255 1.744 164 1HD1 LEU 23 1HD1 LEU 23 -1.703 -1.052 0.523 165 2HD1 LEU 23 2HD1 LEU 23 -2.700 -2.459 0.854 166 3HD1 LEU 23 3HD1 LEU 23 -2.715 -1.742 -0.760 167 1HD2 LEU 23 1HD2 LEU 23 -5.343 -1.796 -0.259 168 2HD2 LEU 23 2HD2 LEU 23 -4.972 -2.317 1.401 169 3HD2 LEU 23 3HD2 LEU 23 -5.928 -0.858 1.136 170 H VAL 24 H VAL 24 -0.585 1.918 0.979 171 HA VAL 24 HA VAL 24 0.768 0.962 -1.543 172 HB VAL 24 HB VAL 24 2.730 1.912 -0.873 173 1HG1 VAL 24 1HG2 VAL 24 0.592 3.901 0.032 174 2HG1 VAL 24 2HG2 VAL 24 1.115 3.633 -1.636 175 3HG1 VAL 24 3HG2 VAL 24 2.256 4.261 -0.459 176 1HG2 VAL 24 1HG1 VAL 24 3.137 2.982 1.310 177 2HG2 VAL 24 2HG1 VAL 24 1.551 2.370 1.854 178 3HG2 VAL 24 3HG1 VAL 24 2.878 1.244 1.453 179 H ASP 25 HN ASP 25 1.685 -1.012 -1.548 180 HA ASP 25 HA ASP 25 1.892 -2.529 1.050 181 1HB ASP 25 2HB ASP 25 0.466 -3.679 -0.540 182 2HB ASP 25 1HB ASP 25 1.693 -3.520 -1.806 183 H PHE 26 H PHE 26 3.964 -2.600 1.863 184 HA PHE 26 HA PHE 26 6.246 -1.901 0.072 185 1HB PHE 26 2HB PHE 26 6.024 -2.719 3.000 186 2HB PHE 26 1HB PHE 26 7.545 -2.454 2.163 187 HD1 PHE 26 HD1 PHE 26 8.541 -0.322 2.218 188 HD2 PHE 26 HD2 PHE 26 4.278 -0.619 2.893 189 HE1 PHE 26 HE1 PHE 26 8.470 2.027 2.940 190 HE2 PHE 26 HE2 PHE 26 4.224 1.747 3.525 191 HZ PHE 26 HZ PHE 26 6.318 3.082 3.601 192 H TRP 27 H TRP 27 6.975 -3.396 -1.278 193 HA TRP 27 HA TRP 27 6.712 -6.314 -0.480 194 1HB TRP 27 2HB TRP 27 5.994 -6.975 -2.581 195 2HB TRP 27 1HB TRP 27 4.985 -5.593 -2.199 196 HD1 TRP 27 HD1 TRP 27 5.984 -3.273 -3.319 197 HE1 TRP 27 HE1 TRP 27 7.172 -2.799 -5.586 198 HE3 TRP 27 HE3 TRP 27 7.249 -8.113 -4.672 199 HZ2 TRP 27 HZ2 TRP 27 8.634 -4.343 -7.539 200 HZ3 TRP 27 HZ3 TRP 27 8.068 -8.506 -6.892 201 HH2 TRP 27 HH2 TRP 27 8.985 -6.703 -8.242 202 H ALA 28 H ALA 28 7.920 -7.598 -2.313 203 HA ALA 28 HA ALA 28 10.117 -6.448 -3.663 204 1HB ALA 28 1HB ALA 28 10.843 -8.253 -1.332 205 2HB ALA 28 2HB ALA 28 11.946 -7.654 -2.587 206 3HB ALA 28 3HB ALA 28 11.218 -6.505 -1.442 207 HA PRO 29 HA PRO 29 9.019 -10.107 -6.120 208 1HB PRO 29 2HB PRO 29 11.958 -10.207 -5.957 209 2HB PRO 29 1HB PRO 29 10.982 -10.831 -7.326 210 1HG PRO 29 2HG PRO 29 12.125 -8.357 -7.431 211 2HG PRO 29 1HG PRO 29 10.365 -8.432 -7.733 212 1HD PRO 29 2HD PRO 29 11.821 -7.635 -5.192 213 2HD PRO 29 1HD PRO 29 10.337 -6.986 -5.838 214 H TRP 30 H TRP 30 11.728 -10.979 -3.896 215 HA TRP 30 HA TRP 30 11.025 -13.734 -3.800 216 1HB TRP 30 1HB TRP 30 12.468 -13.743 -1.768 217 2HB TRP 30 2HB TRP 30 13.207 -12.995 -3.177 218 HD1 TRP 30 HD1 TRP 30 14.126 -10.620 -2.918 219 HE1 TRP 30 HE1 TRP 30 14.216 -8.861 -1.025 220 HE3 TRP 30 HE3 TRP 30 10.971 -12.843 0.463 221 HZ2 TRP 30 HZ2 TRP 30 13.058 -8.459 1.549 222 HZ3 TRP 30 HZ3 TRP 30 10.421 -11.701 2.581 223 HH2 TRP 30 HH2 TRP 30 11.426 -9.499 3.124 224 H CYS 31 H CYS 31 9.354 -11.074 -2.461 225 HA CYS 31 HA CYS 31 8.446 -12.339 0.020 226 1HB CYS 31 1HB CYS 31 8.629 -9.884 -0.191 227 2HB CYS 31 2HB CYS 31 7.382 -9.928 -1.449 228 H GLY 32 H GLY 32 7.801 -14.353 -1.044 229 1HA GLY 32 2HA GLY 32 5.861 -15.010 -2.750 230 2HA GLY 32 1HA GLY 32 5.922 -15.783 -1.163 231 HA PRO 33 HA PRO 33 2.138 -14.018 0.312 232 1HB PRO 33 1HB PRO 33 3.611 -11.898 1.857 233 2HB PRO 33 2HB PRO 33 2.199 -12.866 2.380 234 1HG PRO 33 1HG PRO 33 4.651 -13.577 3.201 235 2HG PRO 33 2HG PRO 33 3.586 -14.850 2.527 236 1HD PRO 33 1HD PRO 33 5.822 -13.369 1.127 237 2HD PRO 33 2HD PRO 33 5.456 -15.118 1.102 238 H CYS 34 H CYS 34 4.435 -11.395 -0.467 239 HA CYS 34 HA CYS 34 2.574 -9.297 -1.030 240 1HB CYS 34 1HB CYS 34 5.195 -9.578 -2.353 241 2HB CYS 34 2HB CYS 34 4.197 -8.190 -2.068 242 H ARG 35 HN ARG 35 4.360 -11.744 -2.996 243 HA ARG 35 HA ARG 35 3.327 -10.944 -5.527 244 1HB ARG 35 2HB ARG 35 4.413 -13.640 -4.564 245 2HB ARG 35 1HB ARG 35 4.066 -13.218 -6.225 246 1HG ARG 35 2HG ARG 35 6.224 -12.060 -4.426 247 2HG ARG 35 1HG ARG 35 6.420 -12.967 -5.921 248 1HD ARG 35 2HD ARG 35 5.436 -10.120 -5.560 249 2HD ARG 35 1HD ARG 35 6.891 -10.680 -6.396 250 HE ARG 35 HE ARG 35 4.886 -11.918 -7.790 251 1HH1 ARG 35 2HH2 ARG 35 5.632 -8.551 -7.003 252 2HH1 ARG 35 1HH2 ARG 35 4.776 -7.895 -8.369 253 1HH2 ARG 35 2HH1 ARG 35 3.750 -11.072 -9.567 254 2HH2 ARG 35 1HH1 ARG 35 3.695 -9.356 -9.861 255 H ILE 36 H ILE 36 2.166 -13.498 -3.250 256 HA ILE 36 HA ILE 36 0.024 -14.144 -5.118 257 HB ILE 36 HB ILE 36 -0.897 -15.600 -3.429 258 1HG1 ILE 36 2HG1 ILE 36 0.644 -16.019 -1.371 259 2HG1 ILE 36 1HG1 ILE 36 1.134 -14.347 -1.588 260 1HG2 ILE 36 1HG2 ILE 36 2.137 -15.825 -3.648 261 2HG2 ILE 36 2HG2 ILE 36 0.981 -17.143 -3.387 262 3HG2 ILE 36 3HG2 ILE 36 0.982 -16.265 -4.921 263 1HD1 ILE 36 1HD1 ILE 36 -1.699 -15.401 -1.119 264 2HD1 ILE 36 2HD1 ILE 36 -1.300 -13.686 -1.306 265 3HD1 ILE 36 3HD1 ILE 36 -0.676 -14.587 0.081 266 H ILE 37 H ILE 37 0.230 -11.656 -2.535 267 HA ILE 37 HA ILE 37 -2.675 -11.192 -2.876 268 HB ILE 37 HB ILE 37 -2.481 -9.278 -1.473 269 1HG1 ILE 37 1HG1 ILE 37 0.488 -9.797 -1.461 270 2HG1 ILE 37 2HG1 ILE 37 -0.334 -8.348 -2.043 271 1HG2 ILE 37 1HG2 ILE 37 -0.953 -11.597 -0.225 272 2HG2 ILE 37 2HG2 ILE 37 -2.064 -10.467 0.568 273 3HG2 ILE 37 3HG2 ILE 37 -2.689 -11.639 -0.589 274 1HD1 ILE 37 1HD1 ILE 37 -1.148 -7.980 0.336 275 2HD1 ILE 37 2HD1 ILE 37 0.612 -7.865 0.119 276 3HD1 ILE 37 3HD1 ILE 37 -0.085 -9.319 0.838 277 H ALA 38 H ALA 38 0.332 -9.735 -4.308 278 HA ALA 38 HA ALA 38 -0.329 -7.662 -5.528 279 1HB ALA 38 1HB ALA 38 1.718 -8.949 -5.975 280 2HB ALA 38 2HB ALA 38 1.034 -8.214 -7.431 281 3HB ALA 38 3HB ALA 38 0.832 -9.945 -7.149 282 HA PRO 39 HA PRO 39 -3.034 -9.361 -9.188 283 1HB PRO 39 1HB PRO 39 -4.548 -11.565 -7.831 284 2HB PRO 39 2HB PRO 39 -3.930 -11.501 -9.503 285 1HG PRO 39 2HG PRO 39 -2.717 -13.062 -7.612 286 2HG PRO 39 1HG PRO 39 -1.739 -12.131 -8.788 287 1HD PRO 39 1HD PRO 39 -2.479 -11.318 -5.954 288 2HD PRO 39 2HD PRO 39 -0.871 -11.353 -6.707 289 H VAL 40 H VAL 40 -3.951 -9.770 -5.810 290 HA VAL 40 HA VAL 40 -6.631 -8.672 -6.087 291 HB VAL 40 HB VAL 40 -5.187 -9.054 -3.445 292 1HG1 VAL 40 1HG1 VAL 40 -7.532 -8.137 -3.631 293 2HG1 VAL 40 2HG1 VAL 40 -7.438 -9.676 -2.736 294 3HG1 VAL 40 3HG1 VAL 40 -8.000 -9.669 -4.410 295 1HG2 VAL 40 1HG2 VAL 40 -4.650 -11.180 -4.561 296 2HG2 VAL 40 2HG2 VAL 40 -6.311 -11.304 -5.179 297 3HG2 VAL 40 3HG2 VAL 40 -5.982 -11.438 -3.441 298 H VAL 41 H VAL 41 -3.467 -7.671 -4.741 299 HA VAL 41 HA VAL 41 -4.132 -4.998 -3.948 300 HB VAL 41 HB VAL 41 -1.866 -6.646 -3.976 301 1HG1 VAL 41 1HG2 VAL 41 -0.840 -4.988 -2.551 302 2HG1 VAL 41 2HG2 VAL 41 -2.580 -4.815 -2.261 303 3HG1 VAL 41 3HG2 VAL 41 -1.722 -3.669 -3.305 304 1HG2 VAL 41 1HG1 VAL 41 -1.136 -5.778 -6.179 305 2HG2 VAL 41 2HG1 VAL 41 -0.932 -4.200 -5.419 306 3HG2 VAL 41 3HG1 VAL 41 -0.018 -5.597 -4.826 307 H ASP 42 HN ASP 42 -3.373 -6.342 -7.160 308 HA ASP 42 HA ASP 42 -3.632 -3.771 -8.470 309 1HB ASP 42 2HB ASP 42 -2.579 -5.866 -9.452 310 2HB ASP 42 1HB ASP 42 -4.203 -6.489 -9.723 311 H GLU 43 HN GLU 43 -5.895 -6.531 -8.299 312 HA GLU 43 HA GLU 43 -8.015 -5.316 -9.581 313 1HB GLU 43 1HB GLU 43 -9.253 -7.070 -9.034 314 2HB GLU 43 2HB GLU 43 -7.745 -7.757 -8.443 315 1HG GLU 43 2HG GLU 43 -8.419 -7.015 -6.107 316 2HG GLU 43 1HG GLU 43 -9.927 -6.386 -6.778 317 H ILE 44 H ILE 44 -7.243 -4.934 -6.106 318 HA ILE 44 HA ILE 44 -9.540 -3.509 -5.338 319 HB ILE 44 HB ILE 44 -6.643 -3.278 -4.424 320 1HG1 ILE 44 2HG1 ILE 44 -7.830 -5.470 -4.016 321 2HG1 ILE 44 1HG1 ILE 44 -7.273 -4.644 -2.568 322 1HG2 ILE 44 1HG2 ILE 44 -9.123 -2.021 -3.167 323 2HG2 ILE 44 2HG2 ILE 44 -7.707 -1.176 -3.792 324 3HG2 ILE 44 3HG2 ILE 44 -7.552 -2.194 -2.358 325 1HD1 ILE 44 1HD1 ILE 44 -10.147 -4.723 -3.589 326 2HD1 ILE 44 2HD1 ILE 44 -9.459 -5.692 -2.287 327 3HD1 ILE 44 3HD1 ILE 44 -9.597 -3.940 -2.086 328 H ALA 45 H ALA 45 -6.663 -2.257 -7.081 329 HA ALA 45 HA ALA 45 -7.507 0.523 -6.898 330 1HB ALA 45 1HB ALA 45 -5.164 -0.051 -7.334 331 2HB ALA 45 2HB ALA 45 -5.640 -0.919 -8.806 332 3HB ALA 45 3HB ALA 45 -5.833 0.846 -8.699 333 H GLY 46 H GLY 46 -8.347 -2.215 -8.949 334 1HA GLY 46 1HA GLY 46 -9.620 -0.674 -11.071 335 2HA GLY 46 2HA GLY 46 -9.747 -2.408 -10.748 336 H GLU 47 HN GLU 47 -10.681 -2.518 -8.168 337 HA GLU 47 HA GLU 47 -13.483 -1.967 -8.540 338 1HB GLU 47 1HB GLU 47 -11.868 -3.082 -6.210 339 2HB GLU 47 2HB GLU 47 -13.634 -3.010 -6.281 340 1HG GLU 47 1HG GLU 47 -13.608 -4.456 -8.297 341 2HG GLU 47 2HG GLU 47 -11.842 -4.533 -8.233 342 H TYR 48 H TYR 48 -11.287 -0.951 -5.911 343 HA TYR 48 HA TYR 48 -13.317 0.951 -4.897 344 1HB TYR 48 1HB TYR 48 -10.596 0.077 -3.863 345 2HB TYR 48 2HB TYR 48 -11.664 1.203 -3.034 346 HD1 TYR 48 HD1 TYR 48 -13.624 0.480 -1.820 347 HD2 TYR 48 HD2 TYR 48 -11.281 -2.348 -4.072 348 HE1 TYR 48 HE1 TYR 48 -14.794 -1.384 -0.699 349 HE2 TYR 48 HE2 TYR 48 -12.507 -4.218 -2.992 350 HH TYR 48 HH TYR 48 -14.883 -3.684 -0.390 351 H LYS 49 HN LYS 49 -11.671 1.330 -7.450 352 HA LYS 49 HA LYS 49 -9.792 3.248 -7.587 353 1HB LYS 49 2HB LYS 49 -10.819 3.843 -9.762 354 2HB LYS 49 1HB LYS 49 -10.893 2.103 -9.426 355 1HG LYS 49 1HG LYS 49 -13.257 2.339 -8.701 356 2HG LYS 49 2HG LYS 49 -13.245 4.012 -9.288 357 1HD LYS 49 2HD LYS 49 -13.016 3.390 -11.520 358 2HD LYS 49 1HD LYS 49 -12.401 1.776 -11.143 359 1HE LYS 49 1HE LYS 49 -15.255 2.681 -10.550 360 2HE LYS 49 2HE LYS 49 -14.747 1.754 -11.972 361 1HZ LYS 49 1HZ LYS 49 -15.544 0.271 -10.351 362 2HZ LYS 49 2HZ LYS 49 -13.906 0.065 -10.461 363 3HZ LYS 49 3HZ LYS 49 -14.545 0.857 -9.178 364 H ASP 50 HN ASP 50 -13.148 3.739 -7.080 365 HA ASP 50 HA ASP 50 -13.800 6.356 -7.123 366 1HB ASP 50 2HB ASP 50 -15.169 4.394 -6.282 367 2HB ASP 50 1HB ASP 50 -14.368 4.535 -4.725 368 H LYS 51 HN LYS 51 -12.045 4.788 -4.520 369 HA LYS 51 HA LYS 51 -11.055 7.439 -3.502 370 1HB LYS 51 1HB LYS 51 -12.222 5.110 -1.966 371 2HB LYS 51 2HB LYS 51 -11.071 6.150 -1.194 372 1HG LYS 51 2HG LYS 51 -12.483 8.126 -1.626 373 2HG LYS 51 1HG LYS 51 -13.606 7.176 -2.594 374 1HD LYS 51 1HD LYS 51 -13.124 6.756 0.398 375 2HD LYS 51 2HD LYS 51 -14.438 7.699 -0.317 376 1HE LYS 51 2HE LYS 51 -15.160 5.626 -1.589 377 2HE LYS 51 1HE LYS 51 -14.005 4.695 -0.618 378 1HZ LYS 51 1HZ LYS 51 -15.199 5.397 1.341 379 2HZ LYS 51 2HZ LYS 51 -16.238 6.288 0.425 380 3HZ LYS 51 3HZ LYS 51 -16.205 4.651 0.279 381 H LEU 52 H LEU 52 -10.508 3.917 -3.438 382 HA LEU 52 HA LEU 52 -7.962 4.472 -2.143 383 1HB LEU 52 1HB LEU 52 -9.701 2.738 -1.495 384 2HB LEU 52 2HB LEU 52 -9.089 1.756 -2.829 385 HG LEU 52 HG LEU 52 -6.889 1.646 -1.797 386 1HD1 LEU 52 1HD2 LEU 52 -6.474 3.752 -0.731 387 2HD1 LEU 52 2HD2 LEU 52 -7.954 3.628 0.253 388 3HD1 LEU 52 3HD2 LEU 52 -6.574 2.580 0.576 389 1HD2 LEU 52 1HD1 LEU 52 -9.147 1.349 0.271 390 2HD2 LEU 52 2HD1 LEU 52 -7.620 0.448 0.282 391 3HD2 LEU 52 3HD1 LEU 52 -8.808 0.173 -1.016 392 H LYS 53 HN LYS 53 -6.236 4.901 -3.162 393 HA LYS 53 HA LYS 53 -5.682 3.891 -5.875 394 1HB LYS 53 2HB LYS 53 -5.162 6.282 -4.530 395 2HB LYS 53 1HB LYS 53 -3.621 5.478 -4.430 396 1HG LYS 53 1HG LYS 53 -5.116 5.905 -7.032 397 2HG LYS 53 2HG LYS 53 -3.792 6.898 -6.402 398 1HD LYS 53 2HD LYS 53 -2.290 4.893 -6.388 399 2HD LYS 53 1HD LYS 53 -3.591 3.910 -7.070 400 1HE LYS 53 1HE LYS 53 -2.107 4.553 -8.855 401 2HE LYS 53 2HE LYS 53 -3.649 5.396 -9.079 402 1HZ LYS 53 1HZ LYS 53 -1.755 6.823 -9.411 403 2HZ LYS 53 2HZ LYS 53 -1.227 6.547 -7.874 404 3HZ LYS 53 3HZ LYS 53 -2.645 7.346 -8.129 405 H CYS 54 H CYS 54 -5.367 1.607 -5.485 406 HA CYS 54 HA CYS 54 -3.607 0.820 -3.291 407 1HB CYS 54 1HB CYS 54 -5.571 -0.541 -4.192 408 2HB CYS 54 2HB CYS 54 -4.489 -1.019 -5.532 409 HG CYS 54 HG CYS 54 -3.231 -2.596 -4.396 410 H VAL 55 H VAL 55 -1.429 0.041 -3.455 411 HA VAL 55 HA VAL 55 -0.113 -0.085 -6.039 412 HB VAL 55 HB VAL 55 1.423 1.746 -5.810 413 1HG1 VAL 55 1HG2 VAL 55 1.925 1.583 -3.459 414 2HG1 VAL 55 2HG2 VAL 55 0.307 2.298 -3.135 415 3HG1 VAL 55 3HG2 VAL 55 1.582 3.234 -3.963 416 1HG2 VAL 55 1HG1 VAL 55 -0.835 2.743 -6.512 417 2HG2 VAL 55 2HG1 VAL 55 -1.123 3.081 -4.796 418 3HG2 VAL 55 3HG1 VAL 55 0.221 3.845 -5.644 419 H LYS 56 HN LYS 56 2.376 -0.283 -5.678 420 HA LYS 56 HA LYS 56 2.979 -1.603 -3.113 421 1HB LYS 56 2HB LYS 56 3.686 -3.609 -4.170 422 2HB LYS 56 1HB LYS 56 2.089 -3.226 -4.813 423 1HG LYS 56 1HG LYS 56 3.326 -2.101 -6.801 424 2HG LYS 56 2HG LYS 56 4.784 -2.848 -6.183 425 1HD LYS 56 2HD LYS 56 4.151 -4.431 -7.726 426 2HD LYS 56 1HD LYS 56 3.433 -5.088 -6.251 427 1HE LYS 56 1HE LYS 56 1.803 -5.205 -8.065 428 2HE LYS 56 2HE LYS 56 1.248 -3.995 -6.902 429 1HZ LYS 56 1HZ LYS 56 1.085 -3.288 -9.218 430 2HZ LYS 56 2HZ LYS 56 2.067 -2.294 -8.362 431 3HZ LYS 56 3HZ LYS 56 2.715 -3.407 -9.391 432 H LEU 57 H LEU 57 5.076 -1.339 -2.422 433 HA LEU 57 HA LEU 57 6.905 0.182 -4.203 434 1HB LEU 57 2HB LEU 57 7.149 1.674 -2.760 435 2HB LEU 57 1HB LEU 57 5.759 1.091 -1.864 436 HG LEU 57 HG LEU 57 7.525 0.005 -0.319 437 1HD1 LEU 57 1HD1 LEU 57 7.347 3.015 -0.880 438 2HD1 LEU 57 2HD1 LEU 57 8.087 2.363 0.572 439 3HD1 LEU 57 3HD1 LEU 57 6.359 2.075 0.258 440 1HD2 LEU 57 1HD2 LEU 57 9.546 0.128 -1.819 441 2HD2 LEU 57 2HD2 LEU 57 9.340 1.886 -1.913 442 3HD2 LEU 57 3HD2 LEU 57 9.764 1.101 -0.378 443 H ASN 58 H ASN 58 8.774 -0.651 -4.761 444 HA ASN 58 HA ASN 58 9.449 -3.261 -3.649 445 1HB ASN 58 1HB ASN 58 9.765 -2.780 -6.042 446 2HB ASN 58 2HB ASN 58 10.971 -1.558 -5.652 447 1HD2 ASN 58 2HD2 ASN 58 10.704 -4.690 -6.679 448 2HD2 ASN 58 1HD2 ASN 58 12.224 -5.310 -6.052 449 H THR 59 H THR 59 10.252 -3.421 -1.806 450 HA THR 59 HA THR 59 11.304 -1.362 -0.173 451 HB THR 59 HB THR 59 11.358 -4.414 0.023 452 HG1 THR 59 HG1 THR 59 9.294 -3.658 -0.136 453 1HG2 THR 59 1HG2 THR 59 12.924 -3.502 1.622 454 2HG2 THR 59 2HG2 THR 59 11.448 -4.028 2.454 455 3HG2 THR 59 3HG2 THR 59 11.726 -2.288 2.150 456 H ASP 60 HN ASP 60 12.870 -3.832 -2.163 457 HA ASP 60 HA ASP 60 15.521 -3.543 -0.984 458 1HB ASP 60 2HB ASP 60 14.792 -5.634 -1.872 459 2HB ASP 60 1HB ASP 60 14.298 -4.909 -3.385 460 H GLU 61 HN GLU 61 13.797 -2.327 -3.819 461 HA GLU 61 HA GLU 61 16.027 -0.786 -4.886 462 1HB GLU 61 2HB GLU 61 14.239 -1.798 -6.280 463 2HB GLU 61 1HB GLU 61 13.041 -0.804 -5.438 464 1HG GLU 61 1HG GLU 61 13.520 0.106 -7.639 465 2HG GLU 61 2HG GLU 61 13.989 1.252 -6.390 466 H SER 62 H SER 62 13.366 -0.210 -2.625 467 HA SER 62 HA SER 62 14.190 2.649 -2.269 468 1HB SER 62 1HB SER 62 11.455 1.469 -2.688 469 2HB SER 62 2HB SER 62 11.774 3.071 -2.023 470 HG SER 62 HG SER 62 13.341 2.716 -4.170 471 HA PRO 63 HA PRO 63 14.104 0.203 1.757 472 1HB PRO 63 2HB PRO 63 16.704 0.694 2.473 473 2HB PRO 63 1HB PRO 63 16.201 -0.594 1.349 474 1HG PRO 63 1HG PRO 63 17.309 2.073 0.535 475 2HG PRO 63 2HG PRO 63 17.824 0.446 0.013 476 1HD PRO 63 1HD PRO 63 16.040 1.854 -1.463 477 2HD PRO 63 2HD PRO 63 15.842 0.103 -1.251 478 H ASN 64 H ASN 64 15.541 3.062 0.648 479 HA ASN 64 HA ASN 64 15.838 4.892 2.648 480 1HB ASN 64 1HB ASN 64 14.346 5.457 0.048 481 2HB ASN 64 2HB ASN 64 15.028 6.692 1.119 482 1HD2 ASN 64 2HD2 ASN 64 15.822 6.496 -1.663 483 2HD2 ASN 64 1HD2 ASN 64 17.487 5.962 -1.634 484 H VAL 65 H VAL 65 12.623 4.787 1.076 485 HA VAL 65 HA VAL 65 11.325 6.176 3.190 486 HB VAL 65 HB VAL 65 10.377 4.464 0.867 487 1HG1 VAL 65 1HG2 VAL 65 8.629 6.030 2.803 488 2HG1 VAL 65 2HG2 VAL 65 8.641 4.264 2.619 489 3HG1 VAL 65 3HG2 VAL 65 8.117 5.272 1.275 490 1HG2 VAL 65 1HG1 VAL 65 10.346 7.451 1.545 491 2HG2 VAL 65 2HG1 VAL 65 11.413 6.660 0.376 492 3HG2 VAL 65 3HG1 VAL 65 9.660 6.742 0.075 493 H ALA 66 H ALA 66 11.571 2.709 2.493 494 HA ALA 66 HA ALA 66 9.940 1.756 4.594 495 1HB ALA 66 1HB ALA 66 11.149 -0.342 4.401 496 2HB ALA 66 2HB ALA 66 10.940 0.341 2.777 497 3HB ALA 66 3HB ALA 66 12.510 0.446 3.599 498 H SER 67 H SER 67 13.293 2.905 4.716 499 HA SER 67 HA SER 67 13.724 2.157 7.484 500 1HB SER 67 2HB SER 67 15.250 4.169 5.770 501 2HB SER 67 1HB SER 67 15.798 3.383 7.259 502 HG SER 67 HG SER 67 15.133 2.073 4.816 503 H GLU 68 HN GLU 68 12.952 5.166 5.738 504 HA GLU 68 HA GLU 68 12.892 6.959 7.933 505 1HB GLU 68 1HB GLU 68 11.207 6.886 5.398 506 2HB GLU 68 2HB GLU 68 11.245 8.250 6.511 507 1HG GLU 68 2HG GLU 68 13.487 8.790 6.020 508 2HG GLU 68 1HG GLU 68 13.835 7.218 5.306 509 H TYR 69 H TYR 69 10.284 4.884 6.609 510 HA TYR 69 HA TYR 69 8.383 5.693 8.693 511 1HB TYR 69 2HB TYR 69 8.367 3.761 6.360 512 2HB TYR 69 1HB TYR 69 7.159 3.643 7.625 513 HD1 TYR 69 HD1 TYR 69 8.677 6.142 5.254 514 HD2 TYR 69 HD2 TYR 69 5.270 5.099 7.680 515 HE1 TYR 69 HE1 TYR 69 7.544 8.210 4.541 516 HE2 TYR 69 HE2 TYR 69 4.136 7.191 6.961 517 HH TYR 69 HH TYR 69 5.738 9.607 4.897 518 H GLY 70 H GLY 70 10.595 2.945 8.141 519 1HA GLY 70 2HA GLY 70 11.625 1.745 9.850 520 2HA GLY 70 1HA GLY 70 10.425 2.302 11.022 521 H ILE 71 H ILE 71 10.339 0.577 7.880 522 HA ILE 71 HA ILE 71 8.145 -1.144 8.635 523 HB ILE 71 HB ILE 71 10.210 -1.333 6.397 524 1HG1 ILE 71 1HG1 ILE 71 8.790 0.744 6.358 525 2HG1 ILE 71 2HG1 ILE 71 8.620 -0.315 4.964 526 1HG2 ILE 71 1HG2 ILE 71 7.607 -2.859 6.834 527 2HG2 ILE 71 2HG2 ILE 71 8.448 -2.764 5.270 528 3HG2 ILE 71 3HG2 ILE 71 9.246 -3.518 6.652 529 1HD1 ILE 71 1HD1 ILE 71 6.484 0.665 5.764 530 2HD1 ILE 71 2HD1 ILE 71 6.648 -0.222 7.282 531 3HD1 ILE 71 3HD1 ILE 71 6.458 -1.102 5.744 532 H ARG 72 HN ARG 72 8.183 -3.042 9.741 533 HA ARG 72 HA ARG 72 10.695 -3.912 10.909 534 1HB ARG 72 1HB ARG 72 8.227 -3.896 11.908 535 2HB ARG 72 2HB ARG 72 8.070 -5.422 11.060 536 1HG ARG 72 2HG ARG 72 8.699 -5.944 13.284 537 2HG ARG 72 1HG ARG 72 10.124 -6.254 12.291 538 1HD ARG 72 1HD ARG 72 10.708 -5.176 14.401 539 2HD ARG 72 2HD ARG 72 11.145 -4.113 13.086 540 HE ARG 72 HE ARG 72 8.999 -3.811 15.107 541 1HH1 ARG 72 2HH2 ARG 72 10.481 -2.416 12.207 542 2HH1 ARG 72 1HH2 ARG 72 9.570 -0.940 12.276 543 1HH2 ARG 72 2HH1 ARG 72 7.948 -1.819 15.319 544 2HH2 ARG 72 1HH1 ARG 72 8.215 -0.545 14.159 545 H SER 73 H SER 73 8.449 -5.198 8.458 546 HA SER 73 HA SER 73 10.411 -6.735 7.092 547 1HB SER 73 1HB SER 73 8.365 -8.199 8.833 548 2HB SER 73 2HB SER 73 9.135 -8.956 7.437 549 HG SER 73 HG SER 73 10.789 -7.758 9.352 550 H ILE 74 H ILE 74 8.974 -8.099 5.370 551 HA ILE 74 HA ILE 74 6.580 -6.480 4.682 552 HB ILE 74 HB ILE 74 7.190 -6.888 2.294 553 1HG1 ILE 74 1HG1 ILE 74 9.989 -7.500 3.297 554 2HG1 ILE 74 2HG1 ILE 74 8.849 -8.725 2.701 555 1HG2 ILE 74 1HG2 ILE 74 9.226 -5.231 3.870 556 2HG2 ILE 74 2HG2 ILE 74 8.644 -4.937 2.220 557 3HG2 ILE 74 3HG2 ILE 74 7.548 -4.729 3.581 558 1HD1 ILE 74 1HD1 ILE 74 10.277 -8.095 0.878 559 2HD1 ILE 74 2HD1 ILE 74 9.935 -6.377 1.097 560 3HD1 ILE 74 3HD1 ILE 74 8.653 -7.486 0.552 561 HA PRO 75 HA PRO 75 4.970 -6.938 2.772 562 1HB PRO 75 1HB PRO 75 2.341 -7.580 3.062 563 2HB PRO 75 2HB PRO 75 3.403 -8.292 1.846 564 1HG PRO 75 1HG PRO 75 2.736 -9.414 4.611 565 2HG PRO 75 2HG PRO 75 2.602 -10.276 3.051 566 1HD PRO 75 1HD PRO 75 4.738 -10.496 4.756 567 2HD PRO 75 2HD PRO 75 5.005 -10.493 2.999 568 H THR 76 H THR 76 4.069 -5.124 3.439 569 HA THR 76 HA THR 76 2.758 -4.840 6.036 570 HB THR 76 HB THR 76 5.345 -3.357 5.433 571 HG1 THR 76 HG1 THR 76 5.798 -5.094 6.684 572 1HG2 THR 76 1HG2 THR 76 3.171 -2.762 7.496 573 2HG2 THR 76 2HG2 THR 76 3.730 -1.677 6.202 574 3HG2 THR 76 3HG2 THR 76 4.810 -2.089 7.542 575 H ILE 77 H ILE 77 0.960 -3.929 5.431 576 HA ILE 77 HA ILE 77 0.766 -2.280 2.981 577 HB ILE 77 HB ILE 77 -1.203 -3.764 4.767 578 1HG1 ILE 77 1HG1 ILE 77 -2.037 -4.451 2.456 579 2HG1 ILE 77 2HG1 ILE 77 -0.606 -3.687 1.769 580 1HG2 ILE 77 1HG2 ILE 77 -2.260 -1.618 4.599 581 2HG2 ILE 77 2HG2 ILE 77 -3.037 -2.664 3.420 582 3HG2 ILE 77 3HG2 ILE 77 -1.832 -1.472 2.884 583 1HD1 ILE 77 1HD1 ILE 77 -0.579 -5.940 3.839 584 2HD1 ILE 77 2HD1 ILE 77 0.836 -5.286 2.984 585 3HD1 ILE 77 3HD1 ILE 77 -0.406 -6.163 2.087 586 H MET 78 H MET 78 0.339 -0.079 3.167 587 HA MET 78 HA MET 78 -0.260 1.008 5.886 588 1HB MET 78 1HB MET 78 1.799 2.010 3.943 589 2HB MET 78 2HB MET 78 1.115 3.012 5.224 590 1HG MET 78 2HG MET 78 1.840 1.296 6.906 591 2HG MET 78 1HG MET 78 2.728 0.472 5.618 592 1HE MET 78 1HE MET 78 4.405 0.631 7.646 593 2HE MET 78 2HE MET 78 3.793 1.985 8.627 594 3HE MET 78 3HE MET 78 5.437 2.047 7.960 595 H VAL 79 H VAL 79 -1.931 2.277 5.889 596 HA VAL 79 HA VAL 79 -3.211 2.839 3.284 597 HB VAL 79 HB VAL 79 -4.378 3.010 6.100 598 1HG1 VAL 79 1HG1 VAL 79 -3.806 0.663 5.573 599 2HG1 VAL 79 2HG1 VAL 79 -5.546 0.925 5.617 600 3HG1 VAL 79 3HG1 VAL 79 -4.714 0.789 4.049 601 1HG2 VAL 79 1HG2 VAL 79 -5.707 3.028 3.351 602 2HG2 VAL 79 2HG2 VAL 79 -6.527 3.173 4.926 603 3HG2 VAL 79 3HG2 VAL 79 -5.464 4.461 4.362 604 H PHE 80 H PHE 80 -2.265 4.665 2.568 605 HA PHE 80 HA PHE 80 -1.733 6.947 4.364 606 1HB PHE 80 1HB PHE 80 -1.311 6.383 1.456 607 2HB PHE 80 2HB PHE 80 -1.168 8.017 2.106 608 HD1 PHE 80 HD1 PHE 80 0.657 8.663 3.552 609 HD2 PHE 80 HD2 PHE 80 0.177 4.542 2.404 610 HE1 PHE 80 HE1 PHE 80 2.898 8.146 4.488 611 HE2 PHE 80 HE2 PHE 80 2.450 4.040 3.313 612 HZ PHE 80 HZ PHE 80 3.764 5.787 4.410 613 H LYS 81 HN LYS 81 -3.190 8.467 4.721 614 HA LYS 81 HA LYS 81 -5.807 8.262 3.376 615 1HB LYS 81 2HB LYS 81 -5.354 7.878 5.915 616 2HB LYS 81 1HB LYS 81 -5.049 9.587 6.057 617 1HG LYS 81 1HG LYS 81 -7.328 8.694 6.776 618 2HG LYS 81 2HG LYS 81 -7.363 10.115 5.760 619 1HD LYS 81 2HD LYS 81 -9.051 8.593 5.037 620 2HD LYS 81 1HD LYS 81 -7.832 8.767 3.785 621 1HE LYS 81 2HE LYS 81 -8.284 6.422 3.831 622 2HE LYS 81 1HE LYS 81 -6.803 6.542 4.774 623 1HZ LYS 81 1HZ LYS 81 -8.390 5.185 5.869 624 2HZ LYS 81 2HZ LYS 81 -9.570 6.324 5.782 625 3HZ LYS 81 3HZ LYS 81 -8.262 6.567 6.752 626 H GLY 82 H GLY 82 -6.059 11.058 4.770 627 1HA GLY 82 2HA GLY 82 -5.491 12.688 2.456 628 2HA GLY 82 1HA GLY 82 -6.060 13.183 4.064 629 H GLY 83 H GLY 83 -3.166 11.927 2.368 630 1HA GLY 83 2HA GLY 83 -0.975 12.758 2.346 631 2HA GLY 83 1HA GLY 83 -1.382 13.955 3.574 632 H LYS 84 HN LYS 84 -2.188 12.745 5.672 633 HA LYS 84 HA LYS 84 0.140 11.197 6.638 634 1HB LYS 84 2HB LYS 84 -2.378 12.123 8.079 635 2HB LYS 84 1HB LYS 84 -0.920 11.506 8.851 636 1HG LYS 84 2HG LYS 84 -1.181 14.076 7.209 637 2HG LYS 84 1HG LYS 84 -1.029 13.965 8.962 638 1HD LYS 84 2HD LYS 84 1.111 13.222 6.905 639 2HD LYS 84 1HD LYS 84 1.074 14.647 7.939 640 1HE LYS 84 1HE LYS 84 1.178 13.166 9.966 641 2HE LYS 84 2HE LYS 84 1.360 11.762 8.895 642 1HZ LYS 84 1HZ LYS 84 3.184 14.050 9.025 643 2HZ LYS 84 2HZ LYS 84 3.452 12.554 9.659 644 3HZ LYS 84 3HZ LYS 84 3.342 12.748 8.026 645 H LYS 85 HN LYS 85 -0.376 9.245 8.121 646 HA LYS 85 HA LYS 85 -1.887 7.359 6.438 647 1HB LYS 85 1HB LYS 85 -0.202 6.931 8.917 648 2HB LYS 85 2HB LYS 85 -0.957 5.664 7.931 649 1HG LYS 85 2HG LYS 85 0.372 6.574 5.947 650 2HG LYS 85 1HG LYS 85 1.332 7.488 7.121 651 1HD LYS 85 2HD LYS 85 0.917 4.473 6.902 652 2HD LYS 85 1HD LYS 85 2.438 5.340 6.681 653 1HE LYS 85 1HE LYS 85 0.875 4.932 9.274 654 2HE LYS 85 2HE LYS 85 2.413 4.177 8.829 655 1HZ LYS 85 1HZ LYS 85 3.439 6.324 8.849 656 2HZ LYS 85 2HZ LYS 85 2.016 7.053 9.253 657 3HZ LYS 85 3HZ LYS 85 2.738 6.013 10.307 658 H CYS 86 H CYS 86 -3.534 6.096 7.057 659 HA CYS 86 HA CYS 86 -5.092 6.799 9.486 660 1HB CYS 86 1HB CYS 86 -6.278 6.520 7.377 661 2HB CYS 86 2HB CYS 86 -5.627 4.898 7.141 662 HG CYS 86 HG CYS 86 -7.225 5.893 9.849 663 H GLU 87 HN GLU 87 -3.743 3.973 7.834 664 HA GLU 87 HA GLU 87 -3.229 2.591 10.433 665 1HB GLU 87 2HB GLU 87 -4.807 1.601 8.026 666 2HB GLU 87 1HB GLU 87 -4.046 0.451 9.114 667 1HG GLU 87 1HG GLU 87 -6.019 2.552 10.090 668 2HG GLU 87 2HG GLU 87 -6.458 0.935 9.526 669 H THR 88 H THR 88 -1.934 0.707 10.265 670 HA THR 88 HA THR 88 -0.139 0.328 7.993 671 HB THR 88 HB THR 88 1.129 1.863 9.396 672 HG1 THR 88 HG1 THR 88 2.829 0.313 9.999 673 1HG2 THR 88 1HG2 THR 88 0.768 -0.097 11.714 674 2HG2 THR 88 2HG2 THR 88 -0.032 1.485 11.588 675 3HG2 THR 88 3HG2 THR 88 1.728 1.390 11.714 676 H ILE 89 H ILE 89 -0.067 -1.934 7.698 677 HA ILE 89 HA ILE 89 -1.045 -3.664 9.912 678 HB ILE 89 HB ILE 89 -2.133 -3.893 7.080 679 1HG1 ILE 89 2HG1 ILE 89 -3.498 -2.370 9.344 680 2HG1 ILE 89 1HG1 ILE 89 -2.849 -1.657 7.854 681 1HG2 ILE 89 1HG2 ILE 89 -2.234 -5.829 8.739 682 2HG2 ILE 89 2HG2 ILE 89 -3.800 -5.318 8.138 683 3HG2 ILE 89 3HG2 ILE 89 -3.269 -4.821 9.760 684 1HD1 ILE 89 1HD1 ILE 89 -4.401 -3.017 6.495 685 2HD1 ILE 89 2HD1 ILE 89 -5.179 -3.583 7.991 686 3HD1 ILE 89 3HD1 ILE 89 -5.197 -1.863 7.582 687 H ILE 90 H ILE 90 -0.005 -5.685 9.868 688 HA ILE 90 HA ILE 90 2.183 -6.024 7.910 689 HB ILE 90 HB ILE 90 1.201 -7.775 10.204 690 1HG1 ILE 90 2HG1 ILE 90 3.621 -5.915 9.945 691 2HG1 ILE 90 1HG1 ILE 90 2.171 -5.584 10.902 692 1HG2 ILE 90 1HG2 ILE 90 3.306 -9.035 9.863 693 2HG2 ILE 90 2HG2 ILE 90 2.329 -9.098 8.410 694 3HG2 ILE 90 3HG2 ILE 90 3.720 -7.995 8.483 695 1HD1 ILE 90 1HD1 ILE 90 2.649 -7.635 12.273 696 2HD1 ILE 90 2HD1 ILE 90 3.842 -6.328 12.413 697 3HD1 ILE 90 3HD1 ILE 90 4.221 -7.755 11.443 698 H GLY 91 H GLY 91 2.037 -7.544 6.190 699 1HA GLY 91 2HA GLY 91 -0.706 -8.175 5.342 700 2HA GLY 91 1HA GLY 91 0.758 -8.499 4.442 701 H ALA 92 H ALA 92 0.590 -10.717 4.051 702 HA ALA 92 HA ALA 92 0.579 -12.915 4.348 703 1HB ALA 92 1HB ALA 92 1.270 -13.947 6.413 704 2HB ALA 92 2HB ALA 92 2.229 -12.470 6.208 705 3HB ALA 92 3HB ALA 92 0.879 -12.514 7.367 706 H VAL 93 H VAL 93 -1.602 -11.138 6.499 707 HA VAL 93 HA VAL 93 -3.530 -13.266 6.734 708 HB VAL 93 HB VAL 93 -5.026 -11.513 7.556 709 1HG1 VAL 93 1HG2 VAL 93 -2.796 -9.517 6.940 710 2HG1 VAL 93 2HG2 VAL 93 -4.364 -9.608 6.112 711 3HG1 VAL 93 3HG2 VAL 93 -4.291 -9.195 7.827 712 1HG2 VAL 93 1HG1 VAL 93 -3.377 -12.572 9.070 713 2HG2 VAL 93 2HG1 VAL 93 -2.220 -11.268 8.723 714 3HG2 VAL 93 3HG1 VAL 93 -3.750 -10.905 9.543 715 HA PRO 94 HA PRO 94 -5.210 -13.036 2.685 716 1HB PRO 94 2HB PRO 94 -7.986 -12.981 3.772 717 2HB PRO 94 1HB PRO 94 -7.290 -14.108 2.583 718 1HG PRO 94 1HG PRO 94 -7.698 -14.925 5.165 719 2HG PRO 94 2HG PRO 94 -6.234 -15.407 4.259 720 1HD PRO 94 2HD PRO 94 -6.496 -13.239 6.339 721 2HD PRO 94 1HD PRO 94 -5.212 -14.441 6.110 722 H LYS 95 HN LYS 95 -5.926 -11.460 1.245 723 HA LYS 95 HA LYS 95 -5.850 -8.815 2.055 724 1HB LYS 95 2HB LYS 95 -5.441 -9.780 -0.279 725 2HB LYS 95 1HB LYS 95 -7.200 -9.853 -0.462 726 1HG LYS 95 1HG LYS 95 -6.381 -7.852 -1.538 727 2HG LYS 95 2HG LYS 95 -7.278 -7.352 -0.106 728 1HD LYS 95 2HD LYS 95 -5.114 -7.005 1.098 729 2HD LYS 95 1HD LYS 95 -4.233 -7.594 -0.324 730 1HE LYS 95 1HE LYS 95 -5.109 -5.706 -1.651 731 2HE LYS 95 2HE LYS 95 -6.088 -5.163 -0.273 732 1HZ LYS 95 1HZ LYS 95 -4.056 -3.941 -0.481 733 2HZ LYS 95 2HZ LYS 95 -4.090 -4.771 0.940 734 3HZ LYS 95 3HZ LYS 95 -3.159 -5.313 -0.303 735 H ALA 96 H ALA 96 -8.651 -10.977 1.799 736 HA ALA 96 HA ALA 96 -10.772 -9.138 1.922 737 1HB ALA 96 1HB ALA 96 -11.060 -11.577 1.687 738 2HB ALA 96 2HB ALA 96 -10.489 -11.818 3.355 739 3HB ALA 96 3HB ALA 96 -12.010 -10.952 3.049 740 H THR 97 H THR 97 -8.550 -10.232 4.493 741 HA THR 97 HA THR 97 -9.923 -9.135 6.740 742 HB THR 97 HB THR 97 -6.886 -9.456 6.518 743 HG1 THR 97 HG1 THR 97 -7.443 -11.275 5.639 744 1HG2 THR 97 1HG2 THR 97 -7.878 -8.718 8.692 745 2HG2 THR 97 2HG2 THR 97 -7.130 -10.327 8.786 746 3HG2 THR 97 3HG2 THR 97 -8.896 -10.183 8.696 747 H ILE 98 H ILE 98 -7.352 -7.989 4.576 748 HA ILE 98 HA ILE 98 -6.956 -5.401 5.779 749 HB ILE 98 HB ILE 98 -6.199 -6.712 3.137 750 1HG1 ILE 98 2HG1 ILE 98 -4.440 -5.704 5.404 751 2HG1 ILE 98 1HG1 ILE 98 -5.164 -7.312 5.444 752 1HG2 ILE 98 1HG2 ILE 98 -5.604 -3.875 4.132 753 2HG2 ILE 98 2HG2 ILE 98 -6.427 -4.323 2.621 754 3HG2 ILE 98 3HG2 ILE 98 -4.709 -4.665 2.827 755 1HD1 ILE 98 1HD1 ILE 98 -4.055 -7.944 3.361 756 2HD1 ILE 98 2HD1 ILE 98 -3.291 -6.343 3.254 757 3HD1 ILE 98 3HD1 ILE 98 -2.896 -7.429 4.595 758 H VAL 99 H VAL 99 -8.999 -6.541 3.053 759 HA VAL 99 HA VAL 99 -10.013 -4.043 2.245 760 HB VAL 99 HB VAL 99 -11.169 -6.845 2.189 761 1HG1 VAL 99 1HG1 VAL 99 -12.808 -5.946 0.508 762 2HG1 VAL 99 2HG1 VAL 99 -13.122 -5.415 2.159 763 3HG1 VAL 99 3HG1 VAL 99 -12.352 -4.303 1.000 764 1HG2 VAL 99 1HG2 VAL 99 -9.163 -6.264 0.745 765 2HG2 VAL 99 2HG2 VAL 99 -10.140 -4.996 -0.003 766 3HG2 VAL 99 3HG2 VAL 99 -10.604 -6.702 -0.188 767 H GLN 100 H GLN 100 -11.427 -6.400 4.622 768 HA GLN 100 HA GLN 100 -13.565 -4.728 5.456 769 1HB GLN 100 2HB GLN 100 -11.935 -6.856 6.894 770 2HB GLN 100 1HB GLN 100 -13.345 -6.078 7.632 771 1HG GLN 100 1HG GLN 100 -14.837 -6.880 5.984 772 2HG GLN 100 2HG GLN 100 -13.545 -7.371 4.885 773 1HE2 GLN 100 1HE2 GLN 100 -12.059 -9.078 5.624 774 2HE2 GLN 100 2HE2 GLN 100 -12.718 -10.382 6.623 775 H THR 101 H THR 101 -10.240 -4.990 6.754 776 HA THR 101 HA THR 101 -10.575 -3.096 8.839 777 HB THR 101 HB THR 101 -8.011 -3.722 7.310 778 HG1 THR 101 HG1 THR 101 -8.969 -5.610 8.111 779 1HG2 THR 101 1HG2 THR 101 -8.544 -2.676 10.131 780 2HG2 THR 101 2HG2 THR 101 -7.732 -1.795 8.817 781 3HG2 THR 101 3HG2 THR 101 -6.966 -3.220 9.540 782 H VAL 102 H VAL 102 -9.501 -2.540 5.416 783 HA VAL 102 HA VAL 102 -9.008 0.259 5.960 784 HB VAL 102 HB VAL 102 -7.988 -1.307 4.197 785 1HG1 VAL 102 1HG2 VAL 102 -7.495 1.130 4.497 786 2HG1 VAL 102 2HG2 VAL 102 -8.804 1.510 3.367 787 3HG1 VAL 102 3HG2 VAL 102 -7.369 0.626 2.805 788 1HG2 VAL 102 1HG1 VAL 102 -9.982 -1.971 2.980 789 2HG2 VAL 102 2HG1 VAL 102 -8.800 -1.191 1.941 790 3HG2 VAL 102 3HG1 VAL 102 -10.248 -0.298 2.447 791 H GLU 103 HN GLU 103 -11.624 -1.539 4.411 792 HA GLU 103 HA GLU 103 -13.278 0.489 3.488 793 1HB GLU 103 1HB GLU 103 -13.871 -2.189 4.777 794 2HB GLU 103 2HB GLU 103 -15.174 -1.115 4.281 795 1HG GLU 103 2HG GLU 103 -14.382 -1.041 1.984 796 2HG GLU 103 1HG GLU 103 -12.999 -2.065 2.374 797 H LYS 104 HN LYS 104 -13.137 -0.778 6.796 798 HA LYS 104 HA LYS 104 -15.055 0.666 8.150 799 1HB LYS 104 2HB LYS 104 -13.475 -1.025 9.108 800 2HB LYS 104 1HB LYS 104 -12.177 0.168 8.959 801 1HG LYS 104 1HG LYS 104 -13.481 1.662 10.568 802 2HG LYS 104 2HG LYS 104 -14.542 0.268 10.857 803 1HD LYS 104 1HD LYS 104 -12.555 -1.067 11.546 804 2HD LYS 104 2HD LYS 104 -11.497 0.284 11.121 805 1HE LYS 104 1HE LYS 104 -12.644 1.704 12.850 806 2HE LYS 104 2HE LYS 104 -13.581 0.281 13.347 807 1HZ LYS 104 1HZ LYS 104 -11.489 -0.797 13.854 808 2HZ LYS 104 2HZ LYS 104 -11.666 0.598 14.712 809 3HZ LYS 104 3HZ LYS 104 -10.651 0.556 13.416 810 H TYR 105 H TYR 105 -11.899 1.888 6.989 811 HA TYR 105 HA TYR 105 -12.356 4.551 8.248 812 1HB TYR 105 2HB TYR 105 -9.902 3.263 7.015 813 2HB TYR 105 1HB TYR 105 -9.952 4.808 7.865 814 HD1 TYR 105 HD1 TYR 105 -9.057 1.454 8.217 815 HD2 TYR 105 HD2 TYR 105 -11.042 4.632 10.344 816 HE1 TYR 105 HE1 TYR 105 -8.523 0.352 10.365 817 HE2 TYR 105 HE2 TYR 105 -10.378 3.594 12.501 818 HH TYR 105 HH TYR 105 -8.111 0.941 12.667 819 H LEU 106 H LEU 106 -13.337 3.277 5.422 820 HA LEU 106 HA LEU 106 -12.394 5.573 3.715 821 1HB LEU 106 2HB LEU 106 -13.342 2.762 3.125 822 2HB LEU 106 1HB LEU 106 -13.458 4.024 1.923 823 HG LEU 106 HG LEU 106 -11.303 2.345 2.286 824 1HD1 LEU 106 1HD2 LEU 106 -10.376 3.586 4.222 825 2HD1 LEU 106 2HD2 LEU 106 -10.346 5.077 3.251 826 3HD1 LEU 106 3HD2 LEU 106 -9.352 3.703 2.793 827 1HD2 LEU 106 1HD1 LEU 106 -11.451 5.058 0.927 828 2HD2 LEU 106 2HD1 LEU 106 -11.947 3.496 0.232 829 3HD2 LEU 106 3HD1 LEU 106 -10.241 3.810 0.579 830 H ASN 107 H ASN 107 -13.835 6.751 5.312 831 HA ASN 107 HA ASN 107 -16.291 7.373 4.039 832 1HB ASN 107 1HB ASN 107 -16.815 5.319 5.585 833 2HB ASN 107 2HB ASN 107 -16.477 6.412 6.929 834 1HD2 ASN 107 2HD2 ASN 107 -17.701 8.814 5.895 835 2HD2 ASN 107 1HD2 ASN 107 -19.442 8.503 5.798 Start of MODEL 23 1 1H MET 1 1H MET 1 -8.120 3.949 -8.200 2 2H MET 1 2H MET 1 -7.511 4.202 -6.706 3 3H MET 1 3H MET 1 -7.900 5.493 -7.714 4 HA MET 1 HA MET 1 -6.164 5.010 -9.160 5 1HB MET 1 2HB MET 1 -5.468 6.060 -7.003 6 2HB MET 1 1HB MET 1 -5.140 4.454 -6.334 7 1HG MET 1 2HG MET 1 -3.406 4.095 -8.062 8 2HG MET 1 1HG MET 1 -3.680 5.719 -8.691 9 1HE MET 1 1HE MET 1 -3.954 7.429 -5.901 10 2HE MET 1 2HE MET 1 -2.251 7.895 -5.748 11 3HE MET 1 3HE MET 1 -3.026 7.899 -7.350 12 H GLU 2 HN GLU 2 -4.835 3.487 -10.213 13 HA GLU 2 HA GLU 2 -5.549 0.660 -9.777 14 1HB GLU 2 1HB GLU 2 -4.304 0.298 -11.867 15 2HB GLU 2 2HB GLU 2 -5.634 1.443 -12.045 16 1HG GLU 2 2HG GLU 2 -4.059 3.347 -12.041 17 2HG GLU 2 1HG GLU 2 -2.703 2.262 -11.696 18 H ALA 3 H ALA 3 -3.684 -0.969 -9.810 19 HA ALA 3 HA ALA 3 -1.941 -0.425 -7.629 20 1HB ALA 3 1HB ALA 3 -2.868 -2.622 -8.128 21 2HB ALA 3 2HB ALA 3 -1.102 -2.700 -8.140 22 3HB ALA 3 3HB ALA 3 -1.996 -2.691 -9.673 23 H GLY 4 H GLY 4 -0.912 1.594 -8.571 24 1HA GLY 4 2HA GLY 4 1.124 1.262 -10.599 25 2HA GLY 4 1HA GLY 4 0.956 2.615 -9.468 26 H ALA 5 H ALA 5 3.448 1.431 -10.232 27 HA ALA 5 HA ALA 5 4.400 0.101 -7.734 28 1HB ALA 5 1HB ALA 5 5.066 -1.016 -9.802 29 2HB ALA 5 2HB ALA 5 6.464 -0.277 -8.990 30 3HB ALA 5 3HB ALA 5 5.759 0.504 -10.423 31 H VAL 6 H VAL 6 5.207 1.526 -6.266 32 HA VAL 6 HA VAL 6 6.022 4.258 -7.191 33 HB VAL 6 HB VAL 6 5.630 4.894 -4.744 34 1HG1 VAL 6 1HG1 VAL 6 3.924 3.675 -3.511 35 2HG1 VAL 6 2HG1 VAL 6 5.322 2.640 -3.810 36 3HG1 VAL 6 3HG1 VAL 6 3.840 2.428 -4.769 37 1HG2 VAL 6 1HG2 VAL 6 4.257 5.740 -6.534 