NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24044 | 2jzz | 7111 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -11.015 -8.435 3.456 2 H1 MET 1 HN MET 1 -10.782 -6.330 5.524 3 HB2 MET 1 2HB MET 1 -12.085 -6.605 2.479 4 HB3 MET 1 3HB MET 1 -10.991 -5.450 3.181 5 HG2 MET 1 2HG MET 1 -9.187 -6.228 1.626 6 HG3 MET 1 3HG MET 1 -10.356 -7.332 0.891 7 HE1 MET 1 3HE MET 1 -10.442 -3.518 2.045 8 HE2 MET 1 1HE MET 1 -8.940 -3.655 1.096 9 HE3 MET 1 2HE MET 1 -10.301 -2.711 0.474 10 H GLN 2 HN GLN 2 -8.993 -8.649 2.110 11 HA GLN 2 HA GLN 2 -6.651 -7.404 3.291 12 HB2 GLN 2 2HB GLN 2 -5.312 -9.488 3.038 13 HB3 GLN 2 3HB GLN 2 -6.516 -9.610 4.322 14 HG2 GLN 2 2HG GLN 2 -7.990 -10.926 2.899 15 HG3 GLN 2 3HG GLN 2 -6.969 -10.652 1.485 16 HE21 GLN 2 1HE2 GLN 2 -6.246 -12.640 0.974 17 HE22 GLN 2 2HE2 GLN 2 -5.345 -13.683 2.080 18 H ILE 3 HN ILE 3 -4.906 -7.332 1.704 19 HA ILE 3 HA ILE 3 -5.682 -7.808 -1.111 20 HB ILE 3 HB ILE 3 -4.809 -5.625 -1.731 21 HG12 ILE 3 2HG1 ILE 3 -4.518 -5.065 1.232 22 HG13 ILE 3 3HG1 ILE 3 -3.206 -5.276 0.076 23 HG21 ILE 3 1HG2 ILE 3 -6.965 -5.281 0.412 24 HG22 ILE 3 2HG2 ILE 3 -6.747 -4.273 -1.017 25 HG23 ILE 3 3HG2 ILE 3 -7.267 -5.955 -1.193 26 HD11 ILE 3 3HD1 ILE 3 -5.195 -2.977 -0.005 27 HD12 ILE 3 1HD1 ILE 3 -3.545 -2.926 0.631 28 HD13 ILE 3 2HD1 ILE 3 -3.788 -3.242 -1.077 29 H PHE 4 HN PHE 4 -3.695 -7.791 -2.498 30 HA PHE 4 HA PHE 4 -1.344 -8.957 -1.154 31 HD1 PHE 4 HD2 PHE 4 -0.824 -11.219 -2.082 32 HD2 PHE 4 HD1 PHE 4 -3.647 -9.587 -4.928 33 HE1 PHE 4 HE2 PHE 4 -1.743 -13.479 -2.485 34 HE2 PHE 4 HE1 PHE 4 -4.594 -11.828 -5.265 35 HZ PHE 4 HZ PHE 4 -3.643 -13.799 -4.061 36 HB2 PHE 4 2HB PHE 4 -1.992 -8.191 -4.025 37 HB3 PHE 4 3HB PHE 4 -0.495 -8.936 -3.539 38 H VAL 5 HN VAL 5 0.760 -7.970 -1.346 39 HA VAL 5 HA VAL 5 0.997 -5.426 -2.778 40 HB VAL 5 HB VAL 5 1.781 -5.918 0.126 41 HG11 VAL 5 1HG1 VAL 5 2.916 -3.967 -1.864 42 HG12 VAL 5 2HG1 VAL 5 3.053 -3.774 -0.081 43 HG13 VAL 5 3HG1 VAL 5 3.816 -5.141 -0.874 44 HG21 VAL 5 3HG2 VAL 5 0.874 -3.578 0.395 45 HG22 VAL 5 1HG2 VAL 5 0.317 -3.680 -1.293 46 HG23 VAL 5 2HG2 VAL 5 -0.324 -4.783 -0.065 47 H LYS 6 HN LYS 6 2.584 -5.768 -4.271 48 HA LYS 6 HA LYS 6 4.533 -7.962 -3.998 49 HB2 LYS 6 2HB LYS 6 4.167 -5.735 -6.058 50 HB3 LYS 6 3HB LYS 6 5.447 -6.950 -6.117 51 HG2 LYS 6 2HG LYS 6 3.812 -8.751 -6.302 52 HG3 LYS 6 3HG LYS 6 2.465 -7.596 -6.167 53 HD2 LYS 6 2HD LYS 6 3.267 -6.428 -8.204 54 HD3 LYS 6 3HD LYS 6 4.582 -7.616 -8.368 55 HE2 LYS 6 2HE LYS 6 3.035 -9.418 -8.748 56 HE3 LYS 6 3HE LYS 6 1.653 -8.432 -8.244 57 HZ1 LYS 6 3HZ LYS 6 3.286 -7.797 -10.601 58 HZ2 LYS 6 1HZ LYS 6 1.857 -8.639 -10.664 59 HZ3 LYS 6 2HZ LYS 6 1.898 -7.076 -10.151 60 H THR 7 HN THR 7 6.462 -7.663 -2.940 61 HA THR 7 HA THR 7 8.013 -5.327 -3.111 62 HB THR 7 HB THR 7 6.208 -4.579 -1.501 63 HG1 THR 7 HG1 THR 7 8.060 -4.140 0.166 64 HG21 THR 7 3HG2 THR 7 5.824 -6.733 -0.332 65 HG22 THR 7 1HG2 THR 7 7.421 -6.598 0.421 66 HG23 THR 7 2HG2 THR 7 6.171 -5.401 0.777 67 H LEU 8 HN LEU 8 9.768 -5.598 -1.329 68 HA LEU 8 HA LEU 8 11.663 -6.801 -0.857 69 HG LEU 8 HG LEU 8 12.363 -6.294 1.304 70 HB2 LEU 8 2HB LEU 8 9.919 -6.269 1.022 71 HB3 LEU 8 3HB LEU 8 9.823 -8.000 1.222 72 HD11 LEU 8 1HD1 LEU 8 10.706 -7.485 3.545 73 HD12 LEU 8 2HD1 LEU 8 12.268 -6.675 3.763 74 HD13 LEU 8 3HD1 LEU 8 10.864 -5.770 3.160 75 HD21 LEU 8 3HD2 LEU 8 13.461 -8.236 2.369 76 HD22 LEU 8 1HD2 LEU 8 12.018 -9.210 2.067 77 HD23 LEU 8 2HD2 LEU 8 12.996 -8.572 0.709 78 H THR 9 HN THR 9 10.429 -9.685 0.548 79 HA THR 9 HA THR 9 10.198 -11.224 -1.818 80 HB THR 9 HB THR 9 12.729 -10.944 -1.614 81 HG1 THR 9 HG1 THR 9 12.997 -13.308 -1.803 82 HG21 THR 9 3HG2 THR 9 12.472 -12.865 0.737 83 HG22 THR 9 1HG2 THR 9 13.951 -12.217 0.006 84 HG23 THR 9 2HG2 THR 9 12.882 -11.140 0.891 85 H GLY 10 HN GLY 10 9.492 -13.384 -1.237 86 HA2 GLY 10 1HA GLY 10 8.816 -14.903 0.659 87 HA3 GLY 10 2HA GLY 10 8.248 -13.461 1.499 88 H LYS 11 HN LYS 11 7.971 -14.482 -1.911 89 HA LYS 11 HA LYS 11 6.258 -14.560 -3.373 90 HB2 LYS 11 2HB LYS 11 5.224 -16.364 -1.150 91 HB3 LYS 11 3HB LYS 11 4.622 -16.325 -2.808 92 HG2 LYS 11 2HG LYS 11 7.021 -16.838 -3.574 93 HG3 LYS 11 3HG LYS 11 7.390 -17.158 -1.877 94 HD2 LYS 11 2HD LYS 11 6.883 -19.267 -2.904 95 HD3 LYS 11 3HD LYS 11 5.488 -18.842 -1.884 96 HE2 LYS 11 2HE LYS 11 4.310 -17.960 -3.901 97 HE3 LYS 11 3HE LYS 11 5.689 -18.452 -4.910 98 HZ1 LYS 11 3HZ LYS 11 5.228 -20.716 -4.338 99 HZ2 LYS 11 1HZ LYS 11 4.017 -20.259 -3.287 100 HZ3 LYS 11 2HZ LYS 11 3.848 -19.994 -4.899 101 H THR 12 HN THR 12 5.950 -12.125 -2.234 102 HA THR 12 HA THR 12 4.519 -10.408 -2.286 103 HB THR 12 HB THR 12 2.231 -12.337 -2.812 104 HG1 THR 12 HG1 THR 12 3.956 -12.430 -4.320 105 HG21 THR 12 3HG2 THR 12 2.482 -9.398 -3.475 106 HG22 THR 12 1HG2 THR 12 1.097 -10.456 -3.729 107 HG23 THR 12 2HG2 THR 12 1.557 -10.041 -2.078 108 H ILE 13 HN ILE 13 3.734 -9.274 -0.578 109 HA ILE 13 HA ILE 13 3.161 -10.869 1.817 110 HB ILE 13 HB ILE 13 4.949 -9.025 1.468 111 HG12 ILE 13 2HG1 ILE 13 4.418 -10.297 3.508 112 HG13 ILE 13 3HG1 ILE 13 5.103 -8.700 3.722 113 HG21 ILE 13 1HG2 ILE 13 3.652 -7.213 0.614 114 HG22 ILE 13 2HG2 ILE 13 2.616 -7.186 2.049 115 HG23 ILE 13 3HG2 ILE 13 4.344 -6.778 2.181 116 HD11 ILE 13 3HD1 ILE 13 2.165 -9.372 4.061 117 HD12 ILE 13 1HD1 ILE 13 3.349 -9.103 5.322 118 HD13 ILE 13 2HD1 ILE 13 2.914 -7.764 4.256 119 H THR 14 HN THR 14 1.186 -10.629 2.990 120 HA THR 14 HA THR 14 -1.070 -9.580 1.372 121 HB THR 14 HB THR 14 -1.151 -11.793 3.456 122 HG1 THR 14 HG1 THR 14 0.042 -12.576 1.756 123 HG21 THR 14 3HG2 THR 14 -3.082 -10.934 1.239 124 HG22 THR 14 1HG2 THR 14 -3.277 -12.331 2.333 125 HG23 THR 14 2HG2 THR 14 -3.320 -10.695 2.984 126 H LEU 15 HN LEU 15 -2.608 -8.344 2.380 127 HA LEU 15 HA LEU 15 -1.589 -6.942 4.778 128 HG LEU 15 HG LEU 15 -0.705 -4.053 2.601 129 HB2 LEU 15 2HB LEU 15 -0.667 -6.334 2.477 130 HB3 LEU 15 3HB LEU 15 -2.272 -5.821 2.027 131 HD11 LEU 15 1HD1 LEU 15 -3.006 -3.497 2.783 132 HD12 LEU 15 2HD1 LEU 15 -3.103 -4.100 4.457 133 HD13 LEU 15 3HD1 LEU 15 -2.131 -2.670 4.064 134 HD21 LEU 15 3HD2 LEU 15 -0.841 -5.087 5.460 135 HD22 LEU 15 1HD2 LEU 15 0.573 -5.104 4.366 136 HD23 LEU 15 2HD2 LEU 15 -0.125 -3.582 4.938 137 H GLU 16 HN GLU 16 -3.247 -6.934 6.180 138 HA GLU 16 HA GLU 16 -5.963 -7.367 5.349 139 HB2 GLU 16 2HB GLU 16 -4.625 -6.869 8.002 140 HB3 GLU 16 3HB GLU 16 -6.309 -7.372 7.810 141 HG2 GLU 16 2HG GLU 16 -5.681 -9.526 6.920 142 HG3 GLU 16 3HG GLU 16 -3.976 -9.034 6.791 143 H VAL 17 HN VAL 17 -6.616 -5.414 4.215 144 HA VAL 17 HA VAL 17 -7.252 -3.189 6.019 145 HB VAL 17 HB VAL 17 -5.372 -2.302 4.934 146 HG11 VAL 17 1HG1 VAL 17 -5.132 -3.931 3.076 147 HG12 VAL 17 2HG1 VAL 17 -6.473 -3.145 2.240 148 HG13 VAL 17 3HG1 VAL 17 -4.979 -2.232 2.543 149 HG21 VAL 17 3HG2 VAL 17 -7.695 -1.322 3.224 150 HG22 VAL 17 1HG2 VAL 17 -7.460 -0.903 4.923 151 HG23 VAL 17 2HG2 VAL 17 -6.245 -0.448 3.718 152 H GLU 18 HN GLU 18 -9.133 -2.304 5.688 153 HA GLU 18 HA GLU 18 -11.219 -3.757 4.232 154 HB2 GLU 18 2HB GLU 18 -12.703 -2.225 5.619 155 HB3 GLU 18 3HB GLU 18 -11.775 -3.419 6.500 156 HG2 GLU 18 2HG GLU 18 -10.540 -0.667 6.120 157 HG3 GLU 18 3HG GLU 18 -11.886 -0.850 7.246 158 HA PRO 19 HA PRO 19 -11.719 -0.484 1.351 159 HB2 PRO 19 2HB PRO 19 -14.246 -0.822 0.460 160 HB3 PRO 19 3HB PRO 19 -13.003 -2.089 0.294 161 HG2 PRO 19 2HG PRO 19 -15.064 -1.851 2.493 162 HG3 PRO 19 3HG PRO 19 -14.775 -3.243 1.405 163 HD2 PRO 19 2HD PRO 19 -13.600 -3.115 3.848 164 HD3 PRO 19 3HD PRO 19 -12.702 -3.732 2.432 165 H SER 20 HN SER 20 -11.803 0.483 4.010 166 HA SER 20 HA SER 20 -13.373 2.925 3.632 167 HG SER 20 HG SER 20 -13.567 0.861 6.945 168 HB2 SER 20 2HB SER 20 -14.087 2.702 6.113 169 HB3 SER 20 3HB SER 20 -14.999 1.858 4.860 170 H ASP 21 HN ASP 21 -10.445 1.419 4.499 171 HA ASP 21 HA ASP 21 -9.547 3.184 6.533 172 HB2 ASP 21 2HB ASP 21 -8.278 1.221 4.636 173 HB3 ASP 21 3HB ASP 21 -7.257 2.383 5.428 174 H THR 22 HN THR 22 -7.510 4.655 6.232 175 HA THR 22 HA THR 22 -7.907 6.398 3.870 176 HB THR 22 HB THR 22 -6.811 8.151 5.359 177 HG1 THR 22 HG1 THR 22 -7.307 7.779 7.628 178 HG21 THR 22 3HG2 THR 22 -9.546 7.126 6.189 179 HG22 THR 22 1HG2 THR 22 -8.944 8.801 6.299 180 HG23 THR 22 2HG2 THR 22 -9.211 8.069 4.723 181 H ILE 23 HN ILE 23 -6.029 7.015 2.719 182 HA ILE 23 HA ILE 23 -4.195 4.891 2.664 183 HB ILE 23 HB ILE 23 -3.216 7.347 1.327 184 HG12 ILE 23 2HG1 ILE 23 -5.593 7.739 1.033 185 HG13 ILE 23 3HG1 ILE 23 -4.809 7.339 -0.451 186 HG21 ILE 23 1HG2 ILE 23 -3.653 4.490 0.401 187 HG22 ILE 23 2HG2 ILE 23 -2.756 5.767 -0.450 188 HG23 ILE 23 3HG2 ILE 23 -2.148 5.152 1.068 189 HD11 ILE 23 3HD1 ILE 23 -5.734 5.005 -0.331 190 HD12 ILE 23 1HD1 ILE 23 -6.535 5.405 1.190 191 HD13 ILE 23 2HD1 ILE 23 -7.017 6.237 -0.279 192 H GLU 24 HN GLU 24 -4.020 7.888 4.408 193 HA GLU 24 HA GLU 24 -1.310 7.929 5.220 194 HB2 GLU 24 2HB GLU 24 -3.000 9.644 5.583 195 HB3 GLU 24 3HB GLU 24 -3.913 8.611 6.662 196 HG2 GLU 24 2HG GLU 24 -1.025 9.044 7.396 197 HG3 GLU 24 3HG GLU 24 -2.018 10.502 7.384 198 H ASN 25 HN ASN 25 -4.124 6.083 6.592 199 HA ASN 25 HA ASN 25 -2.371 4.771 8.522 200 HB2 ASN 25 2HB ASN 25 -4.188 4.011 9.535 201 HB3 ASN 25 3HB ASN 25 -4.906 5.355 8.683 202 HD21 ASN 25 1HD2 ASN 25 -4.311 1.807 8.238 203 HD22 ASN 25 2HD2 ASN 25 -5.962 1.478 7.678 204 H VAL 26 HN VAL 26 -3.563 4.096 5.308 205 HA VAL 26 HA VAL 26 -2.996 1.240 5.546 206 HB VAL 26 HB VAL 26 -3.373 2.984 3.084 207 HG11 VAL 26 1HG1 VAL 26 -3.863 0.846 1.956 208 HG12 VAL 26 2HG1 VAL 26 -2.222 0.890 2.574 209 HG13 VAL 26 3HG1 VAL 26 -3.449 -0.042 3.447 210 HG21 VAL 26 3HG2 VAL 26 -5.635 1.710 3.160 211 HG22 VAL 26 1HG2 VAL 26 -5.232 1.333 4.840 212 HG23 VAL 26 2HG2 VAL 26 -5.434 3.002 4.310 213 H LYS 27 HN LYS 27 -1.253 4.133 4.213 214 HA LYS 27 HA LYS 27 1.010 2.657 3.430 215 HB2 LYS 27 2HB LYS 27 2.073 4.553 2.973 216 HB3 LYS 27 3HB LYS 27 0.422 5.141 2.915 217 HG2 LYS 27 2HG LYS 27 0.750 6.042 5.227 218 HG3 LYS 27 3HG LYS 27 2.443 5.552 5.166 219 HD2 LYS 27 2HD LYS 27 1.095 7.442 3.197 220 HD3 LYS 27 3HD LYS 27 1.976 7.979 4.620 221 HE2 LYS 27 2HE LYS 27 4.060 7.248 3.820 222 HE3 LYS 27 3HE LYS 27 3.354 6.125 2.661 223 HZ1 LYS 27 3HZ LYS 27 3.223 9.072 2.405 224 HZ2 LYS 27 1HZ LYS 27 4.242 8.072 1.593 225 HZ3 LYS 27 2HZ LYS 27 2.611 7.971 1.342 226 H ALA 28 HN ALA 28 0.222 4.141 6.536 227 HA ALA 28 HA ALA 28 2.273 3.160 8.115 228 HB1 ALA 28 1HB ALA 28 0.391 4.659 8.783 229 HB2 ALA 28 2HB ALA 28 -0.640 3.225 8.911 230 HB3 ALA 28 3HB ALA 28 0.777 3.341 9.904 231 H LYS 29 HN LYS 29 -0.834 1.433 7.649 232 HA LYS 29 HA LYS 29 -0.333 -0.837 9.052 233 HB2 LYS 29 2HB LYS 29 -2.391 -0.116 7.644 234 HB3 LYS 29 3HB LYS 29 -1.667 -0.960 6.286 235 HG2 LYS 29 2HG LYS 29 -1.638 -3.041 7.670 236 HG3 LYS 29 3HG LYS 29 -2.354 -2.140 9.022 237 HD2 LYS 29 2HD LYS 29 -3.659 -2.775 6.346 238 HD3 LYS 29 3HD LYS 29 -4.009 -3.421 7.947 239 HE2 LYS 29 2HE LYS 29 -4.356 -0.729 8.402 240 HE3 LYS 29 3HE LYS 29 -4.855 -0.840 6.717 241 HZ1 LYS 29 3HZ LYS 29 -6.345 -2.763 7.647 242 HZ2 LYS 29 1HZ LYS 29 -6.108 -1.969 9.090 243 HZ3 LYS 29 2HZ LYS 29 -6.776 -1.191 7.819 244 H ILE 30 HN ILE 30 0.644 -0.237 5.708 245 HA ILE 30 HA ILE 30 1.768 -2.898 5.383 246 HB ILE 30 HB ILE 30 2.442 -0.562 3.588 247 HG12 ILE 30 2HG1 ILE 30 0.085 -2.119 2.669 248 HG13 ILE 30 3HG1 ILE 30 -0.314 -1.113 4.016 249 HG21 ILE 30 1HG2 ILE 30 2.441 -2.337 1.887 250 HG22 ILE 30 2HG2 ILE 30 3.420 -2.874 3.266 251 HG23 ILE 30 3HG2 ILE 30 1.805 -3.517 3.046 252 HD11 ILE 30 3HD1 ILE 30 -0.597 -0.147 1.760 253 HD12 ILE 30 1HD1 ILE 30 0.420 0.828 2.823 254 HD13 ILE 30 2HD1 ILE 30 1.159 -0.175 1.551 255 H GLN 31 HN GLN 31 3.205 0.417 5.691 256 HA GLN 31 HA GLN 31 5.819 -0.511 5.649 257 HB2 GLN 31 2HB GLN 31 6.446 1.674 6.035 258 HB3 GLN 31 3HB GLN 31 4.841 1.838 5.401 259 HG2 GLN 31 2HG GLN 31 4.252 1.884 8.054 260 HG3 GLN 31 3HG GLN 31 5.910 2.453 8.108 261 HE21 GLN 31 1HE2 GLN 31 4.400 4.279 9.105 262 HE22 GLN 31 2HE2 GLN 31 3.845 5.484 7.968 263 H ASP 32 HN ASP 32 3.553 -0.362 8.329 264 HA ASP 32 HA ASP 32 5.466 -0.929 10.374 265 HB2 ASP 32 2HB ASP 32 2.453 -1.216 10.342 266 HB3 ASP 32 3HB ASP 32 3.471 -1.500 11.728 267 H LYS 33 HN LYS 33 3.242 -3.146 8.472 268 HA LYS 33 HA LYS 33 4.417 -5.408 9.940 269 HB2 LYS 33 2HB LYS 33 3.106 -6.865 8.709 270 HB3 LYS 33 3HB LYS 33 2.072 -5.531 9.191 271 HG2 LYS 33 2HG LYS 33 1.833 -4.777 6.956 272 HG3 LYS 33 3HG LYS 33 3.294 -5.611 6.409 273 HD2 LYS 33 2HD LYS 33 1.424 -6.789 5.548 274 HD3 LYS 33 3HD LYS 33 2.192 -7.800 6.753 275 HE2 LYS 33 2HE LYS 33 -0.076 -6.119 7.737 276 HE3 LYS 33 3HE LYS 33 -0.485 -7.328 6.503 277 HZ1 LYS 33 3HZ LYS 33 0.431 -9.040 7.875 278 HZ2 LYS 33 1HZ LYS 33 0.852 -7.961 9.053 279 HZ3 LYS 33 2HZ LYS 33 -0.726 -8.205 8.695 280 H GLU 34 HN GLU 34 5.340 -3.615 7.158 281 HA GLU 34 HA GLU 34 7.213 -5.701 6.215 282 HB2 GLU 34 2HB GLU 34 6.265 -3.003 5.218 283 HB3 GLU 34 3HB GLU 34 7.787 -3.643 4.646 284 HG2 GLU 34 2HG GLU 34 5.233 -5.287 4.508 285 HG3 GLU 34 3HG GLU 34 5.772 -4.199 3.219 286 H GLY 35 HN GLY 35 7.249 -3.719 8.866 287 HA2 GLY 35 1HA GLY 35 8.931 -3.017 10.247 288 HA3 GLY 35 2HA GLY 35 9.968 -4.161 9.387 289 H ILE 36 HN ILE 36 8.399 -1.256 7.952 290 HA ILE 36 HA ILE 36 11.059 -0.098 7.395 291 HB ILE 36 HB ILE 36 10.385 -1.632 5.618 292 HG12 ILE 36 2HG1 ILE 36 10.267 1.279 4.746 293 HG13 ILE 36 3HG1 ILE 36 11.694 0.239 4.929 294 HG21 ILE 36 1HG2 ILE 36 7.906 -1.470 5.960 295 HG22 ILE 36 2HG2 ILE 36 7.940 0.088 5.108 296 HG23 ILE 36 3HG2 ILE 36 8.421 -1.440 4.309 297 HD11 ILE 36 3HD1 ILE 36 10.628 -1.276 3.162 298 HD12 ILE 36 1HD1 ILE 36 9.502 0.088 2.839 299 HD13 ILE 36 2HD1 ILE 36 11.248 0.280 2.622 300 HA PRO 37 HA PRO 37 8.672 3.583 8.283 301 HB2 PRO 37 2HB PRO 37 10.308 5.549 7.329 302 HB3 PRO 37 3HB PRO 37 10.710 4.561 8.785 303 HG2 PRO 37 2HG PRO 37 11.628 4.178 5.918 304 HG3 PRO 37 3HG PRO 37 12.633 4.244 7.412 305 HD2 PRO 37 2HD PRO 37 11.853 1.889 6.341 306 HD3 PRO 37 3HD PRO 37 11.887 2.119 8.113 307 HA PRO 38 HA PRO 38 6.485 5.084 4.642 308 HB2 PRO 38 2HB PRO 38 6.140 7.790 5.213 309 HB3 PRO 38 3HB PRO 38 5.158 6.489 5.917 310 HG2 PRO 38 2HG PRO 38 7.513 7.925 7.118 311 HG3 PRO 38 3HG PRO 38 5.986 7.404 7.901 312 HD2 PRO 38 2HD PRO 38 8.331 6.045 8.161 313 HD3 PRO 38 3HD PRO 38 6.768 5.207 8.155 314 H ASP 39 HN ASP 39 9.478 6.699 5.678 315 HA ASP 39 HA ASP 39 9.842 8.234 3.312 316 HB2 ASP 39 2HB ASP 39 12.029 8.695 4.023 317 HB3 ASP 39 3HB ASP 39 11.014 8.680 5.452 318 H GLN 40 HN GLN 40 9.924 4.839 3.631 319 HA GLN 40 HA GLN 40 11.136 4.735 0.888 320 HB2 GLN 40 2HB GLN 40 11.546 2.827 3.197 321 HB3 GLN 40 3HB GLN 40 11.786 2.326 1.525 322 HG2 GLN 40 2HG GLN 40 13.680 3.588 1.222 323 HG3 GLN 40 3HG GLN 40 13.194 4.855 2.347 324 HE21 GLN 40 1HE2 GLN 40 13.482 4.588 4.578 325 HE22 GLN 40 2HE2 GLN 40 14.501 3.358 5.292 326 H GLN 41 HN GLN 41 8.591 3.551 3.136 327 HA GLN 41 HA GLN 41 7.454 1.764 1.212 328 HB2 GLN 41 2HB GLN 41 7.086 1.840 3.779 329 HB3 GLN 41 3HB GLN 41 5.957 3.164 3.467 330 HG2 GLN 41 2HG GLN 41 4.481 1.385 3.356 331 HG3 GLN 41 3HG GLN 41 4.937 1.442 1.683 332 HE21 GLN 41 1HE2 GLN 41 7.679 0.126 2.011 333 HE22 GLN 41 2HE2 GLN 41 7.244 -1.510 2.441 334 H ARG 42 HN ARG 42 6.562 2.320 -0.673 335 HA ARG 42 HA ARG 42 5.470 5.063 -0.980 336 HE ARG 42 HE ARG 42 7.146 7.423 -4.972 337 HB2 ARG 42 2HB ARG 42 7.684 4.367 -1.980 338 HB3 ARG 42 3HB ARG 42 6.777 3.324 -3.081 339 HG2 ARG 42 2HG ARG 42 5.622 5.284 -4.035 340 HG3 ARG 42 3HG ARG 42 6.380 6.336 -2.802 341 HD2 ARG 42 2HD ARG 42 8.632 5.485 -3.580 342 HD3 ARG 42 3HD ARG 42 7.798 4.658 -4.899 343 HH11 ARG 42 2HH2 ARG 42 9.934 5.286 -5.272 344 HH12 ARG 42 1HH2 ARG 42 10.927 6.430 -6.142 345 HH21 ARG 42 2HH1 ARG 42 8.468 8.940 -6.310 346 HH22 ARG 42 1HH1 ARG 42 9.962 8.334 -6.964 347 H LEU 43 HN LEU 43 3.314 4.940 -0.966 348 HA LEU 43 HA LEU 43 1.923 2.482 -1.846 349 HG LEU 43 HG LEU 43 0.235 3.763 1.226 350 HB2 LEU 43 2HB LEU 43 1.219 5.011 -0.352 351 HB3 LEU 43 3HB LEU 43 -0.068 4.245 -1.221 352 HD11 LEU 43 1HD1 LEU 43 -1.186 2.145 0.969 353 HD12 LEU 43 2HD1 LEU 43 -1.085 2.455 -0.757 354 HD13 LEU 43 3HD1 LEU 43 -0.094 1.180 -0.008 355 HD21 LEU 43 3HD2 LEU 43 1.887 1.971 1.812 356 HD22 LEU 43 1HD2 LEU 43 2.348 1.821 0.162 357 HD23 LEU 43 2HD2 LEU 43 2.691 3.316 1.052 358 H ILE 44 HN ILE 44 1.018 2.243 -3.803 359 HA ILE 44 HA ILE 44 0.339 4.515 -5.504 360 HB ILE 44 HB ILE 44 1.946 2.085 -6.298 361 HG12 ILE 44 2HG1 ILE 44 3.101 4.274 -5.730 362 HG13 ILE 44 3HG1 ILE 44 3.448 3.632 -7.316 363 HG21 ILE 44 1HG2 ILE 44 0.173 3.724 -8.142 364 HG22 ILE 44 2HG2 ILE 44 1.516 2.724 -8.709 365 HG23 ILE 44 3HG2 ILE 44 0.159 1.974 -7.861 366 HD11 ILE 44 3HD1 ILE 44 3.129 6.068 -7.373 367 HD12 ILE 44 1HD1 ILE 44 1.914 5.258 -8.373 368 HD13 ILE 44 2HD1 ILE 44 1.484 5.868 -6.763 369 H PHE 45 HN PHE 45 -1.642 3.795 -6.779 370 HA PHE 45 HA PHE 45 -2.473 1.021 -6.213 371 HD1 PHE 45 HD2 PHE 45 -3.024 3.473 -3.568 372 HD2 PHE 45 HD1 PHE 45 -5.536 0.343 -4.915 373 HE1 PHE 45 HE2 PHE 45 -3.256 2.703 -1.226 374 HE2 PHE 45 HE1 PHE 45 -5.553 -0.618 -2.653 375 HZ PHE 45 HZ PHE 45 -4.479 0.581 -0.770 376 HB2 PHE 45 2HB PHE 45 -4.330 3.438 -5.997 377 HB3 PHE 45 3HB PHE 45 -4.894 1.845 -6.439 378 H ALA 46 HN ALA 46 -2.665 0.080 -8.252 379 HA ALA 46 HA ALA 46 -2.735 -0.091 -10.487 380 HB1 ALA 46 1HB ALA 46 -5.053 0.020 -9.667 381 HB2 ALA 46 2HB ALA 46 -5.082 1.773 -9.975 382 HB3 ALA 46 3HB ALA 46 -4.901 0.639 -11.323 383 H GLY 47 HN GLY 47 -0.777 1.996 -10.000 384 HA2 GLY 47 1HA GLY 47 0.451 3.419 -11.374 385 HA3 GLY 47 2HA GLY 47 -0.765 3.237 -12.633 386 H LYS 48 HN LYS 48 -1.575 4.339 -9.366 387 HA LYS 48 HA LYS 48 -1.825 7.191 -10.183 388 HB2 LYS 48 2HB LYS 48 -4.020 5.967 -10.070 389 HB3 LYS 48 3HB LYS 48 -3.623 5.436 -8.444 390 HG2 LYS 48 2HG LYS 48 -3.366 8.158 -8.219 391 HG3 LYS 48 3HG LYS 48 -4.678 8.027 -9.358 392 HD2 LYS 48 2HD LYS 48 -6.026 6.783 -7.801 393 HD3 LYS 48 3HD LYS 48 -4.662 6.447 -6.754 394 HE2 LYS 48 2HE LYS 48 -6.169 8.264 -5.878 395 HE3 LYS 48 3HE LYS 48 -4.479 8.760 -6.034 396 HZ1 LYS 48 3HZ LYS 48 -5.045 9.879 -8.071 397 HZ2 LYS 48 1HZ LYS 48 -6.609 9.316 -8.007 398 HZ3 LYS 48 2HZ LYS 48 -6.095 10.386 -6.888 399 H GLN 49 HN GLN 49 -0.835 8.583 -8.723 400 HA GLN 49 HA GLN 49 0.461 7.621 -6.267 401 HB2 GLN 49 2HB GLN 49 1.440 9.370 -7.807 402 HB3 GLN 49 3HB GLN 49 0.074 10.425 -7.391 403 HG2 GLN 49 2HG GLN 49 0.787 10.353 -4.991 404 HG3 GLN 49 3HG GLN 49 2.174 9.353 -5.450 405 HE21 GLN 49 1HE2 GLN 49 3.659 10.358 -7.181 406 HE22 GLN 49 2HE2 GLN 49 3.834 12.106 -7.138 407 H LEU 50 HN LEU 50 -0.246 8.273 -4.136 408 HA LEU 50 HA LEU 50 -3.203 8.639 -4.099 409 HG LEU 50 HG LEU 50 -3.030 5.440 -2.580 410 HB2 LEU 50 2HB LEU 50 -1.347 7.453 -1.998 411 HB3 LEU 50 3HB LEU 50 -3.049 7.584 -1.895 412 HD11 LEU 50 1HD1 LEU 50 -3.559 5.098 -4.874 413 HD12 LEU 50 2HD1 LEU 50 -4.077 6.744 -4.581 414 HD13 LEU 50 3HD1 LEU 50 -2.569 6.433 -5.415 415 HD21 LEU 50 3HD2 LEU 50 -1.178 4.391 -3.536 416 HD22 LEU 50 1HD2 LEU 50 -0.641 5.897 -4.352 417 HD23 LEU 50 2HD2 LEU 50 -0.478 5.693 -2.620 418 H GLU 51 HN GLU 51 -4.110 9.737 -2.245 419 HA GLU 51 HA GLU 51 -2.479 12.164 -1.849 420 HB2 GLU 51 2HB GLU 51 -4.917 11.876 -3.018 421 HB3 GLU 51 3HB GLU 51 -5.424 12.250 -1.364 422 HG2 GLU 51 2HG GLU 51 -3.293 14.059 -1.906 423 HG3 GLU 51 3HG GLU 51 -4.129 13.936 -3.442 424 H ASP 52 HN ASP 52 -2.933 9.643 0.035 425 HA ASP 52 HA ASP 52 -2.787 9.129 2.223 426 HB2 ASP 52 2HB ASP 52 -1.817 11.979 2.460 427 HB3 ASP 52 3HB ASP 52 -2.047 10.937 3.843 428 H GLY 53 HN GLY 53 -4.330 12.344 2.304 429 HA2 GLY 53 1HA GLY 53 -6.515 11.459 4.072 430 HA3 GLY 53 2HA GLY 53 -6.291 13.056 3.365 431 H ARG 54 HN ARG 54 -6.932 9.661 2.439 432 HA ARG 54 HA ARG 54 -9.185 10.500 0.792 433 HE ARG 54 HE ARG 54 -10.560 9.846 -3.731 434 HB2 ARG 54 2HB ARG 54 -6.586 9.811 -0.408 435 HB3 ARG 54 3HB ARG 54 -7.768 8.589 -0.844 436 HG2 ARG 54 2HG ARG 54 -8.150 11.594 -1.203 437 HG3 ARG 54 3HG ARG 54 -7.660 10.471 -2.464 438 HD2 ARG 54 2HD ARG 54 -9.860 9.155 -1.744 439 HD3 ARG 54 3HD ARG 54 -10.342 10.722 -1.097 440 HH11 ARG 54 2HH2 ARG 54 -9.223 12.774 -2.190 441 HH12 ARG 54 1HH2 ARG 54 -9.598 13.785 -3.537 442 HH21 ARG 54 2HH1 ARG 54 -11.223 11.201 -5.372 443 HH22 ARG 54 1HH1 ARG 54 -10.904 12.898 -5.311 444 H THR 55 HN THR 55 -10.759 8.882 0.740 445 HA THR 55 HA THR 55 -10.283 6.727 2.637 446 HB THR 55 HB THR 55 -12.829 7.239 1.093 447 HG1 THR 55 HG1 THR 55 -12.110 8.728 3.412 448 HG21 THR 55 3HG2 THR 55 -12.758 5.328 2.693 449 HG22 THR 55 1HG2 THR 55 -12.324 6.460 4.002 450 HG23 THR 55 2HG2 THR 55 -13.893 6.581 3.178 451 H LEU 56 HN LEU 56 -10.317 4.610 2.195 452 HA LEU 56 HA LEU 56 -9.658 3.469 -0.255 453 HG LEU 56 HG LEU 56 -8.688 1.385 2.608 454 HB2 LEU 56 2HB LEU 56 -10.574 2.622 2.439 455 HB3 LEU 56 3HB LEU 56 -10.946 1.468 1.218 456 HD11 LEU 56 1HD1 LEU 56 -9.308 -0.353 1.200 457 HD12 LEU 56 2HD1 LEU 56 -9.202 0.675 -0.235 458 HD13 LEU 56 3HD1 LEU 56 -7.725 0.123 0.635 459 HD21 LEU 56 3HD2 LEU 56 -7.714 2.974 0.192 460 HD22 LEU 56 1HD2 LEU 56 -7.763 3.549 1.866 461 HD23 LEU 56 2HD2 LEU 56 -6.732 2.182 1.415 462 H SER 57 HN SER 57 -12.961 4.175 0.896 463 HA SER 57 HA SER 57 -14.225 2.426 -0.988 464 HG SER 57 HG SER 57 -14.891 2.552 1.478 465 HB2 SER 57 2HB SER 57 -15.417 4.991 0.081 466 HB3 SER 57 3HB SER 57 -16.231 3.478 -0.330 467 H ASP 58 HN ASP 58 -12.559 5.471 -1.421 468 HA ASP 58 HA ASP 58 -13.936 6.081 -3.992 469 HB2 ASP 58 2HB ASP 58 -13.291 7.947 -2.474 470 HB3 ASP 58 3HB ASP 58 -11.603 7.431 -2.554 471 H TYR 59 HN TYR 59 -10.842 4.926 -2.641 472 HA TYR 59 HA TYR 59 -9.543 4.745 -5.231 473 HD1 TYR 59 HD1 TYR 59 -9.489 6.781 -4.154 474 HD2 TYR 59 HD2 TYR 59 -6.061 4.654 -2.580 475 HE1 TYR 59 HE1 TYR 59 -8.273 8.816 -4.180 476 HE2 TYR 59 HE2 TYR 59 -4.875 6.782 -2.489 477 HH TYR 59 HH TYR 59 -6.180 9.780 -3.936 478 HB2 TYR 59 2HB TYR 59 -8.893 3.922 -2.385 479 HB3 TYR 59 3HB TYR 59 -7.856 3.447 -3.727 480 H ASN 60 HN ASN 60 -11.368 2.649 -3.291 481 HA ASN 60 HA ASN 60 -12.306 0.716 -3.540 482 HB2 ASN 60 2HB ASN 60 -13.017 2.651 -5.453 483 HB3 ASN 60 3HB ASN 60 -13.098 1.122 -6.298 484 HD21 ASN 60 1HD2 ASN 60 -15.337 2.574 -5.949 485 HD22 ASN 60 2HD2 ASN 60 -16.390 1.817 -4.769 486 H ILE 61 HN ILE 61 -11.236 -1.046 -3.290 487 HA ILE 61 HA ILE 61 -10.387 -2.539 -5.663 488 HB ILE 61 HB ILE 61 -8.219 -2.896 -4.632 489 HG12 ILE 61 2HG1 ILE 61 -8.880 -1.971 -2.246 490 HG13 ILE 61 3HG1 ILE 61 -7.282 -1.758 -2.865 491 HG21 ILE 61 1HG2 ILE 61 -8.399 -1.386 -6.454 492 HG22 ILE 61 2HG2 ILE 61 -8.607 -0.002 -5.386 493 HG23 ILE 61 3HG2 ILE 61 -7.077 -0.922 -5.380 494 HD11 ILE 61 3HD1 ILE 61 -7.844 0.249 -1.817 495 HD12 ILE 61 1HD1 ILE 61 -7.882 0.649 -3.483 496 HD13 ILE 61 2HD1 ILE 61 -9.427 0.393 -2.639 497 H GLN 62 HN GLN 62 -10.242 -4.742 -5.317 498 HA GLN 62 HA GLN 62 -10.163 -5.921 -2.625 499 HB2 GLN 62 2HB GLN 62 -12.159 -6.666 -4.824 500 HB3 GLN 62 3HB GLN 62 -11.906 -7.578 -3.346 501 HG2 GLN 62 2HG GLN 62 -12.912 -4.703 -3.342 502 HG3 GLN 62 3HG GLN 62 -13.964 -6.033 -3.649 503 HE21 GLN 62 1HE2 GLN 62 -13.995 -4.092 -1.390 504 HE22 GLN 62 2HE2 GLN 62 -14.050 -5.133 0.019 505 H LYS 63 HN LYS 63 -8.462 -7.440 -2.912 506 HA LYS 63 HA LYS 63 -6.927 -8.778 -3.837 507 HB2 LYS 63 2HB LYS 63 -9.243 -9.840 -4.298 508 HB3 LYS 63 3HB LYS 63 -8.902 -9.537 -5.988 509 HG2 LYS 63 2HG LYS 63 -6.931 -10.982 -5.891 510 HG3 LYS 63 3HG LYS 63 -7.020 -11.051 -4.125 511 HD2 LYS 63 2HD LYS 63 -7.926 -13.110 -4.902 512 HD3 LYS 63 3HD LYS 63 -9.270 -12.148 -4.305 513 HE2 LYS 63 2HE LYS 63 -9.766 -11.434 -6.669 514 HE3 LYS 63 3HE LYS 63 -8.457 -12.487 -7.216 515 HZ1 LYS 63 3HZ LYS 63 -10.974 -13.315 -5.903 516 HZ2 LYS 63 1HZ LYS 63 -10.478 -13.634 -7.433 517 HZ3 LYS 63 2HZ LYS 63 -9.719 -14.350 -6.158 518 H GLU 64 HN GLU 64 -8.374 -7.754 -6.930 519 HA GLU 64 HA GLU 64 -6.305 -7.001 -8.544 520 HB2 GLU 64 2HB GLU 64 -9.117 -5.936 -8.033 521 HB3 GLU 64 3HB GLU 64 -8.055 -5.067 -9.111 522 HG2 GLU 64 2HG GLU 64 -9.154 -6.380 -10.591 523 HG3 GLU 64 3HG GLU 64 -7.657 -7.279 -10.354 524 H SER 65 HN SER 65 -7.176 -5.478 -5.600 525 HA SER 65 HA SER 65 -6.149 -2.901 -5.597 526 HG SER 65 HG SER 65 -5.471 -3.404 -2.149 527 HB2 SER 65 2HB SER 65 -7.082 -4.137 -3.590 528 HB3 SER 65 3HB SER 65 -5.686 -5.155 -3.621 529 H THR 66 HN THR 66 -4.219 -5.787 -4.858 530 HA THR 66 HA THR 66 -1.931 -5.727 -4.363 531 HB THR 66 HB THR 66 -2.522 -7.344 -5.918 532 HG1 THR 66 HG1 THR 66 -0.180 -6.424 -7.070 533 HG21 THR 66 3HG2 THR 66 -2.223 -7.128 -8.357 534 HG22 THR 66 1HG2 THR 66 -3.569 -6.204 -7.715 535 HG23 THR 66 2HG2 THR 66 -2.073 -5.363 -8.163 536 H LEU 67 HN LEU 67 -2.018 -3.467 -3.701 537 HA LEU 67 HA LEU 67 -1.673 -1.374 -5.431 538 HG LEU 67 HG LEU 67 0.345 -1.819 -2.418 539 HB2 LEU 67 2HB LEU 67 -1.875 -0.098 -3.545 540 HB3 LEU 67 3HB LEU 67 -2.355 -1.612 -2.899 541 HD11 LEU 67 1HD1 LEU 67 -0.175 1.150 -2.249 542 HD12 LEU 67 2HD1 LEU 67 1.207 0.283 -1.505 543 HD13 LEU 67 3HD1 LEU 67 1.039 0.390 -3.241 544 HD21 LEU 67 3HD2 LEU 67 -1.649 -0.394 -0.718 545 HD22 LEU 67 1HD2 LEU 67 -1.467 -2.147 -0.906 546 HD23 LEU 67 2HD2 LEU 67 -0.151 -1.225 -0.204 547 H HIS 68 HN HIS 68 0.726 -3.413 -4.289 548 HA HIS 68 HA HIS 68 2.938 -3.678 -4.320 549 HD1 HIS 68 HD1 HIS 68 0.334 -2.732 -7.617 550 HD2 HIS 68 HD2 HIS 68 3.858 -0.510 -7.120 551 HE1 HIS 68 HE1 HIS 68 -0.069 -0.508 -8.752 552 HB2 HIS 68 2HB HIS 68 3.975 -3.219 -6.529 553 HB3 HIS 68 3HB HIS 68 2.441 -4.081 -6.606 554 H LEU 69 HN LEU 69 5.168 -2.881 -4.239 555 HA LEU 69 HA LEU 69 5.249 -0.016 -3.360 556 HG LEU 69 HG LEU 69 4.130 -2.344 -1.599 557 HB2 LEU 69 2HB LEU 69 6.549 -2.421 -2.080 558 HB3 LEU 69 3HB LEU 69 6.685 -0.759 -1.540 559 HD11 LEU 69 1HD1 LEU 69 4.585 -2.177 1.016 560 HD12 LEU 69 2HD1 LEU 69 5.369 -3.410 0.060 561 HD13 LEU 69 3HD1 LEU 69 6.270 -1.973 0.469 562 HD21 LEU 69 3HD2 LEU 69 4.643 0.308 -0.297 563 HD22 LEU 69 1HD2 LEU 69 3.602 -0.001 -1.687 564 HD23 LEU 69 2HD2 LEU 69 3.164 -0.679 -0.111 565 H VAL 70 HN VAL 70 6.871 1.111 -4.206 566 HA VAL 70 HA VAL 70 9.139 -0.328 -5.473 567 HB VAL 70 HB VAL 70 9.133 1.283 -7.280 568 HG11 VAL 70 1HG1 VAL 70 6.337 0.095 -7.041 569 HG12 VAL 70 2HG1 VAL 70 7.259 0.491 -8.516 570 HG13 VAL 70 3HG1 VAL 70 7.792 -0.825 -7.479 571 HG21 VAL 70 3HG2 VAL 70 6.677 2.517 -5.970 572 HG22 VAL 70 1HG2 VAL 70 8.217 3.285 -6.425 573 HG23 VAL 70 2HG2 VAL 70 7.102 2.751 -7.675 574 H LEU 71 HN LEU 71 11.159 0.468 -5.057 575 HA LEU 71 HA LEU 71 11.497 3.130 -3.965 576 HG LEU 71 HG LEU 71 12.420 -0.381 -2.973 577 HB2 LEU 71 2HB LEU 71 12.899 2.500 -2.114 578 HB3 LEU 71 3HB LEU 71 11.312 1.793 -1.944 579 HD11 LEU 71 1HD1 LEU 71 14.639 0.488 -3.563 580 HD12 LEU 71 2HD1 LEU 71 14.863 1.133 -1.916 581 HD13 LEU 71 3HD1 LEU 71 14.811 -0.605 -2.205 582 HD21 LEU 71 3HD2 LEU 71 11.510 -0.193 -0.701 583 HD22 LEU 71 1HD2 LEU 71 13.015 -1.111 -0.703 584 HD23 LEU 71 2HD2 LEU 71 13.018 0.575 -0.140 585 H ARG 72 HN ARG 72 14.021 3.469 -3.955 586 HA ARG 72 HA ARG 72 16.012 2.639 -5.486 587 HE ARG 72 HE ARG 72 14.880 -0.093 -10.200 588 HB2 ARG 72 2HB ARG 72 13.702 3.369 -7.303 589 HB3 ARG 72 3HB ARG 72 15.309 3.884 -7.770 590 HG2 ARG 72 2HG ARG 72 16.103 1.817 -8.226 591 HG3 ARG 72 3HG ARG 72 15.094 0.983 -7.074 592 HD2 ARG 72 2HD ARG 72 13.427 0.627 -8.552 593 HD3 ARG 72 3HD ARG 72 13.472 2.263 -9.192 594 HH11 ARG 72 2HH2 ARG 72 14.763 3.464 -10.325 595 HH12 ARG 72 1HH2 ARG 72 16.009 3.581 -11.508 596 HH21 ARG 72 2HH1 ARG 72 16.181 0.035 -11.979 597 HH22 ARG 72 1HH1 ARG 72 16.633 1.539 -12.721 598 H LEU 73 HN LEU 73 17.394 4.372 -5.880 599 HA LEU 73 HA LEU 73 18.406 6.338 -5.667 600 HG LEU 73 HG LEU 73 18.630 7.819 -7.514 601 HB2 LEU 73 2HB LEU 73 15.734 7.244 -6.698 602 HB3 LEU 73 3HB LEU 73 16.797 8.448 -5.995 603 HD11 LEU 73 1HD1 LEU 73 18.202 6.459 -9.481 604 HD12 LEU 73 2HD1 LEU 73 18.014 5.471 -8.036 605 HD13 LEU 73 3HD1 LEU 73 16.558 6.046 -8.893 606 HD21 LEU 73 3HD2 LEU 73 17.123 9.649 -8.046 607 HD22 LEU 73 1HD2 LEU 73 17.535 8.796 -9.535 608 HD23 LEU 73 2HD2 LEU 73 15.947 8.536 -8.791 609 H ARG 74 HN ARG 74 15.315 6.534 -3.886 610 HA ARG 74 HA ARG 74 16.568 8.127 -1.762 611 HE ARG 74 HE ARG 74 10.411 8.092 -2.435 612 HB2 ARG 74 2HB ARG 74 14.394 8.004 -0.706 613 HB3 ARG 74 3HB ARG 74 14.333 8.740 -2.308 614 HG2 ARG 74 2HG ARG 74 13.139 6.910 -3.246 615 HG3 ARG 74 3HG ARG 74 13.595 5.826 -1.935 616 HD2 ARG 74 2HD ARG 74 11.359 6.258 -1.512 617 HD3 ARG 74 3HD ARG 74 12.231 7.252 -0.356 618 HH11 ARG 74 2HH2 ARG 74 12.916 9.305 -0.184 619 HH12 ARG 74 1HH2 ARG 74 12.804 10.919 -0.771 620 HH21 ARG 74 2HH1 ARG 74 9.935 10.354 -2.793 621 HH22 ARG 74 1HH1 ARG 74 10.925 11.517 -1.976 622 H GLY 75 HN GLY 75 17.142 7.274 0.236 623 HA2 GLY 75 1HA GLY 75 17.041 5.678 2.001 624 HA3 GLY 75 2HA GLY 75 16.540 4.421 0.859 625 H GLY 76 HN GLY 76 19.227 6.433 1.959 626 HA2 GLY 76 1HA GLY 76 21.503 5.671 2.141 627 HA3 GLY 76 2HA GLY 76 21.241 4.534 0.800 Start of MODEL 2 1 HA MET 1 HA MET 1 -10.997 -7.845 1.141 2 H1 MET 1 HN MET 1 -10.938 -9.001 3.263 3 HB2 MET 1 2HB MET 1 -11.860 -5.733 2.073 4 HB3 MET 1 3HB MET 1 -10.275 -5.396 2.753 5 HG2 MET 1 2HG MET 1 -9.378 -5.590 0.326 6 HG3 MET 1 3HG MET 1 -11.069 -5.603 -0.168 7 HE1 MET 1 3HE MET 1 -8.069 -2.863 0.843 8 HE2 MET 1 1HE MET 1 -9.019 -2.307 2.235 9 HE3 MET 1 2HE MET 1 -8.572 -4.013 2.102 10 H GLN 2 HN GLN 2 -8.586 -7.085 3.736 11 HA GLN 2 HA GLN 2 -6.350 -7.169 3.595 12 HB2 GLN 2 2HB GLN 2 -5.610 -9.351 4.254 13 HB3 GLN 2 3HB GLN 2 -7.132 -8.921 4.995 14 HG2 GLN 2 2HG GLN 2 -6.728 -10.984 2.806 15 HG3 GLN 2 3HG GLN 2 -7.080 -11.270 4.494 16 HE21 GLN 2 1HE2 GLN 2 -8.560 -11.383 1.571 17 HE22 GLN 2 2HE2 GLN 2 -10.199 -10.910 2.023 18 H ILE 3 HN ILE 3 -5.552 -6.211 1.750 19 HA ILE 3 HA ILE 3 -5.602 -7.713 -0.722 20 HB ILE 3 HB ILE 3 -5.023 -5.813 -1.823 21 HG12 ILE 3 2HG1 ILE 3 -3.384 -4.463 -1.278 22 HG13 ILE 3 3HG1 ILE 3 -4.552 -3.572 -0.343 23 HG21 ILE 3 1HG2 ILE 3 -6.632 -4.763 0.515 24 HG22 ILE 3 2HG2 ILE 3 -6.666 -4.205 -1.163 25 HG23 ILE 3 3HG2 ILE 3 -7.258 -5.823 -0.767 26 HD11 ILE 3 3HD1 ILE 3 -2.724 -3.730 1.063 27 HD12 ILE 3 1HD1 ILE 3 -3.737 -5.063 1.647 28 HD13 ILE 3 2HD1 ILE 3 -2.346 -5.387 0.597 29 H PHE 4 HN PHE 4 -3.498 -7.370 -2.209 30 HA PHE 4 HA PHE 4 -1.222 -8.603 -0.778 31 HD1 PHE 4 HD2 PHE 4 -2.256 -10.469 -0.501 32 HD2 PHE 4 HD1 PHE 4 -2.708 -10.392 -4.810 33 HE1 PHE 4 HE2 PHE 4 -3.709 -12.437 -0.384 34 HE2 PHE 4 HE1 PHE 4 -4.161 -12.362 -4.673 35 HZ PHE 4 HZ PHE 4 -4.671 -13.420 -2.470 36 HB2 PHE 4 2HB PHE 4 -1.792 -8.499 -3.711 37 HB3 PHE 4 3HB PHE 4 -0.459 -9.330 -2.921 38 H VAL 5 HN VAL 5 0.968 -7.828 -1.713 39 HA VAL 5 HA VAL 5 1.048 -5.000 -2.447 40 HB VAL 5 HB VAL 5 1.634 -6.178 0.233 41 HG11 VAL 5 1HG1 VAL 5 3.593 -4.159 -0.926 42 HG12 VAL 5 2HG1 VAL 5 3.456 -4.610 0.783 43 HG13 VAL 5 3HG1 VAL 5 3.966 -5.809 -0.380 44 HG21 VAL 5 3HG2 VAL 5 -0.050 -4.387 -0.178 45 HG22 VAL 5 1HG2 VAL 5 1.150 -3.949 1.014 46 HG23 VAL 5 2HG2 VAL 5 1.269 -3.284 -0.636 47 H LYS 6 HN LYS 6 2.757 -4.668 -3.776 48 HA LYS 6 HA LYS 6 4.800 -6.852 -4.029 49 HB2 LYS 6 2HB LYS 6 3.802 -5.001 -6.214 50 HB3 LYS 6 3HB LYS 6 5.080 -6.220 -6.347 51 HG2 LYS 6 2HG LYS 6 2.793 -7.582 -5.260 52 HG3 LYS 6 3HG LYS 6 2.175 -6.515 -6.524 53 HD2 LYS 6 2HD LYS 6 4.397 -8.587 -6.858 54 HD3 LYS 6 3HD LYS 6 2.700 -8.772 -7.342 55 HE2 LYS 6 2HE LYS 6 2.984 -6.685 -8.776 56 HE3 LYS 6 3HE LYS 6 4.721 -6.776 -8.469 57 HZ1 LYS 6 3HZ LYS 6 3.956 -7.822 -10.535 58 HZ2 LYS 6 1HZ LYS 6 4.755 -8.916 -9.580 59 HZ3 LYS 6 2HZ LYS 6 3.115 -8.936 -9.672 60 H THR 7 HN THR 7 6.464 -6.176 -2.829 61 HA THR 7 HA THR 7 7.890 -3.761 -3.793 62 HB THR 7 HB THR 7 6.493 -3.086 -1.890 63 HG1 THR 7 HG1 THR 7 9.147 -3.325 -1.017 64 HG21 THR 7 3HG2 THR 7 6.852 -3.957 0.395 65 HG22 THR 7 1HG2 THR 7 6.227 -5.201 -0.666 66 HG23 THR 7 2HG2 THR 7 7.942 -5.176 -0.234 67 H LEU 8 HN LEU 8 8.218 -6.683 -4.168 68 HA LEU 8 HA LEU 8 11.054 -6.727 -3.852 69 HG LEU 8 HG LEU 8 12.500 -7.868 -2.358 70 HB2 LEU 8 2HB LEU 8 10.163 -7.505 -1.541 71 HB3 LEU 8 3HB LEU 8 9.648 -8.984 -2.340 72 HD11 LEU 8 1HD1 LEU 8 11.294 -10.006 -0.566 73 HD12 LEU 8 2HD1 LEU 8 12.998 -9.508 -0.595 74 HD13 LEU 8 3HD1 LEU 8 11.766 -8.373 -0.062 75 HD21 LEU 8 3HD2 LEU 8 12.226 -9.474 -4.173 76 HD22 LEU 8 1HD2 LEU 8 13.143 -10.244 -2.880 77 HD23 LEU 8 2HD2 LEU 8 11.428 -10.619 -3.085 78 H THR 9 HN THR 9 9.950 -6.481 -6.052 79 HA THR 9 HA THR 9 9.215 -7.232 -8.023 80 HB THR 9 HB THR 9 10.807 -9.715 -7.261 81 HG1 THR 9 HG1 THR 9 12.520 -8.468 -8.226 82 HG21 THR 9 3HG2 THR 9 9.720 -10.142 -9.362 83 HG22 THR 9 1HG2 THR 9 10.033 -8.499 -9.942 84 HG23 THR 9 2HG2 THR 9 11.372 -9.671 -9.742 85 H GLY 10 HN GLY 10 8.900 -10.639 -7.489 86 HA2 GLY 10 1HA GLY 10 5.970 -10.331 -7.482 87 HA3 GLY 10 2HA GLY 10 6.893 -11.767 -7.908 88 H LYS 11 HN LYS 11 5.554 -9.881 -5.234 89 HA LYS 11 HA LYS 11 5.367 -12.320 -3.711 90 HB2 LYS 11 2HB LYS 11 6.917 -9.936 -2.602 91 HB3 LYS 11 3HB LYS 11 6.019 -11.025 -1.543 92 HG2 LYS 11 2HG LYS 11 7.358 -12.949 -2.684 93 HG3 LYS 11 3HG LYS 11 8.410 -11.658 -3.291 94 HD2 LYS 11 2HD LYS 11 9.403 -12.543 -1.305 95 HD3 LYS 11 3HD LYS 11 8.792 -10.932 -0.903 96 HE2 LYS 11 2HE LYS 11 6.814 -11.914 0.166 97 HE3 LYS 11 3HE LYS 11 7.287 -13.540 -0.336 98 HZ1 LYS 11 3HZ LYS 11 8.810 -13.633 1.342 99 HZ2 LYS 11 1HZ LYS 11 9.196 -12.032 1.253 100 HZ3 LYS 11 2HZ LYS 11 7.836 -12.480 2.015 101 H THR 12 HN THR 12 3.958 -11.706 -1.650 102 HA THR 12 HA THR 12 1.784 -9.914 -2.585 103 HB THR 12 HB THR 12 1.974 -12.781 -2.121 104 HG1 THR 12 HG1 THR 12 0.322 -12.763 -3.407 105 HG21 THR 12 3HG2 THR 12 -0.217 -11.431 -0.514 106 HG22 THR 12 1HG2 THR 12 -0.136 -13.153 -0.946 107 HG23 THR 12 2HG2 THR 12 1.085 -12.451 0.114 108 H ILE 13 HN ILE 13 3.654 -11.061 0.174 109 HA ILE 13 HA ILE 13 4.058 -10.289 2.117 110 HB ILE 13 HB ILE 13 3.387 -7.896 0.685 111 HG12 ILE 13 2HG1 ILE 13 5.615 -8.720 1.305 112 HG13 ILE 13 3HG1 ILE 13 5.334 -7.027 1.753 113 HG21 ILE 13 1HG2 ILE 13 3.151 -6.303 2.565 114 HG22 ILE 13 2HG2 ILE 13 1.708 -7.283 2.306 115 HG23 ILE 13 3HG2 ILE 13 2.782 -7.660 3.638 116 HD11 ILE 13 3HD1 ILE 13 4.986 -7.668 4.115 117 HD12 ILE 13 1HD1 ILE 13 5.173 -9.384 3.713 118 HD13 ILE 13 2HD1 ILE 13 6.526 -8.268 3.533 119 H THR 14 HN THR 14 0.653 -9.667 1.514 120 HA THR 14 HA THR 14 -1.212 -10.200 2.610 121 HB THR 14 HB THR 14 0.279 -11.536 4.883 122 HG1 THR 14 HG1 THR 14 -0.762 -13.030 2.746 123 HG21 THR 14 3HG2 THR 14 -2.534 -11.762 3.695 124 HG22 THR 14 1HG2 THR 14 -1.868 -12.906 4.863 125 HG23 THR 14 2HG2 THR 14 -2.081 -11.204 5.324 126 H LEU 15 HN LEU 15 -2.427 -8.738 3.699 127 HA LEU 15 HA LEU 15 -1.240 -6.902 5.648 128 HG LEU 15 HG LEU 15 -0.637 -4.180 3.021 129 HB2 LEU 15 2HB LEU 15 -0.388 -6.481 3.294 130 HB3 LEU 15 3HB LEU 15 -2.023 -6.145 2.791 131 HD11 LEU 15 1HD1 LEU 15 -2.636 -4.220 5.305 132 HD12 LEU 15 2HD1 LEU 15 -1.901 -2.780 4.551 133 HD13 LEU 15 3HD1 LEU 15 -2.948 -3.814 3.597 134 HD21 LEU 15 3HD2 LEU 15 0.936 -5.196 4.671 135 HD22 LEU 15 1HD2 LEU 15 0.406 -3.557 5.112 136 HD23 LEU 15 2HD2 LEU 15 -0.306 -4.942 5.924 137 H GLU 16 HN GLU 16 -3.022 -6.787 7.041 138 HA GLU 16 HA GLU 16 -5.574 -7.604 5.888 139 HB2 GLU 16 2HB GLU 16 -4.592 -8.772 7.785 140 HB3 GLU 16 3HB GLU 16 -4.813 -7.325 8.803 141 HG2 GLU 16 2HG GLU 16 -7.247 -7.478 8.470 142 HG3 GLU 16 3HG GLU 16 -7.049 -8.717 7.235 143 H VAL 17 HN VAL 17 -5.595 -5.520 4.789 144 HA VAL 17 HA VAL 17 -6.658 -3.330 6.462 145 HB VAL 17 HB VAL 17 -4.776 -2.914 5.038 146 HG11 VAL 17 1HG1 VAL 17 -6.457 -3.536 2.637 147 HG12 VAL 17 2HG1 VAL 17 -4.839 -2.827 2.629 148 HG13 VAL 17 3HG1 VAL 17 -5.094 -4.490 3.224 149 HG21 VAL 17 3HG2 VAL 17 -7.142 -1.476 3.833 150 HG22 VAL 17 1HG2 VAL 17 -6.593 -1.223 5.509 151 HG23 VAL 17 2HG2 VAL 17 -5.505 -0.885 4.171 152 H GLU 18 HN GLU 18 -8.495 -2.116 5.672 153 HA GLU 18 HA GLU 18 -10.671 -3.889 4.767 154 HB2 GLU 18 2HB GLU 18 -12.059 -2.585 6.487 155 HB3 GLU 18 3HB GLU 18 -10.966 -3.810 7.100 156 HG2 GLU 18 2HG GLU 18 -10.250 -0.834 6.999 157 HG3 GLU 18 3HG GLU 18 -11.089 -1.592 8.347 158 HA PRO 19 HA PRO 19 -11.488 -0.857 1.926 159 HB2 PRO 19 2HB PRO 19 -14.097 -1.261 1.331 160 HB3 PRO 19 3HB PRO 19 -12.889 -2.519 1.156 161 HG2 PRO 19 2HG PRO 19 -14.745 -2.042 3.500 162 HG3 PRO 19 3HG PRO 19 -14.555 -3.554 2.532 163 HD2 PRO 19 2HD PRO 19 -13.156 -3.234 4.798 164 HD3 PRO 19 3HD PRO 19 -12.358 -3.911 3.347 165 H SER 20 HN SER 20 -11.395 0.587 4.325 166 HA SER 20 HA SER 20 -13.121 2.842 3.571 167 HG SER 20 HG SER 20 -14.437 3.413 6.789 168 HB2 SER 20 2HB SER 20 -14.287 1.443 5.364 169 HB3 SER 20 3HB SER 20 -12.976 1.932 6.450 170 H ASP 21 HN ASP 21 -10.062 1.553 4.863 171 HA ASP 21 HA ASP 21 -9.483 3.862 6.377 172 HB2 ASP 21 2HB ASP 21 -7.549 2.860 7.039 173 HB3 ASP 21 3HB ASP 21 -8.701 1.566 6.892 174 H THR 22 HN THR 22 -7.381 5.179 6.092 175 HA THR 22 HA THR 22 -7.828 6.588 3.573 176 HB THR 22 HB THR 22 -6.460 8.308 4.480 177 HG1 THR 22 HG1 THR 22 -5.478 8.129 6.465 178 HG21 THR 22 3HG2 THR 22 -8.800 8.138 5.361 179 HG22 THR 22 1HG2 THR 22 -8.188 7.244 6.769 180 HG23 THR 22 2HG2 THR 22 -7.694 8.927 6.486 181 H ILE 23 HN ILE 23 -5.819 7.218 2.134 182 HA ILE 23 HA ILE 23 -4.261 4.808 1.666 183 HB ILE 23 HB ILE 23 -4.502 7.471 0.397 184 HG12 ILE 23 2HG1 ILE 23 -4.643 6.166 -1.590 185 HG13 ILE 23 3HG1 ILE 23 -4.085 4.700 -0.722 186 HG21 ILE 23 1HG2 ILE 23 -1.912 5.923 -0.048 187 HG22 ILE 23 2HG2 ILE 23 -2.413 7.469 -0.802 188 HG23 ILE 23 3HG2 ILE 23 -2.005 7.420 0.878 189 HD11 ILE 23 3HD1 ILE 23 -6.162 4.662 0.525 190 HD12 ILE 23 1HD1 ILE 23 -6.589 6.265 -0.174 191 HD13 ILE 23 2HD1 ILE 23 -6.511 4.823 -1.191 192 H GLU 24 HN GLU 24 -3.747 7.732 3.564 193 HA GLU 24 HA GLU 24 -1.020 7.254 4.135 194 HB2 GLU 24 2HB GLU 24 -2.407 9.331 4.584 195 HB3 GLU 24 3HB GLU 24 -2.974 8.537 6.065 196 HG2 GLU 24 2HG GLU 24 -0.719 8.432 6.935 197 HG3 GLU 24 3HG GLU 24 -0.011 8.787 5.360 198 H ASN 25 HN ASN 25 -4.044 5.954 5.602 199 HA ASN 25 HA ASN 25 -2.735 4.444 7.668 200 HB2 ASN 25 2HB ASN 25 -5.210 5.118 7.465 201 HB3 ASN 25 3HB ASN 25 -5.391 3.708 6.425 202 HD21 ASN 25 1HD2 ASN 25 -6.397 4.406 9.241 203 HD22 ASN 25 2HD2 ASN 25 -5.979 2.978 10.154 204 H VAL 26 HN VAL 26 -3.940 3.525 4.358 205 HA VAL 26 HA VAL 26 -3.207 0.804 4.636 206 HB VAL 26 HB VAL 26 -3.032 2.327 2.017 207 HG11 VAL 26 1HG1 VAL 26 -2.072 0.040 2.001 208 HG12 VAL 26 2HG1 VAL 26 -3.590 -0.609 2.639 209 HG13 VAL 26 3HG1 VAL 26 -3.533 0.121 1.019 210 HG21 VAL 26 3HG2 VAL 26 -5.321 2.692 2.877 211 HG22 VAL 26 1HG2 VAL 26 -5.307 1.623 1.481 212 HG23 VAL 26 2HG2 VAL 26 -5.503 0.962 3.109 213 H LYS 27 HN LYS 27 -1.255 3.616 3.335 214 HA LYS 27 HA LYS 27 1.070 1.990 2.918 215 HB2 LYS 27 2HB LYS 27 2.315 3.904 2.478 216 HB3 LYS 27 3HB LYS 27 0.715 4.243 1.835 217 HG2 LYS 27 2HG LYS 27 0.153 5.669 3.586 218 HG3 LYS 27 3HG LYS 27 1.526 5.205 4.561 219 HD2 LYS 27 2HD LYS 27 1.945 7.338 3.765 220 HD3 LYS 27 3HD LYS 27 3.075 6.246 2.952 221 HE2 LYS 27 2HE LYS 27 2.065 6.495 0.886 222 HE3 LYS 27 3HE LYS 27 0.466 6.858 1.576 223 HZ1 LYS 27 3HZ LYS 27 1.009 8.995 1.960 224 HZ2 LYS 27 1HZ LYS 27 2.632 8.794 1.977 225 HZ3 LYS 27 2HZ LYS 27 1.758 8.744 0.540 226 H ALA 28 HN ALA 28 -0.022 3.828 5.791 227 HA ALA 28 HA ALA 28 2.213 3.439 7.396 228 HB1 ALA 28 1HB ALA 28 0.465 3.577 9.227 229 HB2 ALA 28 2HB ALA 28 0.419 4.872 8.023 230 HB3 ALA 28 3HB ALA 28 -0.759 3.545 7.989 231 H LYS 29 HN LYS 29 -0.647 1.325 7.073 232 HA LYS 29 HA LYS 29 -0.059 -0.679 8.873 233 HB2 LYS 29 2HB LYS 29 -2.022 -0.230 7.280 234 HB3 LYS 29 3HB LYS 29 -1.165 -1.158 6.061 235 HG2 LYS 29 2HG LYS 29 -1.350 -3.154 7.330 236 HG3 LYS 29 3HG LYS 29 -1.781 -2.281 8.803 237 HD2 LYS 29 2HD LYS 29 -3.462 -2.046 6.306 238 HD3 LYS 29 3HD LYS 29 -3.664 -3.434 7.396 239 HE2 LYS 29 2HE LYS 29 -5.301 -2.136 8.228 240 HE3 LYS 29 3HE LYS 29 -3.983 -1.554 9.231 241 HZ1 LYS 29 3HZ LYS 29 -5.371 0.206 8.352 242 HZ2 LYS 29 1HZ LYS 29 -3.889 0.436 7.779 243 HZ3 LYS 29 2HZ LYS 29 -5.102 -0.129 6.825 244 H ILE 30 HN ILE 30 1.041 -0.441 5.558 245 HA ILE 30 HA ILE 30 2.609 -2.876 5.594 246 HB ILE 30 HB ILE 30 3.502 -1.112 3.503 247 HG12 ILE 30 2HG1 ILE 30 0.502 -1.370 3.657 248 HG13 ILE 30 3HG1 ILE 30 1.442 0.099 3.902 249 HG21 ILE 30 1HG2 ILE 30 1.747 -3.528 3.217 250 HG22 ILE 30 2HG2 ILE 30 2.799 -2.777 2.013 251 HG23 ILE 30 3HG2 ILE 30 3.513 -3.559 3.421 252 HD11 ILE 30 3HD1 ILE 30 2.015 0.242 1.623 253 HD12 ILE 30 1HD1 ILE 30 1.159 -1.305 1.304 254 HD13 ILE 30 2HD1 ILE 30 0.260 0.094 1.866 255 H GLN 31 HN GLN 31 3.384 0.664 5.918 256 HA GLN 31 HA GLN 31 6.171 0.354 5.853 257 HB2 GLN 31 2HB GLN 31 6.310 2.598 6.269 258 HB3 GLN 31 3HB GLN 31 4.662 2.486 5.819 259 HG2 GLN 31 2HG GLN 31 4.581 3.957 7.522 260 HG3 GLN 31 3HG GLN 31 4.036 2.493 8.259 261 HE21 GLN 31 1HE2 GLN 31 5.492 1.418 9.835 262 HE22 GLN 31 2HE2 GLN 31 6.474 2.469 10.828 263 H ASP 32 HN ASP 32 3.854 0.207 8.481 264 HA ASP 32 HA ASP 32 5.564 -0.279 10.698 265 HB2 ASP 32 2HB ASP 32 3.177 0.456 10.645 266 HB3 ASP 32 3HB ASP 32 2.696 -1.174 10.189 267 H LYS 33 HN LYS 33 3.552 -2.724 8.912 268 HA LYS 33 HA LYS 33 4.682 -4.899 10.287 269 HB2 LYS 33 2HB LYS 33 3.368 -4.708 7.586 270 HB3 LYS 33 3HB LYS 33 3.809 -6.266 8.302 271 HG2 LYS 33 2HG LYS 33 2.271 -5.933 10.152 272 HG3 LYS 33 3HG LYS 33 1.970 -4.266 9.665 273 HD2 LYS 33 2HD LYS 33 0.139 -5.171 8.677 274 HD3 LYS 33 3HD LYS 33 1.267 -5.378 7.357 275 HE2 LYS 33 2HE LYS 33 0.044 -7.392 7.530 276 HE3 LYS 33 3HE LYS 33 1.660 -7.761 8.147 277 HZ1 LYS 33 3HZ LYS 33 -0.588 -8.357 9.391 278 HZ2 LYS 33 1HZ LYS 33 0.807 -8.071 10.227 279 HZ3 LYS 33 2HZ LYS 33 -0.329 -6.902 10.085 280 H GLU 34 HN GLU 34 5.833 -3.359 7.273 281 HA GLU 34 HA GLU 34 7.850 -5.453 6.794 282 HB2 GLU 34 2HB GLU 34 7.117 -2.816 5.484 283 HB3 GLU 34 3HB GLU 34 8.641 -3.590 5.113 284 HG2 GLU 34 2HG GLU 34 6.355 -5.461 4.930 285 HG3 GLU 34 3HG GLU 34 6.230 -4.081 3.838 286 H GLY 35 HN GLY 35 7.619 -2.724 8.936 287 HA2 GLY 35 1HA GLY 35 9.107 -1.629 10.222 288 HA3 GLY 35 2HA GLY 35 10.258 -2.951 9.930 289 H ILE 36 HN ILE 36 8.764 -0.183 8.166 290 HA ILE 36 HA ILE 36 11.359 0.748 7.204 291 HB ILE 36 HB ILE 36 10.776 -0.822 5.482 292 HG12 ILE 36 2HG1 ILE 36 10.185 2.013 4.592 293 HG13 ILE 36 3HG1 ILE 36 11.736 1.175 4.601 294 HG21 ILE 36 1HG2 ILE 36 8.722 -1.008 4.301 295 HG22 ILE 36 2HG2 ILE 36 8.315 -1.012 6.010 296 HG23 ILE 36 3HG2 ILE 36 8.104 0.474 5.073 297 HD11 ILE 36 3HD1 ILE 36 9.342 0.656 2.788 298 HD12 ILE 36 1HD1 ILE 36 10.936 1.280 2.345 299 HD13 ILE 36 2HD1 ILE 36 10.770 -0.414 2.872 300 HA PRO 37 HA PRO 37 8.788 4.299 8.084 301 HB2 PRO 37 2HB PRO 37 10.451 6.359 7.356 302 HB3 PRO 37 3HB PRO 37 10.800 5.297 8.736 303 HG2 PRO 37 2HG PRO 37 11.884 5.080 5.916 304 HG3 PRO 37 3HG PRO 37 12.803 5.080 7.454 305 HD2 PRO 37 2HD PRO 37 12.083 2.773 6.194 306 HD3 PRO 37 3HD PRO 37 12.112 2.890 7.974 307 HA PRO 38 HA PRO 38 6.710 5.842 4.341 308 HB2 PRO 38 2HB PRO 38 6.555 8.571 4.786 309 HB3 PRO 38 3HB PRO 38 5.505 7.367 5.567 310 HG2 PRO 38 2HG PRO 38 8.059 8.570 6.675 311 HG3 PRO 38 3HG PRO 38 6.460 8.421 7.473 312 HD2 PRO 38 2HD PRO 38 8.327 6.617 7.998 313 HD3 PRO 38 3HD PRO 38 6.666 6.071 7.626 314 H ASP 39 HN ASP 39 9.766 7.155 5.296 315 HA ASP 39 HA ASP 39 10.431 9.033 3.441 316 HB2 ASP 39 2HB ASP 39 11.667 7.848 5.542 317 HB3 ASP 39 3HB ASP 39 12.570 7.062 4.244 318 H GLN 40 HN GLN 40 10.532 5.516 2.995 319 HA GLN 40 HA GLN 40 10.820 5.868 0.073 320 HB2 GLN 40 2HB GLN 40 12.681 4.285 1.865 321 HB3 GLN 40 3HB GLN 40 12.273 3.635 0.297 322 HG2 GLN 40 2HG GLN 40 13.968 4.757 -0.490 323 HG3 GLN 40 3HG GLN 40 12.897 6.138 -0.516 324 HE21 GLN 40 1HE2 GLN 40 13.129 7.759 1.315 325 HE22 GLN 40 2HE2 GLN 40 14.705 7.856 2.074 326 H GLN 41 HN GLN 41 8.440 5.549 1.620 327 HA GLN 41 HA GLN 41 7.595 2.883 0.606 328 HB2 GLN 41 2HB GLN 41 8.234 2.912 3.014 329 HB3 GLN 41 3HB GLN 41 6.888 4.002 3.349 330 HG2 GLN 41 2HG GLN 41 6.449 1.373 1.883 331 HG3 GLN 41 3HG GLN 41 6.771 1.367 3.613 332 HE21 GLN 41 1HE2 GLN 41 4.582 0.292 2.945 333 HE22 GLN 41 2HE2 GLN 41 3.255 1.325 3.543 334 H ARG 42 HN ARG 42 7.067 4.143 -1.189 335 HA ARG 42 HA ARG 42 4.720 5.920 -0.959 336 HE ARG 42 HE ARG 42 4.866 9.225 -5.114 337 HB2 ARG 42 2HB ARG 42 6.792 5.498 -2.911 338 HB3 ARG 42 3HB ARG 42 5.269 5.056 -3.686 339 HG2 ARG 42 2HG ARG 42 4.312 7.272 -3.046 340 HG3 ARG 42 3HG ARG 42 5.861 7.700 -2.262 341 HD2 ARG 42 2HD ARG 42 7.013 7.303 -4.468 342 HD3 ARG 42 3HD ARG 42 5.444 6.987 -5.194 343 HH11 ARG 42 2HH2 ARG 42 7.902 8.876 -3.313 344 HH12 ARG 42 1HH2 ARG 42 8.445 10.468 -3.663 345 HH21 ARG 42 2HH1 ARG 42 5.534 11.431 -5.384 346 HH22 ARG 42 1HH1 ARG 42 7.185 11.854 -5.058 347 H LEU 43 HN LEU 43 2.829 5.351 -2.524 348 HA LEU 43 HA LEU 43 2.047 2.506 -2.380 349 HG LEU 43 HG LEU 43 -1.134 3.612 -0.406 350 HB2 LEU 43 2HB LEU 43 1.392 4.036 -0.335 351 HB3 LEU 43 3HB LEU 43 0.399 4.910 -1.465 352 HD11 LEU 43 1HD1 LEU 43 -1.362 3.194 -2.849 353 HD12 LEU 43 2HD1 LEU 43 -0.412 1.735 -2.669 354 HD13 LEU 43 3HD1 LEU 43 -1.988 1.892 -1.845 355 HD21 LEU 43 3HD2 LEU 43 -0.614 1.164 0.103 356 HD22 LEU 43 1HD2 LEU 43 1.083 1.573 -0.277 357 HD23 LEU 43 2HD2 LEU 43 0.205 2.394 1.020 358 H ILE 44 HN ILE 44 1.246 2.052 -4.566 359 HA ILE 44 HA ILE 44 -0.229 4.209 -5.973 360 HB ILE 44 HB ILE 44 1.881 2.439 -7.148 361 HG12 ILE 44 2HG1 ILE 44 2.639 4.650 -6.263 362 HG13 ILE 44 3HG1 ILE 44 2.954 4.367 -7.961 363 HG21 ILE 44 1HG2 ILE 44 1.161 3.363 -9.395 364 HG22 ILE 44 2HG2 ILE 44 0.016 2.242 -8.679 365 HG23 ILE 44 3HG2 ILE 44 -0.311 3.989 -8.605 366 HD11 ILE 44 3HD1 ILE 44 1.127 5.844 -8.630 367 HD12 ILE 44 1HD1 ILE 44 0.668 6.076 -6.907 368 HD13 ILE 44 2HD1 ILE 44 2.210 6.676 -7.524 369 H PHE 45 HN PHE 45 -2.257 3.469 -6.225 370 HA PHE 45 HA PHE 45 -2.964 0.720 -5.746 371 HD1 PHE 45 HD1 PHE 45 -5.009 -0.246 -5.256 372 HD2 PHE 45 HD2 PHE 45 -5.333 3.793 -3.842 373 HE1 PHE 45 HE1 PHE 45 -5.332 -1.094 -2.975 374 HE2 PHE 45 HE2 PHE 45 -5.681 2.938 -1.574 375 HZ PHE 45 HZ PHE 45 -5.666 0.513 -1.105 376 HB2 PHE 45 2HB PHE 45 -4.579 3.228 -6.355 377 HB3 PHE 45 3HB PHE 45 -5.263 1.695 -6.810 378 H ALA 46 HN ALA 46 -4.235 2.341 -8.649 379 HA ALA 46 HA ALA 46 -3.483 -0.039 -10.216 380 HB1 ALA 46 1HB ALA 46 -5.789 0.824 -10.338 381 HB2 ALA 46 2HB ALA 46 -5.187 2.366 -10.957 382 HB3 ALA 46 3HB ALA 46 -4.974 0.874 -11.897 383 H GLY 47 HN GLY 47 -3.542 3.329 -11.375 384 HA2 GLY 47 1HA GLY 47 -0.649 3.684 -11.389 385 HA3 GLY 47 2HA GLY 47 -1.408 3.480 -12.984 386 H LYS 48 HN LYS 48 -1.478 5.381 -9.964 387 HA LYS 48 HA LYS 48 -2.252 7.812 -11.310 388 HB2 LYS 48 2HB LYS 48 -4.176 8.207 -9.802 389 HB3 LYS 48 3HB LYS 48 -4.457 7.043 -11.052 390 HG2 LYS 48 2HG LYS 48 -5.132 5.488 -9.668 391 HG3 LYS 48 3HG LYS 48 -3.667 5.546 -8.716 392 HD2 LYS 48 2HD LYS 48 -5.922 5.887 -7.603 393 HD3 LYS 48 3HD LYS 48 -4.570 6.959 -7.132 394 HE2 LYS 48 2HE LYS 48 -5.517 8.786 -8.517 395 HE3 LYS 48 3HE LYS 48 -6.820 7.711 -9.034 396 HZ1 LYS 48 3HZ LYS 48 -6.394 8.880 -6.357 397 HZ2 LYS 48 1HZ LYS 48 -7.622 9.144 -7.384 398 HZ3 LYS 48 2HZ LYS 48 -7.554 7.693 -6.672 399 H GLN 49 HN GLN 49 -2.169 9.652 -9.720 400 HA GLN 49 HA GLN 49 0.200 9.620 -8.449 401 HB2 GLN 49 2HB GLN 49 -1.343 11.630 -9.041 402 HB3 GLN 49 3HB GLN 49 -2.023 11.403 -7.423 403 HG2 GLN 49 2HG GLN 49 0.453 11.523 -6.589 404 HG3 GLN 49 3HG GLN 49 0.808 12.152 -8.193 405 HE21 GLN 49 1HE2 GLN 49 -0.703 14.175 -8.856 406 HE22 GLN 49 2HE2 GLN 49 -0.702 15.349 -7.576 407 H LEU 50 HN LEU 50 -2.920 9.040 -6.914 408 HA LEU 50 HA LEU 50 -3.521 7.632 -5.263 409 HG LEU 50 HG LEU 50 -1.347 4.769 -4.364 410 HB2 LEU 50 2HB LEU 50 -1.228 6.496 -5.884 411 HB3 LEU 50 3HB LEU 50 -0.688 7.129 -4.354 412 HD11 LEU 50 1HD1 LEU 50 -1.391 6.043 -2.360 413 HD12 LEU 50 2HD1 LEU 50 -3.019 6.615 -2.732 414 HD13 LEU 50 3HD1 LEU 50 -2.730 4.882 -2.381 415 HD21 LEU 50 3HD2 LEU 50 -4.190 5.629 -4.635 416 HD22 LEU 50 1HD2 LEU 50 -3.216 5.136 -6.060 417 HD23 LEU 50 2HD2 LEU 50 -3.416 4.033 -4.680 418 H GLU 51 HN GLU 51 -4.244 9.772 -4.866 419 HA GLU 51 HA GLU 51 -3.130 11.585 -3.033 420 HB2 GLU 51 2HB GLU 51 -6.048 11.013 -3.767 421 HB3 GLU 51 3HB GLU 51 -5.483 12.396 -2.844 422 HG2 GLU 51 2HG GLU 51 -5.803 13.189 -5.023 423 HG3 GLU 51 3HG GLU 51 -4.062 13.088 -4.799 424 H ASP 52 HN ASP 52 -2.734 11.302 -0.932 425 HA ASP 52 HA ASP 52 -3.393 9.121 0.594 426 HB2 ASP 52 2HB ASP 52 -2.549 11.887 1.422 427 HB3 ASP 52 3HB ASP 52 -2.819 10.593 2.592 428 H GLY 53 HN GLY 53 -4.988 12.241 0.528 429 HA2 GLY 53 1HA GLY 53 -6.437 11.793 2.981 430 HA3 GLY 53 2HA GLY 53 -6.524 13.227 1.948 431 H ARG 54 HN ARG 54 -7.490 9.759 1.953 432 HA ARG 54 HA ARG 54 -10.125 10.448 0.827 433 HE ARG 54 HE ARG 54 -11.681 11.466 -3.467 434 HB2 ARG 54 2HB ARG 54 -7.832 9.197 -0.586 435 HB3 ARG 54 3HB ARG 54 -9.358 8.349 -0.853 436 HG2 ARG 54 2HG ARG 54 -8.797 11.265 -1.461 437 HG3 ARG 54 3HG ARG 54 -8.870 9.960 -2.633 438 HD2 ARG 54 2HD ARG 54 -11.199 9.596 -2.341 439 HD3 ARG 54 3HD ARG 54 -11.283 10.552 -0.865 440 HH11 ARG 54 2HH2 ARG 54 -9.931 12.586 -0.543 441 HH12 ARG 54 1HH2 ARG 54 -10.340 14.232 -0.782 442 HH21 ARG 54 2HH1 ARG 54 -12.168 13.704 -3.750 443 HH22 ARG 54 1HH1 ARG 54 -11.409 14.913 -2.739 444 H THR 55 HN THR 55 -10.940 7.912 0.190 445 HA THR 55 HA THR 55 -11.003 6.505 2.778 446 HB THR 55 HB THR 55 -13.391 7.127 0.969 447 HG1 THR 55 HG1 THR 55 -12.547 8.415 3.358 448 HG21 THR 55 3HG2 THR 55 -13.332 6.206 3.879 449 HG22 THR 55 1HG2 THR 55 -14.772 6.491 2.879 450 HG23 THR 55 2HG2 THR 55 -13.676 5.149 2.492 451 H LEU 56 HN LEU 56 -10.762 4.332 2.388 452 HA LEU 56 HA LEU 56 -10.227 3.474 -0.233 453 HG LEU 56 HG LEU 56 -8.261 2.077 2.063 454 HB2 LEU 56 2HB LEU 56 -10.431 2.295 2.464 455 HB3 LEU 56 3HB LEU 56 -10.935 1.199 1.233 456 HD11 LEU 56 1HD1 LEU 56 -7.784 -0.089 0.887 457 HD12 LEU 56 2HD1 LEU 56 -9.032 -0.134 2.109 458 HD13 LEU 56 3HD1 LEU 56 -9.514 -0.158 0.391 459 HD21 LEU 56 3HD2 LEU 56 -7.075 2.008 -0.001 460 HD22 LEU 56 1HD2 LEU 56 -8.579 1.959 -0.954 461 HD23 LEU 56 2HD2 LEU 56 -8.135 3.411 -0.006 462 H SER 57 HN SER 57 -13.271 3.846 1.191 463 HA SER 57 HA SER 57 -14.804 2.020 -0.352 464 HG SER 57 HG SER 57 -16.875 2.229 0.666 465 HB2 SER 57 2HB SER 57 -15.454 3.533 1.667 466 HB3 SER 57 3HB SER 57 -15.724 4.803 0.464 467 H ASP 58 HN ASP 58 -13.139 4.984 -1.266 468 HA ASP 58 HA ASP 58 -14.596 5.302 -3.816 469 HB2 ASP 58 2HB ASP 58 -14.067 7.397 -2.941 470 HB3 ASP 58 3HB ASP 58 -12.511 6.878 -2.309 471 H TYR 59 HN TYR 59 -11.208 4.863 -2.751 472 HA TYR 59 HA TYR 59 -10.093 4.291 -5.184 473 HD1 TYR 59 HD2 TYR 59 -7.479 4.248 -5.410 474 HD2 TYR 59 HD1 TYR 59 -8.973 5.778 -1.655 475 HE1 TYR 59 HE2 TYR 59 -6.044 6.255 -5.609 476 HE2 TYR 59 HE1 TYR 59 -7.433 7.725 -1.889 477 HH TYR 59 HH TYR 59 -5.705 8.672 -3.117 478 HB2 TYR 59 2HB TYR 59 -9.435 3.503 -2.350 479 HB3 TYR 59 3HB TYR 59 -8.479 2.797 -3.665 480 H ASN 60 HN ASN 60 -11.199 1.883 -2.890 481 HA ASN 60 HA ASN 60 -12.257 0.000 -3.072 482 HB2 ASN 60 2HB ASN 60 -13.752 1.646 -4.031 483 HB3 ASN 60 3HB ASN 60 -13.174 1.269 -5.655 484 HD21 ASN 60 1HD2 ASN 60 -14.686 -0.037 -6.717 485 HD22 ASN 60 2HD2 ASN 60 -15.516 -1.379 -5.952 486 H ILE 61 HN ILE 61 -11.387 -1.886 -3.085 487 HA ILE 61 HA ILE 61 -10.325 -3.074 -5.548 488 HB ILE 61 HB ILE 61 -8.250 -3.257 -4.382 489 HG12 ILE 61 2HG1 ILE 61 -8.903 -2.704 -1.993 490 HG13 ILE 61 3HG1 ILE 61 -7.438 -1.993 -2.564 491 HG21 ILE 61 1HG2 ILE 61 -8.938 -0.391 -5.031 492 HG22 ILE 61 2HG2 ILE 61 -7.308 -1.011 -4.852 493 HG23 ILE 61 3HG2 ILE 61 -8.371 -1.646 -6.092 494 HD11 ILE 61 3HD1 ILE 61 -8.782 0.192 -2.986 495 HD12 ILE 61 1HD1 ILE 61 -10.030 -0.578 -1.968 496 HD13 ILE 61 2HD1 ILE 61 -8.370 -0.311 -1.390 497 H GLN 62 HN GLN 62 -9.846 -5.305 -5.299 498 HA GLN 62 HA GLN 62 -10.158 -6.577 -2.616 499 HB2 GLN 62 2HB GLN 62 -11.644 -7.367 -5.177 500 HB3 GLN 62 3HB GLN 62 -11.699 -8.182 -3.588 501 HG2 GLN 62 2HG GLN 62 -12.565 -5.996 -2.627 502 HG3 GLN 62 3HG GLN 62 -12.696 -5.401 -4.325 503 HE21 GLN 62 1HE2 GLN 62 -14.960 -5.285 -3.134 504 HE22 GLN 62 2HE2 GLN 62 -16.041 -6.614 -3.525 505 H LYS 63 HN LYS 63 -8.006 -7.260 -2.584 506 HA LYS 63 HA LYS 63 -6.168 -8.541 -2.963 507 HB2 LYS 63 2HB LYS 63 -7.854 -10.231 -4.829 508 HB3 LYS 63 3HB LYS 63 -6.304 -10.654 -4.149 509 HG2 LYS 63 2HG LYS 63 -7.160 -11.286 -2.146 510 HG3 LYS 63 3HG LYS 63 -8.354 -9.993 -2.077 511 HD2 LYS 63 2HD LYS 63 -9.810 -11.118 -3.650 512 HD3 LYS 63 3HD LYS 63 -8.630 -12.392 -3.930 513 HE2 LYS 63 2HE LYS 63 -10.044 -11.838 -1.278 514 HE3 LYS 63 3HE LYS 63 -10.519 -13.061 -2.451 515 HZ1 LYS 63 3HZ LYS 63 -8.078 -13.028 -0.814 516 HZ2 LYS 63 1HZ LYS 63 -9.248 -14.146 -0.829 517 HZ3 LYS 63 2HZ LYS 63 -8.215 -14.018 -2.127 518 H GLU 64 HN GLU 64 -7.747 -8.501 -6.126 519 HA GLU 64 HA GLU 64 -6.165 -7.853 -8.169 520 HB2 GLU 64 2HB GLU 64 -8.755 -6.730 -7.057 521 HB3 GLU 64 3HB GLU 64 -8.080 -5.927 -8.442 522 HG2 GLU 64 2HG GLU 64 -8.163 -8.881 -8.733 523 HG3 GLU 64 3HG GLU 64 -9.737 -8.100 -8.537 524 H SER 65 HN SER 65 -6.826 -5.708 -5.485 525 HA SER 65 HA SER 65 -5.882 -3.254 -6.351 526 HG SER 65 HG SER 65 -4.284 -4.556 -3.479 527 HB2 SER 65 2HB SER 65 -6.285 -2.790 -4.239 528 HB3 SER 65 3HB SER 65 -6.654 -4.511 -3.906 529 H THR 66 HN THR 66 -4.079 -5.989 -5.023 530 HA THR 66 HA THR 66 -1.892 -5.906 -4.183 531 HB THR 66 HB THR 66 -2.306 -7.655 -5.680 532 HG1 THR 66 HG1 THR 66 0.170 -6.390 -6.045 533 HG21 THR 66 3HG2 THR 66 -3.069 -6.563 -7.679 534 HG22 THR 66 1HG2 THR 66 -1.498 -5.798 -7.954 535 HG23 THR 66 2HG2 THR 66 -1.686 -7.553 -8.078 536 H LEU 67 HN LEU 67 -2.129 -3.398 -3.955 537 HA LEU 67 HA LEU 67 -0.911 -1.728 -5.812 538 HG LEU 67 HG LEU 67 -1.509 -0.284 -1.872 539 HB2 LEU 67 2HB LEU 67 -0.989 -0.060 -4.167 540 HB3 LEU 67 3HB LEU 67 -2.382 -1.057 -3.919 541 HD11 LEU 67 1HD1 LEU 67 -2.447 -2.501 -1.871 542 HD12 LEU 67 2HD1 LEU 67 -0.816 -3.202 -2.056 543 HD13 LEU 67 3HD1 LEU 67 -1.240 -2.280 -0.600 544 HD21 LEU 67 3HD2 LEU 67 0.611 -0.543 -0.964 545 HD22 LEU 67 1HD2 LEU 67 1.157 -1.673 -2.168 546 HD23 LEU 67 2HD2 LEU 67 0.925 0.015 -2.621 547 H HIS 68 HN HIS 68 1.176 -0.838 -5.953 548 HA HIS 68 HA HIS 68 3.255 -2.700 -4.870 549 HD1 HIS 68 HD1 HIS 68 1.433 -2.313 -8.850 550 HD2 HIS 68 HD2 HIS 68 3.902 0.825 -7.466 551 HE1 HIS 68 HE1 HIS 68 0.865 -0.253 -10.251 552 HB2 HIS 68 2HB HIS 68 4.587 -1.772 -6.834 553 HB3 HIS 68 3HB HIS 68 3.344 -2.983 -7.147 554 H LEU 69 HN LEU 69 4.999 -1.840 -3.913 555 HA LEU 69 HA LEU 69 4.684 0.981 -3.005 556 HG LEU 69 HG LEU 69 4.522 -2.067 -1.376 557 HB2 LEU 69 2HB LEU 69 6.671 -0.948 -1.849 558 HB3 LEU 69 3HB LEU 69 6.048 0.544 -1.185 559 HD11 LEU 69 1HD1 LEU 69 4.777 -2.149 1.028 560 HD12 LEU 69 2HD1 LEU 69 6.387 -1.826 0.359 561 HD13 LEU 69 3HD1 LEU 69 5.467 -0.514 1.056 562 HD21 LEU 69 3HD2 LEU 69 2.766 -0.986 -0.185 563 HD22 LEU 69 1HD2 LEU 69 3.679 0.546 -0.058 564 HD23 LEU 69 2HD2 LEU 69 3.082 -0.008 -1.622 565 H VAL 70 HN VAL 70 6.797 2.148 -2.907 566 HA VAL 70 HA VAL 70 8.582 1.476 -5.177 567 HB VAL 70 HB VAL 70 7.151 4.155 -4.852 568 HG11 VAL 70 1HG1 VAL 70 8.210 4.749 -6.982 569 HG12 VAL 70 2HG1 VAL 70 9.436 4.373 -5.774 570 HG13 VAL 70 3HG1 VAL 70 9.045 3.181 -7.031 571 HG21 VAL 70 3HG2 VAL 70 6.729 1.973 -6.935 572 HG22 VAL 70 1HG2 VAL 70 5.546 2.545 -5.746 573 HG23 VAL 70 2HG2 VAL 70 6.070 3.621 -7.040 574 H LEU 71 HN LEU 71 10.602 1.638 -4.456 575 HA LEU 71 HA LEU 71 11.401 3.474 -2.322 576 HG LEU 71 HG LEU 71 11.520 -0.181 -3.258 577 HB2 LEU 71 2HB LEU 71 12.440 1.704 -1.053 578 HB3 LEU 71 3HB LEU 71 10.743 1.363 -1.266 579 HD11 LEU 71 1HD1 LEU 71 14.054 0.016 -1.577 580 HD12 LEU 71 2HD1 LEU 71 13.713 -1.286 -2.745 581 HD13 LEU 71 3HD1 LEU 71 13.922 0.365 -3.308 582 HD21 LEU 71 3HD2 LEU 71 11.948 -0.868 -0.325 583 HD22 LEU 71 1HD2 LEU 71 10.428 -0.981 -1.231 584 HD23 LEU 71 2HD2 LEU 71 11.781 -2.058 -1.630 585 H ARG 72 HN ARG 72 13.903 3.514 -2.257 586 HA ARG 72 HA ARG 72 15.339 2.402 -4.488 587 HE ARG 72 HE ARG 72 13.055 3.768 -8.051 588 HB2 ARG 72 2HB ARG 72 14.914 5.433 -4.301 589 HB3 ARG 72 3HB ARG 72 16.399 4.736 -4.935 590 HG2 ARG 72 2HG ARG 72 15.396 4.920 -6.904 591 HG3 ARG 72 3HG ARG 72 14.736 3.341 -6.486 592 HD2 ARG 72 2HD ARG 72 12.657 4.553 -5.635 593 HD3 ARG 72 3HD ARG 72 13.391 6.063 -6.192 594 HH11 ARG 72 2HH2 ARG 72 11.904 7.068 -7.222 595 HH12 ARG 72 1HH2 ARG 72 11.452 7.383 -8.878 596 HH21 ARG 72 2HH1 ARG 72 12.363 4.236 -10.116 597 HH22 ARG 72 1HH1 ARG 72 11.648 5.779 -10.488 598 H LEU 73 HN LEU 73 17.539 2.417 -4.024 599 HA LEU 73 HA LEU 73 19.259 1.955 -2.701 600 HG LEU 73 HG LEU 73 21.029 3.157 -3.111 601 HB2 LEU 73 2HB LEU 73 18.741 4.832 -2.012 602 HB3 LEU 73 3HB LEU 73 19.751 3.905 -0.907 603 HD11 LEU 73 1HD1 LEU 73 19.473 4.305 -4.687 604 HD12 LEU 73 2HD1 LEU 73 19.892 5.862 -3.937 605 HD13 LEU 73 3HD1 LEU 73 21.130 4.919 -4.795 606 HD21 LEU 73 3HD2 LEU 73 22.592 4.999 -2.764 607 HD22 LEU 73 1HD2 LEU 73 21.358 5.920 -1.873 608 HD23 LEU 73 2HD2 LEU 73 21.982 4.392 -1.219 609 H ARG 74 HN ARG 74 18.767 0.184 -1.555 610 HA ARG 74 HA ARG 74 16.911 0.340 0.720 611 HE ARG 74 HE ARG 74 16.314 -3.931 0.537 612 HB2 ARG 74 2HB ARG 74 18.365 -1.957 -0.622 613 HB3 ARG 74 3HB ARG 74 17.517 -2.150 0.904 614 HG2 ARG 74 2HG ARG 74 15.412 -1.437 -0.061 615 HG3 ARG 74 3HG ARG 74 16.199 -0.965 -1.565 616 HD2 ARG 74 2HD ARG 74 14.915 -3.063 -1.766 617 HD3 ARG 74 3HD ARG 74 16.625 -3.214 -2.201 618 HH11 ARG 74 2HH2 ARG 74 15.245 -5.186 -2.655 619 HH12 ARG 74 1HH2 ARG 74 15.499 -6.818 -2.228 620 HH21 ARG 74 2HH1 ARG 74 16.698 -6.097 1.050 621 HH22 ARG 74 1HH1 ARG 74 16.305 -7.388 -0.048 622 H GLY 75 HN GLY 75 17.488 0.387 2.800 623 HA2 GLY 75 1HA GLY 75 19.945 -0.158 4.056 624 HA3 GLY 75 2HA GLY 75 20.008 1.533 3.502 625 H GLY 76 HN GLY 76 18.685 3.070 4.468 626 HA2 GLY 76 1HA GLY 76 17.492 4.051 6.161 627 HA3 GLY 76 2HA GLY 76 16.413 2.608 6.135 Start of MODEL 3 1 HA MET 1 HA MET 1 -10.960 -8.635 3.103 2 H1 MET 1 HN MET 1 -10.939 -7.053 5.600 3 HB2 MET 1 2HB MET 1 -12.003 -6.497 2.694 4 HB3 MET 1 3HB MET 1 -10.700 -5.633 3.494 5 HG2 MET 1 2HG MET 1 -9.124 -6.329 1.720 6 HG3 MET 1 3HG MET 1 -10.379 -7.331 0.996 7 HE1 MET 1 3HE MET 1 -8.813 -3.762 1.297 8 HE2 MET 1 1HE MET 1 -10.163 -2.703 0.830 9 HE3 MET 1 2HE MET 1 -10.229 -3.608 2.353 10 H GLN 2 HN GLN 2 -8.888 -9.188 2.251 11 HA GLN 2 HA GLN 2 -6.586 -7.875 3.408 12 HB2 GLN 2 2HB GLN 2 -5.392 -9.897 4.022 13 HB3 GLN 2 3HB GLN 2 -6.879 -9.760 4.952 14 HG2 GLN 2 2HG GLN 2 -7.914 -11.365 3.173 15 HG3 GLN 2 3HG GLN 2 -6.236 -11.689 2.702 16 HE21 GLN 2 1HE2 GLN 2 -8.281 -13.478 3.963 17 HE22 GLN 2 2HE2 GLN 2 -7.644 -13.967 5.535 18 H ILE 3 HN ILE 3 -4.831 -7.889 2.022 19 HA ILE 3 HA ILE 3 -5.297 -8.971 -0.677 20 HB ILE 3 HB ILE 3 -5.405 -7.037 -1.741 21 HG12 ILE 3 2HG1 ILE 3 -3.534 -5.777 -1.526 22 HG13 ILE 3 3HG1 ILE 3 -4.731 -4.720 -0.839 23 HG21 ILE 3 1HG2 ILE 3 -6.887 -5.396 -0.726 24 HG22 ILE 3 2HG2 ILE 3 -7.355 -7.022 -0.250 25 HG23 ILE 3 3HG2 ILE 3 -6.480 -5.968 0.889 26 HD11 ILE 3 3HD1 ILE 3 -3.984 -5.633 1.453 27 HD12 ILE 3 1HD1 ILE 3 -2.520 -6.111 0.562 28 HD13 ILE 3 2HD1 ILE 3 -3.005 -4.418 0.602 29 H PHE 4 HN PHE 4 -3.164 -8.332 -2.025 30 HA PHE 4 HA PHE 4 -0.885 -9.294 -0.398 31 HD1 PHE 4 HD2 PHE 4 -1.831 -11.530 -0.548 32 HD2 PHE 4 HD1 PHE 4 -2.392 -10.534 -4.706 33 HE1 PHE 4 HE2 PHE 4 -3.448 -13.385 -0.780 34 HE2 PHE 4 HE1 PHE 4 -4.045 -12.353 -4.913 35 HZ PHE 4 HZ PHE 4 -4.572 -13.792 -2.950 36 HB2 PHE 4 2HB PHE 4 -1.093 -9.150 -3.392 37 HB3 PHE 4 3HB PHE 4 0.002 -10.125 -2.439 38 H VAL 5 HN VAL 5 1.307 -8.382 -1.494 39 HA VAL 5 HA VAL 5 1.078 -5.609 -2.360 40 HB VAL 5 HB VAL 5 2.547 -6.521 0.131 41 HG11 VAL 5 1HG1 VAL 5 3.398 -4.260 0.391 42 HG12 VAL 5 2HG1 VAL 5 3.973 -4.984 -1.100 43 HG13 VAL 5 3HG1 VAL 5 2.657 -3.817 -1.162 44 HG21 VAL 5 3HG2 VAL 5 1.284 -4.719 1.317 45 HG22 VAL 5 1HG2 VAL 5 0.287 -4.520 -0.141 46 HG23 VAL 5 2HG2 VAL 5 0.273 -6.042 0.754 47 H LYS 6 HN LYS 6 2.786 -5.213 -3.756 48 HA LYS 6 HA LYS 6 4.657 -7.493 -4.259 49 HB2 LYS 6 2HB LYS 6 3.610 -5.300 -6.067 50 HB3 LYS 6 3HB LYS 6 5.044 -6.278 -6.437 51 HG2 LYS 6 2HG LYS 6 3.815 -8.347 -6.236 52 HG3 LYS 6 3HG LYS 6 2.345 -7.480 -5.774 53 HD2 LYS 6 2HD LYS 6 2.191 -6.463 -8.002 54 HD3 LYS 6 3HD LYS 6 3.715 -7.257 -8.488 55 HE2 LYS 6 2HE LYS 6 2.775 -9.473 -8.099 56 HE3 LYS 6 3HE LYS 6 1.344 -8.783 -7.345 57 HZ1 LYS 6 3HZ LYS 6 0.866 -9.538 -9.492 58 HZ2 LYS 6 1HZ LYS 6 0.635 -7.931 -9.445 59 HZ3 LYS 6 2HZ LYS 6 1.965 -8.547 -10.228 60 H THR 7 HN THR 7 5.717 -6.958 -2.398 61 HA THR 7 HA THR 7 7.252 -4.547 -2.131 62 HB THR 7 HB THR 7 7.743 -7.227 -0.801 63 HG1 THR 7 HG1 THR 7 6.043 -6.937 0.545 64 HG21 THR 7 3HG2 THR 7 9.117 -5.335 -0.019 65 HG22 THR 7 1HG2 THR 7 7.656 -4.354 0.217 66 HG23 THR 7 2HG2 THR 7 7.955 -5.772 1.236 67 H LEU 8 HN LEU 8 9.716 -4.806 -1.952 68 HA LEU 8 HA LEU 8 10.878 -6.204 -4.224 69 HG LEU 8 HG LEU 8 13.337 -5.875 -4.376 70 HB2 LEU 8 2HB LEU 8 11.516 -3.880 -3.010 71 HB3 LEU 8 3HB LEU 8 12.500 -4.954 -2.019 72 HD11 LEU 8 1HD1 LEU 8 12.305 -3.116 -5.141 73 HD12 LEU 8 2HD1 LEU 8 13.314 -4.192 -6.150 74 HD13 LEU 8 3HD1 LEU 8 11.666 -4.647 -5.721 75 HD21 LEU 8 3HD2 LEU 8 14.117 -3.187 -3.209 76 HD22 LEU 8 1HD2 LEU 8 14.808 -4.773 -2.830 77 HD23 LEU 8 2HD2 LEU 8 15.059 -4.066 -4.439 78 H THR 9 HN THR 9 9.944 -7.376 -1.224 79 HA THR 9 HA THR 9 12.143 -9.355 -1.135 80 HB THR 9 HB THR 9 11.834 -7.834 0.858 81 HG1 THR 9 HG1 THR 9 11.800 -9.880 2.250 82 HG21 THR 9 3HG2 THR 9 9.360 -7.878 1.044 83 HG22 THR 9 1HG2 THR 9 9.441 -9.597 1.495 84 HG23 THR 9 2HG2 THR 9 10.182 -8.364 2.531 85 H GLY 10 HN GLY 10 11.558 -11.094 -2.231 86 HA2 GLY 10 1HA GLY 10 10.299 -12.624 -3.359 87 HA3 GLY 10 2HA GLY 10 9.155 -12.559 -2.018 88 H LYS 11 HN LYS 11 