38 2HG2 VAL 6 2HG2 VAL 6 3.247 5.342 -5.135 39 3HG2 VAL 6 3HG2 VAL 6 3.283 4.254 -6.545 40 H ASN 7 H ASN 7 7.639 5.247 -6.012 41 HA ASN 7 HA ASN 7 9.606 3.732 -4.542 42 1HB ASN 7 1HB ASN 7 10.332 3.205 -6.818 43 2HB ASN 7 2HB ASN 7 10.032 4.857 -7.367 44 1HD2 ASN 7 2HD2 ASN 7 12.108 3.074 -5.011 45 2HD2 ASN 7 1HD2 ASN 7 13.574 3.930 -5.436 46 H ASP 8 HN ASP 8 11.482 5.388 -4.190 47 HA ASP 8 HA ASP 8 10.782 7.269 -2.404 48 1HB ASP 8 2HB ASP 8 13.094 6.548 -2.993 49 2HB ASP 8 1HB ASP 8 13.065 7.566 -4.421 50 H ASP 9 HN ASP 9 11.520 8.204 -5.734 51 HA ASP 9 HA ASP 9 10.766 10.917 -5.574 52 1HB ASP 9 2HB ASP 9 12.005 10.044 -7.465 53 2HB ASP 9 1HB ASP 9 10.689 8.980 -7.941 54 H THR 10 H THR 10 8.847 8.402 -7.174 55 HA THR 10 HA THR 10 6.509 9.870 -7.575 56 HB THR 10 HB THR 10 5.424 7.615 -7.809 57 HG1 THR 10 HG1 THR 10 7.797 6.930 -6.482 58 1HG2 THR 10 1HG2 THR 10 6.845 6.781 -9.613 59 2HG2 THR 10 2HG2 THR 10 8.223 7.739 -9.051 60 3HG2 THR 10 3HG2 THR 10 6.779 8.554 -9.685 61 H PHE 11 H PHE 11 7.317 7.810 -4.804 62 HA PHE 11 HA PHE 11 5.037 7.571 -3.358 63 1HB PHE 11 2HB PHE 11 7.308 6.696 -2.852 64 2HB PHE 11 1HB PHE 11 7.809 8.275 -2.308 65 HD1 PHE 11 HD1 PHE 11 5.649 5.346 -1.548 66 HD2 PHE 11 HD2 PHE 11 7.267 9.079 -0.115 67 HE1 PHE 11 HE1 PHE 11 4.958 4.768 0.769 68 HE2 PHE 11 HE2 PHE 11 6.683 8.440 2.197 69 HZ PHE 11 HZ PHE 11 5.478 6.311 2.643 70 H LYS 12 HN LYS 12 7.250 10.270 -3.264 71 HA LYS 12 HA LYS 12 6.095 11.934 -1.303 72 1HB LYS 12 2HB LYS 12 7.447 12.709 -3.919 73 2HB LYS 12 1HB LYS 12 7.117 13.830 -2.601 74 1HG LYS 12 2HG LYS 12 8.572 12.669 -1.089 75 2HG LYS 12 1HG LYS 12 8.732 11.277 -2.165 76 1HD LYS 12 1HD LYS 12 9.860 12.669 -3.860 77 2HD LYS 12 2HD LYS 12 9.809 14.062 -2.754 78 1HE LYS 12 1HE LYS 12 11.168 12.812 -1.101 79 2HE LYS 12 2HE LYS 12 11.116 11.364 -2.122 80 1HZ LYS 12 1HZ LYS 12 12.394 13.898 -2.853 81 2HZ LYS 12 2HZ LYS 12 12.314 12.542 -3.793 82 3HZ LYS 12 3HZ LYS 12 13.154 12.509 -2.382 83 H ASN 13 H ASN 13 5.296 11.738 -4.789 84 HA ASN 13 HA ASN 13 3.193 13.769 -4.572 85 1HB ASN 13 1HB ASN 13 3.992 11.933 -6.866 86 2HB ASN 13 2HB ASN 13 2.915 13.317 -6.948 87 1HD2 ASN 13 2HD2 ASN 13 4.663 15.110 -5.182 88 2HD2 ASN 13 1HD2 ASN 13 6.012 15.459 -6.242 89 H VAL 14 H VAL 14 3.328 10.351 -5.505 90 HA VAL 14 HA VAL 14 0.503 9.986 -5.775 91 HB VAL 14 HB VAL 14 2.865 8.054 -5.509 92 1HG1 VAL 14 1HG1 VAL 14 2.731 7.937 -7.988 93 2HG1 VAL 14 2HG1 VAL 14 1.443 9.156 -7.974 94 3HG1 VAL 14 3HG1 VAL 14 3.086 9.581 -7.458 95 1HG2 VAL 14 1HG2 VAL 14 0.823 6.759 -5.126 96 2HG2 VAL 14 2HG2 VAL 14 0.072 7.482 -6.572 97 3HG2 VAL 14 3HG2 VAL 14 1.472 6.411 -6.730 98 H VAL 15 H VAL 15 2.644 9.558 -2.978 99 HA VAL 15 HA VAL 15 0.399 8.235 -1.509 100 HB VAL 15 HB VAL 15 3.374 8.154 -0.876 101 1HG1 VAL 15 1HG1 VAL 15 1.812 7.813 0.988 102 2HG1 VAL 15 2HG1 VAL 15 2.746 6.378 0.605 103 3HG1 VAL 15 3HG1 VAL 15 1.041 6.488 0.090 104 1HG2 VAL 15 1HG2 VAL 15 2.954 7.052 -3.077 105 2HG2 VAL 15 2HG2 VAL 15 3.328 5.880 -1.815 106 3HG2 VAL 15 3HG2 VAL 15 1.648 6.116 -2.343 107 H LEU 16 H LEU 16 3.159 10.552 -0.889 108 HA LEU 16 HA LEU 16 1.891 11.292 1.632 109 1HB LEU 16 1HB LEU 16 4.123 12.767 0.187 110 2HB LEU 16 2HB LEU 16 3.629 12.922 1.869 111 HG LEU 16 HG LEU 16 4.891 10.472 0.557 112 1HD1 LEU 16 1HD1 LEU 16 5.857 12.327 2.775 113 2HD1 LEU 16 2HD1 LEU 16 6.742 10.946 2.097 114 3HD1 LEU 16 3HD1 LEU 16 6.415 12.366 1.089 115 1HD2 LEU 16 1HD2 LEU 16 3.321 9.595 2.173 116 2HD2 LEU 16 2HD2 LEU 16 3.753 10.850 3.356 117 3HD2 LEU 16 3HD2 LEU 16 4.902 9.577 2.952 118 H GLU 17 HN GLU 17 2.419 13.232 -1.392 119 HA GLU 17 HA GLU 17 0.419 15.189 -0.508 120 1HB GLU 17 1HB GLU 17 1.824 14.822 -3.169 121 2HB GLU 17 2HB GLU 17 0.932 16.256 -2.665 122 1HG GLU 17 2HG GLU 17 2.546 16.769 -0.933 123 2HG GLU 17 1HG GLU 17 3.427 15.262 -1.199 124 H SER 18 H SER 18 -0.841 12.680 -0.531 125 HA SER 18 HA SER 18 -2.254 12.414 -3.133 126 1HB SER 18 2HB SER 18 -3.094 10.325 -2.220 127 2HB SER 18 1HB SER 18 -1.341 10.387 -2.100 128 HG SER 18 HG SER 18 -1.434 10.524 0.022 129 H SER 19 H SER 19 -4.525 12.627 -3.286 130 HA SER 19 HA SER 19 -5.823 14.408 -1.342 131 1HB SER 19 1HB SER 19 -7.607 14.202 -3.208 132 2HB SER 19 2HB SER 19 -6.071 14.982 -3.644 133 HG SER 19 HG SER 19 -6.650 13.376 -5.187 134 H VAL 20 H VAL 20 -6.618 11.500 -3.136 135 HA VAL 20 HA VAL 20 -8.526 10.488 -1.172 136 HB VAL 20 HB VAL 20 -8.751 8.615 -2.740 137 1HG1 VAL 20 1HG2 VAL 20 -6.350 9.826 -4.199 138 2HG1 VAL 20 2HG2 VAL 20 -7.449 8.664 -4.927 139 3HG1 VAL 20 3HG2 VAL 20 -6.506 8.197 -3.510 140 1HG2 VAL 20 1HG1 VAL 20 -9.944 10.748 -3.186 141 2HG2 VAL 20 2HG1 VAL 20 -9.594 9.838 -4.665 142 3HG2 VAL 20 3HG1 VAL 20 -8.619 11.259 -4.254 143 HA PRO 21 HA PRO 21 -5.489 8.214 1.087 144 1HB PRO 21 1HB PRO 21 -6.832 6.084 2.171 145 2HB PRO 21 2HB PRO 21 -7.100 7.769 2.695 146 1HG PRO 21 1HG PRO 21 -8.718 6.127 0.753 147 2HG PRO 21 2HG PRO 21 -9.283 7.178 2.073 148 1HD PRO 21 1HD PRO 21 -9.191 7.941 -0.613 149 2HD PRO 21 2HD PRO 21 -9.027 9.115 0.732 150 H VAL 22 H VAL 22 -4.343 6.152 1.172 151 HA VAL 22 HA VAL 22 -4.717 4.409 -1.074 152 HB VAL 22 HB VAL 22 -3.224 6.840 -1.394 153 1HG1 VAL 22 1HG1 VAL 22 -1.219 5.830 -0.580 154 2HG1 VAL 22 2HG1 VAL 22 -1.419 4.441 -1.661 155 3HG1 VAL 22 3HG1 VAL 22 -1.116 6.059 -2.330 156 1HG2 VAL 22 1HG2 VAL 22 -3.157 6.070 -3.722 157 2HG2 VAL 22 2HG2 VAL 22 -3.631 4.434 -3.198 158 3HG2 VAL 22 3HG2 VAL 22 -4.745 5.809 -3.009 159 H LEU 23 H LEU 23 -3.938 2.396 -1.078 160 HA LEU 23 HA LEU 23 -2.562 1.615 1.385 161 1HB LEU 23 2HB LEU 23 -4.596 0.577 0.515 162 2HB LEU 23 1HB LEU 23 -3.722 0.008 -0.914 163 HG LEU 23 HG LEU 23 -2.923 -0.756 1.879 164 1HD1 LEU 23 1HD2 LEU 23 -2.113 -2.840 0.469 165 2HD1 LEU 23 2HD2 LEU 23 -1.207 -1.349 0.208 166 3HD1 LEU 23 3HD2 LEU 23 -2.438 -1.867 -0.961 167 1HD2 LEU 23 1HD1 LEU 23 -4.897 -2.145 0.015 168 2HD2 LEU 23 2HD1 LEU 23 -4.240 -2.846 1.507 169 3HD2 LEU 23 3HD1 LEU 23 -5.260 -1.404 1.591 170 H VAL 24 H VAL 24 -0.364 1.760 1.284 171 HA VAL 24 HA VAL 24 1.028 1.169 -1.295 172 HB VAL 24 HB VAL 24 2.061 2.368 1.305 173 1HG1 VAL 24 1HG1 VAL 24 3.412 1.832 -1.382 174 2HG1 VAL 24 2HG1 VAL 24 3.805 1.025 0.150 175 3HG1 VAL 24 3HG1 VAL 24 4.129 2.747 -0.040 176 1HG2 VAL 24 1HG2 VAL 24 1.550 3.563 -1.460 177 2HG2 VAL 24 2HG2 VAL 24 2.366 4.366 -0.112 178 3HG2 VAL 24 3HG2 VAL 24 0.649 3.944 0.027 179 H ASP 25 HN ASP 25 1.316 -1.012 -1.518 180 HA ASP 25 HA ASP 25 1.775 -2.677 0.910 181 1HB ASP 25 1HB ASP 25 0.333 -3.659 -0.777 182 2HB ASP 25 2HB ASP 25 1.556 -3.372 -2.028 183 H PHE 26 H PHE 26 3.852 -2.649 1.679 184 HA PHE 26 HA PHE 26 6.105 -1.848 -0.049 185 1HB PHE 26 1HB PHE 26 5.916 -2.719 2.851 186 2HB PHE 26 2HB PHE 26 7.420 -2.391 2.022 187 HD1 PHE 26 HD1 PHE 26 4.067 -0.644 2.514 188 HD2 PHE 26 HD2 PHE 26 8.366 -0.280 2.330 189 HE1 PHE 26 HE1 PHE 26 3.902 1.709 3.157 190 HE2 PHE 26 HE2 PHE 26 8.183 2.039 3.176 191 HZ PHE 26 HZ PHE 26 5.930 3.001 3.709 192 H TRP 27 H TRP 27 6.801 -3.400 -1.461 193 HA TRP 27 HA TRP 27 6.679 -6.269 -0.626 194 1HB TRP 27 2HB TRP 27 5.729 -6.885 -2.701 195 2HB TRP 27 1HB TRP 27 4.759 -5.550 -2.133 196 HD1 TRP 27 HD1 TRP 27 5.623 -3.070 -3.280 197 HE1 TRP 27 HE1 TRP 27 6.601 -2.549 -5.616 198 HE3 TRP 27 HE3 TRP 27 6.678 -7.844 -4.791 199 HZ2 TRP 27 HZ2 TRP 27 7.897 -4.023 -7.729 200 HZ3 TRP 27 HZ3 TRP 27 7.627 -8.240 -7.043 201 HH2 TRP 27 HH2 TRP 27 8.241 -6.348 -8.510 202 H ALA 28 H ALA 28 7.730 -7.508 -2.676 203 HA ALA 28 HA ALA 28 9.798 -6.184 -4.083 204 1HB ALA 28 1HB ALA 28 11.042 -6.253 -1.920 205 2HB ALA 28 2HB ALA 28 10.753 -8.008 -1.826 206 3HB ALA 28 3HB ALA 28 11.767 -7.335 -3.116 207 HA PRO 29 HA PRO 29 8.894 -9.891 -6.424 208 1HB PRO 29 1HB PRO 29 11.342 -10.484 -7.612 209 2HB PRO 29 2HB PRO 29 10.149 -9.268 -8.176 210 1HG PRO 29 2HG PRO 29 12.590 -8.794 -6.443 211 2HG PRO 29 1HG PRO 29 12.081 -7.871 -7.889 212 1HD PRO 29 2HD PRO 29 11.469 -6.891 -5.466 213 2HD PRO 29 1HD PRO 29 10.215 -6.939 -6.697 214 H TRP 30 H TRP 30 11.893 -10.061 -4.441 215 HA TRP 30 HA TRP 30 11.777 -12.939 -4.196 216 1HB TRP 30 2HB TRP 30 13.392 -12.558 -2.346 217 2HB TRP 30 1HB TRP 30 13.854 -11.862 -3.891 218 HD1 TRP 30 HD1 TRP 30 14.488 -9.405 -3.944 219 HE1 TRP 30 HE1 TRP 30 14.572 -7.469 -2.274 220 HE3 TRP 30 HE3 TRP 30 12.028 -11.616 -0.023 221 HZ2 TRP 30 HZ2 TRP 30 13.591 -6.906 0.380 222 HZ3 TRP 30 HZ3 TRP 30 11.584 -10.335 2.042 223 HH2 TRP 30 HH2 TRP 30 12.263 -7.959 2.219 224 H CYS 31 H CYS 31 9.746 -10.495 -2.833 225 HA CYS 31 HA CYS 31 9.429 -11.752 -0.210 226 1HB CYS 31 1HB CYS 31 9.120 -9.294 -0.577 227 2HB CYS 31 2HB CYS 31 7.743 -9.653 -1.588 228 H GLY 32 H GLY 32 8.894 -13.940 -1.008 229 1HA GLY 32 2HA GLY 32 6.832 -14.896 -2.448 230 2HA GLY 32 1HA GLY 32 7.153 -15.565 -0.848 231 HA PRO 33 HA PRO 33 3.333 -14.340 0.767 232 1HB PRO 33 2HB PRO 33 3.686 -12.564 2.892 233 2HB PRO 33 1HB PRO 33 3.893 -14.334 2.952 234 1HG PRO 33 2HG PRO 33 6.028 -12.233 2.612 235 2HG PRO 33 1HG PRO 33 6.033 -13.686 3.641 236 1HD PRO 33 1HD PRO 33 7.284 -13.570 1.230 237 2HD PRO 33 2HD PRO 33 6.478 -15.080 1.740 238 H CYS 34 H CYS 34 5.303 -11.603 -0.340 239 HA CYS 34 HA CYS 34 3.014 -9.759 -0.390 240 1HB CYS 34 1HB CYS 34 5.538 -9.472 -1.979 241 2HB CYS 34 2HB CYS 34 4.338 -8.311 -1.507 242 H ARG 35 HN ARG 35 5.152 -11.479 -2.648 243 HA ARG 35 HA ARG 35 4.080 -11.014 -5.108 244 1HB ARG 35 2HB ARG 35 6.159 -12.342 -4.376 245 2HB ARG 35 1HB ARG 35 5.106 -13.737 -4.192 246 1HG ARG 35 2HG ARG 35 4.400 -13.320 -6.662 247 2HG ARG 35 1HG ARG 35 5.788 -12.218 -6.731 248 1HD ARG 35 1HD ARG 35 5.767 -15.181 -6.068 249 2HD ARG 35 2HD ARG 35 6.467 -14.435 -7.510 250 HE ARG 35 HE ARG 35 8.016 -13.198 -5.858 251 1HH1 ARG 35 2HH2 ARG 35 6.973 -16.566 -5.330 252 2HH1 ARG 35 1HH2 ARG 35 8.283 -16.897 -4.233 253 1HH2 ARG 35 1HH1 ARG 35 9.633 -13.636 -4.531 254 2HH2 ARG 35 2HH1 ARG 35 9.841 -15.173 -3.713 255 H ILE 36 H ILE 36 3.207 -13.761 -2.967 256 HA ILE 36 HA ILE 36 1.170 -14.687 -4.806 257 HB ILE 36 HB ILE 36 0.557 -16.287 -3.063 258 1HG1 ILE 36 2HG1 ILE 36 2.372 -16.243 -1.063 259 2HG1 ILE 36 1HG1 ILE 36 2.188 -14.506 -1.258 260 1HG2 ILE 36 1HG2 ILE 36 2.673 -17.468 -3.046 261 2HG2 ILE 36 2HG2 ILE 36 2.476 -16.644 -4.597 262 3HG2 ILE 36 3HG2 ILE 36 3.575 -15.978 -3.373 263 1HD1 ILE 36 1HD1 ILE 36 0.594 -15.303 0.397 264 2HD1 ILE 36 2HD1 ILE 36 0.037 -16.598 -0.682 265 3HD1 ILE 36 3HD1 ILE 36 -0.349 -14.913 -1.060 266 H ILE 37 H ILE 37 1.031 -12.144 -2.397 267 HA ILE 37 HA ILE 37 -1.948 -12.175 -2.422 268 HB ILE 37 HB ILE 37 0.087 -10.560 -0.835 269 1HG1 ILE 37 2HG1 ILE 37 -0.081 -12.871 -0.060 270 2HG1 ILE 37 1HG1 ILE 37 -0.820 -11.762 1.080 271 1HG2 ILE 37 1HG2 ILE 37 -1.941 -9.817 0.484 272 2HG2 ILE 37 2HG2 ILE 37 -2.954 -10.455 -0.826 273 3HG2 ILE 37 3HG2 ILE 37 -1.819 -9.127 -1.129 274 1HD1 ILE 37 1HD1 ILE 37 -2.331 -13.603 -0.819 275 2HD1 ILE 37 2HD1 ILE 37 -3.088 -12.417 0.266 276 3HD1 ILE 37 3HD1 ILE 37 -2.159 -13.763 0.928 277 H ALA 38 H ALA 38 0.814 -10.405 -3.764 278 HA ALA 38 HA ALA 38 -0.103 -8.094 -4.636 279 1HB ALA 38 1HB ALA 38 1.312 -10.050 -6.495 280 2HB ALA 38 2HB ALA 38 1.297 -8.287 -6.597 281 3HB ALA 38 3HB ALA 38 2.087 -9.081 -5.223 282 HA PRO 39 HA PRO 39 -2.657 -9.775 -8.399 283 1HB PRO 39 1HB PRO 39 -3.774 -12.318 -7.248 284 2HB PRO 39 2HB PRO 39 -3.308 -11.962 -8.935 285 1HG PRO 39 1HG PRO 39 -1.703 -13.512 -7.384 286 2HG PRO 39 2HG PRO 39 -0.969 -12.231 -8.402 287 1HD PRO 39 1HD PRO 39 -1.775 -12.048 -5.490 288 2HD PRO 39 2HD PRO 39 -0.189 -11.681 -6.180 289 H VAL 40 H VAL 40 -3.457 -10.552 -5.041 290 HA VAL 40 HA VAL 40 -6.269 -9.765 -5.244 291 HB VAL 40 HB VAL 40 -4.619 -11.077 -3.277 292 1HG1 VAL 40 1HG2 VAL 40 -6.054 -8.659 -2.097 293 2HG1 VAL 40 2HG2 VAL 40 -4.299 -8.936 -2.086 294 3HG1 VAL 40 3HG2 VAL 40 -5.369 -10.020 -1.198 295 1HG2 VAL 40 1HG1 VAL 40 -6.826 -11.571 -2.282 296 2HG2 VAL 40 2HG1 VAL 40 -6.843 -11.773 -4.048 297 3HG2 VAL 40 3HG1 VAL 40 -7.551 -10.317 -3.314 298 H VAL 41 H VAL 41 -3.202 -8.244 -4.239 299 HA VAL 41 HA VAL 41 -4.408 -5.793 -3.415 300 HB VAL 41 HB VAL 41 -1.622 -6.086 -4.654 301 1HG1 VAL 41 1HG1 VAL 41 -2.499 -6.574 -1.779 302 2HG1 VAL 41 2HG1 VAL 41 -0.814 -6.375 -2.313 303 3HG1 VAL 41 3HG1 VAL 41 -1.754 -7.736 -2.895 304 1HG2 VAL 41 1HG2 VAL 41 -2.843 -4.112 -2.658 305 2HG2 VAL 41 2HG2 VAL 41 -2.322 -3.767 -4.318 306 3HG2 VAL 41 3HG2 VAL 41 -1.126 -4.175 -3.088 307 H ASP 42 HN ASP 42 -3.246 -6.967 -6.569 308 HA ASP 42 HA ASP 42 -3.791 -4.604 -8.070 309 1HB ASP 42 1HB ASP 42 -3.786 -7.494 -9.032 310 2HB ASP 42 2HB ASP 42 -3.706 -6.027 -10.019 311 H GLU 43 HN GLU 43 -5.779 -7.579 -7.581 312 HA GLU 43 HA GLU 43 -7.943 -6.663 -9.147 313 1HB GLU 43 1HB GLU 43 -9.032 -8.513 -8.549 314 2HB GLU 43 2HB GLU 43 -7.428 -9.020 -8.043 315 1HG GLU 43 2HG GLU 43 -8.158 -8.218 -5.655 316 2HG GLU 43 1HG GLU 43 -9.773 -8.051 -6.339 317 H ILE 44 H ILE 44 -7.246 -6.157 -5.665 318 HA ILE 44 HA ILE 44 -9.608 -4.728 -4.982 319 HB ILE 44 HB ILE 44 -6.735 -4.732 -4.030 320 1HG1 ILE 44 1HG1 ILE 44 -9.337 -5.168 -2.504 321 2HG1 ILE 44 2HG1 ILE 44 -8.574 -6.441 -3.447 322 1HG2 ILE 44 1HG2 ILE 44 -7.251 -3.129 -2.256 323 2HG2 ILE 44 2HG2 ILE 44 -7.379 -2.350 -3.823 324 3HG2 ILE 44 3HG2 ILE 44 -8.857 -2.852 -2.962 325 1HD1 ILE 44 1HD1 ILE 44 -7.868 -6.657 -1.129 326 2HD1 ILE 44 2HD1 ILE 44 -6.472 -6.156 -2.094 327 3HD1 ILE 44 3HD1 ILE 44 -7.327 -4.982 -1.069 328 H ALA 45 H ALA 45 -6.566 -3.607 -6.503 329 HA ALA 45 HA ALA 45 -7.336 -0.895 -6.848 330 1HB ALA 45 1HB ALA 45 -5.103 -2.370 -7.431 331 2HB ALA 45 2HB ALA 45 -5.421 -0.737 -8.033 332 3HB ALA 45 3HB ALA 45 -5.755 -2.148 -9.056 333 H GLY 46 H GLY 46 -7.664 -3.698 -9.069 334 1HA GLY 46 1HA GLY 46 -8.990 -2.578 -11.225 335 2HA GLY 46 2HA GLY 46 -9.242 -4.233 -10.640 336 H GLU 47 HN GLU 47 -10.445 -3.740 -8.148 337 HA GLU 47 HA GLU 47 -13.162 -3.164 -8.861 338 1HB GLU 47 2HB GLU 47 -11.776 -3.433 -6.160 339 2HB GLU 47 1HB GLU 47 -13.525 -3.322 -6.380 340 1HG GLU 47 1HG GLU 47 -13.557 -5.378 -7.676 341 2HG GLU 47 2HG GLU 47 -11.810 -5.514 -7.641 342 H TYR 48 H TYR 48 -11.085 -1.435 -6.513 343 HA TYR 48 HA TYR 48 -12.909 0.911 -6.713 344 1HB TYR 48 1HB TYR 48 -10.491 0.688 -4.932 345 2HB TYR 48 2HB TYR 48 -11.974 1.666 -4.784 346 HD1 TYR 48 HD1 TYR 48 -14.111 0.642 -4.056 347 HD2 TYR 48 HD2 TYR 48 -10.378 -1.496 -3.944 348 HE1 TYR 48 HE1 TYR 48 -14.864 -0.577 -2.036 349 HE2 TYR 48 HE2 TYR 48 -11.194 -2.818 -2.008 350 HH TYR 48 HH TYR 48 -14.196 -1.941 -0.314 351 H LYS 49 HN LYS 49 -11.774 0.598 -9.009 352 HA LYS 49 HA LYS 49 -9.180 1.335 -9.606 353 1HB LYS 49 2HB LYS 49 -10.014 1.453 -11.911 354 2HB LYS 49 1HB LYS 49 -10.754 0.162 -10.948 355 1HG LYS 49 1HG LYS 49 -12.742 1.829 -10.608 356 2HG LYS 49 2HG LYS 49 -12.092 2.584 -12.078 357 1HD LYS 49 1HD LYS 49 -13.067 -0.284 -11.646 358 2HD LYS 49 2HD LYS 49 -13.863 0.991 -12.564 359 1HE LYS 49 2HE LYS 49 -12.940 -0.414 -14.188 360 2HE LYS 49 1HE LYS 49 -11.827 0.963 -14.150 361 1HZ LYS 49 1HZ LYS 49 -10.319 -0.355 -12.908 362 2HZ LYS 49 2HZ LYS 49 -10.807 -1.274 -14.182 363 3HZ LYS 49 3HZ LYS 49 -11.416 -1.554 -12.669 364 H ASP 50 HN ASP 50 -11.937 3.460 -9.822 365 HA ASP 50 HA ASP 50 -10.359 5.729 -10.645 366 1HB ASP 50 2HB ASP 50 -12.721 5.626 -11.138 367 2HB ASP 50 1HB ASP 50 -13.159 5.571 -9.434 368 H LYS 51 HN LYS 51 -12.164 5.485 -7.636 369 HA LYS 51 HA LYS 51 -10.791 7.791 -6.620 370 1HB LYS 51 1HB LYS 51 -12.205 6.459 -4.455 371 2HB LYS 51 2HB LYS 51 -12.545 7.962 -5.231 372 1HG LYS 51 1HG LYS 51 -13.840 6.740 -7.010 373 2HG LYS 51 2HG LYS 51 -13.467 5.202 -6.169 374 1HD LYS 51 1HD LYS 51 -14.560 6.144 -4.103 375 2HD LYS 51 2HD LYS 51 -15.104 7.520 -5.077 376 1HE LYS 51 2HE LYS 51 -15.755 4.566 -5.579 377 2HE LYS 51 1HE LYS 51 -16.851 5.764 -4.877 378 1HZ LYS 51 1HZ LYS 51 -15.735 5.853 -7.593 379 2HZ LYS 51 2HZ LYS 51 -16.732 6.987 -6.933 380 3HZ LYS 51 3HZ LYS 51 -17.280 5.454 -7.187 381 H LEU 52 H LEU 52 -10.425 4.350 -5.744 382 HA LEU 52 HA LEU 52 -9.298 5.357 -3.167 383 1HB LEU 52 1HB LEU 52 -11.467 4.122 -3.383 384 2HB LEU 52 2HB LEU 52 -10.476 2.699 -3.834 385 HG LEU 52 HG LEU 52 -9.773 2.465 -1.653 386 1HD1 LEU 52 1HD1 LEU 52 -10.875 5.261 -1.115 387 2HD1 LEU 52 2HD1 LEU 52 -9.182 4.793 -0.994 388 3HD1 LEU 52 3HD1 LEU 52 -10.336 4.150 0.171 389 1HD2 LEU 52 1HD2 LEU 52 -12.039 1.765 -2.062 390 2HD2 LEU 52 2HD2 LEU 52 -12.650 3.338 -1.513 391 3HD2 LEU 52 3HD2 LEU 52 -11.808 2.254 -0.380 392 H LYS 53 HN LYS 53 -8.101 3.701 -2.052 393 HA LYS 53 HA LYS 53 -5.717 3.871 -2.626 394 1HB LYS 53 1HB LYS 53 -5.710 2.480 -0.261 395 2HB LYS 53 2HB LYS 53 -6.907 3.733 -0.390 396 1HG LYS 53 1HG LYS 53 -8.481 2.222 -0.007 397 2HG LYS 53 2HG LYS 53 -8.025 1.333 -1.503 398 1HD LYS 53 2HD LYS 53 -6.506 -0.066 -0.233 399 2HD LYS 53 1HD LYS 53 -6.899 0.836 1.238 400 1HE LYS 53 1HE LYS 53 -8.141 -1.310 1.066 401 2HE LYS 53 2HE LYS 53 -9.300 0.026 0.952 402 1HZ LYS 53 1HZ LYS 53 -9.343 -0.261 -1.384 403 2HZ LYS 53 2HZ LYS 53 -8.183 -1.429 -1.321 404 3HZ LYS 53 3HZ LYS 53 -9.664 -1.696 -0.649 405 H CYS 54 H CYS 54 -4.599 2.770 -4.417 406 HA CYS 54 HA CYS 54 -3.479 0.264 -3.308 407 1HB CYS 54 1HB CYS 54 -5.414 -0.565 -4.592 408 2HB CYS 54 2HB CYS 54 -4.824 0.302 -6.036 409 HG CYS 54 HG CYS 54 -4.329 -2.490 -5.453 410 H VAL 55 H VAL 55 -1.369 0.441 -3.386 411 HA VAL 55 HA VAL 55 -0.045 0.823 -5.931 412 HB VAL 55 HB VAL 55 1.519 2.498 -4.292 413 1HG1 VAL 55 1HG1 VAL 55 0.197 4.332 -3.589 414 2HG1 VAL 55 2HG1 VAL 55 -0.391 2.863 -2.790 415 3HG1 VAL 55 3HG1 VAL 55 -1.307 3.581 -4.144 416 1HG2 VAL 55 1HG2 VAL 55 -0.341 3.121 -6.600 417 2HG2 VAL 55 2HG2 VAL 55 0.856 4.254 -5.928 418 3HG2 VAL 55 3HG2 VAL 55 1.391 2.737 -6.644 419 H LYS 56 HN LYS 56 2.281 0.340 -5.725 420 HA LYS 56 HA LYS 56 2.867 -1.498 -3.435 421 1HB LYS 56 1HB LYS 56 2.489 -1.927 -6.281 422 2HB LYS 56 2HB LYS 56 4.140 -2.302 -5.851 423 1HG LYS 56 2HG LYS 56 3.096 -4.363 -5.568 424 2HG LYS 56 1HG LYS 56 3.177 -3.739 -3.926 425 1HD LYS 56 2HD LYS 56 0.997 -4.608 -4.121 426 2HD LYS 56 1HD LYS 56 0.787 -2.859 -4.270 427 1HE LYS 56 1HE LYS 56 -0.604 -3.886 -5.933 428 2HE LYS 56 2HE LYS 56 0.751 -3.179 -6.812 429 1HZ LYS 56 1HZ LYS 56 0.182 -5.386 -7.517 430 2HZ LYS 56 2HZ LYS 56 1.725 -5.349 -6.927 431 3HZ LYS 56 3HZ LYS 56 0.504 -5.998 -6.024 432 H LEU 57 H LEU 57 4.657 -0.811 -2.310 433 HA LEU 57 HA LEU 57 6.665 0.925 -3.685 434 1HB LEU 57 1HB LEU 57 5.764 1.846 -1.704 435 2HB LEU 57 2HB LEU 57 6.173 0.400 -0.742 436 HG LEU 57 HG LEU 57 7.500 2.366 -0.296 437 1HD1 LEU 57 1HD1 LEU 57 8.655 2.089 -3.086 438 2HD1 LEU 57 2HD1 LEU 57 9.087 3.292 -1.847 439 3HD1 LEU 57 3HD1 LEU 57 7.483 3.331 -2.591 440 1HD2 LEU 57 1HD2 LEU 57 9.315 0.260 -1.488 441 2HD2 LEU 57 2HD2 LEU 57 9.608 1.331 -0.107 442 3HD2 LEU 57 3HD2 LEU 57 8.402 0.042 0.006 443 H ASN 58 H ASN 58 8.177 -0.134 -4.684 444 HA ASN 58 HA ASN 58 8.930 -2.872 -4.007 445 1HB ASN 58 2HB ASN 58 9.092 -2.144 -6.341 446 2HB ASN 58 1HB ASN 58 10.137 -0.856 -5.871 447 1HD2 ASN 58 2HD2 ASN 58 10.005 -4.025 -7.101 448 2HD2 ASN 58 1HD2 ASN 58 11.626 -4.541 -6.678 449 H THR 59 H THR 59 9.804 -3.213 -2.169 450 HA THR 59 HA THR 59 11.547 -1.351 -0.730 451 HB THR 59 HB THR 59 10.430 -4.095 -0.002 452 HG1 THR 59 HG1 THR 59 8.841 -2.418 -0.555 453 1HG2 THR 59 1HG2 THR 59 10.623 -3.189 2.342 454 2HG2 THR 59 2HG2 THR 59 12.191 -3.447 1.568 455 3HG2 THR 59 3HG2 THR 59 11.522 -1.811 1.682 456 H ASP 60 HN ASP 60 12.795 -1.946 -2.975 457 HA ASP 60 HA ASP 60 15.163 -3.435 -2.061 458 1HB ASP 60 1HB ASP 60 13.516 -5.005 -3.342 459 2HB ASP 60 2HB ASP 60 14.000 -4.124 -4.791 460 H GLU 61 HN GLU 61 13.530 -1.791 -4.764 461 HA GLU 61 HA GLU 61 15.831 -0.148 -5.480 462 1HB GLU 61 1HB GLU 61 14.406 0.846 -7.010 463 2HB GLU 61 2HB GLU 61 14.042 -0.931 -7.127 464 1HG GLU 61 2HG GLU 61 12.079 -0.264 -5.627 465 2HG GLU 61 1HG GLU 61 12.414 1.389 -6.120 466 H SER 62 H SER 62 13.000 0.117 -3.536 467 HA SER 62 HA SER 62 13.674 2.852 -2.670 468 1HB SER 62 1HB SER 62 10.944 1.671 -2.049 469 2HB SER 62 2HB SER 62 11.419 3.315 -2.497 470 HG SER 62 HG SER 62 11.077 0.979 -4.062 471 HA PRO 63 HA PRO 63 14.350 0.292 1.188 472 1HB PRO 63 1HB PRO 63 17.016 0.808 1.472 473 2HB PRO 63 2HB PRO 63 16.403 -0.570 0.502 474 1HG PRO 63 1HG PRO 63 17.327 2.148 -0.465 475 2HG PRO 63 2HG PRO 63 17.716 0.544 -1.152 476 1HD PRO 63 2HD PRO 63 15.715 2.126 -2.189 477 2HD PRO 63 1HD PRO 63 15.541 0.391 -2.157 478 H ASN 64 H ASN 64 15.217 3.359 -0.215 479 HA ASN 64 HA ASN 64 15.864 5.035 1.926 480 1HB ASN 64 2HB ASN 64 14.190 5.499 -0.586 481 2HB ASN 64 1HB ASN 64 14.474 6.768 0.605 482 1HD2 ASN 64 2HD2 ASN 64 15.413 7.862 -1.287 483 2HD2 ASN 64 1HD2 ASN 64 17.111 7.544 -1.671 484 H VAL 65 H VAL 65 12.623 4.855 0.559 485 HA VAL 65 HA VAL 65 11.173 6.086 2.597 486 HB VAL 65 HB VAL 65 10.389 3.905 0.598 487 1HG1 VAL 65 1HG2 VAL 65 8.708 4.084 2.398 488 2HG1 VAL 65 2HG2 VAL 65 8.100 4.703 0.862 489 3HG1 VAL 65 3HG2 VAL 65 8.620 5.838 2.136 490 1HG2 VAL 65 1HG1 VAL 65 10.229 6.950 0.469 491 2HG2 VAL 65 2HG1 VAL 65 9.542 5.834 -0.732 492 3HG2 VAL 65 3HG1 VAL 65 11.294 5.916 -0.503 493 H ALA 66 H ALA 66 11.806 2.676 1.992 494 HA ALA 66 HA ALA 66 10.401 1.556 4.139 495 1HB ALA 66 1HB ALA 66 11.502 0.335 2.242 496 2HB ALA 66 2HB ALA 66 13.059 0.513 3.084 497 3HB ALA 66 3HB ALA 66 11.758 -0.422 3.832 498 H SER 67 H SER 67 13.757 2.817 4.140 499 HA SER 67 HA SER 67 14.288 2.118 6.889 500 1HB SER 67 1HB SER 67 15.627 4.207 5.108 501 2HB SER 67 2HB SER 67 16.256 3.544 6.627 502 HG SER 67 HG SER 67 15.724 2.111 4.228 503 H GLU 68 HN GLU 68 13.250 5.088 5.224 504 HA GLU 68 HA GLU 68 13.240 6.856 7.444 505 1HB GLU 68 1HB GLU 68 11.460 6.747 4.971 506 2HB GLU 68 2HB GLU 68 11.465 8.088 6.118 507 1HG GLU 68 2HG GLU 68 13.729 8.669 5.625 508 2HG GLU 68 1HG GLU 68 14.017 7.182 4.722 509 H TYR 69 H TYR 69 10.638 4.701 6.228 510 HA TYR 69 HA TYR 69 8.850 5.420 8.440 511 1HB TYR 69 2HB TYR 69 8.752 3.525 6.080 512 2HB TYR 69 1HB TYR 69 7.627 3.347 7.410 513 HD1 TYR 69 HD1 TYR 69 5.947 5.094 7.929 514 HD2 TYR 69 HD2 TYR 69 8.731 5.620 4.685 515 HE1 TYR 69 HE1 TYR 69 4.881 7.251 7.357 516 HE2 TYR 69 HE2 TYR 69 7.724 7.804 4.172 517 HH TYR 69 HH TYR 69 5.114 9.224 6.134 518 H GLY 70 H GLY 70 11.129 2.778 7.761 519 1HA GLY 70 1HA GLY 70 12.256 1.579 9.438 520 2HA GLY 70 2HA GLY 70 11.039 2.044 10.634 521 H ILE 71 H ILE 71 10.966 0.479 7.425 522 HA ILE 71 HA ILE 71 8.842 -1.347 8.173 523 HB ILE 71 HB ILE 71 10.713 -1.227 5.776 524 1HG1 ILE 71 1HG1 ILE 71 9.269 0.804 6.099 525 2HG1 ILE 71 2HG1 ILE 71 8.959 -0.113 4.630 526 1HG2 ILE 71 1HG2 ILE 71 8.900 -2.571 4.642 527 2HG2 ILE 71 2HG2 ILE 71 9.811 -3.452 5.875 528 3HG2 ILE 71 3HG2 ILE 71 8.181 -2.847 6.246 529 1HD1 ILE 71 1HD1 ILE 71 6.904 0.730 5.718 530 2HD1 ILE 71 2HD1 ILE 71 7.238 -0.255 7.142 531 3HD1 ILE 71 3HD1 ILE 71 6.902 -1.029 5.570 532 H ARG 72 HN ARG 72 9.128 -2.998 9.506 533 HA ARG 72 HA ARG 72 11.739 -4.054 10.128 534 1HB ARG 72 1HB ARG 72 9.847 -3.753 11.721 535 2HB ARG 72 2HB ARG 72 8.966 -5.059 10.909 536 1HG ARG 72 1HG ARG 72 10.779 -6.653 11.492 537 2HG ARG 72 2HG ARG 72 11.696 -5.347 12.260 538 1HD ARG 72 2HD ARG 72 8.922 -6.306 13.093 539 2HD ARG 72 1HD ARG 72 10.449 -6.757 13.884 540 HE ARG 72 HE ARG 72 10.384 -3.957 13.846 541 1HH1 ARG 72 1HH1 ARG 72 8.543 -6.597 15.291 542 2HH1 ARG 72 2HH1 ARG 72 8.023 -5.676 16.676 543 1HH2 ARG 72 1HH2 ARG 72 9.715 -2.730 15.645 544 2HH2 ARG 72 2HH2 ARG 72 8.711 -3.433 16.882 545 H SER 73 H SER 73 9.064 -5.124 8.022 546 HA SER 73 HA SER 73 10.732 -6.935 6.619 547 1HB SER 73 1HB SER 73 10.183 -8.410 8.608 548 2HB SER 73 2HB SER 73 8.462 -8.229 8.211 549 HG SER 73 HG SER 73 10.538 -9.480 6.734 550 H ILE 74 H ILE 74 8.750 -8.382 5.343 551 HA ILE 74 HA ILE 74 6.679 -6.504 4.543 552 HB ILE 74 HB ILE 74 7.305 -6.782 2.085 553 1HG1 ILE 74 1HG1 ILE 74 10.083 -7.387 3.130 554 2HG1 ILE 74 2HG1 ILE 74 8.999 -8.562 2.371 555 1HG2 ILE 74 1HG2 ILE 74 8.636 -4.781 2.097 556 2HG2 ILE 74 2HG2 ILE 74 9.268 -5.124 3.717 557 3HG2 ILE 74 3HG2 ILE 74 7.564 -4.676 3.490 558 1HD1 ILE 74 1HD1 ILE 74 10.299 -7.772 0.557 559 2HD1 ILE 74 2HD1 ILE 74 8.807 -6.865 0.410 560 3HD1 ILE 74 3HD1 ILE 74 10.250 -6.101 1.120 561 HA PRO 75 HA PRO 75 5.098 -6.737 2.645 562 1HB PRO 75 2HB PRO 75 2.417 -7.286 2.871 563 2HB PRO 75 1HB PRO 75 3.467 -7.823 1.549 564 1HG PRO 75 1HG PRO 75 2.649 -9.292 4.053 565 2HG PRO 75 2HG PRO 75 2.641 -9.956 2.392 566 1HD PRO 75 2HD PRO 75 4.664 -10.471 4.192 567 2HD PRO 75 1HD PRO 75 5.015 -10.235 2.467 568 H THR 76 H THR 76 4.464 -4.964 3.466 569 HA THR 76 HA THR 76 3.215 -4.688 6.119 570 HB THR 76 HB THR 76 5.709 -3.172 5.228 571 HG1 THR 76 HG1 THR 76 6.421 -4.852 6.378 572 1HG2 THR 76 1HG2 THR 76 3.782 -2.690 7.547 573 2HG2 THR 76 2HG2 THR 76 5.382 -1.944 7.399 574 3HG2 THR 76 3HG2 THR 76 4.125 -1.573 6.205 575 H ILE 77 H ILE 77 1.403 -3.633 5.652 576 HA ILE 77 HA ILE 77 1.096 -2.250 3.019 577 HB ILE 77 HB ILE 77 -0.672 -4.026 4.723 578 1HG1 ILE 77 1HG1 ILE 77 -0.051 -4.235 1.754 579 2HG1 ILE 77 2HG1 ILE 77 1.052 -4.908 2.957 580 1HG2 ILE 77 1HG2 ILE 77 -2.389 -3.549 2.830 581 2HG2 ILE 77 2HG2 ILE 77 -1.352 -2.137 2.495 582 3HG2 ILE 77 3HG2 ILE 77 -2.188 -2.292 4.049 583 1HD1 ILE 77 1HD1 ILE 77 -0.716 -6.317 3.886 584 2HD1 ILE 77 2HD1 ILE 77 -0.433 -6.641 2.166 585 3HD1 ILE 77 3HD1 ILE 77 -1.862 -5.719 2.663 586 H MET 78 H MET 78 1.333 -0.078 3.493 587 HA MET 78 HA MET 78 0.163 0.959 6.054 588 1HB MET 78 1HB MET 78 1.998 2.235 4.030 589 2HB MET 78 2HB MET 78 1.342 3.043 5.463 590 1HG MET 78 1HG MET 78 2.372 1.266 6.882 591 2HG MET 78 2HG MET 78 3.206 0.654 5.460 592 1HE MET 78 1HE MET 78 5.080 0.901 7.534 593 2HE MET 78 2HE MET 78 4.013 1.901 8.547 594 3HE MET 78 3HE MET 78 5.637 2.480 8.137 595 H VAL 79 H VAL 79 -1.498 2.391 6.066 596 HA VAL 79 HA VAL 79 -2.857 2.943 3.431 597 HB VAL 79 HB VAL 79 -3.973 2.969 6.245 598 1HG1 VAL 79 1HG1 VAL 79 -4.609 1.243 3.807 599 2HG1 VAL 79 2HG1 VAL 79 -3.741 0.700 5.261 600 3HG1 VAL 79 3HG1 VAL 79 -5.443 1.179 5.373 601 1HG2 VAL 79 1HG2 VAL 79 -5.185 3.825 3.581 602 2HG2 VAL 79 2HG2 VAL 79 -4.976 4.825 5.024 603 3HG2 VAL 79 3HG2 VAL 79 -6.139 3.508 5.048 604 H PHE 80 H PHE 80 -1.981 4.815 2.717 605 HA PHE 80 HA PHE 80 -1.425 7.041 4.599 606 1HB PHE 80 1HB PHE 80 -0.945 6.612 1.652 607 2HB PHE 80 2HB PHE 80 -0.784 8.185 2.423 608 HD1 PHE 80 HD1 PHE 80 0.564 4.687 2.456 609 HD2 PHE 80 HD2 PHE 80 1.069 8.744 3.833 610 HE1 PHE 80 HE1 PHE 80 2.831 4.137 3.316 611 HE2 PHE 80 HE2 PHE 80 3.239 8.126 4.852 612 HZ PHE 80 HZ PHE 80 4.055 5.770 4.714 613 H LYS 81 HN LYS 81 -2.529 8.905 4.593 614 HA LYS 81 HA LYS 81 -5.124 9.067 3.114 615 1HB LYS 81 1HB LYS 81 -6.392 9.472 5.042 616 2HB LYS 81 2HB LYS 81 -5.422 8.054 5.430 617 1HG LYS 81 2HG LYS 81 -5.134 10.901 6.452 618 2HG LYS 81 1HG LYS 81 -5.428 9.421 7.363 619 1HD LYS 81 1HD LYS 81 -3.123 8.619 6.655 620 2HD LYS 81 2HD LYS 81 -2.849 10.225 5.946 621 1HE LYS 81 1HE LYS 81 -3.543 9.879 8.880 622 2HE LYS 81 2HE LYS 81 -1.893 9.952 8.250 623 1HZ LYS 81 1HZ LYS 81 -2.418 12.075 7.261 624 2HZ LYS 81 2HZ LYS 81 -2.595 12.102 8.904 625 3HZ LYS 81 3HZ LYS 81 -3.922 12.041 7.929 626 H GLY 82 H GLY 82 -2.411 10.269 2.956 627 1HA GLY 82 1HA GLY 82 -1.879 12.262 2.094 628 2HA GLY 82 2HA GLY 82 -3.159 13.141 2.956 629 H GLY 83 H GLY 83 -0.034 13.136 2.711 630 1HA GLY 83 2HA GLY 83 1.676 13.917 3.915 631 2HA GLY 83 1HA GLY 83 0.591 14.216 5.286 632 H LYS 84 HN LYS 84 -0.188 11.659 5.956 633 HA LYS 84 HA LYS 84 2.295 10.082 6.455 634 1HB LYS 84 2HB LYS 84 0.361 11.026 8.614 635 2HB LYS 84 1HB LYS 84 1.764 9.970 8.860 636 1HG LYS 84 2HG LYS 84 3.221 11.847 7.955 637 2HG LYS 84 1HG LYS 84 1.808 12.905 8.055 638 1HD LYS 84 2HD LYS 84 3.075 11.388 10.385 639 2HD LYS 84 1HD LYS 84 3.275 13.109 10.023 640 1HE LYS 84 2HE LYS 84 0.794 13.426 10.300 641 2HE LYS 84 1HE LYS 84 0.661 11.726 10.796 642 1HZ LYS 84 1HZ LYS 84 2.134 12.197 12.605 643 2HZ LYS 84 2HZ LYS 84 2.254 13.778 12.153 644 3HZ LYS 84 3HZ LYS 84 0.809 13.174 12.661 645 H LYS 85 HN LYS 85 1.557 8.138 7.902 646 HA LYS 85 HA LYS 85 -0.527 6.687 6.409 647 1HB LYS 85 1HB LYS 85 0.399 4.716 7.485 648 2HB LYS 85 2HB LYS 85 1.602 5.601 6.571 649 1HG LYS 85 1HG LYS 85 2.911 5.912 8.331 650 2HG LYS 85 2HG LYS 85 1.621 6.568 9.340 651 1HD LYS 85 1HD LYS 85 2.188 3.625 8.865 652 2HD LYS 85 2HD LYS 85 2.688 4.538 10.292 653 1HE LYS 85 2HE LYS 85 -0.200 3.954 9.476 654 2HE LYS 85 1HE LYS 85 0.693 3.234 10.815 655 1HZ LYS 85 1HZ LYS 85 0.006 6.077 10.603 656 2HZ LYS 85 2HZ LYS 85 -0.771 4.950 11.510 657 3HZ LYS 85 3HZ LYS 85 0.795 5.351 11.859 658 H CYS 86 H CYS 86 -2.178 5.577 7.477 659 HA CYS 86 HA CYS 86 -2.997 6.629 10.164 660 1HB CYS 86 2HB CYS 86 -4.507 7.261 8.324 661 2HB CYS 86 1HB CYS 86 -4.721 5.571 7.862 662 HG CYS 86 HG CYS 86 -5.563 4.792 10.255 663 H GLU 87 HN GLU 87 -3.711 3.815 8.083 664 HA GLU 87 HA GLU 87 -3.452 1.994 10.429 665 1HB GLU 87 1HB GLU 87 -4.558 1.379 7.666 666 2HB GLU 87 2HB GLU 87 -4.594 0.346 9.087 667 1HG GLU 87 1HG GLU 87 -6.072 3.002 8.794 668 2HG GLU 87 2HG GLU 87 -6.747 1.380 8.718 669 H THR 88 H THR 88 -2.319 -0.091 10.019 670 HA THR 88 HA THR 88 -0.525 -0.304 7.745 671 HB THR 88 HB THR 88 0.581 -0.031 10.560 672 HG1 THR 88 HG1 THR 88 0.198 1.706 8.606 673 1HG2 THR 88 1HG2 THR 88 1.930 -0.871 7.948 674 2HG2 THR 88 2HG2 THR 88 1.785 -1.847 9.425 675 3HG2 THR 88 3HG2 THR 88 2.797 -0.396 9.425 676 H ILE 89 H ILE 89 -1.064 -2.324 7.127 677 HA ILE 89 HA ILE 89 -1.657 -4.399 9.191 678 HB ILE 89 HB ILE 89 -2.017 -4.895 6.244 679 1HG1 ILE 89 1HG1 ILE 89 -3.119 -2.724 6.428 680 2HG1 ILE 89 2HG1 ILE 89 -4.248 -4.051 6.214 681 1HG2 ILE 89 1HG2 ILE 89 -3.504 -5.749 8.766 682 2HG2 ILE 89 2HG2 ILE 89 -2.436 -6.741 7.755 683 3HG2 ILE 89 3HG2 ILE 89 -3.983 -6.178 7.119 684 1HD1 ILE 89 1HD1 ILE 89 -5.022 -2.333 7.842 685 2HD1 ILE 89 2HD1 ILE 89 -3.691 -2.764 8.926 686 3HD1 ILE 89 3HD1 ILE 89 -4.948 -3.959 8.540 687 H ILE 90 H ILE 90 -0.574 -6.572 8.656 688 HA ILE 90 HA ILE 90 1.993 -6.333 7.227 689 HB ILE 90 HB ILE 90 1.837 -7.117 10.179 690 1HG1 ILE 90 1HG1 ILE 90 2.995 -4.617 8.862 691 2HG1 ILE 90 2HG1 ILE 90 1.618 -4.690 9.978 692 1HG2 ILE 90 1HG2 ILE 90 4.300 -7.275 10.037 693 2HG2 ILE 90 2HG2 ILE 90 4.248 -6.821 8.321 694 3HG2 ILE 90 3HG2 ILE 90 3.577 -8.368 8.886 695 1HD1 ILE 90 1HD1 ILE 90 3.165 -5.567 11.753 696 2HD1 ILE 90 2HD1 ILE 90 4.523 -5.161 10.669 697 3HD1 ILE 90 3HD1 ILE 90 3.433 -3.892 11.233 698 H GLY 91 H GLY 91 2.734 -8.341 6.526 699 1HA GLY 91 2HA GLY 91 2.787 -10.651 6.310 700 2HA GLY 91 1HA GLY 91 1.460 -10.827 7.465 701 H ALA 92 H ALA 92 1.422 -12.411 5.289 702 HA ALA 92 HA ALA 92 0.119 -11.346 2.995 703 1HB ALA 92 1HB ALA 92 1.385 -13.433 2.932 704 2HB ALA 92 2HB ALA 92 0.283 -14.187 4.105 705 3HB ALA 92 3HB ALA 92 -0.293 -13.767 2.482 706 H VAL 93 H VAL 93 -1.566 -10.029 4.030 707 HA VAL 93 HA VAL 93 -3.691 -11.274 5.461 708 HB VAL 93 HB VAL 93 -4.710 -8.973 4.117 709 1HG1 VAL 93 1HG1 VAL 93 -2.056 -8.370 5.495 710 2HG1 VAL 93 2HG1 VAL 93 -2.349 -8.227 3.738 711 3HG1 VAL 93 3HG1 VAL 93 -3.214 -7.186 4.870 712 1HG2 VAL 93 1HG2 VAL 93 -5.133 -8.035 6.149 713 2HG2 VAL 93 2HG2 VAL 93 -4.004 -9.139 6.988 714 3HG2 VAL 93 3HG2 VAL 93 -5.485 -9.757 6.221 715 HA PRO 94 HA PRO 94 -6.285 -12.300 1.820 716 1HB PRO 94 1HB PRO 94 -8.671 -12.412 3.535 717 2HB PRO 94 2HB PRO 94 -7.833 -13.761 2.723 718 1HG PRO 94 1HG PRO 94 -7.812 -13.442 5.478 719 2HG PRO 94 2HG PRO 94 -6.408 -14.106 4.584 720 1HD PRO 94 1HD PRO 94 -6.903 -11.226 5.362 721 2HD PRO 94 2HD PRO 94 -5.472 -12.187 5.753 722 H LYS 95 HN LYS 95 -7.745 -11.023 0.504 723 HA LYS 95 HA LYS 95 -7.740 -8.329 0.994 724 1HB LYS 95 1HB LYS 95 -9.550 -8.172 -0.747 725 2HB LYS 95 2HB LYS 95 -8.214 -9.214 -1.273 726 1HG LYS 95 1HG LYS 95 -9.633 -11.212 -0.706 727 2HG LYS 95 2HG LYS 95 -10.956 -10.125 -0.248 728 1HD LYS 95 2HD LYS 95 -9.775 -10.390 -3.023 729 2HD LYS 95 1HD LYS 95 -11.324 -11.001 -2.448 730 1HE LYS 95 2HE LYS 95 -11.973 -8.573 -1.922 731 2HE LYS 95 1HE LYS 95 -10.511 -8.085 -2.806 732 1HZ LYS 95 1HZ LYS 95 -12.752 -9.634 -3.881 733 2HZ LYS 95 2HZ LYS 95 -11.363 -9.296 -4.697 734 3HZ LYS 95 3HZ LYS 95 -12.373 -8.073 -4.243 735 H ALA 96 H ALA 96 -10.349 -10.564 1.787 736 HA ALA 96 HA ALA 96 -12.424 -8.931 2.539 737 1HB ALA 96 1HB ALA 96 -12.481 -11.387 2.725 738 2HB ALA 96 2HB ALA 96 -11.369 -11.331 4.111 739 3HB ALA 96 3HB ALA 96 -12.998 -10.634 4.246 740 H THR 97 H THR 97 -9.619 -9.733 4.677 741 HA THR 97 HA THR 97 -10.430 -8.114 6.853 742 HB THR 97 HB THR 97 -7.608 -8.869 5.994 743 HG1 THR 97 HG1 THR 97 -9.574 -10.384 7.373 744 1HG2 THR 97 1HG2 THR 97 -7.717 -7.378 7.978 745 2HG2 THR 97 2HG2 THR 97 -8.878 -8.477 8.752 746 3HG2 THR 97 3HG2 THR 97 -7.213 -9.012 8.443 747 H ILE 98 H ILE 98 -8.231 -7.460 4.082 748 HA ILE 98 HA ILE 98 -7.363 -4.862 4.867 749 HB ILE 98 HB ILE 98 -7.675 -6.199 2.126 750 1HG1 ILE 98 2HG1 ILE 