7.143 -11.872 -2.602 89 HA LYS 11 HA LYS 11 6.614 -9.914 -4.703 90 HB2 LYS 11 2HB LYS 11 7.314 -12.034 -5.885 91 HB3 LYS 11 3HB LYS 11 5.922 -12.849 -5.178 92 HG2 LYS 11 2HG LYS 11 4.404 -11.589 -6.529 93 HG3 LYS 11 3HG LYS 11 5.620 -10.389 -6.952 94 HD2 LYS 11 2HD LYS 11 6.387 -13.160 -7.737 95 HD3 LYS 11 3HD LYS 11 4.864 -12.644 -8.439 96 HE2 LYS 11 2HE LYS 11 6.675 -12.123 -9.969 97 HE3 LYS 11 3HE LYS 11 5.906 -10.636 -9.400 98 HZ1 LYS 11 3HZ LYS 11 7.785 -10.390 -7.841 99 HZ2 LYS 11 1HZ LYS 11 8.539 -11.694 -8.488 100 HZ3 LYS 11 2HZ LYS 11 8.259 -10.351 -9.376 101 H THR 12 HN THR 12 5.673 -11.157 -1.735 102 HA THR 12 HA THR 12 2.943 -10.202 -2.022 103 HB THR 12 HB THR 12 3.214 -12.705 -2.703 104 HG1 THR 12 HG1 THR 12 1.237 -12.591 -2.642 105 HG21 THR 12 3HG2 THR 12 2.961 -13.101 0.305 106 HG22 THR 12 1HG2 THR 12 2.929 -14.331 -0.963 107 HG23 THR 12 2HG2 THR 12 4.417 -13.418 -0.661 108 H ILE 13 HN ILE 13 1.975 -10.821 0.507 109 HA ILE 13 HA ILE 13 3.928 -11.185 2.421 110 HB ILE 13 HB ILE 13 4.488 -8.764 2.024 111 HG12 ILE 13 2HG1 ILE 13 3.569 -9.206 4.873 112 HG13 ILE 13 3HG1 ILE 13 4.869 -10.163 4.157 113 HG21 ILE 13 1HG2 ILE 13 2.095 -7.963 1.739 114 HG22 ILE 13 2HG2 ILE 13 1.948 -8.055 3.505 115 HG23 ILE 13 3HG2 ILE 13 3.141 -6.974 2.774 116 HD11 ILE 13 3HD1 ILE 13 4.847 -7.146 4.470 117 HD12 ILE 13 1HD1 ILE 13 5.860 -8.331 5.321 118 HD13 ILE 13 2HD1 ILE 13 6.102 -8.064 3.589 119 H THR 14 HN THR 14 0.763 -10.035 1.681 120 HA THR 14 HA THR 14 -1.290 -10.604 2.355 121 HB THR 14 HB THR 14 -0.336 -12.011 4.864 122 HG1 THR 14 HG1 THR 14 -0.114 -12.810 2.211 123 HG21 THR 14 3HG2 THR 14 -2.742 -11.501 4.604 124 HG22 THR 14 1HG2 THR 14 -2.743 -12.263 2.994 125 HG23 THR 14 2HG2 THR 14 -2.458 -13.239 4.442 126 H LEU 15 HN LEU 15 -2.442 -8.953 3.070 127 HA LEU 15 HA LEU 15 -1.530 -7.369 5.393 128 HG LEU 15 HG LEU 15 -0.664 -4.427 3.156 129 HB2 LEU 15 2HB LEU 15 -0.472 -6.834 3.042 130 HB3 LEU 15 3HB LEU 15 -2.058 -6.262 2.628 131 HD11 LEU 15 1HD1 LEU 15 -1.917 -3.246 4.788 132 HD12 LEU 15 2HD1 LEU 15 -3.035 -4.325 3.962 133 HD13 LEU 15 3HD1 LEU 15 -2.457 -4.741 5.590 134 HD21 LEU 15 3HD2 LEU 15 0.993 -5.665 4.502 135 HD22 LEU 15 1HD2 LEU 15 0.461 -4.187 5.331 136 HD23 LEU 15 2HD2 LEU 15 -0.159 -5.745 5.856 137 H GLU 16 HN GLU 16 -3.303 -7.518 6.542 138 HA GLU 16 HA GLU 16 -6.002 -7.510 5.426 139 HB2 GLU 16 2HB GLU 16 -6.577 -7.345 7.910 140 HB3 GLU 16 3HB GLU 16 -5.925 -8.828 7.258 141 HG2 GLU 16 2HG GLU 16 -4.025 -6.833 8.527 142 HG3 GLU 16 3HG GLU 16 -5.022 -7.857 9.539 143 H VAL 17 HN VAL 17 -6.340 -5.635 4.375 144 HA VAL 17 HA VAL 17 -6.620 -3.261 6.092 145 HB VAL 17 HB VAL 17 -4.784 -2.714 4.702 146 HG11 VAL 17 1HG1 VAL 17 -5.009 -4.432 2.932 147 HG12 VAL 17 2HG1 VAL 17 -6.346 -3.519 2.234 148 HG13 VAL 17 3HG1 VAL 17 -4.715 -2.809 2.289 149 HG21 VAL 17 3HG2 VAL 17 -7.232 -1.526 3.359 150 HG22 VAL 17 1HG2 VAL 17 -6.632 -1.006 4.938 151 HG23 VAL 17 2HG2 VAL 17 -5.623 -0.822 3.487 152 H GLU 18 HN GLU 18 -8.488 -2.320 5.932 153 HA GLU 18 HA GLU 18 -10.722 -3.691 4.609 154 HB2 GLU 18 2HB GLU 18 -12.074 -2.142 6.125 155 HB3 GLU 18 3HB GLU 18 -11.166 -3.435 6.896 156 HG2 GLU 18 2HG GLU 18 -10.026 -0.610 6.674 157 HG3 GLU 18 3HG GLU 18 -11.104 -1.086 7.982 158 HA PRO 19 HA PRO 19 -11.453 -0.009 2.045 159 HB2 PRO 19 2HB PRO 19 -14.350 -0.356 2.560 160 HB3 PRO 19 3HB PRO 19 -13.468 -0.377 1.000 161 HG2 PRO 19 2HG PRO 19 -14.518 -2.646 2.131 162 HG3 PRO 19 3HG PRO 19 -12.974 -2.666 1.228 163 HD2 PRO 19 2HD PRO 19 -13.381 -2.405 4.220 164 HD3 PRO 19 3HD PRO 19 -12.332 -3.540 3.323 165 H SER 20 HN SER 20 -13.202 1.955 2.414 166 HA SER 20 HA SER 20 -13.716 3.819 3.577 167 HG SER 20 HG SER 20 -16.127 3.304 4.848 168 HB2 SER 20 2HB SER 20 -14.080 1.813 5.827 169 HB3 SER 20 3HB SER 20 -14.436 3.526 5.965 170 H ASP 21 HN ASP 21 -11.039 2.032 4.887 171 HA ASP 21 HA ASP 21 -9.972 3.812 6.678 172 HB2 ASP 21 2HB ASP 21 -9.428 1.330 5.694 173 HB3 ASP 21 3HB ASP 21 -8.198 2.240 4.822 174 H THR 22 HN THR 22 -7.562 4.868 6.103 175 HA THR 22 HA THR 22 -7.866 6.398 3.554 176 HB THR 22 HB THR 22 -6.754 8.294 4.479 177 HG1 THR 22 HG1 THR 22 -5.807 8.285 6.289 178 HG21 THR 22 3HG2 THR 22 -9.048 7.444 6.301 179 HG22 THR 22 1HG2 THR 22 -8.500 9.095 6.008 180 HG23 THR 22 2HG2 THR 22 -9.218 8.154 4.684 181 H ILE 23 HN ILE 23 -5.836 7.116 2.624 182 HA ILE 23 HA ILE 23 -4.214 4.838 2.188 183 HB ILE 23 HB ILE 23 -3.799 7.736 1.542 184 HG12 ILE 23 2HG1 ILE 23 -5.760 7.371 0.494 185 HG13 ILE 23 3HG1 ILE 23 -4.603 7.021 -0.766 186 HG21 ILE 23 1HG2 ILE 23 -2.452 5.373 0.243 187 HG22 ILE 23 2HG2 ILE 23 -2.333 7.071 -0.301 188 HG23 ILE 23 3HG2 ILE 23 -1.671 6.600 1.258 189 HD11 ILE 23 3HD1 ILE 23 -6.445 5.415 -0.776 190 HD12 ILE 23 1HD1 ILE 23 -4.924 4.578 -0.378 191 HD13 ILE 23 2HD1 ILE 23 -6.118 4.958 0.884 192 H GLU 24 HN GLU 24 -3.737 7.651 4.408 193 HA GLU 24 HA GLU 24 -1.052 7.034 5.055 194 HB2 GLU 24 2HB GLU 24 -2.143 9.121 5.680 195 HB3 GLU 24 3HB GLU 24 -3.137 8.256 6.894 196 HG2 GLU 24 2HG GLU 24 -1.236 7.737 8.211 197 HG3 GLU 24 3HG GLU 24 -0.114 8.017 6.896 198 H ASN 25 HN ASN 25 -4.117 5.588 6.140 199 HA ASN 25 HA ASN 25 -2.945 4.055 8.317 200 HB2 ASN 25 2HB ASN 25 -5.383 4.878 7.919 201 HB3 ASN 25 3HB ASN 25 -5.527 3.456 6.898 202 HD21 ASN 25 1HD2 ASN 25 -6.468 4.432 9.712 203 HD22 ASN 25 2HD2 ASN 25 -6.473 2.879 10.523 204 H VAL 26 HN VAL 26 -3.907 3.404 4.928 205 HA VAL 26 HA VAL 26 -3.157 0.642 4.987 206 HB VAL 26 HB VAL 26 -3.058 2.457 2.550 207 HG11 VAL 26 1HG1 VAL 26 -2.100 0.269 2.074 208 HG12 VAL 26 2HG1 VAL 26 -3.433 -0.561 2.886 209 HG13 VAL 26 3HG1 VAL 26 -3.695 0.316 1.360 210 HG21 VAL 26 3HG2 VAL 26 -5.401 1.318 4.020 211 HG22 VAL 26 1HG2 VAL 26 -5.137 2.864 3.208 212 HG23 VAL 26 2HG2 VAL 26 -5.434 1.433 2.236 213 H LYS 27 HN LYS 27 -1.214 3.602 4.030 214 HA LYS 27 HA LYS 27 1.098 2.000 3.543 215 HB2 LYS 27 2HB LYS 27 2.490 3.941 3.715 216 HB3 LYS 27 3HB LYS 27 1.166 4.185 2.637 217 HG2 LYS 27 2HG LYS 27 0.057 5.391 4.625 218 HG3 LYS 27 3HG LYS 27 1.668 5.434 5.332 219 HD2 LYS 27 2HD LYS 27 0.829 6.532 2.596 220 HD3 LYS 27 3HD LYS 27 1.115 7.522 4.025 221 HE2 LYS 27 2HE LYS 27 3.278 5.717 2.866 222 HE3 LYS 27 3HE LYS 27 2.997 7.329 2.230 223 HZ1 LYS 27 3HZ LYS 27 3.593 8.308 4.213 224 HZ2 LYS 27 1HZ LYS 27 3.426 6.974 5.113 225 HZ3 LYS 27 2HZ LYS 27 4.715 7.135 4.052 226 H ALA 28 HN ALA 28 -0.052 3.640 6.543 227 HA ALA 28 HA ALA 28 2.000 2.874 8.241 228 HB1 ALA 28 1HB ALA 28 0.206 4.384 8.849 229 HB2 ALA 28 2HB ALA 28 -0.965 3.036 8.838 230 HB3 ALA 28 3HB ALA 28 0.354 3.074 10.014 231 H LYS 29 HN LYS 29 -0.735 0.792 7.157 232 HA LYS 29 HA LYS 29 -0.160 -1.340 9.023 233 HB2 LYS 29 2HB LYS 29 -1.615 -1.102 6.390 234 HB3 LYS 29 3HB LYS 29 -1.050 -2.706 6.876 235 HG2 LYS 29 2HG LYS 29 -2.248 -2.701 8.898 236 HG3 LYS 29 3HG LYS 29 -2.632 -0.965 8.788 237 HD2 LYS 29 2HD LYS 29 -3.475 -2.796 6.530 238 HD3 LYS 29 3HD LYS 29 -4.357 -2.847 8.044 239 HE2 LYS 29 2HE LYS 29 -3.790 -0.122 6.914 240 HE3 LYS 29 3HE LYS 29 -4.999 -1.104 6.090 241 HZ1 LYS 29 3HZ LYS 29 -5.116 -0.217 8.891 242 HZ2 LYS 29 1HZ LYS 29 -6.016 0.276 7.668 243 HZ3 LYS 29 2HZ LYS 29 -6.255 -1.239 8.162 244 H ILE 30 HN ILE 30 0.826 -0.904 5.615 245 HA ILE 30 HA ILE 30 2.635 -3.110 5.735 246 HB ILE 30 HB ILE 30 3.731 -1.428 3.796 247 HG12 ILE 30 2HG1 ILE 30 1.643 0.051 3.927 248 HG13 ILE 30 3HG1 ILE 30 2.172 -0.536 2.382 249 HG21 ILE 30 1HG2 ILE 30 3.418 -3.790 3.718 250 HG22 ILE 30 2HG2 ILE 30 1.668 -3.602 3.541 251 HG23 ILE 30 3HG2 ILE 30 2.761 -3.010 2.282 252 HD11 ILE 30 3HD1 ILE 30 -0.106 -1.802 3.962 253 HD12 ILE 30 1HD1 ILE 30 -0.280 -0.603 2.663 254 HD13 ILE 30 2HD1 ILE 30 0.378 -2.177 2.292 255 H GLN 31 HN GLN 31 3.019 0.225 6.677 256 HA GLN 31 HA GLN 31 5.724 0.647 6.744 257 HB2 GLN 31 2HB GLN 31 3.887 2.207 7.436 258 HB3 GLN 31 3HB GLN 31 3.746 1.264 8.927 259 HG2 GLN 31 2HG GLN 31 6.253 1.848 9.272 260 HG3 GLN 31 3HG GLN 31 5.901 3.126 8.103 261 HE21 GLN 31 1HE2 GLN 31 5.721 2.175 11.464 262 HE22 GLN 31 2HE2 GLN 31 4.670 3.454 11.985 263 H ASP 32 HN ASP 32 3.676 -1.144 9.038 264 HA ASP 32 HA ASP 32 6.005 -1.954 10.654 265 HB2 ASP 32 2HB ASP 32 3.776 -0.800 11.447 266 HB3 ASP 32 3HB ASP 32 3.115 -2.432 11.347 267 H LYS 33 HN LYS 33 3.985 -3.186 8.183 268 HA LYS 33 HA LYS 33 4.120 -5.982 9.037 269 HB2 LYS 33 2HB LYS 33 2.275 -4.676 7.521 270 HB3 LYS 33 3HB LYS 33 3.321 -5.260 6.232 271 HG2 LYS 33 2HG LYS 33 1.682 -6.934 6.488 272 HG3 LYS 33 3HG LYS 33 3.079 -7.607 7.321 273 HD2 LYS 33 2HD LYS 33 2.161 -7.057 9.483 274 HD3 LYS 33 3HD LYS 33 0.914 -6.015 8.780 275 HE2 LYS 33 2HE LYS 33 -0.253 -7.893 7.801 276 HE3 LYS 33 3HE LYS 33 1.069 -8.996 8.230 277 HZ1 LYS 33 3HZ LYS 33 -0.546 -7.541 10.232 278 HZ2 LYS 33 1HZ LYS 33 -0.826 -9.080 9.779 279 HZ3 LYS 33 2HZ LYS 33 0.599 -8.720 10.500 280 H GLU 34 HN GLU 34 5.829 -3.936 6.642 281 HA GLU 34 HA GLU 34 7.574 -6.297 6.065 282 HB2 GLU 34 2HB GLU 34 8.200 -5.333 4.003 283 HB3 GLU 34 3HB GLU 34 6.451 -5.335 4.048 284 HG2 GLU 34 2HG GLU 34 6.286 -3.041 4.074 285 HG3 GLU 34 3HG GLU 34 7.789 -2.823 4.976 286 H GLY 35 HN GLY 35 7.495 -3.890 8.204 287 HA2 GLY 35 1HA GLY 35 8.982 -2.539 9.294 288 HA3 GLY 35 2HA GLY 35 10.235 -3.683 8.783 289 H ILE 36 HN ILE 36 8.231 -0.957 7.551 290 HA ILE 36 HA ILE 36 10.605 0.151 6.193 291 HB ILE 36 HB ILE 36 9.237 -0.968 4.493 292 HG12 ILE 36 2HG1 ILE 36 9.620 2.003 4.515 293 HG13 ILE 36 3HG1 ILE 36 10.422 0.744 3.584 294 HG21 ILE 36 1HG2 ILE 36 7.022 -0.778 5.658 295 HG22 ILE 36 2HG2 ILE 36 6.969 0.899 5.070 296 HG23 ILE 36 3HG2 ILE 36 7.015 -0.460 3.927 297 HD11 ILE 36 3HD1 ILE 36 9.080 2.099 2.106 298 HD12 ILE 36 1HD1 ILE 36 8.309 0.504 2.226 299 HD13 ILE 36 2HD1 ILE 36 7.656 1.895 3.110 300 HA PRO 37 HA PRO 37 8.832 3.419 8.826 301 HB2 PRO 37 2HB PRO 37 10.648 5.418 7.900 302 HB3 PRO 37 3HB PRO 37 10.719 4.476 9.412 303 HG2 PRO 37 2HG PRO 37 12.330 4.144 6.964 304 HG3 PRO 37 3HG PRO 37 12.633 3.521 8.600 305 HD2 PRO 37 2HD PRO 37 11.696 2.077 6.336 306 HD3 PRO 37 3HD PRO 37 11.755 1.491 8.023 307 HA PRO 38 HA PRO 38 6.189 4.833 5.696 308 HB2 PRO 38 2HB PRO 38 5.055 7.122 6.680 309 HB3 PRO 38 3HB PRO 38 4.762 5.498 7.386 310 HG2 PRO 38 2HG PRO 38 6.719 7.635 8.278 311 HG3 PRO 38 3HG PRO 38 5.569 6.709 9.276 312 HD2 PRO 38 2HD PRO 38 8.210 5.996 9.045 313 HD3 PRO 38 3HD PRO 38 6.936 4.776 9.204 314 H ASP 39 HN ASP 39 8.798 6.813 6.536 315 HA ASP 39 HA ASP 39 8.602 9.216 5.263 316 HB2 ASP 39 2HB ASP 39 10.247 8.140 6.937 317 HB3 ASP 39 3HB ASP 39 11.124 7.562 5.537 318 H GLN 40 HN GLN 40 9.565 6.096 3.849 319 HA GLN 40 HA GLN 40 9.836 7.337 1.163 320 HB2 GLN 40 2HB GLN 40 11.082 4.791 2.225 321 HB3 GLN 40 3HB GLN 40 11.324 5.467 0.618 322 HG2 GLN 40 2HG GLN 40 12.516 7.382 1.494 323 HG3 GLN 40 3HG GLN 40 12.136 6.931 3.156 324 HE21 GLN 40 1HE2 GLN 40 14.385 6.828 3.730 325 HE22 GLN 40 2HE2 GLN 40 15.375 5.457 3.227 326 H GLN 41 HN GLN 41 7.439 5.930 2.757 327 HA GLN 41 HA GLN 41 7.049 3.520 1.232 328 HB2 GLN 41 2HB GLN 41 6.560 3.886 3.630 329 HB3 GLN 41 3HB GLN 41 5.192 4.915 3.190 330 HG2 GLN 41 2HG GLN 41 4.038 3.066 2.165 331 HG3 GLN 41 3HG GLN 41 5.508 2.082 2.136 332 HE21 GLN 41 1HE2 GLN 41 4.770 0.349 3.399 333 HE22 GLN 41 2HE2 GLN 41 4.271 0.638 5.075 334 H ARG 42 HN ARG 42 6.767 3.904 -0.892 335 HA ARG 42 HA ARG 42 4.738 5.846 -1.838 336 HE ARG 42 HE ARG 42 5.927 8.873 -3.989 337 HB2 ARG 42 2HB ARG 42 6.764 4.022 -3.117 338 HB3 ARG 42 3HB ARG 42 5.277 4.267 -4.027 339 HG2 ARG 42 2HG ARG 42 6.939 6.578 -3.009 340 HG3 ARG 42 3HG ARG 42 7.187 5.836 -4.596 341 HD2 ARG 42 2HD ARG 42 4.879 6.402 -5.254 342 HD3 ARG 42 3HD ARG 42 4.545 7.046 -3.647 343 HH11 ARG 42 2HH2 ARG 42 5.635 6.962 -7.025 344 HH12 ARG 42 1HH2 ARG 42 6.095 8.288 -8.026 345 HH21 ARG 42 2HH1 ARG 42 6.552 10.587 -5.372 346 HH22 ARG 42 1HH1 ARG 42 6.673 10.402 -7.060 347 H LEU 43 HN LEU 43 2.707 5.312 -1.608 348 HA LEU 43 HA LEU 43 1.826 2.489 -1.833 349 HG LEU 43 HG LEU 43 -0.538 2.125 -0.720 350 HB2 LEU 43 2HB LEU 43 1.376 4.276 0.260 351 HB3 LEU 43 3HB LEU 43 -0.014 4.597 -0.759 352 HD11 LEU 43 1HD1 LEU 43 1.745 2.208 1.326 353 HD12 LEU 43 2HD1 LEU 43 0.616 0.852 1.142 354 HD13 LEU 43 3HD1 LEU 43 1.731 1.265 -0.157 355 HD21 LEU 43 3HD2 LEU 43 -1.047 2.246 1.802 356 HD22 LEU 43 1HD2 LEU 43 -0.614 3.961 1.612 357 HD23 LEU 43 2HD2 LEU 43 -1.884 3.252 0.639 358 H ILE 44 HN ILE 44 1.090 2.174 -3.946 359 HA ILE 44 HA ILE 44 -0.843 4.017 -5.103 360 HB ILE 44 HB ILE 44 1.490 4.828 -5.761 361 HG12 ILE 44 2HG1 ILE 44 -0.860 4.809 -7.149 362 HG13 ILE 44 3HG1 ILE 44 0.574 5.696 -7.584 363 HG21 ILE 44 1HG2 ILE 44 2.572 2.616 -5.924 364 HG22 ILE 44 2HG2 ILE 44 1.613 2.221 -7.367 365 HG23 ILE 44 3HG2 ILE 44 2.771 3.564 -7.407 366 HD11 ILE 44 3HD1 ILE 44 -0.381 4.590 -9.483 367 HD12 ILE 44 1HD1 ILE 44 1.235 3.974 -9.202 368 HD13 ILE 44 2HD1 ILE 44 -0.178 2.996 -8.749 369 H PHE 45 HN PHE 45 -2.104 2.904 -6.738 370 HA PHE 45 HA PHE 45 -1.304 0.229 -7.491 371 HD1 PHE 45 HD2 PHE 45 -1.756 1.866 -3.836 372 HD2 PHE 45 HD1 PHE 45 -5.101 -0.486 -5.159 373 HE1 PHE 45 HE2 PHE 45 -3.002 2.531 -1.873 374 HE2 PHE 45 HE1 PHE 45 -6.208 -0.033 -3.001 375 HZ PHE 45 HZ PHE 45 -5.203 1.521 -1.389 376 HB2 PHE 45 2HB PHE 45 -3.221 -0.822 -6.252 377 HB3 PHE 45 3HB PHE 45 -1.769 -0.499 -5.424 378 H ALA 46 HN ALA 46 -2.692 2.839 -8.648 379 HA ALA 46 HA ALA 46 -4.139 1.224 -10.613 380 HB1 ALA 46 1HB ALA 46 -5.496 3.553 -9.214 381 HB2 ALA 46 2HB ALA 46 -6.103 2.718 -10.661 382 HB3 ALA 46 3HB ALA 46 -5.971 1.852 -9.141 383 H GLY 47 HN GLY 47 -1.573 2.697 -10.572 384 HA2 GLY 47 1HA GLY 47 -0.340 3.913 -12.043 385 HA3 GLY 47 2HA GLY 47 -1.792 4.149 -13.025 386 H LYS 48 HN LYS 48 -3.243 5.474 -10.839 387 HA LYS 48 HA LYS 48 -2.403 8.168 -11.272 388 HB2 LYS 48 2HB LYS 48 -4.297 8.679 -9.654 389 HB3 LYS 48 3HB LYS 48 -4.696 7.774 -11.094 390 HG2 LYS 48 2HG LYS 48 -5.984 6.712 -9.537 391 HG3 LYS 48 3HG LYS 48 -4.638 5.631 -9.697 392 HD2 LYS 48 2HD LYS 48 -4.960 5.542 -7.441 393 HD3 LYS 48 3HD LYS 48 -3.764 6.841 -7.463 394 HE2 LYS 48 2HE LYS 48 -6.778 7.062 -7.194 395 HE3 LYS 48 3HE LYS 48 -5.577 7.445 -5.969 396 HZ1 LYS 48 3HZ LYS 48 -5.950 8.952 -8.482 397 HZ2 LYS 48 1HZ LYS 48 -6.527 9.404 -7.033 398 HZ3 LYS 48 2HZ LYS 48 -4.921 9.352 -7.251 399 H GLN 49 HN GLN 49 -1.524 9.698 -9.819 400 HA GLN 49 HA GLN 49 -0.001 8.896 -7.483 401 HB2 GLN 49 2HB GLN 49 -1.086 11.539 -8.543 402 HB3 GLN 49 3HB GLN 49 -0.427 11.410 -6.913 403 HG2 GLN 49 2HG GLN 49 1.697 10.547 -7.797 404 HG3 GLN 49 3HG GLN 49 1.092 10.701 -9.451 405 HE21 GLN 49 1HE2 GLN 49 2.188 12.519 -10.371 406 HE22 GLN 49 2HE2 GLN 49 2.416 14.020 -9.521 407 H LEU 50 HN LEU 50 -0.711 8.741 -5.375 408 HA LEU 50 HA LEU 50 -3.627 8.185 -5.165 409 HG LEU 50 HG LEU 50 -3.738 6.742 -2.888 410 HB2 LEU 50 2HB LEU 50 -1.918 6.292 -5.244 411 HB3 LEU 50 3HB LEU 50 -1.207 6.957 -3.789 412 HD11 LEU 50 1HD1 LEU 50 -4.712 5.878 -4.968 413 HD12 LEU 50 2HD1 LEU 50 -3.499 4.583 -5.043 414 HD13 LEU 50 3HD1 LEU 50 -4.712 4.591 -3.755 415 HD21 LEU 50 3HD2 LEU 50 -3.138 4.691 -1.850 416 HD22 LEU 50 1HD2 LEU 50 -1.938 4.314 -3.116 417 HD23 LEU 50 2HD2 LEU 50 -1.666 5.659 -1.999 418 H GLU 51 HN GLU 51 -4.273 10.261 -4.265 419 HA GLU 51 HA GLU 51 -2.724 11.701 -2.437 420 HB2 GLU 51 2HB GLU 51 -5.631 11.747 -3.167 421 HB3 GLU 51 3HB GLU 51 -5.208 12.387 -1.581 422 HG2 GLU 51 2HG GLU 51 -3.461 13.844 -2.731 423 HG3 GLU 51 3HG GLU 51 -4.187 13.338 -4.269 424 H ASP 52 HN ASP 52 -2.259 11.551 -0.413 425 HA ASP 52 HA ASP 52 -2.526 9.160 1.064 426 HB2 ASP 52 2HB ASP 52 -1.572 11.862 2.025 427 HB3 ASP 52 3HB ASP 52 -1.239 10.298 2.772 428 H GLY 53 HN GLY 53 -4.074 12.296 1.166 429 HA2 GLY 53 1HA GLY 53 -5.853 11.612 3.454 430 HA3 GLY 53 2HA GLY 53 -5.652 13.198 2.696 431 H ARG 54 HN ARG 54 -6.307 9.916 1.275 432 HA ARG 54 HA ARG 54 -8.982 10.899 0.493 433 HE ARG 54 HE ARG 54 -11.733 11.623 -1.506 434 HB2 ARG 54 2HB ARG 54 -7.203 10.851 -1.456 435 HB3 ARG 54 3HB ARG 54 -7.395 9.099 -1.348 436 HG2 ARG 54 2HG ARG 54 -8.847 9.922 -3.101 437 HG3 ARG 54 3HG ARG 54 -9.878 9.432 -1.793 438 HD2 ARG 54 2HD ARG 54 -9.552 12.060 -1.135 439 HD3 ARG 54 3HD ARG 54 -9.209 12.165 -2.860 440 HH11 ARG 54 2HH2 ARG 54 -10.129 11.397 -4.740 441 HH12 ARG 54 1HH2 ARG 54 -11.293 10.166 -5.194 442 HH21 ARG 54 2HH1 ARG 54 -13.640 10.945 -2.691 443 HH22 ARG 54 1HH1 ARG 54 -13.514 10.778 -4.415 444 H THR 55 HN THR 55 -10.384 8.922 -0.175 445 HA THR 55 HA THR 55 -10.188 7.109 2.116 446 HB THR 55 HB THR 55 -12.512 7.607 0.189 447 HG1 THR 55 HG1 THR 55 -13.165 9.009 2.002 448 HG21 THR 55 3HG2 THR 55 -13.882 6.947 2.171 449 HG22 THR 55 1HG2 THR 55 -12.802 5.638 1.690 450 HG23 THR 55 2HG2 THR 55 -12.400 6.634 3.098 451 H LEU 56 HN LEU 56 -10.058 4.989 1.946 452 HA LEU 56 HA LEU 56 -9.199 3.384 -0.140 453 HG LEU 56 HG LEU 56 -9.225 1.673 3.114 454 HB2 LEU 56 2HB LEU 56 -10.804 3.086 2.382 455 HB3 LEU 56 3HB LEU 56 -10.918 1.761 1.247 456 HD11 LEU 56 1HD1 LEU 56 -8.407 1.005 0.293 457 HD12 LEU 56 2HD1 LEU 56 -7.713 0.322 1.777 458 HD13 LEU 56 3HD1 LEU 56 -9.397 0.002 1.392 459 HD21 LEU 56 3HD2 LEU 56 -7.217 2.904 1.240 460 HD22 LEU 56 1HD2 LEU 56 -8.165 4.019 2.238 461 HD23 LEU 56 2HD2 LEU 56 -7.243 2.794 3.015 462 H SER 57 HN SER 57 -12.522 4.020 0.858 463 HA SER 57 HA SER 57 -13.841 2.241 -0.856 464 HG SER 57 HG SER 57 -16.084 2.275 -0.053 465 HB2 SER 57 2HB SER 57 -14.633 3.444 1.269 466 HB3 SER 57 3HB SER 57 -14.929 4.865 0.255 467 H ASP 58 HN ASP 58 -12.330 5.269 -1.723 468 HA ASP 58 HA ASP 58 -14.140 5.681 -4.003 469 HB2 ASP 58 2HB ASP 58 -13.415 7.685 -2.864 470 HB3 ASP 58 3HB ASP 58 -11.709 7.240 -3.047 471 H TYR 59 HN TYR 59 -10.601 5.267 -3.514 472 HA TYR 59 HA TYR 59 -10.104 4.746 -6.254 473 HD1 TYR 59 HD2 TYR 59 -9.266 6.733 -6.034 474 HD2 TYR 59 HD1 TYR 59 -6.891 5.017 -2.862 475 HE1 TYR 59 HE2 TYR 59 -8.320 8.934 -5.572 476 HE2 TYR 59 HE1 TYR 59 -5.902 7.247 -2.417 477 HH TYR 59 HH TYR 59 -5.859 9.456 -3.011 478 HB2 TYR 59 2HB TYR 59 -8.517 3.696 -3.879 479 HB3 TYR 59 3HB TYR 59 -7.951 3.863 -5.547 480 H ASN 60 HN ASN 60 -10.416 2.558 -3.543 481 HA ASN 60 HA ASN 60 -11.435 0.706 -3.168 482 HB2 ASN 60 2HB ASN 60 -13.113 2.296 -4.180 483 HB3 ASN 60 3HB ASN 60 -13.095 1.271 -5.600 484 HD21 ASN 60 1HD2 ASN 60 -15.424 1.346 -4.799 485 HD22 ASN 60 2HD2 ASN 60 -15.897 -0.006 -3.755 486 H ILE 61 HN ILE 61 -11.820 -1.489 -3.547 487 HA ILE 61 HA ILE 61 -10.240 -2.809 -5.575 488 HB ILE 61 HB ILE 61 -8.406 -3.228 -4.099 489 HG12 ILE 61 2HG1 ILE 61 -9.190 -2.918 -1.857 490 HG13 ILE 61 3HG1 ILE 61 -7.880 -1.806 -2.111 491 HG21 ILE 61 1HG2 ILE 61 -8.426 -0.241 -4.430 492 HG22 ILE 61 2HG2 ILE 61 -7.068 -1.367 -4.400 493 HG23 ILE 61 3HG2 ILE 61 -8.178 -1.425 -5.745 494 HD11 ILE 61 3HD1 ILE 61 -9.470 0.092 -2.339 495 HD12 ILE 61 1HD1 ILE 61 -10.790 -1.059 -1.871 496 HD13 ILE 61 2HD1 ILE 61 -9.470 -0.745 -0.770 497 H GLN 62 HN GLN 62 -9.974 -4.989 -5.059 498 HA GLN 62 HA GLN 62 -10.925 -6.255 -2.614 499 HB2 GLN 62 2HB GLN 62 -12.786 -7.400 -4.093 500 HB3 GLN 62 3HB GLN 62 -13.099 -5.845 -3.297 501 HG2 GLN 62 2HG GLN 62 -12.929 -4.590 -5.294 502 HG3 GLN 62 3HG GLN 62 -12.104 -5.887 -6.154 503 HE21 GLN 62 1HE2 GLN 62 -13.625 -5.651 -7.832 504 HE22 GLN 62 2HE2 GLN 62 -15.197 -6.388 -7.746 505 H LYS 63 HN LYS 63 -9.282 -7.722 -2.614 506 HA LYS 63 HA LYS 63 -7.631 -9.137 -3.215 507 HB2 LYS 63 2HB LYS 63 -9.670 -10.384 -4.106 508 HB3 LYS 63 3HB LYS 63 -9.197 -9.788 -5.707 509 HG2 LYS 63 2HG LYS 63 -6.857 -10.907 -5.001 510 HG3 LYS 63 3HG LYS 63 -7.904 -11.845 -3.953 511 HD2 LYS 63 2HD LYS 63 -7.856 -11.704 -6.970 512 HD3 LYS 63 3HD LYS 63 -7.594 -13.074 -5.939 513 HE2 LYS 63 2HE LYS 63 -9.638 -13.547 -6.877 514 HE3 LYS 63 3HE LYS 63 -10.089 -12.944 -5.280 515 HZ1 LYS 63 3HZ LYS 63 -11.238 -12.097 -7.490 516 HZ2 LYS 63 1HZ LYS 63 -11.017 -11.063 -6.237 517 HZ3 LYS 63 2HZ LYS 63 -10.007 -11.102 -7.578 518 H GLU 64 HN GLU 64 -8.709 -7.438 -6.204 519 HA GLU 64 HA GLU 64 -6.260 -7.577 -7.560 520 HB2 GLU 64 2HB GLU 64 -8.392 -5.427 -7.788 521 HB3 GLU 64 3HB GLU 64 -7.181 -5.867 -9.015 522 HG2 GLU 64 2HG GLU 64 -8.212 -8.309 -8.645 523 HG3 GLU 64 3HG GLU 64 -9.621 -7.404 -8.099 524 H SER 65 HN SER 65 -7.171 -5.620 -4.946 525 HA SER 65 HA SER 65 -6.160 -3.167 -5.094 526 HG SER 65 HG SER 65 -4.923 -2.737 -2.763 527 HB2 SER 65 2HB SER 65 -7.199 -4.432 -3.056 528 HB3 SER 65 3HB SER 65 -5.608 -5.063 -2.780 529 H THR 66 HN THR 66 -4.193 -6.000 -4.268 530 HA THR 66 HA THR 66 -2.005 -6.161 -3.752 531 HB THR 66 HB THR 66 -1.882 -5.625 -6.711 532 HG1 THR 66 HG1 THR 66 -3.715 -6.627 -6.581 533 HG21 THR 66 3HG2 THR 66 -0.641 -7.748 -4.915 534 HG22 THR 66 1HG2 THR 66 -0.601 -7.790 -6.681 535 HG23 THR 66 2HG2 THR 66 0.186 -6.466 -5.798 536 H LEU 67 HN LEU 67 -1.209 -4.446 -2.468 537 HA LEU 67 HA LEU 67 -0.809 -1.967 -3.676 538 HG LEU 67 HG LEU 67 -0.062 -0.587 -0.435 539 HB2 LEU 67 2HB LEU 67 -0.796 -2.879 -1.084 540 HB3 LEU 67 3HB LEU 67 0.898 -2.538 -1.293 541 HD11 LEU 67 1HD1 LEU 67 -0.070 -0.048 -3.437 542 HD12 LEU 67 2HD1 LEU 67 0.345 1.052 -2.182 543 HD13 LEU 67 3HD1 LEU 67 1.416 -0.289 -2.513 544 HD21 LEU 67 3HD2 LEU 67 -2.101 0.386 -1.214 545 HD22 LEU 67 1HD2 LEU 67 -2.236 -0.754 -2.586 546 HD23 LEU 67 2HD2 LEU 67 -2.418 -1.297 -0.911 547 H HIS 68 HN HIS 68 0.743 -1.155 -5.070 548 HA HIS 68 HA HIS 68 2.909 -2.962 -5.843 549 HD1 HIS 68 HD1 HIS 68 0.219 -3.309 -6.899 550 HD2 HIS 68 HD2 HIS 68 1.043 0.187 -9.055 551 HE1 HIS 68 HE1 HIS 68 -1.562 -3.157 -8.687 552 HB2 HIS 68 2HB HIS 68 2.306 -0.152 -6.858 553 HB3 HIS 68 3HB HIS 68 3.200 -1.433 -7.660 554 H LEU 69 HN LEU 69 3.896 -2.497 -3.412 555 HA LEU 69 HA LEU 69 4.721 0.112 -2.677 556 HG LEU 69 HG LEU 69 4.811 -2.224 0.189 557 HB2 LEU 69 2HB LEU 69 5.605 -2.643 -1.914 558 HB3 LEU 69 3HB LEU 69 6.627 -1.309 -1.459 559 HD11 LEU 69 1HD1 LEU 69 4.530 -0.020 1.266 560 HD12 LEU 69 2HD1 LEU 69 6.197 -0.328 0.796 561 HD13 LEU 69 3HD1 LEU 69 5.196 0.773 -0.181 562 HD21 LEU 69 3HD2 LEU 69 3.151 -0.069 -1.128 563 HD22 LEU 69 1HD2 LEU 69 2.938 -1.774 -1.505 564 HD23 LEU 69 2HD2 LEU 69 2.668 -1.208 0.155 565 H VAL 70 HN VAL 70 6.090 1.541 -3.579 566 HA VAL 70 HA VAL 70 7.935 0.513 -5.685 567 HB VAL 70 HB VAL 70 6.729 3.295 -5.526 568 HG11 VAL 70 1HG1 VAL 70 8.333 1.854 -7.663 569 HG12 VAL 70 2HG1 VAL 70 7.521 3.423 -7.877 570 HG13 VAL 70 3HG1 VAL 70 8.848 3.262 -6.719 571 HG21 VAL 70 3HG2 VAL 70 4.861 2.029 -6.082 572 HG22 VAL 70 1HG2 VAL 70 5.471 2.596 -7.620 573 HG23 VAL 70 2HG2 VAL 70 5.797 0.923 -7.134 574 H LEU 71 HN LEU 71 9.509 0.040 -3.988 575 HA LEU 71 HA LEU 71 11.301 2.302 -3.712 576 HG LEU 71 HG LEU 71 12.782 1.666 -1.157 577 HB2 LEU 71 2HB LEU 71 9.862 2.224 -1.635 578 HB3 LEU 71 3HB LEU 71 10.521 0.601 -1.309 579 HD11 LEU 71 1HD1 LEU 71 12.523 3.669 -2.541 580 HD12 LEU 71 2HD1 LEU 71 11.216 4.254 -1.492 581 HD13 LEU 71 3HD1 LEU 71 12.892 4.160 -0.893 582 HD21 LEU 71 3HD2 LEU 71 11.379 1.269 0.835 583 HD22 LEU 71 1HD2 LEU 71 12.318 2.752 1.028 584 HD23 LEU 71 2HD2 LEU 71 10.606 2.861 0.601 585 H ARG 72 HN ARG 72 13.389 1.505 -4.122 586 HA ARG 72 HA ARG 72 13.508 -1.445 -4.621 587 HE ARG 72 HE ARG 72 16.690 -1.601 -7.660 588 HB2 ARG 72 2HB ARG 72 12.925 0.238 -6.618 589 HB3 ARG 72 3HB ARG 72 14.648 0.555 -6.580 590 HG2 ARG 72 2HG ARG 72 14.709 -2.177 -6.584 591 HG3 ARG 72 3HG ARG 72 13.128 -1.936 -7.339 592 HD2 ARG 72 2HD ARG 72 14.693 -2.086 -9.120 593 HD3 ARG 72 3HD ARG 72 14.300 -0.366 -8.995 594 HH11 ARG 72 2HH2 ARG 72 15.513 0.974 -9.872 595 HH12 ARG 72 1HH2 ARG 72 17.088 1.683 -9.981 596 HH21 ARG 72 2HH1 ARG 72 18.625 -0.631 -7.795 597 HH22 ARG 72 1HH1 ARG 72 18.896 0.784 -8.792 598 H LEU 73 HN LEU 73 15.364 1.577 -4.322 599 HA LEU 73 HA LEU 73 16.985 0.447 -2.361 600 HG LEU 73 HG LEU 73 20.138 -0.744 -3.713 601 HB2 LEU 73 2HB LEU 73 18.087 -0.216 -4.871 602 HB3 LEU 73 3HB LEU 73 18.953 1.211 -4.448 603 HD11 LEU 73 1HD1 LEU 73 19.008 0.625 -1.233 604 HD12 LEU 73 2HD1 LEU 73 20.561 -0.210 -1.405 605 HD13 LEU 73 3HD1 LEU 73 20.284 1.294 -2.294 606 HD21 LEU 73 3HD2 LEU 73 18.187 -2.284 -3.391 607 HD22 LEU 73 1HD2 LEU 73 19.349 -2.315 -2.066 608 HD23 LEU 73 2HD2 LEU 73 17.807 -1.466 -1.863 609 H ARG 74 HN ARG 74 16.832 2.297 -1.128 610 HA ARG 74 HA ARG 74 16.172 4.776 -2.235 611 HE ARG 74 HE ARG 74 16.536 6.700 -2.436 612 HB2 ARG 74 2HB ARG 74 15.797 4.237 0.111 613 HB3 ARG 74 3HB ARG 74 17.527 4.286 0.444 614 HG2 ARG 74 2HG ARG 74 16.435 6.312 1.220 615 HG3 ARG 74 3HG ARG 74 17.605 6.698 -0.023 616 HD2 ARG 74 2HD ARG 74 14.639 6.416 -0.659 617 HD3 ARG 74 3HD ARG 74 15.322 7.910 -0.011 618 HH11 ARG 74 2HH2 ARG 74 14.716 9.484 -1.167 619 HH12 ARG 74 1HH2 ARG 74 15.145 10.492 -2.492 620 HH21 ARG 74 2HH1 ARG 74 17.033 8.029 -4.198 621 HH22 ARG 74 1HH1 ARG 74 16.544 9.684 -4.157 622 H GLY 75 HN GLY 75 19.411 3.653 -1.150 623 HA2 GLY 75 1HA GLY 75 20.662 4.816 -3.428 624 HA3 GLY 75 2HA GLY 75 20.955 5.870 -2.012 625 H GLY 76 HN GLY 76 21.091 4.080 0.042 626 HA2 GLY 76 1HA GLY 76 22.449 1.649 -0.746 627 HA3 GLY 76 2HA GLY 76 22.914 2.451 0.762 Start of MODEL 4 1 HA MET 1 HA MET 1 -10.719 -8.564 2.948 2 H1 MET 1 HN MET 1 -10.888 -7.273 5.599 3 HB2 MET 1 2HB MET 1 -12.004 -6.568 2.741 4 HB3 MET 1 3HB MET 1 -10.869 -5.628 3.694 5 HG2 MET 1 2HG MET 1 -9.181 -5.810 1.875 6 HG3 MET 1 3HG MET 1 -10.267 -6.906 0.996 7 HE1 MET 1 3HE MET 1 -9.095 -3.299 1.378 8 HE2 MET 1 1HE MET 1 -10.572 -2.311 1.203 9 HE3 MET 1 2HE MET 1 -10.309 -3.264 2.669 10 H GLN 2 HN GLN 2 -8.688 -8.751 2.006 11 HA GLN 2 HA GLN 2 -6.442 -7.400 3.248 12 HB2 GLN 2 2HB GLN 2 -5.116 -9.610 3.188 13 HB3 GLN 2 3HB GLN 2 -6.168 -9.345 4.562 14 HG2 GLN 2 2HG GLN 2 -7.165 -10.944 2.194 15 HG3 GLN 2 3HG GLN 2 -6.121 -11.670 3.419 16 HE21 GLN 2 1HE2 GLN 2 -9.403 -10.918 2.681 17 HE22 GLN 2 2HE2 GLN 2 -10.013 -11.497 4.206 18 H ILE 3 HN ILE 3 -4.582 -7.462 1.881 19 HA ILE 3 HA ILE 3 -5.140 -8.100 -0.938 20 HB ILE 3 HB ILE 3 -4.718 -6.084 -1.747 21 HG12 ILE 3 2HG1 ILE 3 -2.645 -5.577 -0.090 22 HG13 ILE 3 3HG1 ILE 3 -3.315 -4.500 -1.291 23 HG21 ILE 3 1HG2 ILE 3 -6.841 -6.109 -0.626 24 HG22 ILE 3 2HG2 ILE 3 -6.164 -5.328 0.813 25 HG23 ILE 3 3HG2 ILE 3 -6.227 -4.456 -0.725 26 HD11 ILE 3 3HD1 ILE 3 -4.549 -3.292 0.433 27 HD12 ILE 3 1HD1 ILE 3 -4.001 -4.484 1.643 28 HD13 ILE 3 2HD1 ILE 3 -2.834 -3.409 0.843 29 H PHE 4 HN PHE 4 -3.094 -7.764 -2.235 30 HA PHE 4 HA PHE 4 -0.753 -8.931 -0.824 31 HD1 PHE 4 HD2 PHE 4 -1.365 -11.075 -0.951 32 HD2 PHE 4 HD1 PHE 4 -2.713 -9.986 -4.929 33 HE1 PHE 4 HE2 PHE 4 -3.104 -12.819 -0.836 34 HE2 PHE 4 HE1 PHE 4 -4.395 -11.811 -4.823 35 HZ PHE 4 HZ PHE 4 -4.616 -13.190 -2.783 36 HB2 PHE 4 2HB PHE 4 -1.197 -8.580 -3.794 37 HB3 PHE 4 3HB PHE 4 0.028 -9.548 -2.999 38 H VAL 5 HN VAL 5 1.393 -8.082 -1.803 39 HA VAL 5 HA VAL 5 1.405 -5.291 -2.606 40 HB VAL 5 HB VAL 5 1.773 -6.161 0.177 41 HG11 VAL 5 1HG1 VAL 5 3.762 -4.796 0.716 42 HG12 VAL 5 2HG1 VAL 5 4.155 -6.218 -0.258 43 HG13 VAL 5 3HG1 VAL 5 4.079 -4.643 -1.027 44 HG21 VAL 5 3HG2 VAL 5 0.428 -4.183 -0.784 45 HG22 VAL 5 1HG2 VAL 5 1.243 -4.067 0.758 46 HG23 VAL 5 2HG2 VAL 5 1.978 -3.319 -0.680 47 H LYS 6 HN LYS 6 3.478 -4.784 -3.472 48 HA LYS 6 HA LYS 6 5.282 -7.095 -4.053 49 HB2 LYS 6 2HB LYS 6 4.277 -4.961 -5.986 50 HB3 LYS 6 3HB LYS 6 5.495 -6.164 -6.363 51 HG2 LYS 6 2HG LYS 6 2.598 -6.850 -5.606 52 HG3 LYS 6 3HG LYS 6 3.181 -6.593 -7.245 53 HD2 LYS 6 2HD LYS 6 4.909 -8.438 -6.821 54 HD3 LYS 6 3HD LYS 6 3.978 -8.832 -5.356 55 HE2 LYS 6 2HE LYS 6 1.945 -9.194 -6.731 56 HE3 LYS 6 3HE LYS 6 2.810 -8.627 -8.167 57 HZ1 LYS 6 3HZ LYS 6 3.090 -11.191 -6.800 58 HZ2 LYS 6 1HZ LYS 6 2.929 -10.853 -8.391 59 HZ3 LYS 6 2HZ LYS 6 4.368 -10.595 -7.666 60 H THR 7 HN THR 7 7.118 -6.613 -3.011 61 HA THR 7 HA THR 7 7.574 -3.977 -1.970 62 HB THR 7 HB THR 7 9.241 -5.334 -0.614 63 HG1 THR 7 HG1 THR 7 9.661 -6.921 -2.148 64 HG21 THR 7 3HG2 THR 7 6.424 -6.522 -0.739 65 HG22 THR 7 1HG2 THR 7 7.548 -6.564 0.629 66 HG23 THR 7 2HG2 THR 7 6.870 -5.020 0.108 67 H LEU 8 HN LEU 8 8.118 -3.617 -4.621 68 HA LEU 8 HA LEU 8 9.622 -3.082 -6.203 69 HG LEU 8 HG LEU 8 12.741 -1.300 -5.334 70 HB2 LEU 8 2HB LEU 8 10.917 -2.147 -4.029 71 HB3 LEU 8 3HB LEU 8 12.046 -3.406 -4.458 72 HD11 LEU 8 1HD1 LEU 8 13.236 -3.230 -6.775 73 HD12 LEU 8 2HD1 LEU 8 11.747 -2.928 -7.700 74 HD13 LEU 8 3HD1 LEU 8 13.065 -1.734 -7.699 75 HD21 LEU 8 3HD2 LEU 8 11.495 0.101 -6.838 76 HD22 LEU 8 1HD2 LEU 8 10.181 -1.080 -6.955 77 HD23 LEU 8 2HD2 LEU 8 10.473 -0.245 -5.421 78 H THR 9 HN THR 9 8.546 -5.378 -6.235 79 HA THR 9 HA THR 9 8.461 -7.589 -6.587 80 HB THR 9 HB THR 9 11.413 -7.514 -7.284 81 HG1 THR 9 HG1 THR 9 9.191 -7.316 -9.042 82 HG21 THR 9 3HG2 THR 9 9.258 -9.524 -8.022 83 HG22 THR 9 1HG2 THR 9 10.823 -9.368 -8.857 84 HG23 THR 9 2HG2 THR 9 10.786 -9.814 -7.160 85 H GLY 10 HN GLY 10 9.111 -9.744 -5.639 86 HA2 GLY 10 1HA GLY 10 10.895 -10.481 -3.861 87 HA3 GLY 10 2HA GLY 10 9.881 -9.450 -2.828 88 H LYS 11 HN LYS 11 9.868 -11.863 -1.953 89 HA LYS 11 HA LYS 11 7.725 -13.518 -3.052 90 HB2 LYS 11 2HB LYS 11 9.819 -14.087 -1.434 91 HB3 LYS 11 3HB LYS 11 8.607 -13.767 -0.182 92 HG2 LYS 11 2HG LYS 11 7.156 -15.509 -1.109 93 HG3 LYS 11 3HG LYS 11 8.186 -15.651 -2.540 94 HD2 LYS 11 2HD LYS 11 8.607 -17.521 -1.131 95 HD3 LYS 11 3HD LYS 11 10.050 -16.523 -1.171 96 HE2 LYS 11 2HE LYS 11 8.031 -16.114 1.050 97 HE3 LYS 11 3HE LYS 11 9.027 -17.566 1.088 98 HZ1 LYS 11 3HZ LYS 11 10.998 -16.184 1.059 99 HZ2 LYS 11 1HZ LYS 11 10.131 -14.812 1.066 100 HZ3 LYS 11 2HZ LYS 11 10.046 -15.844 2.352 101 H THR 12 HN THR 12 5.597 -12.984 -2.778 102 HA THR 12 HA THR 12 4.974 -10.425 -1.845 103 HB THR 12 HB THR 12 3.418 -12.806 -2.826 104 HG1 THR 12 HG1 THR 12 3.808 -10.155 -3.720 105 HG21 THR 12 3HG2 THR 12 1.795 -11.821 -1.330 106 HG22 THR 12 1HG2 THR 12 2.143 -10.178 -1.948 107 HG23 THR 12 2HG2 THR 12 1.393 -11.414 -2.987 108 H ILE 13 HN ILE 13 3.532 -9.683 -0.278 109 HA ILE 13 HA ILE 13 3.731 -11.122 2.285 110 HB ILE 13 HB ILE 13 4.969 -8.861 1.605 111 HG12 ILE 13 2HG1 ILE 13 4.804 -10.186 3.858 112 HG13 ILE 13 3HG1 ILE 13 5.582 -8.628 3.691 113 HG21 ILE 13 1HG2 ILE 13 2.367 -7.659 2.563 114 HG22 ILE 13 2HG2 ILE 13 3.873 -6.839 2.103 115 HG23 ILE 13 3HG2 ILE 13 2.937 -7.758 0.894 116 HD11 ILE 13 3HD1 ILE 13 4.099 -8.878 5.686 117 HD12 ILE 13 1HD1 ILE 13 3.819 -7.474 4.681 118 HD13 ILE 13 2HD1 ILE 13 2.714 -8.872 4.592 119 H THR 14 HN THR 14 1.763 -10.109 3.774 120 HA THR 14 HA THR 14 -0.646 -9.881 2.072 121 HB THR 14 HB THR 14 -0.580 -11.416 4.693 122 HG1 THR 14 HG1 THR 14 0.626 -12.387 2.977 123 HG21 THR 14 3HG2 THR 14 -2.787 -10.501 4.065 124 HG22 THR 14 1HG2 THR 14 -2.607 -11.139 2.407 125 HG23 THR 14 2HG2 THR 14 -2.772 -12.240 3.792 126 H LEU 15 HN LEU 15 -2.110 -8.393 2.847 127 HA LEU 15 HA LEU 15 -1.288 -6.630 5.094 128 HG LEU 15 HG LEU 15 -1.410 -3.663 2.683 129 HB2 LEU 15 2HB LEU 15 -0.519 -5.936 2.757 130 HB3 LEU 15 3HB LEU 15 -2.194 -5.855 2.274 