98 -5.236 -5.658 3.875 751 2HG1 ILE 98 1HG1 ILE 98 -6.080 -7.205 3.728 752 1HG2 ILE 98 1HG2 ILE 98 -6.291 -3.570 2.839 753 2HG2 ILE 98 2HG2 ILE 98 -7.748 -3.727 1.835 754 3HG2 ILE 98 3HG2 ILE 98 -6.230 -4.378 1.256 755 1HD1 ILE 98 1HD1 ILE 98 -5.592 -7.184 1.250 756 2HD1 ILE 98 2HD1 ILE 98 -4.173 -7.323 2.300 757 3HD1 ILE 98 3HD1 ILE 98 -4.538 -5.777 1.532 758 H VAL 99 H VAL 99 -9.970 -5.856 2.668 759 HA VAL 99 HA VAL 99 -11.140 -3.393 2.069 760 HB VAL 99 HB VAL 99 -12.249 -6.223 2.319 761 1HG1 VAL 99 1HG2 VAL 99 -13.702 -3.727 1.383 762 2HG1 VAL 99 2HG2 VAL 99 -14.208 -5.377 0.972 763 3HG1 VAL 99 3HG2 VAL 99 -14.206 -4.853 2.657 764 1HG2 VAL 99 1HG1 VAL 99 -11.666 -4.458 -0.094 765 2HG2 VAL 99 2HG1 VAL 99 -10.593 -5.739 0.498 766 3HG2 VAL 99 3HG1 VAL 99 -12.199 -6.151 -0.122 767 H GLN 100 H GLN 100 -12.285 -5.714 4.623 768 HA GLN 100 HA GLN 100 -14.164 -3.961 5.746 769 1HB GLN 100 1HB GLN 100 -12.465 -6.194 6.941 770 2HB GLN 100 2HB GLN 100 -13.692 -5.373 7.891 771 1HG GLN 100 2HG GLN 100 -14.182 -6.882 5.274 772 2HG GLN 100 1HG GLN 100 -14.549 -7.473 6.899 773 1HE2 GLN 100 1HE2 GLN 100 -15.568 -4.760 7.813 774 2HE2 GLN 100 2HE2 GLN 100 -17.133 -4.635 7.028 775 H THR 101 H THR 101 -10.707 -4.287 6.587 776 HA THR 101 HA THR 101 -10.776 -2.517 8.813 777 HB THR 101 HB THR 101 -8.426 -3.146 6.950 778 HG1 THR 101 HG1 THR 101 -9.288 -4.982 7.892 779 1HG2 THR 101 1HG2 THR 101 -8.579 -2.010 9.783 780 2HG2 THR 101 2HG2 THR 101 -7.102 -2.613 9.016 781 3HG2 THR 101 3HG2 THR 101 -7.920 -1.191 8.348 782 H VAL 102 H VAL 102 -10.168 -1.835 5.287 783 HA VAL 102 HA VAL 102 -9.763 0.995 5.885 784 HB VAL 102 HB VAL 102 -10.265 -0.473 3.312 785 1HG1 VAL 102 1HG1 VAL 102 -7.748 0.744 4.524 786 2HG1 VAL 102 2HG1 VAL 102 -8.112 -1.001 4.457 787 3HG1 VAL 102 3HG1 VAL 102 -7.845 -0.097 2.974 788 1HG2 VAL 102 1HG2 VAL 102 -9.631 2.460 3.906 789 2HG2 VAL 102 2HG2 VAL 102 -9.262 1.748 2.337 790 3HG2 VAL 102 3HG2 VAL 102 -10.938 1.813 2.889 791 H GLU 103 HN GLU 103 -12.504 -0.917 4.640 792 HA GLU 103 HA GLU 103 -14.246 1.129 3.928 793 1HB GLU 103 1HB GLU 103 -14.744 -1.602 5.156 794 2HB GLU 103 2HB GLU 103 -16.047 -0.576 4.566 795 1HG GLU 103 2HG GLU 103 -13.690 -1.340 2.780 796 2HG GLU 103 1HG GLU 103 -15.130 -2.362 2.951 797 H LYS 104 HN LYS 104 -13.724 -0.289 7.138 798 HA LYS 104 HA LYS 104 -15.514 1.058 8.763 799 1HB LYS 104 2HB LYS 104 -13.809 -0.586 9.506 800 2HB LYS 104 1HB LYS 104 -12.544 0.594 9.142 801 1HG LYS 104 2HG LYS 104 -13.570 2.116 10.928 802 2HG LYS 104 1HG LYS 104 -14.570 0.722 11.393 803 1HD LYS 104 2HD LYS 104 -12.456 -0.607 11.685 804 2HD LYS 104 1HD LYS 104 -11.525 0.801 11.164 805 1HE LYS 104 2HE LYS 104 -12.406 2.108 13.107 806 2HE LYS 104 1HE LYS 104 -13.266 0.659 13.669 807 1HZ LYS 104 1HZ LYS 104 -10.356 0.931 13.338 808 2HZ LYS 104 2HZ LYS 104 -11.136 -0.429 13.853 809 3HZ LYS 104 3HZ LYS 104 -11.175 0.941 14.768 810 H TYR 105 H TYR 105 -12.500 2.375 7.350 811 HA TYR 105 HA TYR 105 -12.857 5.021 8.645 812 1HB TYR 105 2HB TYR 105 -10.641 3.904 6.881 813 2HB TYR 105 1HB TYR 105 -10.586 5.403 7.805 814 HD1 TYR 105 HD1 TYR 105 -11.001 5.148 10.410 815 HD2 TYR 105 HD2 TYR 105 -9.445 2.078 7.829 816 HE1 TYR 105 HE1 TYR 105 -10.096 3.940 12.387 817 HE2 TYR 105 HE2 TYR 105 -8.743 0.780 9.799 818 HH TYR 105 HH TYR 105 -8.097 1.063 12.071 819 H LEU 106 H LEU 106 -13.837 3.494 5.726 820 HA LEU 106 HA LEU 106 -14.039 6.050 4.303 821 1HB LEU 106 1HB LEU 106 -11.651 5.091 4.135 822 2HB LEU 106 2HB LEU 106 -12.316 3.763 3.214 823 HG LEU 106 HG LEU 106 -11.153 5.547 2.041 824 1HD1 LEU 106 1HD2 LEU 106 -12.095 7.728 1.598 825 2HD1 LEU 106 2HD2 LEU 106 -13.568 7.341 2.500 826 3HD1 LEU 106 3HD2 LEU 106 -12.012 7.482 3.353 827 1HD2 LEU 106 1HD1 LEU 106 -14.045 5.263 1.065 828 2HD2 LEU 106 2HD1 LEU 106 -12.666 5.751 0.084 829 3HD2 LEU 106 3HD1 LEU 106 -12.724 4.119 0.769 830 H ASN 107 H ASN 107 -16.328 5.564 4.388 831 HA ASN 107 HA ASN 107 -17.305 3.988 2.225 832 1HB ASN 107 1HB ASN 107 -17.033 2.315 4.153 833 2HB ASN 107 2HB ASN 107 -18.186 3.290 5.069 834 1HD2 ASN 107 2HD2 ASN 107 -19.926 3.821 2.633 835 2HD2 ASN 107 1HD2 ASN 107 -20.697 2.263 2.311 Start of MODEL 24 1 1H MET 1 1H MET 1 -1.317 -3.329 -10.924 2 2H MET 1 2H MET 1 -0.337 -2.035 -10.990 3 3H MET 1 3H MET 1 0.115 -3.467 -11.722 4 HA MET 1 HA MET 1 -0.603 -1.786 -13.312 5 1HB MET 1 2HB MET 1 -2.468 -3.193 -14.382 6 2HB MET 1 1HB MET 1 -0.850 -3.854 -14.251 7 1HG MET 1 1HG MET 1 -3.146 -4.610 -12.399 8 2HG MET 1 2HG MET 1 -2.645 -5.491 -13.822 9 1HE MET 1 1HE MET 1 -0.642 -6.989 -14.089 10 2HE MET 1 2HE MET 1 0.643 -7.202 -12.882 11 3HE MET 1 3HE MET 1 0.525 -5.677 -13.783 12 H GLU 2 HN GLU 2 -3.457 -2.940 -11.392 13 HA GLU 2 HA GLU 2 -4.979 -0.506 -11.977 14 1HB GLU 2 1HB GLU 2 -5.340 -2.707 -9.897 15 2HB GLU 2 2HB GLU 2 -6.511 -1.434 -10.251 16 1HG GLU 2 2HG GLU 2 -6.812 -2.284 -12.533 17 2HG GLU 2 1HG GLU 2 -5.564 -3.513 -12.289 18 H ALA 3 H ALA 3 -3.071 -2.004 -9.414 19 HA ALA 3 HA ALA 3 -2.857 0.493 -7.844 20 1HB ALA 3 1HB ALA 3 -1.635 -2.285 -7.477 21 2HB ALA 3 2HB ALA 3 -3.081 -1.665 -6.655 22 3HB ALA 3 3HB ALA 3 -1.491 -0.928 -6.338 23 H GLY 4 H GLY 4 -0.989 1.792 -7.987 24 1HA GLY 4 2HA GLY 4 0.744 1.364 -10.323 25 2HA GLY 4 1HA GLY 4 0.775 2.718 -9.189 26 H ALA 5 H ALA 5 3.204 2.197 -9.621 27 HA ALA 5 HA ALA 5 4.209 0.454 -7.439 28 1HB ALA 5 1HB ALA 5 4.612 -0.729 -9.565 29 2HB ALA 5 2HB ALA 5 5.389 0.725 -10.235 30 3HB ALA 5 3HB ALA 5 6.130 -0.130 -8.864 31 H VAL 6 H VAL 6 5.851 1.520 -6.240 32 HA VAL 6 HA VAL 6 6.785 4.150 -7.242 33 HB VAL 6 HB VAL 6 6.403 5.009 -4.801 34 1HG1 VAL 6 1HG1 VAL 6 4.250 2.861 -4.837 35 2HG1 VAL 6 2HG1 VAL 6 5.655 2.953 -3.771 36 3HG1 VAL 6 3HG1 VAL 6 4.403 4.193 -3.681 37 1HG2 VAL 6 1HG2 VAL 6 4.146 5.827 -5.408 38 2HG2 VAL 6 2HG2 VAL 6 4.225 4.807 -6.869 39 3HG2 VAL 6 3HG2 VAL 6 5.405 6.097 -6.620 40 H ASN 7 H ASN 7 8.342 5.118 -5.811 41 HA ASN 7 HA ASN 7 10.141 3.358 -4.331 42 1HB ASN 7 2HB ASN 7 10.854 4.865 -6.900 43 2HB ASN 7 1HB ASN 7 12.078 4.317 -5.773 44 1HD2 ASN 7 2HD2 ASN 7 12.358 1.996 -5.387 45 2HD2 ASN 7 1HD2 ASN 7 11.810 0.871 -6.610 46 H ASP 8 HN ASP 8 11.921 4.877 -3.514 47 HA ASP 8 HA ASP 8 11.158 6.712 -1.801 48 1HB ASP 8 2HB ASP 8 13.500 5.949 -2.218 49 2HB ASP 8 1HB ASP 8 13.645 7.082 -3.551 50 H ASP 9 HN ASP 9 12.281 7.867 -4.951 51 HA ASP 9 HA ASP 9 11.559 10.553 -4.666 52 1HB ASP 9 1HB ASP 9 11.721 8.935 -7.254 53 2HB ASP 9 2HB ASP 9 11.896 10.683 -7.073 54 H THR 10 H THR 10 9.749 7.987 -6.457 55 HA THR 10 HA THR 10 7.671 9.764 -7.306 56 HB THR 10 HB THR 10 6.608 7.585 -8.000 57 HG1 THR 10 HG1 THR 10 8.095 5.774 -7.792 58 1HG2 THR 10 1HG2 THR 10 8.317 7.037 -9.674 59 2HG2 THR 10 2HG2 THR 10 8.241 8.795 -9.457 60 3HG2 THR 10 3HG2 THR 10 9.567 7.863 -8.730 61 H PHE 11 H PHE 11 7.977 7.497 -4.619 62 HA PHE 11 HA PHE 11 5.504 7.209 -3.548 63 1HB PHE 11 1HB PHE 11 7.719 6.427 -2.640 64 2HB PHE 11 2HB PHE 11 7.975 8.003 -1.947 65 HD1 PHE 11 HD1 PHE 11 6.162 4.812 -1.711 66 HD2 PHE 11 HD2 PHE 11 6.622 8.734 0.029 67 HE1 PHE 11 HE1 PHE 11 5.192 3.985 0.413 68 HE2 PHE 11 HE2 PHE 11 5.604 7.912 2.132 69 HZ PHE 11 HZ PHE 11 4.936 5.530 2.345 70 H LYS 12 HN LYS 12 7.602 9.994 -3.115 71 HA LYS 12 HA LYS 12 5.984 11.572 -1.399 72 1HB LYS 12 1HB LYS 12 7.872 12.445 -3.635 73 2HB LYS 12 2HB LYS 12 7.162 13.492 -2.412 74 1HG LYS 12 1HG LYS 12 8.283 12.045 -0.633 75 2HG LYS 12 2HG LYS 12 8.969 11.061 -1.934 76 1HD LYS 12 1HD LYS 12 10.051 13.211 -2.836 77 2HD LYS 12 2HD LYS 12 9.555 13.982 -1.318 78 1HE LYS 12 1HE LYS 12 11.834 13.231 -1.036 79 2HE LYS 12 2HE LYS 12 10.820 12.133 -0.082 80 1HZ LYS 12 1HZ LYS 12 12.442 10.943 -1.390 81 2HZ LYS 12 2HZ LYS 12 10.942 10.575 -1.940 82 3HZ LYS 12 3HZ LYS 12 11.889 11.625 -2.776 83 H ASN 13 H ASN 13 6.248 11.895 -4.953 84 HA ASN 13 HA ASN 13 4.147 13.812 -5.235 85 1HB ASN 13 1HB ASN 13 5.237 11.852 -7.283 86 2HB ASN 13 2HB ASN 13 4.399 13.372 -7.603 87 1HD2 ASN 13 2HD2 ASN 13 5.931 14.905 -5.421 88 2HD2 ASN 13 1HD2 ASN 13 7.501 15.118 -6.170 89 H VAL 14 H VAL 14 4.219 10.341 -5.241 90 HA VAL 14 HA VAL 14 1.510 10.135 -6.460 91 HB VAL 14 HB VAL 14 3.633 8.102 -5.684 92 1HG1 VAL 14 1HG1 VAL 14 3.925 7.884 -8.129 93 2HG1 VAL 14 2HG1 VAL 14 2.673 9.110 -8.404 94 3HG1 VAL 14 3HG1 VAL 14 4.209 9.558 -7.647 95 1HG2 VAL 14 1HG2 VAL 14 1.497 6.966 -5.570 96 2HG2 VAL 14 2HG2 VAL 14 2.311 6.510 -7.075 97 3HG2 VAL 14 3HG2 VAL 14 0.984 7.687 -7.118 98 H VAL 15 H VAL 15 3.092 9.008 -3.437 99 HA VAL 15 HA VAL 15 0.524 8.104 -2.357 100 HB VAL 15 HB VAL 15 3.275 8.115 -1.028 101 1HG1 VAL 15 1HG1 VAL 15 0.723 6.601 -0.426 102 2HG1 VAL 15 2HG1 VAL 15 2.304 6.337 0.351 103 3HG1 VAL 15 3HG1 VAL 15 1.464 7.873 0.560 104 1HG2 VAL 15 1HG2 VAL 15 3.454 5.785 -1.764 105 2HG2 VAL 15 2HG2 VAL 15 3.371 6.850 -3.163 106 3HG2 VAL 15 3HG2 VAL 15 1.936 5.943 -2.681 107 H LEU 16 H LEU 16 3.107 10.446 -1.353 108 HA LEU 16 HA LEU 16 1.469 11.350 0.874 109 1HB LEU 16 1HB LEU 16 3.914 12.695 -0.344 110 2HB LEU 16 2HB LEU 16 3.189 13.036 1.217 111 HG LEU 16 HG LEU 16 4.552 10.436 0.383 112 1HD1 LEU 16 1HD1 LEU 16 5.286 12.539 2.462 113 2HD1 LEU 16 2HD1 LEU 16 6.040 12.381 0.863 114 3HD1 LEU 16 3HD1 LEU 16 6.215 11.080 2.057 115 1HD2 LEU 16 1HD2 LEU 16 4.275 9.828 2.822 116 2HD2 LEU 16 2HD2 LEU 16 2.769 9.812 1.902 117 3HD2 LEU 16 3HD2 LEU 16 3.136 11.178 2.984 118 H GLU 17 HN GLU 17 2.412 13.003 -2.207 119 HA GLU 17 HA GLU 17 0.549 15.188 -1.688 120 1HB GLU 17 2HB GLU 17 2.170 14.421 -4.145 121 2HB GLU 17 1HB GLU 17 1.355 15.959 -3.881 122 1HG GLU 17 1HG GLU 17 2.798 16.453 -1.950 123 2HG GLU 17 2HG GLU 17 3.623 14.899 -2.121 124 H SER 18 H SER 18 -1.023 12.979 -1.510 125 HA SER 18 HA SER 18 -2.293 12.381 -4.104 126 1HB SER 18 1HB SER 18 -3.579 10.800 -2.543 127 2HB SER 18 2HB SER 18 -1.846 10.494 -2.765 128 HG SER 18 HG SER 18 -1.496 10.950 -0.739 129 H SER 19 H SER 19 -4.629 12.553 -4.319 130 HA SER 19 HA SER 19 -5.808 14.935 -3.039 131 1HB SER 19 1HB SER 19 -7.571 14.366 -4.826 132 2HB SER 19 2HB SER 19 -5.968 14.848 -5.419 133 HG SER 19 HG SER 19 -6.664 12.946 -6.477 134 H VAL 20 H VAL 20 -7.014 11.779 -4.045 135 HA VAL 20 HA VAL 20 -8.784 11.509 -1.704 136 HB VAL 20 HB VAL 20 -9.397 9.333 -2.745 137 1HG1 VAL 20 1HG1 VAL 20 -7.492 10.054 -5.014 138 2HG1 VAL 20 2HG1 VAL 20 -8.608 8.682 -4.940 139 3HG1 VAL 20 3HG1 VAL 20 -7.234 8.753 -3.834 140 1HG2 VAL 20 1HG2 VAL 20 -10.531 10.230 -4.699 141 2HG2 VAL 20 2HG2 VAL 20 -9.468 11.652 -4.712 142 3HG2 VAL 20 3HG2 VAL 20 -10.597 11.391 -3.362 143 HA PRO 21 HA PRO 21 -5.986 9.184 0.836 144 1HB PRO 21 1HB PRO 21 -8.083 6.991 0.878 145 2HB PRO 21 2HB PRO 21 -7.151 7.633 2.262 146 1HG PRO 21 2HG PRO 21 -9.661 8.413 1.854 147 2HG PRO 21 1HG PRO 21 -8.438 9.660 2.250 148 1HD PRO 21 1HD PRO 21 -9.623 9.003 -0.459 149 2HD PRO 21 2HD PRO 21 -9.225 10.587 0.261 150 H VAL 22 H VAL 22 -4.812 7.062 0.980 151 HA VAL 22 HA VAL 22 -4.671 5.601 -1.583 152 HB VAL 22 HB VAL 22 -2.235 6.688 -0.115 153 1HG1 VAL 22 1HG2 VAL 22 -1.156 6.187 -2.304 154 2HG1 VAL 22 2HG2 VAL 22 -1.823 4.751 -1.504 155 3HG1 VAL 22 3HG2 VAL 22 -2.696 5.489 -2.855 156 1HG2 VAL 22 1HG1 VAL 22 -1.990 8.342 -1.933 157 2HG2 VAL 22 2HG1 VAL 22 -3.377 8.684 -0.896 158 3HG2 VAL 22 3HG1 VAL 22 -3.626 7.962 -2.500 159 H LEU 23 H LEU 23 -4.005 3.438 -1.325 160 HA LEU 23 HA LEU 23 -3.141 2.517 1.401 161 1HB LEU 23 1HB LEU 23 -5.377 1.796 0.942 162 2HB LEU 23 2HB LEU 23 -4.938 1.104 -0.621 163 HG LEU 23 HG LEU 23 -3.550 0.171 1.920 164 1HD1 LEU 23 1HD1 LEU 23 -2.655 -0.848 -0.120 165 2HD1 LEU 23 2HD1 LEU 23 -4.294 -1.177 -0.728 166 3HD1 LEU 23 3HD1 LEU 23 -3.658 -2.057 0.667 167 1HD2 LEU 23 1HD2 LEU 23 -5.953 0.128 2.437 168 2HD2 LEU 23 2HD2 LEU 23 -5.300 -1.508 2.288 169 3HD2 LEU 23 3HD2 LEU 23 -6.260 -0.823 0.962 170 H VAL 24 H VAL 24 -0.924 2.244 1.138 171 HA VAL 24 HA VAL 24 -0.010 1.242 -1.513 172 HB VAL 24 HB VAL 24 2.136 2.072 -1.082 173 1HG1 VAL 24 1HG2 VAL 24 0.419 3.710 -1.829 174 2HG1 VAL 24 2HG2 VAL 24 1.768 4.424 -0.933 175 3HG1 VAL 24 3HG2 VAL 24 0.197 4.221 -0.137 176 1HG2 VAL 24 1HG1 VAL 24 2.468 1.594 1.280 177 2HG2 VAL 24 2HG1 VAL 24 2.750 3.312 0.981 178 3HG2 VAL 24 3HG1 VAL 24 1.220 2.785 1.714 179 H ASP 25 HN ASP 25 1.381 -0.561 -1.587 180 HA ASP 25 HA ASP 25 1.566 -2.195 0.931 181 1HB ASP 25 1HB ASP 25 0.173 -3.290 -0.751 182 2HB ASP 25 2HB ASP 25 1.457 -3.101 -1.960 183 H PHE 26 H PHE 26 3.604 -2.281 1.755 184 HA PHE 26 HA PHE 26 5.953 -1.587 0.081 185 1HB PHE 26 1HB PHE 26 5.580 -2.369 2.992 186 2HB PHE 26 2HB PHE 26 7.146 -2.254 2.223 187 HD1 PHE 26 HD1 PHE 26 8.325 -0.289 2.407 188 HD2 PHE 26 HD2 PHE 26 4.025 -0.117 2.672 189 HE1 PHE 26 HE1 PHE 26 8.445 2.147 2.756 190 HE2 PHE 26 HE2 PHE 26 4.155 2.311 3.099 191 HZ PHE 26 HZ PHE 26 6.352 3.455 3.172 192 H TRP 27 H TRP 27 6.662 -3.173 -1.281 193 HA TRP 27 HA TRP 27 6.428 -6.029 -0.415 194 1HB TRP 27 2HB TRP 27 5.696 -6.623 -2.624 195 2HB TRP 27 1HB TRP 27 4.642 -5.348 -2.054 196 HD1 TRP 27 HD1 TRP 27 5.402 -2.816 -3.035 197 HE1 TRP 27 HE1 TRP 27 6.461 -2.114 -5.295 198 HE3 TRP 27 HE3 TRP 27 6.915 -7.414 -4.646 199 HZ2 TRP 27 HZ2 TRP 27 7.947 -3.384 -7.381 200 HZ3 TRP 27 HZ3 TRP 27 8.040 -7.641 -6.850 201 HH2 TRP 27 HH2 TRP 27 8.619 -5.644 -8.187 202 H ALA 28 H ALA 28 7.616 -7.315 -2.401 203 HA ALA 28 HA ALA 28 9.907 -6.043 -3.523 204 1HB ALA 28 1HB ALA 28 10.425 -8.100 -1.306 205 2HB ALA 28 2HB ALA 28 11.666 -7.343 -2.298 206 3HB ALA 28 3HB ALA 28 10.757 -6.359 -1.154 207 HA PRO 29 HA PRO 29 9.148 -9.403 -6.297 208 1HB PRO 29 1HB PRO 29 11.610 -10.170 -7.254 209 2HB PRO 29 2HB PRO 29 10.743 -8.664 -7.694 210 1HG PRO 29 1HG PRO 29 12.916 -8.985 -5.602 211 2HG PRO 29 2HG PRO 29 12.809 -7.755 -6.894 212 1HD PRO 29 1HD PRO 29 11.961 -7.145 -4.409 213 2HD PRO 29 2HD PRO 29 10.969 -6.670 -5.797 214 H TRP 30 H TRP 30 11.799 -10.165 -4.049 215 HA TRP 30 HA TRP 30 11.344 -13.020 -4.096 216 1HB TRP 30 1HB TRP 30 12.830 -12.949 -2.088 217 2HB TRP 30 2HB TRP 30 13.499 -12.175 -3.519 218 HD1 TRP 30 HD1 TRP 30 14.195 -9.701 -3.356 219 HE1 TRP 30 HE1 TRP 30 14.324 -7.966 -1.486 220 HE3 TRP 30 HE3 TRP 30 11.370 -12.115 0.189 221 HZ2 TRP 30 HZ2 TRP 30 13.129 -7.553 1.114 222 HZ3 TRP 30 HZ3 TRP 30 10.761 -10.955 2.281 223 HH2 TRP 30 HH2 TRP 30 11.541 -8.640 2.710 224 H CYS 31 H CYS 31 9.478 -10.442 -2.722 225 HA CYS 31 HA CYS 31 8.798 -11.865 -0.243 226 1HB CYS 31 1HB CYS 31 8.780 -9.390 -0.360 227 2HB CYS 31 2HB CYS 31 7.485 -9.477 -1.535 228 H GLY 32 H GLY 32 8.234 -13.893 -1.377 229 1HA GLY 32 1HA GLY 32 6.190 -14.487 -3.070 230 2HA GLY 32 2HA GLY 32 6.472 -15.436 -1.606 231 HA PRO 33 HA PRO 33 2.694 -14.115 0.239 232 1HB PRO 33 2HB PRO 33 3.982 -12.239 2.203 233 2HB PRO 33 1HB PRO 33 2.804 -13.546 2.514 234 1HG PRO 33 1HG PRO 33 5.374 -13.905 3.101 235 2HG PRO 33 2HG PRO 33 4.472 -15.215 2.277 236 1HD PRO 33 1HD PRO 33 6.350 -13.206 1.010 237 2HD PRO 33 2HD PRO 33 6.245 -14.970 0.736 238 H CYS 34 H CYS 34 4.828 -11.440 -0.684 239 HA CYS 34 HA CYS 34 2.692 -9.404 -0.722 240 1HB CYS 34 2HB CYS 34 5.355 -9.264 -2.122 241 2HB CYS 34 1HB CYS 34 4.174 -8.008 -1.792 242 H ARG 35 HN ARG 35 4.678 -11.237 -3.058 243 HA ARG 35 HA ARG 35 3.519 -10.451 -5.459 244 1HB ARG 35 2HB ARG 35 4.699 -13.131 -4.612 245 2HB ARG 35 1HB ARG 35 4.368 -12.691 -6.278 246 1HG ARG 35 2HG ARG 35 6.235 -11.062 -4.493 247 2HG ARG 35 1HG ARG 35 6.768 -12.427 -5.465 248 1HD ARG 35 1HD ARG 35 5.405 -9.917 -6.558 249 2HD ARG 35 2HD ARG 35 7.130 -10.209 -6.556 250 HE ARG 35 HE ARG 35 5.163 -11.297 -8.369 251 1HH1 ARG 35 1HH2 ARG 35 8.338 -12.007 -6.896 252 2HH1 ARG 35 2HH2 ARG 35 8.883 -12.938 -8.257 253 1HH2 ARG 35 2HH1 ARG 35 5.891 -12.542 -10.113 254 2HH2 ARG 35 1HH1 ARG 35 7.474 -13.271 -10.098 255 H ILE 36 H ILE 36 2.521 -13.255 -3.405 256 HA ILE 36 HA ILE 36 0.406 -13.942 -5.264 257 HB ILE 36 HB ILE 36 -0.326 -15.539 -3.576 258 1HG1 ILE 36 2HG1 ILE 36 1.508 -15.632 -1.559 259 2HG1 ILE 36 1HG1 ILE 36 1.363 -13.884 -1.736 260 1HG2 ILE 36 1HG2 ILE 36 1.695 -16.884 -3.564 261 2HG2 ILE 36 2HG2 ILE 36 2.710 -15.464 -3.866 262 3HG2 ILE 36 3HG2 ILE 36 1.565 -16.019 -5.102 263 1HD1 ILE 36 1HD1 ILE 36 -0.248 -14.691 -0.087 264 2HD1 ILE 36 2HD1 ILE 36 -1.171 -14.195 -1.523 265 3HD1 ILE 36 3HD1 ILE 36 -0.863 -15.912 -1.217 266 H ILE 37 H ILE 37 0.518 -11.500 -2.726 267 HA ILE 37 HA ILE 37 -2.439 -11.299 -2.671 268 HB ILE 37 HB ILE 37 -0.222 -9.827 -1.195 269 1HG1 ILE 37 1HG1 ILE 37 -0.601 -12.198 -0.497 270 2HG1 ILE 37 2HG1 ILE 37 -0.950 -11.002 0.746 271 1HG2 ILE 37 1HG2 ILE 37 -2.134 -8.996 0.260 272 2HG2 ILE 37 2HG2 ILE 37 -2.027 -8.263 -1.331 273 3HG2 ILE 37 3HG2 ILE 37 -3.249 -9.507 -1.024 274 1HD1 ILE 37 1HD1 ILE 37 -3.035 -12.479 -0.926 275 2HD1 ILE 37 2HD1 ILE 37 -3.378 -11.307 0.372 276 3HD1 ILE 37 3HD1 ILE 37 -2.574 -12.837 0.740 277 H ALA 38 H ALA 38 0.368 -9.747 -4.161 278 HA ALA 38 HA ALA 38 -0.436 -7.330 -4.952 279 1HB ALA 38 1HB ALA 38 0.754 -9.348 -6.902 280 2HB ALA 38 2HB ALA 38 0.829 -7.586 -6.996 281 3HB ALA 38 3HB ALA 38 1.650 -8.432 -5.672 282 HA PRO 39 HA PRO 39 -3.294 -8.722 -8.597 283 1HB PRO 39 2HB PRO 39 -4.461 -11.289 -7.597 284 2HB PRO 39 1HB PRO 39 -3.955 -10.863 -9.254 285 1HG PRO 39 1HG PRO 39 -2.465 -12.576 -7.738 286 2HG PRO 39 2HG PRO 39 -1.661 -11.331 -8.746 287 1HD PRO 39 1HD PRO 39 -2.407 -11.134 -5.811 288 2HD PRO 39 2HD PRO 39 -0.796 -10.893 -6.547 289 H VAL 40 H VAL 40 -3.876 -9.706 -5.259 290 HA VAL 40 HA VAL 40 -6.679 -9.032 -5.151 291 HB VAL 40 HB VAL 40 -4.780 -9.346 -2.795 292 1HG1 VAL 40 1HG1 VAL 40 -7.030 -8.487 -2.357 293 2HG1 VAL 40 2HG1 VAL 40 -7.721 -9.921 -3.164 294 3HG1 VAL 40 3HG1 VAL 40 -6.770 -10.101 -1.666 295 1HG2 VAL 40 1HG2 VAL 40 -4.449 -11.377 -4.187 296 2HG2 VAL 40 2HG2 VAL 40 -6.207 -11.536 -4.380 297 3HG2 VAL 40 3HG2 VAL 40 -5.451 -11.758 -2.788 298 H VAL 41 H VAL 41 -3.557 -7.500 -4.226 299 HA VAL 41 HA VAL 41 -4.575 -5.084 -3.131 300 HB VAL 41 HB VAL 41 -2.055 -5.411 -4.848 301 1HG1 VAL 41 1HG1 VAL 41 -2.442 -5.719 -1.850 302 2HG1 VAL 41 2HG1 VAL 41 -1.894 -6.937 -3.023 303 3HG1 VAL 41 3HG1 VAL 41 -0.865 -5.563 -2.662 304 1HG2 VAL 41 1HG2 VAL 41 -2.612 -3.083 -4.629 305 2HG2 VAL 41 2HG2 VAL 41 -2.844 -3.249 -2.869 306 3HG2 VAL 41 3HG2 VAL 41 -1.234 -3.434 -3.591 307 H ASP 42 HN ASP 42 -3.649 -5.870 -6.490 308 HA ASP 42 HA ASP 42 -4.486 -3.465 -7.714 309 1HB ASP 42 1HB ASP 42 -4.099 -6.317 -8.666 310 2HB ASP 42 2HB ASP 42 -4.704 -5.084 -9.768 311 H GLU 43 HN GLU 43 -6.422 -6.575 -7.479 312 HA GLU 43 HA GLU 43 -8.633 -5.361 -8.789 313 1HB GLU 43 1HB GLU 43 -9.772 -7.263 -8.421 314 2HB GLU 43 2HB GLU 43 -8.115 -7.858 -8.346 315 1HG GLU 43 2HG GLU 43 -8.378 -7.627 -5.753 316 2HG GLU 43 1HG GLU 43 -10.098 -7.396 -6.073 317 H ILE 44 H ILE 44 -7.780 -5.536 -5.311 318 HA ILE 44 HA ILE 44 -10.224 -4.366 -4.350 319 HB ILE 44 HB ILE 44 -7.391 -4.513 -3.261 320 1HG1 ILE 44 1HG1 ILE 44 -10.103 -5.621 -2.338 321 2HG1 ILE 44 2HG1 ILE 44 -8.917 -6.523 -3.276 322 1HG2 ILE 44 1HG2 ILE 44 -9.751 -3.222 -1.846 323 2HG2 ILE 44 2HG2 ILE 44 -8.129 -3.496 -1.178 324 3HG2 ILE 44 3HG2 ILE 44 -8.336 -2.341 -2.474 325 1HD1 ILE 44 1HD1 ILE 44 -8.656 -7.169 -0.967 326 2HD1 ILE 44 2HD1 ILE 44 -8.633 -5.500 -0.429 327 3HD1 ILE 44 3HD1 ILE 44 -7.262 -6.149 -1.372 328 H ALA 45 H ALA 45 -7.102 -2.922 -5.436 329 HA ALA 45 HA ALA 45 -7.799 -0.231 -5.082 330 1HB ALA 45 1HB ALA 45 -6.259 -1.310 -7.485 331 2HB ALA 45 2HB ALA 45 -6.161 0.279 -6.736 332 3HB ALA 45 3HB ALA 45 -5.580 -1.168 -5.855 333 H GLY 46 H GLY 46 -8.494 -2.409 -7.883 334 1HA GLY 46 2HA GLY 46 -9.855 -0.571 -9.528 335 2HA GLY 46 1HA GLY 46 -10.182 -2.312 -9.440 336 H GLU 47 HN GLU 47 -11.184 -2.752 -7.005 337 HA GLU 47 HA GLU 47 -13.889 -1.957 -7.261 338 1HB GLU 47 2HB GLU 47 -12.349 -3.216 -4.961 339 2HB GLU 47 1HB GLU 47 -14.109 -3.033 -4.980 340 1HG GLU 47 1HG GLU 47 -14.285 -4.407 -6.996 341 2HG GLU 47 2HG GLU 47 -12.535 -4.572 -7.099 342 H TYR 48 H TYR 48 -11.464 -0.783 -4.915 343 HA TYR 48 HA TYR 48 -13.453 1.185 -3.839 344 1HB TYR 48 1HB TYR 48 -10.759 0.249 -2.765 345 2HB TYR 48 2HB TYR 48 -11.823 1.407 -1.989 346 HD1 TYR 48 HD1 TYR 48 -13.737 0.757 -0.709 347 HD2 TYR 48 HD2 TYR 48 -11.553 -2.198 -2.955 348 HE1 TYR 48 HE1 TYR 48 -15.254 -0.995 0.119 349 HE2 TYR 48 HE2 TYR 48 -13.114 -3.945 -2.181 350 HH TYR 48 HH TYR 48 -15.787 -3.262 0.080 351 H LYS 49 HN LYS 49 -11.410 1.336 -6.323 352 HA LYS 49 HA LYS 49 -9.559 3.161 -6.287 353 1HB LYS 49 1HB LYS 49 -10.643 2.028 -8.251 354 2HB LYS 49 2HB LYS 49 -11.862 3.301 -8.291 355 1HG LYS 49 2HG LYS 49 -9.912 4.949 -8.568 356 2HG LYS 49 1HG LYS 49 -8.858 3.538 -8.740 357 1HD LYS 49 2HD LYS 49 -11.215 4.323 -10.535 358 2HD LYS 49 1HD LYS 49 -9.496 4.435 -10.914 359 1HE LYS 49 2HE LYS 49 -10.106 2.515 -12.050 360 2HE LYS 49 1HE LYS 49 -9.436 1.841 -10.558 361 1HZ LYS 49 1HZ LYS 49 -12.300 2.303 -11.101 362 2HZ LYS 49 2HZ LYS 49 -11.687 1.519 -9.788 363 3HZ LYS 49 3HZ LYS 49 -11.529 0.859 -11.277 364 H ASP 50 HN ASP 50 -12.922 4.203 -6.686 365 HA ASP 50 HA ASP 50 -12.859 6.888 -6.753 366 1HB ASP 50 1HB ASP 50 -14.728 5.136 -5.086 367 2HB ASP 50 2HB ASP 50 -15.045 6.814 -5.527 368 H LYS 51 HN LYS 51 -12.531 5.013 -3.771 369 HA LYS 51 HA LYS 51 -12.264 7.517 -2.144 370 1HB LYS 51 1HB LYS 51 -12.398 4.820 -0.873 371 2HB LYS 51 2HB LYS 51 -13.086 6.352 -0.356 372 1HG LYS 51 1HG LYS 51 -14.812 6.038 -2.261 373 2HG LYS 51 2HG LYS 51 -14.128 4.407 -2.466 374 1HD LYS 51 1HD LYS 51 -14.594 4.061 0.054 375 2HD LYS 51 2HD LYS 51 -15.555 5.546 -0.050 376 1HE LYS 51 2HE LYS 51 -17.161 3.842 -0.429 377 2HE LYS 51 1HE LYS 51 -16.754 4.360 -2.070 378 1HZ LYS 51 1HZ LYS 51 -15.758 2.015 -0.598 379 2HZ LYS 51 2HZ LYS 51 -15.167 2.475 -2.074 380 3HZ LYS 51 3HZ LYS 51 -16.743 2.011 -1.914 381 H LEU 52 H LEU 52 -10.312 5.104 -3.644 382 HA LEU 52 HA LEU 52 -8.130 5.532 -1.676 383 1HB LEU 52 1HB LEU 52 -9.809 3.628 -1.066 384 2HB LEU 52 2HB LEU 52 -9.173 2.783 -2.463 385 HG LEU 52 HG LEU 52 -6.858 2.951 -1.357 386 1HD1 LEU 52 1HD1 LEU 52 -8.647 3.962 0.903 387 2HD1 LEU 52 2HD1 LEU 52 -7.244 4.795 0.205 388 3HD1 LEU 52 3HD1 LEU 52 -7.015 3.335 1.172 389 1HD2 LEU 52 1HD2 LEU 52 -9.172 1.536 0.046 390 2HD2 LEU 52 2HD2 LEU 52 -8.219 0.904 -1.313 391 3HD2 LEU 52 3HD2 LEU 52 -7.467 1.122 0.275 392 H LYS 53 HN LYS 53 -6.369 6.053 -2.922 393 HA LYS 53 HA LYS 53 -6.069 4.872 -5.609 394 1HB LYS 53 2HB LYS 53 -4.959 7.130 -4.104 395 2HB LYS 53 1HB LYS 53 -3.649 6.124 -4.718 396 1HG LYS 53 1HG LYS 53 -5.886 7.150 -6.490 397 2HG LYS 53 2HG LYS 53 -4.321 7.950 -6.261 398 1HD LYS 53 2HD LYS 53 -3.144 5.870 -7.023 399 2HD LYS 53 1HD LYS 53 -4.715 5.125 -7.377 400 1HE LYS 53 2HE LYS 53 -5.222 6.948 -8.986 401 2HE LYS 53 1HE LYS 53 -3.640 7.680 -8.650 402 1HZ LYS 53 1HZ LYS 53 -3.598 6.335 -10.609 403 2HZ LYS 53 2HZ LYS 53 -2.614 5.682 -9.461 404 3HZ LYS 53 3HZ LYS 53 -4.082 5.001 -9.772 405 H CYS 54 H CYS 54 -3.978 3.504 -5.975 406 HA CYS 54 HA CYS 54 -3.081 2.204 -3.494 407 1HB CYS 54 1HB CYS 54 -5.112 0.920 -4.359 408 2HB CYS 54 2HB CYS 54 -4.132 0.594 -5.824 409 HG CYS 54 HG CYS 54 -3.440 -0.021 -2.656 410 H VAL 55 H VAL 55 -1.080 1.167 -3.653 411 HA VAL 55 HA VAL 55 0.383 1.400 -6.114 412 HB VAL 55 HB VAL 55 1.697 3.058 -4.009 413 1HG1 VAL 55 1HG1 VAL 55 -0.570 4.396 -5.545 414 2HG1 VAL 55 2HG1 VAL 55 0.581 5.136 -4.437 415 3HG1 VAL 55 3HG1 VAL 55 -0.628 4.028 -3.807 416 1HG2 VAL 55 1HG2 VAL 55 1.163 3.488 -6.981 417 2HG2 VAL 55 2HG2 VAL 55 2.594 2.675 -6.314 418 3HG2 VAL 55 3HG2 VAL 55 2.291 4.390 -5.959 419 H LYS 56 HN LYS 56 2.570 0.568 -5.883 420 HA LYS 56 HA LYS 56 2.960 -1.076 -3.418 421 1HB LYS 56 2HB LYS 56 3.385 -1.730 -6.360 422 2HB LYS 56 1HB LYS 56 3.732 -2.810 -4.998 423 1HG LYS 56 2HG LYS 56 1.340 -2.575 -4.252 424 2HG LYS 56 1HG LYS 56 0.984 -1.739 -5.769 425 1HD LYS 56 1HD LYS 56 2.208 -4.515 -5.617 426 2HD LYS 56 2HD LYS 56 0.464 -4.191 -5.693 427 1HE LYS 56 2HE LYS 56 0.848 -2.874 -7.830 428 2HE LYS 56 1HE LYS 56 2.535 -3.413 -7.796 429 1HZ LYS 56 1HZ LYS 56 1.686 -5.686 -7.838 430 2HZ LYS 56 2HZ LYS 56 1.255 -4.826 -9.174 431 3HZ LYS 56 3HZ LYS 56 0.142 -5.117 -7.999 432 H LEU 57 H LEU 57 4.706 -0.506 -2.333 433 HA LEU 57 HA LEU 57 6.850 1.087 -3.671 434 1HB LEU 57 1HB LEU 57 5.908 2.051 -1.699 435 2HB LEU 57 2HB LEU 57 6.288 0.603 -0.730 436 HG LEU 57 HG LEU 57 7.630 2.581 -0.292 437 1HD1 LEU 57 1HD1 LEU 57 8.958 2.080 -2.964 438 2HD1 LEU 57 2HD1 LEU 57 7.775 3.377 -2.685 439 3HD1 LEU 57 3HD1 LEU 57 9.302 3.380 -1.797 440 1HD2 LEU 57 1HD2 LEU 57 8.424 0.174 0.091 441 2HD2 LEU 57 2HD2 LEU 57 9.436 0.402 -1.328 442 3HD2 LEU 57 3HD2 LEU 57 9.652 1.454 0.076 443 H ASN 58 H ASN 58 8.565 0.046 -4.457 444 HA ASN 58 HA ASN 58 9.063 -2.737 -3.683 445 1HB ASN 58 1HB ASN 58 9.497 -1.945 -5.977 446 2HB ASN 58 2HB ASN 58 10.796 -0.909 -5.372 447 1HD2 ASN 58 2HD2 ASN 58 10.160 -3.946 -6.664 448 2HD2 ASN 58 1HD2 ASN 58 11.633 -4.745 -6.137 449 H THR 59 H THR 59 9.678 -2.990 -1.705 450 HA THR 59 HA THR 59 10.964 -1.177 0.049 451 HB THR 59 HB THR 59 10.792 -4.229 0.092 452 HG1 THR 59 HG1 THR 59 8.786 -3.425 -0.045 453 1HG2 THR 59 1HG2 THR 59 12.393 -3.524 1.735 454 2HG2 THR 59 2HG2 THR 59 11.314 -2.225 2.302 455 3HG2 THR 59 3HG2 THR 59 10.882 -3.942 2.553 456 H ASP 60 HN ASP 60 12.263 -3.654 -2.089 457 HA ASP 60 HA ASP 60 14.840 -3.917 -0.766 458 1HB ASP 60 2HB ASP 60 13.563 -5.686 -1.869 459 2HB ASP 60 1HB ASP 60 13.634 -4.830 -3.389 460 H GLU 61 HN GLU 61 13.499 -2.243 -3.560 461 HA GLU 61 HA GLU 61 16.014 -0.965 -4.343 462 1HB GLU 61 2HB GLU 61 14.304 -1.750 -5.970 463 2HB GLU 61 1HB GLU 61 13.124 -0.644 -5.253 464 1HG GLU 61 1HG GLU 61 14.014 0.258 -7.332 465 2HG GLU 61 2HG GLU 61 14.447 1.306 -5.984 466 H SER 62 H SER 62 13.185 -0.195 -2.382 467 HA SER 62 HA SER 62 14.105 2.600 -1.937 468 1HB SER 62 2HB SER 62 11.998 2.209 -3.337 469 2HB SER 62 1HB SER 62 11.198 1.663 -1.856 470 HG SER 62 HG SER 62 11.694 3.638 -0.923 471 HA PRO 63 HA PRO 63 13.875 -0.115 2.008 472 1HB PRO 63 2HB PRO 63 16.465 0.326 2.839 473 2HB PRO 63 1HB PRO 63 15.973 -0.954 1.703 474 1HG PRO 63 2HG PRO 63 17.194 1.680 0.942 475 2HG PRO 63 1HG PRO 63 17.643 0.042 0.402 476 1HD PRO 63 1HD PRO 63 15.954 1.592 -1.061 477 2HD PRO 63 2HD PRO 63 15.714 -0.180 -0.934 478 H ASN 64 H ASN 64 15.522 2.729 1.136 479 HA ASN 64 HA ASN 64 15.807 4.505 3.134 480 1HB ASN 64 2HB ASN 64 14.331 5.024 0.512 481 2HB ASN 64 1HB ASN 64 14.735 6.298 1.670 482 1HD2 ASN 64 2HD2 ASN 64 15.820 7.099 -0.321 483 2HD2 ASN 64 1HD2 ASN 64 17.493 6.586 -0.605 484 H VAL 65 H VAL 65 12.658 4.700 1.544 485 HA VAL 65 HA VAL 65 11.279 6.073 3.547 486 HB VAL 65 HB VAL 65 10.361 4.160 1.347 487 1HG1 VAL 65 1HG2 VAL 65 8.569 4.366 2.984 488 2HG1 VAL 65 2HG2 VAL 65 8.723 6.136 2.973 489 3HG1 VAL 65 3HG2 VAL 65 8.172 5.261 1.518 490 1HG2 VAL 65 1HG1 VAL 65 9.852 6.273 0.147 491 2HG2 VAL 65 2HG1 VAL 65 11.580 6.155 0.525 492 3HG2 VAL 65 3HG1 VAL 65 10.531 7.205 1.498 493 H ALA 66 H ALA 66 11.471 2.614 2.892 494 HA ALA 66 HA ALA 66 9.675 1.772 4.983 495 1HB ALA 66 1HB ALA 66 11.970 0.144 3.854 496 2HB ALA 66 2HB ALA 66 10.478 -0.435 4.616 497 3HB ALA 66 3HB ALA 66 10.407 0.373 3.035 498 H SER 67 H SER 67 13.096 2.666 5.047 499 HA SER 67 HA SER 67 13.601 1.536 7.694 500 1HB SER 67 2HB SER 67 15.258 3.522 6.075 501 2HB SER 67 1HB SER 67 15.784 2.559 7.464 502 HG SER 67 HG SER 67 14.806 1.491 5.012 503 H GLU 68 HN GLU 68 12.959 4.712 6.239 504 HA GLU 68 HA GLU 68 13.076 6.315 8.602 505 1HB GLU 68 2HB GLU 68 11.361 6.553 6.088 506 2HB GLU 68 1HB GLU 68 11.466 7.795 7.331 507 1HG GLU 68 1HG GLU 68 13.781 8.209 6.893 508 2HG GLU 68 2HG GLU 68 13.963 6.740 5.933 509 H TYR 69 H TYR 69 10.443 4.428 7.116 510 HA TYR 69 HA TYR 69 8.574 4.919 9.295 511 1HB TYR 69 1HB TYR 69 8.665 3.218 6.793 512 2HB TYR 69 2HB TYR 69 7.487 2.837 8.013 513 HD1 TYR 69 HD1 TYR 69 6.121 4.935 8.997 514 HD2 TYR 69 HD2 TYR 69 7.953 4.730 5.109 515 HE1 TYR 69 HE1 TYR 69 4.808 6.906 8.278 516 HE2 TYR 69 HE2 TYR 69 6.608 6.689 4.373 517 HH TYR 69 HH TYR 69 4.503 8.474 6.631 518 H GLY 70 H GLY 70 10.944 2.384 8.557 519 1HA GLY 70 2HA GLY 70 12.007 0.996 10.055 520 2HA GLY 70 1HA GLY 70 10.941 1.545 11.357 521 H ILE 71 H ILE 71 10.272 0.073 8.139 522 HA ILE 71 HA ILE 71 8.973 -2.295 9.397 523 HB ILE 71 HB ILE 71 7.366 -2.014 7.472 524 1HG1 ILE 71 1HG1 ILE 71 8.163 0.897 7.506 525 2HG1 ILE 71 2HG1 ILE 71 8.852 -0.190 6.324 526 1HG2 ILE 71 1HG2 ILE 71 5.944 -0.414 8.785 527 2HG2 ILE 71 2HG2 ILE 71 6.791 -1.540 9.849 528 3HG2 ILE 71 3HG2 ILE 71 7.372 0.126 9.668 529 1HD1 ILE 71 1HD1 ILE 71 6.690 -0.754 5.408 530 2HD1 ILE 71 2HD1 ILE 71 6.922 1.007 5.418 531 3HD1 ILE 71 3HD1 ILE 71 5.871 0.250 6.617 532 H ARG 72 HN ARG 72 11.157 -3.277 8.941 533 HA ARG 72 HA ARG 72 11.887 -3.544 6.137 534 1HB ARG 72 1HB ARG 72 13.666 -4.850 6.846 535 2HB ARG 72 2HB ARG 72 13.515 -3.568 8.036 536 1HG ARG 72 2HG ARG 72 12.684 -6.500 8.362 537 2HG ARG 72 1HG ARG 72 14.124 -5.731 9.011 538 1HD ARG 72 1HD ARG 72 11.267 -5.245 9.874 539 2HD ARG 72 2HD ARG 72 12.562 -5.983 10.797 540 HE ARG 72 HE ARG 72 13.757 -3.711 10.500 541 1HH1 ARG 72 2HH1 ARG 72 10.284 -4.150 11.227 542 2HH1 ARG 72 1HH1 ARG 72 10.075 -2.458 11.630 543 1HH2 ARG 72 2HH2 ARG 72 13.474 -1.627 11.402 544 2HH2 ARG 72 1HH2 ARG 72 11.887 -1.130 11.949 545 H SER 73 H SER 73 9.908 -5.421 8.430 546 HA SER 73 HA SER 73 9.794 -7.818 6.863 547 1HB SER 73 2HB SER 73 7.566 -6.920 8.661 548 2HB SER 73 1HB SER 73 8.275 -8.527 8.500 549 HG SER 73 HG SER 73 10.135 -7.739 9.596 550 H ILE 74 H ILE 74 8.067 -8.439 5.444 551 HA ILE 74 HA ILE 74 6.099 -6.456 4.664 552 HB ILE 74 HB ILE 74 6.843 -6.731 2.200 553 1HG1 ILE 74 1HG1 ILE 74 9.548 -7.364 3.394 554 2HG1 ILE 74 2HG1 ILE 74 8.483 -8.556 2.623 555 1HG2 ILE 74 1HG2 ILE 74 8.759 -5.122 3.932 556 2HG2 ILE 74 2HG2 ILE 74 8.162 -4.752 2.310 557 3HG2 ILE 74 3HG2 ILE 74 7.066 -4.646 3.679 558 1HD1 ILE 74 1HD1 ILE 74 9.672 -6.071 1.319 559 2HD1 ILE 74 2HD1 ILE 74 9.993 -7.759 0.930 560 3HD1 ILE 74 3HD1 ILE 74 8.410 -7.083 0.574 561 HA PRO 75 HA PRO 75 4.667 -6.568 2.466 562 1HB PRO 75 1HB PRO 75 1.949 -6.929 2.527 563 2HB PRO 75 2HB PRO 75 3.039 -7.547 1.277 564 1HG PRO 75 1HG PRO 75 1.935 -8.956 3.721 565 2HG PRO 75 2HG PRO 75 2.028 -9.613 2.060 566 1HD PRO 75 1HD PRO 75 3.868 -10.247 4.002 567 2HD PRO 75 2HD PRO 75 4.343 -10.049 2.293 568 H THR 76 H THR 76 4.069 -4.731 3.262 569 HA THR 76 HA THR 76 2.752 -4.501 5.905 570 HB THR 76 HB THR 76 5.361 -3.121 5.172 571 HG1 THR 76 HG1 THR 76 6.022 -4.677 6.436 572 1HG2 THR 76 1HG2 THR 76 3.934 -1.391 6.084 573 2HG2 THR 76 2HG2 THR 76 4.968 -1.965 7.402 574 3HG2 THR 76 3HG2 THR 76 3.281 -2.492 7.315 575 H ILE 77 H ILE 77 0.927 -3.590 5.340 576 HA ILE 77 HA ILE 77 0.730 -1.898 2.924 577 HB ILE 77 HB ILE 77 -1.339 -3.232 4.708 578 1HG1 ILE 77 1HG1 ILE 77 -0.548 -3.742 1.799 579 2HG1 ILE 77 2HG1 ILE 77 -0.035 -4.729 3.171 580 1HG2 ILE 77 1HG2 ILE 77 -2.208 -1.066 3.844 581 2HG2 ILE 77 2HG2 ILE 77 -1.743 -1.549 2.199 582 3HG2 ILE 77 3HG2 ILE 77 -3.021 -2.418 3.079 583 1HD1 ILE 77 1HD1 ILE 77 -1.843 -5.864 2.131 584 2HD1 ILE 77 2HD1 ILE 77 -2.879 -4.433 2.151 585 3HD1 ILE 77 3HD1 ILE 77 -2.436 -5.234 3.680 586 H MET 78 H MET 78 0.240 0.311 3.142 587 HA MET 78 HA MET 78 -0.232 1.382 5.887 588 1HB MET 78 1HB MET 78 1.809 2.412 3.888 589 2HB MET 78 2HB MET 78 1.232 3.305 5.309 590 1HG MET 78 2HG MET 78 1.963 1.350 6.720 591 2HG MET 78 1HG MET 78 2.754 0.692 5.294 592 1HE MET 78 1HE MET 78 3.499 2.491 8.528 593 2HE MET 78 2HE MET 78 5.223 2.319 8.155 594 3HE MET 78 3HE MET 78 4.114 0.949 7.903 595 H VAL 79 H VAL 79 -1.712 2.959 5.960 596 HA VAL 79 HA VAL 79 -3.021 3.690 3.371 597 HB VAL 79 HB VAL 79 -4.131 3.702 6.193 598 1HG1 VAL 79 1HG1 VAL 79 -5.752 2.072 5.263 599 2HG1 VAL 79 2HG1 VAL 79 -4.094 1.465 5.111 600 3HG1 VAL 79 3HG1 VAL 79 -4.925 2.140 3.693 601 1HG2 VAL 79 1HG2 VAL 79 -6.258 4.473 5.085 602 2HG2 VAL 79 2HG2 VAL 79 -5.334 4.749 3.593 603 3HG2 VAL 79 3HG2 VAL 79 -4.991 5.687 5.052 604 H PHE 80 H PHE 80 -3.237 5.830 2.879 605 HA PHE 80 HA PHE 80 -2.249 7.871 4.789 606 1HB PHE 80 2HB PHE 80 -1.686 7.795 1.811 607 2HB PHE 80 1HB PHE 80 -1.370 9.115 2.895 608 HD1 PHE 80 HD1 PHE 80 -0.429 5.482 2.416 609 HD2 PHE 80 HD2 PHE 80 0.755 9.380 3.829 610 HE1 PHE 80 HE1 PHE 80 1.774 4.580 3.097 611 HE2 PHE 80 HE2 PHE 80 2.936 8.463 4.529 612 HZ PHE 80 HZ PHE 80 3.432 6.036 4.229 613 H LYS 81 HN LYS 81 -3.110 9.858 4.403 614 HA LYS 81 HA LYS 81 -5.617 10.130 2.827 615 1HB LYS 81 1HB LYS 81 -6.962 10.739 4.654 616 2HB LYS 81 2HB LYS 81 -6.207 9.205 5.058 617 1HG LYS 81 2HG LYS 81 -5.814 11.920 6.287 618 2HG LYS 81 1HG LYS 81 -6.208 10.381 7.046 619 1HD LYS 81 1HD LYS 81 -3.807 9.630 6.461 620 2HD LYS 81 2HD LYS 81 -3.494 11.316 6.027 621 1HE LYS 81 1HE LYS 81 -4.416 10.290 8.754 622 2HE LYS 81 2HE LYS 81 -2.790 10.844 8.335 623 1HZ LYS 81 1HZ LYS 81 -5.211 12.496 8.313 624 2HZ LYS 81 2HZ LYS 81 -4.001 12.545 9.429 625 3HZ LYS 81 3HZ LYS 81 -3.707 13.005 7.873 626 H GLY 82 