131 HD11 LEU 15 1HD1 LEU 15 -3.662 -4.137 3.814 132 HD12 LEU 15 2HD1 LEU 15 -2.778 -4.204 5.340 133 HD13 LEU 15 3HD1 LEU 15 -2.763 -2.717 4.377 134 HD21 LEU 15 3HD2 LEU 15 0.561 -4.462 3.986 135 HD22 LEU 15 1HD2 LEU 15 -0.201 -2.999 4.645 136 HD23 LEU 15 2HD2 LEU 15 -0.463 -4.563 5.411 137 H GLU 16 HN GLU 16 -3.079 -6.954 6.475 138 HA GLU 16 HA GLU 16 -5.731 -7.327 5.244 139 HB2 GLU 16 2HB GLU 16 -4.976 -8.588 7.338 140 HB3 GLU 16 3HB GLU 16 -5.057 -7.023 8.178 141 HG2 GLU 16 2HG GLU 16 -7.429 -6.806 7.121 142 HG3 GLU 16 3HG GLU 16 -7.256 -8.519 6.701 143 H VAL 17 HN VAL 17 -6.910 -5.522 4.691 144 HA VAL 17 HA VAL 17 -6.871 -3.264 6.410 145 HB VAL 17 HB VAL 17 -5.070 -2.512 4.964 146 HG11 VAL 17 1HG1 VAL 17 -5.194 -2.184 2.617 147 HG12 VAL 17 2HG1 VAL 17 -5.703 -3.863 2.914 148 HG13 VAL 17 3HG1 VAL 17 -6.910 -2.634 2.567 149 HG21 VAL 17 3HG2 VAL 17 -7.553 -0.972 4.170 150 HG22 VAL 17 1HG2 VAL 17 -6.783 -0.865 5.760 151 HG23 VAL 17 2HG2 VAL 17 -5.892 -0.386 4.317 152 H GLU 18 HN GLU 18 -8.739 -2.170 6.188 153 HA GLU 18 HA GLU 18 -10.966 -3.645 4.939 154 HB2 GLU 18 2HB GLU 18 -12.295 -2.305 6.603 155 HB3 GLU 18 3HB GLU 18 -11.232 -3.506 7.289 156 HG2 GLU 18 2HG GLU 18 -10.516 -0.535 7.128 157 HG3 GLU 18 3HG GLU 18 -11.352 -1.276 8.499 158 HA PRO 19 HA PRO 19 -11.873 0.072 2.576 159 HB2 PRO 19 2HB PRO 19 -14.591 0.087 2.389 160 HB3 PRO 19 3HB PRO 19 -13.570 -1.110 1.532 161 HG2 PRO 19 2HG PRO 19 -14.914 -1.425 4.230 162 HG3 PRO 19 3HG PRO 19 -15.032 -2.531 2.827 163 HD2 PRO 19 2HD PRO 19 -13.263 -2.999 4.819 164 HD3 PRO 19 3HD PRO 19 -12.788 -3.271 3.121 165 H SER 20 HN SER 20 -13.307 2.078 2.761 166 HA SER 20 HA SER 20 -13.660 4.017 3.837 167 HG SER 20 HG SER 20 -15.547 1.637 5.826 168 HB2 SER 20 2HB SER 20 -13.849 2.586 6.477 169 HB3 SER 20 3HB SER 20 -14.609 4.092 5.986 170 H ASP 21 HN ASP 21 -10.977 2.096 4.505 171 HA ASP 21 HA ASP 21 -9.506 3.634 6.219 172 HB2 ASP 21 2HB ASP 21 -9.079 1.346 4.867 173 HB3 ASP 21 3HB ASP 21 -7.992 2.413 3.965 174 H THR 22 HN THR 22 -7.190 4.635 5.144 175 HA THR 22 HA THR 22 -7.799 6.511 3.001 176 HB THR 22 HB THR 22 -8.636 7.842 4.758 177 HG1 THR 22 HG1 THR 22 -6.979 9.488 4.921 178 HG21 THR 22 3HG2 THR 22 -6.172 7.178 6.397 179 HG22 THR 22 1HG2 THR 22 -7.386 8.389 6.821 180 HG23 THR 22 2HG2 THR 22 -7.853 6.691 6.753 181 H ILE 23 HN ILE 23 -5.604 7.654 2.451 182 HA ILE 23 HA ILE 23 -3.986 5.296 1.961 183 HB ILE 23 HB ILE 23 -4.066 8.115 0.965 184 HG12 ILE 23 2HG1 ILE 23 -4.284 7.107 -1.147 185 HG13 ILE 23 3HG1 ILE 23 -3.873 5.486 -0.513 186 HG21 ILE 23 1HG2 ILE 23 -1.683 6.289 0.475 187 HG22 ILE 23 2HG2 ILE 23 -2.054 7.789 -0.422 188 HG23 ILE 23 3HG2 ILE 23 -1.668 7.869 1.294 189 HD11 ILE 23 3HD1 ILE 23 -6.326 7.105 0.193 190 HD12 ILE 23 1HD1 ILE 23 -6.205 5.841 -1.079 191 HD13 ILE 23 2HD1 ILE 23 -6.013 5.398 0.618 192 H GLU 24 HN GLU 24 -3.431 8.332 3.738 193 HA GLU 24 HA GLU 24 -1.316 8.047 5.330 194 HB2 GLU 24 2HB GLU 24 -4.260 8.535 5.865 195 HB3 GLU 24 3HB GLU 24 -3.183 8.471 7.241 196 HG2 GLU 24 2HG GLU 24 -2.409 10.282 4.954 197 HG3 GLU 24 3HG GLU 24 -3.733 10.747 6.027 198 H ASN 25 HN ASN 25 -4.234 5.992 5.775 199 HA ASN 25 HA ASN 25 -3.089 4.577 8.070 200 HB2 ASN 25 2HB ASN 25 -5.626 4.088 6.474 201 HB3 ASN 25 3HB ASN 25 -5.108 3.130 7.842 202 HD21 ASN 25 1HD2 ASN 25 -7.414 3.803 8.224 203 HD22 ASN 25 2HD2 ASN 25 -7.698 5.218 9.225 204 H VAL 26 HN VAL 26 -4.098 3.684 4.689 205 HA VAL 26 HA VAL 26 -3.218 1.040 4.860 206 HB VAL 26 HB VAL 26 -2.867 2.552 2.251 207 HG11 VAL 26 1HG1 VAL 26 -3.818 -0.275 2.881 208 HG12 VAL 26 2HG1 VAL 26 -3.541 0.399 1.260 209 HG13 VAL 26 3HG1 VAL 26 -2.188 0.152 2.363 210 HG21 VAL 26 3HG2 VAL 26 -5.097 3.226 2.886 211 HG22 VAL 26 1HG2 VAL 26 -5.186 2.014 1.626 212 HG23 VAL 26 2HG2 VAL 26 -5.536 1.570 3.310 213 H LYS 27 HN LYS 27 -1.352 3.934 3.776 214 HA LYS 27 HA LYS 27 1.003 2.492 3.164 215 HB2 LYS 27 2HB LYS 27 2.009 4.545 2.735 216 HB3 LYS 27 3HB LYS 27 0.313 4.939 2.497 217 HG2 LYS 27 2HG LYS 27 0.353 5.804 4.905 218 HG3 LYS 27 3HG LYS 27 2.112 5.672 4.828 219 HD2 LYS 27 2HD LYS 27 0.312 7.354 3.035 220 HD3 LYS 27 3HD LYS 27 1.283 7.967 4.364 221 HE2 LYS 27 2HE LYS 27 2.371 6.671 1.835 222 HE3 LYS 27 3HE LYS 27 2.249 8.410 2.127 223 HZ1 LYS 27 3HZ LYS 27 3.783 8.114 3.997 224 HZ2 LYS 27 1HZ LYS 27 3.975 6.511 3.582 225 HZ3 LYS 27 2HZ LYS 27 4.461 7.720 2.587 226 H ALA 28 HN ALA 28 -0.148 3.883 6.223 227 HA ALA 28 HA ALA 28 2.276 3.401 7.663 228 HB1 ALA 28 1HB ALA 28 -0.615 3.599 8.607 229 HB2 ALA 28 2HB ALA 28 0.816 3.608 9.639 230 HB3 ALA 28 3HB ALA 28 0.557 4.928 8.486 231 H LYS 29 HN LYS 29 -0.640 1.475 6.976 232 HA LYS 29 HA LYS 29 -0.151 -0.656 8.744 233 HB2 LYS 29 2HB LYS 29 -2.135 -0.011 6.963 234 HB3 LYS 29 3HB LYS 29 -1.385 -1.339 6.077 235 HG2 LYS 29 2HG LYS 29 -1.694 -2.850 7.942 236 HG3 LYS 29 3HG LYS 29 -2.137 -1.520 9.026 237 HD2 LYS 29 2HD LYS 29 -3.784 -2.335 6.638 238 HD3 LYS 29 3HD LYS 29 -4.040 -2.860 8.312 239 HE2 LYS 29 2HE LYS 29 -3.895 -0.124 8.607 240 HE3 LYS 29 3HE LYS 29 -4.703 -0.246 7.045 241 HZ1 LYS 29 3HZ LYS 29 -6.508 -1.394 8.064 242 HZ2 LYS 29 1HZ LYS 29 -5.670 -1.731 9.435 243 HZ3 LYS 29 2HZ LYS 29 -6.144 -0.198 9.049 244 H ILE 30 HN ILE 30 0.712 -0.337 5.297 245 HA ILE 30 HA ILE 30 2.235 -2.769 5.308 246 HB ILE 30 HB ILE 30 3.499 -1.360 3.451 247 HG12 ILE 30 2HG1 ILE 30 1.838 0.580 3.739 248 HG13 ILE 30 3HG1 ILE 30 2.523 0.083 2.193 249 HG21 ILE 30 1HG2 ILE 30 2.499 -3.598 3.299 250 HG22 ILE 30 2HG2 ILE 30 1.044 -2.832 2.656 251 HG23 ILE 30 3HG2 ILE 30 2.591 -2.623 1.841 252 HD11 ILE 30 3HD1 ILE 30 0.503 -0.922 1.475 253 HD12 ILE 30 1HD1 ILE 30 -0.189 -0.920 3.110 254 HD13 ILE 30 2HD1 ILE 30 0.019 0.602 2.220 255 H GLN 31 HN GLN 31 3.302 0.681 5.789 256 HA GLN 31 HA GLN 31 6.010 0.074 5.757 257 HB2 GLN 31 2HB GLN 31 6.409 2.240 6.401 258 HB3 GLN 31 3HB GLN 31 4.805 2.367 5.848 259 HG2 GLN 31 2HG GLN 31 4.896 3.692 7.724 260 HG3 GLN 31 3HG GLN 31 3.977 2.288 8.200 261 HE21 GLN 31 1HE2 GLN 31 4.639 1.151 10.050 262 HE22 GLN 31 2HE2 GLN 31 6.227 1.354 10.753 263 H ASP 32 HN ASP 32 3.689 -0.298 8.406 264 HA ASP 32 HA ASP 32 5.727 -0.863 10.378 265 HB2 ASP 32 2HB ASP 32 3.258 0.002 10.652 266 HB3 ASP 32 3HB ASP 32 2.837 -1.709 10.678 267 H LYS 33 HN LYS 33 3.667 -2.935 8.334 268 HA LYS 33 HA LYS 33 4.476 -5.382 9.695 269 HB2 LYS 33 2HB LYS 33 3.020 -4.807 7.095 270 HB3 LYS 33 3HB LYS 33 3.301 -6.450 7.713 271 HG2 LYS 33 2HG LYS 33 2.020 -5.974 9.740 272 HG3 LYS 33 3HG LYS 33 1.854 -4.279 9.295 273 HD2 LYS 33 2HD LYS 33 -0.205 -5.106 8.662 274 HD3 LYS 33 3HD LYS 33 0.690 -5.084 7.164 275 HE2 LYS 33 2HE LYS 33 -0.347 -7.175 7.087 276 HE3 LYS 33 3HE LYS 33 1.241 -7.602 7.729 277 HZ1 LYS 33 3HZ LYS 33 -0.627 -8.606 8.977 278 HZ2 LYS 33 1HZ LYS 33 0.261 -7.634 9.954 279 HZ3 LYS 33 2HZ LYS 33 -1.176 -7.113 9.397 280 H GLU 34 HN GLU 34 5.445 -3.744 6.645 281 HA GLU 34 HA GLU 34 7.436 -5.772 6.021 282 HB2 GLU 34 2HB GLU 34 6.571 -4.500 4.236 283 HB3 GLU 34 3HB GLU 34 6.920 -2.950 5.002 284 HG2 GLU 34 2HG GLU 34 9.289 -3.237 4.610 285 HG3 GLU 34 3HG GLU 34 9.084 -4.933 4.213 286 H GLY 35 HN GLY 35 7.266 -3.079 8.248 287 HA2 GLY 35 1HA GLY 35 8.686 -2.379 9.875 288 HA3 GLY 35 2HA GLY 35 9.747 -3.761 9.529 289 H ILE 36 HN ILE 36 8.632 -0.641 8.156 290 HA ILE 36 HA ILE 36 11.283 0.155 7.284 291 HB ILE 36 HB ILE 36 10.419 -1.451 5.608 292 HG12 ILE 36 2HG1 ILE 36 12.009 0.351 4.978 293 HG13 ILE 36 3HG1 ILE 36 11.159 -0.529 3.725 294 HG21 ILE 36 1HG2 ILE 36 8.199 0.490 4.977 295 HG22 ILE 36 2HG2 ILE 36 8.628 -1.005 4.108 296 HG23 ILE 36 3HG2 ILE 36 8.043 -1.090 5.763 297 HD11 ILE 36 3HD1 ILE 36 9.666 1.363 3.294 298 HD12 ILE 36 1HD1 ILE 36 10.475 2.297 4.567 299 HD13 ILE 36 2HD1 ILE 36 11.366 1.798 3.132 300 HA PRO 37 HA PRO 37 8.965 3.656 8.447 301 HB2 PRO 37 2HB PRO 37 10.467 5.793 7.747 302 HB3 PRO 37 3HB PRO 37 10.977 4.610 8.965 303 HG2 PRO 37 2HG PRO 37 11.745 4.609 6.024 304 HG3 PRO 37 3HG PRO 37 12.835 4.545 7.450 305 HD2 PRO 37 2HD PRO 37 12.052 2.290 6.175 306 HD3 PRO 37 3HD PRO 37 12.175 2.330 7.953 307 HA PRO 38 HA PRO 38 6.583 5.586 5.030 308 HB2 PRO 38 2HB PRO 38 6.116 8.095 6.033 309 HB3 PRO 38 3HB PRO 38 5.262 6.638 6.628 310 HG2 PRO 38 2HG PRO 38 7.750 7.938 7.800 311 HG3 PRO 38 3HG PRO 38 6.223 7.519 8.652 312 HD2 PRO 38 2HD PRO 38 8.297 5.826 8.745 313 HD3 PRO 38 3HD PRO 38 6.637 5.227 8.442 314 H ASP 39 HN ASP 39 9.634 6.576 6.243 315 HA ASP 39 HA ASP 39 10.328 8.802 4.801 316 HB2 ASP 39 2HB ASP 39 11.582 7.199 6.563 317 HB3 ASP 39 3HB ASP 39 12.413 6.683 5.108 318 H GLN 40 HN GLN 40 10.115 5.440 3.749 319 HA GLN 40 HA GLN 40 10.525 6.332 0.931 320 HB2 GLN 40 2HB GLN 40 11.582 3.690 1.982 321 HB3 GLN 40 3HB GLN 40 11.762 4.380 0.381 322 HG2 GLN 40 2HG GLN 40 12.922 6.343 1.957 323 HG3 GLN 40 3HG GLN 40 13.302 4.891 2.876 324 HE21 GLN 40 1HE2 GLN 40 15.256 3.967 2.234 325 HE22 GLN 40 2HE2 GLN 40 16.045 4.331 0.706 326 H GLN 41 HN GLN 41 8.457 4.589 3.161 327 HA GLN 41 HA GLN 41 7.443 2.721 1.237 328 HB2 GLN 41 2HB GLN 41 7.373 2.491 3.767 329 HB3 GLN 41 3HB GLN 41 6.086 3.689 3.772 330 HG2 GLN 41 2HG GLN 41 4.919 1.664 3.790 331 HG3 GLN 41 3HG GLN 41 4.844 2.124 2.113 332 HE21 GLN 41 1HE2 GLN 41 8.060 0.950 2.441 333 HE22 GLN 41 2HE2 GLN 41 7.638 -0.748 2.191 334 H ARG 42 HN ARG 42 7.037 3.966 -0.617 335 HA ARG 42 HA ARG 42 4.878 5.938 -0.589 336 HE ARG 42 HE ARG 42 7.926 7.978 -2.442 337 HB2 ARG 42 2HB ARG 42 7.202 6.002 -1.810 338 HB3 ARG 42 3HB ARG 42 6.393 5.021 -3.044 339 HG2 ARG 42 2HG ARG 42 4.627 6.767 -3.246 340 HG3 ARG 42 3HG ARG 42 5.464 7.748 -2.042 341 HD2 ARG 42 2HD ARG 42 6.590 6.898 -4.742 342 HD3 ARG 42 3HD ARG 42 5.953 8.507 -4.341 343 HH11 ARG 42 2HH2 ARG 42 7.799 8.653 -5.952 344 HH12 ARG 42 1HH2 ARG 42 9.436 9.289 -5.924 345 HH21 ARG 42 2HH1 ARG 42 10.054 8.644 -2.562 346 HH22 ARG 42 1HH1 ARG 42 10.773 9.103 -4.078 347 H LEU 43 HN LEU 43 2.797 5.399 -0.974 348 HA LEU 43 HA LEU 43 2.137 2.713 -1.994 349 HG LEU 43 HG LEU 43 0.023 3.472 0.947 350 HB2 LEU 43 2HB LEU 43 0.706 4.947 -0.581 351 HB3 LEU 43 3HB LEU 43 -0.283 3.950 -1.595 352 HD11 LEU 43 1HD1 LEU 43 -1.371 1.972 0.275 353 HD12 LEU 43 2HD1 LEU 43 -0.649 1.822 -1.338 354 HD13 LEU 43 3HD1 LEU 43 -0.023 0.873 0.019 355 HD21 LEU 43 3HD2 LEU 43 2.378 1.863 -0.131 356 HD22 LEU 43 1HD2 LEU 43 2.526 3.340 0.844 357 HD23 LEU 43 2HD2 LEU 43 1.787 1.895 1.486 358 H ILE 44 HN ILE 44 0.245 2.530 -3.548 359 HA ILE 44 HA ILE 44 -0.142 4.535 -5.541 360 HB ILE 44 HB ILE 44 2.108 3.389 -6.076 361 HG12 ILE 44 2HG1 ILE 44 0.922 4.688 -7.699 362 HG13 ILE 44 3HG1 ILE 44 1.916 3.408 -8.377 363 HG21 ILE 44 1HG2 ILE 44 2.166 1.243 -7.081 364 HG22 ILE 44 2HG2 ILE 44 1.543 1.144 -5.442 365 HG23 ILE 44 3HG2 ILE 44 0.422 0.990 -6.824 366 HD11 ILE 44 3HD1 ILE 44 -0.045 3.576 -9.678 367 HD12 ILE 44 1HD1 ILE 44 -0.219 2.074 -8.765 368 HD13 ILE 44 2HD1 ILE 44 -1.109 3.541 -8.276 369 H PHE 45 HN PHE 45 -2.244 3.817 -6.608 370 HA PHE 45 HA PHE 45 -3.110 1.067 -5.981 371 HD1 PHE 45 HD2 PHE 45 -2.723 2.409 -3.108 372 HD2 PHE 45 HD1 PHE 45 -6.534 0.863 -4.392 373 HE1 PHE 45 HE2 PHE 45 -2.875 1.101 -1.043 374 HE2 PHE 45 HE1 PHE 45 -6.549 -0.577 -2.394 375 HZ PHE 45 HZ PHE 45 -4.774 -0.451 -0.687 376 HB2 PHE 45 2HB PHE 45 -4.444 3.572 -5.018 377 HB3 PHE 45 3HB PHE 45 -5.479 2.374 -5.769 378 H ALA 46 HN ALA 46 -4.260 0.240 -7.674 379 HA ALA 46 HA ALA 46 -4.673 -0.180 -9.809 380 HB1 ALA 46 1HB ALA 46 -6.689 1.093 -9.311 381 HB2 ALA 46 2HB ALA 46 -5.885 2.612 -9.713 382 HB3 ALA 46 3HB ALA 46 -6.183 1.409 -10.980 383 H GLY 47 HN GLY 47 -3.966 3.261 -10.244 384 HA2 GLY 47 1HA GLY 47 -1.363 2.857 -11.339 385 HA3 GLY 47 2HA GLY 47 -2.498 3.249 -12.629 386 H LYS 48 HN LYS 48 -3.201 4.686 -9.458 387 HA LYS 48 HA LYS 48 -2.667 7.290 -10.764 388 HB2 LYS 48 2HB LYS 48 -4.125 8.247 -9.077 389 HB3 LYS 48 3HB LYS 48 -4.943 7.024 -10.044 390 HG2 LYS 48 2HG LYS 48 -4.811 5.443 -8.210 391 HG3 LYS 48 3HG LYS 48 -3.805 6.526 -7.265 392 HD2 LYS 48 2HD LYS 48 -6.759 6.719 -7.906 393 HD3 LYS 48 3HD LYS 48 -5.990 6.514 -6.353 394 HE2 LYS 48 2HE LYS 48 -6.652 8.685 -6.207 395 HE3 LYS 48 3HE LYS 48 -4.995 8.941 -6.770 396 HZ1 LYS 48 3HZ LYS 48 -7.361 8.879 -8.567 397 HZ2 LYS 48 1HZ LYS 48 -6.748 10.245 -7.891 398 HZ3 LYS 48 2HZ LYS 48 -5.842 9.403 -8.946 399 H GLN 49 HN GLN 49 -1.904 9.072 -9.443 400 HA GLN 49 HA GLN 49 0.498 8.603 -7.968 401 HB2 GLN 49 2HB GLN 49 -0.195 10.625 -9.371 402 HB3 GLN 49 3HB GLN 49 -1.196 11.142 -8.016 403 HG2 GLN 49 2HG GLN 49 0.752 11.374 -6.600 404 HG3 GLN 49 3HG GLN 49 1.796 10.609 -7.808 405 HE21 GLN 49 1HE2 GLN 49 1.398 13.557 -6.516 406 HE22 GLN 49 2HE2 GLN 49 1.625 14.566 -7.918 407 H LEU 50 HN LEU 50 -2.854 8.821 -7.119 408 HA LEU 50 HA LEU 50 -4.023 8.009 -5.432 409 HG LEU 50 HG LEU 50 -2.890 6.966 -2.643 410 HB2 LEU 50 2HB LEU 50 -3.398 6.032 -5.064 411 HB3 LEU 50 3HB LEU 50 -1.711 6.374 -5.382 412 HD11 LEU 50 1HD1 LEU 50 -3.547 4.682 -3.151 413 HD12 LEU 50 2HD1 LEU 50 -1.849 4.321 -3.544 414 HD13 LEU 50 3HD1 LEU 50 -2.318 4.761 -1.892 415 HD21 LEU 50 3HD2 LEU 50 -0.596 6.422 -1.927 416 HD22 LEU 50 1HD2 LEU 50 -0.159 6.173 -3.649 417 HD23 LEU 50 2HD2 LEU 50 -0.642 7.755 -3.064 418 H GLU 51 HN GLU 51 -1.488 10.108 -4.548 419 HA GLU 51 HA GLU 51 -1.503 10.603 -2.020 420 HB2 GLU 51 2HB GLU 51 -1.799 12.713 -4.174 421 HB3 GLU 51 3HB GLU 51 -1.491 13.105 -2.479 422 HG2 GLU 51 2HG GLU 51 0.557 11.674 -2.539 423 HG3 GLU 51 3HG GLU 51 0.286 11.448 -4.282 424 H ASP 52 HN ASP 52 -3.199 9.959 -0.869 425 HA ASP 52 HA ASP 52 -5.105 9.882 0.295 426 HB2 ASP 52 2HB ASP 52 -3.958 12.596 0.889 427 HB3 ASP 52 3HB ASP 52 -5.055 11.708 1.950 428 H GLY 53 HN GLY 53 -5.746 11.104 -2.375 429 HA2 GLY 53 1HA GLY 53 -7.436 13.356 -1.919 430 HA3 GLY 53 2HA GLY 53 -7.034 12.608 -3.464 431 H ARG 54 HN ARG 54 -8.488 10.735 -0.915 432 HA ARG 54 HA ARG 54 -11.184 10.906 -1.157 433 HE ARG 54 HE ARG 54 -14.927 10.977 -3.779 434 HB2 ARG 54 2HB ARG 54 -10.012 9.494 -3.498 435 HB3 ARG 54 3HB ARG 54 -11.153 8.487 -2.640 436 HG2 ARG 54 2HG ARG 54 -11.832 11.340 -3.449 437 HG3 ARG 54 3HG ARG 54 -12.045 9.978 -4.547 438 HD2 ARG 54 2HD ARG 54 -13.753 9.073 -3.357 439 HD3 ARG 54 3HD ARG 54 -13.217 9.677 -1.798 440 HH11 ARG 54 2HH2 ARG 54 -13.036 11.465 -0.772 441 HH12 ARG 54 1HH2 ARG 54 -14.230 12.533 -0.117 442 HH21 ARG 54 2HH1 ARG 54 -16.257 12.752 -2.939 443 HH22 ARG 54 1HH1 ARG 54 -15.852 13.447 -1.418 444 H THR 55 HN THR 55 -11.887 8.223 -0.676 445 HA THR 55 HA THR 55 -10.077 7.440 1.546 446 HB THR 55 HB THR 55 -11.908 8.346 2.672 447 HG1 THR 55 HG1 THR 55 -11.560 6.213 3.363 448 HG21 THR 55 3HG2 THR 55 -13.488 8.904 1.013 449 HG22 THR 55 1HG2 THR 55 -13.721 7.210 0.526 450 HG23 THR 55 2HG2 THR 55 -14.319 7.806 2.098 451 H LEU 56 HN LEU 56 -10.226 5.147 1.984 452 HA LEU 56 HA LEU 56 -10.108 3.365 -0.241 453 HG LEU 56 HG LEU 56 -8.682 1.094 2.307 454 HB2 LEU 56 2HB LEU 56 -9.336 3.392 2.379 455 HB3 LEU 56 3HB LEU 56 -10.743 2.316 2.434 456 HD11 LEU 56 1HD1 LEU 56 -9.933 0.864 -0.422 457 HD12 LEU 56 2HD1 LEU 56 -9.243 -0.376 0.613 458 HD13 LEU 56 3HD1 LEU 56 -10.780 0.341 1.027 459 HD21 LEU 56 3HD2 LEU 56 -7.309 2.841 1.155 460 HD22 LEU 56 1HD2 LEU 56 -7.128 1.226 0.481 461 HD23 LEU 56 2HD2 LEU 56 -8.135 2.400 -0.381 462 H SER 57 HN SER 57 -12.833 4.640 1.523 463 HA SER 57 HA SER 57 -14.753 2.641 0.881 464 HG SER 57 HG SER 57 -16.941 3.721 1.896 465 HB2 SER 57 2HB SER 57 -15.057 4.646 2.410 466 HB3 SER 57 3HB SER 57 -15.122 5.657 0.964 467 H ASP 58 HN ASP 58 -13.033 4.916 -1.163 468 HA ASP 58 HA ASP 58 -14.988 4.518 -3.367 469 HB2 ASP 58 2HB ASP 58 -13.604 6.851 -2.235 470 HB3 ASP 58 3HB ASP 58 -13.299 6.688 -3.961 471 H TYR 59 HN TYR 59 -11.546 4.499 -2.531 472 HA TYR 59 HA TYR 59 -10.601 3.659 -5.100 473 HD1 TYR 59 HD1 TYR 59 -9.118 5.313 -5.184 474 HD2 TYR 59 HD2 TYR 59 -8.749 4.676 -0.954 475 HE1 TYR 59 HE1 TYR 59 -8.353 7.645 -4.905 476 HE2 TYR 59 HE2 TYR 59 -8.286 7.060 -0.645 477 HH TYR 59 HH TYR 59 -7.282 9.130 -3.346 478 HB2 TYR 59 2HB TYR 59 -9.524 2.869 -2.362 479 HB3 TYR 59 3HB TYR 59 -8.648 2.863 -3.891 480 H ASN 60 HN ASN 60 -11.616 1.900 -2.238 481 HA ASN 60 HA ASN 60 -11.990 -0.259 -1.839 482 HB2 ASN 60 2HB ASN 60 -13.985 1.296 -1.789 483 HB3 ASN 60 3HB ASN 60 -14.554 0.441 -3.213 484 HD21 ASN 60 1HD2 ASN 60 -16.283 0.129 -1.144 485 HD22 ASN 60 2HD2 ASN 60 -16.073 -1.481 -0.498 486 H ILE 61 HN ILE 61 -11.912 -2.334 -2.317 487 HA ILE 61 HA ILE 61 -11.765 -3.324 -5.047 488 HB ILE 61 HB ILE 61 -9.283 -3.706 -4.657 489 HG12 ILE 61 2HG1 ILE 61 -8.957 -3.240 -2.320 490 HG13 ILE 61 3HG1 ILE 61 -8.018 -2.154 -3.341 491 HG21 ILE 61 1HG2 ILE 61 -8.548 -1.611 -5.520 492 HG22 ILE 61 2HG2 ILE 61 -10.079 -2.077 -6.257 493 HG23 ILE 61 3HG2 ILE 61 -10.023 -0.800 -5.016 494 HD11 ILE 61 3HD1 ILE 61 -9.711 -0.351 -2.875 495 HD12 ILE 61 1HD1 ILE 61 -10.301 -1.449 -1.559 496 HD13 ILE 61 2HD1 ILE 61 -8.656 -0.873 -1.577 497 H GLN 62 HN GLN 62 -10.470 -5.362 -4.845 498 HA GLN 62 HA GLN 62 -10.889 -7.035 -2.456 499 HB2 GLN 62 2HB GLN 62 -11.517 -8.877 -4.114 500 HB3 GLN 62 3HB GLN 62 -12.748 -7.647 -3.867 501 HG2 GLN 62 2HG GLN 62 -12.352 -6.607 -5.926 502 HG3 GLN 62 3HG GLN 62 -10.737 -7.320 -6.126 503 HE21 GLN 62 1HE2 GLN 62 -13.787 -7.499 -7.283 504 HE22 GLN 62 2HE2 GLN 62 -13.732 -9.093 -7.987 505 H LYS 63 HN LYS 63 -9.614 -9.265 -3.862 506 HA LYS 63 HA LYS 63 -6.939 -8.968 -3.697 507 HB2 LYS 63 2HB LYS 63 -6.733 -10.915 -5.187 508 HB3 LYS 63 3HB LYS 63 -8.102 -11.074 -4.105 509 HG2 LYS 63 2HG LYS 63 -9.152 -11.748 -6.023 510 HG3 LYS 63 3HG LYS 63 -9.438 -10.023 -6.134 511 HD2 LYS 63 2HD LYS 63 -7.048 -10.257 -7.513 512 HD3 LYS 63 3HD LYS 63 -7.831 -11.785 -7.885 513 HE2 LYS 63 2HE LYS 63 -9.016 -9.000 -8.294 514 HE3 LYS 63 3HE LYS 63 -8.314 -10.003 -9.554 515 HZ1 LYS 63 3HZ LYS 63 -10.751 -10.659 -8.021 516 HZ2 LYS 63 1HZ LYS 63 -10.686 -10.059 -9.538 517 HZ3 LYS 63 2HZ LYS 63 -10.113 -11.570 -9.270 518 H GLU 64 HN GLU 64 -8.745 -7.474 -6.270 519 HA GLU 64 HA GLU 64 -6.669 -7.184 -8.229 520 HB2 GLU 64 2HB GLU 64 -8.154 -5.620 -9.230 521 HB3 GLU 64 3HB GLU 64 -9.176 -6.880 -8.548 522 HG2 GLU 64 2HG GLU 64 -9.507 -5.346 -6.519 523 HG3 GLU 64 3HG GLU 64 -8.665 -4.082 -7.415 524 H SER 65 HN SER 65 -7.146 -5.703 -5.136 525 HA SER 65 HA SER 65 -6.363 -3.088 -5.426 526 HG SER 65 HG SER 65 -4.896 -2.775 -2.954 527 HB2 SER 65 2HB SER 65 -7.299 -4.272 -3.417 528 HB3 SER 65 3HB SER 65 -5.769 -5.043 -3.161 529 H THR 66 HN THR 66 -4.255 -5.674 -4.200 530 HA THR 66 HA THR 66 -1.980 -5.551 -3.821 531 HB THR 66 HB THR 66 -2.480 -7.396 -5.092 532 HG1 THR 66 HG1 THR 66 -0.397 -5.915 -6.200 533 HG21 THR 66 3HG2 THR 66 -2.740 -7.520 -7.507 534 HG22 THR 66 1HG2 THR 66 -3.966 -6.514 -6.792 535 HG23 THR 66 2HG2 THR 66 -2.622 -5.733 -7.627 536 H LEU 67 HN LEU 67 -1.533 -3.198 -3.421 537 HA LEU 67 HA LEU 67 -0.561 -1.699 -5.661 538 HG LEU 67 HG LEU 67 0.978 -2.248 -2.431 539 HB2 LEU 67 2HB LEU 67 0.350 -0.171 -4.145 540 HB3 LEU 67 3HB LEU 67 -1.230 -0.623 -3.557 541 HD11 LEU 67 1HD1 LEU 67 1.091 0.740 -2.095 542 HD12 LEU 67 2HD1 LEU 67 1.827 -0.419 -0.950 543 HD13 LEU 67 3HD1 LEU 67 2.344 -0.344 -2.648 544 HD21 LEU 67 3HD2 LEU 67 -1.276 -0.632 -1.232 545 HD22 LEU 67 1HD2 LEU 67 -1.304 -2.347 -1.651 546 HD23 LEU 67 2HD2 LEU 67 -0.233 -1.786 -0.375 547 H HIS 68 HN HIS 68 1.700 -0.759 -5.444 548 HA HIS 68 HA HIS 68 3.744 -2.882 -5.595 549 HD1 HIS 68 HD1 HIS 68 1.652 -3.980 -7.634 550 HD2 HIS 68 HD2 HIS 68 1.500 0.066 -8.815 551 HE1 HIS 68 HE1 HIS 68 -0.528 -3.679 -8.846 552 HB2 HIS 68 2HB HIS 68 3.708 -0.659 -7.610 553 HB3 HIS 68 3HB HIS 68 4.140 -2.348 -7.811 554 H LEU 69 HN LEU 69 5.166 -2.199 -3.940 555 HA LEU 69 HA LEU 69 5.161 0.642 -3.181 556 HG LEU 69 HG LEU 69 6.190 -0.974 -0.016 557 HB2 LEU 69 2HB LEU 69 6.856 -1.722 -2.280 558 HB3 LEU 69 3HB LEU 69 7.229 -0.071 -1.864 559 HD11 LEU 69 1HD1 LEU 69 4.230 0.450 0.339 560 HD12 LEU 69 2HD1 LEU 69 5.502 1.342 -0.515 561 HD13 LEU 69 3HD1 LEU 69 4.079 0.749 -1.392 562 HD21 LEU 69 3HD2 LEU 69 5.165 -2.863 -1.044 563 HD22 LEU 69 1HD2 LEU 69 4.019 -2.040 0.023 564 HD23 LEU 69 2HD2 LEU 69 3.858 -1.868 -1.741 565 H VAL 70 HN VAL 70 6.684 2.099 -3.669 566 HA VAL 70 HA VAL 70 8.593 1.471 -5.855 567 HB VAL 70 HB VAL 70 6.600 3.765 -5.677 568 HG11 VAL 70 1HG1 VAL 70 8.880 3.238 -7.606 569 HG12 VAL 70 2HG1 VAL 70 7.611 4.459 -7.868 570 HG13 VAL 70 3HG1 VAL 70 8.712 4.618 -6.504 571 HG21 VAL 70 3HG2 VAL 70 5.582 1.683 -6.585 572 HG22 VAL 70 1HG2 VAL 70 5.700 2.952 -7.796 573 HG23 VAL 70 2HG2 VAL 70 6.861 1.608 -7.813 574 H LEU 71 HN LEU 71 10.490 1.804 -4.878 575 HA LEU 71 HA LEU 71 11.006 4.340 -3.557 576 HG LEU 71 HG LEU 71 12.061 0.856 -2.339 577 HB2 LEU 71 2HB LEU 71 12.202 3.318 -1.664 578 HB3 LEU 71 3HB LEU 71 10.455 3.304 -1.569 579 HD11 LEU 71 1HD1 LEU 71 11.836 0.143 0.023 580 HD12 LEU 71 2HD1 LEU 71 12.742 1.650 -0.085 581 HD13 LEU 71 3HD1 LEU 71 11.044 1.681 0.418 582 HD21 LEU 71 3HD2 LEU 71 10.029 -0.348 -1.420 583 HD22 LEU 71 1HD2 LEU 71 9.204 1.222 -1.355 584 HD23 LEU 71 2HD2 LEU 71 9.720 0.519 -2.909 585 H ARG 72 HN ARG 72 12.453 1.117 -4.242 586 HA ARG 72 HA ARG 72 14.045 0.473 -5.710 587 HE ARG 72 HE ARG 72 16.991 2.984 -10.057 588 HB2 ARG 72 2HB ARG 72 13.233 2.177 -7.313 589 HB3 ARG 72 3HB ARG 72 14.320 3.375 -6.604 590 HG2 ARG 72 2HG ARG 72 16.288 2.097 -7.275 591 HG3 ARG 72 3HG ARG 72 15.247 0.802 -7.917 592 HD2 ARG 72 2HD ARG 72 14.205 2.459 -9.473 593 HD3 ARG 72 3HD ARG 72 15.254 3.723 -8.829 594 HH11 ARG 72 2HH2 ARG 72 14.563 0.425 -10.034 595 HH12 ARG 72 1HH2 ARG 72 15.423 -0.642 -11.077 596 HH21 ARG 72 2HH1 ARG 72 17.963 1.761 -11.835 597 HH22 ARG 72 1HH1 ARG 72 17.425 0.146 -12.104 598 H LEU 73 HN LEU 73 14.832 3.489 -3.988 599 HA LEU 73 HA LEU 73 17.470 2.635 -3.130 600 HG LEU 73 HG LEU 73 17.247 6.254 -2.253 601 HB2 LEU 73 2HB LEU 73 15.398 4.638 -2.167 602 HB3 LEU 73 3HB LEU 73 16.784 4.248 -1.175 603 HD11 LEU 73 1HD1 LEU 73 19.117 4.515 -2.126 604 HD12 LEU 73 2HD1 LEU 73 18.868 4.241 -3.857 605 HD13 LEU 73 3HD1 LEU 73 19.354 5.841 -3.268 606 HD21 LEU 73 3HD2 LEU 73 16.771 4.972 -4.958 607 HD22 LEU 73 1HD2 LEU 73 15.657 6.081 -4.130 608 HD23 LEU 73 2HD2 LEU 73 17.270 6.643 -4.616 609 H ARG 74 HN ARG 74 17.915 1.916 -1.044 610 HA ARG 74 HA ARG 74 15.782 1.202 0.841 611 HE ARG 74 HE ARG 74 18.155 -3.081 0.426 612 HB2 ARG 74 2HB ARG 74 16.066 -0.843 -0.524 613 HB3 ARG 74 3HB ARG 74 17.793 -0.864 -0.157 614 HG2 ARG 74 2HG ARG 74 15.949 -0.791 2.198 615 HG3 ARG 74 3HG ARG 74 15.832 -2.241 1.215 616 HD2 ARG 74 2HD ARG 74 18.457 -1.208 2.331 617 HD3 ARG 74 3HD ARG 74 17.413 -2.356 3.167 618 HH11 ARG 74 2HH2 ARG 74 18.765 -3.556 3.859 619 HH12 ARG 74 1HH2 ARG 74 19.979 -4.761 3.689 620 HH21 ARG 74 2HH1 ARG 74 19.625 -4.857 0.114 621 HH22 ARG 74 1HH1 ARG 74 20.408 -5.578 1.470 622 H GLY 75 HN GLY 75 19.303 1.329 0.036 623 HA2 GLY 75 1HA GLY 75 21.090 2.047 1.290 624 HA3 GLY 75 2HA GLY 75 19.992 2.600 2.574 625 H GLY 76 HN GLY 76 19.469 1.161 4.285 626 HA2 GLY 76 1HA GLY 76 19.071 -1.323 4.693 627 HA3 GLY 76 2HA GLY 76 20.817 -1.485 4.369 Start of MODEL 5 1 HA MET 1 HA MET 1 -11.374 -8.709 3.235 2 H1 MET 1 HN MET 1 -11.164 -7.174 5.741 3 HB2 MET 1 2HB MET 1 -12.509 -6.598 2.943 4 HB3 MET 1 3HB MET 1 -11.187 -5.705 3.658 5 HG2 MET 1 2HG MET 1 -9.726 -6.294 1.723 6 HG3 MET 1 3HG MET 1 -10.999 -7.349 1.112 7 HE1 MET 1 3HE MET 1 -9.254 -4.149 0.517 8 HE2 MET 1 1HE MET 1 -10.503 -2.889 0.384 9 HE3 MET 1 2HE MET 1 -10.117 -3.597 1.963 10 H GLN 2 HN GLN 2 -9.530 -8.945 1.949 11 HA GLN 2 HA GLN 2 -6.993 -8.113 3.113 12 HB2 GLN 2 2HB GLN 2 -6.038 -10.365 2.904 13 HB3 GLN 2 3HB GLN 2 -7.368 -10.327 4.074 14 HG2 GLN 2 2HG GLN 2 -8.920 -11.327 2.461 15 HG3 GLN 2 3HG GLN 2 -7.649 -11.357 1.229 16 HE21 GLN 2 1HE2 GLN 2 -9.217 -13.400 3.335 17 HE22 GLN 2 2HE2 GLN 2 -7.876 -14.428 3.781 18 H ILE 3 HN ILE 3 -5.253 -8.284 1.644 19 HA ILE 3 HA ILE 3 -5.788 -8.721 -1.159 20 HB ILE 3 HB ILE 3 -6.113 -6.708 -1.802 21 HG12 ILE 3 2HG1 ILE 3 -3.744 -6.165 -1.946 22 HG13 ILE 3 3HG1 ILE 3 -4.704 -4.757 -1.615 23 HG21 ILE 3 1HG2 ILE 3 -7.431 -6.211 0.159 24 HG22 ILE 3 2HG2 ILE 3 -6.018 -5.767 1.065 25 HG23 ILE 3 3HG2 ILE 3 -6.568 -4.761 -0.295 26 HD11 ILE 3 3HD1 ILE 3 -2.661 -4.705 -0.321 27 HD12 ILE 3 1HD1 ILE 3 -4.074 -4.724 0.734 28 HD13 ILE 3 2HD1 ILE 3 -3.102 -6.195 0.495 29 H PHE 4 HN PHE 4 -3.606 -8.433 -2.352 30 HA PHE 4 HA PHE 4 -1.412 -9.550 -0.689 31 HD1 PHE 4 HD2 PHE 4 -1.749 -11.856 -0.996 32 HD2 PHE 4 HD1 PHE 4 -3.144 -10.502 -4.863 33 HE1 PHE 4 HE2 PHE 4 -3.098 -13.912 -1.240 34 HE2 PHE 4 HE1 PHE 4 -4.461 -12.566 -5.108 35 HZ PHE 4 HZ PHE 4 -4.430 -14.299 -3.307 36 HB2 PHE 4 2HB PHE 4 -1.663 -9.169 -3.694 37 HB3 PHE 4 3HB PHE 4 -0.434 -10.095 -2.872 38 H VAL 5 HN VAL 5 0.910 -8.758 -1.604 39 HA VAL 5 HA VAL 5 0.910 -5.947 -2.412 40 HB VAL 5 HB VAL 5 1.530 -6.994 0.269 41 HG11 VAL 5 1HG1 VAL 5 3.860 -6.930 -0.366 42 HG12 VAL 5 2HG1 VAL 5 3.705 -5.238 -0.906 43 HG13 VAL 5 3HG1 VAL 5 3.483 -5.665 0.798 44 HG21 VAL 5 3HG2 VAL 5 1.462 -4.130 -0.709 45 HG22 VAL 5 1HG2 VAL 5 0.019 -5.094 -0.297 46 HG23 VAL 5 2HG2 VAL 5 1.198 -4.763 0.938 47 H LYS 6 HN LYS 6 3.176 -5.372 -3.132 48 HA LYS 6 HA LYS 6 4.977 -7.562 -3.731 49 HB2 LYS 6 2HB LYS 6 3.831 -5.749 -5.913 50 HB3 LYS 6 3HB LYS 6 5.233 -6.800 -6.114 51 HG2 LYS 6 2HG LYS 6 3.716 -8.758 -5.522 52 HG3 LYS 6 3HG LYS 6 2.340 -7.634 -5.653 53 HD2 LYS 6 2HD LYS 6 3.151 -7.133 -8.020 54 HD3 LYS 6 3HD LYS 6 4.302 -8.463 -7.828 55 HE2 LYS 6 2HE LYS 6 2.442 -10.019 -7.348 56 HE3 LYS 6 3HE LYS 6 1.269 -8.696 -7.500 57 HZ1 LYS 6 3HZ LYS 6 1.511 -10.125 -9.463 58 HZ2 LYS 6 1HZ LYS 6 1.736 -8.536 -9.809 59 HZ3 LYS 6 2HZ LYS 6 3.033 -9.575 -9.697 60 H THR 7 HN THR 7 7.142 -6.688 -3.919 61 HA THR 7 HA THR 7 7.491 -3.819 -3.197 62 HB THR 7 HB THR 7 9.296 -4.872 -1.623 63 HG1 THR 7 HG1 THR 7 7.557 -7.066 -1.701 64 HG21 THR 7 3HG2 THR 7 7.645 -5.309 0.203 65 HG22 THR 7 1HG2 THR 7 7.507 -3.748 -0.587 66 HG23 THR 7 2HG2 THR 7 6.343 -5.037 -0.974 67 H LEU 8 HN LEU 8 10.191 -3.667 -2.991 68 HA LEU 8 HA LEU 8 11.311 -4.466 -5.605 69 HG LEU 8 HG LEU 8 13.791 -3.901 -5.649 70 HB2 LEU 8 2HB LEU 8 11.742 -2.209 -4.222 71 HB3 LEU 8 3HB LEU 8 12.823 -3.241 -3.299 72 HD11 LEU 8 1HD1 LEU 8 13.695 -1.981 -7.247 73 HD12 LEU 8 2HD1 LEU 8 12.115 -2.745 -7.021 74 HD13 LEU 8 3HD1 LEU 8 12.498 -1.204 -6.215 75 HD21 LEU 8 3HD2 LEU 8 14.310 -1.191 -4.356 76 HD22 LEU 8 1HD2 LEU 8 15.082 -2.739 -3.939 77 HD23 LEU 8 2HD2 LEU 8 15.373 -2.006 -5.530 78 H THR 9 HN THR 9 11.367 -5.190 -2.098 79 HA THR 9 HA THR 9 12.673 -7.785 -2.596 80 HB THR 9 HB THR 9 13.559 -6.148 -0.246 81 HG1 THR 9 HG1 THR 9 14.891 -5.815 -2.721 82 HG21 THR 9 3HG2 THR 9 15.653 -7.369 -0.566 83 HG22 THR 9 1HG2 THR 9 14.281 -8.487 -0.506 84 HG23 THR 9 2HG2 THR 9 15.030 -8.081 -2.068 85 H GLY 10 HN GLY 10 11.109 -9.207 -1.854 86 HA2 GLY 10 1HA GLY 10 10.192 -9.569 0.696 87 HA3 GLY 10 2HA GLY 10 9.080 -8.379 0.006 88 H LYS 11 HN LYS 11 7.655 -10.365 0.486 89 HA LYS 11 HA LYS 11 7.437 -12.127 -1.911 90 HB2 LYS 11 2HB LYS 11 7.992 -12.976 0.649 91 HB3 LYS 11 3HB LYS 11 6.235 -12.921 0.730 92 HG2 LYS 11 2HG LYS 11 6.397 -14.308 -1.545 93 HG3 LYS 11 3HG LYS 11 8.064 -14.591 -1.016 94 HD2 LYS 11 2HD LYS 11 7.027 -15.374 1.221 95 HD3 LYS 11 3HD LYS 11 5.461 -15.335 0.381 96 HE2 LYS 11 2HE LYS 11 6.538 -16.857 -1.395 97 HE3 LYS 11 3HE LYS 11 7.922 -16.988 -0.297 98 HZ1 LYS 11 3HZ LYS 11 6.144 -17.714 1.387 99 HZ2 LYS 11 1HZ LYS 11 5.187 -17.976 0.083 100 HZ3 LYS 11 2HZ LYS 11 6.588 -18.804 0.214 101 H THR 12 HN THR 12 4.887 -13.004 -1.838 102 HA THR 12 HA THR 12 3.194 -10.898 -2.426 103 HB THR 12 HB THR 12 2.305 -13.448 -1.025 104 HG1 THR 12 HG1 THR 12 3.650 -13.230 -3.330 105 HG21 THR 12 3HG2 THR 12 0.276 -13.331 -2.279 106 HG22 THR 12 1HG2 THR 12 0.515 -11.750 -1.569 107 HG23 THR 12 2HG2 THR 12 0.881 -11.997 -3.284 108 H ILE 13 HN ILE 13 3.818 -12.271 0.748 109 HA ILE 13 HA ILE 13 2.867 -12.236 2.699 110 HB ILE 13 HB ILE 13 2.600 -10.183 3.892 111 HG12 ILE 13 2HG1 ILE 13 3.103 -8.577 1.364 112 HG13 ILE 13 3HG1 ILE 13 1.479 -8.858 2.015 113 HG21 ILE 13 1HG2 ILE 13 5.009 -9.990 2.044 114 HG22 ILE 13 2HG2 ILE 13 4.878 -9.377 3.703 115 HG23 ILE 13 3HG2 ILE 13 4.861 -11.115 3.408 116 HD11 ILE 13 3HD1 ILE 13 2.250 -6.725 2.760 117 HD12 ILE 13 1HD1 ILE 13 2.203 -7.811 4.170 118 HD13 ILE 13 2HD1 ILE 13 3.755 -7.400 3.399 119 H THR 14 HN THR 14 0.808 -11.086 3.987 120 HA THR 14 HA THR 14 -1.548 -11.092 2.245 121 HB THR 14 HB THR 14 -1.227 -12.729 4.813 122 HG1 THR 14 HG1 THR 14 -1.806 -14.427 3.394 123 HG21 THR 14 3HG2 THR 14 -3.701 -12.147 3.118 124 HG22 THR 14 1HG2 THR 14 -3.609 -13.318 4.454 125 HG23 THR 14 2HG2 THR 14 -3.425 -11.602 4.792 126 H LEU 15 HN LEU 15 -2.695 -9.261 2.738 127 HA LEU 15 HA LEU 15 -1.943 -7.733 5.169 128 HG LEU 15 HG LEU 15 -1.128 -4.748 3.146 129 HB2 LEU 15 2HB LEU 15 -0.840 -7.170 2.840 130 HB3 LEU 15 3HB LEU 15 -2.427 -6.556 2.439 131 HD11 LEU 15 1HD1 LEU 15 -3.508 -4.958 4.088 132 HD12 LEU 15 2HD1 LEU 15 -2.771 -5.429 5.637 133 HD13 LEU 15 3HD1 LEU 15 -2.478 -3.846 4.958 134 HD21 LEU 15 3HD2 LEU 15 0.651 -5.978 4.318 135 HD22 LEU 15 1HD2 LEU 15 0.065 -4.631 5.285 136 HD23 LEU 15 2HD2 LEU 15 -0.428 -6.271 5.699 137 H GLU 16 HN GLU 16 -3.725 -7.761 6.354 138 HA GLU 16 HA GLU 16 -6.369 -7.920 5.106 139 HB2 GLU 16 2HB GLU 16 -5.403 -8.134 7.971 140 HB3 GLU 16 3HB GLU 16 -7.097 -8.283 7.431 141 HG2 GLU 16 2HG GLU 16 -6.541 -10.160 5.989 142 HG3 GLU 16 3HG GLU 16 -4.834 -10.031 6.338 143 H VAL 17 HN VAL 17 -7.095 -6.048 4.386 144 HA VAL 17 HA VAL 17 -7.119 -3.705 6.069 145 HB VAL 17 HB VAL 17 -5.103 -3.289 4.798 146 HG11 VAL 17 1HG1 VAL 17 -6.711 -3.784 2.276 147 HG12 VAL 17 2HG1 VAL 17 -5.075 -3.109 2.337 148 HG13 VAL 17 3HG1 VAL 17 -5.371 -4.771 2.894 149 HG21 VAL 17 3HG2 VAL 17 -7.235 -1.653 3.401 150 HG22 VAL 17 1HG2 VAL 17 -6.834 -1.416 5.104 151 HG23 VAL 17 2HG2 VAL 17 -5.592 -1.192 3.870 152 H GLU 18 HN GLU 18 -8.736 -2.292 5.407 153 HA GLU 18 HA GLU 18 -10.998 -3.600 4.050 154 HB2 GLU 18 2HB GLU 18 -11.790 -1.516 5.883 155 HB3 GLU 18 3HB GLU 18 -12.191 -3.219 5.853 156 HG2 GLU 18 2HG GLU 18 -11.333 -2.659 8.004 157 HG3 GLU 18 3HG GLU 18 -10.172 -3.728 7.214 158 HA PRO 19 HA PRO 19 -11.445 0.287 1.789 159 HB2 PRO 19 2HB PRO 19 -14.057 0.306 1.174 160 HB3 PRO 19 3HB PRO 19 -12.943 -0.919 0.475 161 HG2 PRO 19 2HG PRO 19 -14.782 -1.231 2.846 162 HG3 PRO 19 3HG PRO 19 -14.602 -2.309 1.414 163 HD2 PRO 19 2HD PRO 19 -13.260 -2.699 3.785 164 HD3 PRO 19 3HD PRO 19 -12.595 -3.177 2.201 165 H SER 20 HN SER 20 -13.228 2.208 2.055 166 HA SER 20 HA SER 20 -13.312 4.097 3.309 167 HG SER 20 HG SER 20 -14.030 1.398 5.306 168 HB2 SER 20 2HB SER 20 -14.725 3.895 5.379 169 HB3 SER 20 3HB SER 20 -15.427 3.292 3.885 170 H ASP 21 HN ASP 21 -10.832 2.260 3.810 171 HA ASP 21 HA ASP 21 -10.164 2.952 6.521 172 HB2 ASP 21 2HB ASP 21 -9.431 0.864 5.454 173 HB3 ASP 21 3HB ASP 21 -8.407 1.784 4.339 174 H THR 22 HN THR 22 -7.474 3.605 4.511 175 HA THR 22 HA THR 22 -7.705 6.192 3.576 176 HB THR 22 HB THR 22 -8.204 7.102 5.717 177 HG1 THR 22 HG1 THR 22 -6.735 8.332 4.856 178 HG21 THR 22 3HG2 THR 22 -7.527 5.114 7.177 179 HG22 THR 22 1HG2 THR 22 -5.863 5.661 6.983 180 HG23 THR 22 2HG2 THR 22 -7.041 6.701 7.776 181 H ILE 23 HN ILE 23 -5.603 6.715 2.673 182 HA ILE 23 HA ILE 23 -4.071 4.327 2.196 183 HB ILE 23 HB ILE 23 -4.079 7.141 1.350 184 HG12 ILE 23 2HG1 ILE 23 -4.095 6.233 -0.899 185 HG13 ILE 23 3HG1 ILE 23 -4.134 4.597 -0.227 186 HG21 ILE 23 1HG2 ILE 23 -2.192 7.442 0.228 187 HG22 ILE 23 2HG2 ILE 23 -1.556 6.615 1.635 188 HG23 ILE 23 3HG2 ILE 23 -1.858 5.769 0.063 189 HD11 ILE 23 3HD1 ILE 23 -6.348 5.450 -0.941 190 HD12 ILE 23 1HD1 ILE 23 -6.327 5.100 0.782 191 HD13 ILE 23 2HD1 ILE 23 -6.220 6.785 0.220 192 H GLU 24 HN GLU 24 -3.789 6.972 4.544 193 HA GLU 24 HA GLU 24 -1.108 6.517 5.332 194 HB2 GLU 24 2HB GLU 24 -2.499 8.482 5.936 195 HB3 GLU 24 3HB GLU 24 -3.465 7.434 6.980 196 HG2 GLU 24 2HG GLU 24 -1.257 6.838 8.184 197 HG3 GLU 24 3HG GLU 24 -0.499 8.116 7.230 198 H ASN 25 HN ASN 25 -4.192 5.112 6.676 199 HA ASN 25 HA ASN 25 -2.823 3.301 8.435 200 HB2 ASN 25 2HB ASN 25 -5.581 3.406 7.247 201 HB3 ASN 25 3HB ASN 25 -5.049 1.905 7.978 202 HD21 ASN 25 1HD2 ASN 25 -7.197 3.255 8.848 203 HD22 ASN 25 2HD2 ASN 25 -6.946 3.722 10.534 204 H VAL 26 HN VAL 26 -3.886 2.990 5.031 205 HA VAL 26 HA VAL 26 -3.314 0.196 4.823 206 HB VAL 26 HB VAL 26 -3.154 2.308 2.669 207 HG11 VAL 26 1HG1 VAL 26 -3.546 0.487 1.064 208 HG12 VAL 26 2HG1 VAL 26 -2.068 0.188 1.983 209 HG13 VAL 26 3HG1 VAL 26 -3.557 -0.684 2.398 210 HG21 VAL 26 3HG2 VAL 26 -5.477 1.552 4.036 211 HG22 VAL 26 1HG2 VAL 26 -5.351 2.414 2.513 212 HG23 VAL 26 2HG2 VAL 26 -5.555 0.652 2.528 213 H LYS 27 HN LYS 27 -1.170 3.104 4.083 214 HA LYS 27 HA LYS 27 1.080 1.399 3.609 215 HB2 LYS 27 2HB LYS 27 2.485 3.316 3.787 216 HB3 LYS 27 3HB LYS 27 1.088 3.583 2.786 217 HG2 LYS 27 2HG LYS 27 0.046 4.771 4.751 218 HG3 LYS 27 3HG LYS 27 1.597 4.719 5.558 219 HD2 LYS 27 2HD LYS 27 0.751 6.218 3.041 220 HD3 LYS 27 3HD LYS 27 1.224 6.893 4.560 221 HE2 LYS 27 2HE LYS 27 3.115 5.305 2.744 222 HE3 LYS 27 3HE LYS 27 2.930 7.065 2.733 223 HZ1 LYS 27 3HZ LYS 27 3.510 7.075 5.074 224 HZ2 LYS 27 1HZ LYS 27 3.860 5.455 5.024 225 HZ3 LYS 27 2HZ LYS 27 4.733 6.554 4.118 226 H ALA 28 HN ALA 28 -0.298 2.722 6.609 227 HA ALA 28 HA ALA 28 1.833 2.064 8.308 228 HB1 ALA 28 1HB ALA 28 0.255 2.311 10.062 229 HB2 ALA 28 2HB ALA 28 -0.094 3.523 8.838 230 HB3 ALA 28 3HB ALA 28 -1.105 2.059 8.980 231 H LYS 29 HN LYS 29 -0.916 0.028 7.328 232 HA LYS 29 HA LYS 29 -0.339 -2.171 9.037 233 HB2 LYS 29 2HB LYS 29 -1.757 -1.847 6.388 234 HB3 LYS 29 3HB LYS 29 -1.361 -3.483 6.943 235 HG2 LYS 29 2HG LYS 29 -2.615 -3.256 8.927 236 HG3 LYS 29 3HG LYS 29 -2.810 -1.507 8.732 237 HD2 LYS 29 2HD LYS 29 -3.867 -3.376 6.593 238 HD3 LYS 29 3HD LYS 29 -4.764 -3.186 8.086 239 HE2 LYS 29 2HE LYS 29 -3.879 -0.587 7.055 240 HE3 LYS 29 3HE LYS 29 -4.857 -1.442 5.885 241 HZ1 LYS 29 3HZ LYS 29 -5.725 -0.783 8.641 242 HZ2 LYS 29 1HZ LYS 29 -6.213 -0.072 7.247 243 HZ3 LYS 29 2HZ LYS 29 -6.656 -1.576 7.521 244 H ILE 30 HN ILE 30 0.547 -1.972 5.560 245 HA ILE 30 HA ILE 30 2.434 -3.975 5.561 246 HB ILE 30 HB ILE 30 3.647 -2.464 3.778 247 HG12 ILE 30 2HG1 ILE 30 1.380 -0.738 4.428 248 HG13 ILE 30 3HG1 ILE 30 2.875 -0.421 3.642 249 HG21 ILE 30 1HG2 ILE 30 2.485 -3.474 2.110 250 HG22 ILE 30 2HG2 ILE 30 2.511 -4.584 3.466 251 HG23 ILE 30 3HG2 ILE 30 1.015 -3.693 3.096 252 HD11 ILE 30 3HD1 ILE 30 1.511 0.142 1.962 253 HD12 ILE 30 1HD1 ILE 30 1.563 -1.557 1.569 254 HD13 ILE 30 2HD1 ILE 30 0.192 -0.893 2.463 255 H GLN 31 HN GLN 31 3.087 -0.526 6.331 256 HA GLN 31 HA GLN 31 5.829 -0.461 6.501 257 HB2 GLN 31 2HB GLN 31 3.547 0.834 7.936 258 HB3 GLN 31 3HB GLN 31 5.065 0.907 8.769 259 HG2 GLN 31 2HG GLN 31 6.071 2.255 7.201 260 HG3 GLN 31 3HG GLN 31 5.103 1.622 5.914 261 HE21 GLN 31 1HE2 GLN 31 3.682 3.001 8.953 262 HE22 GLN 31 2HE2 GLN 31 2.998 4.380 8.148 263 H ASP 32 HN ASP 32 3.649 -1.362 9.184 264 HA ASP 32 HA ASP 32 5.820 -2.289 10.832 265 HB2 ASP 32 2HB ASP 32 3.597 -1.222 11.513 266 HB3 ASP 32 3HB ASP 32 2.852 -2.796 11.214 267 H LYS 33 HN LYS 33 3.729 -3.853 8.502 268 HA LYS 33 HA LYS 33 4.023 -6.579 9.427 269 HB2 LYS 33 2HB LYS 33 2.451 -5.300 7.527 270 HB3 LYS 33 3HB LYS 33 3.620 -6.079 6.494 271 HG2 LYS 33 2HG LYS 33 1.781 -7.381 8.544 272 HG3 LYS 33 3HG LYS 33 1.587 -7.364 6.784 273 HD2 LYS 33 2HD LYS 33 3.809 -8.611 6.640 274 HD3 LYS 33 3HD LYS 33 3.695 -8.846 8.394 275 HE2 LYS 33 2HE LYS 33 1.673 -9.761 6.293 276 HE3 LYS 33 3HE LYS 33 2.832 -10.792 7.152 277 HZ1 LYS 33 3HZ LYS 33 0.642 -10.939 8.143 278 HZ2 LYS 33 1HZ LYS 33 1.670 -10.243 9.216 279 HZ3 LYS 33 2HZ LYS 33 0.569 -9.336 8.383 280 H GLU 34 HN GLU 34 5.966 -4.426 7.420 281 HA GLU 34 HA GLU 34 7.756 -6.715 6.750 282 HB2 GLU 34 2HB GLU 34 8.153 -5.826 4.714 283 HB3 GLU 34 3HB GLU 34 6.424 -5.567 4.911 284 HG2 GLU 34 2HG GLU 34 6.812 -3.182 5.337 285 HG3 GLU 34 3HG GLU 34 8.559 -3.432 5.378 286 H GLY 35 HN GLY 35 7.616 -3.849 8.597 287 HA2 GLY 35 1HA GLY 35 9.112 -3.399 10.286 288 HA3 GLY 35 2HA GLY 35 10.351 -4.393 9.518 289 H ILE 36 HN ILE 36 8.383 -1.496 8.546 290 HA ILE 36 HA ILE 36 10.841 0.024 8.087 291 HB ILE 36 HB ILE 36 10.289 -1.413 6.115 292 HG12 ILE 36 2HG1 ILE 36 11.728 0.577 5.913 293 HG13 ILE 36 3HG1 ILE 36 10.983 -0.067 4.460 294 HG21 ILE 36 1HG2 ILE 36 8.544 -0.898 4.591 295 HG22 ILE 36 2HG2 ILE 36 7.870 -1.280 6.179 296 HG23 ILE 36 3HG2 ILE 36 7.930 0.404 5.642 297 HD11 ILE 36 3HD1 ILE 36 10.164 2.472 5.878 298 HD12 ILE 36 1HD1 ILE 36 11.007 2.321 4.342 299 HD13 ILE 36 2HD1 ILE 36 9.327 1.790 4.457 300 HA PRO 37 HA PRO 37 7.861 2.962 9.628 301 HB2 PRO 37 2HB PRO 37 9.311 5.291 9.533 302 HB3 PRO 37 3HB PRO 37 9.687 3.953 10.654 303 HG2 PRO 37 2HG PRO 37 10.911 4.479 7.921 304 HG3 PRO 37 3HG PRO 37 11.767 4.240 9.482 305 HD2 PRO 37 2HD PRO 37 11.409 2.179 7.777 306 HD3 PRO 37 3HD PRO 37 11.156 1.940 9.534 307 HA PRO 38 HA PRO 38 6.087 5.384 6.164 308 HB2 PRO 38 2HB PRO 38 4.965 7.520 7.530 309 HB3 PRO 38 3HB PRO 38 4.288 5.910 7.565 310 HG2 PRO 38 2HG PRO 38 6.134 7.184 9.592 311 HG3 PRO 38 3HG PRO 38 4.628 6.257 9.892 312 HD2 PRO 38 2HD PRO 38 7.097 5.156 10.116 313 HD3 PRO 38 3HD PRO 38 5.711 4.214 9.522 314 H ASP 39 HN ASP 39 8.850 5.587 6.524 315 HA ASP 39 HA ASP 39 9.407 8.499 6.140 316 HB2 ASP 39 2HB ASP 39 10.362 7.204 8.185 317 HB3 ASP 39 3HB ASP 39 11.428 6.426 7.009 318 H GLN 40 HN GLN 40 9.719 5.216 4.858 319 HA GLN 40 HA GLN 40 10.361 6.487 2.255 320 HB2 GLN 40 2HB GLN 40 12.120 4.736 3.627 321 HB3 GLN 40 3HB GLN 40 11.305 3.718 2.456 322 HG2 GLN 40 2HG GLN 40 13.060 4.407 1.191 323 HG3 GLN 40 3HG GLN 40 11.923 5.674 0.750 324 HE21 GLN 40 1HE2 GLN 40 12.091 7.577 2.766 325 HE22 GLN 40 2HE2 GLN 40 13.702 8.134 2.950 326 H GLN 41 HN GLN 41 8.177 4.458 4.044 327 HA GLN 41 HA GLN 41 7.435 2.702 1.965 328 HB2 GLN 41 2HB GLN 41 6.897 2.637 4.522 329 HB3 GLN 41 3HB GLN 41 5.576 3.732 4.123 330 HG2 GLN 41 2HG GLN 41 4.476 1.659 3.976 331 HG3 GLN 41 3HG GLN 41 4.945 1.892 2.331 332 HE21 GLN 41 1HE2 GLN 41 4.701 -0.669 4.271 333 HE22 GLN 41 2HE2 GLN 41 6.099 -1.522 3.593 334 H ARG 42 HN ARG 42 6.202 2.988 0.144 335 HA ARG 42 HA ARG 42 4.350 5.330 -0.060 336 HE ARG 42 HE ARG 42 5.151 8.688 -3.139 337 HB2 ARG 42 2HB ARG 42 6.689 5.020 -1.467 338 HB3 ARG 42 3HB ARG 42 5.648 4.070 -2.487 339 HG2 ARG 42 2HG ARG 42 5.609 6.237 -3.397 340 HG3 ARG 42 3HG ARG 42 4.083 6.178 -2.514 341 HD2 ARG 42 2HD ARG 42 5.042 7.404 -0.638 342 HD3 ARG 42 3HD ARG 42 6.677 7.175 -1.253 343 HH11 ARG 42 2HH2 ARG 42 6.771 8.914 0.056 344 HH12 ARG 42 1HH2 ARG 42 7.459 10.463 -0.283 345 HH21 ARG 42 2HH1 ARG 42 5.826 11.000 -3.359 346 HH22 ARG 42 1HH1 ARG 42 6.596 11.735 -2.001 347 H LEU 43 HN LEU 43 2.340 4.850 -1.356 348 HA LEU 43 HA LEU 43 1.977 1.961 -1.930 349 HG LEU 43 HG LEU 43 -0.816 4.189 -0.961 350 HB2 LEU 43 2HB LEU 43 -0.081 1.792 -0.873 351 HB3 LEU 43 3HB LEU 43 1.105 2.261 0.328 352 HD11 LEU 43 1HD1 LEU 43 -1.066 2.488 1.526 353 HD12 LEU 43 2HD1 LEU 43 -2.182 3.774 1.081 354 HD13 LEU 43 3HD1 LEU 43 -2.044 2.356 0.039 355 HD21 LEU 43 3HD2 LEU 43 1.411 4.502 0.905 356 HD22 LEU 43 1HD2 LEU 43 0.405 5.716 0.137 357 HD23 LEU 43 2HD2 LEU 43 -0.140 4.953 1.636 358 H ILE 44 HN ILE 44 1.178 1.589 -3.940 359 HA ILE 44 HA ILE 44 -0.504 3.648 -5.237 360 HB ILE 44 HB ILE 44 2.260 2.698 -6.029 361 HG12 ILE 44 2HG1 ILE 44 0.689 5.282 -5.876 362 HG13 ILE 44 3HG1 ILE 44 2.218 4.843 -5.117 363 HG21 ILE 44 1HG2 ILE 44 0.273 3.537 -8.170 364 HG22 ILE 44 2HG2 ILE 44 2.005 3.201 -8.389 365 HG23 ILE 44 3HG2 ILE 44 0.947 1.895 -7.966 366 HD11 ILE 44 3HD1 ILE 44 2.698 6.433 -6.799 367 HD12 ILE 44 1HD1 ILE 44 3.251 4.892 -7.434 368 HD13 ILE 44 2HD1 ILE 44 1.720 5.594 -8.021 369 H PHE 45 HN PHE 45 -1.781 2.888 -6.909 370 HA PHE 45 HA PHE 45 -1.927 -0.072 -7.324 371 HD1 PHE 45 HD2 PHE 45 -3.439 -1.439 -6.164 372 HD2 PHE 45 HD1 PHE 45 -5.039 2.453 -5.171 373 HE1 PHE 45 HE2 PHE 45 -4.120 -2.281 -3.903 374 HE2 PHE 45 HE1 PHE 45 -5.501 1.610 -2.908 375 HZ PHE 45 HZ PHE 45 -5.093 -0.714 -2.256 376 HB2 PHE 45 2HB PHE 45 -4.122 2.053 -7.273 377 HB3 PHE 45 3HB PHE 45 -4.345 0.426 -7.900 378 H ALA 46 HN ALA 46 -3.241 2.917 -8.751 379 HA ALA 46 HA ALA 46 -3.367 1.526 -11.269 380 HB1 ALA 46 1HB ALA 46 -5.235 2.867 -10.327 381 HB2 ALA 46 2HB ALA 46 -4.263 4.346 -10.547 382 HB3 ALA 46 3HB ALA 46 -4.761 3.375 -11.952 383 H GLY 47 HN GLY 47 -0.860 3.288 -9.992 384 HA2 GLY 47 1HA GLY 47 1.080 4.073 -11.137 385 HA3 GLY 47 2HA GLY 47 0.162 4.174 -12.648 386 H LYS 48 HN LYS 48 -1.036 5.518 -9.581 387 HA LYS 48 HA LYS 48 -0.219 8.242 -10.381 388 HB2 LYS 48 2HB LYS 48 -2.379 9.162 -9.769 389 HB3 LYS 48 3HB LYS 48 -2.529 8.019 -11.071 390 HG2 LYS 48 2HG LYS 48 -4.368 7.461 -9.876 391 HG3 LYS 48 3HG LYS 48 -3.248 6.296 -9.240 392 HD2 LYS 48 2HD LYS 48 -4.565 7.185 -7.420 393 HD3 LYS 48 3HD LYS 48 -2.930 7.852 -7.226 394 HE2 LYS 48 2HE LYS 48 -3.911 9.823 -8.746 395 HE3 LYS 48 3HE LYS 48 -5.458 9.164 -8.282 396 HZ1 LYS 48 3HZ LYS 48 -4.994 10.900 -6.870 397 HZ2 LYS 48 1HZ LYS 48 -4.758 9.594 -5.938 398 HZ3 LYS 48 2HZ LYS 48 -3.459 10.439 -6.528 399 H GLN 49 HN GLN 49 0.259 9.566 -8.554 400 HA GLN 49 HA GLN 49 1.867 8.331 -6.765 401 HB2 GLN 49 2HB GLN 49 0.439 10.950 -6.351 402 HB3 GLN 49 3HB GLN 49 1.671 10.327 -5.258 403 HG2 GLN 49 2HG GLN 49 3.336 10.483 -7.048 404 HG3 GLN 49 3HG GLN 49 2.100 11.135 -8.145 405 HE21 GLN 49 1HE2 GLN 49 1.940 13.466 -8.095 406 HE22 GLN 49 2HE2 GLN 49 2.349 14.408 -6.659 407 H LEU 50 HN LEU 50 -1.497 9.008 -6.121 408 HA LEU 50 HA LEU 50 -3.055 8.101 -4.787 409 HG LEU 50 HG LEU 50 -3.783 6.488 -2.952 410 HB2 LEU 50 2HB LEU 50 -1.359 5.996 -4.709 411 HB3 LEU 50 3HB LEU 50 -1.221 6.535 -3.039 412 HD11 LEU 50 1HD1 LEU 50 -4.891 4.994 -4.595 413 HD12 LEU 50 2HD1 LEU 50 -4.316 6.477 -5.322 414 HD13 LEU 50 3HD1 LEU 50 -3.405 4.957 -5.537 415 HD21 LEU 50 3HD2 LEU 50 -2.529 4.665 -1.957 416 HD22 LEU 50 1HD2 LEU 50 -3.922 3.977 -2.769 417 HD23 LEU 50 2HD2 LEU 50 -2.308 3.866 -3.523 418 H GLU 51 HN GLU 51 -3.883 9.708 -3.544 419 HA GLU 51 HA GLU 51 -2.019 11.290 -1.871 420 HB2 GLU 51 2HB GLU 51 -4.727 11.751 -3.120 421 HB3 GLU 51 3HB GLU 51 -4.363 12.554 -1.600 422 HG2 GLU 51 2HG GLU 51 -2.419 12.826 -3.897 423 HG3 GLU 51 3HG GLU 51 -3.908 13.747 -3.879 424 H ASP 52 HN ASP 52 -1.896 10.719 0.239 425 HA ASP 52 HA ASP 52 -3.102 8.851 1.668 426 HB2 ASP 52 2HB ASP 52 -2.394 11.561 2.756 427 HB3 ASP 52 3HB ASP 52 -2.666 10.106 3.706 428 H GLY 53 HN GLY 53 -4.200 12.194 1.610 429 HA2 GLY 53 1HA GLY 53 -6.694 11.780 3.007 430 HA3 GLY 53 2HA GLY 53 -6.098 13.258 2.229 431 H ARG 54 HN ARG 54 -7.024 9.971 1.067 432 HA ARG 54 HA ARG 54 -9.265 11.181 -0.438 433 HE ARG 54 HE ARG 54 -10.438 10.359 -4.803 434 HB2 ARG 54 2HB ARG 54 -7.164 10.569 -1.962 435 HB3 ARG 54 3HB ARG 54 -7.624 8.916 -1.588 436 HG2 ARG 54 2HG ARG 54 -8.597 9.445 -3.706 437 HG3 ARG 54 3HG ARG 54 -9.917 9.397 -2.579 438 HD2 ARG 54 2HD ARG 54 -9.887 11.894 -2.457 439 HD3 ARG 54 3HD ARG 54 -8.508 11.896 -3.589 440 HH11 ARG 54 2HH2 ARG 54 -10.015 13.842 -4.218 441 HH12 ARG 54 1HH2 ARG 54 -11.469 14.252 -5.068 442 HH21 ARG 54 2HH1 ARG 54 -12.257 10.899 -5.922 443 HH22 ARG 54 1HH1 ARG 54 -12.753 12.544 -6.138 444 H THR 55 HN THR 55 -10.931 9.383 -0.922 445 HA THR 55 HA THR 55 -11.103 7.678 1.424 446 HB THR 55 HB THR 55 -13.032 7.716 -0.921 447 HG1 THR 55 HG1 THR 55 -12.742 9.675 1.138 448 HG21 THR 55 3HG2 THR 55 -13.376 7.527 2.111 449 HG22 THR 55 1HG2 THR 55 -14.677 7.497 0.918 450 HG23 THR 55 2HG2 THR 55 -13.505 6.170 0.982 451 H LEU 56 HN LEU 56 -11.088 5.439 1.439 452 HA LEU 56 HA LEU 56 -9.771 3.879 -0.562 453 HG LEU 56 HG LEU 56 -9.645 1.767 2.443 454 HB2 LEU 56 2HB LEU 56 -11.151 3.507 2.003 455 HB3 LEU 56 3HB LEU 56 -11.527 2.203 0.893 456 HD11 LEU 56 1HD1 LEU 56 -8.160 0.746 0.765 457 HD12 LEU 56 2HD1 LEU 56 -9.858 0.480 0.364 458 HD13 LEU 56 3HD1 LEU 56 -8.953 1.731 -0.494 459 HD21 LEU 56 3HD2 LEU 56 -8.734 4.171 2.214 460 HD22 LEU 56 1HD2 LEU 56 -7.557 2.847 2.272 461 HD23 LEU 56 2HD2 LEU 56 -7.967 3.612 0.723 462 H SER 57 HN SER 57 -13.142 4.749 -0.158 463 HA SER 57 HA SER 57 -14.282 2.987 -2.175 464 HG SER 57 HG SER 57 -15.649 2.935 -0.054 465 HB2 SER 57 2HB SER 57 -15.138 5.307 -0.478 466 HB3 SER 57 3HB SER 57 -16.036 5.011 -1.964 467 H ASP 58 HN ASP 58 -12.096 5.644 -2.571 468 HA ASP 58 HA ASP 58 -13.518 6.593 -4.989 469 HB2 ASP 58 2HB ASP 58 -12.567 8.205 -3.358 470 HB3 ASP 58 3HB ASP 58 -10.955 7.602 -3.725 471 H TYR 59 HN TYR 59 -10.104 5.828 -4.223 472 HA TYR 59 HA TYR 59 -9.513 4.897 -6.857 473 HD1 TYR 59 HD2 TYR 59 -7.989 6.734 -6.999 474 HD2 TYR 59 HD1 TYR 59 -7.181 5.565 -2.936 475 HE1 TYR 59 HE2 TYR 59 -7.006 8.942 -6.580 476 HE2 TYR 59 HE1 TYR 59 -6.004 7.717 -2.537 477 HH TYR 59 HH TYR 59 -6.258 10.394 -4.758 478 HB2 TYR 59 2HB TYR 59 -8.112 4.051 -4.317 479 HB3 TYR 59 3HB TYR 59 -7.438 4.134 -5.933 480 H ASN 60 HN ASN 60 -11.081 3.429 -4.243 481 HA ASN 60 HA ASN 60 -11.847 1.329 -3.837 482 HB2 ASN 60 2HB ASN 60 -13.474 2.732 -4.994 483 HB3 ASN 60 3HB ASN 60 -12.948 2.068 -6.549 484 HD21 ASN 60 1HD2 ASN 60 -14.163 0.169 -7.220 485 HD22 ASN 60 2HD2 ASN 60 -14.978 -0.845 -6.058 486 H ILE 61 HN ILE 61 -10.961 -0.481 -3.668 487 HA ILE 61 HA ILE 61 -10.278 -2.056 -6.048 488 HB ILE 61 HB ILE 61 -8.267 -2.708 -4.817 489 HG12 ILE 61 2HG1 ILE 61 -8.828 -2.062 -2.461 490 HG13 ILE 61 3HG1 ILE 61 -7.304 -1.448 -3.008 491 HG21 ILE 61 1HG2 ILE 61 -7.972 -1.105 -6.527 492 HG22 ILE 61 2HG2 ILE 61 -8.355 0.230 -5.462 493 HG23 ILE 61 3HG2 ILE 61 -6.881 -0.727 -5.204 494 HD11 ILE 61 3HD1 ILE 61 -8.554 0.837 -3.427 495 HD12 ILE 61 1HD1 ILE 61 -9.792 0.123 -2.357 496 HD13 ILE 61 2HD1 ILE 61 -8.106 0.294 -1.827 497 H GLN 62 HN GLN 62 -10.766 -4.204 -5.855 498 HA GLN 62 HA GLN 62 -10.901 -5.307 -3.164 499 HB2 GLN 62 2HB GLN 62 -13.324 -5.485 -4.984 500 HB3 GLN 62 3HB GLN 62 -12.951 -6.671 -3.726 501 HG2 GLN 62 2HG GLN 62 -12.731 -4.569 -2.151 502 HG3 GLN 62 3HG GLN 62 -13.689 -3.768 -3.401 503 HE21 GLN 62 1HE2 GLN 62 -14.882 -3.616 -1.164 504 HE22 GLN 62 2HE2 GLN 62 -16.108 -4.826 -0.892 505 H LYS 63 HN LYS 63 -9.180 -6.370 -3.456 506 HA LYS 63 HA LYS 63 -8.064 -8.246 -3.513 507 HB2 LYS 63 2HB LYS 63 -10.498 -9.115 -3.392 508 HB3 LYS 63 3HB LYS 63 -10.287 -9.559 -5.093 509 HG2 LYS 63 2HG LYS 63 -8.310 -10.915 -4.443 510 HG3 LYS 63 3HG LYS 63 -8.590 -10.524 -2.748 511 HD2 LYS 63 2HD LYS 63 -10.707 -11.855 -4.502 512 HD3 LYS 63 3HD LYS 63 -9.492 -12.775 -3.622 513 HE2 LYS 63 2HE LYS 63 -10.266 -11.538 -1.512 514 HE3 LYS 63 3HE LYS 63 -11.654 -10.975 -2.463 515 HZ1 LYS 63 3HZ LYS 63 -12.205 -13.331 -2.828 516 HZ2 LYS 63 1HZ LYS 63 -10.890 -13.779 -1.908 517 HZ3 LYS 63 2HZ LYS 63 -12.137 -12.979 -1.223 518 H GLU 64 HN GLU 64 -9.220 -7.193 -6.707 519 HA GLU 64 HA GLU 64 -6.803 -7.898 -8.131 520 HB2 GLU 64 2HB GLU 64 -8.743 -6.558 -9.066 521 HB3 GLU 64 3HB GLU 64 -8.289 -5.235 -7.996 522 HG2 GLU 64 2HG GLU 64 -6.069 -5.091 -9.162 523 HG3 GLU 64 3HG GLU 64 -6.545 -6.446 -10.178 524 H SER 65 HN SER 65 -7.727 -5.694 -5.577 525 HA SER 65 HA SER 65 -6.599 -3.540 -5.648 526 HG SER 65 HG SER 65 -8.176 -4.801 -2.519 527 HB2 SER 65 2HB SER 65 -6.082 -5.176 -3.150 528 HB3 SER 65 3HB SER 65 -6.367 -3.437 -3.204 529 H THR 66 HN THR 66 -4.467 -5.708 -3.864 530 HA THR 66 HA THR 66 -2.212 -5.661 -3.596 531 HB THR 66 HB THR 66 -2.683 -6.169 -6.538 532 HG1 THR 66 HG1 THR 66 -3.243 -8.155 -5.946 533 HG21 THR 66 3HG2 THR 66 -0.931 -7.946 -6.186 534 HG22 THR 66 1HG2 THR 66 -0.317 -6.297 -6.098 535 HG23 THR 66 2HG2 THR 66 -0.590 -7.217 -4.611 536 H LEU 67 HN LEU 67 -2.077 -3.405 -3.019 537 HA LEU 67 HA LEU 67 -1.144 -1.592 -5.040 538 HG LEU 67 HG LEU 67 -1.036 -0.315 -1.025 539 HB2 LEU 67 2HB LEU 67 -0.827 0.005 -3.387 540 HB3 LEU 67 3HB LEU 67 -2.236 -0.858 -2.899 541 HD11 LEU 67 1HD1 LEU 67 -2.090 -2.452 -0.859 542 HD12 LEU 67 2HD1 LEU 67 -0.636 -3.271 -1.494 543 HD13 LEU 67 3HD1 LEU 67 -0.572 -2.436 0.071 544 HD21 LEU 67 3HD2 LEU 67 1.205 -0.112 -2.261 545 HD22 LEU 67 1HD2 LEU 67 1.183 -0.572 -0.556 546 HD23 LEU 67 2HD2 LEU 67 1.452 -1.806 -1.781 547 H HIS 68 HN HIS 68 0.922 -0.817 -5.234 548 HA HIS 68 HA HIS 68 2.976 -2.937 -5.176 549 HD1 HIS 68 HD1 HIS 68 0.483 -3.200 -6.709 550 HD2 HIS 68 HD2 HIS 68 2.231 -0.371 -9.309 551 HE1 HIS 68 HE1 HIS 68 -0.966 -3.126 -8.716 552 HB2 HIS 68 2HB HIS 68 2.957 -0.289 -6.687 553 HB3 HIS 68 3HB HIS 68 3.817 -1.756 -7.103 554 H LEU 69 HN LEU 69 4.846 -2.538 -3.932 555 HA LEU 69 HA LEU 69 5.098 0.096 -2.578 556 HG LEU 69 HG LEU 69 5.929 -2.044 0.257 557 HB2 LEU 69 2HB LEU 69 6.004 -2.662 -2.017 558 HB3 LEU 69 3HB LEU 69 7.232 -1.450 -1.757 559 HD11 LEU 69 1HD1 LEU 69 5.425 0.425 0.807 560 HD12 LEU 69 2HD1 LEU 69 7.080 -0.029 0.381 561 HD13 LEU 69 3HD1 LEU 69 6.064 0.799 -0.795 562 HD21 LEU 69 3HD2 LEU 69 3.676 -1.323 0.569 563 HD22 LEU 69 1HD2 LEU 69 3.612 -0.572 -1.035 564 HD23 LEU 69 2HD2 LEU 69 3.725 -2.348 -0.872 565 H VAL 70 HN VAL 70 5.792 1.497 -4.037 566 HA VAL 70 HA VAL 70 7.949 0.907 -5.907 567 HB VAL 70 HB VAL 70 6.429 3.477 -5.268 568 HG11 VAL 70 1HG1 VAL 70 8.616 3.883 -6.364 569 HG12 VAL 70 2HG1 VAL 70 8.200 2.711 -7.631 570 HG13 VAL 70 3HG1 VAL 70 7.290 4.213 -7.489 571 HG21 VAL 70 3HG2 VAL 70 5.188 3.025 -7.360 572 HG22 VAL 70 1HG2 VAL 70 6.012 1.456 -7.524 573 HG23 VAL 70 2HG2 VAL 70 4.889 1.752 -6.185 574 H LEU 71 HN LEU 71 9.419 0.221 -4.270 575 HA LEU 71 HA LEU 71 10.442 2.140 -2.291 576 HG LEU 71 HG LEU 71 11.936 -0.727 -0.599 577 HB2 LEU 71 2HB LEU 71 10.759 -0.710 -2.762 578 HB3 LEU 71 3HB LEU 71 12.345 0.029 -2.804 579 HD11 LEU 71 1HD1 LEU 71 12.285 1.212 0.758 580 HD12 LEU 71 2HD1 LEU 71 13.118 1.452 -0.784 581 HD13 LEU 71 3HD1 LEU 71 11.580 2.289 -0.458 582 HD21 LEU 71 3HD2 LEU 71 9.373 0.895 -0.583 583 HD22 LEU 71 1HD2 LEU 71 9.501 -0.860 -0.644 584 HD23 LEU 71 2HD2 LEU 71 10.048 0.023 0.800 585 H ARG 72 HN ARG 72 11.583 0.598 -5.282 586 HA ARG 72 HA ARG 72 13.200 0.970 -6.777 587 HE ARG 72 HE ARG 72 12.544 4.434 -9.589 588 HB2 ARG 72 2HB ARG 72 12.610 3.890 -6.215 589 HB3 ARG 72 3HB ARG 72 13.673 3.320 -7.488 590 HG2 ARG 72 2HG ARG 72 11.892 2.217 -8.662 591 HG3 ARG 72 3HG ARG 72 10.842 2.276 -7.245 592 HD2 ARG 72 2HD ARG 72 9.967 3.841 -8.757 593 HD3 ARG 72 3HD ARG 72 10.704 4.719 -7.406 594 HH11 ARG 72 2HH2 ARG 72 9.824 6.395 -8.423 595 HH12 ARG 72 1HH2 ARG 72 10.151 7.731 -9.471 596 HH21 ARG 72 2HH1 ARG 72 12.855 6.121 -11.124 597 HH22 ARG 72 1HH1 ARG 72 12.027 7.640 -10.924 598 H LEU 73 HN LEU 73 13.892 3.351 -4.272 599 HA LEU 73 HA LEU 73 15.590 3.826 -2.962 600 HG LEU 73 HG LEU 73 18.106 2.565 -2.021 601 HB2 LEU 73 2HB LEU 73 15.318 1.375 -2.385 602 HB3 LEU 73 3HB LEU 73 16.680 1.045 -3.453 603 HD11 LEU 73 1HD1 LEU 73 15.673 2.529 -0.182 604 HD12 LEU 73 2HD1 LEU 73 17.293 3.066 0.279 605 HD13 LEU 73 3HD1 LEU 73 16.393 3.968 -0.940 606 HD21 LEU 73 3HD2 LEU 73 16.734 0.204 -0.647 607 HD22 LEU 73 1HD2 LEU 73 18.126 0.113 -1.742 608 HD23 LEU 73 2HD2 LEU 73 18.297 0.903 -0.175 609 H ARG 74 HN ARG 74 17.153 5.191 -3.333 610 HA ARG 74 HA ARG 74 18.761 6.398 -4.371 611 HE ARG 74 HE ARG 74 24.249 5.923 -3.349 612 HB2 ARG 74 2HB ARG 74 19.838 4.291 -3.186 613 HB3 ARG 74 3HB ARG 74 20.307 3.833 -4.807 614 HG2 ARG 74 2HG ARG 74 21.648 5.812 -5.084 615 HG3 ARG 74 3HG ARG 74 20.873 6.611 -3.709 616 HD2 ARG 74 2HD ARG 74 21.881 4.809 -2.195 617 HD3 ARG 74 3HD ARG 74 22.770 4.230 -3.585 618 HH11 ARG 74 2HH2 ARG 74 21.360 6.860 -1.493 619 HH12 ARG 74 1HH2 ARG 74 22.020 8.341 -0.888 620 HH21 ARG 74 2HH1 ARG 74 25.209 7.810 -2.447 621 HH22 ARG 74 1HH1 ARG 74 24.267 8.952 -1.571 622 H GLY 75 HN GLY 75 16.780 6.138 -6.191 623 HA2 GLY 75 1HA GLY 75 16.453 6.575 -8.435 624 HA3 GLY 75 2HA GLY 75 18.213 6.511 -8.673 625 H GLY 76 HN GLY 76 18.471 5.124 -10.346 626 HA2 GLY 76 1HA GLY 76 18.708 3.147 -11.456 627 HA3 GLY 76 2HA GLY 76 18.102 2.300 -10.033 Start of MODEL 6 1 HA MET 1 HA MET 1 -11.695 -8.330 2.949 2 H1 MET 1 HN MET 1 -11.351 -6.651 4.623 3 HB2 MET 1 2HB MET 1 -11.086 -8.003 0.644 4 HB3 MET 1 3HB MET 1 -12.189 -6.739 1.118 5 HG2 MET 1 2HG MET 1 -9.286 -6.071 1.343 6 HG3 MET 1 3HG MET 1 -9.872 -6.406 -0.281 7 HE1 MET 1 3HE MET 1 -8.831 -3.403 1.375 8 HE2 MET 1 1HE MET 1 -8.688 -3.902 -0.324 9 HE3 MET 1 2HE MET 1 -9.601 -2.432 0.100 10 H GLN 2 HN GLN 2 -9.477 -9.134 1.399 11 HA GLN 2 HA GLN 2 -7.084 -8.402 2.962 12 HB2 GLN 2 2HB GLN 2 -7.993 -11.163 2.149 13 HB3 GLN 2 3HB GLN 2 -6.278 -10.786 2.362 14 HG2 GLN 2 2HG GLN 2 -6.465 -10.382 4.653 15 HG3 GLN 2 3HG GLN 2 -8.189 -10.051 4.568 16 HE21 GLN 2 1HE2 GLN 2 -6.540 -12.970 3.189 17 HE22 GLN 2 2HE2 GLN 2 -7.445 -14.063 4.213 18 H ILE 3 HN ILE 3 -5.222 -8.193 1.708 19 HA ILE 3 HA ILE 3 -5.513 -8.305 -1.226 20 HB ILE 3 HB ILE 3 -5.812 -6.201 -1.527 21 HG12 ILE 3 2HG1 ILE 3 -3.535 -5.509 -1.504 22 HG13 ILE 3 3HG1 ILE 3 -4.541 -4.286 -0.795 23 HG21 ILE 3 1HG2 ILE 3 -6.464 -4.603 0.259 24 HG22 ILE 3 2HG2 ILE 3 -7.325 -6.122 0.245 25 HG23 ILE 3 3HG2 ILE 3 -6.061 -5.843 1.457 26 HD11 ILE 3 3HD1 ILE 3 -2.578 -5.998 0.673 27 HD12 ILE 3 1HD1 ILE 3 -2.650 -4.248 0.536 28 HD13 ILE 3 2HD1 ILE 3 -3.859 -5.078 1.503 29 H PHE 4 HN PHE 4 -3.350 -7.833 -2.317 30 HA PHE 4 HA PHE 4 -1.198 -9.028 -0.652 31 HD1 PHE 4 HD2 PHE 4 -1.621 -11.700 -1.044 32 HD2 PHE 4 HD1 PHE 4 -3.314 -9.688 -4.490 33 HE1 PHE 4 HE2 PHE 4 -3.412 -13.404 -1.174 34 HE2 PHE 4 HE1 PHE 4 -5.115 -11.374 -4.562 35 HZ PHE 4 HZ PHE 4 -5.167 -13.244 -2.918 36 HB2 PHE 4 2HB PHE 4 -1.299 -8.942 -3.655 37 HB3 PHE 4 3HB PHE 4 -0.280 -9.945 -2.634 38 H VAL 5 HN VAL 5 1.014 -8.287 -2.168 39 HA VAL 5 HA VAL 5 1.145 -5.366 -1.920 40 HB VAL 5 HB VAL 5 1.518 -7.351 0.197 41 HG11 VAL 5 1HG1 VAL 5 3.658 -6.366 1.159 42 HG12 VAL 5 2HG1 VAL 5 3.740 -7.626 -0.080 43 HG13 VAL 5 3HG1 VAL 5 4.056 -5.972 -0.528 44 HG21 VAL 5 3HG2 VAL 5 0.146 -5.444 0.545 45 HG22 VAL 5 1HG2 VAL 5 1.511 -5.385 1.662 46 HG23 VAL 5 2HG2 VAL 5 1.497 -4.345 0.228 47 H LYS 6 HN LYS 6 2.871 -4.632 -3.182 48 HA LYS 6 HA LYS 6 4.686 -6.699 -4.322 49 HB2 LYS 6 2HB LYS 6 3.274 -4.521 -5.850 50 HB3 LYS 6 3HB LYS 6 4.564 -5.551 -6.478 51 HG2 LYS 6 2HG LYS 6 2.019 -6.691 -5.324 52 HG3 LYS 6 3HG LYS 6 2.120 -6.136 -6.969 53 HD2 LYS 6 2HD LYS 6 4.239 -8.106 -6.225 54 HD3 LYS 6 3HD LYS 6 2.584 -8.685 -6.157 55 HE2 LYS 6 2HE LYS 6 3.168 -9.181 -8.350 56 HE3 LYS 6 3HE LYS 6 2.197 -7.710 -8.473 57 HZ1 LYS 6 3HZ LYS 6 4.027 -7.462 -9.849 58 HZ2 LYS 6 1HZ LYS 6 4.357 -6.486 -8.599 59 HZ3 LYS 6 2HZ LYS 6 5.140 -7.938 -8.735 60 H THR 7 HN THR 7 6.350 -6.143 -3.030 61 HA THR 7 HA THR 7 7.541 -3.448 -3.406 62 HB THR 7 HB THR 7 7.334 -4.018 -1.129 63 HG1 THR 7 HG1 THR 7 9.343 -3.884 -0.486 64 HG21 THR 7 3HG2 THR 7 6.936 -6.384 -1.055 65 HG22 THR 7 1HG2 THR 7 8.558 -6.725 -1.716 66 HG23 THR 7 2HG2 THR 7 8.369 -6.033 -0.100 67 H LEU 8 HN LEU 8 9.895 -3.698 -3.805 68 HA LEU 8 HA LEU 8 11.355 -4.203 -5.588 69 HG LEU 8 HG LEU 8 14.088 -5.187 -3.334 70 HB2 LEU 8 2HB LEU 8 11.795 -4.628 -3.018 71 HB3 LEU 8 3HB LEU 8 11.943 -6.304 -3.491 72 HD11 LEU 8 1HD1 LEU 8 13.878 -6.956 -5.025 73 HD12 LEU 8 2HD1 LEU 8 13.502 -5.735 -6.262 74 HD13 LEU 8 3HD1 LEU 8 15.082 -5.730 -5.472 75 HD21 LEU 8 3HD2 LEU 8 13.309 -2.864 -3.882 76 HD22 LEU 8 1HD2 LEU 8 14.809 -3.348 -4.682 77 HD23 LEU 8 2HD2 LEU 8 13.303 -3.311 -5.601 78 H THR 9 HN THR 9 10.714 -7.588 -4.506 79 HA THR 9 HA THR 9 10.168 -8.338 -7.315 80 HB THR 9 HB THR 9 11.929 -9.947 -5.411 81 HG1 THR 9 HG1 THR 9 12.627 -8.260 -7.584 82 HG21 THR 9 3HG2 THR 9 10.921 -11.377 -7.154 83 HG22 THR 9 1HG2 THR 9 11.456 -10.220 -8.405 84 HG23 THR 9 2HG2 THR 9 12.634 -11.144 -7.483 85 H GLY 10 HN GLY 10 8.964 -10.383 -7.453 86 HA2 GLY 10 1HA GLY 10 6.575 -10.375 -6.176 87 HA3 GLY 10 2HA GLY 10 7.269 -11.809 -6.921 88 H LYS 11 HN LYS 11 6.225 -10.373 -4.068 89 HA LYS 11 HA LYS 11 7.018 -12.538 -2.245 90 HB2 LYS 11 2HB LYS 11 8.829 -10.614 -2.469 91 HB3 LYS 11 3HB LYS 11 7.679 -9.616 -1.614 92 HG2 LYS 11 2HG LYS 11 9.270 -11.990 -0.673 93 HG3 LYS 11 3HG LYS 11 9.243 -10.342 -0.085 94 HD2 LYS 11 2HD LYS 11 8.139 -11.307 1.628 95 HD3 LYS 11 3HD LYS 11 6.744 -10.942 0.620 96 HE2 LYS 11 2HE LYS 11 6.840 -13.289 -0.268 97 HE3 LYS 11 3HE LYS 11 8.304 -13.589 0.676 98 HZ1 LYS 11 3HZ LYS 11 6.990 -13.268 2.684 99 HZ2 LYS 11 1HZ LYS 11 5.628 -13.015 1.767 100 HZ3 LYS 11 2HZ LYS 11 6.398 -14.475 1.751 101 H THR 12 HN THR 12 4.912 -12.958 -1.486 102 HA THR 12 HA THR 12 2.969 -10.733 -1.338 103 HB THR 12 HB THR 12 2.639 -13.766 -1.178 104 HG1 THR 12 HG1 THR 12 2.328 -11.835 -3.236 105 HG21 THR 12 3HG2 THR 12 0.708 -12.842 -0.139 106 HG22 THR 12 1HG2 THR 12 0.680 -11.445 -1.259 107 HG23 THR 12 2HG2 THR 12 0.243 -13.071 -1.817 108 H ILE 13 HN ILE 13 1.362 -11.133 0.721 109 HA ILE 13 HA ILE 13 3.074 -11.528 3.080 110 HB ILE 13 HB ILE 13 3.374 -9.213 1.929 111 HG12 ILE 13 2HG1 ILE 13 2.850 -8.943 4.869 112 HG13 ILE 13 3HG1 ILE 13 4.055 -10.097 4.328 113 HG21 ILE 13 1HG2 ILE 13 0.902 -8.662 1.835 114 HG22 ILE 13 2HG2 ILE 13 0.939 -8.494 3.595 115 HG23 ILE 13 3HG2 ILE 13 1.922 -7.424 2.615 116 HD11 ILE 13 3HD1 ILE 13 5.239 -8.381 3.049 117 HD12 ILE 13 1HD1 ILE 13 4.036 -7.167 3.523 118 HD13 ILE 13 2HD1 ILE 13 5.073 -7.909 4.751 119 H THR 14 HN THR 14 -0.158 -10.875 1.872 120 HA THR 14 HA THR 14 -2.197 -11.237 2.702 121 HB THR 14 HB THR 14 -1.307 -12.226 5.402 122 HG1 THR 14 HG1 THR 14 0.010 -13.404 4.287 123 HG21 THR 14 3HG2 THR 14 -3.231 -13.695 5.035 124 HG22 THR 14 1HG2 THR 14 -3.707 -12.020 4.755 125 HG23 THR 14 2HG2 THR 14 -3.405 -13.116 3.367 126 H LEU 15 HN LEU 15 -3.452 -9.482 3.364 127 HA LEU 15 HA LEU 15 -2.388 -7.701 5.455 128 HG LEU 15 HG LEU 15 -1.266 -4.980 3.103 129 HB2 LEU 15 2HB LEU 15 -1.338 -7.386 3.023 130 HB3 LEU 15 3HB LEU 15 -2.895 -6.704 2.657 131 HD11 LEU 15 1HD1 LEU 15 -3.128 -5.083 5.496 132 HD12 LEU 15 2HD1 LEU 15 -2.353 -3.649 4.804 133 HD13 LEU 15 3HD1 LEU 15 -3.579 -4.518 3.876 134 HD21 LEU 15 3HD2 LEU 15 0.254 -6.327 4.501 135 HD22 LEU 15 1HD2 LEU 15 -0.142 -4.781 5.247 136 HD23 LEU 15 2HD2 LEU 15 -0.896 -6.229 5.867 137 H GLU 16 HN GLU 16 -4.120 -7.291 6.632 138 HA GLU 16 HA GLU 16 -6.806 -7.843 5.713 139 HB2 GLU 16 2HB GLU 16 -5.465 -7.142 8.346 140 HB3 GLU 16 3HB GLU 16 -7.180 -7.543 8.234 141 HG2 GLU 16 2HG GLU 16 -6.817 -9.780 7.870 142 HG3 GLU 16 3HG GLU 16 -5.280 -9.544 7.051 143 H VAL 17 HN VAL 17 -6.482 -5.711 4.250 144 HA VAL 17 HA VAL 17 -7.569 -3.430 5.861 145 HB VAL 17 HB VAL 17 -5.387 -2.959 4.872 146 HG11 VAL 17 1HG1 VAL 17 -6.760 -3.163 2.181 147 HG12 VAL 17 2HG1 VAL 17 -5.112 -2.568 2.495 148 HG13 VAL 17 3HG1 VAL 17 -5.523 -4.257 2.816 149 HG21 VAL 17 3HG2 VAL 17 -5.875 -0.827 4.175 150 HG22 VAL 17 1HG2 VAL 17 -7.461 -1.233 3.485 151 HG23 VAL 17 2HG2 VAL 17 -7.215 -1.209 5.247 152 H GLU 18 HN GLU 18 -9.103 -2.087 4.775 153 HA GLU 18 HA GLU 18 -10.962 -3.683 3.203 154 HB2 GLU 18 2HB GLU 18 -12.659 -3.290 4.880 155 HB3 GLU 18 3HB GLU 18 -11.262 -4.003 5.625 156 HG2 GLU 18 2HG GLU 18 -11.826 -2.317 7.129 157 HG3 GLU 18 3HG GLU 18 -10.515 -1.568 6.217 158 HA PRO 19 HA PRO 19 -11.542 0.170 1.209 159 HB2 PRO 19 2HB PRO 19 -13.914 -0.148 -0.017 160 HB3 PRO 19 3HB PRO 19 -12.583 -1.313 -0.280 161 HG2 PRO 19 2HG PRO 19 -14.963 -1.607 1.538 162 HG3 PRO 19 3HG PRO 19 -14.221 -2.825 0.449 163 HD2 PRO 19 2HD PRO 19 -13.717 -2.466 3.197 164 HD3 PRO 19 3HD PRO 19 -12.705 -3.404 2.074 165 H SER 20 HN SER 20 -12.064 2.147 1.753 166 HA SER 20 HA SER 20 -13.338 4.022 2.372 167 HG SER 20 HG SER 20 -16.476 2.978 3.449 168 HB2 SER 20 2HB SER 20 -14.557 2.267 4.498 169 HB3 SER 20 3HB SER 20 -14.706 4.007 4.378 170 H ASP 21 HN ASP 21 -11.242 1.822 4.178 171 HA ASP 21 HA ASP 21 -10.140 3.504 6.013 172 HB2 ASP 21 2HB ASP 21 -9.432 1.114 4.703 173 HB3 ASP 21 3HB ASP 21 -8.076 2.174 4.386 174 H THR 22 HN THR 22 -7.804 4.624 5.833 175 HA THR 22 HA THR 22 -7.764 6.479 3.487 176 HB THR 22 HB THR 22 -6.538 7.993 5.121 177 HG1 THR 22 HG1 THR 22 -7.831 6.486 7.126 178 HG21 THR 22 3HG2 THR 22 -8.601 8.828 6.197 179 HG22 THR 22 1HG2 THR 22 -8.818 8.469 4.477 180 HG23 THR 22 2HG2 THR 22 -9.451 7.349 5.690 181 H ILE 23 HN ILE 23 -5.411 7.339 3.045 182 HA ILE 23 HA ILE 23 -4.004 4.870 2.486 183 HB ILE 23 HB ILE 23 -3.718 7.682 1.693 184 HG12 ILE 23 2HG1 ILE 23 -3.878 6.886 -0.561 185 HG13 ILE 23 3HG1 ILE 23 -3.706 5.210 -0.025 186 HG21 ILE 23 1HG2 ILE 23 -1.424 5.881 0.973 187 HG22 ILE 23 2HG2 ILE 23 -1.729 7.523 0.411 188 HG23 ILE 23 3HG2 ILE 23 -1.376 7.229 2.108 189 HD11 ILE 23 3HD1 ILE 23 -6.062 7.037 0.538 190 HD12 ILE 23 1HD1 ILE 23 -5.973 5.687 -0.634 191 HD13 ILE 23 2HD1 ILE 23 -5.905 5.340 1.073 192 H GLU 24 HN GLU 24 -3.626 7.600 4.699 193 HA GLU 24 HA GLU 24 -1.189 6.878 5.921 194 HB2 GLU 24 2HB GLU 24 -2.135 7.924 7.960 195 HB3 GLU 24 3HB GLU 24 -2.228 8.916 6.512 196 HG2 GLU 24 2HG GLU 24 -4.627 8.407 6.273 197 HG3 GLU 24 3HG GLU 24 -4.562 7.365 7.699 198 H ASN 25 HN ASN 25 -4.475 5.678 6.849 199 HA ASN 25 HA ASN 25 -3.442 3.876 8.777 200 HB2 ASN 25 2HB ASN 25 -5.978 4.717 7.917 201 HB3 ASN 25 3HB ASN 25 -5.986 2.993 7.582 202 HD21 ASN 25 1HD2 ASN 25 -6.138 1.526 9.490 203 HD22 ASN 25 2HD2 ASN 25 -6.041 2.175 11.103 204 H VAL 26 HN VAL 26 -4.137 3.421 5.369 205 HA VAL 26 HA VAL 26 -3.654 0.557 5.291 206 HB VAL 26 HB VAL 26 -3.610 2.772 3.229 207 HG11 VAL 26 1HG1 VAL 26 -3.493 -0.237 2.802 208 HG12 VAL 26 2HG1 VAL 26 -3.813 0.962 1.521 209 HG13 VAL 26 3HG1 VAL 26 -2.264 0.973 2.355 210 HG21 VAL 26 3HG2 VAL 26 -5.820 2.645 3.230 211 HG22 VAL 26 1HG2 VAL 26 -5.777 0.943 2.808 212 HG23 VAL 26 2HG2 VAL 26 -5.793 1.445 4.505 213 H LYS 27 HN LYS 27 -1.555 3.468 4.600 214 HA LYS 27 HA LYS 27 0.719 1.862 4.031 215 HB2 LYS 27 2HB LYS 27 1.928 3.673 3.738 216 HB3 LYS 27 