H GLY 82 -3.449 11.104 1.918 627 1HA GLY 82 2HA GLY 82 -3.021 13.319 1.027 628 2HA GLY 82 1HA GLY 82 -3.343 13.994 2.645 629 H GLY 83 H GLY 83 -1.162 14.893 2.682 630 1HA GLY 83 2HA GLY 83 1.166 13.223 2.418 631 2HA GLY 83 1HA GLY 83 1.097 14.881 3.012 632 H LYS 84 HN LYS 84 -0.542 12.048 4.412 633 HA LYS 84 HA LYS 84 1.347 11.740 6.578 634 1HB LYS 84 2HB LYS 84 -1.488 12.651 7.187 635 2HB LYS 84 1HB LYS 84 -0.360 12.041 8.384 636 1HG LYS 84 2HG LYS 84 0.058 14.618 6.815 637 2HG LYS 84 1HG LYS 84 -0.594 14.494 8.447 638 1HD LYS 84 1HD LYS 84 1.496 13.438 9.254 639 2HD LYS 84 2HD LYS 84 2.195 13.552 7.629 640 1HE LYS 84 1HE LYS 84 1.958 16.015 7.676 641 2HE LYS 84 2HE LYS 84 1.286 15.923 9.318 642 1HZ LYS 84 1HZ LYS 84 3.966 15.042 8.503 643 2HZ LYS 84 2HZ LYS 84 3.609 16.420 9.333 644 3HZ LYS 84 3HZ LYS 84 3.350 14.950 10.030 645 H LYS 85 HN LYS 85 0.766 9.942 7.868 646 HA LYS 85 HA LYS 85 -0.522 7.799 6.284 647 1HB LYS 85 2HB LYS 85 1.871 7.652 7.249 648 2HB LYS 85 1HB LYS 85 1.092 7.522 8.833 649 1HG LYS 85 1HG LYS 85 -0.263 5.533 7.713 650 2HG LYS 85 2HG LYS 85 0.923 5.676 6.419 651 1HD LYS 85 1HD LYS 85 1.750 3.995 7.820 652 2HD LYS 85 2HD LYS 85 2.719 5.399 8.275 653 1HE LYS 85 1HE LYS 85 1.210 5.760 10.264 654 2HE LYS 85 2HE LYS 85 0.210 4.402 9.745 655 1HZ LYS 85 1HZ LYS 85 3.040 4.218 10.493 656 2HZ LYS 85 2HZ LYS 85 1.760 3.830 11.461 657 3HZ LYS 85 3HZ LYS 85 2.032 2.971 10.080 658 H CYS 86 H CYS 86 -2.206 6.579 7.204 659 HA CYS 86 HA CYS 86 -3.581 7.749 9.603 660 1HB CYS 86 1HB CYS 86 -4.753 7.874 7.356 661 2HB CYS 86 2HB CYS 86 -4.831 6.129 7.343 662 HG CYS 86 HG CYS 86 -5.777 6.249 10.031 663 H GLU 87 HN GLU 87 -3.137 4.691 7.802 664 HA GLU 87 HA GLU 87 -3.164 3.155 10.376 665 1HB GLU 87 1HB GLU 87 -4.665 2.311 7.862 666 2HB GLU 87 2HB GLU 87 -4.664 1.506 9.423 667 1HG GLU 87 1HG GLU 87 -5.830 4.279 8.867 668 2HG GLU 87 2HG GLU 87 -6.744 2.807 8.992 669 H THR 88 H THR 88 -2.487 0.791 9.954 670 HA THR 88 HA THR 88 -0.753 0.302 7.701 671 HB THR 88 HB THR 88 0.325 0.786 10.515 672 HG1 THR 88 HG1 THR 88 0.197 2.292 8.458 673 1HG2 THR 88 1HG2 THR 88 1.370 -1.328 9.758 674 2HG2 THR 88 2HG2 THR 88 2.535 -0.006 9.646 675 3HG2 THR 88 3HG2 THR 88 1.734 -0.602 8.177 676 H ILE 89 H ILE 89 -0.443 -1.942 7.430 677 HA ILE 89 HA ILE 89 -1.375 -3.806 9.533 678 HB ILE 89 HB ILE 89 -2.379 -3.718 6.645 679 1HG1 ILE 89 1HG1 ILE 89 -3.636 -2.223 8.167 680 2HG1 ILE 89 2HG1 ILE 89 -4.567 -3.558 7.511 681 1HG2 ILE 89 1HG2 ILE 89 -3.709 -5.772 7.303 682 2HG2 ILE 89 2HG2 ILE 89 -2.675 -5.911 8.740 683 3HG2 ILE 89 3HG2 ILE 89 -1.980 -6.040 7.111 684 1HD1 ILE 89 1HD1 ILE 89 -4.474 -4.765 9.649 685 2HD1 ILE 89 2HD1 ILE 89 -3.432 -3.505 10.346 686 3HD1 ILE 89 3HD1 ILE 89 -5.094 -3.129 9.888 687 H ILE 90 H ILE 90 -0.443 -5.960 9.148 688 HA ILE 90 HA ILE 90 1.849 -6.007 7.269 689 HB ILE 90 HB ILE 90 2.020 -6.717 10.233 690 1HG1 ILE 90 2HG1 ILE 90 3.184 -4.371 8.669 691 2HG1 ILE 90 1HG1 ILE 90 1.967 -4.283 9.952 692 1HG2 ILE 90 1HG2 ILE 90 4.160 -6.696 8.048 693 2HG2 ILE 90 2HG2 ILE 90 4.421 -7.099 9.759 694 3HG2 ILE 90 3HG2 ILE 90 3.443 -8.154 8.766 695 1HD1 ILE 90 1HD1 ILE 90 3.666 -5.227 11.553 696 2HD1 ILE 90 2HD1 ILE 90 4.893 -4.989 10.279 697 3HD1 ILE 90 3HD1 ILE 90 4.006 -3.604 10.920 698 H GLY 91 H GLY 91 2.242 -8.020 6.441 699 1HA GLY 91 2HA GLY 91 2.196 -10.359 6.402 700 2HA GLY 91 1HA GLY 91 0.878 -10.408 7.577 701 H ALA 92 H ALA 92 1.159 -11.772 4.971 702 HA ALA 92 HA ALA 92 -0.641 -10.563 3.064 703 1HB ALA 92 1HB ALA 92 -0.476 -12.869 2.030 704 2HB ALA 92 2HB ALA 92 1.079 -12.084 2.355 705 3HB ALA 92 3HB ALA 92 0.481 -13.375 3.428 706 H VAL 93 H VAL 93 -2.333 -10.072 4.808 707 HA VAL 93 HA VAL 93 -3.916 -12.324 5.718 708 HB VAL 93 HB VAL 93 -5.441 -10.718 6.631 709 1HG1 VAL 93 1HG2 VAL 93 -5.077 -8.249 6.334 710 2HG1 VAL 93 2HG2 VAL 93 -5.691 -9.082 4.910 711 3HG1 VAL 93 3HG2 VAL 93 -3.979 -8.611 4.985 712 1HG2 VAL 93 1HG1 VAL 93 -3.978 -9.537 8.136 713 2HG2 VAL 93 2HG1 VAL 93 -3.270 -11.124 7.789 714 3HG2 VAL 93 3HG1 VAL 93 -2.612 -9.664 7.020 715 HA PRO 94 HA PRO 94 -6.352 -12.991 2.076 716 1HB PRO 94 2HB PRO 94 -8.714 -13.165 3.968 717 2HB PRO 94 1HB PRO 94 -8.312 -14.250 2.610 718 1HG PRO 94 1HG PRO 94 -7.702 -14.987 5.148 719 2HG PRO 94 2HG PRO 94 -6.486 -15.209 3.853 720 1HD PRO 94 1HD PRO 94 -6.613 -13.017 5.930 721 2HD PRO 94 2HD PRO 94 -5.223 -13.948 5.309 722 H LYS 95 HN LYS 95 -7.943 -12.131 0.695 723 HA LYS 95 HA LYS 95 -8.291 -9.453 0.455 724 1HB LYS 95 1HB LYS 95 -8.866 -11.323 -1.211 725 2HB LYS 95 2HB LYS 95 -10.380 -11.559 -0.354 726 1HG LYS 95 1HG LYS 95 -10.938 -9.117 -0.789 727 2HG LYS 95 2HG LYS 95 -9.487 -9.038 -1.802 728 1HD LYS 95 2HD LYS 95 -10.437 -10.932 -3.184 729 2HD LYS 95 1HD LYS 95 -11.936 -10.798 -2.247 730 1HE LYS 95 1HE LYS 95 -10.646 -8.614 -3.957 731 2HE LYS 95 2HE LYS 95 -12.096 -9.548 -4.370 732 1HZ LYS 95 1HZ LYS 95 -12.615 -7.395 -3.534 733 2HZ LYS 95 2HZ LYS 95 -13.197 -8.554 -2.510 734 3HZ LYS 95 3HZ LYS 95 -11.843 -7.696 -2.114 735 H ALA 96 H ALA 96 -10.635 -11.717 1.870 736 HA ALA 96 HA ALA 96 -12.718 -9.989 2.545 737 1HB ALA 96 1HB ALA 96 -11.664 -12.349 4.176 738 2HB ALA 96 2HB ALA 96 -13.272 -11.610 4.334 739 3HB ALA 96 3HB ALA 96 -12.821 -12.437 2.830 740 H THR 97 H THR 97 -9.798 -10.736 4.560 741 HA THR 97 HA THR 97 -10.511 -8.997 6.692 742 HB THR 97 HB THR 97 -7.644 -9.261 6.453 743 HG1 THR 97 HG1 THR 97 -7.898 -10.926 5.034 744 1HG2 THR 97 1HG2 THR 97 -9.665 -10.811 8.125 745 2HG2 THR 97 2HG2 THR 97 -8.933 -9.247 8.564 746 3HG2 THR 97 3HG2 THR 97 -7.919 -10.698 8.425 747 H ILE 98 H ILE 98 -8.392 -8.557 3.786 748 HA ILE 98 HA ILE 98 -7.542 -5.925 4.415 749 HB ILE 98 HB ILE 98 -8.040 -7.147 1.652 750 1HG1 ILE 98 2HG1 ILE 98 -5.519 -6.989 3.362 751 2HG1 ILE 98 1HG1 ILE 98 -6.447 -8.439 2.954 752 1HG2 ILE 98 1HG2 ILE 98 -6.347 -4.736 2.518 753 2HG2 ILE 98 2HG2 ILE 98 -6.495 -5.349 0.863 754 3HG2 ILE 98 3HG2 ILE 98 -7.880 -4.610 1.641 755 1HD1 ILE 98 1HD1 ILE 98 -4.562 -8.446 1.542 756 2HD1 ILE 98 2HD1 ILE 98 -5.961 -8.044 0.529 757 3HD1 ILE 98 3HD1 ILE 98 -4.812 -6.776 1.030 758 H VAL 99 H VAL 99 -10.348 -6.951 2.425 759 HA VAL 99 HA VAL 99 -11.422 -4.428 1.841 760 HB VAL 99 HB VAL 99 -12.672 -7.186 2.195 761 1HG1 VAL 99 1HG1 VAL 99 -14.645 -6.189 0.924 762 2HG1 VAL 99 2HG1 VAL 99 -13.992 -4.590 1.345 763 3HG1 VAL 99 3HG1 VAL 99 -14.524 -5.708 2.618 764 1HG2 VAL 99 1HG2 VAL 99 -11.098 -6.794 0.266 765 2HG2 VAL 99 2HG2 VAL 99 -12.137 -5.461 -0.268 766 3HG2 VAL 99 3HG2 VAL 99 -12.763 -7.123 -0.244 767 H GLN 100 H GLN 100 -12.366 -6.611 4.582 768 HA GLN 100 HA GLN 100 -14.177 -4.786 5.778 769 1HB GLN 100 1HB GLN 100 -12.407 -6.978 6.923 770 2HB GLN 100 2HB GLN 100 -13.563 -6.076 7.916 771 1HG GLN 100 1HG GLN 100 -15.437 -6.780 6.618 772 2HG GLN 100 2HG GLN 100 -14.421 -7.494 5.361 773 1HE2 GLN 100 1HE2 GLN 100 -12.904 -9.225 6.091 774 2HE2 GLN 100 2HE2 GLN 100 -13.506 -10.391 7.283 775 H THR 101 H THR 101 -10.672 -5.212 6.310 776 HA THR 101 HA THR 101 -10.342 -3.286 8.354 777 HB THR 101 HB THR 101 -8.353 -4.208 6.247 778 HG1 THR 101 HG1 THR 101 -9.158 -5.898 7.466 779 1HG2 THR 101 1HG2 THR 101 -6.725 -3.661 8.084 780 2HG2 THR 101 2HG2 THR 101 -8.021 -2.801 8.930 781 3HG2 THR 101 3HG2 THR 101 -7.469 -2.243 7.328 782 H VAL 102 H VAL 102 -10.191 -2.872 4.749 783 HA VAL 102 HA VAL 102 -9.578 -0.066 4.854 784 HB VAL 102 HB VAL 102 -10.905 -1.854 2.774 785 1HG1 VAL 102 1HG1 VAL 102 -8.778 -1.565 1.596 786 2HG1 VAL 102 2HG1 VAL 102 -8.449 -2.157 3.233 787 3HG1 VAL 102 3HG1 VAL 102 -8.209 -0.444 2.851 788 1HG2 VAL 102 1HG2 VAL 102 -11.814 0.391 2.363 789 2HG2 VAL 102 2HG2 VAL 102 -10.184 1.093 2.484 790 3HG2 VAL 102 3HG2 VAL 102 -10.602 -0.011 1.153 791 H GLU 103 HN GLU 103 -12.667 -1.775 4.409 792 HA GLU 103 HA GLU 103 -14.341 0.436 4.266 793 1HB GLU 103 2HB GLU 103 -14.786 -2.400 5.279 794 2HB GLU 103 1HB GLU 103 -16.106 -1.237 5.074 795 1HG GLU 103 1HG GLU 103 -15.605 -0.929 2.731 796 2HG GLU 103 2HG GLU 103 -14.197 -1.985 2.808 797 H LYS 104 HN LYS 104 -13.401 -1.299 7.248 798 HA LYS 104 HA LYS 104 -15.072 0.270 8.958 799 1HB LYS 104 1HB LYS 104 -13.618 -0.359 10.808 800 2HB LYS 104 2HB LYS 104 -14.022 -1.757 9.805 801 1HG LYS 104 2HG LYS 104 -11.869 -1.912 8.947 802 2HG LYS 104 1HG LYS 104 -11.432 -0.255 9.310 803 1HD LYS 104 1HD LYS 104 -10.212 -1.652 10.771 804 2HD LYS 104 2HD LYS 104 -11.355 -0.660 11.677 805 1HE LYS 104 1HE LYS 104 -11.310 -2.982 12.549 806 2HE LYS 104 2HE LYS 104 -12.906 -2.600 11.889 807 1HZ LYS 104 1HZ LYS 104 -12.137 -4.751 11.208 808 2HZ LYS 104 2HZ LYS 104 -12.294 -3.766 9.897 809 3HZ LYS 104 3HZ LYS 104 -10.796 -4.105 10.499 810 H TYR 105 H TYR 105 -11.965 1.119 7.448 811 HA TYR 105 HA TYR 105 -11.537 3.403 9.262 812 1HB TYR 105 1HB TYR 105 -10.172 2.886 6.600 813 2HB TYR 105 2HB TYR 105 -9.624 3.852 7.970 814 HD1 TYR 105 HD1 TYR 105 -8.290 1.560 6.277 815 HD2 TYR 105 HD2 TYR 105 -9.985 1.918 10.217 816 HE1 TYR 105 HE1 TYR 105 -6.536 0.041 7.171 817 HE2 TYR 105 HE2 TYR 105 -8.259 0.373 11.107 818 HH TYR 105 HH TYR 105 -6.290 -0.734 10.644 819 H LEU 106 H LEU 106 -12.434 2.718 5.904 820 HA LEU 106 HA LEU 106 -13.404 5.529 5.515 821 1HB LEU 106 1HB LEU 106 -12.006 3.550 3.669 822 2HB LEU 106 2HB LEU 106 -12.739 5.051 3.112 823 HG LEU 106 HG LEU 106 -10.496 4.914 5.175 824 1HD1 LEU 106 1HD2 LEU 106 -10.206 7.322 4.579 825 2HD1 LEU 106 2HD2 LEU 106 -11.679 7.242 3.591 826 3HD1 LEU 106 3HD2 LEU 106 -11.762 7.016 5.353 827 1HD2 LEU 106 1HD1 LEU 106 -9.022 5.609 3.330 828 2HD2 LEU 106 2HD1 LEU 106 -10.379 5.485 2.187 829 3HD2 LEU 106 3HD1 LEU 106 -9.765 4.032 3.010 830 H ASN 107 H ASN 107 -13.888 3.024 3.103 831 HA ASN 107 HA ASN 107 -16.314 1.925 3.798 832 1HB ASN 107 2HB ASN 107 -16.999 4.453 3.472 833 2HB ASN 107 1HB ASN 107 -16.631 4.189 1.780 834 1HD2 ASN 107 1HD2 ASN 107 -17.735 1.630 1.344 835 2HD2 ASN 107 2HD2 ASN 107 -19.480 1.709 1.647 Start of MODEL 25 1 1H MET 1 1H MET 1 -0.073 -3.606 -11.899 2 2H MET 1 2H MET 1 -1.274 -3.919 -10.790 3 3H MET 1 3H MET 1 -0.804 -2.385 -11.016 4 HA MET 1 HA MET 1 -1.701 -2.357 -13.209 5 1HB MET 1 1HB MET 1 -1.370 -4.673 -13.865 6 2HB MET 1 2HB MET 1 -2.370 -5.264 -12.529 7 1HG MET 1 1HG MET 1 -3.538 -5.284 -14.765 8 2HG MET 1 2HG MET 1 -4.372 -4.430 -13.503 9 1HE MET 1 1HE MET 1 -1.312 -3.145 -15.763 10 2HE MET 1 2HE MET 1 -2.258 -2.428 -17.085 11 3HE MET 1 3HE MET 1 -2.335 -4.180 -16.793 12 H GLU 2 HN GLU 2 -3.569 -1.147 -13.027 13 HA GLU 2 HA GLU 2 -5.322 -0.096 -12.059 14 1HB GLU 2 1HB GLU 2 -5.822 -2.527 -10.270 15 2HB GLU 2 2HB GLU 2 -6.892 -1.168 -10.622 16 1HG GLU 2 1HG GLU 2 -6.820 -1.922 -13.080 17 2HG GLU 2 2HG GLU 2 -6.011 -3.384 -12.502 18 H ALA 3 H ALA 3 -3.832 -2.028 -9.472 19 HA ALA 3 HA ALA 3 -3.225 0.273 -7.801 20 1HB ALA 3 1HB ALA 3 -2.080 -2.550 -7.844 21 2HB ALA 3 2HB ALA 3 -3.434 -2.037 -6.837 22 3HB ALA 3 3HB ALA 3 -1.825 -1.354 -6.550 23 H GLY 4 H GLY 4 -1.326 1.590 -8.052 24 1HA GLY 4 2HA GLY 4 0.292 1.092 -10.456 25 2HA GLY 4 1HA GLY 4 0.387 2.461 -9.345 26 H ALA 5 H ALA 5 2.716 1.611 -10.147 27 HA ALA 5 HA ALA 5 3.922 0.055 -7.907 28 1HB ALA 5 1HB ALA 5 4.266 -1.093 -10.056 29 2HB ALA 5 2HB ALA 5 5.786 -0.398 -9.454 30 3HB ALA 5 3HB ALA 5 4.904 0.406 -10.771 31 H VAL 6 H VAL 6 5.264 1.395 -6.652 32 HA VAL 6 HA VAL 6 6.013 4.061 -7.762 33 HB VAL 6 HB VAL 6 5.353 5.198 -5.833 34 1HG1 VAL 6 1HG2 VAL 6 6.076 3.733 -4.030 35 2HG1 VAL 6 2HG2 VAL 6 4.377 4.148 -3.804 36 3HG1 VAL 6 3HG2 VAL 6 4.795 2.555 -4.451 37 1HG2 VAL 6 1HG1 VAL 6 2.981 4.774 -5.545 38 2HG2 VAL 6 2HG1 VAL 6 3.167 3.127 -6.158 39 3HG2 VAL 6 3HG1 VAL 6 3.389 4.511 -7.258 40 H ASN 7 H ASN 7 7.716 5.046 -6.651 41 HA ASN 7 HA ASN 7 9.578 3.431 -5.030 42 1HB ASN 7 1HB ASN 7 10.137 4.840 -7.687 43 2HB ASN 7 2HB ASN 7 11.430 4.542 -6.540 44 1HD2 ASN 7 2HD2 ASN 7 11.538 2.252 -5.635 45 2HD2 ASN 7 1HD2 ASN 7 11.348 0.961 -6.841 46 H ASP 8 HN ASP 8 11.376 5.083 -4.371 47 HA ASP 8 HA ASP 8 10.289 6.890 -2.585 48 1HB ASP 8 2HB ASP 8 12.676 6.035 -2.740 49 2HB ASP 8 1HB ASP 8 12.997 7.260 -3.960 50 H ASP 9 HN ASP 9 11.747 7.775 -5.696 51 HA ASP 9 HA ASP 9 11.323 10.472 -5.826 52 1HB ASP 9 2HB ASP 9 10.935 8.483 -8.119 53 2HB ASP 9 1HB ASP 9 11.355 10.193 -8.257 54 H THR 10 H THR 10 8.981 7.972 -6.935 55 HA THR 10 HA THR 10 6.938 9.911 -7.600 56 HB THR 10 HB THR 10 5.606 7.708 -7.834 57 HG1 THR 10 HG1 THR 10 7.387 6.736 -6.391 58 1HG2 THR 10 1HG2 THR 10 8.225 8.031 -9.380 59 2HG2 THR 10 2HG2 THR 10 6.687 8.834 -9.765 60 3HG2 THR 10 3HG2 THR 10 6.824 7.069 -9.889 61 H PHE 11 H PHE 11 7.614 7.846 -4.786 62 HA PHE 11 HA PHE 11 5.239 7.582 -3.451 63 1HB PHE 11 2HB PHE 11 7.455 6.721 -2.750 64 2HB PHE 11 1HB PHE 11 7.966 8.332 -2.323 65 HD1 PHE 11 HD1 PHE 11 7.725 9.190 -0.175 66 HD2 PHE 11 HD2 PHE 11 5.515 5.690 -1.377 67 HE1 PHE 11 HE1 PHE 11 7.045 8.836 2.150 68 HE2 PHE 11 HE2 PHE 11 4.702 5.422 0.953 69 HZ PHE 11 HZ PHE 11 5.486 6.962 2.730 70 H LYS 12 HN LYS 12 7.432 10.256 -3.404 71 HA LYS 12 HA LYS 12 6.220 12.042 -1.626 72 1HB LYS 12 1HB LYS 12 8.011 12.278 -4.045 73 2HB LYS 12 2HB LYS 12 7.163 13.716 -3.515 74 1HG LYS 12 2HG LYS 12 9.306 13.637 -2.377 75 2HG LYS 12 1HG LYS 12 8.053 13.292 -1.165 76 1HD LYS 12 1HD LYS 12 8.534 10.796 -1.587 77 2HD LYS 12 2HD LYS 12 9.969 11.309 -2.470 78 1HE LYS 12 1HE LYS 12 9.280 11.991 0.442 79 2HE LYS 12 2HE LYS 12 10.344 10.677 -0.069 80 1HZ LYS 12 1HZ LYS 12 10.805 13.527 -0.609 81 2HZ LYS 12 2HZ LYS 12 11.783 12.284 -1.079 82 3HZ LYS 12 3HZ LYS 12 11.583 12.614 0.522 83 H ASN 13 H ASN 13 5.518 11.699 -5.102 84 HA ASN 13 HA ASN 13 3.467 13.848 -5.057 85 1HB ASN 13 2HB ASN 13 4.744 12.034 -7.112 86 2HB ASN 13 1HB ASN 13 3.100 12.558 -7.422 87 1HD2 ASN 13 2HD2 ASN 13 5.982 14.209 -5.944 88 2HD2 ASN 13 1HD2 ASN 13 5.951 15.557 -7.072 89 H VAL 14 H VAL 14 3.689 10.410 -5.508 90 HA VAL 14 HA VAL 14 0.858 10.024 -6.046 91 HB VAL 14 HB VAL 14 3.108 8.030 -5.497 92 1HG1 VAL 14 1HG1 VAL 14 1.885 9.054 -8.103 93 2HG1 VAL 14 2HG1 VAL 14 3.509 9.446 -7.513 94 3HG1 VAL 14 3HG1 VAL 14 3.118 7.787 -7.972 95 1HG2 VAL 14 1HG2 VAL 14 0.979 6.868 -5.180 96 2HG2 VAL 14 2HG2 VAL 14 1.645 6.424 -6.757 97 3HG2 VAL 14 3HG2 VAL 14 0.324 7.598 -6.665 98 H VAL 15 H VAL 15 2.844 9.684 -3.131 99 HA VAL 15 HA VAL 15 0.482 8.640 -1.642 100 HB VAL 15 HB VAL 15 3.410 8.421 -0.876 101 1HG1 VAL 15 1HG1 VAL 15 1.774 8.254 0.946 102 2HG1 VAL 15 2HG1 VAL 15 2.598 6.726 0.656 103 3HG1 VAL 15 3HG1 VAL 15 0.934 6.953 0.077 104 1HG2 VAL 15 1HG2 VAL 15 3.276 6.095 -1.685 105 2HG2 VAL 15 2HG2 VAL 15 1.679 6.424 -2.382 106 3HG2 VAL 15 3HG2 VAL 15 3.116 7.238 -3.009 107 H LEU 16 H LEU 16 3.385 10.727 -1.077 108 HA LEU 16 HA LEU 16 2.209 11.746 1.348 109 1HB LEU 16 1HB LEU 16 4.486 12.968 -0.269 110 2HB LEU 16 2HB LEU 16 4.049 13.362 1.378 111 HG LEU 16 HG LEU 16 5.156 10.711 0.363 112 1HD1 LEU 16 1HD2 LEU 16 7.081 11.305 1.757 113 2HD1 LEU 16 2HD2 LEU 16 6.747 12.632 0.631 114 3HD1 LEU 16 3HD2 LEU 16 6.258 12.771 2.328 115 1HD2 LEU 16 1HD1 LEU 16 4.200 11.493 3.149 116 2HD2 LEU 16 2HD1 LEU 16 5.246 10.110 2.824 117 3HD2 LEU 16 3HD1 LEU 16 3.616 10.137 2.147 118 H GLU 17 HN GLU 17 2.953 13.730 -1.568 119 HA GLU 17 HA GLU 17 0.880 15.655 -0.755 120 1HB GLU 17 2HB GLU 17 3.236 16.232 -1.611 121 2HB GLU 17 1HB GLU 17 2.693 15.692 -3.204 122 1HG GLU 17 1HG GLU 17 2.495 18.102 -3.065 123 2HG GLU 17 2HG GLU 17 0.859 17.439 -3.092 124 H SER 18 H SER 18 -0.516 13.527 -1.056 125 HA SER 18 HA SER 18 -1.370 13.061 -3.847 126 1HB SER 18 2HB SER 18 -2.698 11.231 -2.720 127 2HB SER 18 1HB SER 18 -0.965 11.165 -2.468 128 HG SER 18 HG SER 18 -1.220 11.442 -0.422 129 H SER 19 H SER 19 -4.183 12.510 -2.414 130 HA SER 19 HA SER 19 -5.266 15.154 -2.029 131 1HB SER 19 2HB SER 19 -6.776 14.991 -4.092 132 2HB SER 19 1HB SER 19 -5.090 15.431 -4.413 133 HG SER 19 HG SER 19 -4.671 13.351 -5.070 134 H VAL 20 H VAL 20 -6.379 12.228 -3.632 135 HA VAL 20 HA VAL 20 -8.449 11.643 -1.608 136 HB VAL 20 HB VAL 20 -8.696 9.513 -2.955 137 1HG1 VAL 20 1HG1 VAL 20 -6.351 9.332 -3.801 138 2HG1 VAL 20 2HG1 VAL 20 -7.586 9.203 -5.057 139 3HG1 VAL 20 3HG1 VAL 20 -6.668 10.704 -4.887 140 1HG2 VAL 20 1HG2 VAL 20 -9.583 10.621 -5.005 141 2HG2 VAL 20 2HG2 VAL 20 -10.112 11.367 -3.490 142 3HG2 VAL 20 3HG2 VAL 20 -8.838 12.133 -4.478 143 HA PRO 21 HA PRO 21 -5.597 9.406 0.915 144 1HB PRO 21 1HB PRO 21 -6.875 7.180 1.867 145 2HB PRO 21 2HB PRO 21 -7.270 8.839 2.397 146 1HG PRO 21 1HG PRO 21 -8.662 7.193 0.283 147 2HG PRO 21 2HG PRO 21 -9.391 8.105 1.628 148 1HD PRO 21 1HD PRO 21 -9.258 9.094 -0.904 149 2HD PRO 21 2HD PRO 21 -9.049 10.186 0.489 150 H VAL 22 H VAL 22 -4.397 7.355 1.040 151 HA VAL 22 HA VAL 22 -4.196 5.933 -1.563 152 HB VAL 22 HB VAL 22 -1.964 7.188 0.074 153 1HG1 VAL 22 1HG2 VAL 22 -0.560 6.659 -1.845 154 2HG1 VAL 22 2HG2 VAL 22 -1.310 5.177 -1.222 155 3HG1 VAL 22 3HG2 VAL 22 -1.918 5.947 -2.690 156 1HG2 VAL 22 1HG1 VAL 22 -3.289 8.203 -2.465 157 2HG2 VAL 22 2HG1 VAL 22 -1.729 8.773 -1.863 158 3HG2 VAL 22 3HG1 VAL 22 -3.173 9.030 -0.899 159 H LEU 23 H LEU 23 -3.387 3.822 -1.389 160 HA LEU 23 HA LEU 23 -2.850 2.722 1.328 161 1HB LEU 23 1HB LEU 23 -5.103 2.159 0.707 162 2HB LEU 23 2HB LEU 23 -4.599 1.479 -0.840 163 HG LEU 23 HG LEU 23 -3.498 0.423 1.799 164 1HD1 LEU 23 1HD2 LEU 23 -3.939 -0.790 -0.981 165 2HD1 LEU 23 2HD2 LEU 23 -2.383 -0.549 -0.158 166 3HD1 LEU 23 3HD2 LEU 23 -3.515 -1.757 0.435 167 1HD2 LEU 23 1HD1 LEU 23 -5.932 0.418 2.042 168 2HD2 LEU 23 2HD1 LEU 23 -5.328 -1.232 1.849 169 3HD2 LEU 23 3HD1 LEU 23 -6.108 -0.415 0.477 170 H VAL 24 H VAL 24 -0.660 2.381 1.169 171 HA VAL 24 HA VAL 24 0.467 1.540 -1.494 172 HB VAL 24 HB VAL 24 2.495 2.351 -0.932 173 1HG1 VAL 24 1HG2 VAL 24 0.896 4.201 -1.316 174 2HG1 VAL 24 2HG2 VAL 24 0.640 4.345 0.441 175 3HG1 VAL 24 3HG2 VAL 24 2.238 4.648 -0.258 176 1HG2 VAL 24 1HG1 VAL 24 3.189 3.162 1.306 177 2HG2 VAL 24 2HG1 VAL 24 2.909 1.423 1.232 178 3HG2 VAL 24 3HG1 VAL 24 1.684 2.484 1.976 179 H ASP 25 HN ASP 25 1.464 -0.478 -1.573 180 HA ASP 25 HA ASP 25 1.638 -2.128 0.925 181 1HB ASP 25 1HB ASP 25 0.170 -3.144 -0.721 182 2HB ASP 25 2HB ASP 25 1.387 -2.928 -1.983 183 H PHE 26 H PHE 26 3.709 -2.084 1.738 184 HA PHE 26 HA PHE 26 5.992 -1.463 -0.062 185 1HB PHE 26 2HB PHE 26 5.725 -2.184 2.885 186 2HB PHE 26 1HB PHE 26 7.268 -2.033 2.067 187 HD1 PHE 26 HD1 PHE 26 4.162 -0.076 2.923 188 HD2 PHE 26 HD2 PHE 26 8.312 0.060 1.746 189 HE1 PHE 26 HE1 PHE 26 4.251 2.321 3.501 190 HE2 PHE 26 HE2 PHE 26 8.417 2.429 2.421 191 HZ PHE 26 HZ PHE 26 6.365 3.589 3.259 192 H TRP 27 H TRP 27 6.650 -3.005 -1.408 193 HA TRP 27 HA TRP 27 6.578 -5.877 -0.450 194 1HB TRP 27 2HB TRP 27 5.892 -6.645 -2.523 195 2HB TRP 27 1HB TRP 27 4.817 -5.311 -2.187 196 HD1 TRP 27 HD1 TRP 27 5.609 -2.967 -3.536 197 HE1 TRP 27 HE1 TRP 27 6.838 -2.625 -5.805 198 HE3 TRP 27 HE3 TRP 27 7.104 -7.774 -4.370 199 HZ2 TRP 27 HZ2 TRP 27 8.472 -4.231 -7.566 200 HZ3 TRP 27 HZ3 TRP 27 8.321 -8.366 -6.422 201 HH2 TRP 27 HH2 TRP 27 8.981 -6.610 -8.054 202 H ALA 28 H ALA 28 7.915 -7.144 -2.302 203 HA ALA 28 HA ALA 28 10.134 -5.868 -3.501 204 1HB ALA 28 1HB ALA 28 10.846 -7.455 -0.999 205 2HB ALA 28 2HB ALA 28 11.043 -5.693 -1.171 206 3HB ALA 28 3HB ALA 28 11.994 -6.796 -2.172 207 HA PRO 29 HA PRO 29 9.845 -9.970 -5.367 208 1HB PRO 29 1HB PRO 29 11.975 -10.059 -6.891 209 2HB PRO 29 2HB PRO 29 10.567 -9.042 -7.356 210 1HG PRO 29 1HG PRO 29 13.154 -8.109 -6.058 211 2HG PRO 29 2HG PRO 29 12.230 -7.308 -7.358 212 1HD PRO 29 2HD PRO 29 11.979 -6.585 -4.690 213 2HD PRO 29 1HD PRO 29 10.625 -6.495 -5.822 214 H TRP 30 H TRP 30 10.240 -11.477 -4.055 215 HA TRP 30 HA TRP 30 11.886 -13.281 -3.384 216 1HB TRP 30 2HB TRP 30 13.366 -12.753 -1.554 217 2HB TRP 30 1HB TRP 30 13.856 -11.875 -2.977 218 HD1 TRP 30 HD1 TRP 30 14.420 -9.407 -2.563 219 HE1 TRP 30 HE1 TRP 30 14.110 -7.696 -0.665 220 HE3 TRP 30 HE3 TRP 30 11.667 -12.243 0.701 221 HZ2 TRP 30 HZ2 TRP 30 12.811 -7.549 1.863 222 HZ3 TRP 30 HZ3 TRP 30 10.826 -11.249 2.801 223 HH2 TRP 30 HH2 TRP 30 11.301 -8.871 3.345 224 H CYS 31 H CYS 31 10.023 -10.589 -2.159 225 HA CYS 31 HA CYS 31 9.267 -11.744 0.384 226 1HB CYS 31 1HB CYS 31 9.155 -9.340 -0.073 227 2HB CYS 31 2HB CYS 31 7.883 -9.640 -1.265 228 H GLY 32 H GLY 32 8.756 -13.871 -0.162 229 1HA GLY 32 1HA GLY 32 6.988 -15.152 -1.613 230 2HA GLY 32 2HA GLY 32 7.048 -15.458 0.126 231 HA PRO 33 HA PRO 33 2.903 -14.121 0.667 232 1HB PRO 33 1HB PRO 33 2.887 -11.926 2.400 233 2HB PRO 33 2HB PRO 33 2.948 -13.649 2.868 234 1HG PRO 33 2HG PRO 33 5.276 -11.740 2.560 235 2HG PRO 33 1HG PRO 33 4.912 -12.859 3.888 236 1HD PRO 33 1HD PRO 33 6.695 -13.429 1.866 237 2HD PRO 33 2HD PRO 33 5.600 -14.722 2.428 238 H CYS 34 H CYS 34 5.012 -11.254 0.173 239 HA CYS 34 HA CYS 34 3.021 -9.472 -0.746 240 1HB CYS 34 1HB CYS 34 5.759 -9.553 -1.949 241 2HB CYS 34 2HB CYS 34 4.611 -8.258 -1.799 242 H ARG 35 HN ARG 35 5.016 -11.918 -2.470 243 HA ARG 35 HA ARG 35 4.298 -11.282 -5.095 244 1HB ARG 35 1HB ARG 35 6.039 -12.915 -4.336 245 2HB ARG 35 2HB ARG 35 4.788 -14.064 -3.923 246 1HG ARG 35 2HG ARG 35 5.857 -14.603 -6.037 247 2HG ARG 35 1HG ARG 35 4.119 -14.372 -6.214 248 1HD ARG 35 1HD ARG 35 6.119 -12.155 -6.827 249 2HD ARG 35 2HD ARG 35 5.663 -13.395 -8.018 250 HE ARG 35 HE ARG 35 3.274 -12.319 -6.966 251 1HH1 ARG 35 2HH1 ARG 35 5.976 -11.291 -8.994 252 2HH1 ARG 35 1HH1 ARG 35 5.040 -10.114 -9.877 253 1HH2 ARG 35 2HH2 ARG 35 2.057 -10.832 -8.078 254 2HH2 ARG 35 1HH2 ARG 35 2.740 -9.848 -9.348 255 H ILE 36 H ILE 36 2.795 -13.660 -2.936 256 HA ILE 36 HA ILE 36 0.622 -14.241 -4.809 257 HB ILE 36 HB ILE 36 -0.321 -15.599 -2.983 258 1HG1 ILE 36 1HG1 ILE 36 2.142 -14.889 -1.347 259 2HG1 ILE 36 2HG1 ILE 36 0.595 -14.049 -1.142 260 1HG2 ILE 36 1HG2 ILE 36 1.497 -17.261 -2.976 261 2HG2 ILE 36 2HG2 ILE 36 2.682 -16.018 -3.418 262 3HG2 ILE 36 3HG2 ILE 36 1.404 -16.480 -4.559 263 1HD1 ILE 36 1HD1 ILE 36 1.001 -16.996 -0.730 264 2HD1 ILE 36 2HD1 ILE 36 -0.548 -16.107 -0.624 265 3HD1 ILE 36 3HD1 ILE 36 0.772 -15.736 0.508 266 H ILE 37 H ILE 37 0.944 -12.044 -2.062 267 HA ILE 37 HA ILE 37 -1.845 -11.277 -2.008 268 HB ILE 37 HB ILE 37 0.711 -10.347 -0.739 269 1HG1 ILE 37 1HG1 ILE 37 -0.628 -10.446 1.265 270 2HG1 ILE 37 2HG1 ILE 37 -2.130 -10.621 0.345 271 1HG2 ILE 37 1HG2 ILE 37 -0.025 -8.190 -1.466 272 2HG2 ILE 37 2HG2 ILE 37 -1.694 -8.518 -0.904 273 3HG2 ILE 37 3HG2 ILE 37 -0.358 -8.366 0.250 274 1HD1 ILE 37 1HD1 ILE 37 -1.344 -12.894 -0.384 275 2HD1 ILE 37 2HD1 ILE 37 -1.501 -12.723 1.366 276 3HD1 ILE 37 3HD1 ILE 37 0.106 -12.663 0.633 277 H ALA 38 H ALA 38 0.965 -9.875 -3.748 278 HA ALA 38 HA ALA 38 0.117 -7.547 -4.675 279 1HB ALA 38 1HB ALA 38 2.230 -8.530 -5.336 280 2HB ALA 38 2HB ALA 38 1.361 -7.958 -6.768 281 3HB ALA 38 3HB ALA 38 1.417 -9.690 -6.399 282 HA PRO 39 HA PRO 39 -2.703 -9.150 -8.286 283 1HB PRO 39 1HB PRO 39 -3.840 -11.671 -7.165 284 2HB PRO 39 2HB PRO 39 -3.314 -11.326 -8.834 285 1HG PRO 39 2HG PRO 39 -1.831 -12.937 -7.195 286 2HG PRO 39 1HG PRO 39 -1.027 -11.751 -8.274 287 1HD PRO 39 1HD PRO 39 -1.829 -11.338 -5.373 288 2HD PRO 39 2HD PRO 39 -0.193 -11.175 -6.081 289 H VAL 40 H VAL 40 -3.306 -9.986 -4.893 290 HA VAL 40 HA VAL 40 -6.116 -9.329 -4.842 291 HB VAL 40 HB VAL 40 -4.233 -9.378 -2.450 292 1HG1 VAL 40 1HG1 VAL 40 -6.519 -8.549 -2.088 293 2HG1 VAL 40 2HG1 VAL 40 -6.236 -10.105 -1.282 294 3HG1 VAL 40 3HG1 VAL 40 -7.164 -10.051 -2.798 295 1HG2 VAL 40 1HG2 VAL 40 -5.592 -11.741 -3.837 296 2HG2 VAL 40 2HG2 VAL 40 -4.849 -11.795 -2.226 297 3HG2 VAL 40 3HG2 VAL 40 -3.841 -11.522 -3.644 298 H VAL 41 H VAL 41 -3.015 -7.691 -4.071 299 HA VAL 41 HA VAL 41 -4.139 -5.189 -3.270 300 HB VAL 41 HB VAL 41 -1.473 -5.584 -4.713 301 1HG1 VAL 41 1HG1 VAL 41 -1.540 -7.096 -2.809 302 2HG1 VAL 41 2HG1 VAL 41 -0.470 -5.749 -2.466 303 3HG1 VAL 41 3HG1 VAL 41 -2.094 -5.798 -1.738 304 1HG2 VAL 41 1HG2 VAL 41 -2.098 -3.235 -4.529 305 2HG2 VAL 41 2HG2 VAL 41 -2.509 -3.442 -2.809 306 3HG2 VAL 41 3HG2 VAL 41 -0.830 -3.590 -3.349 307 H ASP 42 HN ASP 42 -3.182 -6.430 -6.487 308 HA ASP 42 HA ASP 42 -3.775 -4.119 -8.024 309 1HB ASP 42 1HB ASP 42 -3.903 -7.069 -8.796 310 2HB ASP 42 2HB ASP 42 -4.085 -5.734 -9.919 311 H GLU 43 HN GLU 43 -5.934 -7.038 -7.565 312 HA GLU 43 HA GLU 43 -8.102 -5.757 -8.870 313 1HB GLU 43 1HB GLU 43 -9.379 -7.587 -8.269 314 2HB GLU 43 2HB GLU 43 -7.741 -8.229 -8.388 315 1HG GLU 43 2HG GLU 43 -7.682 -7.836 -5.780 316 2HG GLU 43 1HG GLU 43 -9.434 -7.701 -5.917 317 H ILE 44 H ILE 44 -7.155 -5.773 -5.419 318 HA ILE 44 HA ILE 44 -9.419 -4.528 -4.314 319 HB ILE 44 HB ILE 44 -6.470 -4.618 -3.678 320 1HG1 ILE 44 2HG1 ILE 44 -8.204 -6.428 -3.128 321 2HG1 ILE 44 1HG1 ILE 44 -7.158 -5.884 -1.811 322 1HG2 ILE 44 1HG2 ILE 44 -8.351 -2.791 -2.203 323 2HG2 ILE 44 2HG2 ILE 44 -6.854 -2.369 -3.062 324 3HG2 ILE 44 3HG2 ILE 44 -6.783 -3.373 -1.608 325 1HD1 ILE 44 1HD1 ILE 44 -9.469 -6.222 -1.087 326 2HD1 ILE 44 2HD1 ILE 44 -9.021 -4.525 -0.897 327 3HD1 ILE 44 3HD1 ILE 44 -10.058 -5.028 -2.250 328 H ALA 45 H ALA 45 -6.717 -3.084 -6.200 329 HA ALA 45 HA ALA 45 -7.539 -0.368 -5.814 330 1HB ALA 45 1HB ALA 45 -6.197 0.126 -7.729 331 2HB ALA 45 2HB ALA 45 -5.399 -1.235 -6.899 332 3HB ALA 45 3HB ALA 45 -6.355 -1.521 -8.351 333 H GLY 46 H GLY 46 -8.628 -2.947 -8.084 334 1HA GLY 46 2HA GLY 46 -10.179 -1.286 -9.836 335 2HA GLY 46 1HA GLY 46 -10.365 -3.031 -9.558 336 H GLU 47 HN GLU 47 -10.801 -3.016 -6.770 337 HA GLU 47 HA GLU 47 -13.607 -2.387 -6.657 338 1HB GLU 47 2HB GLU 47 -11.766 -2.937 -4.291 339 2HB GLU 47 1HB GLU 47 -13.515 -3.104 -4.387 340 1HG GLU 47 2HG GLU 47 -12.994 -4.835 -6.303 341 2HG GLU 47 1HG GLU 47 -11.352 -4.798 -5.684 342 H TYR 48 H TYR 48 -10.806 -0.923 -5.034 343 HA TYR 48 HA TYR 48 -12.531 1.245 -3.966 344 1HB TYR 48 2HB TYR 48 -9.735 0.326 -3.243 345 2HB TYR 48 1HB TYR 48 -10.596 1.655 -2.470 346 HD1 TYR 48 HD1 TYR 48 -10.322 -1.989 -2.574 347 HD2 TYR 48 HD2 TYR 48 -12.759 1.319 -1.301 348 HE1 TYR 48 HE1 TYR 48 -11.645 -3.516 -1.142 349 HE2 TYR 48 HE2 TYR 48 -14.103 -0.207 0.098 350 HH TYR 48 HH TYR 48 -14.550 -2.411 0.596 351 H LYS 49 HN LYS 49 -10.887 1.091 -6.782 352 HA LYS 49 HA LYS 49 -9.255 3.173 -7.109 353 1HB LYS 49 1HB LYS 49 -10.217 3.472 -9.396 354 2HB LYS 49 2HB LYS 49 -9.942 1.786 -8.979 355 1HG LYS 49 1HG LYS 49 -12.396 1.610 -8.353 356 2HG LYS 49 2HG LYS 49 -12.615 3.259 -8.975 357 1HD LYS 49 2HD LYS 49 -11.719 2.504 -11.190 358 2HD LYS 49 1HD LYS 49 -11.592 0.853 -10.552 359 1HE LYS 49 2HE LYS 49 -14.157 2.481 -10.882 360 2HE LYS 49 1HE LYS 49 -13.643 1.095 -11.860 361 1HZ LYS 49 1HZ LYS 49 -15.188 0.367 -10.260 362 2HZ LYS 49 2HZ LYS 49 -13.709 -0.218 -9.803 363 3HZ LYS 49 3HZ LYS 49 -14.362 1.065 -9.017 364 H ASP 50 HN ASP 50 -9.310 5.358 -7.534 365 HA ASP 50 HA ASP 50 -9.887 7.531 -7.482 366 1HB ASP 50 1HB ASP 50 -12.802 6.593 -7.550 367 2HB ASP 50 2HB ASP 50 -12.231 8.240 -7.690 368 H LYS 51 HN LYS 51 -11.933 5.646 -5.273 369 HA LYS 51 HA LYS 51 -12.133 7.737 -3.291 370 1HB LYS 51 2HB LYS 51 -12.480 4.749 -3.017 371 2HB LYS 51 1HB LYS 51 -13.134 5.989 -1.947 372 1HG LYS 51 1HG LYS 51 -14.740 6.712 -3.574 373 2HG LYS 51 2HG LYS 51 -13.964 5.842 -4.895 374 1HD LYS 51 2HD LYS 51 -15.391 4.520 -2.554 375 2HD LYS 51 1HD LYS 51 -16.001 4.716 -4.208 376 1HE LYS 51 1HE LYS 51 -13.892 3.424 -4.981 377 2HE LYS 51 2HE LYS 51 -13.680 2.996 -3.269 378 1HZ LYS 51 1HZ LYS 51 -14.834 1.333 -4.510 379 2HZ LYS 51 2HZ LYS 51 -16.044 2.387 -4.875 380 3HZ LYS 51 3HZ LYS 51 -15.786 1.944 -3.306 381 H LEU 52 H LEU 52 -9.765 5.278 -4.035 382 HA LEU 52 HA LEU 52 -8.057 6.045 -1.787 383 1HB LEU 52 1HB LEU 52 -9.604 4.201 -0.987 384 2HB LEU 52 2HB LEU 52 -8.999 3.203 -2.311 385 HG LEU 52 HG LEU 52 -6.720 3.251 -1.286 386 1HD1 LEU 52 1HD2 LEU 52 -6.556 3.996 1.108 387 2HD1 LEU 52 2HD2 LEU 52 -8.182 4.695 0.982 388 3HD1 LEU 52 3HD2 LEU 52 -6.848 5.340 0.004 389 1HD2 LEU 52 1HD1 LEU 52 -9.056 2.308 0.442 390 2HD2 LEU 52 2HD1 LEU 52 -8.280 1.400 -0.872 391 3HD2 LEU 52 3HD1 LEU 52 -7.387 1.750 0.618 392 H LYS 53 HN LYS 53 -5.878 6.088 -2.650 393 HA LYS 53 HA LYS 53 -5.602 5.076 -5.404 394 1HB LYS 53 2HB LYS 53 -4.763 7.379 -4.072 395 2HB LYS 53 1HB LYS 53 -3.302 6.422 -4.135 396 1HG LYS 53 1HG LYS 53 -4.980 7.016 -6.579 397 2HG LYS 53 2HG LYS 53 -3.507 7.866 -6.083 398 1HD LYS 53 1HD LYS 53 -2.189 5.773 -6.243 399 2HD LYS 53 2HD LYS 53 -3.634 4.857 -6.676 400 1HE LYS 53 1HE LYS 53 -2.363 5.326 -8.679 401 2HE LYS 53 2HE LYS 53 -3.910 6.183 -8.742 402 1HZ LYS 53 1HZ LYS 53 -2.763 8.170 -8.077 403 2HZ LYS 53 2HZ LYS 53 -1.327 7.366 -7.989 404 3HZ LYS 53 3HZ LYS 53 -2.083 7.548 -9.441 405 H CYS 54 H CYS 54 -5.397 2.843 -5.237 406 HA CYS 54 HA CYS 54 -3.766 1.644 -3.144 407 1HB CYS 54 1HB CYS 54 -5.756 0.507 -4.008 408 2HB CYS 54 2HB CYS 54 -5.006 0.476 -5.624 409 HG CYS 54 HG CYS 54 -4.728 -1.905 -4.729 410 H VAL 55 H VAL 55 -1.564 1.065 -3.302 411 HA VAL 55 HA VAL 55 -0.293 0.811 -5.925 412 HB VAL 55 HB VAL 55 1.530 2.503 -4.614 413 1HG1 VAL 55 1HG1 VAL 55 -1.093 3.970 -4.394 414 2HG1 VAL 55 2HG1 VAL 55 -0.247 3.235 -3.009 415 3HG1 VAL 55 3HG1 VAL 55 0.538 4.509 -3.955 416 1HG2 VAL 55 1HG2 VAL 55 1.190 2.503 -6.940 417 2HG2 VAL 55 2HG2 VAL 55 -0.479 3.079 -6.807 418 3HG2 VAL 55 3HG2 VAL 55 0.872 4.144 -6.384 419 H LYS 56 HN LYS 56 2.006 0.316 -5.761 420 HA LYS 56 HA LYS 56 2.701 -1.293 -3.348 421 1HB LYS 56 2HB LYS 56 2.652 -1.807 -6.329 422 2HB LYS 56 1HB LYS 56 3.782 -2.708 -5.332 423 1HG LYS 56 1HG LYS 56 2.073 -3.684 -4.000 424 2HG LYS 56 2HG LYS 56 0.811 -2.639 -4.675 425 1HD LYS 56 2HD LYS 56 2.376 -4.509 -6.492 426 2HD LYS 56 1HD LYS 56 1.096 -5.140 -5.453 427 1HE LYS 56 2HE LYS 56 0.134 -4.683 -7.590 428 2HE LYS 56 1HE LYS 56 -0.539 -3.555 -6.408 429 1HZ LYS 56 1HZ LYS 56 0.033 -2.516 -8.501 430 2HZ LYS 56 2HZ LYS 56 0.911 -1.866 -7.277 431 3HZ LYS 56 3HZ LYS 56 1.616 -2.937 -8.311 432 H LEU 57 H LEU 57 4.798 -0.919 -2.592 433 HA LEU 57 HA LEU 57 6.646 0.488 -4.445 434 1HB LEU 57 2HB LEU 57 7.179 1.960 -3.111 435 2HB LEU 57 1HB LEU 57 5.562 1.815 -2.435 436 HG LEU 57 HG LEU 57 6.747 0.759 -0.449 437 1HD1 LEU 57 1HD1 LEU 57 7.691 3.046 0.206 438 2HD1 LEU 57 2HD1 LEU 57 6.078 3.097 -0.513 439 3HD1 LEU 57 3HD1 LEU 57 7.508 3.539 -1.470 440 1HD2 LEU 57 1HD2 LEU 57 9.243 1.455 -0.288 441 2HD2 LEU 57 2HD2 LEU 57 9.239 1.484 -2.058 442 3HD2 LEU 57 3HD2 LEU 57 8.908 -0.020 -1.159 443 H ASN 58 H ASN 58 8.661 -0.110 -4.730 444 HA ASN 58 HA ASN 58 9.294 -2.768 -3.692 445 1HB ASN 58 1HB ASN 58 9.669 -2.219 -6.043 446 2HB ASN 58 2HB ASN 58 10.789 -0.931 -5.590 447 1HD2 ASN 58 2HD2 ASN 58 10.748 -4.047 -6.730 448 2HD2 ASN 58 1HD2 ASN 58 12.296 -4.577 -6.089 449 H THR 59 H THR 59 10.161 -3.048 -1.833 450 HA THR 59 HA THR 59 11.495 -0.960 -0.314 451 HB THR 59 HB THR 59 10.783 -3.859 0.397 452 HG1 THR 59 HG1 THR 59 8.942 -2.867 -0.270 453 1HG2 THR 59 1HG2 THR 59 11.462 -1.399 1.997 454 2HG2 THR 59 2HG2 THR 59 12.147 -3.026 2.140 455 3HG2 THR 59 3HG2 THR 59 10.496 -2.732 2.693 456 H ASP 60 HN ASP 60 13.050 -1.612 -2.450 457 HA ASP 60 HA ASP 60 15.562 -2.451 -1.141 458 1HB ASP 60 2HB ASP 60 14.957 -4.616 -1.642 459 2HB ASP 60 1HB ASP 60 13.973 -4.167 -3.003 460 H GLU 61 HN GLU 61 13.855 -1.717 -4.135 461 HA GLU 61 HA GLU 61 15.914 -0.028 -5.296 462 1HB GLU 61 2HB GLU 61 14.217 -1.377 -6.548 463 2HB GLU 61 1HB GLU 61 12.944 -0.382 -5.818 464 1HG GLU 61 2HG GLU 61 13.811 1.614 -7.016 465 2HG GLU 61 1HG GLU 61 15.121 0.625 -7.681 466 H SER 62 H SER 62 13.215 0.320 -3.032 467 HA SER 62 HA SER 62 13.913 3.135 -2.527 468 1HB SER 62 1HB SER 62 11.181 2.032 -3.294 469 2HB SER 62 2HB SER 62 11.401 3.592 -2.514 470 HG SER 62 HG SER 62 13.167 3.286 -4.568 471 HA PRO 63 HA PRO 63 13.290 0.543 1.296 472 1HB PRO 63 1HB PRO 63 15.835 0.415 2.185 473 2HB PRO 63 2HB PRO 63 15.301 -0.634 0.834 474 1HG PRO 63 2HG PRO 63 16.762 2.035 0.646 475 2HG PRO 63 1HG PRO 63 17.177 0.516 -0.167 476 1HD PRO 63 2HD PRO 63 15.701 2.374 -1.487 477 2HD PRO 63 1HD PRO 63 15.326 0.654 -1.614 478 H ASN 64 H ASN 64 15.150 3.408 0.465 479 HA ASN 64 HA ASN 64 15.654 4.844 2.657 480 1HB ASN 64 1HB ASN 64 14.019 6.012 0.351 481 2HB ASN 64 2HB ASN 64 15.063 6.902 1.466 482 1HD2 ASN 64 2HD2 ASN 64 15.399 7.248 -1.220 483 2HD2 ASN 64 1HD2 ASN 64 16.892 6.455 -1.731 484 H VAL 65 H VAL 65 12.440 4.959 1.175 485 HA VAL 65 HA VAL 65 11.061 6.317 3.215 486 HB VAL 65 HB VAL 65 10.103 4.291 1.134 487 1HG1 VAL 65 1HG2 VAL 65 7.924 5.316 1.388 488 2HG1 VAL 65 2HG2 VAL 65 8.549 6.412 2.655 489 3HG1 VAL 65 3HG2 VAL 65 8.438 4.670 2.950 490 1HG2 VAL 65 1HG1 VAL 65 11.255 6.189 0.070 491 2HG2 VAL 65 2HG1 VAL 65 9.512 6.344 -0.165 492 3HG2 VAL 65 3HG1 VAL 65 10.332 7.335 1.060 493 H ALA 66 H ALA 66 11.322 2.840 2.529 494 HA ALA 66 HA ALA 66 9.684 1.915 4.667 495 1HB ALA 66 1HB ALA 66 10.478 0.542 2.747 496 2HB ALA 66 2HB ALA 66 10.757 -0.245 4.313 497 3HB ALA 66 3HB ALA 66 12.108 0.511 3.460 498 H SER 67 H SER 67 13.088 2.871 4.626 499 HA SER 67 HA SER 67 13.710 1.912 7.286 500 1HB