3HB LYS 27 0.348 4.279 3.340 217 HG2 LYS 27 2HG LYS 27 0.545 5.942 4.793 218 HG3 LYS 27 3HG LYS 27 0.929 4.874 6.128 219 HD2 LYS 27 2HD LYS 27 2.758 6.338 5.924 220 HD3 LYS 27 3HD LYS 27 3.310 4.779 5.297 221 HE2 LYS 27 2HE LYS 27 2.679 5.707 2.949 222 HE3 LYS 27 3HE LYS 27 2.498 7.275 3.746 223 HZ1 LYS 27 3HZ LYS 27 4.882 7.053 4.432 224 HZ2 LYS 27 1HZ LYS 27 4.982 5.665 3.534 225 HZ3 LYS 27 2HZ LYS 27 4.698 7.084 2.820 226 H ALA 28 HN ALA 28 -0.451 3.263 7.003 227 HA ALA 28 HA ALA 28 1.514 2.492 8.804 228 HB1 ALA 28 1HB ALA 28 -0.358 3.982 9.251 229 HB2 ALA 28 2HB ALA 28 -1.500 2.632 9.136 230 HB3 ALA 28 3HB ALA 28 -0.290 2.673 10.431 231 H LYS 29 HN LYS 29 -1.380 0.619 7.660 232 HA LYS 29 HA LYS 29 -0.930 -1.598 9.403 233 HB2 LYS 29 2HB LYS 29 -3.018 -1.112 8.199 234 HB3 LYS 29 3HB LYS 29 -2.263 -1.527 6.654 235 HG2 LYS 29 2HG LYS 29 -1.923 -3.827 7.340 236 HG3 LYS 29 3HG LYS 29 -2.426 -3.462 9.004 237 HD2 LYS 29 2HD LYS 29 -4.251 -3.005 6.651 238 HD3 LYS 29 3HD LYS 29 -4.177 -4.577 7.484 239 HE2 LYS 29 2HE LYS 29 -4.990 -3.732 9.503 240 HE3 LYS 29 3HE LYS 29 -4.511 -2.072 9.132 241 HZ1 LYS 29 3HZ LYS 29 -6.882 -2.380 8.983 242 HZ2 LYS 29 1HZ LYS 29 -6.243 -1.884 7.578 243 HZ3 LYS 29 2HZ LYS 29 -6.742 -3.476 7.806 244 H ILE 30 HN ILE 30 0.210 -0.866 6.136 245 HA ILE 30 HA ILE 30 1.380 -3.477 5.786 246 HB ILE 30 HB ILE 30 2.062 -1.008 4.166 247 HG12 ILE 30 2HG1 ILE 30 -0.138 -2.782 3.156 248 HG13 ILE 30 3HG1 ILE 30 -0.623 -1.760 4.452 249 HG21 ILE 30 1HG2 ILE 30 3.298 -3.115 3.650 250 HG22 ILE 30 2HG2 ILE 30 1.764 -3.963 3.444 251 HG23 ILE 30 3HG2 ILE 30 2.230 -2.663 2.325 252 HD11 ILE 30 3HD1 ILE 30 -0.007 0.213 3.243 253 HD12 ILE 30 1HD1 ILE 30 0.784 -0.765 1.996 254 HD13 ILE 30 2HD1 ILE 30 -0.971 -0.853 2.218 255 H GLN 31 HN GLN 31 2.719 -0.212 6.550 256 HA GLN 31 HA GLN 31 5.418 -1.003 6.522 257 HB2 GLN 31 2HB GLN 31 5.913 1.105 7.514 258 HB3 GLN 31 3HB GLN 31 4.535 1.334 6.504 259 HG2 GLN 31 2HG GLN 31 3.946 2.595 8.290 260 HG3 GLN 31 3HG GLN 31 3.100 1.098 8.593 261 HE21 GLN 31 1HE2 GLN 31 6.045 2.904 9.480 262 HE22 GLN 31 2HE2 GLN 31 6.202 2.223 11.088 263 H ASP 32 HN ASP 32 3.022 -0.986 9.124 264 HA ASP 32 HA ASP 32 4.492 -2.010 11.251 265 HB2 ASP 32 2HB ASP 32 2.373 -0.947 11.463 266 HB3 ASP 32 3HB ASP 32 1.591 -2.109 10.397 267 H LYS 33 HN LYS 33 2.293 -3.814 9.035 268 HA LYS 33 HA LYS 33 2.939 -6.283 10.296 269 HB2 LYS 33 2HB LYS 33 0.816 -5.750 9.158 270 HB3 LYS 33 3HB LYS 33 1.600 -5.805 7.591 271 HG2 LYS 33 2HG LYS 33 1.739 -8.182 9.490 272 HG3 LYS 33 3HG LYS 33 0.248 -7.835 8.589 273 HD2 LYS 33 2HD LYS 33 1.345 -8.051 6.458 274 HD3 LYS 33 3HD LYS 33 2.932 -8.188 7.208 275 HE2 LYS 33 2HE LYS 33 2.256 -10.401 6.608 276 HE3 LYS 33 3HE LYS 33 2.218 -10.273 8.368 277 HZ1 LYS 33 3HZ LYS 33 -0.136 -10.123 6.585 278 HZ2 LYS 33 1HZ LYS 33 0.296 -11.428 7.457 279 HZ3 LYS 33 2HZ LYS 33 -0.201 -10.065 8.231 280 H GLU 34 HN GLU 34 4.392 -4.611 7.508 281 HA GLU 34 HA GLU 34 5.969 -6.965 6.759 282 HB2 GLU 34 2HB GLU 34 5.196 -5.274 5.089 283 HB3 GLU 34 3HB GLU 34 6.216 -4.051 5.878 284 HG2 GLU 34 2HG GLU 34 8.228 -5.344 5.329 285 HG3 GLU 34 3HG GLU 34 7.249 -6.697 4.754 286 H GLY 35 HN GLY 35 6.314 -4.178 8.928 287 HA2 GLY 35 1HA GLY 35 7.852 -3.865 10.606 288 HA3 GLY 35 2HA GLY 35 8.781 -5.276 10.063 289 H ILE 36 HN ILE 36 7.828 -1.961 9.069 290 HA ILE 36 HA ILE 36 10.523 -1.162 8.373 291 HB ILE 36 HB ILE 36 9.834 -2.360 6.370 292 HG12 ILE 36 2HG1 ILE 36 9.644 0.608 5.852 293 HG13 ILE 36 3HG1 ILE 36 11.135 -0.351 5.977 294 HG21 ILE 36 1HG2 ILE 36 7.359 -2.255 6.691 295 HG22 ILE 36 2HG2 ILE 36 7.431 -0.589 6.055 296 HG23 ILE 36 3HG2 ILE 36 7.904 -1.992 5.062 297 HD11 ILE 36 3HD1 ILE 36 10.229 -1.752 4.027 298 HD12 ILE 36 1HD1 ILE 36 9.039 -0.449 3.797 299 HD13 ILE 36 2HD1 ILE 36 10.763 -0.109 3.661 300 HA PRO 37 HA PRO 37 8.169 2.443 9.640 301 HB2 PRO 37 2HB PRO 37 9.895 4.518 9.204 302 HB3 PRO 37 3HB PRO 37 10.153 3.272 10.448 303 HG2 PRO 37 2HG PRO 37 11.309 3.404 7.656 304 HG3 PRO 37 3HG PRO 37 12.171 3.110 9.204 305 HD2 PRO 37 2HD PRO 37 11.394 1.077 7.560 306 HD3 PRO 37 3HD PRO 37 11.396 0.897 9.331 307 HA PRO 38 HA PRO 38 6.116 4.304 6.137 308 HB2 PRO 38 2HB PRO 38 5.863 6.968 7.355 309 HB3 PRO 38 3HB PRO 38 4.609 5.723 7.136 310 HG2 PRO 38 2HG PRO 38 5.620 6.459 9.594 311 HG3 PRO 38 3HG PRO 38 4.947 4.838 9.235 312 HD2 PRO 38 2HD PRO 38 7.839 5.704 9.255 313 HD3 PRO 38 3HD PRO 38 7.127 4.264 9.961 314 H ASP 39 HN ASP 39 8.878 5.964 7.441 315 HA ASP 39 HA ASP 39 9.451 7.932 5.522 316 HB2 ASP 39 2HB ASP 39 10.429 7.404 7.845 317 HB3 ASP 39 3HB ASP 39 11.453 6.219 7.043 318 H GLN 40 HN GLN 40 9.945 4.446 5.535 319 HA GLN 40 HA GLN 40 11.225 4.502 2.862 320 HB2 GLN 40 2HB GLN 40 10.695 2.146 4.699 321 HB3 GLN 40 3HB GLN 40 11.500 2.104 3.126 322 HG2 GLN 40 2HG GLN 40 13.056 3.939 4.375 323 HG3 GLN 40 3HG GLN 40 12.525 3.037 5.788 324 HE21 GLN 40 1HE2 GLN 40 13.895 1.250 6.313 325 HE22 GLN 40 2HE2 GLN 40 14.899 0.423 5.151 326 H GLN 41 HN GLN 41 8.462 2.885 4.565 327 HA GLN 41 HA GLN 41 7.489 1.624 2.414 328 HB2 GLN 41 2HB GLN 41 6.820 1.412 4.894 329 HB3 GLN 41 3HB GLN 41 5.647 2.694 4.596 330 HG2 GLN 41 2HG GLN 41 4.411 0.673 4.387 331 HG3 GLN 41 3HG GLN 41 4.695 1.173 2.720 332 HE21 GLN 41 1HE2 GLN 41 4.801 -1.609 4.705 333 HE22 GLN 41 2HE2 GLN 41 6.030 -2.434 3.749 334 H ARG 42 HN ARG 42 7.162 2.449 0.484 335 HA ARG 42 HA ARG 42 5.610 4.929 0.021 336 HE ARG 42 HE ARG 42 3.938 6.580 -1.799 337 HB2 ARG 42 2HB ARG 42 7.658 3.584 -1.370 338 HB3 ARG 42 3HB ARG 42 6.235 3.118 -2.295 339 HG2 ARG 42 2HG ARG 42 6.987 6.001 -1.583 340 HG3 ARG 42 3HG ARG 42 7.490 5.183 -3.045 341 HD2 ARG 42 2HD ARG 42 5.638 5.899 -4.057 342 HD3 ARG 42 3HD ARG 42 4.730 4.786 -3.079 343 HH11 ARG 42 2HH2 ARG 42 6.696 7.713 -3.764 344 HH12 ARG 42 1HH2 ARG 42 6.426 9.381 -3.283 345 HH21 ARG 42 2HH1 ARG 42 3.612 8.902 -1.347 346 HH22 ARG 42 1HH1 ARG 42 4.797 9.999 -2.003 347 H LEU 43 HN LEU 43 3.439 4.821 -0.960 348 HA LEU 43 HA LEU 43 2.246 2.120 -1.254 349 HG LEU 43 HG LEU 43 0.178 2.856 1.731 350 HB2 LEU 43 2HB LEU 43 1.507 4.376 0.532 351 HB3 LEU 43 3HB LEU 43 0.191 3.936 -0.490 352 HD11 LEU 43 1HD1 LEU 43 -0.504 0.694 0.713 353 HD12 LEU 43 2HD1 LEU 43 -1.115 2.074 -0.150 354 HD13 LEU 43 3HD1 LEU 43 0.257 1.222 -0.809 355 HD21 LEU 43 3HD2 LEU 43 1.767 1.223 2.393 356 HD22 LEU 43 1HD2 LEU 43 2.429 1.090 0.780 357 HD23 LEU 43 2HD2 LEU 43 2.718 2.544 1.759 358 H ILE 44 HN ILE 44 0.583 2.019 -3.059 359 HA ILE 44 HA ILE 44 0.263 4.210 -4.846 360 HB ILE 44 HB ILE 44 2.741 2.974 -5.099 361 HG12 ILE 44 2HG1 ILE 44 2.261 5.273 -5.689 362 HG13 ILE 44 3HG1 ILE 44 3.054 4.432 -7.007 363 HG21 ILE 44 1HG2 ILE 44 1.921 1.066 -6.278 364 HG22 ILE 44 2HG2 ILE 44 1.041 2.037 -7.444 365 HG23 ILE 44 3HG2 ILE 44 2.803 2.096 -7.414 366 HD11 ILE 44 3HD1 ILE 44 0.157 5.302 -6.845 367 HD12 ILE 44 1HD1 ILE 44 1.419 5.695 -8.047 368 HD13 ILE 44 2HD1 ILE 44 0.700 4.093 -8.025 369 H PHE 45 HN PHE 45 -1.676 3.759 -5.953 370 HA PHE 45 HA PHE 45 -2.498 0.895 -6.136 371 HD1 PHE 45 HD1 PHE 45 -4.159 0.044 -5.003 372 HD2 PHE 45 HD2 PHE 45 -4.769 4.236 -4.203 373 HE1 PHE 45 HE1 PHE 45 -4.297 -0.419 -2.610 374 HE2 PHE 45 HE2 PHE 45 -5.256 3.698 -1.823 375 HZ PHE 45 HZ PHE 45 -4.886 1.376 -1.000 376 HB2 PHE 45 2HB PHE 45 -4.082 3.496 -6.392 377 HB3 PHE 45 3HB PHE 45 -4.737 1.902 -6.800 378 H ALA 46 HN ALA 46 -3.974 2.966 -8.347 379 HA ALA 46 HA ALA 46 -2.927 1.433 -10.498 380 HB1 ALA 46 1HB ALA 46 -5.290 2.084 -10.234 381 HB2 ALA 46 2HB ALA 46 -4.850 3.800 -10.445 382 HB3 ALA 46 3HB ALA 46 -4.635 2.644 -11.780 383 H GLY 47 HN GLY 47 -0.736 2.882 -9.474 384 HA2 GLY 47 1HA GLY 47 1.100 3.980 -10.323 385 HA3 GLY 47 2HA GLY 47 0.233 4.089 -11.862 386 H LYS 48 HN LYS 48 -1.385 5.598 -9.162 387 HA LYS 48 HA LYS 48 -0.760 8.256 -10.388 388 HB2 LYS 48 2HB LYS 48 -3.071 8.807 -9.674 389 HB3 LYS 48 3HB LYS 48 -2.950 7.486 -10.778 390 HG2 LYS 48 2HG LYS 48 -4.704 7.000 -9.307 391 HG3 LYS 48 3HG LYS 48 -3.418 5.863 -8.971 392 HD2 LYS 48 2HD LYS 48 -4.490 6.563 -6.915 393 HD3 LYS 48 3HD LYS 48 -2.819 7.092 -6.955 394 HE2 LYS 48 2HE LYS 48 -4.038 8.942 -6.027 395 HE3 LYS 48 3HE LYS 48 -3.650 9.418 -7.656 396 HZ1 LYS 48 3HZ LYS 48 -6.055 9.613 -6.664 397 HZ2 LYS 48 1HZ LYS 48 -5.792 9.462 -8.243 398 HZ3 LYS 48 2HZ LYS 48 -6.248 8.137 -7.344 399 H GLN 49 HN GLN 49 1.066 7.529 -8.316 400 HA GLN 49 HA GLN 49 1.374 7.498 -5.992 401 HB2 GLN 49 2HB GLN 49 2.729 9.227 -7.163 402 HB3 GLN 49 3HB GLN 49 1.537 10.441 -6.672 403 HG2 GLN 49 2HG GLN 49 1.931 9.743 -4.255 404 HG3 GLN 49 3HG GLN 49 3.181 8.631 -4.824 405 HE21 GLN 49 1HE2 GLN 49 2.921 11.589 -3.268 406 HE22 GLN 49 2HE2 GLN 49 4.148 12.456 -4.158 407 H LEU 50 HN LEU 50 -0.634 6.785 -5.188 408 HA LEU 50 HA LEU 50 -3.056 7.687 -4.877 409 HG LEU 50 HG LEU 50 -1.480 4.922 -4.129 410 HB2 LEU 50 2HB LEU 50 -2.510 6.936 -2.184 411 HB3 LEU 50 3HB LEU 50 -3.438 6.131 -3.409 412 HD11 LEU 50 1HD1 LEU 50 -0.248 7.052 -2.438 413 HD12 LEU 50 2HD1 LEU 50 0.315 5.539 -1.981 414 HD13 LEU 50 3HD1 LEU 50 0.505 6.061 -3.674 415 HD21 LEU 50 3HD2 LEU 50 -1.722 4.816 -1.090 416 HD22 LEU 50 1HD2 LEU 50 -2.938 4.188 -2.160 417 HD23 LEU 50 2HD2 LEU 50 -1.340 3.466 -2.191 418 H GLU 51 HN GLU 51 -0.598 8.902 -2.662 419 HA GLU 51 HA GLU 51 -0.547 10.515 -1.161 420 HB2 GLU 51 2HB GLU 51 0.075 11.333 -3.433 421 HB3 GLU 51 3HB GLU 51 -1.478 12.175 -3.514 422 HG2 GLU 51 2HG GLU 51 0.437 13.620 -2.873 423 HG3 GLU 51 3HG GLU 51 -0.734 13.574 -1.567 424 H ASP 52 HN ASP 52 -3.099 9.229 -0.973 425 HA ASP 52 HA ASP 52 -4.517 9.186 0.748 426 HB2 ASP 52 2HB ASP 52 -2.285 9.796 1.724 427 HB3 ASP 52 3HB ASP 52 -2.775 11.481 1.713 428 H GLY 53 HN GLY 53 -4.658 12.078 -0.944 429 HA2 GLY 53 1HA GLY 53 -6.521 13.484 0.621 430 HA3 GLY 53 2HA GLY 53 -6.200 13.707 -1.113 431 H ARG 54 HN ARG 54 -7.317 10.518 -0.431 432 HA ARG 54 HA ARG 54 -10.113 11.238 -0.801 433 HE ARG 54 HE ARG 54 -11.931 12.042 -4.902 434 HB2 ARG 54 2HB ARG 54 -8.582 10.750 -3.110 435 HB3 ARG 54 3HB ARG 54 -9.210 9.146 -2.755 436 HG2 ARG 54 2HG ARG 54 -10.617 10.424 -4.308 437 HG3 ARG 54 3HG ARG 54 -11.513 10.022 -2.834 438 HD2 ARG 54 2HD ARG 54 -11.597 12.218 -2.108 439 HD3 ARG 54 3HD ARG 54 -10.050 12.634 -2.885 440 HH11 ARG 54 2HH2 ARG 54 -11.587 14.567 -2.388 441 HH12 ARG 54 1HH2 ARG 54 -11.961 15.867 -3.436 442 HH21 ARG 54 2HH1 ARG 54 -12.079 13.796 -6.369 443 HH22 ARG 54 1HH1 ARG 54 -12.242 15.415 -5.824 444 H THR 55 HN THR 55 -11.448 9.073 -0.875 445 HA THR 55 HA THR 55 -10.543 7.590 1.471 446 HB THR 55 HB THR 55 -12.921 6.835 -0.201 447 HG1 THR 55 HG1 THR 55 -13.278 9.029 1.490 448 HG21 THR 55 3HG2 THR 55 -12.546 7.297 2.770 449 HG22 THR 55 1HG2 THR 55 -13.970 6.549 2.001 450 HG23 THR 55 2HG2 THR 55 -12.371 5.761 1.966 451 H LEU 56 HN LEU 56 -10.201 5.191 1.431 452 HA LEU 56 HA LEU 56 -9.369 3.758 -0.845 453 HG LEU 56 HG LEU 56 -8.717 1.857 2.239 454 HB2 LEU 56 2HB LEU 56 -10.521 3.142 1.814 455 HB3 LEU 56 3HB LEU 56 -10.798 1.930 0.610 456 HD11 LEU 56 1HD1 LEU 56 -8.829 1.008 -0.638 457 HD12 LEU 56 2HD1 LEU 56 -7.624 0.409 0.524 458 HD13 LEU 56 3HD1 LEU 56 -9.339 0.080 0.788 459 HD21 LEU 56 3HD2 LEU 56 -6.634 2.537 1.177 460 HD22 LEU 56 1HD2 LEU 56 -7.478 3.253 -0.177 461 HD23 LEU 56 2HD2 LEU 56 -7.667 3.952 1.455 462 H SER 57 HN SER 57 -12.561 4.806 -0.071 463 HA SER 57 HA SER 57 -14.111 3.168 -1.763 464 HG SER 57 HG SER 57 -16.256 3.831 -0.784 465 HB2 SER 57 2HB SER 57 -14.654 5.049 0.047 466 HB3 SER 57 3HB SER 57 -14.672 6.112 -1.368 467 H ASP 58 HN ASP 58 -12.114 6.109 -2.541 468 HA ASP 58 HA ASP 58 -13.093 6.356 -5.285 469 HB2 ASP 58 2HB ASP 58 -12.316 8.364 -4.258 470 HB3 ASP 58 3HB ASP 58 -10.793 7.619 -3.760 471 H TYR 59 HN TYR 59 -9.917 5.573 -3.814 472 HA TYR 59 HA TYR 59 -8.701 4.879 -6.208 473 HD1 TYR 59 HD2 TYR 59 -6.124 5.973 -5.611 474 HD2 TYR 59 HD1 TYR 59 -8.325 5.428 -1.972 475 HE1 TYR 59 HE2 TYR 59 -5.286 8.180 -4.744 476 HE2 TYR 59 HE1 TYR 59 -7.575 7.633 -1.165 477 HH TYR 59 HH TYR 59 -5.072 9.527 -2.814 478 HB2 TYR 59 2HB TYR 59 -8.082 3.622 -3.517 479 HB3 TYR 59 3HB TYR 59 -7.024 3.725 -4.908 480 H ASN 60 HN ASN 60 -10.555 2.962 -4.063 481 HA ASN 60 HA ASN 60 -11.578 1.054 -4.000 482 HB2 ASN 60 2HB ASN 60 -12.809 2.502 -5.667 483 HB3 ASN 60 3HB ASN 60 -12.155 1.436 -6.907 484 HD21 ASN 60 1HD2 ASN 60 -14.654 1.802 -4.578 485 HD22 ASN 60 2HD2 ASN 60 -15.281 0.158 -4.719 486 H ILE 61 HN ILE 61 -10.501 -0.677 -3.514 487 HA ILE 61 HA ILE 61 -9.448 -2.305 -5.695 488 HB ILE 61 HB ILE 61 -7.284 -2.304 -4.559 489 HG12 ILE 61 2HG1 ILE 61 -8.146 -1.093 -2.381 490 HG13 ILE 61 3HG1 ILE 61 -6.538 -0.836 -2.977 491 HG21 ILE 61 1HG2 ILE 61 -7.848 0.403 -5.709 492 HG22 ILE 61 2HG2 ILE 61 -6.321 -0.501 -5.689 493 HG23 ILE 61 3HG2 ILE 61 -7.719 -1.046 -6.622 494 HD11 ILE 61 3HD1 ILE 61 -8.855 1.085 -3.199 495 HD12 ILE 61 1HD1 ILE 61 -7.414 1.224 -2.195 496 HD13 ILE 61 2HD1 ILE 61 -7.246 1.366 -3.918 497 H GLN 62 HN GLN 62 -10.879 -3.885 -5.121 498 HA GLN 62 HA GLN 62 -10.404 -5.192 -2.478 499 HB2 GLN 62 2HB GLN 62 -12.587 -5.465 -4.557 500 HB3 GLN 62 3HB GLN 62 -12.316 -6.634 -3.260 501 HG2 GLN 62 2HG GLN 62 -12.133 -4.123 -1.922 502 HG3 GLN 62 3HG GLN 62 -13.377 -3.867 -3.133 503 HE21 GLN 62 1HE2 GLN 62 -15.250 -3.882 -1.700 504 HE22 GLN 62 2HE2 GLN 62 -15.607 -5.340 -0.761 505 H LYS 63 HN LYS 63 -8.644 -6.193 -2.527 506 HA LYS 63 HA LYS 63 -7.205 -7.861 -2.711 507 HB2 LYS 63 2HB LYS 63 -9.196 -9.251 -2.591 508 HB3 LYS 63 3HB LYS 63 -9.321 -9.265 -4.360 509 HG2 LYS 63 2HG LYS 63 -7.201 -10.431 -4.567 510 HG3 LYS 63 3HG LYS 63 -6.891 -10.264 -2.832 511 HD2 LYS 63 2HD LYS 63 -7.570 -12.517 -3.319 512 HD3 LYS 63 3HD LYS 63 -8.818 -11.731 -2.342 513 HE2 LYS 63 2HE LYS 63 -10.238 -11.431 -4.297 514 HE3 LYS 63 3HE LYS 63 -8.947 -11.964 -5.386 515 HZ1 LYS 63 3HZ LYS 63 -10.644 -13.668 -4.883 516 HZ2 LYS 63 1HZ LYS 63 -9.095 -14.141 -4.517 517 HZ3 LYS 63 2HZ LYS 63 -10.152 -13.684 -3.321 518 H GLU 64 HN GLU 64 -8.476 -6.972 -5.968 519 HA GLU 64 HA GLU 64 -6.088 -7.606 -7.382 520 HB2 GLU 64 2HB GLU 64 -8.473 -5.882 -7.825 521 HB3 GLU 64 3HB GLU 64 -6.952 -5.184 -8.469 522 HG2 GLU 64 2HG GLU 64 -6.464 -7.466 -9.453 523 HG3 GLU 64 3HG GLU 64 -8.150 -7.874 -9.121 524 H SER 65 HN SER 65 -6.970 -4.932 -5.389 525 HA SER 65 HA SER 65 -5.563 -2.922 -5.394 526 HG SER 65 HG SER 65 -5.584 -2.625 -1.901 527 HB2 SER 65 2HB SER 65 -6.783 -3.803 -3.325 528 HB3 SER 65 3HB SER 65 -5.399 -4.806 -2.998 529 H THR 66 HN THR 66 -3.767 -5.634 -4.006 530 HA THR 66 HA THR 66 -1.508 -5.958 -3.761 531 HB THR 66 HB THR 66 -2.018 -6.030 -6.729 532 HG1 THR 66 HG1 THR 66 -3.621 -7.068 -6.039 533 HG21 THR 66 3HG2 THR 66 -0.107 -7.498 -4.917 534 HG22 THR 66 1HG2 THR 66 -0.833 -8.341 -6.316 535 HG23 THR 66 2HG2 THR 66 0.090 -6.873 -6.580 536 H LEU 67 HN LEU 67 -1.717 -3.389 -3.317 537 HA LEU 67 HA LEU 67 -0.668 -1.555 -4.990 538 HG LEU 67 HG LEU 67 -0.965 -0.712 -0.868 539 HB2 LEU 67 2HB LEU 67 -0.526 -0.092 -3.091 540 HB3 LEU 67 3HB LEU 67 -1.922 -1.111 -2.943 541 HD11 LEU 67 1HD1 LEU 67 -0.624 -2.814 0.140 542 HD12 LEU 67 2HD1 LEU 67 -1.861 -2.938 -1.129 543 HD13 LEU 67 3HD1 LEU 67 -0.220 -3.556 -1.419 544 HD21 LEU 67 3HD2 LEU 67 1.262 -0.982 -0.153 545 HD22 LEU 67 1HD2 LEU 67 1.651 -2.049 -1.481 546 HD23 LEU 67 2HD2 LEU 67 1.467 -0.326 -1.793 547 H HIS 68 HN HIS 68 1.277 -0.454 -5.233 548 HA HIS 68 HA HIS 68 3.486 -2.405 -5.067 549 HD1 HIS 68 HD1 HIS 68 1.447 -3.402 -6.754 550 HD2 HIS 68 HD2 HIS 68 2.175 0.072 -9.069 551 HE1 HIS 68 HE1 HIS 68 -0.219 -3.445 -8.614 552 HB2 HIS 68 2HB HIS 68 3.662 -0.127 -6.965 553 HB3 HIS 68 3HB HIS 68 4.287 -1.745 -7.067 554 H LEU 69 HN LEU 69 4.553 -2.062 -3.245 555 HA LEU 69 HA LEU 69 4.900 0.689 -2.242 556 HG LEU 69 HG LEU 69 5.635 -2.854 -1.504 557 HB2 LEU 69 2HB LEU 69 5.547 -0.354 -0.128 558 HB3 LEU 69 3HB LEU 69 3.921 -0.642 -0.624 559 HD11 LEU 69 1HD1 LEU 69 6.967 -2.117 0.506 560 HD12 LEU 69 2HD1 LEU 69 5.476 -2.334 1.477 561 HD13 LEU 69 3HD1 LEU 69 6.232 -3.710 0.712 562 HD21 LEU 69 3HD2 LEU 69 3.378 -3.382 -1.362 563 HD22 LEU 69 1HD2 LEU 69 4.007 -4.017 0.181 564 HD23 LEU 69 2HD2 LEU 69 3.169 -2.507 0.195 565 H VAL 70 HN VAL 70 6.451 1.369 -3.661 566 HA VAL 70 HA VAL 70 9.129 0.156 -3.331 567 HB VAL 70 HB VAL 70 9.380 0.599 -5.822 568 HG11 VAL 70 1HG1 VAL 70 7.371 -1.540 -4.954 569 HG12 VAL 70 2HG1 VAL 70 8.452 -1.577 -6.364 570 HG13 VAL 70 3HG1 VAL 70 9.135 -1.632 -4.736 571 HG21 VAL 70 3HG2 VAL 70 7.364 0.530 -7.194 572 HG22 VAL 70 1HG2 VAL 70 6.317 0.541 -5.775 573 HG23 VAL 70 2HG2 VAL 70 7.334 1.962 -6.182 574 H LEU 71 HN LEU 71 10.374 1.485 -2.488 575 HA LEU 71 HA LEU 71 10.204 4.434 -2.844 576 HG LEU 71 HG LEU 71 12.574 2.013 -1.406 577 HB2 LEU 71 2HB LEU 71 11.673 4.592 -0.948 578 HB3 LEU 71 3HB LEU 71 10.247 3.680 -0.519 579 HD11 LEU 71 1HD1 LEU 71 13.747 3.767 -0.145 580 HD12 LEU 71 2HD1 LEU 71 12.651 3.520 1.232 581 HD13 LEU 71 3HD1 LEU 71 13.757 2.227 0.718 582 HD21 LEU 71 3HD2 LEU 71 10.575 0.911 -0.572 583 HD22 LEU 71 1HD2 LEU 71 11.910 0.647 0.552 584 HD23 LEU 71 2HD2 LEU 71 10.643 1.835 0.934 585 H ARG 72 HN ARG 72 12.654 5.309 -2.773 586 HA ARG 72 HA ARG 72 14.341 5.782 -4.194 587 HE ARG 72 HE ARG 72 15.619 0.449 -1.672 588 HB2 ARG 72 2HB ARG 72 16.246 4.299 -3.968 589 HB3 ARG 72 3HB ARG 72 15.459 4.656 -2.439 590 HG2 ARG 72 2HG ARG 72 14.505 2.434 -2.328 591 HG3 ARG 72 3HG ARG 72 15.053 2.042 -3.971 592 HD2 ARG 72 2HD ARG 72 17.366 2.191 -3.296 593 HD3 ARG 72 3HD ARG 72 16.928 2.790 -1.690 594 HH11 ARG 72 2HH2 ARG 72 18.938 1.034 -2.911 595 HH12 ARG 72 1HH2 ARG 72 19.517 -0.456 -2.252 596 HH21 ARG 72 2HH1 ARG 72 16.528 -1.501 -0.790 597 HH22 ARG 72 1HH1 ARG 72 18.165 -1.935 -1.157 598 H LEU 73 HN LEU 73 12.285 5.212 -5.857 599 HA LEU 73 HA LEU 73 12.690 3.521 -8.013 600 HG LEU 73 HG LEU 73 11.710 4.488 -10.261 601 HB2 LEU 73 2HB LEU 73 10.849 5.059 -7.839 602 HB3 LEU 73 3HB LEU 73 11.920 6.460 -7.968 603 HD11 LEU 73 1HD1 LEU 73 9.847 6.838 -9.687 604 HD12 LEU 73 2HD1 LEU 73 9.860 5.880 -11.167 605 HD13 LEU 73 3HD1 LEU 73 9.397 5.120 -9.642 606 HD21 LEU 73 3HD2 LEU 73 12.251 7.505 -10.129 607 HD22 LEU 73 1HD2 LEU 73 13.425 6.249 -10.564 608 HD23 LEU 73 2HD2 LEU 73 12.075 6.571 -11.624 609 H ARG 74 HN ARG 74 14.351 6.612 -7.360 610 HA ARG 74 HA ARG 74 16.456 5.867 -9.318 611 HE ARG 74 HE ARG 74 17.134 10.792 -10.202 612 HB2 ARG 74 2HB ARG 74 14.818 7.972 -9.664 613 HB3 ARG 74 3HB ARG 74 15.918 8.746 -8.539 614 HG2 ARG 74 2HG ARG 74 16.929 7.330 -11.038 615 HG3 ARG 74 3HG ARG 74 16.195 8.913 -11.151 616 HD2 ARG 74 2HD ARG 74 18.603 8.352 -9.401 617 HD3 ARG 74 3HD ARG 74 18.694 8.937 -11.065 618 HH11 ARG 74 2HH2 ARG 74 20.004 9.535 -8.455 619 HH12 ARG 74 1HH2 ARG 74 20.275 11.030 -7.626 620 HH21 ARG 74 2HH1 ARG 74 17.418 12.690 -8.944 621 HH22 ARG 74 1HH1 ARG 74 18.656 12.736 -7.739 622 H GLY 75 HN GLY 75 18.573 6.312 -8.601 623 HA2 GLY 75 1HA GLY 75 19.183 7.916 -6.349 624 HA3 GLY 75 2HA GLY 75 19.442 6.194 -5.961 625 H GLY 76 HN GLY 76 21.025 5.082 -6.953 626 HA2 GLY 76 1HA GLY 76 21.945 5.633 -9.568 627 HA3 GLY 76 2HA GLY 76 23.263 5.859 -8.371 Start of MODEL 7 1 HA MET 1 HA MET 1 -10.543 -8.647 3.360 2 H1 MET 1 HN MET 1 -10.205 -5.887 4.329 3 HB2 MET 1 2HB MET 1 -10.074 -7.862 1.093 4 HB3 MET 1 3HB MET 1 -11.541 -7.169 1.747 5 HG2 MET 1 2HG MET 1 -8.925 -5.649 1.853 6 HG3 MET 1 3HG MET 1 -9.893 -5.717 0.384 7 HE1 MET 1 3HE MET 1 -8.988 -3.160 2.053 8 HE2 MET 1 1HE MET 1 -9.868 -3.037 0.504 9 HE3 MET 1 2HE MET 1 -10.429 -2.135 1.921 10 H GLN 2 HN GLN 2 -8.546 -9.317 1.934 11 HA GLN 2 HA GLN 2 -6.099 -8.136 3.100 12 HB2 GLN 2 2HB GLN 2 -4.959 -10.183 3.018 13 HB3 GLN 2 3HB GLN 2 -6.423 -10.408 3.967 14 HG2 GLN 2 2HG GLN 2 -7.495 -11.392 1.852 15 HG3 GLN 2 3HG GLN 2 -5.888 -11.384 1.123 16 HE21 GLN 2 1HE2 GLN 2 -4.989 -13.525 1.224 17 HE22 GLN 2 2HE2 GLN 2 -5.301 -14.586 2.562 18 H ILE 3 HN ILE 3 -4.394 -7.800 1.663 19 HA ILE 3 HA ILE 3 -4.992 -8.030 -1.217 20 HB ILE 3 HB ILE 3 -4.459 -5.708 -1.587 21 HG12 ILE 3 2HG1 ILE 3 -4.565 -4.075 0.408 22 HG13 ILE 3 3HG1 ILE 3 -4.072 -5.426 1.399 23 HG21 ILE 3 1HG2 ILE 3 -6.802 -6.360 -1.038 24 HG22 ILE 3 2HG2 ILE 3 -6.511 -5.902 0.661 25 HG23 ILE 3 3HG2 ILE 3 -6.437 -4.690 -0.585 26 HD11 ILE 3 3HD1 ILE 3 -2.215 -3.920 0.750 27 HD12 ILE 3 1HD1 ILE 3 -1.946 -5.537 0.097 28 HD13 ILE 3 2HD1 ILE 3 -2.535 -4.238 -0.953 29 H PHE 4 HN PHE 4 -3.057 -7.729 -2.511 30 HA PHE 4 HA PHE 4 -0.618 -8.823 -1.214 31 HD1 PHE 4 HD2 PHE 4 -0.697 -11.071 -1.677 32 HD2 PHE 4 HD1 PHE 4 -2.803 -9.677 -5.186 33 HE1 PHE 4 HE2 PHE 4 -1.913 -13.212 -1.800 34 HE2 PHE 4 HE1 PHE 4 -3.982 -11.820 -5.324 35 HZ PHE 4 HZ PHE 4 -3.565 -13.602 -3.620 36 HB2 PHE 4 2HB PHE 4 -1.294 -8.252 -4.120 37 HB3 PHE 4 3HB PHE 4 0.127 -9.107 -3.551 38 H VAL 5 HN VAL 5 1.486 -7.784 -1.920 39 HA VAL 5 HA VAL 5 1.268 -4.948 -2.635 40 HB VAL 5 HB VAL 5 1.623 -5.938 0.083 41 HG11 VAL 5 1HG1 VAL 5 3.901 -4.269 -1.017 42 HG12 VAL 5 2HG1 VAL 5 3.537 -4.452 0.714 43 HG13 VAL 5 3HG1 VAL 5 4.010 -5.849 -0.237 44 HG21 VAL 5 3HG2 VAL 5 1.044 -3.770 0.699 45 HG22 VAL 5 1HG2 VAL 5 1.674 -3.058 -0.783 46 HG23 VAL 5 2HG2 VAL 5 0.164 -4.015 -0.810 47 H LYS 6 HN LYS 6 2.539 -4.694 -4.271 48 HA LYS 6 HA LYS 6 4.603 -6.682 -4.987 49 HB2 LYS 6 2HB LYS 6 3.434 -4.283 -6.435 50 HB3 LYS 6 3HB LYS 6 4.757 -5.279 -7.083 51 HG2 LYS 6 2HG LYS 6 3.317 -7.288 -6.877 52 HG3 LYS 6 3HG LYS 6 1.992 -6.260 -6.302 53 HD2 LYS 6 2HD LYS 6 2.215 -4.951 -8.499 54 HD3 LYS 6 3HD LYS 6 3.286 -6.242 -9.051 55 HE2 LYS 6 2HE LYS 6 0.350 -6.456 -8.253 56 HE3 LYS 6 3HE LYS 6 1.016 -6.640 -9.873 57 HZ1 LYS 6 3HZ LYS 6 0.515 -8.757 -8.861 58 HZ2 LYS 6 1HZ LYS 6 2.163 -8.672 -9.049 59 HZ3 LYS 6 2HZ LYS 6 1.480 -8.457 -7.591 60 H THR 7 HN THR 7 5.648 -6.085 -2.973 61 HA THR 7 HA THR 7 7.717 -4.033 -3.470 62 HB THR 7 HB THR 7 6.216 -3.777 -1.423 63 HG1 THR 7 HG1 THR 7 7.990 -3.171 -0.199 64 HG21 THR 7 3HG2 THR 7 7.923 -6.012 -0.252 65 HG22 THR 7 1HG2 THR 7 6.696 -5.037 0.578 66 HG23 THR 7 2HG2 THR 7 6.217 -6.194 -0.676 67 H LEU 8 HN LEU 8 9.751 -4.882 -3.609 68 HA LEU 8 HA LEU 8 11.355 -6.332 -4.048 69 HG LEU 8 HG LEU 8 12.674 -8.497 -2.346 70 HB2 LEU 8 2HB LEU 8 10.813 -6.284 -1.460 71 HB3 LEU 8 3HB LEU 8 10.382 -7.974 -1.701 72 HD11 LEU 8 1HD1 LEU 8 13.129 -5.480 -2.262 73 HD12 LEU 8 2HD1 LEU 8 14.453 -6.659 -2.159 74 HD13 LEU 8 3HD1 LEU 8 13.455 -6.590 -3.606 75 HD21 LEU 8 3HD2 LEU 8 13.801 -7.978 -0.266 76 HD22 LEU 8 1HD2 LEU 8 12.707 -6.595 0.038 77 HD23 LEU 8 2HD2 LEU 8 12.080 -8.247 0.088 78 H THR 9 HN THR 9 11.726 -9.139 -3.754 79 HA THR 9 HA THR 9 9.610 -10.458 -5.260 80 HB THR 9 HB THR 9 12.088 -9.398 -6.480 81 HG1 THR 9 HG1 THR 9 10.027 -8.911 -7.144 82 HG21 THR 9 3HG2 THR 9 12.332 -11.234 -8.123 83 HG22 THR 9 1HG2 THR 9 12.921 -11.664 -6.525 84 HG23 THR 9 2HG2 THR 9 11.349 -12.290 -7.075 85 H GLY 10 HN GLY 10 9.322 -12.291 -4.246 86 HA2 GLY 10 1HA GLY 10 10.818 -14.373 -3.663 87 HA3 GLY 10 2HA GLY 10 11.368 -13.296 -2.363 88 H LYS 11 HN LYS 11 8.484 -14.714 -3.873 89 HA LYS 11 HA LYS 11 6.313 -14.885 -3.320 90 HB2 LYS 11 2HB LYS 11 7.301 -15.249 -0.471 91 HB3 LYS 11 3HB LYS 11 5.706 -15.670 -1.077 92 HG2 LYS 11 2HG LYS 11 6.648 -17.390 -2.552 93 HG3 LYS 11 3HG LYS 11 8.290 -16.892 -2.157 94 HD2 LYS 11 2HD LYS 11 7.870 -18.878 -0.919 95 HD3 LYS 11 3HD LYS 11 7.920 -17.527 0.205 96 HE2 LYS 11 2HE LYS 11 6.089 -18.815 0.934 97 HE3 LYS 11 3HE LYS 11 5.346 -17.474 0.065 98 HZ1 LYS 11 3HZ LYS 11 5.169 -19.034 -1.873 99 HZ2 LYS 11 1HZ LYS 11 5.731 -20.238 -0.879 100 HZ3 LYS 11 2HZ LYS 11 4.313 -19.492 -0.545 101 H THR 12 HN THR 12 4.536 -13.862 -1.500 102 HA THR 12 HA THR 12 5.240 -10.998 -1.240 103 HB THR 12 HB THR 12 2.944 -12.238 -2.799 104 HG1 THR 12 HG1 THR 12 5.171 -10.600 -3.353 105 HG21 THR 12 3HG2 THR 12 3.226 -9.357 -1.926 106 HG22 THR 12 1HG2 THR 12 2.253 -9.888 -3.318 107 HG23 THR 12 2HG2 THR 12 1.851 -10.446 -1.687 108 H ILE 13 HN ILE 13 4.150 -9.829 0.241 109 HA ILE 13 HA ILE 13 3.346 -11.121 2.630 110 HB ILE 13 HB ILE 13 4.523 -8.973 2.423 111 HG12 ILE 13 2HG1 ILE 13 1.910 -8.329 3.791 112 HG13 ILE 13 3HG1 ILE 13 2.945 -9.626 4.416 113 HG21 ILE 13 1HG2 ILE 13 1.895 -7.834 1.384 114 HG22 ILE 13 2HG2 ILE 13 3.349 -6.910 1.815 115 HG23 ILE 13 3HG2 ILE 13 3.401 -8.023 0.452 116 HD11 ILE 13 3HD1 ILE 13 3.831 -6.742 4.005 117 HD12 ILE 13 1HD1 ILE 13 3.380 -7.499 5.537 118 HD13 ILE 13 2HD1 ILE 13 4.805 -8.077 4.678 119 H THR 14 HN THR 14 1.292 -10.783 3.747 120 HA THR 14 HA THR 14 -1.071 -10.354 2.006 121 HB THR 14 HB THR 14 -0.872 -11.900 4.641 122 HG1 THR 14 HG1 THR 14 -0.213 -13.273 3.111 123 HG21 THR 14 3HG2 THR 14 -3.033 -10.682 4.332 124 HG22 THR 14 1HG2 THR 14 -3.208 -11.456 2.730 125 HG23 THR 14 2HG2 THR 14 -3.251 -12.423 4.219 126 H LEU 15 HN LEU 15 -1.946 -8.385 2.420 127 HA LEU 15 HA LEU 15 -1.172 -6.945 4.913 128 HG LEU 15 HG LEU 15 -0.489 -3.965 2.772 129 HB2 LEU 15 2HB LEU 15 -0.446 -6.218 2.488 130 HB3 LEU 15 3HB LEU 15 -2.112 -5.785 2.283 131 HD11 LEU 15 1HD1 LEU 15 -2.809 -3.521 3.037 132 HD12 LEU 15 2HD1 LEU 15 -2.805 -4.161 4.696 133 HD13 LEU 15 3HD1 LEU 15 -1.890 -2.681 4.276 134 HD21 LEU 15 3HD2 LEU 15 0.344 -3.604 5.008 135 HD22 LEU 15 1HD2 LEU 15 -0.515 -5.005 5.621 136 HD23 LEU 15 2HD2 LEU 15 0.834 -5.232 4.474 137 H GLU 16 HN GLU 16 -2.923 -6.636 6.268 138 HA GLU 16 HA GLU 16 -5.580 -7.306 5.141 139 HB2 GLU 16 2HB GLU 16 -4.421 -7.477 7.930 140 HB3 GLU 16 3HB GLU 16 -6.095 -7.855 7.472 141 HG2 GLU 16 2HG GLU 16 -5.334 -9.605 5.939 142 HG3 GLU 16 3HG GLU 16 -3.638 -9.204 6.223 143 H VAL 17 HN VAL 17 -6.804 -5.600 4.707 144 HA VAL 17 HA VAL 17 -6.774 -3.238 6.412 145 HB VAL 17 HB VAL 17 -5.059 -2.462 5.004 146 HG11 VAL 17 1HG1 VAL 17 -6.433 -3.699 2.623 147 HG12 VAL 17 2HG1 VAL 17 -4.968 -2.693 2.572 148 HG13 VAL 17 3HG1 VAL 17 -4.935 -4.261 3.392 149 HG21 VAL 17 3HG2 VAL 17 -7.011 -0.899 4.993 150 HG22 VAL 17 1HG2 VAL 17 -5.961 -0.767 3.567 151 HG23 VAL 17 2HG2 VAL 17 -7.516 -1.590 3.449 152 H GLU 18 HN GLU 18 -8.545 -1.980 6.117 153 HA GLU 18 HA GLU 18 -10.906 -3.442 5.154 154 HB2 GLU 18 2HB GLU 18 -12.073 -1.734 6.752 155 HB3 GLU 18 3HB GLU 18 -11.245 -3.114 7.429 156 HG2 GLU 18 2HG GLU 18 -9.983 -0.341 7.153 157 HG3 GLU 18 3HG GLU 18 -10.912 -0.862 8.568 158 HA PRO 19 HA PRO 19 -11.815 -0.563 2.052 159 HB2 PRO 19 2HB PRO 19 -14.496 -0.718 1.857 160 HB3 PRO 19 3HB PRO 19 -13.420 -2.120 1.649 161 HG2 PRO 19 2HG PRO 19 -14.845 -1.303 4.199 162 HG3 PRO 19 3HG PRO 19 -14.955 -2.869 3.306 163 HD2 PRO 19 2HD PRO 19 -13.194 -2.616 5.264 164 HD3 PRO 19 3HD PRO 19 -12.709 -3.412 3.763 165 H SER 20 HN SER 20 -11.803 0.718 4.926 166 HA SER 20 HA SER 20 -12.967 3.300 4.031 167 HG SER 20 HG SER 20 -15.388 1.668 6.150 168 HB2 SER 20 2HB SER 20 -13.362 2.009 6.738 169 HB3 SER 20 3HB SER 20 -13.935 3.616 6.254 170 H ASP 21 HN ASP 21 -10.173 1.812 4.528 171 HA ASP 21 HA ASP 21 -8.878 3.373 6.446 172 HB2 ASP 21 2HB ASP 21 -8.120 1.355 4.506 173 HB3 ASP 21 3HB ASP 21 -6.985 2.685 4.431 174 H THR 22 HN THR 22 -7.099 5.069 6.039 175 HA THR 22 HA THR 22 -7.708 6.910 3.776 176 HB THR 22 HB THR 22 -5.954 8.337 4.825 177 HG1 THR 22 HG1 THR 22 -6.146 7.189 7.280 178 HG21 THR 22 3HG2 THR 22 -8.339 8.768 5.232 179 HG22 THR 22 1HG2 THR 22 -8.343 7.626 6.595 180 HG23 THR 22 2HG2 THR 22 -7.382 9.122 6.670 181 H ILE 23 HN ILE 23 -5.650 7.535 2.470 182 HA ILE 23 HA ILE 23 -4.151 5.217 1.601 183 HB ILE 23 HB ILE 23 -4.052 8.162 1.189 184 HG12 ILE 23 2HG1 ILE 23 -4.410 7.655 -1.139 185 HG13 ILE 23 3HG1 ILE 23 -4.288 5.904 -0.782 186 HG21 ILE 23 1HG2 ILE 23 -1.717 7.796 1.277 187 HG22 ILE 23 2HG2 ILE 23 -1.831 6.330 0.266 188 HG23 ILE 23 3HG2 ILE 23 -2.140 7.950 -0.422 189 HD11 ILE 23 3HD1 ILE 23 -6.256 5.859 0.335 190 HD12 ILE 23 1HD1 ILE 23 -6.398 7.638 0.456 191 HD13 ILE 23 2HD1 ILE 23 -6.592 6.819 -1.118 192 H GLU 24 HN GLU 24 -3.582 7.914 3.950 193 HA GLU 24 HA GLU 24 -0.988 7.277 4.633 194 HB2 GLU 24 2HB GLU 24 -2.336 9.268 5.461 195 HB3 GLU 24 3HB GLU 24 -2.977 8.192 6.722 196 HG2 GLU 24 2HG GLU 24 -0.497 7.532 7.172 197 HG3 GLU 24 3HG GLU 24 -0.054 8.846 6.096 198 H ASN 25 HN ASN 25 -4.065 5.928 6.080 199 HA ASN 25 HA ASN 25 -2.607 4.359 7.926 200 HB2 ASN 25 2HB ASN 25 -5.117 4.915 7.885 201 HB3 ASN 25 3HB ASN 25 -5.283 3.481 6.855 202 HD21 ASN 25 1HD2 ASN 25 -5.961 1.807 8.302 203 HD22 ASN 25 2HD2 ASN 25 -5.378 1.665 9.961 204 H VAL 26 HN VAL 26 -3.661 3.616 4.620 205 HA VAL 26 HA VAL 26 -2.937 0.841 4.811 206 HB VAL 26 HB VAL 26 -2.878 2.505 2.287 207 HG11 VAL 26 1HG1 VAL 26 -3.285 -0.482 2.727 208 HG12 VAL 26 2HG1 VAL 26 -3.216 0.357 1.165 209 HG13 VAL 26 3HG1 VAL 26 -1.771 0.255 2.172 210 HG21 VAL 26 3HG2 VAL 26 -5.158 1.302 1.930 211 HG22 VAL 26 1HG2 VAL 26 -5.189 1.236 3.722 212 HG23 VAL 26 2HG2 VAL 26 -5.088 2.778 2.866 213 H LYS 27 HN LYS 27 -1.086 3.751 3.591 214 HA LYS 27 HA LYS 27 1.312 2.241 3.138 215 HB2 LYS 27 2HB LYS 27 2.519 4.338 3.093 216 HB3 LYS 27 3HB LYS 27 1.006 4.549 2.212 217 HG2 LYS 27 2HG LYS 27 0.056 5.643 4.051 218 HG3 LYS 27 3HG LYS 27 1.494 5.411 5.064 219 HD2 LYS 27 2HD LYS 27 1.514 7.636 4.391 220 HD3 LYS 27 3HD LYS 27 2.737 6.838 3.379 221 HE2 LYS 27 2HE LYS 27 1.356 6.911 1.457 222 HE3 LYS 27 3HE LYS 27 -0.130 7.081 2.411 223 HZ1 LYS 27 3HZ LYS 27 0.271 9.301 2.793 224 HZ2 LYS 27 1HZ LYS 27 1.901 9.198 2.388 225 HZ3 LYS 27 2HZ LYS 27 0.709 9.130 1.254 226 H ALA 28 HN ALA 28 -0.015 3.590 6.096 227 HA ALA 28 HA ALA 28 2.244 3.283 7.746 228 HB1 ALA 28 1HB ALA 28 0.346 4.675 8.284 229 HB2 ALA 28 2HB ALA 28 -0.706 3.251 8.383 230 HB3 ALA 28 3HB ALA 28 0.598 3.446 9.535 231 H LYS 29 HN LYS 29 -0.492 1.043 7.062 232 HA LYS 29 HA LYS 29 0.155 -1.058 8.862 233 HB2 LYS 29 2HB LYS 29 -0.951 -1.114 5.993 234 HB3 LYS 29 3HB LYS 29 -0.741 -2.585 6.968 235 HG2 LYS 29 2HG LYS 29 -2.214 -1.858 8.624 236 HG3 LYS 29 3HG LYS 29 -2.332 -0.199 8.003 237 HD2 LYS 29 2HD LYS 29 -3.500 -0.910 6.033 238 HD3 LYS 29 3HD LYS 29 -2.987 -2.610 6.297 239 HE2 LYS 29 2HE LYS 29 -5.073 -2.676 7.062 240 HE3 LYS 29 3HE LYS 29 -4.152 -2.535 8.531 241 HZ1 LYS 29 3HZ LYS 29 -5.457 -0.235 7.145 242 HZ2 LYS 29 1HZ LYS 29 -6.237 -1.126 8.230 243 HZ3 LYS 29 2HZ LYS 29 -4.901 -0.240 8.679 244 H ILE 30 HN ILE 30 1.083 -0.624 5.528 245 HA ILE 30 HA ILE 30 2.750 -2.923 5.514 246 HB ILE 30 HB ILE 30 3.734 -1.266 3.459 247 HG12 ILE 30 2HG1 ILE 30 0.704 -1.078 3.613 248 HG13 ILE 30 3HG1 ILE 30 1.808 0.259 4.011 249 HG21 ILE 30 1HG2 ILE 30 2.825 -2.769 1.959 250 HG22 ILE 30 2HG2 ILE 30 3.303 -3.686 3.398 251 HG23 ILE 30 3HG2 ILE 30 1.592 -3.311 3.103 252 HD11 ILE 30 3HD1 ILE 30 1.644 -0.927 1.282 253 HD12 ILE 30 1HD1 ILE 30 0.643 0.371 1.894 254 HD13 ILE 30 2HD1 ILE 30 2.399 0.612 1.805 255 H GLN 31 HN GLN 31 3.619 0.647 5.817 256 HA GLN 31 HA GLN 31 6.369 0.126 5.729 257 HB2 GLN 31 2HB GLN 31 6.759 2.349 6.708 258 HB3 GLN 31 3HB GLN 31 5.635 2.374 5.429 259 HG2 GLN 31 2HG GLN 31 4.209 3.483 6.649 