SER 67 1HB SER 67 15.184 3.992 5.608 501 2HB SER 67 2HB SER 67 15.816 3.045 6.963 502 HG SER 67 HG SER 67 14.873 2.004 4.480 503 H GLU 68 HN GLU 68 12.923 5.061 5.822 504 HA GLU 68 HA GLU 68 13.089 6.697 8.136 505 1HB GLU 68 2HB GLU 68 11.276 6.847 5.691 506 2HB GLU 68 1HB GLU 68 11.375 8.119 6.905 507 1HG GLU 68 2HG GLU 68 13.590 8.689 6.355 508 2HG GLU 68 1HG GLU 68 13.914 7.155 5.554 509 H TYR 69 H TYR 69 10.348 4.768 6.847 510 HA TYR 69 HA TYR 69 8.634 5.462 9.122 511 1HB TYR 69 2HB TYR 69 8.406 3.677 6.690 512 2HB TYR 69 1HB TYR 69 7.310 3.469 8.046 513 HD1 TYR 69 HD1 TYR 69 8.372 5.857 5.390 514 HD2 TYR 69 HD2 TYR 69 5.693 5.183 8.696 515 HE1 TYR 69 HE1 TYR 69 7.296 8.032 4.954 516 HE2 TYR 69 HE2 TYR 69 4.601 7.363 8.243 517 HH TYR 69 HH TYR 69 5.848 9.646 5.811 518 H GLY 70 H GLY 70 10.770 2.727 8.302 519 1HA GLY 70 1HA GLY 70 11.919 1.476 9.914 520 2HA GLY 70 2HA GLY 70 10.776 1.965 11.169 521 H ILE 71 H ILE 71 10.484 0.408 7.948 522 HA ILE 71 HA ILE 71 8.452 -1.455 8.936 523 HB ILE 71 HB ILE 71 9.833 -1.107 6.253 524 1HG1 ILE 71 2HG1 ILE 71 7.113 -0.292 7.401 525 2HG1 ILE 71 1HG1 ILE 71 8.437 0.799 6.962 526 1HG2 ILE 71 1HG2 ILE 71 7.414 -2.823 6.959 527 2HG2 ILE 71 2HG2 ILE 71 9.020 -3.451 6.534 528 3HG2 ILE 71 3HG2 ILE 71 8.086 -2.575 5.335 529 1HD1 ILE 71 1HD1 ILE 71 6.916 0.949 5.204 530 2HD1 ILE 71 2HD1 ILE 71 8.238 -0.075 4.598 531 3HD1 ILE 71 3HD1 ILE 71 6.689 -0.805 5.091 532 H ARG 72 HN ARG 72 9.061 -3.109 10.183 533 HA ARG 72 HA ARG 72 11.723 -4.211 10.094 534 1HB ARG 72 2HB ARG 72 11.105 -5.491 11.917 535 2HB ARG 72 1HB ARG 72 10.343 -3.931 12.181 536 1HG ARG 72 1HG ARG 72 8.717 -6.233 10.997 537 2HG ARG 72 2HG ARG 72 9.181 -6.255 12.671 538 1HD ARG 72 2HD ARG 72 6.951 -5.388 12.518 539 2HD ARG 72 1HD ARG 72 8.061 -4.191 13.176 540 HE ARG 72 HE ARG 72 7.418 -2.778 11.551 541 1HH1 ARG 72 2HH1 ARG 72 6.817 -6.045 10.273 542 2HH1 ARG 72 1HH1 ARG 72 6.121 -5.434 8.780 543 1HH2 ARG 72 2HH2 ARG 72 6.279 -2.061 9.699 544 2HH2 ARG 72 1HH2 ARG 72 5.715 -3.240 8.530 545 H SER 73 H SER 73 8.660 -5.111 8.564 546 HA SER 73 HA SER 73 9.980 -7.210 7.056 547 1HB SER 73 1HB SER 73 7.590 -7.985 8.795 548 2HB SER 73 2HB SER 73 8.550 -9.037 7.747 549 HG SER 73 HG SER 73 10.333 -8.100 9.298 550 H ILE 74 H ILE 74 8.366 -8.094 5.379 551 HA ILE 74 HA ILE 74 6.199 -6.184 4.815 552 HB ILE 74 HB ILE 74 6.983 -6.423 2.357 553 1HG1 ILE 74 1HG1 ILE 74 9.699 -6.958 3.572 554 2HG1 ILE 74 2HG1 ILE 74 8.675 -8.225 2.871 555 1HG2 ILE 74 1HG2 ILE 74 8.736 -4.810 4.264 556 2HG2 ILE 74 2HG2 ILE 74 7.093 -4.343 3.776 557 3HG2 ILE 74 3HG2 ILE 74 8.374 -4.425 2.570 558 1HD1 ILE 74 1HD1 ILE 74 8.564 -6.923 0.735 559 2HD1 ILE 74 2HD1 ILE 74 10.188 -7.453 1.170 560 3HD1 ILE 74 3HD1 ILE 74 9.732 -5.767 1.415 561 HA PRO 75 HA PRO 75 4.860 -6.223 2.728 562 1HB PRO 75 1HB PRO 75 2.204 -6.647 2.420 563 2HB PRO 75 2HB PRO 75 3.465 -7.193 1.309 564 1HG PRO 75 1HG PRO 75 2.117 -8.758 3.554 565 2HG PRO 75 2HG PRO 75 2.379 -9.323 1.877 566 1HD PRO 75 2HD PRO 75 4.006 -9.990 4.005 567 2HD PRO 75 1HD PRO 75 4.657 -9.730 2.364 568 H THR 76 H THR 76 4.248 -4.500 3.617 569 HA THR 76 HA THR 76 2.608 -4.436 6.111 570 HB THR 76 HB THR 76 5.112 -2.778 5.578 571 HG1 THR 76 HG1 THR 76 5.676 -4.671 6.606 572 1HG2 THR 76 1HG2 THR 76 3.056 -2.602 7.829 573 2HG2 THR 76 2HG2 THR 76 4.555 -1.661 7.714 574 3HG2 THR 76 3HG2 THR 76 3.264 -1.393 6.545 575 H ILE 77 H ILE 77 0.773 -3.775 5.141 576 HA ILE 77 HA ILE 77 0.784 -1.897 2.872 577 HB ILE 77 HB ILE 77 -1.417 -3.299 4.452 578 1HG1 ILE 77 2HG1 ILE 77 -0.462 -3.618 1.564 579 2HG1 ILE 77 1HG1 ILE 77 -0.020 -4.689 2.897 580 1HG2 ILE 77 1HG2 ILE 77 -1.649 -1.428 2.057 581 2HG2 ILE 77 2HG2 ILE 77 -2.236 -1.086 3.697 582 3HG2 ILE 77 3HG2 ILE 77 -2.988 -2.364 2.762 583 1HD1 ILE 77 1HD1 ILE 77 -2.797 -4.319 1.719 584 2HD1 ILE 77 2HD1 ILE 77 -1.778 -5.762 1.705 585 3HD1 ILE 77 3HD1 ILE 77 -2.468 -5.188 3.238 586 H MET 78 H MET 78 0.300 0.315 3.176 587 HA MET 78 HA MET 78 -0.420 1.191 5.934 588 1HB MET 78 2HB MET 78 1.562 2.658 4.230 589 2HB MET 78 1HB MET 78 0.990 3.100 5.829 590 1HG MET 78 2HG MET 78 1.995 0.964 6.717 591 2HG MET 78 1HG MET 78 2.795 0.760 5.151 592 1HE MET 78 1HE MET 78 4.961 0.528 6.616 593 2HE MET 78 2HE MET 78 5.626 1.800 7.669 594 3HE MET 78 3HE MET 78 4.142 0.939 8.144 595 H VAL 79 H VAL 79 -1.576 3.035 5.995 596 HA VAL 79 HA VAL 79 -2.977 3.808 3.463 597 HB VAL 79 HB VAL 79 -3.931 3.841 6.344 598 1HG1 VAL 79 1HG1 VAL 79 -4.146 1.662 5.194 599 2HG1 VAL 79 2HG1 VAL 79 -4.994 2.452 3.846 600 3HG1 VAL 79 3HG1 VAL 79 -5.732 2.402 5.461 601 1HG2 VAL 79 1HG2 VAL 79 -6.029 4.846 5.420 602 2HG2 VAL 79 2HG2 VAL 79 -5.203 5.072 3.861 603 3HG2 VAL 79 3HG2 VAL 79 -4.656 5.942 5.303 604 H PHE 80 H PHE 80 -2.625 5.868 2.856 605 HA PHE 80 HA PHE 80 -1.417 7.825 4.750 606 1HB PHE 80 1HB PHE 80 -0.729 7.230 1.864 607 2HB PHE 80 2HB PHE 80 -0.496 8.833 2.542 608 HD1 PHE 80 HD1 PHE 80 1.472 9.362 3.706 609 HD2 PHE 80 HD2 PHE 80 0.450 5.223 3.045 610 HE1 PHE 80 HE1 PHE 80 3.653 8.675 4.632 611 HE2 PHE 80 HE2 PHE 80 2.681 4.549 3.919 612 HZ PHE 80 HZ PHE 80 4.243 6.247 4.791 613 H LYS 81 HN LYS 81 -2.235 9.824 4.667 614 HA LYS 81 HA LYS 81 -4.684 10.262 2.979 615 1HB LYS 81 2HB LYS 81 -6.022 10.784 4.822 616 2HB LYS 81 1HB LYS 81 -5.196 9.301 5.289 617 1HG LYS 81 1HG LYS 81 -4.783 12.127 6.301 618 2HG LYS 81 2HG LYS 81 -5.215 10.672 7.196 619 1HD LYS 81 1HD LYS 81 -2.854 9.788 6.656 620 2HD LYS 81 2HD LYS 81 -2.497 11.398 6.008 621 1HE LYS 81 1HE LYS 81 -1.683 11.439 8.214 622 2HE LYS 81 2HE LYS 81 -3.178 12.389 8.238 623 1HZ LYS 81 1HZ LYS 81 -3.076 10.930 10.085 624 2HZ LYS 81 2HZ LYS 81 -2.771 9.625 9.132 625 3HZ LYS 81 3HZ LYS 81 -4.258 10.356 9.086 626 H GLY 82 H GLY 82 -1.730 11.273 3.326 627 1HA GLY 82 1HA GLY 82 -1.863 13.756 2.349 628 2HA GLY 82 2HA GLY 82 -1.916 14.024 4.111 629 H GLY 83 H GLY 83 0.330 14.872 4.012 630 1HA GLY 83 2HA GLY 83 2.513 13.319 3.049 631 2HA GLY 83 1HA GLY 83 2.598 14.695 4.146 632 H LYS 84 HN LYS 84 0.741 11.852 5.125 633 HA LYS 84 HA LYS 84 2.846 10.609 6.616 634 1HB LYS 84 1HB LYS 84 0.632 12.029 8.167 635 2HB LYS 84 2HB LYS 84 1.794 10.884 8.838 636 1HG LYS 84 1HG LYS 84 3.649 12.436 8.146 637 2HG LYS 84 2HG LYS 84 2.414 13.645 7.732 638 1HD LYS 84 2HD LYS 84 1.518 13.511 10.057 639 2HD LYS 84 1HD LYS 84 2.815 12.384 10.485 640 1HE LYS 84 1HE LYS 84 3.186 15.259 9.505 641 2HE LYS 84 2HE LYS 84 3.339 14.704 11.179 642 1HZ LYS 84 1HZ LYS 84 5.457 14.886 10.144 643 2HZ LYS 84 2HZ LYS 84 5.028 13.858 8.932 644 3HZ LYS 84 3HZ LYS 84 5.152 13.302 10.479 645 H LYS 85 HN LYS 85 1.984 8.783 7.797 646 HA LYS 85 HA LYS 85 -0.039 7.396 6.237 647 1HB LYS 85 2HB LYS 85 0.568 5.458 7.392 648 2HB LYS 85 1HB LYS 85 2.049 6.286 6.932 649 1HG LYS 85 2HG LYS 85 2.384 7.104 9.202 650 2HG LYS 85 1HG LYS 85 0.840 6.457 9.745 651 1HD LYS 85 1HD LYS 85 3.159 4.791 8.674 652 2HD LYS 85 2HD LYS 85 2.785 5.039 10.384 653 1HE LYS 85 2HE LYS 85 1.046 3.570 8.339 654 2HE LYS 85 1HE LYS 85 1.955 2.878 9.674 655 1HZ LYS 85 1HZ LYS 85 -0.317 4.710 9.946 656 2HZ LYS 85 2HZ LYS 85 0.561 4.092 11.195 657 3HZ LYS 85 3HZ LYS 85 -0.326 3.093 10.232 658 H CYS 86 H CYS 86 -1.528 5.940 7.703 659 HA CYS 86 HA CYS 86 -2.689 7.444 10.026 660 1HB CYS 86 2HB CYS 86 -4.022 8.008 8.020 661 2HB CYS 86 1HB CYS 86 -4.255 6.298 7.657 662 HG CYS 86 HG CYS 86 -4.975 7.782 10.517 663 H GLU 87 HN GLU 87 -3.261 4.530 8.097 664 HA GLU 87 HA GLU 87 -3.108 2.802 10.544 665 1HB GLU 87 2HB GLU 87 -5.007 2.747 8.158 666 2HB GLU 87 1HB GLU 87 -4.787 1.368 9.228 667 1HG GLU 87 1HG GLU 87 -5.581 4.131 10.258 668 2HG GLU 87 2HG GLU 87 -6.754 2.932 9.755 669 H THR 88 H THR 88 -2.718 0.424 9.870 670 HA THR 88 HA THR 88 -1.344 -0.006 7.424 671 HB THR 88 HB THR 88 0.498 1.088 8.613 672 HG1 THR 88 HG1 THR 88 0.918 -0.936 7.478 673 1HG2 THR 88 1HG2 THR 88 -0.282 0.814 10.959 674 2HG2 THR 88 2HG2 THR 88 0.043 -0.930 10.863 675 3HG2 THR 88 3HG2 THR 88 1.377 0.230 10.760 676 H ILE 89 H ILE 89 -0.847 -2.283 7.110 677 HA ILE 89 HA ILE 89 -2.109 -4.137 9.036 678 HB ILE 89 HB ILE 89 -2.716 -4.645 6.142 679 1HG1 ILE 89 1HG1 ILE 89 -4.332 -2.517 7.587 680 2HG1 ILE 89 2HG1 ILE 89 -3.200 -2.246 6.248 681 1HG2 ILE 89 1HG2 ILE 89 -3.380 -6.128 8.051 682 2HG2 ILE 89 2HG2 ILE 89 -4.761 -5.588 7.106 683 3HG2 ILE 89 3HG2 ILE 89 -4.412 -4.825 8.673 684 1HD1 ILE 89 1HD1 ILE 89 -5.432 -2.296 5.361 685 2HD1 ILE 89 2HD1 ILE 89 -5.710 -3.921 5.999 686 3HD1 ILE 89 3HD1 ILE 89 -4.484 -3.662 4.744 687 H ILE 90 H ILE 90 -1.334 -6.282 8.717 688 HA ILE 90 HA ILE 90 1.283 -6.493 7.320 689 HB ILE 90 HB ILE 90 -0.306 -8.491 8.998 690 1HG1 ILE 90 2HG1 ILE 90 2.293 -6.976 9.566 691 2HG1 ILE 90 1HG1 ILE 90 0.712 -6.554 10.233 692 1HG2 ILE 90 1HG2 ILE 90 1.036 -9.621 7.228 693 2HG2 ILE 90 2HG2 ILE 90 2.478 -8.728 7.753 694 3HG2 ILE 90 3HG2 ILE 90 1.712 -9.927 8.818 695 1HD1 ILE 90 1HD1 ILE 90 0.592 -8.814 11.315 696 2HD1 ILE 90 2HD1 ILE 90 1.893 -7.765 11.912 697 3HD1 ILE 90 3HD1 ILE 90 2.278 -9.093 10.811 698 H GLY 91 H GLY 91 1.191 -7.016 5.165 699 1HA GLY 91 1HA GLY 91 -1.289 -7.218 3.843 700 2HA GLY 91 2HA GLY 91 0.256 -7.564 3.090 701 H ALA 92 H ALA 92 0.866 -9.854 4.889 702 HA ALA 92 HA ALA 92 -0.373 -11.953 3.448 703 1HB ALA 92 1HB ALA 92 0.874 -13.386 4.990 704 2HB ALA 92 2HB ALA 92 1.122 -12.026 6.106 705 3HB ALA 92 3HB ALA 92 1.882 -12.009 4.507 706 H VAL 93 H VAL 93 -2.703 -11.029 3.942 707 HA VAL 93 HA VAL 93 -3.911 -12.874 5.862 708 HB VAL 93 HB VAL 93 -5.456 -11.137 6.697 709 1HG1 VAL 93 1HG2 VAL 93 -5.320 -9.478 4.894 710 2HG1 VAL 93 2HG2 VAL 93 -3.632 -9.127 5.313 711 3HG1 VAL 93 3HG2 VAL 93 -4.933 -8.738 6.451 712 1HG2 VAL 93 1HG1 VAL 93 -3.447 -11.749 8.019 713 2HG2 VAL 93 2HG1 VAL 93 -2.572 -10.381 7.292 714 3HG2 VAL 93 3HG1 VAL 93 -3.994 -10.088 8.304 715 HA PRO 94 HA PRO 94 -6.505 -13.512 2.374 716 1HB PRO 94 1HB PRO 94 -8.906 -13.287 4.189 717 2HB PRO 94 2HB PRO 94 -8.548 -14.556 2.984 718 1HG PRO 94 2HG PRO 94 -8.115 -15.035 5.620 719 2HG PRO 94 1HG PRO 94 -6.893 -15.535 4.413 720 1HD PRO 94 2HD PRO 94 -6.858 -13.093 6.196 721 2HD PRO 94 1HD PRO 94 -5.553 -14.240 5.789 722 H LYS 95 HN LYS 95 -7.928 -12.553 0.876 723 HA LYS 95 HA LYS 95 -8.012 -9.789 0.632 724 1HB LYS 95 2HB LYS 95 -8.419 -11.425 -1.216 725 2HB LYS 95 1HB LYS 95 -9.984 -11.835 -0.496 726 1HG LYS 95 1HG LYS 95 -10.709 -9.449 -0.767 727 2HG LYS 95 2HG LYS 95 -9.162 -9.082 -1.545 728 1HD LYS 95 2HD LYS 95 -9.722 -10.659 -3.378 729 2HD LYS 95 1HD LYS 95 -11.207 -11.134 -2.524 730 1HE LYS 95 2HE LYS 95 -11.995 -8.743 -2.627 731 2HE LYS 95 1HE LYS 95 -10.558 -8.342 -3.585 732 1HZ LYS 95 1HZ LYS 95 -12.468 -8.734 -4.919 733 2HZ LYS 95 2HZ LYS 95 -11.318 -9.876 -5.240 734 3HZ LYS 95 3HZ LYS 95 -12.647 -10.269 -4.337 735 H ALA 96 H ALA 96 -10.432 -12.000 2.000 736 HA ALA 96 HA ALA 96 -12.548 -10.203 2.496 737 1HB ALA 96 1HB ALA 96 -11.605 -12.548 4.216 738 2HB ALA 96 2HB ALA 96 -13.197 -11.765 4.305 739 3HB ALA 96 3HB ALA 96 -12.723 -12.640 2.837 740 H THR 97 H THR 97 -9.675 -10.961 4.559 741 HA THR 97 HA THR 97 -10.372 -9.215 6.690 742 HB THR 97 HB THR 97 -7.569 -10.048 5.828 743 HG1 THR 97 HG1 THR 97 -9.555 -11.524 7.220 744 1HG2 THR 97 1HG2 THR 97 -7.702 -8.500 7.758 745 2HG2 THR 97 2HG2 THR 97 -8.853 -9.586 8.564 746 3HG2 THR 97 3HG2 THR 97 -7.184 -10.115 8.272 747 H ILE 98 H ILE 98 -8.293 -8.829 3.765 748 HA ILE 98 HA ILE 98 -7.458 -6.160 4.272 749 HB ILE 98 HB ILE 98 -8.012 -7.559 1.605 750 1HG1 ILE 98 1HG1 ILE 98 -6.282 -8.700 2.907 751 2HG1 ILE 98 2HG1 ILE 98 -5.645 -7.933 1.464 752 1HG2 ILE 98 1HG2 ILE 98 -8.020 -5.181 1.189 753 2HG2 ILE 98 2HG2 ILE 98 -6.608 -4.922 2.223 754 3HG2 ILE 98 3HG2 ILE 98 -6.446 -5.801 0.686 755 1HD1 ILE 98 1HD1 ILE 98 -4.746 -6.062 2.847 756 2HD1 ILE 98 2HD1 ILE 98 -5.340 -6.880 4.311 757 3HD1 ILE 98 3HD1 ILE 98 -4.101 -7.642 3.304 758 H VAL 99 H VAL 99 -10.281 -7.254 2.338 759 HA VAL 99 HA VAL 99 -11.448 -4.791 1.745 760 HB VAL 99 HB VAL 99 -12.599 -7.559 2.271 761 1HG1 VAL 99 1HG2 VAL 99 -14.468 -6.072 2.774 762 2HG1 VAL 99 2HG2 VAL 99 -14.134 -5.113 1.316 763 3HG1 VAL 99 3HG2 VAL 99 -14.700 -6.787 1.179 764 1HG2 VAL 99 1HG1 VAL 99 -12.854 -7.602 -0.156 765 2HG2 VAL 99 2HG1 VAL 99 -12.311 -5.916 -0.281 766 3HG2 VAL 99 3HG1 VAL 99 -11.180 -7.180 0.234 767 H GLN 100 H GLN 100 -12.248 -6.898 4.585 768 HA GLN 100 HA GLN 100 -14.011 -5.056 5.791 769 1HB GLN 100 2HB GLN 100 -12.174 -7.204 6.940 770 2HB GLN 100 1HB GLN 100 -13.299 -6.314 7.954 771 1HG GLN 100 2HG GLN 100 -14.047 -8.016 5.522 772 2HG GLN 100 1HG GLN 100 -14.243 -8.483 7.215 773 1HE2 GLN 100 1HE2 GLN 100 -15.192 -5.751 8.062 774 2HE2 GLN 100 2HE2 GLN 100 -16.824 -5.661 7.419 775 H THR 101 H THR 101 -10.495 -5.405 6.274 776 HA THR 101 HA THR 101 -10.258 -3.359 8.248 777 HB THR 101 HB THR 101 -8.156 -4.326 6.261 778 HG1 THR 101 HG1 THR 101 -8.991 -6.045 7.409 779 1HG2 THR 101 1HG2 THR 101 -7.387 -2.337 7.439 780 2HG2 THR 101 2HG2 THR 101 -6.620 -3.744 8.193 781 3HG2 THR 101 3HG2 THR 101 -7.990 -2.960 8.992 782 H VAL 102 H VAL 102 -10.153 -3.185 4.635 783 HA VAL 102 HA VAL 102 -9.452 -0.380 4.585 784 HB VAL 102 HB VAL 102 -10.806 -2.229 2.569 785 1HG1 VAL 102 1HG1 VAL 102 -8.671 -2.105 1.412 786 2HG1 VAL 102 2HG1 VAL 102 -8.056 -0.921 2.588 787 3HG1 VAL 102 3HG1 VAL 102 -8.355 -2.593 3.085 788 1HG2 VAL 102 1HG2 VAL 102 -11.613 0.007 2.042 789 2HG2 VAL 102 2HG2 VAL 102 -9.981 0.687 2.240 790 3HG2 VAL 102 3HG2 VAL 102 -10.338 -0.418 0.897 791 H GLU 103 HN GLU 103 -12.552 -2.105 4.263 792 HA GLU 103 HA GLU 103 -14.306 -0.018 3.955 793 1HB GLU 103 2HB GLU 103 -14.563 -2.656 5.446 794 2HB GLU 103 1HB GLU 103 -15.921 -1.557 5.279 795 1HG GLU 103 2HG GLU 103 -14.323 -2.632 2.915 796 2HG GLU 103 1HG GLU 103 -15.815 -3.370 3.521 797 H LYS 104 HN LYS 104 -13.413 -1.361 7.150 798 HA LYS 104 HA LYS 104 -14.893 0.455 8.691 799 1HB LYS 104 2HB LYS 104 -13.290 -0.002 10.523 800 2HB LYS 104 1HB LYS 104 -13.850 -1.470 9.716 801 1HG LYS 104 2HG LYS 104 -11.788 -1.856 8.725 802 2HG LYS 104 1HG LYS 104 -11.283 -0.172 8.797 803 1HD LYS 104 2HD LYS 104 -9.961 -1.427 10.318 804 2HD LYS 104 1HD LYS 104 -10.976 -0.277 11.202 805 1HE LYS 104 2HE LYS 104 -12.560 -2.117 11.780 806 2HE LYS 104 1HE LYS 104 -11.593 -3.259 10.826 807 1HZ LYS 104 1HZ LYS 104 -10.674 -1.811 13.209 808 2HZ LYS 104 2HZ LYS 104 -11.106 -3.400 13.147 809 3HZ LYS 104 3HZ LYS 104 -9.778 -2.877 12.325 810 H TYR 105 H TYR 105 -11.909 1.214 6.925 811 HA TYR 105 HA TYR 105 -11.405 3.633 8.551 812 1HB TYR 105 1HB TYR 105 -10.111 2.782 5.948 813 2HB TYR 105 2HB TYR 105 -9.512 3.931 7.147 814 HD1 TYR 105 HD1 TYR 105 -8.087 1.500 5.878 815 HD2 TYR 105 HD2 TYR 105 -10.017 2.213 9.672 816 HE1 TYR 105 HE1 TYR 105 -6.477 -0.018 6.995 817 HE2 TYR 105 HE2 TYR 105 -8.452 0.656 10.760 818 HH TYR 105 HH TYR 105 -6.288 -0.259 10.473 819 H LEU 106 H LEU 106 -13.274 2.693 5.778 820 HA LEU 106 HA LEU 106 -13.437 5.462 4.715 821 1HB LEU 106 2HB LEU 106 -14.532 2.835 3.644 822 2HB LEU 106 1HB LEU 106 -14.585 4.400 2.829 823 HG LEU 106 HG LEU 106 -12.054 2.824 3.497 824 1HD1 LEU 106 1HD2 LEU 106 -11.532 5.217 3.513 825 2HD1 LEU 106 2HD2 LEU 106 -10.923 4.496 2.021 826 3HD1 LEU 106 3HD2 LEU 106 -12.419 5.452 1.989 827 1HD2 LEU 106 1HD1 LEU 106 -13.425 1.816 1.710 828 2HD2 LEU 106 2HD1 LEU 106 -11.911 2.483 1.070 829 3HD2 LEU 106 3HD1 LEU 106 -13.436 3.364 0.837 830 H ASN 107 H ASN 107 -15.411 2.871 6.190 831 HA ASN 107 HA ASN 107 -17.391 4.775 7.114 832 1HB ASN 107 1HB ASN 107 -19.271 3.511 5.953 833 2HB ASN 107 2HB ASN 107 -18.332 4.615 4.953 834 1HD2 ASN 107 1HD2 ASN 107 -17.226 1.293 5.844 835 2HD2 ASN 107 2HD2 ASN 107 -17.345 0.670 4.185 Start of MODEL 26 1 1H MET 1 1H MET 1 0.464 -2.593 -11.929 2 2H MET 1 2H MET 1 -0.978 -2.752 -11.117 3 3H MET 1 3H MET 1 -0.301 -1.282 -11.240 4 HA MET 1 HA MET 1 -0.568 -1.316 -13.634 5 1HB MET 1 2HB MET 1 -0.619 -3.713 -13.998 6 2HB MET 1 1HB MET 1 -2.042 -3.920 -12.980 7 1HG MET 1 1HG MET 1 -2.608 -4.014 -15.368 8 2HG MET 1 2HG MET 1 -3.416 -2.662 -14.595 9 1HE MET 1 1HE MET 1 -3.514 -2.724 -17.589 10 2HE MET 1 2HE MET 1 -4.031 -1.297 -16.655 11 3HE MET 1 3HE MET 1 -2.955 -1.101 -18.057 12 H GLU 2 HN GLU 2 -3.498 -2.711 -11.995 13 HA GLU 2 HA GLU 2 -4.937 -0.224 -12.349 14 1HB GLU 2 2HB GLU 2 -5.495 -2.567 -10.483 15 2HB GLU 2 1HB GLU 2 -6.619 -1.271 -10.920 16 1HG GLU 2 2HG GLU 2 -6.590 -1.995 -13.275 17 2HG GLU 2 1HG GLU 2 -5.433 -3.278 -12.898 18 H ALA 3 H ALA 3 -3.053 -1.769 -9.774 19 HA ALA 3 HA ALA 3 -3.228 0.625 -8.058 20 1HB ALA 3 1HB ALA 3 -3.320 -1.562 -6.965 21 2HB ALA 3 2HB ALA 3 -1.759 -2.019 -7.707 22 3HB ALA 3 3HB ALA 3 -1.840 -0.722 -6.507 23 H GLY 4 H GLY 4 -1.416 1.864 -7.596 24 1HA GLY 4 2HA GLY 4 0.487 2.458 -9.636 25 2HA GLY 4 1HA GLY 4 0.469 3.087 -8.031 26 H ALA 5 H ALA 5 2.816 2.562 -9.356 27 HA ALA 5 HA ALA 5 4.053 0.520 -7.588 28 1HB ALA 5 1HB ALA 5 4.806 1.151 -10.472 29 2HB ALA 5 2HB ALA 5 4.118 -0.380 -9.871 30 3HB ALA 5 3HB ALA 5 5.733 0.139 -9.342 31 H VAL 6 H VAL 6 5.406 1.666 -6.233 32 HA VAL 6 HA VAL 6 6.370 4.351 -7.158 33 HB VAL 6 HB VAL 6 6.047 5.083 -4.726 34 1HG1 VAL 6 1HG1 VAL 6 4.000 2.826 -4.690 35 2HG1 VAL 6 2HG1 VAL 6 4.265 4.059 -3.442 36 3HG1 VAL 6 3HG1 VAL 6 5.516 2.857 -3.770 37 1HG2 VAL 6 1HG2 VAL 6 3.604 4.629 -6.461 38 2HG2 VAL 6 2HG2 VAL 6 3.743 5.771 -5.105 39 3HG2 VAL 6 3HG2 VAL 6 4.742 5.996 -6.554 40 H ASN 7 H ASN 7 8.062 5.237 -5.907 41 HA ASN 7 HA ASN 7 9.842 3.467 -4.423 42 1HB ASN 7 2HB ASN 7 10.518 4.638 -7.149 43 2HB ASN 7 1HB ASN 7 11.775 4.294 -5.983 44 1HD2 ASN 7 2HD2 ASN 7 11.590 2.053 -4.874 45 2HD2 ASN 7 1HD2 ASN 7 11.299 0.715 -5.955 46 H ASP 8 HN ASP 8 11.806 4.890 -3.806 47 HA ASP 8 HA ASP 8 10.631 7.224 -2.503 48 1HB ASP 8 1HB ASP 8 12.588 7.495 -1.362 49 2HB ASP 8 2HB ASP 8 11.822 5.889 -1.305 50 H ASP 9 HN ASP 9 10.217 8.055 -4.108 51 HA ASP 9 HA ASP 9 11.238 10.588 -4.876 52 1HB ASP 9 1HB ASP 9 12.809 9.409 -6.259 53 2HB ASP 9 2HB ASP 9 11.572 8.426 -7.023 54 H THR 10 H THR 10 9.577 8.181 -6.948 55 HA THR 10 HA THR 10 7.413 9.774 -7.702 56 HB THR 10 HB THR 10 6.362 7.536 -8.260 57 HG1 THR 10 HG1 THR 10 7.878 5.762 -7.957 58 1HG2 THR 10 1HG2 THR 10 7.963 8.684 -9.807 59 2HG2 THR 10 2HG2 THR 10 9.310 7.817 -9.047 60 3HG2 THR 10 3HG2 THR 10 8.063 6.917 -9.924 61 H PHE 11 H PHE 11 7.770 7.607 -4.933 62 HA PHE 11 HA PHE 11 5.308 7.468 -3.762 63 1HB PHE 11 1HB PHE 11 7.554 6.657 -2.945 64 2HB PHE 11 2HB PHE 11 7.867 8.238 -2.296 65 HD1 PHE 11 HD1 PHE 11 6.210 9.133 -0.460 66 HD2 PHE 11 HD2 PHE 11 6.498 4.996 -1.662 67 HE1 PHE 11 HE1 PHE 11 5.310 8.423 1.730 68 HE2 PHE 11 HE2 PHE 11 5.788 4.298 0.599 69 HZ PHE 11 HZ PHE 11 5.182 6.008 2.299 70 H LYS 12 HN LYS 12 7.516 10.221 -3.676 71 HA LYS 12 HA LYS 12 6.143 11.867 -1.782 72 1HB LYS 12 2HB LYS 12 7.791 12.722 -4.201 73 2HB LYS 12 1HB LYS 12 7.343 13.749 -2.844 74 1HG LYS 12 2HG LYS 12 8.660 12.413 -1.289 75 2HG LYS 12 1HG LYS 12 9.002 11.199 -2.535 76 1HD LYS 12 1HD LYS 12 10.182 12.894 -3.899 77 2HD LYS 12 2HD LYS 12 9.916 14.101 -2.623 78 1HE LYS 12 1HE LYS 12 11.209 12.710 -1.026 79 2HE LYS 12 2HE LYS 12 11.424 11.459 -2.267 80 1HZ LYS 12 1HZ LYS 12 12.447 14.204 -2.426 81 2HZ LYS 12 2HZ LYS 12 13.331 12.854 -2.093 82 3HZ LYS 12 3HZ LYS 12 12.636 13.036 -3.574 83 H ASN 13 H ASN 13 5.913 11.740 -5.362 84 HA ASN 13 HA ASN 13 3.865 13.770 -5.513 85 1HB ASN 13 1HB ASN 13 4.632 11.658 -7.565 86 2HB ASN 13 2HB ASN 13 3.786 13.178 -7.848 87 1HD2 ASN 13 2HD2 ASN 13 5.442 15.015 -6.304 88 2HD2 ASN 13 1HD2 ASN 13 6.994 15.023 -7.119 89 H VAL 14 H VAL 14 3.899 10.246 -5.895 90 HA VAL 14 HA VAL 14 1.115 9.992 -6.488 91 HB VAL 14 HB VAL 14 3.312 8.049 -5.660 92 1HG1 VAL 14 1HG1 VAL 14 3.670 9.207 -7.845 93 2HG1 VAL 14 2HG1 VAL 14 3.330 7.490 -8.074 94 3HG1 VAL 14 3HG1 VAL 14 2.058 8.689 -8.371 95 1HG2 VAL 14 1HG2 VAL 14 0.510 7.467 -6.671 96 2HG2 VAL 14 2HG2 VAL 14 1.838 6.290 -6.685 97 3HG2 VAL 14 3HG2 VAL 14 1.250 6.925 -5.140 98 H VAL 15 H VAL 15 2.941 9.460 -3.442 99 HA VAL 15 HA VAL 15 0.458 8.632 -2.064 100 HB VAL 15 HB VAL 15 3.302 8.738 -0.975 101 1HG1 VAL 15 1HG1 VAL 15 2.472 7.177 0.671 102 2HG1 VAL 15 2HG1 VAL 15 0.846 7.226 -0.056 103 3HG1 VAL 15 3HG1 VAL 15 1.530 8.666 0.728 104 1HG2 VAL 15 1HG2 VAL 15 3.265 7.242 -2.943 105 2HG2 VAL 15 2HG2 VAL 15 1.842 6.418 -2.297 106 3HG2 VAL 15 3HG2 VAL 15 3.404 6.324 -1.445 107 H LEU 16 H LEU 16 3.178 10.954 -1.446 108 HA LEU 16 HA LEU 16 1.698 12.102 0.748 109 1HB LEU 16 1HB LEU 16 4.119 13.293 -0.650 110 2HB LEU 16 2HB LEU 16 3.458 13.744 0.910 111 HG LEU 16 HG LEU 16 4.674 11.031 0.203 112 1HD1 LEU 16 1HD1 LEU 16 6.483 11.719 1.697 113 2HD1 LEU 16 2HD1 LEU 16 5.667 13.266 2.016 114 3HD1 LEU 16 3HD1 LEU 16 6.293 12.907 0.394 115 1HD2 LEU 16 1HD2 LEU 16 4.546 10.635 2.694 116 2HD2 LEU 16 2HD2 LEU 16 2.968 10.651 1.906 117 3HD2 LEU 16 3HD2 LEU 16 3.514 12.070 2.830 118 H GLU 17 HN GLU 17 2.533 13.501 -2.478 119 HA GLU 17 HA GLU 17 0.657 15.712 -2.038 120 1HB GLU 17 1HB GLU 17 2.126 14.868 -4.558 121 2HB GLU 17 2HB GLU 17 1.334 16.416 -4.269 122 1HG GLU 17 1HG GLU 17 2.915 16.925 -2.441 123 2HG GLU 17 2HG GLU 17 3.748 15.388 -2.696 124 H SER 18 H SER 18 -0.802 13.388 -1.720 125 HA SER 18 HA SER 18 -2.294 12.901 -4.258 126 1HB SER 18 2HB SER 18 -1.637 10.952 -2.841 127 2HB SER 18 1HB SER 18 -2.628 11.605 -1.521 128 HG SER 18 HG SER 18 -4.140 10.437 -2.530 129 H SER 19 H SER 19 -4.718 12.495 -3.414 130 HA SER 19 HA SER 19 -5.790 14.986 -2.125 131 1HB SER 19 1HB SER 19 -7.742 14.674 -3.738 132 2HB SER 19 2HB SER 19 -6.241 15.272 -4.466 133 HG SER 19 HG SER 19 -5.821 13.256 -5.282 134 H VAL 20 H VAL 20 -7.106 12.008 -3.481 135 HA VAL 20 HA VAL 20 -8.549 11.332 -1.029 136 HB VAL 20 HB VAL 20 -9.345 9.399 -2.294 137 1HG1 VAL 20 1HG2 VAL 20 -8.709 8.994 -4.621 138 2HG1 VAL 20 2HG2 VAL 20 -7.319 8.775 -3.554 139 3HG1 VAL 20 3HG2 VAL 20 -7.460 10.248 -4.537 140 1HG2 VAL 20 1HG1 VAL 20 -10.408 11.617 -2.612 141 2HG2 VAL 20 2HG1 VAL 20 -10.538 10.587 -4.046 142 3HG2 VAL 20 3HG1 VAL 20 -9.364 11.911 -4.020 143 HA PRO 21 HA PRO 21 -5.522 8.927 0.927 144 1HB PRO 21 1HB PRO 21 -7.410 6.580 1.074 145 2HB PRO 21 2HB PRO 21 -6.435 7.282 2.391 146 1HG PRO 21 2HG PRO 21 -9.059 7.813 2.163 147 2HG PRO 21 1HG PRO 21 -7.931 9.126 2.607 148 1HD PRO 21 1HD PRO 21 -9.233 8.628 -0.075 149 2HD PRO 21 2HD PRO 21 -8.859 10.156 0.763 150 H VAL 22 H VAL 22 -4.175 7.050 0.832 151 HA VAL 22 HA VAL 22 -4.130 5.605 -1.775 152 HB VAL 22 HB VAL 22 -1.741 7.029 -0.548 153 1HG1 VAL 22 1HG1 VAL 22 -1.188 5.004 -1.904 154 2HG1 VAL 22 2HG1 VAL 22 -2.112 5.671 -3.256 155 3HG1 VAL 22 3HG1 VAL 22 -0.654 6.497 -2.688 156 1HG2 VAL 22 1HG2 VAL 22 -3.602 7.847 -2.816 157 2HG2 VAL 22 2HG2 VAL 22 -1.975 8.512 -2.598 158 3HG2 VAL 22 3HG2 VAL 22 -3.203 8.753 -1.348 159 H LEU 23 H LEU 23 -4.093 3.504 -1.340 160 HA LEU 23 HA LEU 23 -3.067 2.405 1.184 161 1HB LEU 23 2HB LEU 23 -5.166 1.673 0.020 162 2HB LEU 23 1HB LEU 23 -4.196 0.972 -1.258 163 HG LEU 23 HG LEU 23 -4.078 0.174 1.685 164 1HD1 LEU 23 1HD2 LEU 23 -2.691 -0.966 -0.788 165 2HD1 LEU 23 2HD2 LEU 23 -2.903 -1.881 0.711 166 3HD1 LEU 23 3HD2 LEU 23 -1.934 -0.408 0.726 167 1HD2 LEU 23 1HD1 LEU 23 -5.285 -1.830 0.948 168 2HD2 LEU 23 2HD1 LEU 23 -6.211 -0.375 0.531 169 3HD2 LEU 23 3HD1 LEU 23 -5.299 -1.235 -0.728 170 H VAL 24 H VAL 24 -0.815 2.370 1.217 171 HA VAL 24 HA VAL 24 0.692 1.766 -1.305 172 HB VAL 24 HB VAL 24 1.603 2.968 1.331 173 1HG1 VAL 24 1HG1 VAL 24 3.714 3.412 0.099 174 2HG1 VAL 24 2HG1 VAL 24 3.111 2.479 -1.282 175 3HG1 VAL 24 3HG1 VAL 24 3.429 1.678 0.270 176 1HG2 VAL 24 1HG2 VAL 24 1.314 4.247 -1.423 177 2HG2 VAL 24 2HG2 VAL 24 1.900 5.020 0.044 178 3HG2 VAL 24 3HG2 VAL 24 0.205 4.520 -0.071 179 H ASP 25 HN ASP 25 1.204 -0.328 -1.549 180 HA ASP 25 HA ASP 25 1.486 -2.065 0.877 181 1HB ASP 25 2HB ASP 25 0.038 -2.965 -0.828 182 2HB ASP 25 1HB ASP 25 1.287 -2.734 -2.059 183 H PHE 26 H PHE 26 3.536 -2.046 1.766 184 HA PHE 26 HA PHE 26 5.874 -1.553 0.025 185 1HB PHE 26 2HB PHE 26 5.534 -2.164 2.966 186 2HB PHE 26 1HB PHE 26 7.097 -2.119 2.167 187 HD1 PHE 26 HD1 PHE 26 8.286 -0.123 2.063 188 HD2 PHE 26 HD2 PHE 26 4.007 0.045 2.577 189 HE1 PHE 26 HE1 PHE 26 8.432 2.304 2.483 190 HE2 PHE 26 HE2 PHE 26 4.157 2.475 2.974 191 HZ PHE 26 HZ PHE 26 6.379 3.583 3.116 192 H TRP 27 H TRP 27 6.514 -3.150 -1.279 193 HA TRP 27 HA TRP 27 6.235 -5.993 -0.398 194 1HB TRP 27 1HB TRP 27 5.459 -6.589 -2.575 195 2HB TRP 27 2HB TRP 27 4.481 -5.224 -2.094 196 HD1 TRP 27 HD1 TRP 27 5.518 -2.814 -3.208 197 HE1 TRP 27 HE1 TRP 27 6.665 -2.364 -5.484 198 HE3 TRP 27 HE3 TRP 27 6.466 -7.648 -4.607 199 HZ2 TRP 27 HZ2 TRP 27 8.058 -3.922 -7.475 200 HZ3 TRP 27 HZ3 TRP 27 7.625 -8.113 -6.720 201 HH2 TRP 27 HH2 TRP 27 8.397 -6.269 -8.181 202 H ALA 28 H ALA 28 7.391 -7.309 -2.307 203 HA ALA 28 HA ALA 28 9.617 -6.151 -3.589 204 1HB ALA 28 1HB ALA 28 11.456 -7.355 -2.451 205 2HB ALA 28 2HB ALA 28 10.694 -6.208 -1.339 206 3HB ALA 28 3HB ALA 28 10.322 -7.954 -1.231 207 HA PRO 29 HA PRO 29 8.752 -9.836 -5.913 208 1HB PRO 29 1HB PRO 29 11.284 -10.551 -6.868 209 2HB PRO 29 2HB PRO 29 10.172 -9.336 -7.579 210 1HG PRO 29 2HG PRO 29 12.472 -8.856 -5.660 211 2HG PRO 29 1HG PRO 29 12.089 -7.957 -7.161 212 1HD PRO 29 2HD PRO 29 11.301 -6.896 -4.835 213 2HD PRO 29 1HD PRO 29 10.137 -6.995 -6.145 214 H TRP 30 H TRP 30 11.537 -10.150 -3.657 215 HA TRP 30 HA TRP 30 11.286 -13.053 -3.549 216 1HB TRP 30 1HB TRP 30 12.893 -12.815 -1.666 217 2HB TRP 30 2HB TRP 30 13.421 -12.091 -3.178 218 HD1 TRP 30 HD1 TRP 30 14.221 -9.693 -3.106 219 HE1 TRP 30 HE1 TRP 30 14.298 -7.793 -1.396 220 HE3 TRP 30 HE3 TRP 30 11.458 -11.854 0.642 221 HZ2 TRP 30 HZ2 TRP 30 13.153 -7.209 1.187 222 HZ3 TRP 30 HZ3 TRP 30 10.882 -10.557 2.661 223 HH2 TRP 30 HH2 TRP 30 11.666 -8.218 2.921 224 H CYS 31 H CYS 31 9.332 -10.563 -2.205 225 HA CYS 31 HA CYS 31 8.964 -11.853 0.421 226 1HB CYS 31 2HB CYS 31 8.853 -9.505 0.399 227 2HB CYS 31 1HB CYS 31 7.687 -9.488 -0.922 228 H GLY 32 H GLY 32 8.188 -13.862 0.130 229 1HA GLY 32 1HA GLY 32 6.470 -15.039 -1.544 230 2HA GLY 32 2HA GLY 32 6.483 -15.429 0.174 231 HA PRO 33 HA PRO 33 2.367 -14.052 0.718 232 1HB PRO 33 2HB PRO 33 3.011 -11.643 2.356 233 2HB PRO 33 1HB PRO 33 1.908 -12.993 2.718 234 1HG PRO 33 1HG PRO 33 4.329 -12.771 3.915 235 2HG PRO 33 2HG PRO 33 3.690 -14.372 3.424 236 1HD PRO 33 1HD PRO 33 5.774 -12.723 1.993 237 2HD PRO 33 2HD PRO 33 5.691 -14.491 2.219 238 H CYS 34 H CYS 34 4.521 -11.268 0.285 239 HA CYS 34 HA CYS 34 2.725 -9.364 -0.729 240 1HB CYS 34 2HB CYS 34 5.573 -9.620 -1.708 241 2HB CYS 34 1HB CYS 34 4.480 -8.255 -1.732 242 H ARG 35 HN ARG 35 4.764 -11.767 -2.475 243 HA ARG 35 HA ARG 35 3.936 -11.162 -5.098 244 1HB ARG 35 1HB ARG 35 4.930 -13.700 -3.742 245 2HB ARG 35 2HB ARG 35 4.566 -13.663 -5.457 246 1HG ARG 35 1HG ARG 35 6.450 -11.622 -4.218 247 2HG ARG 35 2HG ARG 35 7.001 -13.234 -4.673 248 1HD ARG 35 1HD ARG 35 5.620 -11.299 -6.599 249 2HD ARG 35 2HD ARG 35 7.358 -11.492 -6.473 250 HE ARG 35 HE ARG 35 5.488 -13.250 -7.795 251 1HH1 ARG 35 1HH2 ARG 35 8.641 -13.167 -6.156 252 2HH1 ARG 35 2HH2 ARG 35 9.278 -14.525 -7.041 253 1HH2 ARG 35 2HH1 ARG 35 6.315 -15.037 -8.926 254 2HH2 ARG 35 1HH1 ARG 35 7.930 -15.617 -8.626 255 H ILE 36 H ILE 36 2.493 -13.569 -2.786 256 HA ILE 36 HA ILE 36 0.526 -14.270 -4.838 257 HB ILE 36 HB ILE 36 -0.499 -15.727 -3.191 258 1HG1 ILE 36 2HG1 ILE 36 0.948 -16.184 -1.085 259 2HG1 ILE 36 1HG1 ILE 36 1.488 -14.524 -1.252 260 1HG2 ILE 36 1HG2 ILE 36 1.376 -17.272 -3.086 261 2HG2 ILE 36 2HG2 ILE 36 1.445 -16.383 -4.611 262 3HG2 ILE 36 3HG2 ILE 36 2.541 -15.950 -3.282 263 1HD1 ILE 36 1HD1 ILE 36 -1.375 -15.549 -0.888 264 2HD1 ILE 36 2HD1 ILE 36 -0.972 -13.837 -1.082 265 3HD1 ILE 36 3HD1 ILE 36 -0.391 -14.722 0.336 266 H ILE 37 H ILE 37 0.487 -11.849 -2.181 267 HA ILE 37 HA ILE 37 -2.391 -11.415 -2.687 268 HB ILE 37 HB ILE 37 -2.292 -9.547 -1.210 269 1HG1 ILE 37 1HG1 ILE 37 0.696 -9.968 -1.093 270 2HG1 ILE 37 2HG1 ILE 37 -0.115 -8.578 -1.800 271 1HG2 ILE 37 1HG2 ILE 37 -2.400 -11.924 -0.346 272 2HG2 ILE 37 2HG2 ILE 37 -0.670 -11.798 0.044 273 3HG2 ILE 37 3HG2 ILE 37 -1.846 -10.727 0.823 274 1HD1 ILE 37 1HD1 ILE 37 -0.002 -9.341 1.130 275 2HD1 ILE 37 2HD1 ILE 37 -1.093 -8.087 0.485 276 3HD1 ILE 37 3HD1 ILE 37 0.668 -7.907 0.342 277 H ALA 38 H ALA 38 0.626 -10.127 -3.988 278 HA ALA 38 HA ALA 38 0.145 -7.722 -4.915 279 1HB ALA 38 1HB ALA 38 1.329 -9.980 -6.600 280 2HB ALA 38 2HB ALA 38 1.473 -8.272 -6.976 281 3HB ALA 38 3HB ALA 38 2.177 -8.903 -5.481 282 HA PRO 39 HA PRO 39 -2.531 -8.822 -8.772 283 1HB PRO 39 2HB PRO 39 -4.022 -11.269 -7.917 284 2HB PRO 39 1HB PRO 39 -3.318 -10.891 -9.510 285 1HG PRO 39 2HG PRO 39 -2.163 -12.745 -7.865 286 2HG PRO 39 1HG PRO 39 -1.151 -11.602 -8.801 287 1HD PRO 39 1HD PRO 39 -2.085 -11.318 -5.928 288 2HD PRO 39 2HD PRO 39 -0.423 -11.233 -6.552 289 H VAL 40 H VAL 40 -3.538 -9.866 -5.553 290 HA VAL 40 HA VAL 40 -6.265 -8.971 -5.636 291 HB VAL 40 HB VAL 40 -4.558 -9.421 -3.148 292 1HG1 VAL 40 1HG1 VAL 40 -6.661 -10.031 -2.152 293 2HG1 VAL 40 2HG1 VAL 40 -7.506 -9.765 -3.698 294 3HG1 VAL 40 3HG1 VAL 40 -6.761 -8.400 -2.835 295 1HG2 VAL 40 1HG2 VAL 40 -6.030 -11.484 -4.855 296 2HG2 VAL 40 2HG2 VAL 40 -5.417 -11.772 -3.213 297 3HG2 VAL 40 3HG2 VAL 40 -4.284 -11.461 -4.526 298 H VAL 41 H VAL 41 -3.171 -7.675 -4.329 299 HA VAL 41 HA VAL 41 -4.142 -5.192 -3.362 300 HB VAL 41 HB VAL 41 -1.448 -5.707 -4.705 301 1HG1 VAL 41 1HG1 VAL 41 -0.551 -6.112 -2.477 302 2HG1 VAL 41 2HG1 VAL 41 -2.157 -5.890 -1.747 303 3HG1 VAL 41 3HG1 VAL 41 -1.833 -7.271 -2.800 304 1HG2 VAL 41 1HG2 VAL 41 -2.344 -3.515 -2.776 305 2HG2 VAL 41 2HG2 VAL 41 -0.672 -3.802 -3.279 306 3HG2 VAL 41 3HG2 VAL 41 -1.865 -3.295 -4.470 307 H ASP 42 HN ASP 42 -3.061 -6.169 -6.653 308 HA ASP 42 HA ASP 42 -3.400 -3.597 -7.794 309 1HB ASP 42 2HB ASP 42 -2.185 -5.637 -8.771 310 2HB ASP 42 1HB ASP 42 -3.753 -6.168 -9.374 311 H GLU 43 HN GLU 43 -5.606 -6.423 -8.179 312 HA GLU 43 HA GLU 43 -7.621 -4.973 -9.508 313 1HB GLU 43 1HB GLU 43 -8.947 -6.879 -9.289 314 2HB GLU 43 2HB GLU 43 -7.294 -7.486 -9.284 315 1HG GLU 43 2HG GLU 43 -7.554 -7.350 -6.647 316 2HG GLU 43 1HG GLU 43 -9.278 -7.254 -6.989 317 H ILE 44 H ILE 44 -7.068 -5.325 -6.006 318 HA ILE 44 HA ILE 44 -9.482 -4.292 -5.009 319 HB ILE 44 HB ILE 44 -6.612 -4.377 -4.107 320 1HG1 ILE 44 1HG1 ILE 44 -9.300 -5.247 -2.905 321 2HG1 ILE 44 2HG1 ILE 44 -8.269 -6.283 -3.888 322 1HG2 ILE 44 1HG2 ILE 44 -6.945 -3.236 -2.086 323 2HG2 ILE 44 2HG2 ILE 44 -7.368 -2.110 -3.359 324 3HG2 ILE 44 3HG2 ILE 44 -8.656 -2.943 -2.439 325 1HD1 ILE 44 1HD1 ILE 44 -7.627 -5.128 -1.148 326 2HD1 ILE 44 2HD1 ILE 44 -6.456 -6.023 -2.146 327 3HD1 ILE 44 3HD1 ILE 44 -7.936 -6.814 -1.553 328 H ALA 45 H ALA 45 -6.809 -2.573 -6.640 329 HA ALA 45 HA ALA 45 -7.547 0.086 -5.986 330 1HB ALA 45 1HB ALA 45 -6.510 -0.863 -8.680 331 2HB ALA 45 2HB ALA 45 -5.466 -0.770 -7.265 332 3HB ALA 45 3HB ALA 45 -6.238 0.703 -7.900 333 H GLY 46 H GLY 46 -8.890 -2.255 -8.329 334 1HA GLY 46 2HA GLY 46 -10.465 -0.298 -9.821 335 2HA GLY 46 1HA GLY 46 -10.511 -2.069 -9.936 336 H GLU 47 HN GLU 47 -10.886 -2.789 -7.273 337 HA GLU 47 HA GLU 47 -13.687 -2.616 -7.013 338 1HB GLU 47 2HB GLU 47 -11.686 -3.097 -4.766 339 2HB GLU 47 1HB GLU 47 -13.420 -3.455 -4.769 340 1HG GLU 47 2HG GLU 47 -12.921 -4.964 -6.811 341 2HG GLU 47 1HG GLU 47 -11.227 -4.772 -6.423 342 H TYR 48 H TYR 48 -11.211 -0.798 -5.194 343 HA TYR 48 HA TYR 48 -13.388 1.020 -4.168 344 1HB TYR 48 1HB TYR 48 -10.610 0.621 -3.042 345 2HB TYR 48 2HB TYR 48 -11.951 1.499 -2.307 346 HD1 TYR 48 HD1 TYR 48 -14.109 0.170 -1.703 347 HD2 TYR 48 HD2 TYR 48 -10.377 -1.690 -2.719 348 HE1 TYR 48 HE1 TYR 48 -15.081 -2.056 -1.190 349 HE2 TYR 48 HE2 TYR 48 -11.334 -3.919 -2.207 350 HH TYR 48 HH TYR 48 -13.437 -4.986 -2.263 351 H LYS 49 HN LYS 49 -12.241 1.311 -6.836 352 HA LYS 49 HA LYS 49 -10.436 3.474 -6.980 353 1HB LYS 49 1HB LYS 49 -11.405 3.838 -9.232 354 2HB LYS 49 2HB LYS 49 -11.118 2.127 -8.907 355 1HG LYS 49 2HG LYS 49 -13.577 1.939 -8.248 356 2HG LYS 49 1HG LYS 49 -13.808 3.579 -8.861 357 1HD LYS 49 1HD LYS 49 -13.093 2.909 -11.097 358 2HD LYS 49 2HD LYS 49 -12.603 1.310 -10.514 359 1HE LYS 49 1HE LYS 49 -15.471 2.353 -10.550 360 2HE LYS 49 2HE LYS 49 -14.753 1.195 -11.684 361 1HZ LYS 49 1HZ LYS 49 -15.213 0.799 -8.819 362 2HZ LYS 49 2HZ LYS 49 -15.897 -0.020 -10.072 363 3HZ LYS 49 3HZ LYS 49 -14.290 -0.209 -9.721 364 H ASP 50 HN ASP 50 -10.915 5.712 -7.524 365 HA ASP 50 HA ASP 50 -11.888 7.746 -7.400 366 1HB ASP 50 2HB ASP 50 -14.030 6.609 -8.146 367 2HB ASP 50 1HB ASP 50 -14.503 6.471 -6.456 368 H LYS 51 HN LYS 51 -13.153 5.727 -4.779 369 HA LYS 51 HA LYS 51 -12.900 7.860 -2.822 370 1HB LYS 51 1HB LYS 51 -13.423 6.084 -1.199 371 2HB LYS 51 2HB LYS 51 -14.645 6.289 -2.443 372 1HG LYS 51 1HG LYS 51 -13.868 4.252 -3.586 373 2HG LYS 51 2HG LYS 51 -12.558 4.053 -2.414 374 1HD LYS 51 2HD LYS 51 -15.518 4.062 -1.683 375 2HD LYS 51 1HD LYS 51 -14.596 2.604 -2.075 376 1HE LYS 51 2HE LYS 51 -13.019 3.088 -0.201 377 2HE LYS 51 1HE LYS 51 -14.002 4.495 0.250 378 1HZ LYS 51 1HZ LYS 51 -14.910 1.708 0.228 379 2HZ LYS 51 2HZ LYS 51 -14.547 2.605 1.552 380 3HZ LYS 51 3HZ LYS 51 -15.838 3.015 0.615 381 H LEU 52 H LEU 52 -10.873 5.127 -3.816 382 HA LEU 52 HA LEU 52 -8.735 6.099 -1.988 383 1HB LEU 52 1HB LEU 52 -10.255 3.682 -1.642 384 2HB LEU 52 2HB LEU 52 -8.756 3.186 -2.414 385 HG LEU 52 HG LEU 52 -7.555 4.554 -0.561 386 1HD1 LEU 52 1HD1 LEU 52 -8.999 4.778 1.511 387 2HD1 LEU 52 2HD1 LEU 52 -10.417 4.381 0.517 388 3HD1 LEU 52 3HD1 LEU 52 -9.512 5.864 0.206 389 1HD2 LEU 52 1HD2 LEU 52 -7.637 2.090 -0.609 390 2HD2 LEU 52 2HD2 LEU 52 -9.241 2.117 0.155 391 3HD2 LEU 52 3HD2 LEU 52 -7.813 2.686 1.051 392 H LYS 53 HN LYS 53 -6.623 5.738 -2.760 393 HA LYS 53 HA LYS 53 -6.357 4.729 -5.556 394 1HB LYS 53 1HB LYS 53 -5.497 7.117 -4.503 395 2HB LYS 53 2HB LYS 53 -4.121 6.096 -4.123 396 1HG LYS 53 1HG LYS 53 -5.336 6.701 -6.858 397 2HG LYS 53 2HG LYS 53 -3.800 7.278 -6.203 398 1HD LYS 53 2HD LYS 53 -3.068 4.792 -6.124 399 2HD LYS 53 1HD LYS 53 -4.529 4.458 -7.089 400 1HE LYS 53 2HE LYS 53 -2.690 4.614 -8.594 401 2HE LYS 53 1HE LYS 53 -3.726 6.028 -8.840 402 1HZ LYS 53 1HZ LYS 53 -2.177 7.299 -7.528 403 2HZ LYS 53 2HZ LYS 53 -1.239 5.969 -7.267 404 3HZ LYS 53 3HZ LYS 53 -1.400 6.581 -8.789 405 H CYS 54 H CYS 54 -4.608 3.027 -5.756 406 HA CYS 54 HA CYS 54 -3.651 1.866 -3.201 407 1HB CYS 54 1HB CYS 54 -5.638 0.522 -3.951 408 2HB CYS 54 2HB CYS 54 -4.826 0.316 -5.530 409 HG CYS 54 HG CYS 54 -4.432 -1.874 -4.401 410 H VAL 55 H VAL 55 -1.506 1.044 -3.403 411 HA VAL 55 HA VAL 55 -0.274 0.871 -5.990 412 HB VAL 55 HB VAL 55 1.366 2.582 -5.787 413 1HG1 VAL 55 1HG2 VAL 55 0.366 3.169 -3.062 414 2HG1 VAL 55 2HG2 VAL 55 1.605 4.116 -3.943 415 3HG1 VAL 55 3HG2 VAL 55 1.955 2.449 -3.490 416 1HG2 VAL 55 1HG1 VAL 55 -1.118 4.029 -4.717 417 2HG2 VAL 55 2HG1 VAL 55 0.225 4.762 -5.587 418 3HG2 VAL 55 3HG1 VAL 55 -0.871 3.687 -6.441 419 H LYS 56 HN LYS 56 2.207 0.416 -5.640 420 HA LYS 56 HA LYS 56 2.697 -0.668 -2.945 421 1HB LYS 56 2HB LYS 56 3.321 -2.852 -3.809 422 2HB LYS 56 1HB LYS 56 1.681 -2.418 -4.258 423 1HG LYS 56 1HG LYS 56 2.393 -1.849 -6.549 424 2HG LYS 56 2HG LYS 56 4.068 -2.238 -6.135 425 1HD LYS 56 2HD LYS 56 3.050 -4.108 -7.300 426 2HD LYS 56 1HD LYS 56 3.406 -4.584 -5.631 427 1HE LYS 56 2HE LYS 56 1.060 -4.382 -4.997 428 2HE LYS 56 1HE LYS 56 0.652 -3.607 -6.545 429 1HZ LYS 56 1HZ LYS 56 0.040 -5.904 -6.490 430 2HZ LYS 56 2HZ LYS 56 1.594 -6.353 -6.168 431 3HZ LYS 56 3HZ LYS 56 1.216 -5.664 -7.618 432 H LEU 57 H LEU 57 4.684 -0.580 -2.199 433 HA LEU 57 HA LEU 57 6.690 0.989 -3.751 434 1HB LEU 57 1HB LEU 57 5.823 1.984 -1.686 435 2HB LEU 57 2HB LEU 57 6.329 0.559 -0.763 436 HG LEU 57 HG LEU 57 7.656 2.553 -0.417 437 1HD1 LEU 57 1HD1 LEU 57 7.664 3.346 -2.811 438 2HD1 LEU 57 2HD1 LEU 57 8.802 2.027 -3.165 439 3HD1 LEU 57 3HD1 LEU 57 9.257 3.326 -2.034 440 1HD2 LEU 57 1HD2 LEU 57 8.486 0.096 -0.155 441 2HD2 LEU 57 2HD2 LEU 57 9.664 1.422 -0.124 442 3HD2 LEU 57 3HD2 LEU 57 9.451 0.440 -1.577 443 H ASN 58 H ASN 58 8.416 -0.080 -4.551 444 HA ASN 58 HA ASN 58 8.938 -2.851 -3.709 445 1HB ASN 58 1HB ASN 58 9.262 -2.187 -6.049 446 2HB ASN 58 2HB ASN 58 10.552 -1.084 -5.561 447 1HD2 ASN 58 2HD2 ASN 58 9.997 -4.218 -6.689 448 2HD2 ASN 58 1HD2 ASN 58 11.510 -4.924 -6.152 449 H THR 59 H THR 59 9.707 -3.118 -1.782 450 HA THR 59 HA THR 59 11.063 -1.146 -0.211 451 HB THR 59 HB THR 59 10.768 -4.152 0.279 452 HG1 THR 59 HG1 THR 59 8.771 -3.316 -0.155 453 1HG2 THR 59 1HG2 THR 59 12.258 -3.065 1.900 454 2HG2 THR 59 2HG2 THR 59 11.059 -1.780 2.165 455 3HG2 THR 59 3HG2 THR 59 10.704 -3.450 2.657 456 H ASP 60 HN ASP 60 12.184 -3.706 -2.329 457 HA ASP 60 HA ASP 60 14.807 -4.048 -1.165 458 1HB ASP 60 1HB ASP 60 13.373 -5.565 -2.704 459 2HB ASP 60 2HB ASP 60 13.975 -4.592 -4.044 460 H GLU 61 HN GLU 61 13.388 -2.204 -3.780 461 HA GLU 61 HA GLU 61 15.814 -0.789 -4.560 462 1HB GLU 61 2HB GLU 61 14.036 -1.537 -6.138 463 2HB GLU 61 1HB GLU 61 12.884 -0.480 -5.317 464 1HG GLU 61 1HG GLU 61 13.662 0.534 -7.404 465 2HG GLU 61 2HG GLU 61 14.170 1.514 -6.030 466 H SER 62 H SER 62 12.999 -0.133 -2.488 467 HA SER 62 HA SER 62 14.045 2.583 -1.822 468 1HB SER 62 1HB SER 62 11.142 1.713 -2.213 469 2HB SER 62 2HB SER 62 11.735 3.228 -1.538 470 HG SER 62 HG SER 62 13.020 3.478 -3.478 471 HA PRO 63 HA PRO 63 13.656 -0.220 1.971 472 1HB PRO 63 2HB PRO 63 16.276 -0.095 2.761 473 2HB PRO 63 1HB PRO 63 15.666 -1.204 1.507 474 1HG PRO 63 1HG PRO 63 17.078 1.392 0.979 475 2HG PRO 63 2HG PRO 63 17.425 -0.223 0.306 476 1HD PRO 63 1HD PRO 63 15.839 1.513 -1.052 477 2HD PRO 63 2HD PRO 63 15.465 -0.220 -1.020 478 H ASN 64 H ASN 64 15.421 2.545 1.140 479 HA ASN 64 HA ASN 64 15.879 4.133 3.337 480 1HB ASN 64 2HB ASN 64 14.674 4.932 0.659 481 2HB ASN 64 1HB ASN 64 15.110 6.118 1.890 482 1HD2 ASN 64 2HD2 ASN 64 16.254 5.978 -0.770 483 2HD2 ASN 64 1HD2 ASN 64 17.964 5.608 -0.558 484 H VAL 65 H VAL 65 12.821 4.689 1.622 485 HA VAL 65 HA VAL 65 11.563 6.116 3.695 486 HB VAL 65 HB VAL 65 10.566 4.531 1.286 487 1HG1 VAL 65 1HG2 VAL 65 8.428 5.776 1.557 488 2HG1 VAL 65 2HG2 VAL 65 8.987 6.298 3.169 489 3HG1 VAL 65 3HG2 VAL 65 8.693 4.575 2.825 490 1HG2 VAL 65 1HG1 VAL 65 10.288 6.794 0.355 491 2HG2 VAL 65 2HG1 VAL 65 10.791 7.517 1.898 492 3HG2 VAL 65 3HG1 VAL 65 11.958 6.600 0.934 493 H ALA 66 H ALA 66 11.469 2.699 2.887 494 HA ALA 66 HA ALA 66 9.555 1.832 4.817 495 1HB ALA 66 1HB ALA 66 10.525 -0.398 4.518 496 2HB ALA 66 2HB ALA 66 11.975 0.273 3.790 497 3HB ALA 66 3HB ALA 66 10.425 0.429 2.950 498 H SER 67 H SER 67 13.063 2.426 5.113 499 HA SER 67 HA SER 67 13.268 1.465 7.832 500 1HB SER 67 1HB SER 67 15.128 3.359 6.325 501 2HB SER 67 2HB SER 67 15.492 2.422 7.779 502 HG SER 67 HG SER 67 14.777 1.345 5.239 503 H GLU 68 HN GLU 68 12.895 4.656 6.294 504 HA GLU 68 HA GLU 68 12.968 6.246 8.654 505 1HB GLU 68 1HB GLU 68 11.378 6.645 6.072 506 2HB GLU 68 2HB GLU 68 11.533 7.847 7.343 507 1HG GLU 68 2HG GLU 68 13.882 6.680 5.774 508 2HG GLU 68 1HG GLU 68 13.120 8.243 5.475 509 H TYR 69 H TYR 69 10.214 4.569 7.104 510 HA TYR 69 HA TYR 69 8.363 5.401 9.207 511 1HB TYR 69 2HB TYR 69 8.250 3.433 6.897 512 2HB TYR 69 1HB TYR 69 6.992 3.464 8.117 513 HD1 TYR 69 HD1 TYR 69 5.993 5.855 8.723 514 HD2 TYR 69 HD2 TYR 69 7.869 4.817 4.991 515 HE1 TYR 69 HE1 TYR 69 5.095 7.927 7.696 516 HE2 TYR 69 HE2 TYR 69 6.937 6.882 3.957 517 HH TYR 69 HH TYR 69 5.920 8.903 4.360 518 H GLY 70 H GLY 70 10.376 2.521 8.637 519 1HA GLY 70 1HA GLY 70 11.357 1.343 10.443 520 2HA GLY 70 2HA GLY 70 10.038 1.812 11.517 521 H ILE 71 H ILE 71 10.109 0.312 8.255 522 HA ILE 71 HA ILE 71 8.098 -1.669 9.035 523 HB ILE 71 HB ILE 71 9.721 -1.274 6.493 524 1HG1 ILE 71 2HG1 ILE 71 6.906 -0.436 7.353 525 2HG1 ILE 71 1HG1 ILE 71 8.266 0.631 6.988 526 1HG2 ILE 71 1HG2 ILE 71 7.269 -3.012 7.001 527 2HG2 ILE 71 2HG2 ILE 71 8.912 -3.621 6.725 528 3HG2 ILE 71 3HG2 ILE 71 8.069 -2.773 5.438 529 1HD1 ILE 71 1HD1 ILE 71 6.982 0.731 5.061 530 2HD1 ILE 71 2HD1 ILE 71 8.255 -0.425 4.641 531 3HD1 ILE 71 3HD1 ILE 71 6.629 -1.007 5.060 532 H ARG 72 HN ARG 72 8.735 -3.335 10.329 533 HA ARG 72 HA ARG 72 11.496 -4.182 10.419 534 1HB ARG 72 1HB ARG 72 10.876 -5.603 12.137 535 2HB ARG 72 2HB ARG 72 9.984 -4.115 12.410 536 1HG ARG 72 2HG ARG 72 8.609 -6.475 11.047 537 2HG ARG 72 1HG ARG 72 8.978 -6.537 12.744 538 1HD ARG 72 2HD ARG 72 6.712 -5.820 12.542 539 2HD ARG 72 1HD ARG 72 7.699 -4.549 13.252 540 HE ARG 72 HE ARG 72 6.994 -3.170 11.612 541 1HH1 ARG 72 1HH2 ARG 72 6.696 -6.470 10.344 542 2HH1 ARG 72 2HH2 ARG 72 6.224 -5.925 8.745 543 1HH2 ARG 72 1HH1 ARG 72 6.013 -2.531 9.644 544 2HH2 ARG 72 2HH1 ARG 72 5.640 -3.724 8.421 545 H SER 73 H SER 73 8.603 -5.333 8.719 546 HA SER 73 HA SER 73 10.207 -7.049 7.044 547 1HB SER 73 1HB SER 73 7.955 -8.394 8.592 548 2HB SER 73 2HB SER 73 9.135 -9.145 7.517 549 HG SER 73 HG SER 73 10.666 -8.129 9.252 550 H ILE 74 H ILE 74 8.848 -7.813 5.220 551 HA ILE 74 HA ILE 74 6.413 -6.155 4.866 552 HB ILE 74 HB ILE 74 6.958 -6.448 2.366 553 1HG1 ILE 74 2HG1 ILE 74 9.817 -6.686 3.298 554 2HG1 ILE 74 1HG1 ILE 74 8.871 -8.105 2.810 555 1HG2 ILE 74 1HG2 ILE 74 7.031 -4.337 3.716 556 2HG2 ILE 74 2HG2 ILE 74 8.721 -4.694 4.134 557 3HG2 ILE 74 3HG2 ILE 74 8.255 -4.361 2.457 558 1HD1 ILE 74 1HD1 ILE 74 10.152 -7.206 0.922 559 2HD1 ILE 74 2HD1 ILE 74 8.406 -7.148 0.628 560 3HD1 ILE 74 3HD1 ILE 74 9.292 -5.673 1.046 561 HA PRO 75 HA PRO 75 4.780 -6.504 2.630 562 1HB PRO 75 2HB PRO 75 2.133 -6.924 2.962 563 2HB PRO 75 1HB PRO 75 3.091 -7.880 1.816 564 1HG PRO 75 2HG PRO 75 2.450 -8.595 4.706 565 2HG PRO 75 1HG PRO 75 2.112 -9.585 3.260 566 1HD PRO 75 1HD PRO 75 4.355 -9.976 4.741 567 2HD PRO 75 2HD PRO 75 4.477 -10.003 2.962 568 H THR 76 H THR 76 3.581 -4.671 3.235 569 HA THR 76 HA THR 76 2.514 -4.313 5.902 570 HB THR 76 HB THR 76 5.104 -2.916 5.151 571 HG1 THR 76 HG1 THR 76 4.941 -5.020 6.426 572 1HG2 THR 76 1HG2 THR 76 3.491 -1.241 6.063 573 2HG2 THR 76 2HG2 THR 76 4.771 -1.599 7.232 574 3HG2 THR 76 3HG2 THR 76 3.169 -2.328 7.434 575 H ILE 77 H ILE 77 0.643 -3.583 5.104 576 HA ILE 77 HA ILE 77 0.626 -1.730 2.791 577 HB ILE 77 HB ILE 77 -1.762 -1.948 2.774 578 1HG1 ILE 77 1HG1 ILE 77 -1.526 -3.898 5.084 579 2HG1 ILE 77 2HG1 ILE 77 -2.221 -2.272 5.184 580 1HG2 ILE 77 1HG2 ILE 77 -0.471 -4.715 2.944 581 2HG2 ILE 77 2HG2 ILE 77 -1.870 -4.249 1.952 582 3HG2 ILE 77 3HG2 ILE 77 -0.279 -3.595 1.583 583 1HD1 ILE 77 1HD1 ILE 77 -4.026 -3.808 5.034 584 2HD1 ILE 77 2HD1 ILE 77 -3.335 -4.610 3.619 585 3HD1 ILE 77 3HD1 ILE 77 -3.935 -2.938 3.489 586 H MET 78 H MET 78 0.275 0.389 3.116 587 HA MET 78 HA MET 78 -0.372 1.357 5.871 588 1HB MET 78 2HB MET 78 1.321 2.803 3.843 589 2HB MET 78 1HB MET 78 0.964 3.300 5.496 590 1HG MET 78 2HG MET 78 2.146 1.141 6.226 591 2HG MET 78 1HG MET 78 2.750 1.039 4.581 592 1HE MET 78 1HE MET 78 5.791 2.005 6.819 593 2HE MET 78 2HE MET 78 4.887 0.717 5.992 594 3HE MET 78 3HE MET 78 4.359 1.283 7.594 595 H VAL 79 H VAL 79 -1.613 3.221 5.863 596 HA VAL 79 HA VAL 79 -3.074 3.835 3.298 597 HB VAL 79 HB VAL 79 -4.101 3.809 6.142 598 1HG1 VAL 79 1HG1 VAL 79 -4.812 2.111 3.701 599 2HG1 VAL 79 2HG1 VAL 79 -5.675 2.074 5.251 600 3HG1 VAL 79 3HG1 VAL 79 -3.989 1.545 5.170 601 1HG2 VAL 79 1HG2 VAL 79 -6.294 4.423 5.061 602 2HG2 VAL 79 2HG2 VAL 79 -5.450 4.611 3.510 603 3HG2 VAL 79 3HG2 VAL 79 -5.086 5.698 4.865 604 H PHE 80 H PHE 80 -2.446 5.778 2.615 605 HA PHE 80 HA PHE 80 -1.616 7.862 4.599 606 1HB PHE 80 1HB PHE 80 -0.819 7.326 1.727 607 2HB PHE 80 2HB PHE 80 -0.453 8.836 2.556 608 HD1 PHE 80 HD1 PHE 80 0.467 5.279 2.266 609 HD2 PHE 80 HD2 PHE 80 1.146 8.949 4.416 610 HE1 PHE 80 HE1 PHE 80 2.665 4.427 3.066 611 HE2 PHE 80 HE2 PHE 80 3.178 7.988 5.427 612 HZ PHE 80 HZ PHE 80 3.957 5.714 4.749 613 H LYS 81 HN LYS 81 -2.293 10.037 4.143 614 HA LYS 81 HA LYS 81 -4.047 10.694 1.986 615 1HB LYS 81 1HB LYS 81 -6.095 11.016 3.089 616 2HB LYS 81 2HB LYS 81 -5.618 9.394 3.567 617 1HG LYS 81 2HG LYS 81 -5.543 11.935 5.251 618 2HG LYS 81 1HG LYS 81 -6.587 10.524 5.426 619 1HD LYS 81 2HD LYS 81 -4.410 9.177 5.809 620 2HD LYS 81 1HD LYS 81 -3.620 10.732 6.069 621 1HE LYS 81 2HE LYS 81 -5.987 9.679 7.667 622 2HE LYS 81 1HE LYS 81 -4.300 9.782 8.200 623 1HZ LYS 81 1HZ LYS 81 -5.558 11.609 9.006 624 2HZ LYS 81 2HZ LYS 81 -4.410 12.145 7.952 625 3HZ LYS 81 3HZ LYS 81 -5.988 12.067 7.482 626 H GLY 82 H GLY 82 -4.448 13.078 2.059 627 1HA GLY 82 2HA GLY 82 -3.669 15.225 2.479 628 2HA GLY 82 1HA GLY 82 -3.975 14.720 4.160 629 H GLY 83 H GLY 83 -1.366 13.438 2.063 630 1HA GLY 83 2HA GLY 83 0.903 13.468 2.297 631 2HA GLY 83 1HA GLY 83 0.735 15.062 3.030 632 H LYS 84 HN LYS 84 -0.857 12.365 4.641 633 HA LYS 84 HA LYS 84 1.396 11.890 6.498 634 1HB LYS 84 2HB LYS 84 -1.431 12.692 7.327 635 2HB LYS 84 1HB LYS 84 -0.142 12.218 8.436 636 1HG LYS 84 2HG LYS 84 -0.106 14.686 6.655 637 2HG LYS 84 1HG LYS 84 -0.550 14.670 8.355 638 1HD LYS 84 2HD LYS 84 1.651 13.986 9.067 639 2HD LYS 84 1HD LYS 84 2.197 13.723 7.408 640 1HE LYS 84 1HE LYS 84 1.392 16.433 8.538 641 2HE LYS 84 2HE LYS 84 3.048 15.837 8.317 642 1HZ LYS 84 1HZ LYS 84 2.491 17.149 6.475 643 2HZ LYS 84 2HZ LYS 84 1.081 16.342 6.206 644 3HZ LYS 84 3HZ LYS 84 2.512 15.578 5.955 645 H LYS 85 HN LYS 85 0.784 10.065 8.023 646 HA LYS 85 HA LYS 85 -0.471 7.914 6.423 647 1HB LYS 85 1HB LYS 85 1.860 7.762 7.516 648 2HB LYS 85 2HB LYS 85 0.986 7.585 9.046 649 1HG LYS 85 2HG LYS 85 -0.165 5.556 8.127 650 2HG LYS 85 1HG LYS 85 0.570 5.861 6.545 651 1HD LYS 85 2HD LYS 85 1.777 4.094 7.583 652 2HD LYS 85 1HD LYS 85 2.830 5.515 7.546 653 1HE LYS 85 1HE LYS 85 2.247 5.945 9.954 654 2HE LYS 85 2HE LYS 85 1.215 4.505 9.945 655 1HZ LYS 85 1HZ LYS 85 3.158 3.203 9.437 656 2HZ LYS 85 2HZ LYS 85 4.111 4.546 9.457 657 3HZ LYS 85 3HZ LYS 85 3.369 4.044 10.839 658 H CYS 86 H CYS 86 -2.032 6.541 7.382 659 HA CYS 86 HA CYS 86 -3.748 7.769 9.508 660 1HB CYS 86 2HB CYS 86 -4.745 7.422 7.211 661 2HB CYS 86 1HB CYS 86 -4.479 5.694 7.390 662 HG CYS 86 HG CYS 86 -6.774 5.631 8.074 663 H GLU 87 HN GLU 87 -2.895 4.542 8.177 664 HA GLU 87 HA GLU 87 -1.915 3.529 10.670 665 1HB GLU 87 2HB GLU 87 -3.753 1.573 10.550 666 2HB GLU 87 1HB GLU 87 -3.919 3.010 11.545 667 1HG GLU 87 2HG GLU 87 -5.981 2.362 10.362 668 2HG GLU 87 1HG GLU 87 -5.485 4.016 10.073 669 H THR 88 H THR 88 -1.718 0.915 10.306 670 HA THR 88 HA THR 88 -1.152 0.218 7.586 671 HB THR 88 HB THR 88 0.865 1.521 8.069 672 HG1 THR 88 HG1 THR 88 1.073 -0.646 7.117 673 1HG2 THR 88 1HG2 THR 88 1.203 -0.180 10.582 674 2HG2 THR 88 2HG2 THR 88 2.384 0.973 9.940 675 3HG2 THR 88 3HG2 THR 88 0.823 1.557 10.535 676 H ILE 89 H ILE 89 -0.634 -2.071 7.386 677 HA ILE 89 HA ILE 89 -0.864 -3.791 9.756 678 HB ILE 89 HB ILE 89 -2.942 -3.639 7.511 679 1HG1 ILE 89 1HG1 ILE 89 -3.472 -2.193 9.428 680 2HG1 ILE 89 2HG1 ILE 89 -4.606 -3.510 9.258 681 1HG2 ILE 89 1HG2 ILE 89 -4.005 -5.667 8.579 682 2HG2 ILE 89 2HG2 ILE 89 -2.528 -5.982 7.685 683 3HG2 ILE 89 3HG2 ILE 89 -2.491 -5.932 9.463 684 1HD1 ILE 89 1HD1 ILE 89 -3.587 -4.746 11.115 685 2HD1 ILE 89 2HD1 ILE 89 -4.084 -3.124 11.604 686 3HD1 ILE 89 3HD1 ILE 89 -2.376 -3.464 11.331 687 H ILE 90 H ILE 90 -0.316 -6.039 9.180 688 HA ILE 90 HA ILE 90 1.692 -6.208 7.019 689 HB ILE 90 HB ILE 90 0.732 -8.161 9.148 690 1HG1 ILE 90 1HG1 ILE 90 3.268 -6.465 8.853 691 2HG1 ILE 90 2HG1 ILE 90 1.958 -6.178 10.005 692 1HG2 ILE 90 1HG2 ILE 90 2.638 -9.564 8.485 693 2HG2 ILE 90 2HG2 ILE 90 3.080 -8.414 7.209 694 3HG2 ILE 90 3HG2 ILE 90 1.571 -9.347 7.114 695 1HD1 ILE 90 1HD1 ILE 90 3.728 -7.214 11.200 696 2HD1 ILE 90 2HD1 ILE 90 2.433 -8.419 11.043 697 3HD1 ILE 90 3HD1 ILE 90 3.890 -8.519 10.020 698 H GLY 91 H GLY 91 0.989 -6.506 5.029 699 1HA GLY 91 1HA GLY 91 -1.606 -7.077 4.244 700 2HA GLY 91 2HA GLY 91 -0.189 -7.192 3.206 701 H ALA 92 H ALA 92 0.629 -9.554 5.304 702 HA ALA 92 HA ALA 92 -0.246 -11.663 3.570 703 1HB ALA 92 1HB ALA 92 1.033 -11.748 6.340 704 2HB ALA 92 2HB ALA 92 0.963 -13.081 5.169 705 3HB ALA 92 3HB ALA 92 1.915 -11.628 4.806 706 H VAL 93 H VAL 93 -2.664 -10.861 3.930 707 HA VAL 93 HA VAL 93 -3.912 -12.829 5.707 708 HB VAL 93 HB VAL 93 -5.549 -11.198 6.541 709 1HG1 VAL 93 1HG2 VAL 93 -3.809 -9.052 5.256 710 2HG1 VAL 93 2HG2 VAL 93 -5.183 -8.768 6.341 711 3HG1 VAL 93 3HG2 VAL 93 -5.455 -9.501 4.762 712 1HG2 VAL 93 1HG1 VAL 93 -4.208 -10.094 8.210 713 2HG2 VAL 93 2HG1 VAL 93 -3.536 -11.706 7.906 714 3HG2 VAL 93 3HG1 VAL 93 -2.741 -10.263 7.234 715 HA PRO 94 HA PRO 94 -6.361 -13.441 2.109 716 1HB PRO 94 1HB PRO 94 -8.836 -13.295 3.835 717 2HB PRO 94 2HB PRO 94 -8.408 -14.533 2.620 718 1HG PRO 94 1HG PRO 94 -8.068 -15.059 5.259 719 2HG PRO 94 2HG PRO 94 -6.784 -15.505 4.094 720 1HD PRO 94 1HD PRO 94 -6.892 -13.092 5.915 721 2HD PRO 94 2HD PRO 94 -5.542 -14.205 5.563 722 H LYS 95 HN LYS 95 -7.740 -12.476 0.588 723 HA LYS 95 HA LYS 95 -7.820 -9.772 0.246 724 1HB LYS 95 1HB LYS 95 -8.348 -11.542 -1.452 725 2HB LYS 95 2HB LYS 95 -9.893 -11.849 -0.677 726 1HG LYS 95 1HG LYS 95 -10.660 -9.552 -1.177 727 2HG LYS 95 2HG LYS 95 -9.094 -9.176 -1.904 728 1HD LYS 95 2HD LYS 95 -9.499 -10.999 -3.603 729 2HD LYS 95 1HD LYS 95 -11.079 -11.303 -2.854 730 1HE LYS 95 2HE LYS 95 -11.762 -8.962 -3.324 731 2HE LYS 95 1HE LYS 95 -10.180 -8.640 -4.059 732 1HZ LYS 95 1HZ LYS 95 -12.109 -10.626 -5.039 733 2HZ LYS 95 2HZ LYS 95 -10.668 -10.210 -5.745 734 3HZ LYS 95 3HZ LYS 95 -11.880 -9.105 -5.643 735 H ALA 96 H ALA 96 -10.450 -11.789 1.438 736 HA ALA 96 HA ALA 96 -12.415 -9.876 2.005 737 1HB ALA 96 1HB ALA 96 -11.707 -12.351 3.657 738 2HB ALA 96 2HB ALA 96 -12.786 -12.301 2.245 739 3HB ALA 96 3HB ALA 96 -13.238 -11.452 3.736 740 H THR 97 H THR 97 -9.748 -10.977 4.192 741 HA THR 97 HA THR 97 -10.361 -9.224 6.321 742 HB THR 97 HB THR 97 -7.602 -10.274 5.587 743 HG1 THR 97 HG1 THR 97 -9.788 -11.646 6.769 744 1HG2 THR 97 1HG2 THR 97 -9.035 -9.843 8.252 745 2HG2 THR 97 2HG2 THR 97 -7.735 -8.828 7.591 746 3HG2 THR 97 3HG2 THR 97 -7.404 -10.509 8.047 747 H ILE 98 H ILE 98 -8.132 -8.879 3.485 748 HA ILE 98 HA ILE 98 -7.075 -6.336 4.172 749 HB ILE 98 HB ILE 98 -7.704 -7.481 1.398 750 1HG1 ILE 98 1HG1 ILE 98 -6.081 -8.831 2.710 751 2HG1 ILE 98 2HG1 ILE 98 -5.462 -8.151 1.219 752 1HG2 ILE 98 1HG2 ILE 98 -7.479 -5.073 1.184 753 2HG2 ILE 98 2HG2 ILE 98 -6.064 -5.050 2.243 754 3HG2 ILE 98 3HG2 ILE 98 -5.967 -5.809 0.639 755 1HD1 ILE 98 1HD1 ILE 98 -4.216 -6.438 2.416 756 2HD1 ILE 98 2HD1 ILE 98 -3.833 -8.036 3.052 757 3HD1 ILE 98 3HD1 ILE 98 -4.904 -6.967 3.974 758 H VAL 99 H VAL 99 -10.008 -7.118 2.231 759 HA VAL 99 HA VAL 99 -10.831 -4.453 1.753 760 HB VAL 99 HB VAL 99 -12.442 -7.036 2.007 761 1HG1 VAL 99 1HG2 VAL 99 -13.310 -4.285 1.019 762 2HG1 VAL 99 2HG2 VAL 99 -14.002 -5.184 2.382 763 3HG1 VAL 99 3HG2 VAL 99 -14.212 -5.790 0.739 764 1HG2 VAL 99 1HG1 VAL 99 -10.778 -6.932 0.129 765 2HG2 VAL 99 2HG1 VAL 99 -11.525 -5.426 -0.409 766 3HG2 VAL 99 3HG1 VAL 99 -12.451 -6.941 -0.447 767 H GLN 100 H GLN 100 -11.939 -6.695 4.380 768 HA GLN 100 HA GLN 100 -13.571 -4.768 5.700 769 1HB GLN 100 2HB GLN 100 -11.966 -7.095 6.863 770 2HB GLN 100 1HB GLN 100 -13.219 -6.198 7.726 771 1HG GLN 100 2HG GLN 100 -13.662 -7.889 5.221 772 2HG GLN 100 1HG GLN 100 -14.081 -8.324 6.877 773 1HE2 GLN 100 1HE2 GLN 100 -14.765 -6.042 4.229 774 2HE2 GLN 100 2HE2 GLN 100 -16.417 -5.696 4.738 775 H THR 101 H THR 101 -10.142 -5.512 6.171 776 HA THR 101 HA THR 101 -9.585 -3.730 8.291 777 HB THR 101 HB THR 101 -7.811 -4.657 5.986 778 HG1 THR 101 HG1 THR 101 -8.568 -6.324 7.254 779 1HG2 THR 101 1HG2 THR 101 -7.058 -3.402 8.651 780 2HG2 THR 101 2HG2 THR 101 -5.940 -4.190 7.509 781 3HG2 THR 101 3HG2 THR 101 -6.774 -2.706 7.031 782 H VAL 102 H VAL 102 -9.436 -3.101 4.698 783 HA VAL 102 HA VAL 102 -8.704 -0.340 5.036 784 HB VAL 102 HB VAL 102 -10.061 -1.907 2.839 785 1HG1 VAL 102 1HG1 VAL 102 -7.608 -2.286 3.275 786 2HG1 VAL 102 2HG1 VAL 102 -7.939 -1.605 1.672 787 3HG1 VAL 102 3HG1 VAL 102 -7.329 -0.558 2.971 788 1HG2 VAL 102 1HG2 VAL 102 -9.660 0.047 1.336 789 2HG2 VAL 102 2HG2 VAL 102 -10.915 0.355 2.533 790 3HG2 VAL 102 3HG2 VAL 102 -9.286 1.036 2.765 791 H GLU 103 HN GLU 103 -11.891 -1.868 4.474 792 HA GLU 103 HA GLU 103 -13.412 0.467 4.463 793 1HB GLU 103 2HB GLU 103 -14.131 -2.351 5.372 794 2HB GLU 103 1HB GLU 103 -15.302 -1.051 5.145 795 1HG GLU 103 2HG GLU 103 -13.496 -2.123 2.927 796 2HG GLU 103 1HG GLU 103 -15.189 -2.553 3.176 797 H LYS 104 HN LYS 104 -12.642 -1.511 7.355 798 HA LYS 104 HA LYS 104 -14.173 0.071 9.145 799 1HB LYS 104 2HB LYS 104 -12.747 -0.793 10.939 800 2HB LYS 104 1HB LYS 104 -13.247 -2.075 9.832 801 1HG LYS 104 2HG LYS 104 -11.103 -2.283 8.942 802 2HG LYS 104 1HG LYS 104 -10.570 -0.689 9.466 803 1HD LYS 104 2HD LYS 104 -9.462 -2.354 10.767 804 2HD LYS 104 1HD LYS 104 -10.547 -1.410 11.799 805 1HE LYS 104 1HE LYS 104 -12.229 -3.244 11.725 806 2HE LYS 104 2HE LYS 104 -11.196 -4.161 10.611 807 1HZ LYS 104 1HZ LYS 104 -10.508 -3.415 13.366 808 2HZ LYS 104 2HZ LYS 104 -9.549 -4.270 12.334 809 3HZ LYS 104 3HZ LYS 104 -10.975 -4.910 12.855 810 H TYR 105 H TYR 105 -11.180 0.985 7.536 811 HA TYR 105 HA TYR 105 -10.671 3.166 9.506 812 1HB TYR 105 2HB TYR 105 -9.123 2.333 7.038 813 2HB TYR 105 1HB TYR 105 -8.606 3.461 8.287 814 HD1 TYR 105 HD1 TYR 105 -7.360 0.752 7.093 815 HD2 TYR 105 HD2 TYR 105 -9.370 1.836 10.756 816 HE1 TYR 105 HE1 TYR 105 -6.001 -0.886 8.336 817 HE2 TYR 105 HE2 TYR 105 -8.105 0.089 11.962 818 HH TYR 105 HH TYR 105 -5.599 -1.889 10.374 819 H LEU 106 H LEU 106 -12.880 2.803 7.178 820 HA LEU 106 HA LEU 106 -12.681 5.627 6.233 821 1HB LEU 106 2HB LEU 106 -13.579 3.188 4.645 822 2HB LEU 106 1HB LEU 106 -13.628 4.862 4.079 823 HG LEU 106 HG LEU 106 -11.081 3.329 4.790 824 1HD1 LEU 106 1HD2 LEU 106 -10.814 5.802 4.995 825 2HD1 LEU 106 2HD2 LEU 106 -11.471 6.001 3.359 826 3HD1 LEU 106 3HD2 LEU 106 -9.925 5.164 3.616 827 1HD2 LEU 106 1HD1 LEU 106 -10.725 3.110 2.405 828 2HD2 LEU 106 2HD1 LEU 106 -12.291 2.398 2.809 829 3HD2 LEU 106 3HD1 LEU 106 -12.222 4.002 2.052 830 H ASN 107 H ASN 107 -14.810 2.790 6.495 831 HA ASN 107 HA ASN 107 -16.844 4.115 8.017 832 1HB ASN 107 2HB ASN 107 -17.411 5.069 5.817 833 2HB ASN 107 1HB ASN 107 -17.386 3.465 5.078 834 1HD2 ASN 107 1HD2 ASN 107 -18.891 1.848 6.279 835 2HD2 ASN 107 2HD2 ASN 107 -20.542 2.447 6.585 Start of MODEL 27 1 1H MET 1 1H MET 1 -7.208 5.567 -7.216 2 2H MET 1 2H MET 1 -7.278 3.941 -7.041 3 3H MET 1 3H MET 1 -7.757 4.611 -8.471 4 HA MET 1 HA MET 1 -5.598 5.058 -9.096 5 1HB MET 1 1HB MET 1 -4.948 6.023 -6.897 6 2HB MET 1 2HB MET 1 -4.885 4.406 -6.190 7 1HG MET 1 2HG MET 1 -2.647 5.327 -6.746 8 2HG MET 1 1HG MET 1 -2.987 3.800 -7.539 9 1HE MET 1 1HE MET 1 -2.858 7.867 -9.706 10 2HE MET 1 2HE MET 1 -4.274 7.413 -8.736 11 3HE MET 1 3HE MET 1 -2.691 7.648 -7.950 12 H GLU 2 HN GLU 2 -4.184 3.407 -9.945 13 HA GLU 2 HA GLU 2 -5.139 0.622 -9.546 14 1HB GLU 2 2HB GLU 2 -3.968 0.181 -11.666 15 2HB GLU 2 1HB GLU 2 -5.252 1.382 -11.828 16 1HG GLU 2 1HG GLU 2 -3.589 3.214 -11.857 17 2HG GLU 2 2HG GLU 2 -2.278 2.062 -11.563 18 H ALA 3 H ALA 3 -3.365 -1.076 -9.477 19 HA ALA 3 HA ALA 3 -1.456 -0.549 -7.482 20 1HB ALA 3 1HB ALA 3 -1.663 -2.834 -9.494 21 2HB ALA 3 2HB ALA 3 -0.713 -2.853 -7.995 22 3HB ALA 3 3HB ALA 3 -2.474 -2.746 -7.919 23 H GLY 4 H GLY 4 -0.490 1.430 -8.609 24 1HA GLY 4 2HA GLY 4 1.463 0.979 -10.697 25 2HA GLY 4 1HA GLY 4 1.315 2.420 -9.678 26 H ALA 5 H ALA 5 3.746 1.007 -10.481 27 HA ALA 5 HA ALA 5 4.787 -0.161 -7.966 28 1HB ALA 5 1HB ALA 5 6.849 -0.449 -9.213 29 2HB ALA 5 2HB ALA 5 5.468 -1.225 -10.023 30 3HB ALA 5 3HB ALA 5 6.117 0.321 -10.643 31 H VAL 6 H VAL 6 5.194 1.353 -6.497 32 HA VAL 6 HA VAL 6 6.138 4.080 -7.316 33 HB VAL 6 HB VAL 6 5.761 4.548 -4.776 34 1HG1 VAL 6 1HG1 VAL 6 3.837 3.425 -3.785 35 2HG1 VAL 6 2HG1 VAL 6 5.138 2.279 -4.075 36 3HG1 VAL 6 3HG1 VAL 6 3.732 2.306 -5.158 37 1HG2 VAL 6 1HG2 VAL 6 3.450 4.322 -6.719 38 2HG2 VAL 6 2HG2 VAL 6 4.568 5.698 -6.539 39 3HG2 VAL 6 3HG2 VAL 6 3.472 5.275 -5.216 40 H ASN 7 H ASN 7 7.876 5.006 -6.100 41 HA ASN 7 HA ASN 7 9.696 3.179 -4.724 42 1HB ASN 7 2HB ASN 7 10.362 3.034 -7.055 43 2HB ASN 7 1HB ASN 7 10.439 4.798 -7.225 44 1HD2 ASN 7 2HD2 ASN 7 11.654 2.682 -4.516 45 2HD2 ASN 7 1HD2 ASN 7 13.334 2.838 -4.943 46 H ASP 8 HN ASP 8 11.564 4.695 -3.992 47 HA ASP 8 HA ASP 8 10.753 6.397 -2.065 48 1HB ASP 8 1HB ASP 8 13.119 5.633 -2.586 49 2HB ASP 8 2HB ASP 8 13.241 6.918 -3.774 50 H ASP 9 HN ASP 9 11.635 7.479 -5.288 51 HA ASP 9 HA ASP 9 10.946 10.240 -4.973 52 1HB ASP 9 2HB ASP 9 12.360 9.522 -6.797 53 2HB ASP 9 1HB ASP 9 11.113 8.473 -7.462 54 H THR 10 H THR 10 9.143 8.045 -7.143 55 HA THR 10 HA THR 10 6.872 9.569 -7.453 56 HB THR 10 HB THR 10 5.784 7.294 -7.988 57 HG1 THR 10 HG1 THR 10 7.470 5.639 -8.153 58 1HG2 THR 10 1HG2 THR 10 6.925 8.701 -9.680 59 2HG2 THR 10 2HG2 THR 10 8.482 7.960 -9.266 60 3HG2 THR 10 3HG2 THR 10 7.191 6.978 -9.989 61 H PHE 11 H PHE 11 7.444 7.231 -4.863 62 HA PHE 11 HA PHE 11 5.077 6.936 -3.526 63 1HB PHE 11 1HB PHE 11 7.234 6.066 -2.807 64 2HB PHE 11 2HB PHE 11 7.834 7.660 -2.461 65 HD1 PHE 11 HD1 PHE 11 5.126 5.267 -1.431 66 HD2 PHE 11 HD2 PHE 11 7.737 8.497 -0.266 67 HE1 PHE 11 HE1 PHE 11 4.379 5.026 0.922 68 HE2 PHE 11 HE2 PHE 11 7.003 8.240 2.080 69 HZ PHE 11 HZ PHE 11 5.321 6.516 2.680 70 H LYS 12 HN LYS 12 7.222 9.691 -3.395 71 HA LYS 12 HA LYS 12 5.967 11.325 -1.458 72 1HB LYS 12 1HB LYS 12 7.370 12.124 -4.046 73 2HB LYS 12 2HB LYS 12 6.845 13.247 -2.810 74 1HG LYS 12 1HG LYS 12 8.392 12.302 -1.177 75 2HG LYS 12 2HG LYS 12 8.669 10.872 -2.179 76 1HD LYS 12 1HD LYS 12 10.599 12.297 -2.318 77 2HD LYS 12 2HD LYS 12 9.799 12.199 -3.892 78 1HE LYS 12 2HE LYS 12 8.766 14.419 -3.537 79 2HE LYS 12 1HE LYS 12 9.490 14.512 -1.917 80 1HZ LYS 12 1HZ LYS 12 11.640 14.446 -2.959 81 2HZ LYS 12 2HZ LYS 12 10.753 15.706 -3.544 82 3HZ LYS 12 3HZ LYS 12 10.958 14.350 -4.457 83 H ASN 13 H ASN 13 5.522 11.630 -5.010 84 HA ASN 13 HA ASN 13 3.323 13.449 -4.797 85 1HB ASN 13 1HB ASN 13 4.347 11.669 -7.049 86 2HB ASN 13 2HB ASN 13 3.090 12.883 -7.258 87 1HD2 ASN 13 1HD2 ASN 13 3.679 15.161 -6.187 88 2HD2 ASN 13 2HD2 ASN 13 5.286 15.719 -6.587 89 H VAL 14 H VAL 14 3.616 9.992 -5.107 90 HA VAL 14 HA VAL 14 0.755 9.648 -5.791 91 HB VAL 14 HB VAL 14 3.129 7.737 -5.552 92 1HG1 VAL 14 1HG1 VAL 14 1.687 8.880 -7.994 93 2HG1 VAL 14 2HG1 VAL 14 3.299 9.375 -7.450 94 3HG1 VAL 14 3HG1 VAL 14 3.037 7.729 -8.028 95 1HG2 VAL 14 1HG2 VAL 14 1.187 6.404 -5.214 96 2HG2 VAL 14 2HG2 VAL 14 1.679 6.193 -6.902 97 3HG2 VAL 14 3HG2 VAL 14 0.299 7.248 -6.514 98 H VAL 15 H VAL 15 2.575 9.609 -2.840 99 HA VAL 15 HA VAL 15 0.200 8.374 -1.493 100 HB VAL 15 HB VAL 15 3.096 7.952 -0.662 101 1HG1 VAL 15 1HG1 VAL 15 0.519 6.520 0.077 102 2HG1 VAL 15 2HG1 VAL 15 2.136 6.211 0.742 103 3HG1 VAL 15 3HG1 VAL 15 1.330 7.749 1.080 104 1HG2 VAL 15 1HG2 VAL 15 2.811 5.634 -1.535 105 2HG2 VAL 15 2HG2 VAL 15 2.903 6.854 -2.806 106 3HG2 VAL 15 3HG2 VAL 15 1.331 6.163 -2.359 107 H LEU 16 H LEU 16 3.229 10.149 -0.653 108 HA LEU 16 HA LEU 16 2.163 11.324 1.694 109 1HB LEU 16 1HB LEU 16 4.388 12.347 -0.109 110 2HB LEU 16 2HB LEU 16 4.026 12.894 1.503 111 HG LEU 16 HG LEU 16 5.007 10.118 0.675 112 1HD1 LEU 16 1HD1 LEU 16 6.995 10.723 1.989 113 2HD1 LEU 16 2HD1 LEU 16 6.261 12.278 2.426 114 3HD1 LEU 16 3HD1 LEU 16 6.701 11.944 0.740 115 1HD2 LEU 16 1HD2 LEU 16 5.140 9.653 3.154 116 2HD2 LEU 16 2HD2 LEU 16 4.163 11.108 3.435 117 3HD2 LEU 16 3HD2 LEU 16 3.492 9.729 2.531 118 H GLU 17 HN GLU 17 2.205 12.523 -1.605 119 HA GLU 17 HA GLU 17 0.760 14.991 -0.844 120 1HB GLU 17 2HB GLU 17 2.669 14.818 -2.509 121 2HB GLU 17 1HB GLU 17 1.539 14.029 -3.618 122 1HG GLU 17 2HG GLU 17 0.133 16.049 -3.655 123 2HG GLU 17 1HG GLU 17 1.172 16.811 -2.437 124 H SER 18 H SER 18 -0.344 11.786 -1.409 125 HA SER 18 HA SER 18 -2.546 12.458 -3.172 126 1HB SER 18 2HB SER 18 -1.835 9.993 -1.560 127 2HB SER 18 1HB SER 18 -3.294 10.142 -2.538 128 HG SER 18 HG SER 18 -1.369 9.296 -3.668 129 H SER 19 H SER 19 -4.576 13.106 -2.629 130 HA SER 19 HA SER 19 -5.279 13.779 0.100 131 1HB SER 19 2HB SER 19 -7.420 14.430 -1.221 132 2HB SER 19 1HB SER 19 -5.913 15.281 -1.630 133 HG SER 19 HG SER 19 -6.957 14.504 -3.523 134 H VAL 20 H VAL 20 -6.583 11.661 -2.461 135 HA VAL 20 HA VAL 20 -8.457 10.351 -0.699 136 HB VAL 20 HB VAL 20 -8.858 8.814 -2.604 137 1HG1 VAL 20 1HG2 VAL 20 -6.610 8.618 -3.563 138 2HG1 VAL 20 2HG2 VAL 20 -7.779 9.163 -4.768 139 3HG1 VAL 20 3HG2 VAL 20 -6.646 10.325 -4.058 140 1HG2 VAL 20 1HG1 VAL 20 -9.758 10.496 -4.139 141 2HG2 VAL 20 2HG1 VAL 20 -8.721 11.750 -3.434 142 3HG2 VAL 20 3HG1 VAL 20 -10.011 11.009 -2.462 143 HA PRO 21 HA PRO 21 -5.827 7.475 1.063 144 1HB PRO 21 1HB PRO 21 -7.760 5.201 0.755 145 2HB PRO 21 2HB PRO 21 -7.072 5.834 2.256 146 1HG PRO 21 1HG PRO 21 -9.601 6.285 1.450 147 2HG PRO 21 2HG PRO 21 -8.709 7.534 2.354 148 1HD PRO 21 1HD PRO 21 -9.325 7.519 -0.634 149 2HD PRO 21 2HD PRO 21 -9.190 8.842 0.555 150 H VAL 22 H VAL 22 -4.504 5.673 0.840 151 HA VAL 22 HA VAL 22 -4.652 4.092 -1.492 152 HB VAL 22 HB VAL 22 -1.992 4.903 -1.820 153 1HG1 VAL 22 1HG2 VAL 22 -3.682 4.260 -3.573 154 2HG1 VAL 22 2HG2 VAL 22 -4.577 5.752 -3.284 155 3HG1 VAL 22 3HG2 VAL 22 -2.960 5.826 -3.985 156 1HG2 VAL 22 1HG1 VAL 22 -2.398 6.890 -0.431 157 2HG2 VAL 22 2HG1 VAL 22 -3.636 7.425 -1.596 158 3HG2 VAL 22 3HG1 VAL 22 -1.957 7.246 -2.110 159 H LEU 23 H LEU 23 -4.000 2.037 -1.371 160 HA LEU 23 HA LEU 23 -2.788 1.278 1.191 161 1HB LEU 23 2HB LEU 23 -4.888 0.285 0.205 162 2HB LEU 23 1HB LEU 23 -3.907 -0.415 -1.070 163 HG LEU 23 HG LEU 23 -2.554 -1.540 0.791 164 1HD1 LEU 23 1HD2 LEU 23 -5.479 -2.281 0.372 165 2HD1 LEU 23 2HD2 LEU 23 -4.126 -2.712 -0.697 166 3HD1 LEU 23 3HD2 LEU 23 -4.200 -3.377 0.939 167 1HD2 LEU 23 1HD1 LEU 23 -5.044 -0.686 2.368 168 2HD2 LEU 23 2HD1 LEU 23 -3.359 -0.266 2.751 169 3HD2 LEU 23 3HD1 LEU 23 -3.918 -1.935 2.908 170 H VAL 24 H VAL 24 -0.578 1.600 1.007 171 HA VAL 24 HA VAL 24 0.759 0.851 -1.568 172 HB VAL 24 HB VAL 24 1.454 2.948 -1.104 173 1HG1 VAL 24 1HG2 VAL 24 0.520 3.380 1.035 174 2HG1 VAL 24 2HG2 VAL 24 1.636 2.228 1.817 175 3HG1 VAL 24 3HG2 VAL 24 2.251 3.739 1.099 176 1HG2 VAL 24 1HG1 VAL 24 3.320 1.347 -1.481 177 2HG2 VAL 24 2HG1 VAL 24 3.568 1.248 0.275 178 3HG2 VAL 24 3HG1 VAL 24 3.798 2.790 -0.562 179 H ASP 25 HN ASP 25 1.286 -1.203 -1.674 180 HA ASP 25 HA ASP 25 1.872 -2.770 0.774 181 1HB ASP 25 1HB ASP 25 0.490 -3.852 -0.894 182 2HB ASP 25 2HB ASP 25 1.693 -3.527 -2.150 183 H PHE 26 H PHE 26 3.916 -2.618 1.568 184 HA PHE 26 HA PHE 26 6.184 -1.788 -0.124 185 1HB PHE 26 2HB PHE 26 5.955 -2.649 2.772 186 2HB PHE 26 1HB PHE 26 7.473 -2.359 1.959 187 HD1 PHE 26 HD1 PHE 26 4.172 -0.465 2.260 188 HD2 PHE 26 HD2 PHE 26 8.484 -0.351 2.507 189 HE1 PHE 26 HE1 PHE 26 4.086 1.915 2.879 190 HE2 PHE 26 HE2 PHE 26 8.362 1.942 3.387 191 HZ PHE 26 HZ PHE 26 6.165 3.126 3.500 192 H TRP 27 H TRP 27 6.733 -3.357 -1.562 193 HA TRP 27 HA TRP 27 6.635 -6.231 -0.733 194 1HB TRP 27 2HB TRP 27 5.813 -6.829 -2.877 195 2HB TRP 27 1HB TRP 27 4.813 -5.502 -2.343 196 HD1 TRP 27 HD1 TRP 27 5.631 -3.032 -3.412 197 HE1 TRP 27 HE1 TRP 27 6.763 -2.413 -5.655 198 HE3 TRP 27 HE3 TRP 27 6.831 -7.738 -5.034 199 HZ2 TRP 27 HZ2 TRP 27 8.294 -3.794 -7.679 200 HZ3 TRP 27 HZ3 TRP 27 7.977 -8.040 -7.185 201 HH2 TRP 27 HH2 TRP 27 8.734 -6.086 -8.509 202 H ALA 28 H ALA 28 7.815 -7.401 -2.808 203 HA ALA 28 HA ALA 28 9.968 -6.045 -4.030 204 1HB ALA 28 1HB ALA 28 10.795 -7.968 -1.806 205 2HB ALA 28 2HB ALA 28 11.880 -7.217 -2.984 206 3HB ALA 28 3HB ALA 28 11.067 -6.207 -1.780 207 HA PRO 29 HA PRO 29 9.270 -9.732 -6.493 208 1HB PRO 29 1HB PRO 29 11.781 -10.281 -7.541 209 2HB PRO 29 2HB PRO 29 10.631 -9.033 -8.129 210 1HG PRO 29 1HG PRO 29 12.957 -8.628 -6.214 211 2HG PRO 29 2HG PRO 29 12.565 -7.675 -7.679 212 1HD PRO 29 2HD PRO 29 11.736 -6.727 -5.304 213 2HD PRO 29 1HD PRO 29 10.596 -6.776 -6.644 214 H TRP 30 H TRP 30 12.037 -9.836 -4.208 215 HA TRP 30 HA TRP 30 11.955 -12.751 -4.016 216 1HB TRP 30 2HB TRP 30 13.521 -12.338 -2.116 217 2HB TRP 30 1HB TRP 30 14.030 -11.714 -3.674 218 HD1 TRP 30 HD1 TRP 30 14.826 -9.318 -3.763 219 HE1 TRP 30 HE1 TRP 30 14.971 -7.332 -2.128 220 HE3 TRP 30 HE3 TRP 30 12.041 -11.229 0.099 221 HZ2 TRP 30 HZ2 TRP 30 13.878 -6.615 0.428 222 HZ3 TRP 30 HZ3 TRP 30 11.604 -9.865 2.105 223 HH2 TRP 30 HH2 TRP 30 12.393 -7.521 2.231 224 H CYS 31 H CYS 31 9.707 -10.470 -2.955 225 HA CYS 31 HA CYS 31 9.375 -11.526 -0.231 226 1HB CYS 31 2HB CYS 31 9.012 -9.165 -0.694 227 2HB CYS 31 1HB CYS 31 7.734 -9.585 -1.843 228 H GLY 32 H GLY 32 9.039 -13.747 -0.815 229 1HA GLY 32 1HA GLY 32 7.147 -15.023 -2.275 230 2HA GLY 32 2HA GLY 32 7.519 -15.518 -0.620 231 HA PRO 33 HA PRO 33 3.469 -14.516 0.577 232 1HB PRO 33 2HB PRO 33 3.943 -12.293 2.444 233 2HB PRO 33 1HB PRO 33 3.274 -13.898 2.769 234 1HG PRO 33 1HG PRO 33 5.812 -13.226 3.573 235 2HG PRO 33 2HG PRO 33 5.394 -14.871 3.011 236 1HD PRO 33 2HD PRO 33 6.730 -12.668 1.435 237 2HD PRO 33 1HD PRO 33 7.146 -14.397 1.528 238 H CYS 34 H CYS 34 5.264 -11.678 -0.589 239 HA CYS 34 HA CYS 34 3.035 -9.867 -0.826 240 1HB CYS 34 1HB CYS 34 5.471 -9.891 -2.510 241 2HB CYS 34 2HB CYS 34 4.264 -8.672 -2.318 242 H ARG 35 HN ARG 35 4.817 -12.158 -2.965 243 HA ARG 35 HA ARG 35 3.574 -11.764 -5.403 244 1HB ARG 35 1HB ARG 35 4.435 -14.409 -4.151 245 2HB ARG 35 2HB ARG 35 4.115 -14.131 -5.855 246 1HG ARG 35 2HG ARG 35 5.992 -12.541 -6.006 247 2HG ARG 35 1HG ARG 35 6.322 -12.745 -4.276 248 1HD ARG 35 2HD ARG 35 6.626 -15.201 -4.654 249 2HD ARG 35 1HD ARG 35 6.459 -14.917 -6.403 250 HE ARG 35 HE ARG 35 8.471 -13.168 -5.476 251 1HH1 ARG 35 2HH2 ARG 35 7.956 -16.659 -5.709 252 2HH1 ARG 35 1HH2 ARG 35 9.654 -17.033 -5.844 253 1HH2 ARG 35 1HH1 ARG 35 10.599 -13.608 -5.678 254 2HH2 ARG 35 2HH1 ARG 35 11.230 -15.242 -5.826 255 H ILE 36 H ILE 