260 HG3 GLN 31 3HG GLN 31 4.069 2.115 7.747 261 HE21 GLN 31 1HE2 GLN 31 4.032 5.201 8.038 262 HE22 GLN 31 2HE2 GLN 31 5.092 5.460 9.383 263 H ASP 32 HN ASP 32 4.157 0.052 8.481 264 HA ASP 32 HA ASP 32 6.071 -0.491 10.522 265 HB2 ASP 32 2HB ASP 32 3.704 0.250 10.849 266 HB3 ASP 32 3HB ASP 32 3.148 -1.345 10.340 267 H LYS 33 HN LYS 33 3.951 -2.746 8.632 268 HA LYS 33 HA LYS 33 4.952 -5.155 9.730 269 HB2 LYS 33 2HB LYS 33 3.789 -4.605 6.975 270 HB3 LYS 33 3HB LYS 33 4.236 -6.214 7.541 271 HG2 LYS 33 2HG LYS 33 2.667 -5.970 9.470 272 HG3 LYS 33 3HG LYS 33 2.139 -4.432 8.826 273 HD2 LYS 33 2HD LYS 33 0.504 -5.737 7.875 274 HD3 LYS 33 3HD LYS 33 1.711 -5.866 6.603 275 HE2 LYS 33 2HE LYS 33 0.942 -8.087 6.984 276 HE3 LYS 33 3HE LYS 33 2.534 -7.993 7.756 277 HZ1 LYS 33 3HZ LYS 33 -0.099 -7.848 9.083 278 HZ2 LYS 33 1HZ LYS 33 0.977 -9.072 9.209 279 HZ3 LYS 33 2HZ LYS 33 1.341 -7.644 9.889 280 H GLU 34 HN GLU 34 6.110 -3.390 6.823 281 HA GLU 34 HA GLU 34 8.153 -5.374 6.315 282 HB2 GLU 34 2HB GLU 34 6.963 -3.912 4.611 283 HB3 GLU 34 3HB GLU 34 7.951 -2.562 5.145 284 HG2 GLU 34 2HG GLU 34 9.598 -4.951 4.574 285 HG3 GLU 34 3HG GLU 34 8.537 -4.591 3.226 286 H GLY 35 HN GLY 35 7.971 -2.548 8.410 287 HA2 GLY 35 1HA GLY 35 9.490 -1.757 9.927 288 HA3 GLY 35 2HA GLY 35 10.632 -3.040 9.479 289 H ILE 36 HN ILE 36 9.121 -0.048 8.184 290 HA ILE 36 HA ILE 36 11.639 1.016 7.209 291 HB ILE 36 HB ILE 36 10.899 -0.520 5.419 292 HG12 ILE 36 2HG1 ILE 36 10.576 2.399 4.647 293 HG13 ILE 36 3HG1 ILE 36 12.084 1.470 4.743 294 HG21 ILE 36 1HG2 ILE 36 8.353 1.111 5.189 295 HG22 ILE 36 2HG2 ILE 36 8.809 -0.316 4.226 296 HG23 ILE 36 3HG2 ILE 36 8.473 -0.513 5.920 297 HD11 ILE 36 3HD1 ILE 36 11.151 -0.073 2.997 298 HD12 ILE 36 1HD1 ILE 36 9.777 1.034 2.797 299 HD13 ILE 36 2HD1 ILE 36 11.407 1.594 2.441 300 HA PRO 37 HA PRO 37 8.814 4.472 8.166 301 HB2 PRO 37 2HB PRO 37 10.185 6.648 7.234 302 HB3 PRO 37 3HB PRO 37 10.718 5.706 8.649 303 HG2 PRO 37 2HG PRO 37 11.664 5.449 5.772 304 HG3 PRO 37 3HG PRO 37 12.668 5.643 7.247 305 HD2 PRO 37 2HD PRO 37 12.167 3.196 6.163 306 HD3 PRO 37 3HD PRO 37 12.255 3.428 7.932 307 HA PRO 38 HA PRO 38 6.624 5.251 4.372 308 HB2 PRO 38 2HB PRO 38 5.115 7.418 4.828 309 HB3 PRO 38 3HB PRO 38 4.930 5.919 5.781 310 HG2 PRO 38 2HG PRO 38 6.452 8.429 6.517 311 HG3 PRO 38 3HG PRO 38 5.312 7.492 7.519 312 HD2 PRO 38 2HD PRO 38 8.092 7.221 7.583 313 HD3 PRO 38 3HD PRO 38 6.984 5.921 8.065 314 H ASP 39 HN ASP 39 9.188 7.306 5.241 315 HA ASP 39 HA ASP 39 9.036 9.478 3.524 316 HB2 ASP 39 2HB ASP 39 10.749 9.032 5.355 317 HB3 ASP 39 3HB ASP 39 11.613 8.012 4.208 318 H GLN 40 HN GLN 40 10.835 6.413 2.846 319 HA GLN 40 HA GLN 40 10.911 6.941 0.001 320 HB2 GLN 40 2HB GLN 40 12.257 5.190 1.756 321 HB3 GLN 40 3HB GLN 40 11.259 4.102 0.805 322 HG2 GLN 40 2HG GLN 40 13.319 4.326 -0.386 323 HG3 GLN 40 3HG GLN 40 12.133 5.267 -1.297 324 HE21 GLN 40 1HE2 GLN 40 12.988 7.330 -1.949 325 HE22 GLN 40 2HE2 GLN 40 14.128 8.211 -0.971 326 H GLN 41 HN GLN 41 8.981 4.898 2.101 327 HA GLN 41 HA GLN 41 8.071 3.071 0.217 328 HB2 GLN 41 2HB GLN 41 8.494 2.848 2.630 329 HB3 GLN 41 3HB GLN 41 7.074 3.760 3.006 330 HG2 GLN 41 2HG GLN 41 6.699 1.344 1.268 331 HG3 GLN 41 3HG GLN 41 7.302 1.026 2.869 332 HE21 GLN 41 1HE2 GLN 41 5.192 3.796 3.030 333 HE22 GLN 41 2HE2 GLN 41 3.971 2.818 3.868 334 H ARG 42 HN ARG 42 7.298 4.412 -1.508 335 HA ARG 42 HA ARG 42 4.985 6.064 -1.155 336 HE ARG 42 HE ARG 42 6.166 10.123 -3.530 337 HB2 ARG 42 2HB ARG 42 6.484 5.030 -3.595 338 HB3 ARG 42 3HB ARG 42 4.965 5.908 -3.751 339 HG2 ARG 42 2HG ARG 42 6.334 7.544 -1.989 340 HG3 ARG 42 3HG ARG 42 7.654 6.909 -2.971 341 HD2 ARG 42 2HD ARG 42 7.155 8.399 -4.554 342 HD3 ARG 42 3HD ARG 42 5.603 7.627 -4.836 343 HH11 ARG 42 2HH2 ARG 42 3.670 7.559 -3.544 344 HH12 ARG 42 1HH2 ARG 42 2.396 8.655 -3.144 345 HH21 ARG 42 2HH1 ARG 42 4.546 11.490 -3.090 346 HH22 ARG 42 1HH1 ARG 42 2.895 11.012 -2.867 347 H LEU 43 HN LEU 43 2.949 5.560 -1.037 348 HA LEU 43 HA LEU 43 1.980 2.943 -1.834 349 HG LEU 43 HG LEU 43 -1.149 3.927 0.076 350 HB2 LEU 43 2HB LEU 43 1.189 4.682 0.058 351 HB3 LEU 43 3HB LEU 43 0.223 5.301 -1.210 352 HD11 LEU 43 1HD1 LEU 43 -2.015 2.296 -1.409 353 HD12 LEU 43 2HD1 LEU 43 -1.344 3.544 -2.441 354 HD13 LEU 43 3HD1 LEU 43 -0.444 2.063 -2.212 355 HD21 LEU 43 3HD2 LEU 43 -0.574 1.623 0.629 356 HD22 LEU 43 1HD2 LEU 43 1.026 1.828 -0.136 357 HD23 LEU 43 2HD2 LEU 43 0.585 2.767 1.265 358 H ILE 44 HN ILE 44 1.280 2.506 -3.980 359 HA ILE 44 HA ILE 44 -0.116 4.534 -5.508 360 HB ILE 44 HB ILE 44 2.649 4.464 -5.816 361 HG12 ILE 44 2HG1 ILE 44 1.141 6.313 -6.377 362 HG13 ILE 44 3HG1 ILE 44 2.363 5.984 -7.599 363 HG21 ILE 44 1HG2 ILE 44 2.653 2.390 -6.942 364 HG22 ILE 44 2HG2 ILE 44 1.417 2.900 -8.121 365 HG23 ILE 44 3HG2 ILE 44 3.034 3.664 -8.085 366 HD11 ILE 44 3HD1 ILE 44 0.696 4.938 -9.060 367 HD12 ILE 44 1HD1 ILE 44 -0.549 5.140 -7.803 368 HD13 ILE 44 2HD1 ILE 44 0.182 6.558 -8.579 369 H PHE 45 HN PHE 45 -1.652 3.498 -6.714 370 HA PHE 45 HA PHE 45 -1.399 0.574 -7.180 371 HD1 PHE 45 HD2 PHE 45 -2.536 -0.795 -5.807 372 HD2 PHE 45 HD1 PHE 45 -5.303 2.498 -5.662 373 HE1 PHE 45 HE2 PHE 45 -3.239 -1.465 -3.492 374 HE2 PHE 45 HE1 PHE 45 -6.180 1.577 -3.559 375 HZ PHE 45 HZ PHE 45 -5.085 -0.252 -2.393 376 HB2 PHE 45 2HB PHE 45 -3.851 2.350 -7.400 377 HB3 PHE 45 3HB PHE 45 -3.807 0.661 -7.868 378 H ALA 46 HN ALA 46 -2.528 0.125 -9.217 379 HA ALA 46 HA ALA 46 -1.500 0.739 -11.569 380 HB1 ALA 46 1HB ALA 46 -3.207 -0.934 -11.196 381 HB2 ALA 46 2HB ALA 46 -4.447 0.318 -10.858 382 HB3 ALA 46 3HB ALA 46 -3.730 0.157 -12.473 383 H GLY 47 HN GLY 47 -0.787 2.919 -11.709 384 HA2 GLY 47 1HA GLY 47 -0.871 5.035 -12.570 385 HA3 GLY 47 2HA GLY 47 -2.020 4.300 -13.708 386 H LYS 48 HN LYS 48 -2.327 5.148 -10.181 387 HA LYS 48 HA LYS 48 -4.374 7.137 -10.941 388 HB2 LYS 48 2HB LYS 48 -5.560 5.019 -10.431 389 HB3 LYS 48 3HB LYS 48 -4.859 4.992 -8.813 390 HG2 LYS 48 2HG LYS 48 -6.309 7.510 -9.664 391 HG3 LYS 48 3HG LYS 48 -7.284 6.071 -9.443 392 HD2 LYS 48 2HD LYS 48 -6.611 5.815 -7.151 393 HD3 LYS 48 3HD LYS 48 -5.373 7.048 -7.285 394 HE2 LYS 48 2HE LYS 48 -7.373 7.858 -6.077 395 HE3 LYS 48 3HE LYS 48 -7.029 8.829 -7.512 396 HZ1 LYS 48 3HZ LYS 48 -9.422 8.102 -7.102 397 HZ2 LYS 48 1HZ LYS 48 -8.833 7.904 -8.626 398 HZ3 LYS 48 2HZ LYS 48 -8.990 6.614 -7.631 399 H GLN 49 HN GLN 49 -4.407 8.842 -9.680 400 HA GLN 49 HA GLN 49 -2.225 9.984 -8.922 401 HB2 GLN 49 2HB GLN 49 -4.488 10.940 -9.313 402 HB3 GLN 49 3HB GLN 49 -4.948 10.560 -7.661 403 HG2 GLN 49 2HG GLN 49 -3.498 12.240 -6.785 404 HG3 GLN 49 3HG GLN 49 -2.567 12.332 -8.296 405 HE21 GLN 49 1HE2 GLN 49 -3.052 14.060 -9.579 406 HE22 GLN 49 2HE2 GLN 49 -4.618 14.810 -9.729 407 H LEU 50 HN LEU 50 -3.882 7.913 -6.677 408 HA LEU 50 HA LEU 50 -3.842 7.558 -4.485 409 HG LEU 50 HG LEU 50 -1.157 5.199 -3.958 410 HB2 LEU 50 2HB LEU 50 -1.335 6.927 -5.637 411 HB3 LEU 50 3HB LEU 50 -0.933 7.590 -4.095 412 HD11 LEU 50 1HD1 LEU 50 -3.313 6.697 -2.585 413 HD12 LEU 50 2HD1 LEU 50 -2.790 5.072 -2.115 414 HD13 LEU 50 3HD1 LEU 50 -1.651 6.444 -2.042 415 HD21 LEU 50 3HD2 LEU 50 -2.868 4.963 -5.823 416 HD22 LEU 50 1HD2 LEU 50 -3.111 3.950 -4.397 417 HD23 LEU 50 2HD2 LEU 50 -4.101 5.413 -4.639 418 H GLU 51 HN GLU 51 -4.697 9.924 -4.594 419 HA GLU 51 HA GLU 51 -3.075 11.905 -3.235 420 HB2 GLU 51 2HB GLU 51 -5.156 12.330 -4.797 421 HB3 GLU 51 3HB GLU 51 -6.110 11.908 -3.372 422 HG2 GLU 51 2HG GLU 51 -5.884 14.250 -3.210 423 HG3 GLU 51 3HG GLU 51 -4.650 13.674 -2.108 424 H ASP 52 HN ASP 52 -2.908 12.130 -1.035 425 HA ASP 52 HA ASP 52 -3.265 9.824 0.502 426 HB2 ASP 52 2HB ASP 52 -1.498 11.514 0.806 427 HB3 ASP 52 3HB ASP 52 -2.688 12.618 1.497 428 H GLY 53 HN GLY 53 -4.942 12.930 0.547 429 HA2 GLY 53 1HA GLY 53 -6.864 12.215 2.584 430 HA3 GLY 53 2HA GLY 53 -6.878 13.662 1.573 431 H ARG 54 HN ARG 54 -7.296 10.174 1.384 432 HA ARG 54 HA ARG 54 -9.825 10.517 -0.071 433 HE ARG 54 HE ARG 54 -9.755 12.049 -1.442 434 HB2 ARG 54 2HB ARG 54 -7.435 8.914 -0.983 435 HB3 ARG 54 3HB ARG 54 -9.020 8.223 -1.274 436 HG2 ARG 54 2HG ARG 54 -7.989 10.900 -2.299 437 HG3 ARG 54 3HG ARG 54 -8.222 9.408 -3.217 438 HD2 ARG 54 2HD ARG 54 -10.139 10.490 -3.764 439 HD3 ARG 54 3HD ARG 54 -10.714 9.555 -2.380 440 HH11 ARG 54 2HH2 ARG 54 -12.390 10.750 -3.451 441 HH12 ARG 54 1HH2 ARG 54 -13.542 11.954 -3.008 442 HH21 ARG 54 2HH1 ARG 54 -11.264 13.620 -0.770 443 HH22 ARG 54 1HH1 ARG 54 -12.870 13.614 -1.412 444 H THR 55 HN THR 55 -10.894 8.245 -0.131 445 HA THR 55 HA THR 55 -10.532 6.935 2.483 446 HB THR 55 HB THR 55 -13.208 7.249 1.082 447 HG1 THR 55 HG1 THR 55 -12.711 8.753 3.371 448 HG21 THR 55 3HG2 THR 55 -13.036 5.448 2.764 449 HG22 THR 55 1HG2 THR 55 -12.456 6.607 3.970 450 HG23 THR 55 2HG2 THR 55 -14.107 6.743 3.328 451 H LEU 56 HN LEU 56 -10.504 4.727 2.247 452 HA LEU 56 HA LEU 56 -9.887 3.366 -0.082 453 HG LEU 56 HG LEU 56 -9.218 1.077 2.726 454 HB2 LEU 56 2HB LEU 56 -10.826 2.754 2.641 455 HB3 LEU 56 3HB LEU 56 -11.286 1.546 1.466 456 HD11 LEU 56 1HD1 LEU 56 -9.411 1.093 -0.233 457 HD12 LEU 56 2HD1 LEU 56 -8.139 0.193 0.631 458 HD13 LEU 56 3HD1 LEU 56 -9.876 -0.208 0.864 459 HD21 LEU 56 3HD2 LEU 56 -7.650 2.610 0.717 460 HD22 LEU 56 1HD2 LEU 56 -8.155 3.441 2.213 461 HD23 LEU 56 2HD2 LEU 56 -7.219 1.960 2.273 462 H SER 57 HN SER 57 -13.085 4.193 1.106 463 HA SER 57 HA SER 57 -14.549 2.441 -0.530 464 HG SER 57 HG SER 57 -14.704 2.912 2.108 465 HB2 SER 57 2HB SER 57 -15.635 5.067 0.471 466 HB3 SER 57 3HB SER 57 -16.394 3.463 0.448 467 H ASP 58 HN ASP 58 -12.869 5.407 -1.320 468 HA ASP 58 HA ASP 58 -14.604 6.012 -3.642 469 HB2 ASP 58 2HB ASP 58 -14.109 7.879 -2.170 470 HB3 ASP 58 3HB ASP 58 -12.369 7.609 -2.348 471 H TYR 59 HN TYR 59 -11.046 5.822 -3.010 472 HA TYR 59 HA TYR 59 -10.609 5.443 -5.865 473 HD1 TYR 59 HD1 TYR 59 -9.441 5.468 -1.956 474 HD2 TYR 59 HD2 TYR 59 -6.417 4.803 -4.953 475 HE1 TYR 59 HE1 TYR 59 -8.049 4.369 -0.295 476 HE2 TYR 59 HE2 TYR 59 -4.984 3.728 -3.250 477 HH TYR 59 HH TYR 59 -4.834 2.941 -1.086 478 HB2 TYR 59 2HB TYR 59 -8.401 5.802 -5.569 479 HB3 TYR 59 3HB TYR 59 -9.122 6.857 -4.365 480 H ASN 60 HN ASN 60 -12.235 3.547 -5.092 481 HA ASN 60 HA ASN 60 -11.097 1.687 -3.358 482 HB2 ASN 60 2HB ASN 60 -13.270 0.799 -3.181 483 HB3 ASN 60 3HB ASN 60 -13.512 2.485 -3.586 484 HD21 ASN 60 1HD2 ASN 60 -13.880 -0.846 -4.702 485 HD22 ASN 60 2HD2 ASN 60 -14.685 -0.497 -6.213 486 H ILE 61 HN ILE 61 -11.295 -0.626 -3.404 487 HA ILE 61 HA ILE 61 -10.449 -1.995 -5.844 488 HB ILE 61 HB ILE 61 -8.227 -2.358 -4.871 489 HG12 ILE 61 2HG1 ILE 61 -8.496 -1.789 -2.469 490 HG13 ILE 61 3HG1 ILE 61 -7.200 -0.932 -3.280 491 HG21 ILE 61 1HG2 ILE 61 -8.540 -0.661 -6.584 492 HG22 ILE 61 2HG2 ILE 61 -8.652 0.604 -5.373 493 HG23 ILE 61 3HG2 ILE 61 -7.173 -0.333 -5.535 494 HD11 ILE 61 3HD1 ILE 61 -8.643 1.132 -3.323 495 HD12 ILE 61 1HD1 ILE 61 -9.740 0.237 -2.251 496 HD13 ILE 61 2HD1 ILE 61 -8.036 0.559 -1.793 497 H GLN 62 HN GLN 62 -10.858 -4.152 -5.585 498 HA GLN 62 HA GLN 62 -10.735 -5.393 -2.867 499 HB2 GLN 62 2HB GLN 62 -12.959 -5.465 -4.899 500 HB3 GLN 62 3HB GLN 62 -12.610 -6.913 -3.938 501 HG2 GLN 62 2HG GLN 62 -13.061 -5.873 -1.879 502 HG3 GLN 62 3HG GLN 62 -12.891 -4.260 -2.533 503 HE21 GLN 62 1HE2 GLN 62 -15.040 -7.075 -2.497 504 HE22 GLN 62 2HE2 GLN 62 -16.508 -6.167 -2.839 505 H LYS 63 HN LYS 63 -8.912 -6.499 -3.003 506 HA LYS 63 HA LYS 63 -7.380 -8.081 -3.546 507 HB2 LYS 63 2HB LYS 63 -9.548 -9.320 -3.929 508 HB3 LYS 63 3HB LYS 63 -9.331 -9.067 -5.663 509 HG2 LYS 63 2HG LYS 63 -7.246 -10.426 -5.584 510 HG3 LYS 63 3HG LYS 63 -7.458 -10.610 -3.837 511 HD2 LYS 63 2HD LYS 63 -8.501 -12.586 -4.570 512 HD3 LYS 63 3HD LYS 63 -9.865 -11.509 -4.485 513 HE2 LYS 63 2HE LYS 63 -10.263 -12.294 -6.580 514 HE3 LYS 63 3HE LYS 63 -9.190 -10.981 -7.028 515 HZ1 LYS 63 3HZ LYS 63 -7.352 -12.700 -6.989 516 HZ2 LYS 63 1HZ LYS 63 -8.496 -13.844 -6.778 517 HZ3 LYS 63 2HZ LYS 63 -8.507 -12.933 -8.138 518 H GLU 64 HN GLU 64 -8.612 -6.337 -6.367 519 HA GLU 64 HA GLU 64 -6.059 -6.387 -7.815 520 HB2 GLU 64 2HB GLU 64 -8.604 -4.754 -7.972 521 HB3 GLU 64 3HB GLU 64 -7.181 -4.349 -8.916 522 HG2 GLU 64 2HG GLU 64 -7.410 -7.072 -9.424 523 HG3 GLU 64 3HG GLU 64 -9.097 -6.603 -9.249 524 H SER 65 HN SER 65 -6.860 -5.117 -4.871 525 HA SER 65 HA SER 65 -5.681 -2.503 -4.830 526 HG SER 65 HG SER 65 -6.538 -2.707 -1.383 527 HB2 SER 65 2HB SER 65 -7.379 -3.520 -3.297 528 HB3 SER 65 3HB SER 65 -6.135 -4.617 -2.716 529 H THR 66 HN THR 66 -3.809 -4.184 -6.214 530 HA THR 66 HA THR 66 -1.877 -5.078 -4.159 531 HB THR 66 HB THR 66 -2.549 -6.745 -5.677 532 HG1 THR 66 HG1 THR 66 0.018 -5.728 -6.162 533 HG21 THR 66 3HG2 THR 66 -1.826 -4.856 -7.960 534 HG22 THR 66 1HG2 THR 66 -1.966 -6.600 -8.131 535 HG23 THR 66 2HG2 THR 66 -3.367 -5.666 -7.615 536 H LEU 67 HN LEU 67 -1.562 -2.727 -3.705 537 HA LEU 67 HA LEU 67 -0.318 -1.028 -5.651 538 HG LEU 67 HG LEU 67 0.733 -1.878 -2.300 539 HB2 LEU 67 2HB LEU 67 0.073 0.468 -3.881 540 HB3 LEU 67 3HB LEU 67 -1.351 -0.341 -3.414 541 HD11 LEU 67 1HD1 LEU 67 1.399 1.074 -2.201 542 HD12 LEU 67 2HD1 LEU 67 1.951 -0.098 -1.011 543 HD13 LEU 67 3HD1 LEU 67 2.441 -0.288 -2.671 544 HD21 LEU 67 3HD2 LEU 67 -1.112 0.157 -1.124 545 HD22 LEU 67 1HD2 LEU 67 -1.357 -1.574 -1.339 546 HD23 LEU 67 2HD2 LEU 67 -0.137 -0.999 -0.210 547 H HIS 68 HN HIS 68 1.880 -0.166 -5.444 548 HA HIS 68 HA HIS 68 3.825 -2.418 -5.275 549 HD1 HIS 68 HD1 HIS 68 1.152 -2.990 -7.580 550 HD2 HIS 68 HD2 HIS 68 2.444 0.911 -8.397 551 HE1 HIS 68 HE1 HIS 68 -0.691 -1.903 -8.902 552 HB2 HIS 68 2HB HIS 68 4.330 -0.700 -7.512 553 HB3 HIS 68 3HB HIS 68 3.945 -2.405 -7.499 554 H LEU 69 HN LEU 69 4.909 -1.771 -3.505 555 HA LEU 69 HA LEU 69 5.422 0.992 -2.907 556 HG LEU 69 HG LEU 69 5.903 -0.549 0.388 557 HB2 LEU 69 2HB LEU 69 6.646 -1.579 -1.833 558 HB3 LEU 69 3HB LEU 69 7.210 0.010 -1.382 559 HD11 LEU 69 1HD1 LEU 69 3.963 1.044 -1.331 560 HD12 LEU 69 2HD1 LEU 69 4.078 0.962 0.432 561 HD13 LEU 69 3HD1 LEU 69 5.373 1.704 -0.511 562 HD21 LEU 69 3HD2 LEU 69 3.575 -1.428 0.208 563 HD22 LEU 69 1HD2 LEU 69 3.867 -1.712 -1.533 564 HD23 LEU 69 2HD2 LEU 69 4.871 -2.494 -0.282 565 H VAL 70 HN VAL 70 6.511 2.169 -4.150 566 HA VAL 70 HA VAL 70 8.955 1.267 -5.514 567 HB VAL 70 HB VAL 70 7.797 4.067 -5.243 568 HG11 VAL 70 1HG1 VAL 70 9.199 4.539 -7.218 569 HG12 VAL 70 2HG1 VAL 70 10.189 3.944 -5.883 570 HG13 VAL 70 3HG1 VAL 70 9.769 2.857 -7.222 571 HG21 VAL 70 3HG2 VAL 70 6.077 2.784 -6.364 572 HG22 VAL 70 1HG2 VAL 70 6.948 3.693 -7.605 573 HG23 VAL 70 2HG2 VAL 70 7.300 1.973 -7.366 574 H LEU 71 HN LEU 71 10.711 1.141 -4.369 575 HA LEU 71 HA LEU 71 11.608 3.117 -2.480 576 HG LEU 71 HG LEU 71 10.168 -0.286 -2.214 577 HB2 LEU 71 2HB LEU 71 12.069 1.484 -0.624 578 HB3 LEU 71 3HB LEU 71 10.416 1.992 -0.846 579 HD11 LEU 71 1HD1 LEU 71 12.597 -0.972 -2.022 580 HD12 LEU 71 2HD1 LEU 71 12.409 -0.986 -0.273 581 HD13 LEU 71 3HD1 LEU 71 11.481 -2.117 -1.286 582 HD21 LEU 71 3HD2 LEU 71 9.012 0.393 -0.080 583 HD22 LEU 71 1HD2 LEU 71 9.350 -1.339 -0.238 584 HD23 LEU 71 2HD2 LEU 71 10.356 -0.346 0.806 585 H ARG 72 HN ARG 72 12.024 0.037 -4.159 586 HA ARG 72 HA ARG 72 13.576 -0.815 -5.400 587 HE ARG 72 HE ARG 72 15.762 1.254 -10.138 588 HB2 ARG 72 2HB ARG 72 13.286 1.631 -6.245 589 HB3 ARG 72 3HB ARG 72 14.956 1.846 -5.728 590 HG2 ARG 72 2HG ARG 72 15.735 0.209 -7.305 591 HG3 ARG 72 3HG ARG 72 14.102 -0.451 -7.549 592 HD2 ARG 72 2HD ARG 72 13.365 1.698 -8.557 593 HD3 ARG 72 3HD ARG 72 14.966 2.360 -8.312 594 HH11 ARG 72 2HH2 ARG 72 12.430 0.172 -9.556 595 HH12 ARG 72 1HH2 ARG 72 12.428 -1.058 -10.785 596 HH21 ARG 72 2HH1 ARG 72 15.681 -0.157 -11.969 597 HH22 ARG 72 1HH1 ARG 72 14.227 -1.015 -12.367 598 H LEU 73 HN LEU 73 15.619 1.492 -3.546 599 HA LEU 73 HA LEU 73 17.277 -0.761 -2.583 600 HG LEU 73 HG LEU 73 19.226 -1.331 -3.678 601 HB2 LEU 73 2HB LEU 73 18.089 0.614 -4.807 602 HB3 LEU 73 3HB LEU 73 18.750 1.677 -3.576 603 HD11 LEU 73 1HD1 LEU 73 20.057 -0.293 -5.741 604 HD12 LEU 73 2HD1 LEU 73 20.983 0.892 -4.786 605 HD13 LEU 73 3HD1 LEU 73 21.396 -0.835 -4.722 606 HD21 LEU 73 3HD2 LEU 73 19.690 -0.271 -1.467 607 HD22 LEU 73 1HD2 LEU 73 21.157 -0.885 -2.240 608 HD23 LEU 73 2HD2 LEU 73 20.806 0.855 -2.247 609 H ARG 74 HN ARG 74 17.490 -0.421 -0.346 610 HA ARG 74 HA ARG 74 16.160 1.822 0.801 611 HE ARG 74 HE ARG 74 15.964 1.734 5.740 612 HB2 ARG 74 2HB ARG 74 16.424 -0.470 1.868 613 HB3 ARG 74 3HB ARG 74 18.100 -0.063 2.226 614 HG2 ARG 74 2HG ARG 74 17.451 1.696 3.733 615 HG3 ARG 74 3HG ARG 74 15.785 1.676 3.137 616 HD2 ARG 74 2HD ARG 74 15.518 -0.640 4.050 617 HD3 ARG 74 3HD ARG 74 17.108 -0.479 4.809 618 HH11 ARG 74 2HH2 ARG 74 14.224 -1.356 5.369 619 HH12 ARG 74 1HH2 ARG 74 13.326 -1.173 6.834 620 HH21 ARG 74 2HH1 ARG 74 14.788 1.919 7.743 621 HH22 ARG 74 1HH1 ARG 74 13.852 0.580 8.329 622 H GLY 75 HN GLY 75 17.027 3.597 1.993 623 HA2 GLY 75 1HA GLY 75 19.808 4.300 1.900 624 HA3 GLY 75 2HA GLY 75 18.806 5.203 0.731 625 H GLY 76 HN GLY 76 19.060 7.182 1.989 626 HA2 GLY 76 1HA GLY 76 18.251 8.736 3.494 627 HA3 GLY 76 2HA GLY 76 17.183 7.505 4.198 Start of MODEL 8 1 HA MET 1 HA MET 1 -10.976 -8.657 3.082 2 H1 MET 1 HN MET 1 -11.046 -7.406 5.749 3 HB2 MET 1 2HB MET 1 -12.112 -6.596 2.830 4 HB3 MET 1 3HB MET 1 -10.967 -5.725 3.824 5 HG2 MET 1 2HG MET 1 -9.217 -6.060 2.053 6 HG3 MET 1 3HG MET 1 -10.393 -6.983 1.118 7 HE1 MET 1 3HE MET 1 -9.850 -3.401 2.796 8 HE2 MET 1 1HE MET 1 -8.695 -3.641 1.480 9 HE3 MET 1 2HE MET 1 -9.990 -2.418 1.337 10 H GLN 2 HN GLN 2 -9.011 -8.851 2.036 11 HA GLN 2 HA GLN 2 -6.591 -7.886 3.336 12 HB2 GLN 2 2HB GLN 2 -7.211 -10.744 2.542 13 HB3 GLN 2 3HB GLN 2 -5.555 -10.153 2.450 14 HG2 GLN 2 2HG GLN 2 -5.269 -10.089 4.681 15 HG3 GLN 2 3HG GLN 2 -6.944 -9.663 5.051 16 HE21 GLN 2 1HE2 GLN 2 -8.326 -11.263 5.766 17 HE22 GLN 2 2HE2 GLN 2 -7.881 -12.971 5.772 18 H ILE 3 HN ILE 3 -4.914 -7.705 1.763 19 HA ILE 3 HA ILE 3 -5.535 -8.071 -1.035 20 HB ILE 3 HB ILE 3 -5.481 -5.973 -1.729 21 HG12 ILE 3 2HG1 ILE 3 -3.202 -5.387 -0.885 22 HG13 ILE 3 3HG1 ILE 3 -4.319 -4.072 -1.115 23 HG21 ILE 3 1HG2 ILE 3 -6.688 -4.318 -0.416 24 HG22 ILE 3 2HG2 ILE 3 -7.424 -5.931 -0.356 25 HG23 ILE 3 3HG2 ILE 3 -6.514 -5.317 1.034 26 HD11 ILE 3 3HD1 ILE 3 -4.189 -5.288 1.608 27 HD12 ILE 3 1HD1 ILE 3 -2.867 -4.256 1.042 28 HD13 ILE 3 2HD1 ILE 3 -4.518 -3.617 1.107 29 H PHE 4 HN PHE 4 -3.342 -7.645 -2.261 30 HA PHE 4 HA PHE 4 -1.116 -8.615 -0.502 31 HD1 PHE 4 HD2 PHE 4 -1.495 -11.425 -0.743 32 HD2 PHE 4 HD1 PHE 4 -3.330 -9.566 -4.193 33 HE1 PHE 4 HE2 PHE 4 -3.455 -12.929 -0.528 34 HE2 PHE 4 HE1 PHE 4 -5.248 -11.102 -3.983 35 HZ PHE 4 HZ PHE 4 -5.347 -12.731 -2.109 36 HB2 PHE 4 2HB PHE 4 -1.131 -8.924 -3.499 37 HB3 PHE 4 3HB PHE 4 -0.232 -9.806 -2.312 38 H VAL 5 HN VAL 5 1.052 -7.795 -1.134 39 HA VAL 5 HA VAL 5 1.021 -5.363 -2.827 40 HB VAL 5 HB VAL 5 2.301 -5.482 -0.063 41 HG11 VAL 5 1HG1 VAL 5 2.819 -3.113 -0.480 42 HG12 VAL 5 2HG1 VAL 5 3.573 -4.143 -1.678 43 HG13 VAL 5 3HG1 VAL 5 2.121 -3.234 -2.114 44 HG21 VAL 5 3HG2 VAL 5 0.737 -3.622 0.524 45 HG22 VAL 5 1HG2 VAL 5 -0.174 -3.974 -0.961 46 HG23 VAL 5 2HG2 VAL 5 -0.053 -5.188 0.319 47 H LYS 6 HN LYS 6 2.418 -5.925 -4.443 48 HA LYS 6 HA LYS 6 4.755 -7.614 -3.798 49 HB2 LYS 6 2HB LYS 6 3.939 -6.176 -6.365 50 HB3 LYS 6 3HB LYS 6 5.351 -7.234 -6.169 51 HG2 LYS 6 2HG LYS 6 3.741 -9.052 -5.370 52 HG3 LYS 6 3HG LYS 6 2.410 -8.042 -5.928 53 HD2 LYS 6 2HD LYS 6 4.676 -9.149 -7.663 54 HD3 LYS 6 3HD LYS 6 3.073 -9.837 -7.488 55 HE2 LYS 6 2HE LYS 6 2.833 -8.700 -9.461 56 HE3 LYS 6 3HE LYS 6 2.147 -7.557 -8.307 57 HZ1 LYS 6 3HZ LYS 6 3.619 -6.483 -9.884 58 HZ2 LYS 6 1HZ LYS 6 4.294 -6.381 -8.395 59 HZ3 LYS 6 2HZ LYS 6 4.860 -7.491 -9.476 60 H THR 7 HN THR 7 6.876 -6.787 -3.781 61 HA THR 7 HA THR 7 7.212 -3.900 -3.227 62 HB THR 7 HB THR 7 8.578 -4.769 -1.195 63 HG1 THR 7 HG1 THR 7 8.244 -7.071 -1.946 64 HG21 THR 7 3HG2 THR 7 6.674 -4.874 0.324 65 HG22 THR 7 1HG2 THR 7 6.463 -3.574 -0.850 66 HG23 THR 7 2HG2 THR 7 5.559 -5.100 -1.039 67 H LEU 8 HN LEU 8 9.840 -3.763 -2.695 68 HA LEU 8 HA LEU 8 11.086 -4.972 -5.086 69 HG LEU 8 HG LEU 8 13.317 -2.078 -5.186 70 HB2 LEU 8 2HB LEU 8 11.389 -2.520 -3.797 71 HB3 LEU 8 3HB LEU 8 12.798 -3.395 -3.246 72 HD11 LEU 8 1HD1 LEU 8 13.216 -4.966 -6.130 73 HD12 LEU 8 2HD1 LEU 8 14.304 -3.684 -6.689 74 HD13 LEU 8 3HD1 LEU 8 14.439 -4.300 -5.038 75 HD21 LEU 8 3HD2 LEU 8 11.195 -3.583 -6.775 76 HD22 LEU 8 1HD2 LEU 8 11.040 -1.923 -6.155 77 HD23 LEU 8 2HD2 LEU 8 12.275 -2.307 -7.355 78 H THR 9 HN THR 9 11.187 -5.228 -1.515 79 HA THR 9 HA THR 9 13.475 -7.033 -1.601 80 HB THR 9 HB THR 9 11.694 -6.377 0.757 81 HG1 THR 9 HG1 THR 9 12.380 -4.477 0.053 82 HG21 THR 9 3HG2 THR 9 14.574 -7.366 0.467 83 HG22 THR 9 1HG2 THR 9 13.851 -6.857 1.998 84 HG23 THR 9 2HG2 THR 9 13.207 -8.267 1.158 85 H GLY 10 HN GLY 10 10.149 -7.525 -0.226 86 HA2 GLY 10 1HA GLY 10 10.440 -10.417 -0.683 87 HA3 GLY 10 2HA GLY 10 9.153 -9.582 0.192 88 H LYS 11 HN LYS 11 8.390 -11.503 -1.461 89 HA LYS 11 HA LYS 11 7.295 -10.154 -3.883 90 HB2 LYS 11 2HB LYS 11 7.452 -12.239 -5.099 91 HB3 LYS 11 3HB LYS 11 9.017 -11.641 -4.559 92 HG2 LYS 11 2HG LYS 11 8.624 -13.329 -2.527 93 HG3 LYS 11 3HG LYS 11 7.482 -14.073 -3.637 94 HD2 LYS 11 2HD LYS 11 9.153 -15.172 -4.591 95 HD3 LYS 11 3HD LYS 11 9.860 -13.660 -5.160 96 HE2 LYS 11 2HE LYS 11 11.078 -13.407 -3.013 97 HE3 LYS 11 3HE LYS 11 10.358 -14.912 -2.422 98 HZ1 LYS 11 3HZ LYS 11 12.587 -15.233 -3.285 99 HZ2 LYS 11 1HZ LYS 11 11.521 -16.087 -4.190 100 HZ3 LYS 11 2HZ LYS 11 12.141 -14.680 -4.771 101 H THR 12 HN THR 12 5.497 -9.534 -2.994 102 HA THR 12 HA THR 12 3.472 -9.434 -2.159 103 HB THR 12 HB THR 12 3.382 -12.384 -2.640 104 HG1 THR 12 HG1 THR 12 2.153 -11.684 -4.263 105 HG21 THR 12 3HG2 THR 12 2.021 -12.236 -0.694 106 HG22 THR 12 1HG2 THR 12 1.347 -10.677 -1.169 107 HG23 THR 12 2HG2 THR 12 0.911 -12.156 -2.070 108 H ILE 13 HN ILE 13 3.165 -8.659 -0.264 109 HA ILE 13 HA ILE 13 3.700 -10.333 2.110 110 HB ILE 13 HB ILE 13 5.218 -8.545 2.247 111 HG12 ILE 13 2HG1 ILE 13 3.857 -9.222 4.283 112 HG13 ILE 13 3HG1 ILE 13 4.896 -7.809 4.344 113 HG21 ILE 13 1HG2 ILE 13 2.989 -6.543 1.789 114 HG22 ILE 13 2HG2 ILE 13 4.653 -6.150 2.275 115 HG23 ILE 13 3HG2 ILE 13 4.349 -6.877 0.700 116 HD11 ILE 13 3HD1 ILE 13 3.078 -6.284 4.320 117 HD12 ILE 13 1HD1 ILE 13 1.913 -7.540 3.860 118 HD13 ILE 13 2HD1 ILE 13 2.654 -7.561 5.470 119 H THR 14 HN THR 14 1.958 -10.666 3.363 120 HA THR 14 HA THR 14 -0.631 -10.380 2.115 121 HB THR 14 HB THR 14 -0.057 -11.459 4.906 122 HG1 THR 14 HG1 THR 14 1.423 -12.473 3.813 123 HG21 THR 14 3HG2 THR 14 -2.009 -12.282 2.709 124 HG22 THR 14 1HG2 THR 14 -1.881 -13.004 4.327 125 HG23 THR 14 2HG2 THR 14 -2.419 -11.327 4.155 126 H LEU 15 HN LEU 15 -2.047 -8.657 2.526 127 HA LEU 15 HA LEU 15 -1.373 -6.992 4.881 128 HG LEU 15 HG LEU 15 -0.897 -4.047 2.753 129 HB2 LEU 15 2HB LEU 15 -0.519 -6.392 2.521 130 HB3 LEU 15 3HB LEU 15 -2.176 -6.031 2.142 131 HD11 LEU 15 1HD1 LEU 15 -2.742 -4.524 5.119 132 HD12 LEU 15 2HD1 LEU 15 -2.295 -2.983 4.368 133 HD13 LEU 15 3HD1 LEU 15 -3.321 -4.122 3.501 134 HD21 LEU 15 3HD2 LEU 15 0.742 -5.290 4.215 135 HD22 LEU 15 1HD2 LEU 15 0.200 -3.727 4.850 136 HD23 LEU 15 2HD2 LEU 15 -0.463 -5.200 5.524 137 H GLU 16 HN GLU 16 -2.942 -7.004 6.256 138 HA GLU 16 HA GLU 16 -5.697 -7.687 5.473 139 HB2 GLU 16 2HB GLU 16 -4.197 -7.440 8.121 140 HB3 GLU 16 3HB GLU 16 -5.893 -7.926 7.976 141 HG2 GLU 16 2HG GLU 16 -5.379 -10.002 7.086 142 HG3 GLU 16 3HG GLU 16 -3.884 -9.478 6.332 143 H VAL 17 HN VAL 17 -6.906 -5.868 4.880 144 HA VAL 17 HA VAL 17 -7.006 -3.661 6.704 145 HB VAL 17 HB VAL 17 -5.088 -2.999 5.298 146 HG11 VAL 17 1HG1 VAL 17 -5.280 -2.437 2.968 147 HG12 VAL 17 2HG1 VAL 17 -5.695 -4.152 3.192 148 HG13 VAL 17 3HG1 VAL 17 -6.979 -2.959 2.929 149 HG21 VAL 17 3HG2 VAL 17 -6.896 -1.351 6.184 150 HG22 VAL 17 1HG2 VAL 17 -5.689 -0.785 5.053 151 HG23 VAL 17 2HG2 VAL 17 -7.346 -1.159 4.493 152 H GLU 18 HN GLU 18 -8.853 -2.389 6.232 153 HA GLU 18 HA GLU 18 -11.012 -3.774 4.810 154 HB2 GLU 18 2HB GLU 18 -12.449 -2.660 6.394 155 HB3 GLU 18 3HB GLU 18 -11.245 -3.607 7.244 156 HG2 GLU 18 2HG GLU 18 -10.988 -0.582 6.835 157 HG3 GLU 18 3HG GLU 18 -11.912 -1.298 8.139 158 HA PRO 19 HA PRO 19 -11.453 0.066 2.489 159 HB2 PRO 19 2HB PRO 19 -13.992 -0.049 1.568 160 HB3 PRO 19 3HB PRO 19 -12.721 -1.162 0.973 161 HG2 PRO 19 2HG PRO 19 -14.822 -1.669 3.095 162 HG3 PRO 19 3HG PRO 19 -14.341 -2.742 1.746 163 HD2 PRO 19 2HD PRO 19 -13.340 -2.989 4.304 164 HD3 PRO 19 3HD PRO 19 -12.435 -3.456 2.852 165 H SER 20 HN SER 20 -13.047 1.944 2.465 166 HA SER 20 HA SER 20 -13.493 3.814 3.561 167 HG SER 20 HG SER 20 -16.078 4.071 3.993 168 HB2 SER 20 2HB SER 20 -14.977 1.928 5.345 169 HB3 SER 20 3HB SER 20 -14.918 3.672 5.644 170 H ASP 21 HN ASP 21 -11.240 1.719 4.818 171 HA ASP 21 HA ASP 21 -10.113 3.478 6.766 172 HB2 ASP 21 2HB ASP 21 -9.623 0.975 5.980 173 HB3 ASP 21 3HB ASP 21 -8.476 1.769 4.888 174 H THR 22 HN THR 22 -7.750 4.482 5.941 175 HA THR 22 HA THR 22 -8.268 5.978 3.394 176 HB THR 22 HB THR 22 -6.932 7.827 4.273 177 HG1 THR 22 HG1 THR 22 -6.412 7.877 6.429 178 HG21 THR 22 3HG2 THR 22 -8.611 8.742 5.809 179 HG22 THR 22 1HG2 THR 22 -9.374 7.927 4.434 180 HG23 THR 22 2HG2 THR 22 -9.307 7.118 6.009 181 H ILE 23 HN ILE 23 -6.210 6.884 2.448 182 HA ILE 23 HA ILE 23 -4.740 4.503 1.757 183 HB ILE 23 HB ILE 23 -4.835 7.344 0.809 184 HG12 ILE 23 2HG1 ILE 23 -5.313 6.281 -1.363 185 HG13 ILE 23 3HG1 ILE 23 -5.202 4.691 -0.595 186 HG21 ILE 23 1HG2 ILE 23 -2.448 6.908 0.913 187 HG22 ILE 23 2HG2 ILE 23 -2.692 5.414 -0.021 188 HG23 ILE 23 3HG2 ILE 23 -3.029 7.051 -0.702 189 HD11 ILE 23 3HD1 ILE 23 -7.207 6.883 0.140 190 HD12 ILE 23 1HD1 ILE 23 -7.594 5.462 -0.833 191 HD13 ILE 23 2HD1 ILE 23 -7.173 5.238 0.823 192 H GLU 24 HN GLU 24 -4.020 7.451 3.794 193 HA GLU 24 HA GLU 24 -1.301 6.791 4.074 194 HB2 GLU 24 2HB GLU 24 -1.038 8.271 5.703 195 HB3 GLU 24 3HB GLU 24 -2.349 8.965 4.784 196 HG2 GLU 24 2HG GLU 24 -3.940 8.178 6.589 197 HG3 GLU 24 3HG GLU 24 -2.598 7.418 7.422 198 H ASN 25 HN ASN 25 -4.210 5.537 5.735 199 HA ASN 25 HA ASN 25 -2.681 4.186 7.752 200 HB2 ASN 25 2HB ASN 25 -5.221 4.771 7.717 201 HB3 ASN 25 3HB ASN 25 -5.388 3.271 6.793 202 HD21 ASN 25 1HD2 ASN 25 -6.439 2.108 8.427 203 HD22 ASN 25 2HD2 ASN 25 -5.666 1.567 9.912 204 H VAL 26 HN VAL 26 -3.974 3.189 4.583 205 HA VAL 26 HA VAL 26 -3.222 0.444 4.720 206 HB VAL 26 HB VAL 26 -3.401 2.321 2.327 207 HG11 VAL 26 1HG1 VAL 26 -3.398 -0.721 2.494 208 HG12 VAL 26 2HG1 VAL 26 -3.725 0.238 1.025 209 HG13 VAL 26 3HG1 VAL 26 -2.137 0.299 1.776 210 HG21 VAL 26 3HG2 VAL 26 -5.449 0.229 3.149 211 HG22 VAL 26 1HG2 VAL 26 -5.566 1.885 3.723 212 HG23 VAL 26 2HG2 VAL 26 -5.594 1.544 1.980 213 H LYS 27 HN LYS 27 -1.391 3.318 3.499 214 HA LYS 27 HA LYS 27 0.947 1.728 2.929 215 HB2 LYS 27 2HB LYS 27 2.117 3.702 2.491 216 HB3 LYS 27 3HB LYS 27 0.497 3.788 1.811 217 HG2 LYS 27 2HG LYS 27 -0.249 5.141 3.653 218 HG3 LYS 27 3HG LYS 27 1.383 5.249 4.294 219 HD2 LYS 27 2HD LYS 27 0.426 6.170 1.532 220 HD3 LYS 27 3HD LYS 27 0.710 7.239 2.902 221 HE2 LYS 27 2HE LYS 27 2.884 5.446 1.736 222 HE3 LYS 27 3HE LYS 27 2.580 7.094 1.163 223 HZ1 LYS 27 3HZ LYS 27 3.160 7.975 3.231 224 HZ2 LYS 27 1HZ LYS 27 3.138 6.518 4.007 225 HZ3 LYS 27 2HZ LYS 27 4.313 6.865 2.907 226 H ALA 28 HN ALA 28 -0.246 3.288 5.848 227 HA ALA 28 HA ALA 28 2.143 3.024 7.347 228 HB1 ALA 28 1HB ALA 28 -0.749 3.049 8.231 229 HB2 ALA 28 2HB ALA 28 0.654 3.265 9.230 230 HB3 ALA 28 3HB ALA 28 0.302 4.463 7.981 231 H LYS 29 HN LYS 29 -0.609 0.775 6.739 232 HA LYS 29 HA LYS 29 0.255 -1.227 8.558 233 HB2 LYS 29 2HB LYS 29 -0.992 -1.818 5.848 234 HB3 LYS 29 3HB LYS 29 -0.970 -2.827 7.289 235 HG2 LYS 29 2HG LYS 29 -2.262 -0.651 8.288 236 HG3 LYS 29 3HG LYS 29 -2.684 -0.502 6.575 237 HD2 LYS 29 2HD LYS 29 -4.426 -1.810 7.302 238 HD3 LYS 29 3HD LYS 29 -3.290 -3.029 6.732 239 HE2 LYS 29 2HE LYS 29 -3.891 -3.892 8.807 240 HE3 LYS 29 3HE LYS 29 -2.405 -3.034 9.210 241 HZ1 LYS 29 3HZ LYS 29 -4.223 -2.664 10.743 242 HZ2 LYS 29 1HZ LYS 29 -3.765 -1.225 10.058 243 HZ3 LYS 29 2HZ LYS 29 -5.137 -1.940 9.564 244 H ILE 30 HN ILE 30 1.034 -0.830 5.063 245 HA ILE 30 HA ILE 30 2.859 -3.056 5.187 246 HB ILE 30 HB ILE 30 3.908 -1.795 3.113 247 HG12 ILE 30 2HG1 ILE 30 2.045 0.103 3.577 248 HG13 ILE 30 3HG1 ILE 30 2.942 -0.149 2.105 249 HG21 ILE 30 1HG2 ILE 30 1.360 -3.357 2.914 250 HG22 ILE 30 2HG2 ILE 30 2.669 -3.188 1.728 251 HG23 ILE 30 3HG2 ILE 30 2.975 -4.017 3.238 252 HD11 ILE 30 3HD1 ILE 30 1.127 -1.429 1.131 253 HD12 ILE 30 1HD1 ILE 30 0.246 -1.409 2.693 254 HD13 ILE 30 2HD1 ILE 30 0.464 0.070 1.768 255 H GLN 31 HN GLN 31 3.456 0.459 5.759 256 HA GLN 31 HA GLN 31 6.287 0.052 5.667 257 HB2 GLN 31 2HB GLN 31 6.507 2.276 6.385 258 HB3 GLN 31 3HB GLN 31 5.045 2.225 5.492 259 HG2 GLN 31 2HG GLN 31 4.287 3.462 7.137 260 HG3 GLN 31 3HG GLN 31 3.912 1.901 7.826 261 HE21 GLN 31 1HE2 GLN 31 6.171 1.070 9.312 262 HE22 GLN 31 2HE2 GLN 31 6.473 2.327 10.449 263 H ASP 32 HN ASP 32 3.852 -0.265 8.292 264 HA ASP 32 HA ASP 32 5.716 -0.919 10.350 265 HB2 ASP 32 2HB ASP 32 3.479 -0.180 10.860 266 HB3 ASP 32 3HB ASP 32 2.771 -1.569 10.021 267 H LYS 33 HN LYS 33 3.668 -3.071 8.309 268 HA LYS 33 HA LYS 33 4.693 -5.441 9.515 269 HB2 LYS 33 2HB LYS 33 3.331 -5.045 6.815 270 HB3 LYS 33 3HB LYS 33 3.682 -6.617 7.550 271 HG2 LYS 33 2HG LYS 33 2.325 -5.923 9.566 272 HG3 LYS 33 3HG LYS 33 1.837 -4.480 8.686 273 HD2 LYS 33 2HD LYS 33 0.090 -5.899 8.191 274 HD3 LYS 33 3HD LYS 33 1.143 -6.202 6.789 275 HE2 LYS 33 2HE LYS 33 2.103 -8.180 7.971 276 HE3 LYS 33 3HE LYS 33 1.113 -7.811 9.379 277 HZ1 LYS 33 3HZ LYS 33 0.063 -8.659 6.739 278 HZ2 LYS 33 1HZ LYS 33 0.157 -9.562 8.103 279 HZ3 LYS 33 2HZ LYS 33 -0.868 -8.349 8.092 280 H GLU 34 HN GLU 34 5.989 -3.540 6.848 281 HA GLU 34 HA GLU 34 7.978 -5.687 6.329 282 HB2 GLU 34 2HB GLU 34 6.686 -4.315 4.495 283 HB3 GLU 34 3HB GLU 34 7.868 -3.052 4.879 284 HG2 GLU 34 2HG GLU 34 9.686 -4.819 4.479 285 HG3 GLU 34 3HG GLU 34 8.400 -5.914 3.966 286 H GLY 35 HN GLY 35 7.502 -3.382 8.612 287 HA2 GLY 35 1HA GLY 35 8.680 -2.210 10.069 288 HA3 GLY 35 2HA GLY 35 9.886 -3.482 9.891 289 H ILE 36 HN ILE 36 8.688 -0.521 8.307 290 HA ILE 36 HA ILE 36 11.350 0.584 7.836 291 HB ILE 36 HB ILE 36 11.013 -0.784 5.891 292 HG12 ILE 36 2HG1 ILE 36 10.359 2.089 5.184 293 HG13 ILE 36 3HG1 ILE 36 11.963 1.413 5.500 294 HG21 ILE 36 1HG2 ILE 36 8.511 -1.088 6.014 295 HG22 ILE 36 2HG2 ILE 36 8.352 0.519 5.268 296 HG23 ILE 36 3HG2 ILE 36 9.140 -0.834 4.414 297 HD11 ILE 36 3HD1 ILE 36 11.624 -0.123 3.544 298 HD12 ILE 36 1HD1 ILE 36 10.103 0.738 3.186 299 HD13 ILE 36 2HD1 ILE 36 11.634 1.600 3.112 300 HA PRO 37 HA PRO 37 8.543 3.986 8.808 301 HB2 PRO 37 2HB PRO 37 10.140 6.190 8.231 302 HB3 PRO 37 3HB PRO 37 10.276 5.181 9.698 303 HG2 PRO 37 