36 2.475 -13.892 -2.749 256 HA ILE 36 HA ILE 36 0.139 -14.732 -4.294 257 HB ILE 36 HB ILE 36 -0.466 -16.020 -2.246 258 1HG1 ILE 36 2HG1 ILE 36 1.483 -16.456 -0.667 259 2HG1 ILE 36 1HG1 ILE 36 2.182 -14.926 -1.176 260 1HG2 ILE 36 1HG2 ILE 36 0.847 -16.900 -4.160 261 2HG2 ILE 36 2HG2 ILE 36 1.311 -17.654 -2.634 262 3HG2 ILE 36 3HG2 ILE 36 2.350 -16.408 -3.351 263 1HD1 ILE 36 1HD1 ILE 36 -0.565 -15.403 0.120 264 2HD1 ILE 36 2HD1 ILE 36 0.872 -14.749 0.928 265 3HD1 ILE 36 3HD1 ILE 36 0.060 -13.808 -0.333 266 H ILE 37 H ILE 37 0.647 -11.933 -2.208 267 HA ILE 37 HA ILE 37 -2.335 -11.617 -2.072 268 HB ILE 37 HB ILE 37 -1.940 -9.530 -0.909 269 1HG1 ILE 37 1HG1 ILE 37 0.962 -10.345 -0.755 270 2HG1 ILE 37 2HG1 ILE 37 0.363 -9.059 -1.826 271 1HG2 ILE 37 1HG2 ILE 37 -0.469 -11.775 0.516 272 2HG2 ILE 37 2HG2 ILE 37 -2.225 -11.795 0.239 273 3HG2 ILE 37 3HG2 ILE 37 -1.504 -10.503 1.199 274 1HD1 ILE 37 1HD1 ILE 37 -0.507 -7.859 0.181 275 2HD1 ILE 37 2HD1 ILE 37 1.259 -8.033 0.133 276 3HD1 ILE 37 3HD1 ILE 37 0.307 -9.076 1.205 277 H ALA 38 H ALA 38 0.493 -10.549 -3.932 278 HA ALA 38 HA ALA 38 -0.227 -8.344 -5.194 279 1HB ALA 38 1HB ALA 38 0.589 -10.815 -6.771 280 2HB ALA 38 2HB ALA 38 0.846 -9.121 -7.209 281 3HB ALA 38 3HB ALA 38 1.697 -9.805 -5.810 282 HA PRO 39 HA PRO 39 -3.506 -10.289 -8.174 283 1HB PRO 39 1HB PRO 39 -4.810 -12.376 -6.471 284 2HB PRO 39 2HB PRO 39 -4.418 -12.437 -8.210 285 1HG PRO 39 1HG PRO 39 -2.956 -13.871 -6.406 286 2HG PRO 39 2HG PRO 39 -2.131 -13.001 -7.741 287 1HD PRO 39 2HD PRO 39 -2.625 -12.012 -4.922 288 2HD PRO 39 1HD PRO 39 -1.081 -12.129 -5.725 289 H VAL 40 H VAL 40 -3.976 -10.388 -4.639 290 HA VAL 40 HA VAL 40 -6.660 -9.258 -4.614 291 HB VAL 40 HB VAL 40 -4.474 -9.539 -2.471 292 1HG1 VAL 40 1HG2 VAL 40 -6.237 -8.807 -0.867 293 2HG1 VAL 40 2HG2 VAL 40 -5.527 -7.520 -1.832 294 3HG1 VAL 40 3HG2 VAL 40 -7.132 -8.134 -2.258 295 1HG2 VAL 40 1HG1 VAL 40 -5.590 -11.547 -3.195 296 2HG2 VAL 40 2HG1 VAL 40 -6.092 -11.080 -1.545 297 3HG2 VAL 40 3HG1 VAL 40 -7.178 -10.771 -2.940 298 H VAL 41 H VAL 41 -3.302 -8.082 -4.211 299 HA VAL 41 HA VAL 41 -4.049 -5.478 -3.589 300 HB VAL 41 HB VAL 41 -1.540 -6.416 -5.088 301 1HG1 VAL 41 1HG1 VAL 41 -1.910 -5.881 -2.106 302 2HG1 VAL 41 2HG1 VAL 41 -0.428 -6.434 -2.916 303 3HG1 VAL 41 3HG1 VAL 41 -1.829 -7.491 -2.823 304 1HG2 VAL 41 1HG2 VAL 41 -1.709 -4.025 -5.345 305 2HG2 VAL 41 2HG2 VAL 41 -0.486 -4.364 -4.114 306 3HG2 VAL 41 3HG2 VAL 41 -2.096 -3.812 -3.617 307 H ASP 42 HN ASP 42 -3.154 -6.862 -6.782 308 HA ASP 42 HA ASP 42 -3.720 -4.573 -8.370 309 1HB ASP 42 1HB ASP 42 -3.950 -7.496 -9.137 310 2HB ASP 42 2HB ASP 42 -3.833 -6.088 -10.231 311 H GLU 43 HN GLU 43 -5.796 -7.435 -7.623 312 HA GLU 43 HA GLU 43 -8.051 -6.635 -9.074 313 1HB GLU 43 2HB GLU 43 -7.997 -8.832 -7.907 314 2HB GLU 43 1HB GLU 43 -7.885 -7.910 -6.374 315 1HG GLU 43 1HG GLU 43 -10.121 -8.890 -6.700 316 2HG GLU 43 2HG GLU 43 -10.057 -7.151 -6.396 317 H ILE 44 H ILE 44 -7.256 -5.917 -5.635 318 HA ILE 44 HA ILE 44 -9.508 -4.279 -5.089 319 HB ILE 44 HB ILE 44 -6.681 -4.383 -3.981 320 1HG1 ILE 44 2HG1 ILE 44 -8.612 -6.144 -3.683 321 2HG1 ILE 44 1HG1 ILE 44 -7.606 -5.692 -2.292 322 1HG2 ILE 44 1HG2 ILE 44 -8.940 -2.581 -3.115 323 2HG2 ILE 44 2HG2 ILE 44 -7.307 -2.100 -3.623 324 3HG2 ILE 44 3HG2 ILE 44 -7.527 -2.979 -2.098 325 1HD1 ILE 44 1HD1 ILE 44 -10.029 -5.908 -1.805 326 2HD1 ILE 44 2HD1 ILE 44 -10.371 -4.583 -2.923 327 3HD1 ILE 44 3HD1 ILE 44 -9.423 -4.284 -1.444 328 H ALA 45 H ALA 45 -6.324 -3.447 -6.471 329 HA ALA 45 HA ALA 45 -6.742 -0.678 -6.865 330 1HB ALA 45 1HB ALA 45 -4.837 -2.612 -7.695 331 2HB ALA 45 2HB ALA 45 -4.816 -0.871 -7.944 332 3HB ALA 45 3HB ALA 45 -5.479 -1.936 -9.197 333 H GLY 46 H GLY 46 -7.736 -3.485 -8.859 334 1HA GLY 46 2HA GLY 46 -9.066 -2.069 -10.941 335 2HA GLY 46 1HA GLY 46 -9.391 -3.730 -10.422 336 H GLU 47 HN GLU 47 -10.514 -3.731 -8.045 337 HA GLU 47 HA GLU 47 -13.129 -3.143 -8.269 338 1HB GLU 47 1HB GLU 47 -11.414 -2.976 -5.750 339 2HB GLU 47 2HB GLU 47 -13.171 -2.985 -5.773 340 1HG GLU 47 1HG GLU 47 -13.207 -5.224 -6.779 341 2HG GLU 47 2HG GLU 47 -11.439 -5.239 -6.819 342 H TYR 48 H TYR 48 -10.748 -0.910 -6.832 343 HA TYR 48 HA TYR 48 -12.854 1.254 -6.938 344 1HB TYR 48 1HB TYR 48 -10.543 1.257 -5.021 345 2HB TYR 48 2HB TYR 48 -12.126 2.067 -4.972 346 HD1 TYR 48 HD1 TYR 48 -14.156 0.900 -4.282 347 HD2 TYR 48 HD2 TYR 48 -10.276 -0.937 -4.028 348 HE1 TYR 48 HE1 TYR 48 -14.973 -0.582 -2.464 349 HE2 TYR 48 HE2 TYR 48 -11.151 -2.515 -2.304 350 HH TYR 48 HH TYR 48 -14.500 -2.387 -1.111 351 H LYS 49 HN LYS 49 -10.744 0.482 -8.986 352 HA LYS 49 HA LYS 49 -8.594 2.056 -9.271 353 1HB LYS 49 1HB LYS 49 -8.994 1.983 -11.714 354 2HB LYS 49 2HB LYS 49 -9.333 0.433 -10.943 355 1HG LYS 49 1HG LYS 49 -11.806 1.147 -10.917 356 2HG LYS 49 2HG LYS 49 -11.323 2.457 -12.026 357 1HD LYS 49 1HD LYS 49 -10.353 0.671 -13.542 358 2HD LYS 49 2HD LYS 49 -11.100 -0.535 -12.475 359 1HE LYS 49 2HE LYS 49 -12.515 1.649 -14.082 360 2HE LYS 49 1HE LYS 49 -12.604 -0.100 -14.347 361 1HZ LYS 49 1HZ LYS 49 -13.634 1.379 -12.019 362 2HZ LYS 49 2HZ LYS 49 -13.650 -0.265 -12.167 363 3HZ LYS 49 3HZ LYS 49 -14.522 0.670 -13.209 364 H ASP 50 HN ASP 50 -11.853 3.128 -10.002 365 HA ASP 50 HA ASP 50 -11.703 5.545 -11.101 366 1HB ASP 50 1HB ASP 50 -13.468 4.611 -8.797 367 2HB ASP 50 2HB ASP 50 -13.782 6.059 -9.772 368 H LYS 51 HN LYS 51 -11.132 5.023 -7.634 369 HA LYS 51 HA LYS 51 -9.812 7.716 -7.529 370 1HB LYS 51 1HB LYS 51 -11.630 6.943 -5.190 371 2HB LYS 51 2HB LYS 51 -10.813 8.422 -5.553 372 1HG LYS 51 1HG LYS 51 -12.937 9.039 -6.063 373 2HG LYS 51 2HG LYS 51 -12.329 8.604 -7.658 374 1HD LYS 51 1HD LYS 51 -14.587 7.765 -7.332 375 2HD LYS 51 2HD LYS 51 -13.486 6.393 -7.450 376 1HE LYS 51 2HE LYS 51 -13.598 5.959 -5.077 377 2HE LYS 51 1HE LYS 51 -14.443 7.493 -4.783 378 1HZ LYS 51 1HZ LYS 51 -15.480 5.219 -6.322 379 2HZ LYS 51 2HZ LYS 51 -15.914 5.630 -4.787 380 3HZ LYS 51 3HZ LYS 51 -16.278 6.634 -6.041 381 H LEU 52 H LEU 52 -10.681 4.859 -5.673 382 HA LEU 52 HA LEU 52 -8.971 5.666 -3.521 383 1HB LEU 52 1HB LEU 52 -11.286 4.968 -3.322 384 2HB LEU 52 2HB LEU 52 -10.887 3.405 -4.040 385 HG LEU 52 HG LEU 52 -9.861 2.725 -1.998 386 1HD1 LEU 52 1HD1 LEU 52 -8.974 5.008 -1.214 387 2HD1 LEU 52 2HD1 LEU 52 -9.962 4.222 0.028 388 3HD1 LEU 52 3HD1 LEU 52 -10.643 5.509 -0.995 389 1HD2 LEU 52 1HD2 LEU 52 -12.559 3.991 -1.521 390 2HD2 LEU 52 2HD2 LEU 52 -11.824 2.671 -0.585 391 3HD2 LEU 52 3HD2 LEU 52 -12.247 2.419 -2.284 392 H LYS 53 HN LYS 53 -8.101 3.829 -2.338 393 HA LYS 53 HA LYS 53 -5.819 3.721 -2.933 394 1HB LYS 53 2HB LYS 53 -5.845 2.310 -0.554 395 2HB LYS 53 1HB LYS 53 -6.970 3.626 -0.662 396 1HG LYS 53 1HG LYS 53 -8.644 2.232 -0.293 397 2HG LYS 53 2HG LYS 53 -8.261 1.316 -1.783 398 1HD LYS 53 1HD LYS 53 -6.880 -0.215 -0.555 399 2HD LYS 53 2HD LYS 53 -7.033 0.777 0.904 400 1HE LYS 53 2HE LYS 53 -8.522 -1.239 0.912 401 2HE LYS 53 1HE LYS 53 -9.499 0.242 0.925 402 1HZ LYS 53 1HZ LYS 53 -8.883 -1.351 -1.440 403 2HZ LYS 53 2HZ LYS 53 -9.851 -0.017 -1.389 404 3HZ LYS 53 3HZ LYS 53 -10.297 -1.387 -0.594 405 H CYS 54 H CYS 54 -4.544 2.661 -4.478 406 HA CYS 54 HA CYS 54 -3.472 0.191 -3.301 407 1HB CYS 54 2HB CYS 54 -5.296 -0.695 -4.791 408 2HB CYS 54 1HB CYS 54 -4.574 0.257 -6.101 409 HG CYS 54 HG CYS 54 -4.075 -2.489 -5.864 410 H VAL 55 H VAL 55 -1.297 0.319 -3.361 411 HA VAL 55 HA VAL 55 -0.026 0.819 -5.919 412 HB VAL 55 HB VAL 55 1.564 2.354 -4.120 413 1HG1 VAL 55 1HG1 VAL 55 -0.450 2.788 -2.696 414 2HG1 VAL 55 2HG1 VAL 55 0.270 4.226 -3.435 415 3HG1 VAL 55 3HG1 VAL 55 -1.219 3.558 -4.109 416 1HG2 VAL 55 1HG2 VAL 55 1.129 4.138 -5.742 417 2HG2 VAL 55 2HG2 VAL 55 1.459 2.594 -6.526 418 3HG2 VAL 55 3HG2 VAL 55 -0.210 3.190 -6.436 419 H LYS 56 HN LYS 56 2.367 0.373 -5.755 420 HA LYS 56 HA LYS 56 2.957 -1.568 -3.565 421 1HB LYS 56 2HB LYS 56 2.449 -2.000 -6.399 422 2HB LYS 56 1HB LYS 56 4.083 -2.523 -5.982 423 1HG LYS 56 2HG LYS 56 3.186 -3.858 -4.082 424 2HG LYS 56 1HG LYS 56 1.547 -3.344 -4.508 425 1HD LYS 56 2HD LYS 56 3.410 -4.942 -6.336 426 2HD LYS 56 1HD LYS 56 2.165 -5.642 -5.286 427 1HE LYS 56 2HE LYS 56 0.438 -4.233 -6.468 428 2HE LYS 56 1HE LYS 56 1.679 -3.730 -7.625 429 1HZ LYS 56 1HZ LYS 56 1.962 -6.008 -8.237 430 2HZ LYS 56 2HZ LYS 56 0.371 -5.584 -8.381 431 3HZ LYS 56 3HZ LYS 56 0.861 -6.504 -7.111 432 H LEU 57 H LEU 57 4.679 -0.812 -2.497 433 HA LEU 57 HA LEU 57 6.703 0.843 -3.941 434 1HB LEU 57 1HB LEU 57 5.726 1.791 -1.895 435 2HB LEU 57 2HB LEU 57 6.277 0.377 -0.988 436 HG LEU 57 HG LEU 57 8.638 1.233 -2.203 437 1HD1 LEU 57 1HD2 LEU 57 9.096 2.275 0.035 438 2HD1 LEU 57 2HD2 LEU 57 7.383 2.043 0.426 439 3HD1 LEU 57 3HD2 LEU 57 8.428 0.632 0.099 440 1HD2 LEU 57 1HD1 LEU 57 8.754 3.659 -2.009 441 2HD2 LEU 57 2HD1 LEU 57 7.060 3.733 -1.497 442 3HD2 LEU 57 3HD1 LEU 57 7.467 3.230 -3.152 443 H ASN 58 H ASN 58 8.437 -0.145 -4.714 444 HA ASN 58 HA ASN 58 9.135 -2.841 -3.797 445 1HB ASN 58 2HB ASN 58 9.520 -2.151 -6.139 446 2HB ASN 58 1HB ASN 58 10.701 -0.954 -5.592 447 1HD2 ASN 58 2HD2 ASN 58 10.509 -4.011 -6.883 448 2HD2 ASN 58 1HD2 ASN 58 12.007 -4.657 -6.236 449 H THR 59 H THR 59 10.039 -3.185 -1.944 450 HA THR 59 HA THR 59 10.970 -1.070 -0.235 451 HB THR 59 HB THR 59 11.241 -4.085 0.115 452 HG1 THR 59 HG1 THR 59 9.109 -3.620 -0.362 453 1HG2 THR 59 1HG2 THR 59 10.988 -3.556 2.510 454 2HG2 THR 59 2HG2 THR 59 10.883 -1.826 2.131 455 3HG2 THR 59 3HG2 THR 59 12.401 -2.713 1.849 456 H ASP 60 HN ASP 60 12.572 -3.344 -2.378 457 HA ASP 60 HA ASP 60 15.223 -3.197 -1.215 458 1HB ASP 60 1HB ASP 60 14.033 -4.985 -2.748 459 2HB ASP 60 2HB ASP 60 14.552 -3.958 -4.079 460 H GLU 61 HN GLU 61 13.380 -1.672 -3.767 461 HA GLU 61 HA GLU 61 15.447 0.131 -4.716 462 1HB GLU 61 1HB GLU 61 13.163 -0.802 -5.772 463 2HB GLU 61 2HB GLU 61 12.479 0.610 -5.077 464 1HG GLU 61 1HG GLU 61 13.037 1.136 -7.314 465 2HG GLU 61 2HG GLU 61 14.314 1.925 -6.387 466 H SER 62 H SER 62 12.900 0.219 -2.337 467 HA SER 62 HA SER 62 13.391 3.098 -1.686 468 1HB SER 62 1HB SER 62 10.939 1.484 -1.002 469 2HB SER 62 2HB SER 62 11.189 3.245 -1.058 470 HG SER 62 HG SER 62 10.963 1.337 -3.126 471 HA PRO 63 HA PRO 63 14.585 0.419 2.121 472 1HB PRO 63 2HB PRO 63 17.207 1.239 2.291 473 2HB PRO 63 1HB PRO 63 16.629 -0.123 1.297 474 1HG PRO 63 1HG PRO 63 17.252 2.624 0.286 475 2HG PRO 63 2HG PRO 63 17.772 1.048 -0.370 476 1HD PRO 63 1HD PRO 63 15.593 2.338 -1.347 477 2HD PRO 63 2HD PRO 63 15.570 0.560 -1.195 478 H ASN 64 H ASN 64 15.430 3.419 0.807 479 HA ASN 64 HA ASN 64 15.730 5.284 2.868 480 1HB ASN 64 2HB ASN 64 14.276 5.499 0.197 481 2HB ASN 64 1HB ASN 64 14.388 6.859 1.311 482 1HD2 ASN 64 1HD2 ASN 64 15.537 7.682 -0.857 483 2HD2 ASN 64 2HD2 ASN 64 17.271 7.411 -0.865 484 H VAL 65 H VAL 65 12.569 4.928 1.301 485 HA VAL 65 HA VAL 65 10.980 6.116 3.255 486 HB VAL 65 HB VAL 65 10.300 3.809 1.368 487 1HG1 VAL 65 1HG2 VAL 65 7.998 4.612 1.521 488 2HG1 VAL 65 2HG2 VAL 65 8.499 5.858 2.700 489 3HG1 VAL 65 3HG2 VAL 65 8.583 4.140 3.119 490 1HG2 VAL 65 1HG1 VAL 65 10.242 6.828 0.982 491 2HG2 VAL 65 2HG1 VAL 65 9.438 5.666 -0.099 492 3HG2 VAL 65 3HG1 VAL 65 11.194 5.628 0.080 493 H ALA 66 H ALA 66 11.747 2.728 2.745 494 HA ALA 66 HA ALA 66 10.273 1.565 4.835 495 1HB ALA 66 1HB ALA 66 11.466 0.304 3.044 496 2HB ALA 66 2HB ALA 66 11.772 -0.353 4.664 497 3HB ALA 66 3HB ALA 66 13.007 0.623 3.865 498 H SER 67 H SER 67 13.534 3.024 4.996 499 HA SER 67 HA SER 67 13.942 2.382 7.798 500 1HB SER 67 2HB SER 67 15.379 4.384 5.997 501 2HB SER 67 1HB SER 67 15.929 3.783 7.573 502 HG SER 67 HG SER 67 15.504 2.258 5.211 503 H GLU 68 HN GLU 68 12.882 5.230 5.949 504 HA GLU 68 HA GLU 68 12.786 7.122 8.069 505 1HB GLU 68 1HB GLU 68 11.064 6.814 5.577 506 2HB GLU 68 2HB GLU 68 10.983 8.210 6.649 507 1HG GLU 68 2HG GLU 68 13.165 8.936 6.130 508 2HG GLU 68 1HG GLU 68 13.659 7.373 5.485 509 H TYR 69 H TYR 69 10.301 4.785 6.928 510 HA TYR 69 HA TYR 69 8.520 5.453 9.182 511 1HB TYR 69 2HB TYR 69 8.455 3.447 6.909 512 2HB TYR 69 1HB TYR 69 7.370 3.304 8.286 513 HD1 TYR 69 HD1 TYR 69 8.178 5.342 5.307 514 HD2 TYR 69 HD2 TYR 69 5.739 5.089 8.848 515 HE1 TYR 69 HE1 TYR 69 6.994 7.426 4.650 516 HE2 TYR 69 HE2 TYR 69 4.572 7.176 8.194 517 HH TYR 69 HH TYR 69 4.627 9.001 6.787 518 H GLY 70 H GLY 70 10.889 2.912 8.390 519 1HA GLY 70 2HA GLY 70 12.313 1.936 9.942 520 2HA GLY 70 1HA GLY 70 11.260 2.421 11.273 521 H ILE 71 H ILE 71 10.756 0.484 8.246 522 HA ILE 71 HA ILE 71 9.478 -1.654 9.881 523 HB ILE 71 HB ILE 71 8.487 -2.336 7.826 524 1HG1 ILE 71 1HG1 ILE 71 9.798 -0.052 6.340 525 2HG1 ILE 71 2HG1 ILE 71 10.486 -1.680 6.330 526 1HG2 ILE 71 1HG2 ILE 71 8.247 0.700 8.044 527 2HG2 ILE 71 2HG2 ILE 71 7.049 -0.434 7.412 528 3HG2 ILE 71 3HG2 ILE 71 7.459 -0.466 9.129 529 1HD1 ILE 71 1HD1 ILE 71 7.750 -0.905 5.286 530 2HD1 ILE 71 2HD1 ILE 71 9.171 -1.463 4.378 531 3HD1 ILE 71 3HD1 ILE 71 8.329 -2.579 5.461 532 H ARG 72 HN ARG 72 9.824 -3.804 8.243 533 HA ARG 72 HA ARG 72 12.574 -4.184 7.446 534 1HB ARG 72 2HB ARG 72 12.774 -6.173 9.133 535 2HB ARG 72 1HB ARG 72 13.253 -4.553 9.605 536 1HG ARG 72 1HG ARG 72 11.485 -4.200 11.039 537 2HG ARG 72 2HG ARG 72 10.423 -5.390 10.285 538 1HD ARG 72 1HD ARG 72 12.961 -6.058 11.807 539 2HD ARG 72 2HD ARG 72 11.323 -6.143 12.488 540 HE ARG 72 HE ARG 72 10.929 -7.711 10.386 541 1HH1 ARG 72 2HH1 ARG 72 13.623 -7.825 12.684 542 2HH1 ARG 72 1HH1 ARG 72 14.057 -9.458 12.260 543 1HH2 ARG 72 2HH2 ARG 72 11.479 -9.707 9.815 544 2HH2 ARG 72 1HH2 ARG 72 12.775 -10.598 10.599 545 H SER 73 H SER 73 10.421 -6.705 8.826 546 HA SER 73 HA SER 73 10.462 -8.288 6.556 547 1HB SER 73 1HB SER 73 8.098 -8.115 8.442 548 2HB SER 73 2HB SER 73 8.748 -9.553 7.643 549 HG SER 73 HG SER 73 9.323 -9.296 9.921 550 H ILE 74 H ILE 74 8.744 -8.802 5.016 551 HA ILE 74 HA ILE 74 6.715 -6.791 4.553 552 HB ILE 74 HB ILE 74 7.362 -6.743 2.079 553 1HG1 ILE 74 1HG1 ILE 74 10.117 -7.549 3.021 554 2HG1 ILE 74 2HG1 ILE 74 8.991 -8.628 2.179 555 1HG2 ILE 74 1HG2 ILE 74 7.665 -4.860 3.747 556 2HG2 ILE 74 2HG2 ILE 74 9.344 -5.400 3.960 557 3HG2 ILE 74 3HG2 ILE 74 8.776 -4.820 2.386 558 1HD1 ILE 74 1HD1 ILE 74 10.335 -7.681 0.454 559 2HD1 ILE 74 2HD1 ILE 74 8.792 -6.850 0.356 560 3HD1 ILE 74 3HD1 ILE 74 10.188 -6.047 1.108 561 HA PRO 75 HA PRO 75 5.180 -6.879 2.240 562 1HB PRO 75 1HB PRO 75 2.484 -7.352 2.545 563 2HB PRO 75 2HB PRO 75 3.481 -7.892 1.191 564 1HG PRO 75 1HG PRO 75 2.665 -9.395 3.684 565 2HG PRO 75 2HG PRO 75 2.641 -10.018 2.008 566 1HD PRO 75 2HD PRO 75 4.675 -10.607 3.771 567 2HD PRO 75 1HD PRO 75 4.991 -10.348 2.046 568 H THR 76 H THR 76 4.606 -5.066 3.092 569 HA THR 76 HA THR 76 3.403 -4.852 5.796 570 HB THR 76 HB THR 76 5.920 -3.394 4.909 571 HG1 THR 76 HG1 THR 76 6.569 -5.047 6.170 572 1HG2 THR 76 1HG2 THR 76 3.928 -2.751 7.132 573 2HG2 THR 76 2HG2 THR 76 5.579 -2.117 7.054 574 3HG2 THR 76 3HG2 THR 76 4.413 -1.694 5.787 575 H ILE 77 H ILE 77 1.495 -4.149 5.234 576 HA ILE 77 HA ILE 77 1.090 -2.596 2.731 577 HB ILE 77 HB ILE 77 -0.941 -4.189 4.339 578 1HG1 ILE 77 1HG1 ILE 77 0.619 -5.215 1.934 579 2HG1 ILE 77 2HG1 ILE 77 0.855 -5.753 3.606 580 1HG2 ILE 77 1HG2 ILE 77 -1.669 -2.401 2.726 581 2HG2 ILE 77 2HG2 ILE 77 -0.890 -3.310 1.416 582 3HG2 ILE 77 3HG2 ILE 77 -2.265 -4.010 2.303 583 1HD1 ILE 77 1HD1 ILE 77 -1.636 -6.166 1.943 584 2HD1 ILE 77 2HD1 ILE 77 -1.560 -6.409 3.707 585 3HD1 ILE 77 3HD1 ILE 77 -0.534 -7.370 2.637 586 H MET 78 H MET 78 1.125 -0.447 3.255 587 HA MET 78 HA MET 78 -0.206 0.350 5.824 588 1HB MET 78 2HB MET 78 1.558 2.000 4.059 589 2HB MET 78 1HB MET 78 0.992 2.423 5.673 590 1HG MET 78 2HG MET 78 2.381 0.541 6.593 591 2HG MET 78 1HG MET 78 3.012 0.272 4.958 592 1HE MET 78 1HE MET 78 6.109 1.857 6.639 593 2HE MET 78 2HE MET 78 4.957 0.685 7.330 594 3HE MET 78 3HE MET 78 5.485 0.534 5.630 595 H VAL 79 H VAL 79 -1.567 2.138 5.787 596 HA VAL 79 HA VAL 79 -2.715 2.858 3.119 597 HB VAL 79 HB VAL 79 -4.272 1.567 5.062 598 1HG1 VAL 79 1HG2 VAL 79 -6.143 2.336 3.538 599 2HG1 VAL 79 2HG2 VAL 79 -4.740 1.824 2.577 600 3HG1 VAL 79 3HG2 VAL 79 -5.059 3.549 2.839 601 1HG2 VAL 79 1HG1 VAL 79 -5.049 4.506 5.056 602 2HG2 VAL 79 2HG1 VAL 79 -5.933 3.149 5.773 603 3HG2 VAL 79 3HG1 VAL 79 -4.372 3.623 6.433 604 H PHE 80 H PHE 80 -2.602 4.835 2.640 605 HA PHE 80 HA PHE 80 -2.033 6.858 4.747 606 1HB PHE 80 1HB PHE 80 -0.955 6.576 1.916 607 2HB PHE 80 2HB PHE 80 -0.870 8.075 2.828 608 HD1 PHE 80 HD1 PHE 80 0.158 4.445 3.180 609 HD2 PHE 80 HD2 PHE 80 1.079 8.569 3.972 610 HE1 PHE 80 HE1 PHE 80 2.540 3.850 3.677 611 HE2 PHE 80 HE2 PHE 80 3.412 7.967 4.481 612 HZ PHE 80 HZ PHE 80 4.112 5.568 4.467 613 H LYS 81 HN LYS 81 -3.154 8.848 4.368 614 HA LYS 81 HA LYS 81 -4.663 9.360 2.008 615 1HB LYS 81 1HB LYS 81 -6.893 9.221 2.740 616 2HB LYS 81 2HB LYS 81 -6.202 7.655 3.179 617 1HG LYS 81 1HG LYS 81 -6.787 9.930 5.101 618 2HG LYS 81 2HG LYS 81 -7.685 8.424 4.870 619 1HD LYS 81 2HD LYS 81 -5.385 7.248 5.337 620 2HD LYS 81 1HD LYS 81 -4.920 8.799 6.057 621 1HE LYS 81 2HE LYS 81 -7.296 7.036 6.813 622 2HE LYS 81 1HE LYS 81 -5.820 7.269 7.742 623 1HZ LYS 81 1HZ LYS 81 -7.778 9.368 7.157 624 2HZ LYS 81 2HZ LYS 81 -7.569 8.613 8.606 625 3HZ LYS 81 3HZ LYS 81 -6.376 9.575 7.999 626 H GLY 82 H GLY 82 -5.562 11.627 2.199 627 1HA GLY 82 2HA GLY 82 -5.160 13.808 2.993 628 2HA GLY 82 1HA GLY 82 -5.134 13.047 4.622 629 H GLY 83 H GLY 83 -3.031 12.207 1.882 630 1HA GLY 83 1HA GLY 83 -0.850 12.161 1.569 631 2HA GLY 83 2HA GLY 83 -0.626 13.494 2.698 632 H LYS 84 HN LYS 84 -1.401 12.379 5.092 633 HA LYS 84 HA LYS 84 1.004 10.820 5.640 634 1HB LYS 84 1HB LYS 84 -1.220 11.787 7.480 635 2HB LYS 84 2HB LYS 84 0.314 11.070 8.004 636 1HG LYS 84 1HG LYS 84 1.472 12.906 6.587 637 2HG LYS 84 2HG LYS 84 -0.096 13.725 6.581 638 1HD LYS 84 2HD LYS 84 1.487 12.858 9.057 639 2HD LYS 84 1HD LYS 84 1.436 14.497 8.392 640 1HE LYS 84 1HE LYS 84 -1.047 14.555 8.767 641 2HE LYS 84 2HE LYS 84 -0.954 12.950 9.516 642 1HZ LYS 84 1HZ LYS 84 0.498 13.864 11.166 643 2HZ LYS 84 2HZ LYS 84 -0.936 14.673 11.136 644 3HZ LYS 84 3HZ LYS 84 0.409 15.360 10.479 645 H LYS 85 HN LYS 85 1.009 9.097 7.206 646 HA LYS 85 HA LYS 85 -0.353 6.747 6.175 647 1HB LYS 85 2HB LYS 85 2.139 7.028 6.856 648 2HB LYS 85 1HB LYS 85 1.563 6.997 8.511 649 1HG LYS 85 2HG LYS 85 0.394 4.666 7.505 650 2HG LYS 85 1HG LYS 85 1.783 4.843 6.460 651 1HD LYS 85 2HD LYS 85 2.705 3.580 8.133 652 2HD LYS 85 1HD LYS 85 3.115 5.178 8.750 653 1HE LYS 85 1HE LYS 85 0.724 3.437 9.543 654 2HE LYS 85 2HE LYS 85 2.200 3.654 10.496 655 1HZ LYS 85 1HZ LYS 85 0.290 5.775 9.827 656 2HZ LYS 85 2HZ LYS 85 1.641 5.950 10.755 657 3HZ LYS 85 3HZ LYS 85 0.392 4.996 11.267 658 H CYS 86 H CYS 86 -1.655 5.327 7.431 659 HA CYS 86 HA CYS 86 -2.298 6.098 10.252 660 1HB CYS 86 1HB CYS 86 -4.093 7.011 9.026 661 2HB CYS 86 2HB CYS 86 -4.282 5.568 8.007 662 HG CYS 86 HG CYS 86 -4.647 5.907 11.285 663 H GLU 87 HN GLU 87 -3.675 3.591 8.143 664 HA GLU 87 HA GLU 87 -3.003 1.520 9.992 665 1HB GLU 87 1HB GLU 87 -3.927 1.390 7.120 666 2HB GLU 87 2HB GLU 87 -3.861 0.009 8.208 667 1HG GLU 87 2HG GLU 87 -5.567 2.512 8.735 668 2HG GLU 87 1HG GLU 87 -6.136 1.012 8.045 669 H THR 88 H THR 88 -1.589 -0.170 9.799 670 HA THR 88 HA THR 88 0.510 -0.296 7.745 671 HB THR 88 HB THR 88 1.641 1.217 9.112 672 HG1 THR 88 HG1 THR 88 2.258 -1.374 10.075 673 1HG2 THR 88 1HG2 THR 88 1.836 1.014 11.587 674 2HG2 THR 88 2HG2 THR 88 0.182 1.366 11.078 675 3HG2 THR 88 3HG2 THR 88 0.626 -0.280 11.580 676 H ILE 89 H ILE 89 -0.816 -2.134 7.282 677 HA ILE 89 HA ILE 89 -1.066 -4.265 9.312 678 HB ILE 89 HB ILE 89 -1.904 -4.252 6.381 679 1HG1 ILE 89 1HG1 ILE 89 -3.043 -2.362 7.281 680 2HG1 ILE 89 2HG1 ILE 89 -4.170 -3.710 7.220 681 1HG2 ILE 89 1HG2 ILE 89 -1.953 -6.487 7.370 682 2HG2 ILE 89 2HG2 ILE 89 -3.599 -5.901 7.143 683 3HG2 ILE 89 3HG2 ILE 89 -2.883 -5.889 8.763 684 1HD1 ILE 89 1HD1 ILE 89 -4.443 -2.408 9.275 685 2HD1 ILE 89 2HD1 ILE 89 -3.947 -4.059 9.661 686 3HD1 ILE 89 3HD1 ILE 89 -2.781 -2.719 9.755 687 H ILE 90 H ILE 90 -0.144 -6.420 8.774 688 HA ILE 90 HA ILE 90 2.274 -6.328 7.048 689 HB ILE 90 HB ILE 90 2.338 -7.082 10.007 690 1HG1 ILE 90 2HG1 ILE 90 3.478 -4.660 8.537 691 2HG1 ILE 90 1HG1 ILE 90 2.204 -4.650 9.768 692 1HG2 ILE 90 1HG2 ILE 90 4.776 -7.342 9.652 693 2HG2 ILE 90 2HG2 ILE 90 4.581 -6.939 7.934 694 3HG2 ILE 90 3HG2 ILE 90 3.902 -8.436 8.612 695 1HD1 ILE 90 1HD1 ILE 90 3.866 -5.555 11.424 696 2HD1 ILE 90 2HD1 ILE 90 5.138 -5.228 10.215 697 3HD1 ILE 90 3HD1 ILE 90 4.153 -3.903 10.841 698 H GLY 91 H GLY 91 2.908 -8.319 6.285 699 1HA GLY 91 2HA GLY 91 2.865 -10.604 5.948 700 2HA GLY 91 1HA GLY 91 1.690 -10.802 7.258 701 H ALA 92 H ALA 92 1.147 -12.340 5.214 702 HA ALA 92 HA ALA 92 -0.386 -11.126 3.089 703 1HB ALA 92 1HB ALA 92 0.665 -13.354 2.874 704 2HB ALA 92 2HB ALA 92 -0.385 -13.985 4.165 705 3HB ALA 92 3HB ALA 92 -1.091 -13.453 2.623 706 H VAL 93 H VAL 93 -2.770 -11.246 2.859 707 HA VAL 93 HA VAL 93 -4.291 -11.645 5.335 708 HB VAL 93 HB VAL 93 -5.292 -9.313 4.025 709 1HG1 VAL 93 1HG1 VAL 93 -3.547 -7.641 4.493 710 2HG1 VAL 93 2HG1 VAL 93 -2.972 -8.783 3.274 711 3HG1 VAL 93 3HG1 VAL 93 -2.414 -8.905 4.965 712 1HG2 VAL 93 1HG2 VAL 93 -4.178 -9.453 6.779 713 2HG2 VAL 93 2HG2 VAL 93 -5.260 -8.218 6.071 714 3HG2 VAL 93 3HG2 VAL 93 -5.833 -9.872 6.268 715 HA PRO 94 HA PRO 94 -7.303 -12.638 2.053 716 1HB PRO 94 2HB PRO 94 -9.444 -11.876 3.966 717 2HB PRO 94 1HB PRO 94 -9.244 -13.413 3.119 718 1HG PRO 94 1HG PRO 94 -8.713 -13.190 5.823 719 2HG PRO 94 2HG PRO 94 -7.597 -14.139 4.788 720 1HD PRO 94 2HD PRO 94 -7.374 -11.212 5.540 721 2HD PRO 94 1HD PRO 94 -6.133 -12.442 5.805 722 H LYS 95 HN LYS 95 -8.376 -11.237 0.622 723 HA LYS 95 HA LYS 95 -7.940 -8.493 0.885 724 1HB LYS 95 1HB LYS 95 -9.560 -8.305 -1.031 725 2HB LYS 95 2HB LYS 95 -8.406 -9.641 -1.305 726 1HG LYS 95 2HG LYS 95 -10.232 -11.217 -0.481 727 2HG LYS 95 1HG LYS 95 -11.342 -9.840 -0.570 728 1HD LYS 95 2HD LYS 95 -9.767 -11.051 -2.890 729 2HD LYS 95 1HD LYS 95 -11.480 -11.254 -2.530 730 1HE LYS 95 2HE LYS 95 -11.568 -9.626 -4.170 731 2HE LYS 95 1HE LYS 95 -11.633 -8.640 -2.705 732 1HZ LYS 95 1HZ LYS 95 -9.247 -8.292 -2.987 733 2HZ LYS 95 2HZ LYS 95 -10.129 -7.767 -4.274 734 3HZ LYS 95 3HZ LYS 95 -9.272 -9.175 -4.379 735 H ALA 96 H ALA 96 -10.663 -10.442 1.665 736 HA ALA 96 HA ALA 96 -12.705 -8.579 2.210 737 1HB ALA 96 1HB ALA 96 -13.573 -10.224 3.848 738 2HB ALA 96 2HB ALA 96 -12.024 -11.094 3.812 739 3HB ALA 96 3HB ALA 96 -13.038 -11.017 2.354 740 H THR 97 H THR 97 -10.165 -9.729 4.510 741 HA THR 97 HA THR 97 -10.878 -8.067 6.664 742 HB THR 97 HB THR 97 -8.103 -9.061 5.909 743 HG1 THR 97 HG1 THR 97 -10.262 -10.423 7.165 744 1HG2 THR 97 1HG2 THR 97 -7.836 -9.317 8.357 745 2HG2 THR 97 2HG2 THR 97 -9.456 -8.636 8.617 746 3HG2 THR 97 3HG2 THR 97 -8.165 -7.630 7.926 747 H ILE 98 H ILE 98 -8.491 -7.570 3.994 748 HA ILE 98 HA ILE 98 -7.544 -5.043 4.881 749 HB ILE 98 HB ILE 98 -7.667 -6.507 2.233 750 1HG1 ILE 98 2HG1 ILE 98 -5.943 -6.945 4.011 751 2HG1 ILE 98 1HG1 ILE 98 -5.318 -6.554 2.409 752 1HG2 ILE 98 1HG2 ILE 98 -8.082 -4.286 1.411 753 2HG2 ILE 98 2HG2 ILE 98 -6.878 -3.575 2.505 754 3HG2 ILE 98 3HG2 ILE 98 -6.374 -4.636 1.168 755 1HD1 ILE 98 1HD1 ILE 98 -3.999 -5.446 4.165 756 2HD1 ILE 98 2HD1 ILE 98 -5.422 -4.588 4.752 757 3HD1 ILE 98 3HD1 ILE 98 -4.777 -4.257 3.132 758 H VAL 99 H VAL 99 -10.217 -5.780 2.608 759 HA VAL 99 HA VAL 99 -11.062 -3.142 2.123 760 HB VAL 99 HB VAL 99 -12.533 -5.810 2.201 761 1HG1 VAL 99 1HG2 VAL 99 -13.617 -3.085 1.397 762 2HG1 VAL 99 2HG2 VAL 99 -14.320 -4.627 0.859 763 3HG1 VAL 99 3HG2 VAL 99 -14.284 -4.243 2.579 764 1HG2 VAL 99 1HG1 VAL 99 -11.659 -3.996 -0.086 765 2HG2 VAL 99 2HG1 VAL 99 -12.415 -5.596 -0.235 766 3HG2 VAL 99 3HG1 VAL 99 -10.787 -5.444 0.445 767 H GLN 100 H GLN 100 -12.306 -5.403 4.663 768 HA GLN 100 HA GLN 100 -13.990 -3.539 5.973 769 1HB GLN 100 1HB GLN 100 -12.323 -5.834 7.085 770 2HB GLN 100 2HB GLN 100 -13.595 -5.026 7.993 771 1HG GLN 100 2HG GLN 100 -14.177 -6.368 5.311 772 2HG GLN 100 1HG GLN 100 -14.114 -7.274 6.826 773 1HE2 GLN 100 1HE2 GLN 100 -15.628 -4.292 5.426 774 2HE2 GLN 100 2HE2 GLN 100 -17.131 -4.517 6.307 775 H THR 101 H THR 101 -10.585 -4.133 6.413 776 HA THR 101 HA THR 101 -10.223 -2.485 8.734 777 HB THR 101 HB THR 101 -8.113 -3.292 6.649 778 HG1 THR 101 HG1 THR 101 -9.187 -5.021 7.675 779 1HG2 THR 101 1HG2 THR 101 -7.874 -2.272 9.509 780 2HG2 THR 101 2HG2 THR 101 -7.310 -1.436 8.044 781 3HG2 THR 101 3HG2 THR 101 -6.565 -2.966 8.534 782 H VAL 102 H VAL 102 -10.095 -1.696 5.215 783 HA VAL 102 HA VAL 102 -9.382 1.090 5.855 784 HB VAL 102 HB VAL 102 -10.311 -0.154 3.282 785 1HG1 VAL 102 1HG1 VAL 102 -7.537 0.424 4.387 786 2HG1 VAL 102 2HG1 VAL 102 -8.214 -1.169 3.953 787 3HG1 VAL 102 3HG1 VAL 102 -7.855 0.006 2.704 788 1HG2 VAL 102 1HG2 VAL 102 -10.628 2.271 3.154 789 2HG2 VAL 102 2HG2 VAL 102 -9.113 1.947 2.313 790 3HG2 VAL 102 3HG2 VAL 102 -9.075 2.565 3.965 791 H GLU 103 HN GLU 103 -12.354 -0.708 5.055 792 HA GLU 103 HA GLU 103 -14.061 1.501 4.598 793 1HB GLU 103 1HB GLU 103 -14.507 -1.281 5.729 794 2HB GLU 103 2HB GLU 103 -15.828 -0.135 5.492 795 1HG GLU 103 1HG GLU 103 -15.326 0.119 3.141 796 2HG GLU 103 2HG GLU 103 -13.881 -0.887 3.253 797 H LYS 104 HN LYS 104 -12.998 0.021 7.610 798 HA LYS 104 HA LYS 104 -14.398 1.426 9.556 799 1HB LYS 104 1HB LYS 104 -12.525 -0.213 9.915 800 2HB LYS 104 2HB LYS 104 -11.389 1.044 9.398 801 1HG LYS 104 1HG LYS 104 -12.173 2.466 11.351 802 2HG LYS 104 2HG LYS 104 -13.126 1.065 11.891 803 1HD LYS 104 1HD LYS 104 -11.016 -0.288 11.946 804 2HD LYS 104 2HD LYS 104 -10.125 1.093 11.319 805 1HE LYS 104 2HE LYS 104 -9.755 0.926 13.722 806 2HE LYS 104 1HE LYS 104 -10.625 2.418 13.340 807 1HZ LYS 104 1HZ LYS 104 -11.847 -0.068 14.329 808 2HZ LYS 104 2HZ LYS 104 -12.649 1.335 14.003 809 3HZ LYS 104 3HZ LYS 104 -11.548 1.282 15.226 810 H TYR 105 H TYR 105 -11.874 2.669 7.392 811 HA TYR 105 HA TYR 105 -11.992 5.420 8.500 812 1HB TYR 105 2HB TYR 105 -9.973 3.974 6.724 813 2HB TYR 105 1HB TYR 105 -9.842 5.655 7.253 814 HD1 TYR 105 HD1 TYR 105 -9.066 2.231 7.964 815 HD2 TYR 105 HD2 TYR 105 -9.779 6.054 9.799 816 HE1 TYR 105 HE1 TYR 105 -8.078 1.407 10.060 817 HE2 TYR 105 HE2 TYR 105 -8.626 5.272 11.875 818 HH TYR 105 HH TYR 105 -6.867 2.263 12.004 819 H LEU 106 H LEU 106 -13.893 3.937 6.390 820 HA LEU 106 HA LEU 106 -14.326 6.276 4.787 821 1HB LEU 106 2HB LEU 106 -13.169 3.778 3.492 822 2HB LEU 106 1HB LEU 106 -14.410 4.720 2.675 823 HG LEU 106 HG LEU 106 -11.585 5.564 3.260 824 1HD1 LEU 106 1HD2 LEU 106 -13.922 7.400 2.562 825 2HD1 LEU 106 2HD2 LEU 106 -12.807 7.572 3.938 826 3HD1 LEU 106 3HD2 LEU 106 -12.212 7.812 2.306 827 1HD2 LEU 106 1HD1 LEU 106 -13.441 5.551 0.816 828 2HD2 LEU 106 2HD1 LEU 106 -11.767 6.089 0.815 829 3HD2 LEU 106 3HD1 LEU 106 -12.149 4.383 1.156 830 H ASN 107 H ASN 107 -16.302 6.398 5.556 831 HA ASN 107 HA ASN 107 -18.376 4.730 4.608 832 1HB ASN 107 2HB ASN 107 -17.441 3.486 6.723 833 2HB ASN 107 1HB ASN 107 -18.096 4.842 7.644 834 1HD2 ASN 107 2HD2 ASN 107 -20.549 5.263 6.216 835 2HD2 ASN 107 1HD2 ASN 107 -21.553 3.822 6.455 Start of MODEL 28 1 1H MET 1 1H MET 1 -1.796 -1.545 -11.473 2 2H MET 1 2H MET 1 -1.388 -2.864 -12.401 3 3H MET 1 3H MET 1 -2.556 -2.978 -11.255 4 HA MET 1 HA MET 1 -2.662 -1.581 -13.813 5 1HB MET 1 2HB MET 1 -3.313 -3.967 -13.748 6 2HB MET 1 1HB MET 1 -4.533 -3.630 -12.519 7 1HG MET 1 1HG MET 1 -5.717 -2.141 -14.121 8 2HG MET 1 2HG MET 1 -4.454 -2.437 -15.325 9 1HE MET 1 1HE MET 1 -6.404 -2.975 -17.034 10 2HE MET 1 2HE MET 1 -7.631 -2.769 -15.757 11 3HE MET 1 3HE MET 1 -7.627 -4.239 -16.758 12 H GLU 2 HN GLU 2 -5.114 -2.115 -11.167 13 HA GLU 2 HA GLU 2 -6.024 0.659 -11.440 14 1HB GLU 2 1HB GLU 2 -6.674 -1.559 -9.427 15 2HB GLU 2 2HB GLU 2 -7.380 0.056 -9.430 16 1HG GLU 2 1HG GLU 2 -8.926 -1.405 -10.552 17 2HG GLU 2 2HG GLU 2 -8.227 -0.330 -11.761 18 H ALA 3 H ALA 3 -4.426 -1.346 -8.970 19 HA ALA 3 HA ALA 3 -3.202 0.847 -7.615 20 1HB ALA 3 1HB ALA 3 -1.856 -0.931 -6.525 21 2HB ALA 3 2HB ALA 3 -3.552 -1.465 -6.647 22 3HB ALA 3 3HB ALA 3 -2.343 -2.089 -7.780 23 H GLY 4 H GLY 4 -1.153 1.741 -7.848 24 1HA GLY 4 2HA GLY 4 0.311 1.168 -10.395 25 2HA GLY 4 1HA GLY 4 0.452 2.596 -9.363 26 H ALA 5 H ALA 5 2.819 2.092 -9.652 27 HA ALA 5 HA ALA 5 3.800 0.383 -7.443 28 1HB ALA 5 1HB ALA 5 4.978 0.513 -10.252 29 2HB ALA 5 2HB ALA 5 4.182 -0.899 -9.518 30 3HB ALA 5 3HB ALA 5 5.710 -0.293 -8.847 31 H VAL 6 H VAL 6 5.530 1.443 -6.341 32 HA VAL 6 HA VAL 6 6.431 4.052 -7.425 33 HB VAL 6 HB VAL 6 6.122 4.950 -4.982 34 1HG1 VAL 6 1HG1 VAL 6 3.958 2.815 -4.941 35 2HG1 VAL 6 2HG1 VAL 6 5.397 2.902 -3.916 36 3HG1 VAL 6 3HG1 VAL 6 4.156 4.148 -3.790 37 1HG2 VAL 6 1HG2 VAL 6 5.055 6.027 -6.767 38 2HG2 VAL 6 2HG2 VAL 6 3.862 4.734 -6.957 39 3HG2 VAL 6 3HG2 VAL 6 3.849 5.764 -5.500 40 H ASN 7 H ASN 7 8.079 5.020 -6.123 41 HA ASN 7 HA ASN 7 9.701 3.260 -4.494 42 1HB ASN 7 2HB ASN 7 10.806 2.881 -6.618 43 2HB ASN 7 1HB ASN 7 10.594 4.586 -7.088 44 1HD2 ASN 7 2HD2 ASN 7 12.154 2.795 -4.359 45 2HD2 ASN 7 1HD2 ASN 7 13.696 3.585 -4.520 46 H ASP 8 HN ASP 8 11.463 4.727 -3.595 47 HA ASP 8 HA ASP 8 10.523 6.732 -1.995 48 1HB ASP 8 1HB ASP 8 12.852 5.683 -2.048 49 2HB ASP 8 2HB ASP 8 13.281 6.808 -3.324 50 H ASP 9 HN ASP 9 11.932 7.209 -5.180 51 HA ASP 9 HA ASP 9 11.716 10.024 -5.408 52 1HB ASP 9 1HB ASP 9 12.959 8.656 -7.000 53 2HB ASP 9 2HB ASP 9 11.503 7.844 -7.548 54 H THR 10 H THR 10 9.499 7.723 -7.034 55 HA THR 10 HA THR 10 7.572 9.682 -7.730 56 HB THR 10 HB THR 10 6.183 7.567 -8.187 57 HG1 THR 10 HG1 THR 10 7.586 5.670 -8.144 58 1HG2 THR 10 1HG2 THR 10 7.612 6.900 -10.074 59 2HG2 THR 10 2HG2 THR 10 7.636 8.661 -9.883 60 3HG2 THR 10 3HG2 THR 10 9.014 7.692 -9.329 61 H PHE 11 H PHE 11 7.776 7.516 -5.001 62 HA PHE 11 HA PHE 11 5.404 7.463 -3.714 63 1HB PHE 11 2HB PHE 11 7.504 6.495 -2.922 64 2HB PHE 11 1HB PHE 11 8.151 8.073 -2.559 65 HD1 PHE 11 HD1 PHE 11 8.037 8.870 -0.372 66 HD2 PHE 11 HD2 PHE 11 5.430 5.683 -1.621 67 HE1 PHE 11 HE1 PHE 11 7.223 8.648 1.934 68 HE2 PHE 11 HE2 PHE 11 4.547 5.501 0.686 69 HZ PHE 11 HZ PHE 11 5.437 6.977 2.483 70 H LYS 12 HN LYS 12 7.693 10.066 -3.600 71 HA LYS 12 HA LYS 12 6.609 11.983 -1.903 72 1HB LYS 12 1HB LYS 12 7.795 12.353 -4.692 73 2HB LYS 12 2HB LYS 12 7.474 13.676 -3.607 74 1HG LYS 12 1HG LYS 12 9.360 11.294 -3.140 75 2HG LYS 12 2HG LYS 12 9.852 12.887 -3.695 76 1HD LYS 12 1HD LYS 12 10.302 13.345 -1.539 77 2HD LYS 12 2HD LYS 12 8.561 13.556 -1.353 78 1HE LYS 12 1HE LYS 12 9.416 12.081 0.397 79 2HE LYS 12 2HE LYS 12 8.401 11.123 -0.695 80 1HZ LYS 12 1HZ LYS 12 10.386 10.290 -1.726 81 2HZ LYS 12 2HZ LYS 12 10.468 10.032 -0.110 82 3HZ LYS 12 3HZ LYS 12 11.337 11.251 -0.786 83 H ASN 13 H ASN 13 5.920 11.874 -5.391 84 HA ASN 13 HA ASN 13 3.815 13.879 -5.181 85 1HB ASN 13 2HB ASN 13 5.485 12.709 -7.258 86 2HB ASN 13 1HB ASN 13 3.802 12.483 -7.713 87 1HD2 ASN 13 2HD2 ASN 13 5.433 15.194 -5.876 88 2HD2 ASN 13 1HD2 ASN 13 5.019 16.404 -7.065 89 H VAL 14 H VAL 14 4.082 10.449 -5.741 90 HA VAL 14 HA VAL 14 1.292 10.108 -6.475 91 HB VAL 14 HB VAL 14 3.461 8.111 -5.715 92 1HG1 VAL 14 1HG1 VAL 14 3.626 7.780 -8.166 93 2HG1 VAL 14 2HG1 VAL 14 2.379 9.013 -8.430 94 3HG1 VAL 14 3HG1 VAL 14 3.959 9.469 -7.774 95 1HG2 VAL 14 1HG2 VAL 14 1.315 6.990 -5.469 96 2HG2 VAL 14 2HG2 VAL 14 0.720 7.707 -6.989 97 3HG2 VAL 14 3HG2 VAL 14 2.014 6.499 -7.022 98 H VAL 15 H VAL 15 3.063 9.720 -3.409 99 HA VAL 15 HA VAL 15 0.558 8.830 -2.060 100 HB VAL 15 HB VAL 15 3.423 8.554 -1.061 101 1HG1 VAL 15 1HG1 VAL 15 0.852 7.176 -0.249 102 2HG1 VAL 15 2HG1 VAL 15 1.615 8.516 0.636 103 3HG1 VAL 15 3HG1 VAL 15 2.467 6.985 0.480 104 1HG2 VAL 15 1HG2 VAL 15 3.299 7.278 -3.118 105 2HG2 VAL 15 2HG2 VAL 15 3.182 6.167 -1.751 106 3HG2 VAL 15 3HG2 VAL 15 1.730 6.605 -2.664 107 H LEU 16 H LEU 16 3.525 10.681 -1.112 108 HA LEU 16 HA LEU 16 2.283 11.788 1.174 109 1HB LEU 16 1HB LEU 16 4.518 13.095 -0.426 110 2HB LEU 16 2HB LEU 16 4.082 13.395 1.242 111 HG LEU 16 HG LEU 16 5.260 10.814 0.105 112 1HD1 LEU 16 1HD1 LEU 16 6.336 12.878 2.078 113 2HD1 LEU 16 2HD1 LEU 16 7.186 11.432 1.495 114 3HD1 LEU 16 3HD1 LEU 16 6.802 12.759 0.372 115 1HD2 LEU 16 1HD2 LEU 16 5.404 10.075 2.483 116 2HD2 LEU 16 2HD2 LEU 16 4.478 11.498 2.969 117 3HD2 LEU 16 3HD2 LEU 16 3.726 10.228 1.963 118 H GLU 17 HN GLU 17 2.747 13.302 -2.027 119 HA GLU 17 HA GLU 17 1.026 15.581 -1.296 120 1HB GLU 17 1HB GLU 17 2.319 14.831 -3.926 121 2HB GLU 17 2HB GLU 17 1.653 16.407 -3.515 122 1HG GLU 17 2HG GLU 17 3.372 16.827 -1.873 123 2HG GLU 17 1HG GLU 17 4.009 15.185 -1.990 124 H SER 18 H SER 18 -0.160 12.616 -1.736 125 HA SER 18 HA SER 18 -1.745 13.019 -4.151 126 1HB SER 18 2HB SER 18 -1.065 10.796 -2.640 127 2HB SER 18 1HB SER 18 -2.770 11.020 -2.233 128 HG SER 18 HG SER 18 -1.545 10.177 -4.512 129 H SER 19 H SER 19 -4.056 13.213 -4.248 130 HA SER 19 HA SER 19 -5.213 15.071 -2.293 131 1HB SER 19 1HB SER 19 -7.038 14.985 -4.122 132 2HB SER 19 2HB SER 19 -5.454 15.635 -4.598 133 HG SER 19 HG SER 19 -6.181 14.065 -6.108 134 H VAL 20 H VAL 20 -6.163 12.113 -3.967 135 HA VAL 20 HA VAL 20 -8.241 11.345 -2.031 136 HB VAL 20 HB VAL 20 -8.396 9.317 -3.473 137 1HG1 VAL 20 1HG1 VAL 20 -6.232 10.549 -5.218 138 2HG1 VAL 20 2HG1 VAL 20 -5.989 9.156 -4.144 139 3HG1 VAL 20 3HG1 VAL 20 -7.138 9.052 -5.483 140 1HG2 VAL 20 1HG2 VAL 20 -9.179 10.449 -5.502 141 2HG2 VAL 20 2HG2 VAL 20 -8.393 11.949 -4.986 142 3HG2 VAL 20 3HG2 VAL 20 -9.727 11.263 -4.027 143 HA PRO 21 HA PRO 21 -5.758 8.875 0.691 144 1HB PRO 21 2HB PRO 21 -7.593 6.569 0.175 145 2HB PRO 21 1HB PRO 21 -7.111 7.251 1.742 146 1HG PRO 21 1HG PRO 21 -9.547 7.617 0.644 147 2HG PRO 21 2HG PRO 21 -8.756 9.006 1.463 148 1HD PRO 21 2HD PRO 21 -8.819 8.417 -1.532 149 2HD PRO 21 1HD PRO 21 -9.226 9.900 -0.703 150 H VAL 22 H VAL 22 -4.483 6.808 0.660 151 HA VAL 22 HA VAL 22 -4.066 5.587 -2.029 152 HB VAL 22 HB VAL 22 -1.854 6.981 -0.466 153 1HG1 VAL 22 1HG1 VAL 22 -0.548 6.579 -2.523 154 2HG1 VAL 22 2HG1 VAL 22 -1.109 5.063 -1.803 155 3HG1 VAL 22 3HG1 VAL 22 -1.928 5.723 -3.235 156 1HG2 VAL 22 1HG2 VAL 22 -3.195 8.750 -1.371 157 2HG2 VAL 22 2HG2 VAL 22 -1.771 8.557 -2.389 158 3HG2 VAL 22 3HG2 VAL 22 -3.325 7.931 -2.947 159 H LEU 23 H LEU 23 -4.098 3.411 -1.640 160 HA LEU 23 HA LEU 23 -3.173 2.339 0.948 161 1HB LEU 23 2HB LEU 23 -5.275 1.702 -0.709 162 2HB LEU 23 1HB LEU 23 -4.087 0.565 -1.285 163 HG LEU 23 HG LEU 23 -3.742 -0.055 1.208 164 1HD1 LEU 23 1HD2 LEU 23 -4.922 -1.473 -0.515 165 2HD1 LEU 23 2HD2 LEU 23 -5.613 -1.643 1.107 166 3HD1 LEU 23 3HD2 LEU 23 -6.436 -0.645 -0.114 167 1HD2 LEU 23 1HD1 LEU 23 -4.995 1.906 2.142 168 2HD2 LEU 23 2HD1 LEU 23 -5.632 0.339 2.680 169 3HD2 LEU 23 3HD1 LEU 23 -6.481 1.263 1.432 170 H VAL 24 H VAL 24 -0.927 2.352 1.055 171 HA VAL 24 HA VAL 24 0.648 1.644 -1.387 172 HB VAL 24 HB VAL 24 1.556 2.823 1.262 173 1HG1 VAL 24 1HG1 VAL 24 3.636 3.322 0.002 174 2HG1 VAL 24 2HG1 VAL 24 2.992 2.463 -1.411 175 3HG1 VAL 24 3HG1 VAL 24 3.363 1.583 0.086 176 1HG2 VAL 24 1HG2 VAL 24 1.062 4.143 -1.437 177 2HG2 VAL 24 2HG2 VAL 24 1.841 4.894 -0.033 178 3HG2 VAL 24 3HG2 VAL 24 0.140 4.428 0.064 179 H ASP 25 HN ASP 25 1.083 -0.574 -1.555 180 HA ASP 25 HA ASP 25 1.417 -2.170 0.932 181 1HB ASP 25 2HB ASP 25 0.040 -3.174 -0.759 182 2HB ASP 25 1HB ASP 25 1.311 -2.958 -1.963 183 H PHE 26 H PHE 26 3.453 -2.199 1.843 184 HA PHE 26 HA PHE 26 5.795 -1.489 0.185 185 1HB PHE 26 2HB PHE 26 5.514 -2.283 3.101 186 2HB PHE 26 1HB PHE 26 7.031 -1.956 2.283 187 HD1 PHE 26 HD1 PHE 26 7.948 0.167 2.659 188 HD2 PHE 26 HD2 PHE 26 3.638 -0.209 2.578 189 HE1 PHE 26 HE1 PHE 26 7.699 2.529 3.301 190 HE2 PHE 26 HE2 PHE 26 3.419 2.136 3.129 191 HZ PHE 26 HZ PHE 26 5.411 3.459 3.778 192 H TRP 27 H TRP 27 6.583 -3.050 -1.125 193 HA TRP 27 HA TRP 27 6.341 -5.903 -0.287 194 1HB TRP 27 2HB TRP 27 5.496 -6.531 -2.422 195 2HB TRP 27 1HB TRP 27 4.505 -5.181 -1.910 196 HD1 TRP 27 HD1 TRP 27 5.455 -2.744 -2.982 197 HE1 TRP 27 HE1 TRP 27 6.602 -2.194 -5.245 198 HE3 TRP 27 HE3 TRP 27 6.406 -7.507 -4.567 199 HZ2 TRP 27 HZ2 TRP 27 8.033 -3.668 -7.275 200 HZ3 TRP 27 HZ3 TRP 27 7.553 -7.889 -6.708 201 HH2 TRP 27 HH2 TRP 27 8.365 -5.989 -8.076 202 H ALA 28 H ALA 28 7.452 -7.155 -2.306 203 HA ALA 28 HA ALA 28 9.634 -5.915 -3.590 204 1HB ALA 28 1HB ALA 28 10.361 -7.755 -1.265 205 2HB ALA 28 2HB ALA 28 11.486 -7.176 -2.510 206 3HB ALA 28 3HB ALA 28 10.761 -6.021 -1.381 207 HA PRO 29 HA PRO 29 8.705 -9.614 -5.958 208 1HB PRO 29 1HB PRO 29 11.197 -10.325 -6.977 209 2HB PRO 29 2HB PRO 29 10.103 -9.063 -7.634 210 1HG PRO 29 1HG PRO 29 12.454 -8.678 -5.751 211 2HG PRO 29 2HG PRO 29 12.069 -7.750 -7.231 212 1HD PRO 29 2HD PRO 29 11.341 -6.719 -4.861 213 2HD PRO 29 1HD PRO 29 10.174 -6.730 -6.178 214 H TRP 30 H TRP 30 11.623 -9.882 -3.860 215 HA TRP 30 HA TRP 30 11.439 -12.733 -3.605 216 1HB TRP 30 2HB TRP 30 12.944 -12.419 -1.692 217 2HB TRP 30 1HB TRP 30 13.489 -11.590 -3.141 218 HD1 TRP 30 HD1 TRP 30 14.102 -9.128 -2.908 219 HE1 TRP 30 HE1 TRP 30 14.008 -7.353 -1.032 220 HE3 TRP 30 HE3 TRP 30 11.391 -11.723 0.592 221 HZ2 TRP 30 HZ2 TRP 30 12.817 -7.053 1.542 222 HZ3 TRP 30 HZ3 TRP 30 10.706 -10.623 2.693 223 HH2 TRP 30 HH2 TRP 30 11.344 -8.269 3.149 224 H CYS 31 H CYS 31 9.448 -10.207 -2.245 225 HA CYS 31 HA CYS 31 8.896 -11.626 0.267 226 1HB CYS 31 2HB CYS 31 8.862 -9.218 0.269 227 2HB CYS 31 1HB CYS 31 7.611 -9.190 -0.981 228 H GLY 32 H GLY 32 8.311 -13.651 -0.744 229 1HA GLY 32 1HA GLY 32 6.216 -14.394 -2.292 230 2HA GLY 32 2HA GLY 32 6.564 -15.208 -0.761 231 HA PRO 33 HA PRO 33 2.762 -13.853 0.997 232 1HB PRO 33 1HB PRO 33 3.177 -12.152 3.151 233 2HB PRO 33 2HB PRO 33 3.441 -13.915 3.176 234 1HG PRO 33 2HG PRO 33 5.508 -11.751 2.728 235 2HG PRO 33 1HG PRO 33 5.595 -13.150 3.827 236 1HD PRO 33 2HD PRO 33 6.775 -13.256 1.438 237 2HD PRO 33 1HD PRO 33 5.835 -14.642 2.047 238 H CYS 34 H CYS 34 4.842 -11.257 -0.146 239 HA CYS 34 HA CYS 34 2.634 -9.280 -0.196 240 1HB CYS 34 2HB CYS 34 5.323 -9.075 -1.588 241 2HB CYS 34 1HB CYS 34 4.111 -7.843 -1.265 242 H ARG 35 HN ARG 35 4.772 -10.990 -2.433 243 HA ARG 35 HA ARG 35 3.839 -10.449 -4.913 244 1HB ARG 35 2HB ARG 35 5.757 -11.951 -4.085 245 2HB ARG 35 1HB ARG 35 4.587 -13.257 -3.987 246 1HG ARG 35 1HG ARG 35 4.078 -12.790 -6.482 247 2HG ARG 35 2HG ARG 35 5.523 -11.760 -6.460 248 1HD ARG 35 1HD ARG 35 5.321 -14.719 -5.803 249 2HD ARG 35 2HD ARG 35 6.122 -14.016 -7.218 250 HE ARG 35 HE ARG 35 7.614 -12.830 -5.423 251 1HH1 ARG 35 2HH1 ARG 35 6.523 -16.213 -5.237 252 2HH1 ARG 35 1HH1 ARG 35 7.787 -16.664 -4.128 253 1HH2 ARG 35 2HH2 ARG 35 9.193 -13.412 -4.081 254 2HH2 ARG 35 1HH2 ARG 35 9.350 -15.021 -3.406 255 H ILE 36 H ILE 36 2.630 -13.149 -2.881 256 HA ILE 36 HA ILE 36 0.616 -13.872 -4.845 257 HB ILE 36 HB ILE 36 -0.129 -15.509 -3.208 258 1HG1 ILE 36 2HG1 ILE 36 1.649 -15.504 -1.100 259 2HG1 ILE 36 1HG1 ILE 36 1.330 -13.778 -1.252 260 1HG2 ILE 36 1HG2 ILE 36 1.868 -15.910 -4.625 261 2HG2 ILE 36 2HG2 ILE 36 1.923 -16.788 -3.090 262 3HG2 ILE 36 3HG2 ILE 36 2.914 -15.336 -3.311 263 1HD1 ILE 36 1HD1 ILE 36 -1.156 -14.340 -1.179 264 2HD1 ILE 36 2HD1 ILE 36 -0.268 -14.809 0.289 265 3HD1 ILE 36 3HD1 ILE 36 -0.706 -16.034 -0.914 266 H ILE 37 H ILE 37 0.553 -11.463 -2.311 267 HA ILE 37 HA ILE 37 -2.417 -11.395 -2.240 268 HB ILE 37 HB ILE 37 -0.239 -9.904 -0.714 269 1HG1 ILE 37 2HG1 ILE 37 -0.445 -12.322 -0.136 270 2HG1 ILE 37 1HG1 ILE 37 -0.844 -11.231 1.175 271 1HG2 ILE 37 1HG2 ILE 37 -2.160 -8.456 -0.753 272 2HG2 ILE 37 2HG2 ILE 37 -3.266 -9.794 -0.404 273 3HG2 ILE 37 3HG2 ILE 37 -2.103 -9.232 0.819 274 1HD1 ILE 37 1HD1 ILE 37 -2.363 -13.165 1.084 275 2HD1 ILE 37 2HD1 ILE 37 -3.248 -11.655 0.873 276 3HD1 ILE 37 3HD1 ILE 37 -2.908 -12.697 -0.528 277 H ALA 38 H ALA 38 0.350 -9.639 -3.481 278 HA ALA 38 HA ALA 38 -0.457 -7.170 -4.166 279 1HB ALA 38 1HB ALA 38 1.065 -9.083 -5.982 280 2HB ALA 38 2HB ALA 38 1.090 -7.316 -6.062 281 3HB ALA 38 3HB ALA 38 1.752 -8.142 -4.640 282 HA PRO 39 HA PRO 39 -2.687 -8.416 -8.234 283 1HB PRO 39 1HB PRO 39 -3.891 -11.082 -7.719 284 2HB PRO 39 2HB PRO 39 -2.980 -10.535 -9.150 285 1HG PRO 39 2HG PRO 39 -1.898 -12.335 -7.384 286 2HG PRO 39 1HG PRO 39 -0.888 -11.046 -8.113 287 1HD PRO 39 2HD PRO 39 -2.323 -10.986 -5.453 288 2HD PRO 39 1HD PRO 39 -0.642 -10.702 -5.679 289 H VAL 40 H VAL 40 -3.684 -9.701 -5.146 290 HA VAL 40 HA VAL 40 -6.495 -9.162 -5.336 291 HB VAL 40 HB VAL 40 -4.641 -10.771 -3.800 292 1HG1 VAL 40 1HG1 VAL 40 -4.709 -9.052 -2.050 293 2HG1 VAL 40 2HG1 VAL 40 -6.476 -9.229 -1.988 294 3HG1 VAL 40 3HG1 VAL 40 -5.407 -10.607 -1.591 295 1HG2 VAL 40 1HG2 VAL 40 -6.603 -12.020 -3.253 296 2HG2 VAL 40 2HG2 VAL 40 -6.586 -11.569 -4.962 297 3HG2 VAL 40 3HG2 VAL 40 -7.640 -10.689 -3.834 298 H VAL 41 H VAL 41 -3.568 -7.647 -3.903 299 HA VAL 41 HA VAL 41 -4.836 -5.401 -2.698 300 HB VAL 41 HB VAL 41 -2.171 -5.520 -4.194 301 1HG1 VAL 41 1HG1 VAL 41 -1.173 -5.660 -1.935 302 2HG1 VAL 41 2HG1 VAL 41 -2.194 -7.036 -2.335 303 3HG1 VAL 41 3HG1 VAL 41 -2.806 -5.783 -1.234 304 1HG2 VAL 41 1HG2 VAL 41 -2.742 -3.252 -4.122 305 2HG2 VAL 41 2HG2 VAL 41 -3.262 -3.327 -2.417 306 3HG2 VAL 41 3HG2 VAL 41 -1.550 -3.506 -2.857 307 H ASP 42 HN ASP 42 -3.739 -5.955 -6.059 308 HA ASP 42 HA ASP 42 -4.566 -3.472 -7.091 309 1HB ASP 42 2HB ASP 42 -3.157 -5.520 -8.100 310 2HB ASP 42 1HB ASP 42 -4.703 -5.943 -8.834 311 H GLU 43 HN GLU 43 -6.393 -6.627 -7.232 312 HA GLU 43 HA GLU 43 -8.650 -5.422 -8.461 313 1HB GLU 43 1HB GLU 43 -9.735 -7.383 -8.198 314 2HB GLU 43 2HB GLU 43 -8.063 -7.933 -8.123 315 1HG GLU 43 1HG GLU 43 -8.307 -7.911 -5.581 316 2HG GLU 43 2HG GLU 43 -10.025 -7.565 -5.794 317 H ILE 44 H ILE 44 -7.875 -5.802 -4.956 318 HA ILE 44 HA ILE 44 -10.317 -4.710 -3.988 319 HB ILE 44 HB ILE 44 -7.492 -4.764 -2.850 320 1HG1 ILE 44 2HG1 ILE 44 -10.039 -6.313 -2.187 321 2HG1 ILE 44 1HG1 ILE 44 -8.794 -6.954 -3.220 322 1HG2 ILE 44 1HG2 ILE 44 -10.087 -3.921 -1.480 323 2HG2 ILE 44 2HG2 ILE 44 -8.523 -4.148 -0.670 324 3HG2 ILE 44 3HG2 ILE 44 -8.712 -2.856 -1.838 325 1HD1 ILE 44 1HD1 ILE 44 -8.425 -7.878 -1.056 326 2HD1 ILE 44 2HD1 ILE 44 -8.504 -6.304 -0.269 327 3HD1 ILE 44 3HD1 ILE 44 -7.130 -6.700 -1.332 328 H ALA 45 H ALA 45 -7.244 -3.115 -5.044 329 HA ALA 45 HA ALA 45 -8.036 -0.466 -4.498 330 1HB ALA 45 1HB ALA 45 -5.815 -1.269 -5.432 331 2HB ALA 45 2HB ALA 45 -6.568 -1.312 -7.034 332 3HB ALA 45 3HB ALA 45 -6.502 0.216 -6.176 333 H GLY 46 H GLY 46 -8.705 -2.533 -7.360 334 1HA GLY 46 1HA GLY 46 -10.239 -0.748 -8.891 335 2HA GLY 46 2HA GLY 46 -10.456 -2.510 -8.856 336 H GLU 47 HN GLU 47 -11.430 -3.051 -6.367 337 HA GLU 47 HA GLU 47 -14.147 -2.522 -6.484 338 1HB GLU 47 1HB GLU 47 -12.394 -3.005 -4.034 339 2HB GLU 47 2HB GLU 47 -14.140 -3.015 -4.030 340 1HG GLU 47 1HG GLU 47 -14.234 -4.933 -5.511 341 2HG GLU 47 2HG GLU 47 -12.485 -4.884 -5.771 342 H TYR 48 H TYR 48 -11.674 -0.611 -4.819 343 HA TYR 48 HA TYR 48 -13.719 1.503 -4.173 344 1HB TYR 48 1HB TYR 48 -11.053 0.928 -2.865 345 2HB TYR 48 2HB TYR 48 -12.239 2.127 -2.337 346 HD1 TYR 48 HD1 TYR 48 -14.571 1.307 -1.602 347 HD2 TYR 48 HD2 TYR 48 -11.187 -1.318 -2.071 348 HE1 TYR 48 HE1 TYR 48 -15.846 -0.531 -0.533 349 HE2 TYR 48 HE2 TYR 48 -12.508 -3.186 -1.106 350 HH TYR 48 HH TYR 48 -15.796 -2.765 0.177 351 H LYS 49 HN LYS 49 -12.269 1.189 -6.802 352 HA LYS 49 HA LYS 49 -10.151 2.960 -6.987 353 1HB LYS 49 2HB LYS 49 -11.034 1.455 -8.811 354 2HB LYS 49 1HB LYS 49 -12.374 2.600 -9.011 355 1HG LYS 49 1HG LYS 49 -10.755 2.860 -10.766 356 2HG LYS 49 2HG LYS 49 -10.871 4.323 -9.813 357 1HD LYS 49 1HD LYS 49 -8.714 3.577 -8.595 358 2HD LYS 49 2HD LYS 49 -8.698 2.172 -9.663 359 1HE LYS 49 1HE LYS 49 -7.193 3.854 -10.550 360 2HE LYS 49 2HE LYS 49 -8.579 3.708 -11.642 361 1HZ LYS 49 1HZ LYS 49 -8.017 5.978 -11.238 362 2HZ LYS 49 2HZ LYS 49 -9.503 5.688 -10.598 363 3HZ LYS 49 3HZ LYS 49 -8.192 5.802 -9.611 364 H ASP 50 HN ASP 50 -10.024 5.057 -7.807 365 HA ASP 50 HA ASP 50 -10.270 7.294 -7.840 366 1HB ASP 50 1HB ASP 50 -13.275 6.721 -7.848 367 2HB ASP 50 2HB ASP 50 -12.523 8.283 -8.093 368 H LYS 51 HN LYS 51 -12.521 5.903 -5.434 369 HA LYS 51 HA LYS 51 -12.171 8.212 -3.678 370 1HB LYS 51 2HB LYS 51 -13.163 5.449 -2.857 371 2HB LYS 51 1HB LYS 51 -13.276 6.999 -2.055 372 1HG LYS 51 2HG LYS 51 -15.442 6.649 -2.846 373 2HG LYS 51 1HG LYS 51 -14.743 7.874 -3.903 374 1HD LYS 51 2HD LYS 51 -16.146 6.246 -5.107 375 2HD LYS 51 1HD LYS 51 -14.499 6.220 -5.703 376 1HE LYS 51 1HE LYS 51 -14.078 4.151 -4.292 377 2HE LYS 51 2HE LYS 51 -15.773 4.210 -3.767 378 1HZ LYS 51 1HZ LYS 51 -14.744 3.879 -6.492 379 2HZ LYS 51 2HZ LYS 51 -16.352 3.955 -6.108 380 3HZ LYS 51 3HZ LYS 51 -15.428 2.698 -5.566 381 H LEU 52 H LEU 52 -10.351 5.321 -4.340 382 HA LEU 52 HA LEU 52 -8.453 5.990 -2.178 383 1HB LEU 52 1HB LEU 52 -9.978 4.401 -1.152 384 2HB LEU 52 2HB LEU 52 -9.936 3.372 -2.584 385 HG LEU 52 HG LEU 52 -7.578 2.806 -2.160 386 1HD1 LEU 52 1HD2 LEU 52 -6.614 3.330 0.091 387 2HD1 LEU 52 2HD2 LEU 52 -6.812 4.765 -0.914 388 3HD1 LEU 52 3HD2 LEU 52 -7.977 4.409 0.399 389 1HD2 LEU 52 1HD1 LEU 52 -9.511 2.389 0.171 390 2HD2 LEU 52 2HD1 LEU 52 -9.464 1.433 -1.322 391 3HD2 LEU 52 3HD1 LEU 52 -8.100 1.370 -0.202 392 H LYS 53 HN LYS 53 -6.498 6.044 -3.136 393 HA LYS 53 HA LYS 53 -6.068 4.741 -5.781 394 1HB LYS 53 2HB LYS 53 -4.896 7.011 -4.356 395 2HB LYS 53 1HB LYS 53 -3.646 5.859 -4.795 396 1HG LYS 53 1HG LYS 53 -5.695 6.972 -6.744 397 2HG LYS 53 2HG LYS 53 -4.081 7.648 -6.474 398 1HD LYS 53 2HD LYS 53 -3.054 5.439 -7.092 399 2HD LYS 53 1HD LYS 53 -4.655 4.829 -7.538 400 1HE LYS 53 2HE LYS 53 -3.250 7.233 -8.788 401 2HE LYS 53 1HE LYS 53 -3.387 5.615 -9.495 402 1HZ LYS 53 1HZ LYS 53 -5.025 7.079 -10.373 403 2HZ LYS 53 2HZ LYS 53 -5.757 5.879 -9.514 404 3HZ LYS 53 3HZ LYS 53 -5.636 7.396 -8.877 405 H CYS 54 H CYS 54 -3.934 3.427 -5.886 406 HA CYS 54 HA CYS 54 -3.288 2.094 -3.372 407 1HB CYS 54 2HB CYS 54 -5.236 0.759 -4.325 408 2HB CYS 54 1HB CYS 54 -4.278 0.545 -5.774 409 HG CYS 54 HG CYS 54 -3.057 -0.046 -2.778 410 H VAL 55 H VAL 55 -1.195 1.028 -3.539 411 HA VAL 55 HA VAL 55 0.192 1.219 -6.054 412 HB VAL 55 HB VAL 55 1.733 2.812 -4.129 413 1HG1 VAL 55 1HG1 VAL 55 -0.494 3.682 -3.417 414 2HG1 VAL 55 2HG1 VAL 55 -0.764 4.264 -5.080 415 3HG1 VAL 55 3HG1 VAL 55 0.581 4.888 -4.131 416 1HG2 VAL 55 1HG2 VAL 55 1.899 4.316 -6.086 417 2HG2 VAL 55 2HG2 VAL 55 0.686 3.356 -6.943 418 3HG2 VAL 55 3HG2 VAL 55 2.255 2.630 -6.520 419 H LYS 56 HN LYS 56 2.348 0.358 -5.879 420 HA LYS 56 HA LYS 56 2.837 -1.237 -3.401 421 1HB LYS 56 1HB LYS 56 2.613 -1.925 -6.278 422 2HB LYS 56 2HB LYS 56 3.916 -2.726 -5.389 423 1HG LYS 56 1HG LYS 56 2.468 -3.620 -3.763 424 2HG LYS 56 2HG LYS 56 1.095 -2.614 -4.272 425 1HD LYS 56 1HD LYS 56 2.345 -4.747 -6.041 426 2HD LYS 56 2HD LYS 56 1.033 -5.060 -4.886 427 1HE LYS 56 1HE LYS 56 -0.358 -3.288 -6.014 428 2HE LYS 56 2HE LYS 56 0.900 -3.134 -7.252 429 1HZ LYS 56 1HZ LYS 56 -0.670 -5.547 -6.638 430 2HZ LYS 56 2HZ LYS 56 -0.818 -4.579 -7.959 431 3HZ LYS 56 3HZ LYS 56 0.552 -5.468 -7.747 432 H LEU 57 H LEU 57 4.493 -0.536 -2.362 433 HA LEU 57 HA LEU 57 6.602 1.098 -3.667 434 1HB LEU 57 1HB LEU 57 5.504 2.070 -1.793 435 2HB LEU 57 2HB LEU 57 5.837 0.658 -0.761 436 HG LEU 57 HG LEU 57 7.081 2.655 -0.226 437 1HD1 LEU 57 1HD1 LEU 57 8.542 2.226 -2.848 438 2HD1 LEU 57 2HD1 LEU 57 7.381 3.532 -2.526 439 3HD1 LEU 57 3HD1 LEU 57 8.897 3.464 -1.618 440 1HD2 LEU 57 1HD2 LEU 57 9.038 0.529 -1.090 441 2HD2 LEU 57 2HD2 LEU 57 9.059 1.570 0.351 442 3HD2 LEU 57 3HD2 LEU 57 7.880 0.261 0.215 443 H ASN 58 H ASN 58 8.298 0.025 -4.441 444 HA ASN 58 HA ASN 58 8.947 -2.674 -3.501 445 1HB ASN 58 1HB ASN 58 9.331 -2.012 -5.833 446 2HB ASN 58 2HB ASN 58 10.561 -0.857 -5.309 447 1HD2 ASN 58 2HD2 ASN 58 10.221 -3.937 -6.532 448 2HD2 ASN 58 1HD2 ASN 58 11.695 -4.637 -5.883 449 H THR 59 H THR 59 9.738 -2.967 -1.612 450 HA THR 59 HA THR 59 10.748 -0.992 0.154 451 HB THR 59 HB THR 59 10.871 -4.046 0.184 452 HG1 THR 59 HG1 THR 59 8.794 -3.353 0.073 453 1HG2 THR 59 1HG2 THR 59 12.429 -3.186 1.828 454 2HG2 THR 59 2HG2 THR 59 10.976 -3.791 2.640 455 3HG2 THR 59 3HG2 THR 59 11.211 -2.033 2.429 456 H ASP 60 HN ASP 60 12.356 -3.374 -1.913 457 HA ASP 60 HA ASP 60 14.994 -3.099 -0.717 458 1HB ASP 60 2HB ASP 60 14.280 -5.165 -1.707 459 2HB ASP 60 1HB ASP 60 13.834 -4.370 -3.207 460 H GLU 61 HN GLU 61 13.209 -1.714 -3.425 461 HA GLU 61 HA GLU 61 15.427 -0.117 -4.435 462 1HB GLU 61 2HB GLU 61 13.323 -1.049 -5.687 463 2HB GLU 61 1HB GLU 61 12.473 0.316 -4.933 464 1HG GLU 61 1HG GLU 61 13.056 1.062 -7.062 465 2HG GLU 61 2HG GLU 61 14.262 1.825 -6.027 466 H SER 62 H SER 62 12.838 0.250 -2.077 467 HA SER 62 HA SER 62 13.510 3.116 -1.588 468 1HB SER 62 1HB SER 62 10.833 1.831 -0.983 469 2HB SER 62 2HB SER 62 11.313 3.524 -1.205 470 HG SER 62 HG SER 62 11.066 1.402 -3.066 471 HA PRO 63 HA PRO 63 14.189 0.504 2.342 472 1HB PRO 63 1HB PRO 63 16.863 0.948 2.677 473 2HB PRO 63 2HB PRO 63 16.243 -0.360 1.623 474 1HG PRO 63 2HG PRO 63 17.108 2.428 0.769 475 2HG PRO 63 1HG PRO 63 17.620 0.882 0.074 476 1HD PRO 63 1HD PRO 63 15.617 2.252 -1.073 477 2HD PRO 63 2HD PRO 63 15.449 0.487 -0.900 478 H ASN 64 H ASN 64 15.318 3.516 0.995 479 HA ASN 64 HA ASN 64 15.742 5.170 3.208 480 1HB ASN 64 1HB ASN 64 14.298 5.873 0.610 481 2HB ASN 64 2HB ASN 64 14.926 7.047 1.775 482 1HD2 ASN 64 2HD2 ASN 64 15.772 7.356 -0.750 483 2HD2 ASN 64 1HD2 ASN 64 17.441 6.805 -0.908 484 H VAL 65 H VAL 65 12.635 4.747 1.507 485 HA VAL 65 HA VAL 65 11.039 6.229 3.319 486 HB VAL 65 HB VAL 65 10.243 3.916 1.479 487 1HG1 VAL 65 1HG2 VAL 65 8.603 6.223 2.594 488 2HG1 VAL 65 2HG2 VAL 65 8.518 4.559 3.185 489 3HG1 VAL 65 3HG2 VAL 65 8.026 4.920 1.523 490 1HG2 VAL 65 1HG1 VAL 65 10.425 6.919 0.985 491 2HG2 VAL 65 2HG1 VAL 65 11.386 5.658 0.185 492 3HG2 VAL 65 3HG1 VAL 65 9.642 5.749 -0.101 493 H ALA 66 H ALA 66 11.441 2.729 2.940 494 HA ALA 66 HA ALA 66 9.957 1.807 5.098 495 1HB ALA 66 1HB ALA 66 12.642 0.694 4.162 496 2HB ALA 66 2HB ALA 66 11.410 -0.183 5.085 497 3HB ALA 66 3HB ALA 66 11.062 0.345 3.425 498 H SER 67 H SER 67 13.373 2.943 5.205 499 HA SER 67 HA SER 67 13.747 2.442 7.997 500 1HB SER 67 2HB SER 67 15.163 4.457 6.189 501 2HB SER 67 1HB SER 67 15.713 3.886 7.774 502 HG SER 67 HG SER 67 15.346 2.332 5.422 503 H GLU 68 HN GLU 68 12.892 5.407 6.197 504 HA GLU 68 HA GLU 68 12.748 7.155 8.436 505 1HB GLU 68 1HB GLU 68 11.268 7.156 5.765 506 2HB GLU 68 2HB GLU 68 11.151 8.470 6.937 507 1HG GLU 68 2HG GLU 68 13.793 7.536 5.724 508 2HG GLU 68 1HG GLU 68 12.827 8.885 5.119 509 H TYR 69 H TYR 69 10.204 5.093 6.980 510 HA TYR 69 HA TYR 69 8.217 5.991 8.942 511 1HB TYR 69 2HB TYR 69 8.278 4.004 6.660 512 2HB TYR 69 1HB TYR 69 7.003 3.937 7.864 513 HD1 TYR 69 HD1 TYR 69 5.350 5.722 8.117 514 HD2 TYR 69 HD2 TYR 69 8.521 6.086 5.224 515 HE1 TYR 69 HE1 TYR 69 4.389 7.867 7.314 516 HE2 TYR 69 HE2 TYR 69 7.556 8.204 4.420 517 HH TYR 69 HH TYR 69 5.896 9.808 4.729 518 H GLY 70 H GLY 70 10.397 3.204 8.642 519 1HA GLY 70 1HA GLY 70 11.250 2.081 10.556 520 2HA GLY 70 2HA GLY 70 9.806 2.509 11.485 521 H ILE 71 H ILE 71 10.623 0.842 8.422 522 HA ILE 71 HA ILE 71 8.806 -1.423 9.127 523 HB ILE 71 HB ILE 71 9.237 -0.193 6.375 524 1HG1 ILE 71 1HG1 ILE 71 6.810 0.161 8.209 525 2HG1 ILE 71 2HG1 ILE 71 8.016 1.406 7.858 526 1HG2 ILE 71 1HG2 ILE 71 8.610 -2.578 6.297 527 2HG2 ILE 71 2HG2 ILE 71 7.250 -2.280 7.400 528 3HG2 ILE 71 3HG2 ILE 71 7.260 -1.610 5.757 529 1HD1 ILE 71 1HD1 ILE 71 6.076 0.257 5.864 530 2HD1 ILE 71 2HD1 ILE 71 7.570 1.130 5.434 531 3HD1 ILE 71 3HD1 ILE 71 6.323 1.934 6.384 532 H ARG 72 HN ARG 72 9.517 -3.444 8.231 533 HA ARG 72 HA ARG 72 12.115 -3.617 6.898 534 1HB ARG 72 1HB ARG 72 12.790 -3.504 9.260 535 2HB ARG 72 2HB ARG 72 11.692 -4.826 9.678 536 1HG ARG 72 2HG ARG 72 12.976 -6.347 8.164 537 2HG ARG 72 1HG ARG 72 14.048 -5.003 7.738 538 1HD ARG 72 2HD ARG 72 14.782 -4.799 10.067 539 2HD ARG 72 1HD ARG 72 13.684 -6.077 10.582 540 HE ARG 72 HE ARG 72 16.266 -6.332 9.269 541 1HH1 ARG 72 1HH2 ARG 72 13.172 -7.964 9.751 542 2HH1 ARG 72 2HH2 ARG 72 13.807 -9.564 9.477 543 1HH2 ARG 72 1HH1 ARG 72 17.108 -8.406 8.885 544 2HH2 ARG 72 2HH1 ARG 72 16.087 -9.815 8.963 545 H SER 73 H SER 73 9.990 -5.844 8.857 546 HA SER 73 HA SER 73 9.912 -7.829 6.800 547 1HB SER 73 2HB SER 73 7.731 -8.360 8.320 548 2HB SER 73 1HB SER 73 9.379 -8.732 8.817 549 HG SER 73 HG SER 73 7.843 -6.432 9.513 550 H ILE 74 H ILE 74 8.058 -8.376 5.498 551 HA ILE 74 HA ILE 74 6.046 -6.364 5.049 552 HB ILE 74 HB ILE 74 6.640 -6.487 2.509 553 1HG1 ILE 74 1HG1 ILE 74 9.457 -6.879 3.551 554 2HG1 ILE 74 2HG1 ILE 74 8.492 -8.193 2.854 555 1HG2 ILE 74 1HG2 ILE 74 6.743 -4.456 4.022 556 2HG2 ILE 74 2HG2 ILE 74 7.873 -4.417 2.676 557 3HG2 ILE 74 3HG2 ILE 74 8.460 -4.817 4.294 558 1HD1 ILE 74 1HD1 ILE 74 9.274 -5.608 1.438 559 2HD1 ILE 74 2HD1 ILE 74 8.199 -6.855 0.772 560 3HD1 ILE 74 3HD1 ILE 74 9.890 -7.221 1.106 561 HA PRO 75 HA PRO 75 4.352 -6.593 2.786 562 1HB PRO 75 1HB PRO 75 1.702 -7.109 3.249 563 2HB PRO 75 2HB PRO 75 2.640 -7.887 1.948 564 1HG PRO 75 2HG PRO 75 2.225 -8.924 4.784 565 2HG PRO 75 1HG PRO 75 1.742 -9.758 3.300 566 1HD PRO 75 2HD PRO 75 4.163 -10.374 4.346 567 2HD PRO 75 1HD PRO 75 4.143 -9.906 2.640 568 H THR 76 H THR 76 3.447 -4.795 3.489 569 HA THR 76 HA THR 76 2.294 -4.361 6.094 570 HB THR 76 HB THR 76 5.079 -3.305 5.495 571 HG1 THR 76 HG1 THR 76 4.439 -5.329 6.760 572 1HG2 THR 76 1HG2 THR 76 3.046 -2.315 7.552 573 2HG2 THR 76 2HG2 THR 76 3.742 -1.364 6.219 574 3HG2 THR 76 3HG2 THR 76 4.772 -1.907 7.552 575 H ILE 77 H ILE 77 0.552 -3.499 5.093 576 HA ILE 77 HA ILE 77 0.985 -1.617 2.846 577 HB ILE 77 HB ILE 77 -0.298 -3.557 2.189 578 1HG1 ILE 77 2HG1 ILE 77 -2.172 -1.170 2.490 579 2HG1 ILE 77 1HG1 ILE 77 -0.864 -1.282 1.308 580 1HG2 ILE 77 1HG2 ILE 77 -2.288 -2.839 4.391 581 2HG2 ILE 77 2HG2 ILE 77 -1.212 -4.262 4.352 582 3HG2 ILE 77 3HG2 ILE 77 -2.494 -4.102 3.167 583 1HD1 ILE 77 1HD1 ILE 77 -3.378 -2.953 1.403 584 2HD1 ILE 77 2HD1 ILE 77 -2.731 -1.951 0.089 585 3HD1 ILE 77 3HD1 ILE 77 -1.941 -3.477 0.499 586 H MET 78 H MET 78 0.652 0.472 3.192 587 HA MET 78 HA MET 78 -0.488 1.289 5.838 588 1HB MET 78 1HB MET 78 1.441 2.693 3.982 589 2HB MET 78 2HB MET 78 0.777 3.373 5.475 590 1HG MET 78 1HG MET 78 1.768 1.418 6.714 591 2HG MET 78 2HG MET 78 2.629 0.979 5.253 592 1HE MET 78 1HE MET 78 4.889 2.605 8.268 593 2HE MET 78 2HE MET 78 3.222 2.071 8.559 594 3HE MET 78 3HE MET 78 4.315 1.059 7.592 595 H VAL 79 H VAL 79 -1.978 2.901 5.918 596 HA VAL 79 HA VAL 79 -3.441 3.491 3.377 597 HB VAL 79 HB VAL 79 -4.348 4.018 6.240 598 1HG1 VAL 79 1HG1 VAL 79 -5.879 2.111 5.859 599 2HG1 VAL 79 2HG1 VAL 79 -4.939 1.672 4.419 600 3HG1 VAL 79 3HG1 VAL 79 -4.179 1.624 6.018 601 1HG2 VAL 79 1HG2 VAL 79 -6.530 4.328 5.089 602 2HG2 VAL 79 2HG2 VAL 79 -5.732 4.065 3.520 603 3HG2 VAL 79 3HG2 VAL 79 -5.327 5.481 4.501 604 H PHE 80 H PHE 80 -2.364 5.193 2.485 605 HA PHE 80 HA PHE 80 -1.477 7.457 4.200 606 1HB PHE 80 1HB PHE 80 -0.830 6.414 1.476 607 2HB PHE 80 2HB PHE 80 -0.594 8.128 1.808 608 HD1 PHE 80 HD1 PHE 80 0.631 4.728 2.583 609 HD2 PHE 80 HD2 PHE 80 0.987 8.925 3.500 610 HE1 PHE 80 HE1 PHE 80 2.901 4.347 3.549 611 HE2 PHE 80 HE2 PHE 80 3.162 8.515 4.584 612 HZ PHE 80 HZ PHE 80 4.099 6.187 4.663 613 H LYS 81 HN LYS 81 -1.899 9.528 3.670 614 HA LYS 81 HA LYS 81 -3.773 10.317 1.652 615 1HB LYS 81 2HB LYS 81 -5.482 11.263 2.965 616 2HB LYS 81 1HB LYS 81 -5.308 9.617 3.542 617 1HG LYS 81 2HG LYS 81 -4.539 12.191 4.977 618 2HG LYS 81 1HG LYS 81 -5.738 10.977 5.404 619 1HD LYS 81 2HD LYS 81 -3.866 9.325 5.760 620 2HD LYS 81 1HD LYS 81 -2.727 10.634 5.390 621 1HE LYS 81 2HE LYS 81 -2.888 10.324 7.798 622 2HE LYS 81 1HE LYS 81 -3.418 11.937 7.302 623 1HZ LYS 81 1HZ LYS 81 -5.207 9.688 7.932 624 2HZ LYS 81 2HZ LYS 81 -4.859 10.947 8.932 625 3HZ LYS 81 3HZ LYS 81 -5.673 11.215 7.527 626 H GLY 82 H GLY 82 -4.026 12.943 2.976 627 1HA GLY 82 2HA GLY 82 -2.037 14.513 2.194 628 2HA GLY 82 1HA GLY 82 -2.847 14.712 3.764 629 H GLY 83 H GLY 83 0.125 13.616 2.192 630 1HA GLY 83 2HA GLY 83 2.239 13.467 2.983 631 2HA GLY 83 1HA GLY 83 1.729 14.272 4.460 632 H LYS 84 HN LYS 84 0.464 12.818 5.984 633 HA LYS 84 HA LYS 84 2.339 10.630 6.611 634 1HB LYS 84 1HB LYS 84 -0.019 11.772 8.172 635 2HB LYS 84 2HB LYS 84 1.187 10.638 8.800 636 1HG LYS 84 1HG LYS 84 2.982 12.320 8.354 637 2HG LYS 84 2HG LYS 84 1.740 13.483 7.845 638 1HD LYS 84 1HD LYS 84 0.656 13.305 10.075 639 2HD LYS 84 2HD LYS 84 1.911 12.161 10.593 640 1HE LYS 84 1HE LYS 84 3.652 13.902 10.217 641 2HE LYS 84 2HE LYS 84 2.397 15.046 9.699 642 1HZ LYS 84 1HZ LYS 84 1.428 14.865 11.874 643 2HZ LYS 84 2HZ LYS 84 2.995 15.363 11.972 644 3HZ LYS 84 3HZ LYS 84 2.600 13.810 12.355 645 H LYS 85 HN LYS 85 1.461 8.683 7.716 646 HA LYS 85 HA LYS 85 -0.643 7.372 6.096 647 1HB LYS 85 2HB LYS 85 0.120 5.304 7.054 648 2HB LYS 85 1HB LYS 85 1.435 6.143 6.263 649 1HG LYS 85 2HG LYS 85 2.673 6.196 8.100 650 2HG LYS 85 1HG LYS 85 1.394 6.915 9.086 651 1HD LYS 85 1HD LYS 85 1.629 3.954 8.430 652 2HD LYS 85 2HD LYS 85 2.224 4.716 9.919 653 1HE LYS 85 2HE LYS 85 -0.129 5.535 10.388 654 2HE LYS 85 1HE LYS 85 -0.684 4.574 9.005 655 1HZ LYS 85 1HZ LYS 85 0.126 2.630 10.095 656 2HZ LYS 85 2HZ LYS 85 0.660 3.517 11.380 657 3HZ LYS 85 3HZ LYS 85 -0.951 3.433 11.053 658 H CYS 86 H CYS 86 -2.317 6.237 7.211 659 HA CYS 86 HA CYS 86 -3.178 7.559 9.749 660 1HB CYS 86 2HB CYS 86 -4.529 7.807 7.603 661 2HB CYS 86 1HB CYS 86 -4.904 6.088 7.706 662 HG CYS 86 HG CYS 86 -5.520 6.432 10.440 663 H GLU 87 HN GLU 87 -3.490 4.451 8.008 664 HA GLU 87 HA GLU 87 -3.197 2.911 10.539 665 1HB GLU 87 2HB GLU 87 -5.267 2.289 8.397 666 2HB GLU 87 1HB GLU 87 -5.061 1.511 9.974 667 1HG GLU 87 1HG GLU 87 -6.075 4.336 9.461 668 2HG GLU 87 2HG GLU 87 -7.021 2.951 9.981 669 H THR 88 H THR 88 -3.084 0.382 9.732 670 HA THR 88 HA THR 88 -1.910 0.035 7.158 671 HB THR 88 HB THR 88 0.021 1.067 8.313 672 HG1 THR 88 HG1 THR 88 0.319 -0.815 6.916 673 1HG2 THR 88 1HG2 THR 88 1.082 -0.019 10.260 674 2HG2 THR 88 2HG2 THR 88 -0.556 0.520 10.667 675 3HG2 THR 88 3HG2 THR 88 -0.240 -1.195 10.349 676 H ILE 89 H ILE 89 -1.185 -2.325 6.882 677 HA ILE 89 HA ILE 89 -2.321 -4.203 8.844 678 HB ILE 89 HB ILE 89 -2.854 -4.659 5.877 679 1HG1 ILE 89 2HG1 ILE 89 -4.863 -3.322 7.715 680 2HG1 ILE 89 1HG1 ILE 89 -3.973 -2.480 6.431 681 1HG2 ILE 89 1HG2 ILE 89 -4.548 -6.216 6.731 682 2HG2 ILE 89 2HG2 ILE 89 -4.265 -5.652 8.389 683 3HG2 ILE 89 3HG2 ILE 89 -3.013 -6.546 7.505 684 1HD1 ILE 89 1HD1 ILE 89 -6.141 -3.007 5.591 685 2HD1 ILE 89 2HD1 ILE 89 -4.921 -3.954 4.720 686 3HD1 ILE 89 3HD1 ILE 89 -5.941 -4.727 5.951 687 H ILE 90 H ILE 90 -1.243 -6.256 8.742 688 HA ILE 90 HA ILE 90 1.245 -6.368 7.121 689 HB ILE 90 HB ILE 90 1.022 -6.825 10.157 690 1HG1 ILE 90 1HG1 ILE 90 2.626 -4.653 10.037 691 2HG1 ILE 90 2HG1 ILE 90 1.618 -4.272 8.666 692 1HG2 ILE 90 1HG2 ILE 90 3.462 -6.796 10.147 693 2HG2 ILE 90 2HG2 ILE 90 3.485 -6.508 8.403 694 3HG2 ILE 90 3HG2 ILE 90 2.881 -8.047 9.055 695 1HD1 ILE 90 1HD1 ILE 90 0.832 -3.274 10.790 696 2HD1 ILE 90 2HD1 ILE 90 -0.383 -4.444 10.256 697 3HD1 ILE 90 3HD1 ILE 90 0.752 -4.871 11.547 698 H GLY 91 H GLY 91 2.022 -8.441 6.852 699 1HA GLY 91 1HA GLY 91 1.986 -10.754 6.835 700 2HA GLY 91 2HA GLY 91 0.597 -10.770 7.934 701 H ALA 92 H ALA 92 0.952 -12.389 5.545 702 HA ALA 92 HA ALA 92 -0.678 -11.284 3.405 703 1HB ALA 92 1HB ALA 92 0.390 -14.089 3.958 704 2HB ALA 92 2HB ALA 92 1.083 -12.857 2.878 705 3HB ALA 92 3HB ALA 92 -0.462 -13.601 2.479 706 H VAL 93 H VAL 93 -2.419 -10.721 5.112 707 HA VAL 93 HA VAL 93 -4.097 -12.974 5.913 708 HB VAL 93 HB VAL 93 -5.642 -11.340 6.763 709 1HG1 VAL 93 1HG2 VAL 93 -5.142 -8.897 6.671 710 2HG1 VAL 93 2HG2 VAL 93 -5.591 -9.576 5.108 711 3HG1 VAL 93 3HG2 VAL 93 -3.886 -9.208 5.457 712 1HG2 VAL 93 1HG1 VAL 93 -4.220 -10.318 8.448 713 2HG2 VAL 93 2HG1 VAL 93 -3.623 -11.946 8.083 714 3HG2 VAL 93 3HG1 VAL 93 -2.782 -10.522 7.434 715 HA PRO 94 HA PRO 94 -6.139 -13.495 2.037 716 1HB PRO 94 2HB PRO 94 -8.718 -13.640 3.606 717 2HB PRO 94 1HB PRO 94 -8.155 -14.729 2.307 718 1HG PRO 94 2HG PRO 94 -7.906 -15.491 4.901 719 2HG PRO 94 1HG PRO 94 -6.556 -15.756 3.758 720 1HD PRO 94 1HD PRO 94 -6.830 -13.590 5.841 721 2HD PRO 94 2HD PRO 94 -5.411 -14.550 5.351 722 H LYS 95 HN LYS 95 -7.496 -12.505 0.485 723 HA LYS 95 HA LYS 95 -7.654 -9.762 0.441 724 1HB LYS 95 1HB LYS 95 -9.211 -9.994 -1.399 725 2HB LYS 95 2HB LYS 95 -7.871 -11.145 -1.537 726 1HG LYS 95 1HG LYS 95 -9.399 -12.964 -0.765 727 2HG LYS 95 2HG LYS 95 -10.742 -11.810 -0.726 728 1HD LYS 95 2HD LYS 95 -9.135 -12.611 -3.178 729 2HD LYS 95 1HD LYS 95 -10.775 -13.114 -2.781 730 1HE LYS 95 2HE LYS 95 -9.885 -10.271 -3.490 731 2HE LYS 95 1HE LYS 95 -10.838 -11.373 -4.472 732 1HZ LYS 95 1HZ LYS 95 -11.669 -10.233 -1.904 733 2HZ LYS 95 2HZ LYS 95 -12.558 -11.281 -2.818 734 3HZ LYS 95 3HZ LYS 95 -12.199 -9.779 -3.395 735 H ALA 96 H ALA 96 -10.140 -11.999 1.390 736 HA ALA 96 HA ALA 96 -12.337 -10.297 1.848 737 1HB ALA 96 1HB ALA 96 -13.124 -12.001 3.464 738 2HB ALA 96 2HB ALA 96 -11.510 -12.744 3.483 739 3HB ALA 96 3HB ALA 96 -12.480 -12.755 1.993 740 H THR 97 H THR 97 -9.700 -11.161 4.177 741 HA THR 97 HA THR 97 -10.668 -9.496 6.285 742 HB THR 97 HB THR 97 -7.796 -9.813 6.394 743 HG1 THR 97 HG1 THR 97 -7.914 -11.423 4.889 744 1HG2 THR 97 1HG2 THR 97 -8.340 -11.302 8.269 745 2HG2 THR 97 2HG2 THR 97 -10.038 -11.367 7.752 746 3HG2 THR 97 3HG2 THR 97 -9.336 -9.833 8.327 747 H ILE 98 H ILE 98 -8.278 -9.041 3.627 748 HA ILE 98 HA ILE 98 -7.406 -6.461 4.415 749 HB ILE 98 HB ILE 98 -7.657 -7.604 1.593 750 1HG1 ILE 98 1HG1 ILE 98 -5.321 -7.484 3.557 751 2HG1 ILE 98 2HG1 ILE 98 -6.224 -8.927 3.077 752 1HG2 ILE 98 1HG2 ILE 98 -6.042 -5.847 0.952 753 2HG2 ILE 98 2HG2 ILE 98 -6.026 -5.229 2.616 754 3HG2 ILE 98 3HG2 ILE 98 -7.478 -5.090 1.610 755 1HD1 ILE 98 1HD1 ILE 98 -4.214 -8.970 1.870 756 2HD1 ILE 98 2HD1 ILE 98 -5.491 -8.565 0.707 757 3HD1 ILE 98 3HD1 ILE 98 -4.385 -7.303 1.308 758 H VAL 99 H VAL 99 -10.075 -7.316 2.128 759 HA VAL 99 HA VAL 99 -11.029 -4.753 1.576 760 HB VAL 99 HB VAL 99 -12.452 -7.439 1.847 761 1HG1 VAL 99 1HG1 VAL 99 -13.568 -4.784 0.875 762 2HG1 VAL 99 2HG1 VAL 99 -14.308 -6.357 0.513 763 3HG1 VAL 99 3HG1 VAL 99 -14.216 -5.797 2.184 764 1HG2 VAL 99 1HG2 VAL 99 -11.702 -5.747 -0.576 765 2HG2 VAL 99 2HG2 VAL 99 -10.792 -7.163 -0.014 766 3HG2 VAL 99 3HG2 VAL 99 -12.445 -7.358 -0.608 767 H GLN 100 H GLN 100 -12.208 -6.942 4.203 768 HA GLN 100 HA GLN 100 -14.006 -5.093 5.362 769 1HB GLN 100 2HB GLN 100 -12.371 -7.380 6.526 770 2HB GLN 100 1HB GLN 100 -13.563 -6.481 7.482 771 1HG GLN 100 1HG GLN 100 -15.366 -7.082 6.052 772 2HG GLN 100 2HG GLN 100 -14.299 -7.760 4.817 773 1HE2 GLN 100 1HE2 GLN 100 -12.947 -9.616 5.438 774 2HE2 GLN 100 2HE2 GLN 100 -13.617 -10.801 6.572 775 H THR 101 H THR 101 -10.547 -5.623 6.104 776 HA THR 101 HA THR 101 -10.429 -3.686 8.209 777 HB THR 101 HB THR 101 -8.189 -4.694 6.419 778 HG1 THR 101 HG1 THR 101 -9.242 -6.421 7.343 779 1HG2 THR 101 1HG2 THR 101 -6.830 -4.321 8.503 780 2HG2 THR 101 2HG2 THR 101 -7.486 -2.815 7.826 781 3HG2 THR 101 3HG2 THR 101 -8.237 -3.552 9.259 782 H VAL 102 H VAL 102 -9.852 -3.422 4.674 783 HA VAL 102 HA VAL 102 -8.913 -0.720 4.692 784 HB VAL 102 HB VAL 102 -10.226 -2.481 2.583 785 1HG1 VAL 102 1HG1 VAL 102 -7.435 -1.276 2.785 786 2HG1 VAL 102 2HG1 VAL 102 -8.001 -2.478 1.604 787 3HG1 VAL 102 3HG1 VAL 102 -7.826 -2.915 3.312 788 1HG2 VAL 102 1HG2 VAL 102 -9.241 0.385 2.253 789 2HG2 VAL 102 2HG2 VAL 102 -9.583 -0.736 0.918 790 3HG2 VAL 102 3HG2 VAL 102 -10.894 -0.209 1.974 791 H GLU 103 HN GLU 103 -12.178 -2.130 4.238 792 HA GLU 103 HA GLU 103 -13.529 0.345 4.034 793 1HB GLU 103 2HB GLU 103 -14.421 -2.388 5.068 794 2HB GLU 103 1HB GLU 103 -15.520 -1.027 4.811 795 1HG GLU 103 1HG GLU 103 -14.962 -0.911 2.445 796 2HG GLU 103 2HG GLU 103 -13.766 -2.201 2.603 797 H LYS 104 HN LYS 104 -12.938 -1.672 6.916 798 HA LYS 104 HA LYS 104 -14.079 -0.085 8.918 799 1HB LYS 104 1HB LYS 104 -13.119 -2.256 9.389 800 2HB LYS 104 2HB LYS 104 -11.532 -1.721 8.851 801 1HG LYS 104 2HG LYS 104 -11.607 -0.027 10.834 802 2HG LYS 104 1HG LYS 104 -12.916 -1.035 11.442 803 1HD LYS 104 2HD LYS 104 -10.075 -1.893 10.654 804 2HD LYS 104 1HD LYS 104 -10.628 -1.628 12.305 805 1HE LYS 104 1HE LYS 104 -11.619 -3.813 10.400 806 2HE LYS 104 2HE LYS 104 -10.545 -4.031 11.785 807 1HZ LYS 104 1HZ LYS 104 -13.330 -3.115 11.907 808 2HZ LYS 104 2HZ LYS 104 -12.773 -4.607 12.326 809 3HZ LYS 104 3HZ LYS 104 -12.324 -3.286 13.203 810 H TYR 105 H TYR 105 -10.753 0.198 7.542 811 HA TYR 105 HA TYR 105 -10.135 2.599 9.064 812 1HB TYR 105 2HB TYR 105 -8.890 1.442 6.552 813 2HB TYR 105 1HB TYR 105 -8.154 2.651 7.599 814 HD1 TYR 105 HD1 TYR 105 -6.762 0.209 6.707 815 HD2 TYR 105 HD2 TYR 105 -9.168 0.894 10.223 816 HE1 TYR 105 HE1 TYR 105 -5.147 -1.056 8.066 817 HE2 TYR 105 HE2 TYR 105 -7.666 -0.575 11.520 818 HH TYR 105 HH TYR 105 -4.605 -1.850 10.183 819 H LEU 106 H LEU 106 -11.781 2.049 5.985 820 HA LEU 106 HA LEU 106 -11.751 4.932 5.366 821 1HB LEU 106 1HB LEU 106 -9.665 3.545 4.567 822 2HB LEU 106 2HB LEU 106 -10.737 2.805 3.414 823 HG LEU 106 HG LEU 106 -9.348 4.546 2.538 824 1HD1 LEU 106 1HD2 LEU 106 -10.865 6.609 4.187 825 2HD1 LEU 106 2HD2 LEU 106 -9.239 5.996 4.569 826 3HD1 LEU 106 3HD2 LEU 106 -9.527 6.889 3.066 827 1HD2 LEU 106 1HD1 LEU 106 -12.270 5.437 2.445 828 2HD2 LEU 106 2HD1 LEU 106 -11.563 4.124 1.476 829 3HD2 LEU 106 3HD1 LEU 106 -11.020 5.793 1.241 830 H ASN 107 H ASN 107 -14.077 4.728 5.795 831 HA ASN 107 HA ASN 107 -15.601 4.291 3.461 832 1HB ASN 107 2HB ASN 107 -15.354 1.909 4.482 833 2HB ASN 107 1HB ASN 107 -16.322 2.509 5.833 834 1HD2 ASN 107 2HD2 ASN 107 -18.228 4.076 4.338 835 2HD2 ASN 107 1HD2 ASN 107 -19.166 2.949 3.342
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