2HG PRO 37 11.912 5.078 7.171 304 HG3 PRO 37 3HG PRO 37 12.467 4.978 8.868 305 HD2 PRO 37 2HD PRO 37 12.118 2.761 7.292 306 HD3 PRO 37 3HD PRO 37 11.839 2.744 9.058 307 HA PRO 38 HA PRO 38 6.616 5.033 5.021 308 HB2 PRO 38 2HB PRO 38 5.215 7.296 5.515 309 HB3 PRO 38 3HB PRO 38 4.926 5.781 6.430 310 HG2 PRO 38 2HG PRO 38 6.492 8.208 7.282 311 HG3 PRO 38 3HG PRO 38 5.352 7.208 8.229 312 HD2 PRO 38 2HD PRO 38 8.149 6.977 8.193 313 HD3 PRO 38 3HD PRO 38 7.063 5.714 8.779 314 H ASP 39 HN ASP 39 9.139 6.955 6.038 315 HA ASP 39 HA ASP 39 9.452 9.134 4.376 316 HB2 ASP 39 2HB ASP 39 10.885 8.513 6.269 317 HB3 ASP 39 3HB ASP 39 11.453 7.089 5.416 318 H GLN 40 HN GLN 40 9.857 5.726 3.591 319 HA GLN 40 HA GLN 40 10.269 6.466 0.730 320 HB2 GLN 40 2HB GLN 40 12.272 5.561 1.977 321 HB3 GLN 40 3HB GLN 40 11.399 4.025 2.147 322 HG2 GLN 40 2HG GLN 40 11.416 3.664 -0.224 323 HG3 GLN 40 3HG GLN 40 11.885 5.337 -0.534 324 HE21 GLN 40 1HE2 GLN 40 13.443 3.177 1.956 325 HE22 GLN 40 2HE2 GLN 40 14.994 3.197 1.216 326 H GLN 41 HN GLN 41 8.416 4.492 3.006 327 HA GLN 41 HA GLN 41 7.515 2.610 1.031 328 HB2 GLN 41 2HB GLN 41 7.658 2.312 3.586 329 HB3 GLN 41 3HB GLN 41 6.167 3.213 3.679 330 HG2 GLN 41 2HG GLN 41 5.437 1.000 3.721 331 HG3 GLN 41 3HG GLN 41 5.216 1.383 2.047 332 HE21 GLN 41 1HE2 GLN 41 6.113 -1.241 3.871 333 HE22 GLN 41 2HE2 GLN 41 7.319 -1.876 2.793 334 H ARG 42 HN ARG 42 6.704 3.681 -0.673 335 HA ARG 42 HA ARG 42 4.683 5.733 -0.545 336 HE ARG 42 HE ARG 42 5.484 7.668 -3.150 337 HB2 ARG 42 2HB ARG 42 5.477 4.066 -2.979 338 HB3 ARG 42 3HB ARG 42 4.770 5.682 -2.948 339 HG2 ARG 42 2HG ARG 42 7.007 6.258 -1.562 340 HG3 ARG 42 3HG ARG 42 7.596 4.806 -2.381 341 HD2 ARG 42 2HD ARG 42 8.198 6.605 -3.770 342 HD3 ARG 42 3HD ARG 42 6.794 5.881 -4.573 343 HH11 ARG 42 2HH2 ARG 42 8.657 8.337 -4.606 344 HH12 ARG 42 1HH2 ARG 42 8.656 9.984 -4.083 345 HH21 ARG 42 2HH1 ARG 42 5.325 9.734 -2.759 346 HH22 ARG 42 1HH1 ARG 42 6.487 10.927 -3.251 347 H LEU 43 HN LEU 43 2.827 5.175 -2.534 348 HA LEU 43 HA LEU 43 1.595 2.612 -2.253 349 HG LEU 43 HG LEU 43 -1.196 3.518 0.190 350 HB2 LEU 43 2HB LEU 43 0.994 4.247 -0.214 351 HB3 LEU 43 3HB LEU 43 -0.003 5.044 -1.315 352 HD11 LEU 43 1HD1 LEU 43 -2.484 2.052 -1.262 353 HD12 LEU 43 2HD1 LEU 43 -2.331 3.624 -1.984 354 HD13 LEU 43 3HD1 LEU 43 -1.321 2.312 -2.585 355 HD21 LEU 43 3HD2 LEU 43 -0.738 1.160 0.268 356 HD22 LEU 43 1HD2 LEU 43 0.446 1.280 -1.035 357 HD23 LEU 43 2HD2 LEU 43 0.797 2.029 0.511 358 H ILE 44 HN ILE 44 0.081 2.417 -4.169 359 HA ILE 44 HA ILE 44 -0.968 4.757 -5.393 360 HB ILE 44 HB ILE 44 1.400 4.715 -6.354 361 HG12 ILE 44 2HG1 ILE 44 -0.875 4.427 -8.350 362 HG13 ILE 44 3HG1 ILE 44 -0.588 5.831 -7.317 363 HG21 ILE 44 1HG2 ILE 44 1.488 2.177 -6.594 364 HG22 ILE 44 2HG2 ILE 44 0.400 2.375 -7.986 365 HG23 ILE 44 3HG2 ILE 44 2.015 3.111 -7.998 366 HD11 ILE 44 3HD1 ILE 44 1.300 4.821 -9.463 367 HD12 ILE 44 1HD1 ILE 44 0.341 6.313 -9.470 368 HD13 ILE 44 2HD1 ILE 44 1.664 6.129 -8.313 369 H PHE 45 HN PHE 45 -3.031 4.048 -6.179 370 HA PHE 45 HA PHE 45 -3.488 1.245 -5.753 371 HD1 PHE 45 HD1 PHE 45 -5.213 0.125 -5.049 372 HD2 PHE 45 HD2 PHE 45 -6.183 4.210 -4.225 373 HE1 PHE 45 HE1 PHE 45 -5.726 -0.499 -2.718 374 HE2 PHE 45 HE2 PHE 45 -6.803 3.553 -1.869 375 HZ PHE 45 HZ PHE 45 -6.521 1.221 -1.120 376 HB2 PHE 45 2HB PHE 45 -5.223 3.615 -6.366 377 HB3 PHE 45 3HB PHE 45 -5.846 2.047 -6.859 378 H ALA 46 HN ALA 46 -3.762 3.193 -8.692 379 HA ALA 46 HA ALA 46 -3.648 0.708 -10.342 380 HB1 ALA 46 1HB ALA 46 -5.652 2.980 -10.600 381 HB2 ALA 46 2HB ALA 46 -5.628 1.454 -11.512 382 HB3 ALA 46 3HB ALA 46 -6.000 1.436 -9.789 383 H GLY 47 HN GLY 47 -1.754 3.074 -9.760 384 HA2 GLY 47 1HA GLY 47 -0.129 4.036 -11.187 385 HA3 GLY 47 2HA GLY 47 -1.214 3.879 -12.560 386 H LYS 48 HN LYS 48 -3.097 5.196 -10.090 387 HA LYS 48 HA LYS 48 -2.785 7.875 -11.303 388 HB2 LYS 48 2HB LYS 48 -4.945 7.842 -11.497 389 HB3 LYS 48 3HB LYS 48 -5.026 6.228 -10.857 390 HG2 LYS 48 2HG LYS 48 -5.256 8.751 -9.161 391 HG3 LYS 48 3HG LYS 48 -6.597 7.921 -9.908 392 HD2 LYS 48 2HD LYS 48 -6.293 5.940 -8.528 393 HD3 LYS 48 3HD LYS 48 -4.794 6.586 -7.847 394 HE2 LYS 48 2HE LYS 48 -6.559 7.008 -6.229 395 HE3 LYS 48 3HE LYS 48 -6.064 8.549 -6.942 396 HZ1 LYS 48 3HZ LYS 48 -8.367 8.592 -6.946 397 HZ2 LYS 48 1HZ LYS 48 -8.036 8.190 -8.494 398 HZ3 LYS 48 2HZ LYS 48 -8.526 7.031 -7.481 399 H GLN 49 HN GLN 49 -2.779 9.744 -10.088 400 HA GLN 49 HA GLN 49 -1.122 10.473 -8.423 401 HB2 GLN 49 2HB GLN 49 -3.425 11.658 -9.286 402 HB3 GLN 49 3HB GLN 49 -3.756 11.614 -7.553 403 HG2 GLN 49 2HG GLN 49 -1.445 12.693 -7.253 404 HG3 GLN 49 3HG GLN 49 -1.434 12.940 -8.990 405 HE21 GLN 49 1HE2 GLN 49 -1.252 15.058 -7.143 406 HE22 GLN 49 2HE2 GLN 49 -2.690 16.061 -7.261 407 H LEU 50 HN LEU 50 -4.110 9.350 -6.939 408 HA LEU 50 HA LEU 50 -4.518 7.894 -5.302 409 HG LEU 50 HG LEU 50 -3.498 7.235 -2.733 410 HB2 LEU 50 2HB LEU 50 -2.255 6.897 -5.492 411 HB3 LEU 50 3HB LEU 50 -1.667 8.126 -4.369 412 HD11 LEU 50 1HD1 LEU 50 -4.083 4.932 -2.989 413 HD12 LEU 50 2HD1 LEU 50 -4.605 5.782 -4.455 414 HD13 LEU 50 3HD1 LEU 50 -3.121 4.793 -4.466 415 HD21 LEU 50 3HD2 LEU 50 -1.861 5.618 -1.988 416 HD22 LEU 50 1HD2 LEU 50 -0.999 5.797 -3.519 417 HD23 LEU 50 2HD2 LEU 50 -1.124 7.158 -2.397 418 H GLU 51 HN GLU 51 -3.009 11.038 -4.509 419 HA GLU 51 HA GLU 51 -3.967 12.752 -3.465 420 HB2 GLU 51 2HB GLU 51 -6.102 11.262 -4.261 421 HB3 GLU 51 3HB GLU 51 -6.401 11.431 -2.516 422 HG2 GLU 51 2HG GLU 51 -6.431 13.850 -2.738 423 HG3 GLU 51 3HG GLU 51 -5.986 13.732 -4.447 424 H ASP 52 HN ASP 52 -4.378 9.770 -1.619 425 HA ASP 52 HA ASP 52 -3.589 9.056 0.341 426 HB2 ASP 52 2HB ASP 52 -2.759 11.790 1.273 427 HB3 ASP 52 3HB ASP 52 -2.372 10.219 1.961 428 H GLY 53 HN GLY 53 -4.731 12.302 1.404 429 HA2 GLY 53 1HA GLY 53 -6.223 11.152 3.531 430 HA3 GLY 53 2HA GLY 53 -6.212 12.850 3.056 431 H ARG 54 HN ARG 54 -7.526 9.684 2.064 432 HA ARG 54 HA ARG 54 -10.139 10.782 1.334 433 HE ARG 54 HE ARG 54 -11.900 9.917 -3.437 434 HB2 ARG 54 2HB ARG 54 -7.976 10.823 -0.485 435 HB3 ARG 54 3HB ARG 54 -8.782 9.317 -0.877 436 HG2 ARG 54 2HG ARG 54 -10.190 12.010 -0.632 437 HG3 ARG 54 3HG ARG 54 -9.520 11.430 -2.130 438 HD2 ARG 54 2HD ARG 54 -11.006 9.252 -1.508 439 HD3 ARG 54 3HD ARG 54 -11.953 10.488 -0.654 440 HH11 ARG 54 2HH2 ARG 54 -11.985 12.831 -1.391 441 HH12 ARG 54 1HH2 ARG 54 -12.574 13.835 -2.654 442 HH21 ARG 54 2HH1 ARG 54 -12.622 11.072 -4.971 443 HH22 ARG 54 1HH1 ARG 54 -12.817 12.809 -4.960 444 H THR 55 HN THR 55 -11.631 9.044 0.734 445 HA THR 55 HA THR 55 -11.197 6.800 2.381 446 HB THR 55 HB THR 55 -13.439 6.939 0.348 447 HG1 THR 55 HG1 THR 55 -13.866 8.866 0.906 448 HG21 THR 55 3HG2 THR 55 -13.339 6.361 3.340 449 HG22 THR 55 1HG2 THR 55 -14.746 6.165 2.259 450 HG23 THR 55 2HG2 THR 55 -13.308 5.155 2.062 451 H LEU 56 HN LEU 56 -10.532 4.806 1.926 452 HA LEU 56 HA LEU 56 -9.859 3.375 -0.357 453 HG LEU 56 HG LEU 56 -9.630 1.580 2.921 454 HB2 LEU 56 2HB LEU 56 -11.254 2.880 2.242 455 HB3 LEU 56 3HB LEU 56 -11.421 1.620 1.058 456 HD11 LEU 56 1HD1 LEU 56 -8.591 -0.122 1.867 457 HD12 LEU 56 2HD1 LEU 56 -10.002 -0.004 0.815 458 HD13 LEU 56 3HD1 LEU 56 -8.446 0.710 0.327 459 HD21 LEU 56 3HD2 LEU 56 -7.835 2.857 0.831 460 HD22 LEU 56 1HD2 LEU 56 -8.560 3.793 2.144 461 HD23 LEU 56 2HD2 LEU 56 -7.514 2.461 2.540 462 H SER 57 HN SER 57 -13.087 4.324 0.688 463 HA SER 57 HA SER 57 -14.631 2.599 -0.914 464 HG SER 57 HG SER 57 -17.357 4.000 0.508 465 HB2 SER 57 2HB SER 57 -15.360 3.889 1.109 466 HB3 SER 57 3HB SER 57 -15.354 5.369 0.134 467 H ASP 58 HN ASP 58 -13.024 5.696 -1.754 468 HA ASP 58 HA ASP 58 -14.588 6.068 -4.218 469 HB2 ASP 58 2HB ASP 58 -13.634 8.018 -3.138 470 HB3 ASP 58 3HB ASP 58 -12.020 7.326 -3.172 471 H TYR 59 HN TYR 59 -11.184 5.275 -3.418 472 HA TYR 59 HA TYR 59 -10.623 4.663 -6.092 473 HD1 TYR 59 HD1 TYR 59 -10.236 6.714 -5.666 474 HD2 TYR 59 HD2 TYR 59 -7.237 5.464 -2.861 475 HE1 TYR 59 HE1 TYR 59 -9.847 9.038 -5.089 476 HE2 TYR 59 HE2 TYR 59 -6.869 7.824 -2.238 477 HH TYR 59 HH TYR 59 -8.362 10.559 -3.992 478 HB2 TYR 59 2HB TYR 59 -8.996 3.840 -3.676 479 HB3 TYR 59 3HB TYR 59 -8.410 4.039 -5.335 480 H ASN 60 HN ASN 60 -11.725 2.615 -3.597 481 HA ASN 60 HA ASN 60 -12.498 0.623 -3.468 482 HB2 ASN 60 2HB ASN 60 -14.466 0.396 -4.475 483 HB3 ASN 60 3HB ASN 60 -14.158 2.113 -4.587 484 HD21 ASN 60 1HD2 ASN 60 -13.587 3.000 -6.729 485 HD22 ASN 60 2HD2 ASN 60 -14.281 2.147 -8.116 486 H ILE 61 HN ILE 61 -12.002 -1.295 -3.416 487 HA ILE 61 HA ILE 61 -10.564 -2.737 -5.504 488 HB ILE 61 HB ILE 61 -8.669 -2.842 -3.885 489 HG12 ILE 61 2HG1 ILE 61 -9.519 -1.826 -1.784 490 HG13 ILE 61 3HG1 ILE 61 -8.046 -1.125 -2.362 491 HG21 ILE 61 1HG2 ILE 61 -7.512 -0.846 -4.656 492 HG22 ILE 61 2HG2 ILE 61 -8.451 -1.635 -5.916 493 HG23 ILE 61 3HG2 ILE 61 -9.046 -0.143 -5.200 494 HD11 ILE 61 3HD1 ILE 61 -9.266 0.700 -1.600 495 HD12 ILE 61 1HD1 ILE 61 -9.520 0.805 -3.313 496 HD13 ILE 61 2HD1 ILE 61 -10.783 0.108 -2.245 497 H GLN 62 HN GLN 62 -11.109 -4.907 -5.114 498 HA GLN 62 HA GLN 62 -10.577 -5.900 -2.435 499 HB2 GLN 62 2HB GLN 62 -13.173 -6.698 -3.822 500 HB3 GLN 62 3HB GLN 62 -12.431 -7.497 -2.420 501 HG2 GLN 62 2HG GLN 62 -12.438 -5.160 -1.315 502 HG3 GLN 62 3HG GLN 62 -13.609 -4.716 -2.572 503 HE21 GLN 62 1HE2 GLN 62 -15.788 -5.914 -2.467 504 HE22 GLN 62 2HE2 GLN 62 -16.246 -6.528 -0.909 505 H LYS 63 HN LYS 63 -8.946 -7.190 -2.789 506 HA LYS 63 HA LYS 63 -7.544 -8.743 -3.527 507 HB2 LYS 63 2HB LYS 63 -9.705 -10.105 -3.994 508 HB3 LYS 63 3HB LYS 63 -9.408 -9.695 -5.694 509 HG2 LYS 63 2HG LYS 63 -6.998 -10.583 -5.265 510 HG3 LYS 63 3HG LYS 63 -7.665 -11.297 -3.793 511 HD2 LYS 63 2HD LYS 63 -8.503 -11.849 -6.670 512 HD3 LYS 63 3HD LYS 63 -7.491 -12.866 -5.655 513 HE2 LYS 63 2HE LYS 63 -9.456 -13.108 -4.067 514 HE3 LYS 63 3HE LYS 63 -10.454 -12.271 -5.284 515 HZ1 LYS 63 3HZ LYS 63 -10.590 -14.662 -5.561 516 HZ2 LYS 63 1HZ LYS 63 -9.853 -13.993 -6.844 517 HZ3 LYS 63 2HZ LYS 63 -8.931 -14.773 -5.724 518 H GLU 64 HN GLU 64 -9.135 -7.060 -6.275 519 HA GLU 64 HA GLU 64 -6.875 -7.146 -8.032 520 HB2 GLU 64 2HB GLU 64 -9.145 -5.149 -7.718 521 HB3 GLU 64 3HB GLU 64 -8.067 -5.216 -9.126 522 HG2 GLU 64 2HG GLU 64 -8.836 -7.526 -9.585 523 HG3 GLU 64 3HG GLU 64 -9.970 -7.426 -8.229 524 H SER 65 HN SER 65 -7.257 -5.489 -5.101 525 HA SER 65 HA SER 65 -6.558 -2.931 -5.398 526 HG SER 65 HG SER 65 -7.843 -4.643 -2.459 527 HB2 SER 65 2HB SER 65 -5.415 -4.141 -2.980 528 HB3 SER 65 3HB SER 65 -6.678 -2.948 -3.131 529 H THR 66 HN THR 66 -4.146 -5.407 -4.417 530 HA THR 66 HA THR 66 -1.849 -5.124 -4.307 531 HB THR 66 HB THR 66 -1.534 -5.875 -6.978 532 HG1 THR 66 HG1 THR 66 -3.641 -5.813 -7.486 533 HG21 THR 66 3HG2 THR 66 -2.402 -7.433 -4.539 534 HG22 THR 66 1HG2 THR 66 -1.802 -8.146 -6.043 535 HG23 THR 66 2HG2 THR 66 -0.735 -7.126 -5.060 536 H LEU 67 HN LEU 67 -2.253 -2.679 -4.080 537 HA LEU 67 HA LEU 67 -1.386 -0.826 -5.916 538 HG LEU 67 HG LEU 67 -1.715 0.065 -1.761 539 HB2 LEU 67 2HB LEU 67 -1.179 0.632 -3.903 540 HB3 LEU 67 3HB LEU 67 -2.698 -0.176 -4.078 541 HD11 LEU 67 1HD1 LEU 67 -2.304 -2.826 -2.275 542 HD12 LEU 67 2HD1 LEU 67 -2.806 -1.761 -0.966 543 HD13 LEU 67 3HD1 LEU 67 -3.542 -1.567 -2.537 544 HD21 LEU 67 3HD2 LEU 67 -0.124 -1.523 -0.914 545 HD22 LEU 67 1HD2 LEU 67 0.060 -2.272 -2.514 546 HD23 LEU 67 2HD2 LEU 67 0.630 -0.616 -2.217 547 H HIS 68 HN HIS 68 0.564 -2.965 -5.648 548 HA HIS 68 HA HIS 68 2.918 -3.299 -5.388 549 HD1 HIS 68 HD1 HIS 68 2.889 0.230 -7.879 550 HD2 HIS 68 HD2 HIS 68 0.153 -2.775 -8.938 551 HE1 HIS 68 HE1 HIS 68 1.252 1.262 -9.616 552 HB2 HIS 68 2HB HIS 68 3.619 -2.541 -7.662 553 HB3 HIS 68 3HB HIS 68 2.197 -3.553 -7.567 554 H LEU 69 HN LEU 69 4.100 -2.488 -3.866 555 HA LEU 69 HA LEU 69 4.476 0.286 -3.336 556 HG LEU 69 HG LEU 69 5.266 -0.994 -0.081 557 HB2 LEU 69 2HB LEU 69 5.041 -2.239 -2.093 558 HB3 LEU 69 3HB LEU 69 6.549 -1.362 -2.178 559 HD11 LEU 69 1HD1 LEU 69 5.544 1.450 -0.058 560 HD12 LEU 69 2HD1 LEU 69 6.902 0.661 -0.860 561 HD13 LEU 69 3HD1 LEU 69 5.656 1.493 -1.812 562 HD21 LEU 69 3HD2 LEU 69 3.248 0.621 -1.713 563 HD22 LEU 69 1HD2 LEU 69 2.937 -1.002 -1.082 564 HD23 LEU 69 2HD2 LEU 69 3.271 0.352 0.010 565 H VAL 70 HN VAL 70 5.505 1.653 -4.532 566 HA VAL 70 HA VAL 70 7.567 0.734 -6.436 567 HB VAL 70 HB VAL 70 6.149 3.427 -6.196 568 HG11 VAL 70 1HG1 VAL 70 8.363 3.473 -7.344 569 HG12 VAL 70 2HG1 VAL 70 7.797 2.221 -8.452 570 HG13 VAL 70 3HG1 VAL 70 7.018 3.818 -8.440 571 HG21 VAL 70 3HG2 VAL 70 4.398 1.993 -6.811 572 HG22 VAL 70 1HG2 VAL 70 4.974 2.633 -8.343 573 HG23 VAL 70 2HG2 VAL 70 5.436 0.989 -7.853 574 H LEU 71 HN LEU 71 9.636 0.828 -5.685 575 HA LEU 71 HA LEU 71 10.711 3.168 -4.409 576 HG LEU 71 HG LEU 71 10.746 -0.398 -3.749 577 HB2 LEU 71 2HB LEU 71 11.535 2.001 -2.409 578 HB3 LEU 71 3HB LEU 71 9.790 2.051 -2.409 579 HD11 LEU 71 1HD1 LEU 71 12.690 -0.309 -2.368 580 HD12 LEU 71 2HD1 LEU 71 11.743 0.145 -0.949 581 HD13 LEU 71 3HD1 LEU 71 11.600 -1.487 -1.631 582 HD21 LEU 71 3HD2 LEU 71 9.224 -1.502 -2.228 583 HD22 LEU 71 1HD2 LEU 71 9.104 -0.038 -1.233 584 HD23 LEU 71 2HD2 LEU 71 8.466 -0.038 -2.885 585 H ARG 72 HN ARG 72 13.166 2.359 -3.766 586 HA ARG 72 HA ARG 72 14.112 0.410 -5.805 587 HE ARG 72 HE ARG 72 17.041 4.915 -2.974 588 HB2 ARG 72 2HB ARG 72 16.249 1.623 -5.888 589 HB3 ARG 72 3HB ARG 72 14.917 2.549 -6.555 590 HG2 ARG 72 2HG ARG 72 15.298 4.260 -5.167 591 HG3 ARG 72 3HG ARG 72 15.245 3.246 -3.730 592 HD2 ARG 72 2HD ARG 72 17.603 2.662 -3.966 593 HD3 ARG 72 3HD ARG 72 17.670 3.491 -5.533 594 HH11 ARG 72 2HH2 ARG 72 19.282 4.566 -5.667 595 HH12 ARG 72 1HH2 ARG 72 19.955 6.147 -5.539 596 HH21 ARG 72 2HH1 ARG 72 17.646 7.060 -2.918 597 HH22 ARG 72 1HH1 ARG 72 18.864 7.694 -3.986 598 H LEU 73 HN LEU 73 15.630 -1.061 -5.063 599 HA LEU 73 HA LEU 73 15.969 -1.542 -2.199 600 HG LEU 73 HG LEU 73 18.928 -2.756 -2.920 601 HB2 LEU 73 2HB LEU 73 16.055 -3.424 -3.723 602 HB3 LEU 73 3HB LEU 73 17.222 -2.609 -4.759 603 HD11 LEU 73 1HD1 LEU 73 16.853 -4.561 -1.598 604 HD12 LEU 73 2HD1 LEU 73 18.507 -4.300 -1.059 605 HD13 LEU 73 3HD1 LEU 73 17.351 -2.969 -0.989 606 HD21 LEU 73 3HD2 LEU 73 19.408 -5.105 -3.280 607 HD22 LEU 73 1HD2 LEU 73 17.735 -5.405 -3.813 608 HD23 LEU 73 2HD2 LEU 73 18.796 -4.351 -4.770 609 H ARG 74 HN ARG 74 17.567 -0.498 -0.901 610 HA ARG 74 HA ARG 74 19.209 1.502 -2.157 611 HE ARG 74 HE ARG 74 21.784 1.425 1.877 612 HB2 ARG 74 2HB ARG 74 18.280 1.501 0.248 613 HB3 ARG 74 3HB ARG 74 19.607 0.394 0.643 614 HG2 ARG 74 2HG ARG 74 21.211 2.147 -0.257 615 HG3 ARG 74 3HG ARG 74 19.816 3.198 -0.537 616 HD2 ARG 74 2HD ARG 74 20.666 3.913 1.519 617 HD3 ARG 74 3HD ARG 74 19.273 2.911 1.957 618 HH11 ARG 74 2HH2 ARG 74 19.818 3.551 3.993 619 HH12 ARG 74 1HH2 ARG 74 20.672 3.066 5.414 620 HH21 ARG 74 2HH1 ARG 74 22.881 0.893 3.718 621 HH22 ARG 74 1HH1 ARG 74 22.382 1.414 5.296 622 H GLY 75 HN GLY 75 21.230 1.293 -2.965 623 HA2 GLY 75 1HA GLY 75 22.734 -1.272 -2.657 624 HA3 GLY 75 2HA GLY 75 22.952 -0.058 -3.930 625 H GLY 76 HN GLY 76 25.193 -0.774 -2.783 626 HA2 GLY 76 1HA GLY 76 27.098 0.344 -1.892 627 HA3 GLY 76 2HA GLY 76 26.037 1.389 -0.914 Start of MODEL 9 1 HA MET 1 HA MET 1 -11.086 -7.418 4.233 2 H1 MET 1 HN MET 1 -11.494 -5.641 5.796 3 HB2 MET 1 2HB MET 1 -12.100 -5.717 3.055 4 HB3 MET 1 3HB MET 1 -10.786 -4.579 3.300 5 HG2 MET 1 2HG MET 1 -9.376 -5.857 1.694 6 HG3 MET 1 3HG MET 1 -10.733 -6.964 1.463 7 HE1 MET 1 3HE MET 1 -9.004 -3.649 0.539 8 HE2 MET 1 1HE MET 1 -10.316 -2.645 -0.119 9 HE3 MET 1 2HE MET 1 -10.253 -2.996 1.625 10 H GLN 2 HN GLN 2 -9.533 -8.953 3.680 11 HA GLN 2 HA GLN 2 -6.743 -8.143 3.740 12 HB2 GLN 2 2HB GLN 2 -6.230 -10.387 2.860 13 HB3 GLN 2 3HB GLN 2 -7.029 -10.348 4.434 14 HG2 GLN 2 2HG GLN 2 -9.182 -10.961 3.382 15 HG3 GLN 2 3HG GLN 2 -8.421 -10.912 1.789 16 HE21 GLN 2 1HE2 GLN 2 -9.569 -13.195 1.926 17 HE22 GLN 2 2HE2 GLN 2 -8.540 -14.480 2.477 18 H ILE 3 HN ILE 3 -5.408 -7.705 2.105 19 HA ILE 3 HA ILE 3 -6.129 -8.300 -0.681 20 HB ILE 3 HB ILE 3 -5.178 -6.148 -1.450 21 HG12 ILE 3 2HG1 ILE 3 -5.410 -4.217 0.349 22 HG13 ILE 3 3HG1 ILE 3 -5.010 -5.482 1.504 23 HG21 ILE 3 1HG2 ILE 3 -7.173 -4.853 -1.053 24 HG22 ILE 3 2HG2 ILE 3 -7.610 -6.551 -1.200 25 HG23 ILE 3 3HG2 ILE 3 -7.544 -5.770 0.399 26 HD11 ILE 3 3HD1 ILE 3 -3.376 -4.716 -0.936 27 HD12 ILE 3 1HD1 ILE 3 -3.053 -4.167 0.718 28 HD13 ILE 3 2HD1 ILE 3 -2.890 -5.881 0.315 29 H PHE 4 HN PHE 4 -3.831 -7.661 -1.932 30 HA PHE 4 HA PHE 4 -1.722 -9.233 -0.518 31 HD1 PHE 4 HD2 PHE 4 -2.800 -11.191 -0.550 32 HD2 PHE 4 HD1 PHE 4 -3.326 -10.490 -4.797 33 HE1 PHE 4 HE2 PHE 4 -4.211 -13.210 -0.709 34 HE2 PHE 4 HE1 PHE 4 -4.796 -12.483 -4.910 35 HZ PHE 4 HZ PHE 4 -5.170 -13.889 -2.900 36 HB2 PHE 4 2HB PHE 4 -2.337 -8.861 -3.470 37 HB3 PHE 4 3HB PHE 4 -1.021 -9.825 -2.841 38 H VAL 5 HN VAL 5 0.476 -8.686 -1.389 39 HA VAL 5 HA VAL 5 0.791 -5.994 -2.551 40 HB VAL 5 HB VAL 5 1.654 -6.998 0.185 41 HG11 VAL 5 1HG1 VAL 5 3.002 -4.845 0.329 42 HG12 VAL 5 2HG1 VAL 5 3.703 -6.103 -0.681 43 HG13 VAL 5 3HG1 VAL 5 2.847 -4.736 -1.432 44 HG21 VAL 5 3HG2 VAL 5 0.818 -4.723 0.867 45 HG22 VAL 5 1HG2 VAL 5 0.234 -4.501 -0.791 46 HG23 VAL 5 2HG2 VAL 5 -0.423 -5.776 0.275 47 H LYS 6 HN LYS 6 3.041 -5.693 -3.313 48 HA LYS 6 HA LYS 6 4.590 -8.150 -3.997 49 HB2 LYS 6 2HB LYS 6 3.126 -6.204 -5.802 50 HB3 LYS 6 3HB LYS 6 4.680 -6.789 -6.332 51 HG2 LYS 6 2HG LYS 6 2.510 -8.775 -5.530 52 HG3 LYS 6 3HG LYS 6 2.519 -7.989 -7.109 53 HD2 LYS 6 2HD LYS 6 4.993 -8.765 -7.346 54 HD3 LYS 6 3HD LYS 6 4.675 -9.800 -5.965 55 HE2 LYS 6 2HE LYS 6 4.203 -11.245 -7.714 56 HE3 LYS 6 3HE LYS 6 2.593 -10.596 -7.373 57 HZ1 LYS 6 3HZ LYS 6 4.374 -10.034 -9.642 58 HZ2 LYS 6 1HZ LYS 6 2.791 -10.385 -9.667 59 HZ3 LYS 6 2HZ LYS 6 3.264 -8.893 -9.203 60 H THR 7 HN THR 7 6.602 -7.587 -3.072 61 HA THR 7 HA THR 7 7.615 -4.817 -3.445 62 HB THR 7 HB THR 7 6.377 -5.107 -1.275 63 HG1 THR 7 HG1 THR 7 7.933 -4.223 0.027 64 HG21 THR 7 3HG2 THR 7 6.646 -7.229 -0.489 65 HG22 THR 7 1HG2 THR 7 8.420 -7.244 -0.704 66 HG23 THR 7 2HG2 THR 7 7.692 -6.284 0.565 67 H LEU 8 HN LEU 8 8.401 -7.094 -4.990 68 HA LEU 8 HA LEU 8 9.938 -8.643 -5.470 69 HG LEU 8 HG LEU 8 12.953 -6.688 -6.295 70 HB2 LEU 8 2HB LEU 8 11.805 -6.657 -4.146 71 HB3 LEU 8 3HB LEU 8 12.358 -8.234 -4.626 72 HD11 LEU 8 1HD1 LEU 8 12.192 -7.758 -8.264 73 HD12 LEU 8 2HD1 LEU 8 12.163 -8.995 -7.007 74 HD13 LEU 8 3HD1 LEU 8 10.645 -8.239 -7.521 75 HD21 LEU 8 3HD2 LEU 8 10.029 -5.963 -6.669 76 HD22 LEU 8 1HD2 LEU 8 11.261 -4.950 -5.913 77 HD23 LEU 8 2HD2 LEU 8 11.395 -5.366 -7.630 78 H THR 9 HN THR 9 11.337 -8.003 -2.185 79 HA THR 9 HA THR 9 11.097 -10.830 -1.542 80 HB THR 9 HB THR 9 11.972 -8.512 0.239 81 HG1 THR 9 HG1 THR 9 13.954 -8.818 -0.519 82 HG21 THR 9 3HG2 THR 9 11.631 -10.592 1.497 83 HG22 THR 9 1HG2 THR 9 12.533 -11.525 0.291 84 HG23 THR 9 2HG2 THR 9 13.363 -10.324 1.307 85 H GLY 10 HN GLY 10 8.669 -10.419 -2.101 86 HA2 GLY 10 1HA GLY 10 7.096 -9.904 0.405 87 HA3 GLY 10 2HA GLY 10 6.647 -9.220 -1.171 88 H LYS 11 HN LYS 11 6.660 -12.123 0.793 89 HA LYS 11 HA LYS 11 5.649 -13.743 -1.436 90 HB2 LYS 11 2HB LYS 11 7.025 -14.651 0.532 91 HB3 LYS 11 3HB LYS 11 5.629 -14.359 1.547 92 HG2 LYS 11 2HG LYS 11 5.489 -16.654 0.939 93 HG3 LYS 11 3HG LYS 11 4.311 -15.871 -0.112 94 HD2 LYS 11 2HD LYS 11 6.214 -15.705 -1.856 95 HD3 LYS 11 3HD LYS 11 7.125 -16.791 -0.829 96 HE2 LYS 11 2HE LYS 11 4.323 -17.359 -1.893 97 HE3 LYS 11 3HE LYS 11 5.786 -17.779 -2.787 98 HZ1 LYS 11 3HZ LYS 11 5.418 -18.770 -0.056 99 HZ2 LYS 11 1HZ LYS 11 4.740 -19.559 -1.347 100 HZ3 LYS 11 2HZ LYS 11 6.388 -19.326 -1.234 101 H THR 12 HN THR 12 4.098 -11.811 -1.786 102 HA THR 12 HA THR 12 2.029 -11.009 -1.928 103 HB THR 12 HB THR 12 1.373 -13.708 -0.749 104 HG1 THR 12 HG1 THR 12 1.324 -12.660 -3.378 105 HG21 THR 12 3HG2 THR 12 -0.617 -12.327 -0.477 106 HG22 THR 12 1HG2 THR 12 -0.480 -11.813 -2.177 107 HG23 THR 12 2HG2 THR 12 -0.830 -13.504 -1.776 108 H ILE 13 HN ILE 13 2.670 -12.129 1.340 109 HA ILE 13 HA ILE 13 1.872 -11.598 3.316 110 HB ILE 13 HB ILE 13 2.627 -9.412 4.059 111 HG12 ILE 13 2HG1 ILE 13 4.087 -8.564 1.671 112 HG13 ILE 13 3HG1 ILE 13 2.380 -8.625 1.311 113 HG21 ILE 13 1HG2 ILE 13 4.638 -10.824 2.253 114 HG22 ILE 13 2HG2 ILE 13 4.985 -9.840 3.687 115 HG23 ILE 13 3HG2 ILE 13 4.144 -11.385 3.857 116 HD11 ILE 13 3HD1 ILE 13 2.898 -6.423 2.122 117 HD12 ILE 13 1HD1 ILE 13 1.914 -7.235 3.348 118 HD13 ILE 13 2HD1 ILE 13 3.678 -7.078 3.562 119 H THR 14 HN THR 14 -0.191 -12.082 3.311 120 HA THR 14 HA THR 14 -2.415 -10.620 2.550 121 HB THR 14 HB THR 14 -2.012 -12.330 5.039 122 HG1 THR 14 HG1 THR 14 -1.591 -13.326 2.969 123 HG21 THR 14 3HG2 THR 14 -4.554 -11.576 3.541 124 HG22 THR 14 1HG2 THR 14 -4.448 -12.734 4.886 125 HG23 THR 14 2HG2 THR 14 -4.128 -11.024 5.179 126 H LEU 15 HN LEU 15 -3.047 -8.670 2.946 127 HA LEU 15 HA LEU 15 -1.989 -7.177 5.262 128 HG LEU 15 HG LEU 15 -0.728 -4.734 2.706 129 HB2 LEU 15 2HB LEU 15 -1.202 -6.949 2.775 130 HB3 LEU 15 3HB LEU 15 -2.743 -6.227 2.459 131 HD11 LEU 15 1HD1 LEU 15 -1.950 -2.968 3.584 132 HD12 LEU 15 2HD1 LEU 15 -3.165 -4.064 2.975 133 HD13 LEU 15 3HD1 LEU 15 -2.870 -4.022 4.721 134 HD21 LEU 15 3HD2 LEU 15 0.070 -4.240 5.000 135 HD22 LEU 15 1HD2 LEU 15 -1.005 -5.405 5.680 136 HD23 LEU 15 2HD2 LEU 15 0.312 -5.955 4.612 137 H GLU 16 HN GLU 16 -3.626 -6.823 6.645 138 HA GLU 16 HA GLU 16 -6.413 -6.844 5.665 139 HB2 GLU 16 2HB GLU 16 -5.007 -7.642 8.138 140 HB3 GLU 16 3HB GLU 16 -6.522 -6.806 8.420 141 HG2 GLU 16 2HG GLU 16 -6.121 -9.280 6.694 142 HG3 GLU 16 3HG GLU 16 -6.794 -9.243 8.326 143 H VAL 17 HN VAL 17 -7.288 -5.031 5.207 144 HA VAL 17 HA VAL 17 -6.734 -2.490 6.559 145 HB VAL 17 HB VAL 17 -4.927 -2.773 4.975 146 HG11 VAL 17 1HG1 VAL 17 -5.536 -4.527 3.590 147 HG12 VAL 17 2HG1 VAL 17 -6.857 -3.606 2.874 148 HG13 VAL 17 3HG1 VAL 17 -5.179 -3.123 2.581 149 HG21 VAL 17 3HG2 VAL 17 -7.083 -0.995 3.770 150 HG22 VAL 17 1HG2 VAL 17 -5.859 -0.551 4.936 151 HG23 VAL 17 2HG2 VAL 17 -5.381 -0.988 3.292 152 H GLU 18 HN GLU 18 -8.368 -0.838 5.791 153 HA GLU 18 HA GLU 18 -10.826 -2.280 4.999 154 HB2 GLU 18 2HB GLU 18 -10.335 0.518 6.113 155 HB3 GLU 18 3HB GLU 18 -11.928 -0.104 5.678 156 HG2 GLU 18 2HG GLU 18 -10.051 -1.252 7.793 157 HG3 GLU 18 3HG GLU 18 -11.604 -0.450 8.055 158 HA PRO 19 HA PRO 19 -11.144 -0.016 1.096 159 HB2 PRO 19 2HB PRO 19 -13.739 -0.389 0.499 160 HB3 PRO 19 3HB PRO 19 -12.554 -1.725 0.466 161 HG2 PRO 19 2HG PRO 19 -14.468 -0.993 2.698 162 HG3 PRO 19 3HG PRO 19 -14.184 -2.604 1.954 163 HD2 PRO 19 2HD PRO 19 -13.009 -1.694 4.285 164 HD3 PRO 19 3HD PRO 19 -12.223 -2.862 3.176 165 H SER 20 HN SER 20 -11.789 1.137 4.057 166 HA SER 20 HA SER 20 -12.472 3.752 2.861 167 HG SER 20 HG SER 20 -13.664 5.049 5.372 168 HB2 SER 20 2HB SER 20 -14.453 2.718 4.035 169 HB3 SER 20 3HB SER 20 -13.556 2.889 5.555 170 H ASP 21 HN ASP 21 -10.094 2.072 3.916 171 HA ASP 21 HA ASP 21 -8.728 3.423 5.982 172 HB2 ASP 21 2HB ASP 21 -8.499 1.117 4.639 173 HB3 ASP 21 3HB ASP 21 -7.306 2.065 3.726 174 H THR 22 HN THR 22 -6.226 4.094 4.895 175 HA THR 22 HA THR 22 -6.630 6.163 2.816 176 HB THR 22 HB THR 22 -5.221 7.749 4.356 177 HG1 THR 22 HG1 THR 22 -5.978 5.804 6.065 178 HG21 THR 22 3HG2 THR 22 -7.454 8.315 3.549 179 HG22 THR 22 1HG2 THR 22 -8.192 7.392 4.867 180 HG23 THR 22 2HG2 THR 22 -7.220 8.838 5.221 181 H ILE 23 HN ILE 23 -4.603 6.631 1.725 182 HA ILE 23 HA ILE 23 -3.015 4.405 1.305 183 HB ILE 23 HB ILE 23 -2.660 7.310 0.851 184 HG12 ILE 23 2HG1 ILE 23 -3.457 7.144 -1.224 185 HG13 ILE 23 3HG1 ILE 23 -3.226 5.386 -1.338 186 HG21 ILE 23 1HG2 ILE 23 -0.730 5.571 -0.535 187 HG22 ILE 23 2HG2 ILE 23 -0.831 7.307 -0.471 188 HG23 ILE 23 3HG2 ILE 23 -0.363 6.474 0.978 189 HD11 ILE 23 3HD1 ILE 23 -5.508 5.991 -1.480 190 HD12 ILE 23 1HD1 ILE 23 -5.241 5.065 -0.005 191 HD13 ILE 23 2HD1 ILE 23 -5.454 6.842 0.066 192 H GLU 24 HN GLU 24 -2.343 7.274 3.494 193 HA GLU 24 HA GLU 24 0.255 6.376 4.203 194 HB2 GLU 24 2HB GLU 24 -0.687 8.660 4.496 195 HB3 GLU 24 3HB GLU 24 -1.677 8.045 5.841 196 HG2 GLU 24 2HG GLU 24 0.376 7.477 7.089 197 HG3 GLU 24 3HG GLU 24 1.367 7.942 5.697 198 H ASN 25 HN ASN 25 -2.946 5.614 5.665 199 HA ASN 25 HA ASN 25 -1.805 4.101 7.905 200 HB2 ASN 25 2HB ASN 25 -4.558 4.419 6.708 201 HB3 ASN 25 3HB ASN 25 -4.210 2.975 7.646 202 HD21 ASN 25 1HD2 ASN 25 -3.036 6.366 8.328 203 HD22 ASN 25 2HD2 ASN 25 -3.916 6.418 9.839 204 H VAL 26 HN VAL 26 -3.087 3.295 4.646 205 HA VAL 26 HA VAL 26 -2.701 0.498 4.777 206 HB VAL 26 HB VAL 26 -2.520 2.351 2.383 207 HG11 VAL 26 1HG1 VAL 26 -1.453 0.167 1.904 208 HG12 VAL 26 2HG1 VAL 26 -2.896 -0.672 2.507 209 HG13 VAL 26 3HG1 VAL 26 -2.961 0.335 1.040 210 HG21 VAL 26 3HG2 VAL 26 -4.722 2.618 2.946 211 HG22 VAL 26 1HG2 VAL 26 -4.907 1.073 2.139 212 HG23 VAL 26 2HG2 VAL 26 -4.772 1.148 3.904 213 H LYS 27 HN LYS 27 -0.447 3.142 3.907 214 HA LYS 27 HA LYS 27 1.719 1.410 3.300 215 HB2 LYS 27 2HB LYS 27 2.719 3.219 2.691 216 HB3 LYS 27 3HB LYS 27 1.327 4.185 3.199 217 HG2 LYS 27 2HG LYS 27 2.463 4.429 5.458 218 HG3 LYS 27 3HG LYS 27 3.870 3.614 4.761 219 HD2 LYS 27 2HD LYS 27 2.639 6.234 3.814 220 HD3 LYS 27 3HD LYS 27 4.132 6.015 4.734 221 HE2 LYS 27 2HE LYS 27 4.563 4.357 2.545 222 HE3 LYS 27 3HE LYS 27 3.616 5.686 1.838 223 HZ1 LYS 27 3HZ LYS 27 6.214 5.820 3.233 224 HZ2 LYS 27 1HZ LYS 27 5.861 6.276 1.720 225 HZ3 LYS 27 2HZ LYS 27 5.285 7.181 2.987 226 H ALA 28 HN ALA 28 0.443 2.627 6.387 227 HA ALA 28 HA ALA 28 2.774 1.823 7.855 228 HB1 ALA 28 1HB ALA 28 -0.059 2.222 8.870 229 HB2 ALA 28 2HB ALA 28 1.437 2.227 9.807 230 HB3 ALA 28 3HB ALA 28 1.139 3.513 8.625 231 H LYS 29 HN LYS 29 -0.401 0.150 7.339 232 HA LYS 29 HA LYS 29 0.276 -2.112 8.906 233 HB2 LYS 29 2HB LYS 29 -1.375 -3.412 7.338 234 HB3 LYS 29 3HB LYS 29 -1.897 -2.167 8.448 235 HG2 LYS 29 2HG LYS 29 -1.618 -0.594 6.291 236 HG3 LYS 29 3HG LYS 29 -1.788 -2.108 5.463 237 HD2 LYS 29 2HD LYS 29 -3.916 -1.108 5.679 238 HD3 LYS 29 3HD LYS 29 -3.921 -2.397 6.938 239 HE2 LYS 29 2HE LYS 29 -3.101 -0.528 8.524 240 HE3 LYS 29 3HE LYS 29 -3.413 0.609 7.220 241 HZ1 LYS 29 3HZ LYS 29 -5.168 0.453 8.873 242 HZ2 LYS 29 1HZ LYS 29 -5.710 0.212 7.367 243 HZ3 LYS 29 2HZ LYS 29 -5.512 -1.072 8.398 244 H ILE 30 HN ILE 30 1.379 -1.441 5.658 245 HA ILE 30 HA ILE 30 2.596 -4.106 5.370 246 HB ILE 30 HB ILE 30 3.717 -3.006 3.374 247 HG12 ILE 30 2HG1 ILE 30 1.853 -0.744 4.128 248 HG13 ILE 30 3HG1 ILE 30 3.574 -0.709 3.883 249 HG21 ILE 30 1HG2 ILE 30 0.706 -2.911 3.381 250 HG22 ILE 30 2HG2 ILE 30 1.799 -3.236 2.032 251 HG23 ILE 30 3HG2 ILE 30 1.701 -4.417 3.313 252 HD11 ILE 30 3HD1 ILE 30 1.399 -0.779 1.827 253 HD12 ILE 30 1HD1 ILE 30 2.824 0.289 1.950 254 HD13 ILE 30 2HD1 ILE 30 3.025 -1.386 1.469 255 H GLN 31 HN GLN 31 3.553 -0.960 6.680 256 HA GLN 31 HA GLN 31 6.329 -1.303 6.599 257 HB2 GLN 31 2HB GLN 31 6.305 0.618 7.699 258 HB3 GLN 31 3HB GLN 31 4.636 0.626 7.345 259 HG2 GLN 31 2HG GLN 31 4.783 1.365 9.528 260 HG3 GLN 31 3HG GLN 31 4.212 -0.265 9.737 261 HE21 GLN 31 1HE2 GLN 31 5.690 -1.913 10.553 262 HE22 GLN 31 2HE2 GLN 31 6.909 -1.439 11.693 263 H ASP 32 HN ASP 32 3.871 -2.360 8.858 264 HA ASP 32 HA ASP 32 5.461 -3.936 10.638 265 HB2 ASP 32 2HB ASP 32 2.543 -3.702 9.956 266 HB3 ASP 32 3HB ASP 32 3.068 -5.183 10.756 267 H LYS 33 HN LYS 33 3.507 -5.059 7.780 268 HA LYS 33 HA LYS 33 4.383 -7.782 8.259 269 HB2 LYS 33 2HB LYS 33 2.782 -6.422 6.077 270 HB3 LYS 33 3HB LYS 33 3.578 -7.941 5.680 271 HG2 LYS 33 2HG LYS 33 1.428 -8.551 6.377 272 HG3 LYS 33 3HG LYS 33 2.542 -9.031 7.665 273 HD2 LYS 33 2HD LYS 33 1.901 -6.869 8.882 274 HD3 LYS 33 3HD LYS 33 0.708 -6.601 7.599 275 HE2 LYS 33 2HE LYS 33 -0.705 -7.795 8.880 276 HE3 LYS 33 3HE LYS 33 0.151 -9.217 8.276 277 HZ1 LYS 33 3HZ LYS 33 -0.033 -9.182 10.703 278 HZ2 LYS 33 1HZ LYS 33 1.552 -9.100 10.315 279 HZ3 LYS 33 2HZ LYS 33 0.717 -7.747 10.787 280 H GLU 34 HN GLU 34 5.718 -5.228 6.228 281 HA GLU 34 HA GLU 34 7.489 -7.113 4.866 282 HB2 GLU 34 2HB GLU 34 6.481 -5.151 3.755 283 HB3 GLU 34 3HB GLU 34 7.339 -4.081 4.843 284 HG2 GLU 34 2HG GLU 34 9.518 -4.914 3.962 285 HG3 GLU 34 3HG GLU 34 8.658 -6.031 2.904 286 H GLY 35 HN GLY 35 7.580 -4.826 7.624 287 HA2 GLY 35 1HA GLY 35 9.019 -4.838 9.415 288 HA3 GLY 35 2HA GLY 35 10.134 -5.926 8.564 289 H ILE 36 HN ILE 36 8.745 -2.605 8.402 290 HA ILE 36 HA ILE 36 11.278 -1.334 7.834 291 HB ILE 36 HB ILE 36 11.051 -1.558 5.636 292 HG12 ILE 36 2HG1 ILE 36 8.810 0.490 5.656 293 HG13 ILE 36 3HG1 ILE 36 10.514 0.890 5.964 294 HG21 ILE 36 1HG2 ILE 36 8.998 -2.081 4.325 295 HG22 ILE 36 2HG2 ILE 36 9.396 -3.239 5.558 296 HG23 ILE 36 3HG2 ILE 36 8.088 -2.066 5.843 297 HD11 ILE 36 3HD1 ILE 36 9.343 -0.196 3.388 298 HD12 ILE 36 1HD1 ILE 36 10.193 1.315 3.672 299 HD13 ILE 36 2HD1 ILE 36 11.077 -0.222 3.743 300 HA PRO 37 HA PRO 37 8.752 1.586 10.120 301 HB2 PRO 37 2HB PRO 37 10.232 3.881 9.934 302 HB3 PRO 37 3HB PRO 37 10.771 2.458 10.879 303 HG2 PRO 37 2HG PRO 37 11.480 3.179 8.013 304 HG3 PRO 37 3HG PRO 37 12.613 2.817 9.359 305 HD2 PRO 37 2HD PRO 37 11.908 0.899 7.607 306 HD3 PRO 37 3HD PRO 37 12.036 0.519 9.348 307 HA PRO 38 HA PRO 38 6.572 4.196 7.025 308 HB2 PRO 38 2HB PRO 38 5.801 6.389 8.448 309 HB3 PRO 38 3HB PRO 38 5.066 4.781 8.747 310 HG2 PRO 38 2HG PRO 38 7.360 6.103 10.247 311 HG3 PRO 38 3HG PRO 38 5.865 5.385 10.933 312 HD2 PRO 38 2HD PRO 38 8.181 3.985 10.769 313 HD3 PRO 38 3HD PRO 38 6.588 3.211 10.490 314 H ASP 39 HN ASP 39 6.724 6.624 6.356 315 HA ASP 39 HA ASP 39 7.865 8.504 5.692 316 HB2 ASP 39 2HB ASP 39 9.383 8.358 7.726 317 HB3 ASP 39 3HB ASP 39 10.514 7.423 6.763 318 H GLN 40 HN GLN 40 9.796 5.651 5.694 319 HA GLN 40 HA GLN 40 10.541 5.571 2.881 320 HB2 GLN 40 2HB GLN 40 10.534 3.557 5.187 321 HB3 GLN 40 3HB GLN 40 11.271 3.280 3.606 322 HG2 GLN 40 2HG GLN 40 12.964 4.900 3.945 323 HG3 GLN 40 3HG GLN 40 12.139 5.625 5.323 324 HE21 GLN 40 1HE2 GLN 40 13.593 5.356 6.931 325 HE22 GLN 40 2HE2 GLN 40 14.179 3.811 7.516 326 H GLN 41 HN GLN 41 9.882 3.288 1.934 327 HA GLN 41 HA GLN 41 8.409 1.850 1.110 328 HB2 GLN 41 2HB GLN 41 7.869 1.688 3.701 329 HB3 GLN 41 3HB GLN 41 6.353 2.453 3.256 330 HG2 GLN 41 2HG GLN 41 5.748 0.711 1.844 331 HG3 GLN 41 3HG GLN 41 7.392 0.002 1.797 332 HE21 GLN 41 1HE2 GLN 41 6.731 -2.186 2.559 333 HE22 GLN 41 2HE2 GLN 41 6.139 -2.315 4.204 334 H ARG 42 HN ARG 42 6.382 1.734 -0.206 335 HA ARG 42 HA ARG 42 5.272 4.391 -0.907 336 HE ARG 42 HE ARG 42 9.109 7.539 -3.402 337 HB2 ARG 42 2HB ARG 42 7.838 3.482 -1.755 338 HB3 ARG 42 3HB ARG 42 6.800 3.374 -3.170 339 HG2 ARG 42 2HG ARG 42 6.184 5.756 -2.828 340 HG3 ARG 42 3HG ARG 42 7.238 5.834 -1.411 341 HD2 ARG 42 2HD ARG 42 9.218 5.386 -2.663 342 HD3 ARG 42 3HD ARG 42 8.315 4.871 -4.090 343 HH11 ARG 42 2HH2 ARG 42 6.329 5.825 -4.825 344 HH12 ARG 42 1HH2 ARG 42 5.844 7.170 -5.784 345 HH21 ARG 42 2HH1 ARG 42 8.600 9.218 -4.858 346 HH22 ARG 42 1HH1 ARG 42 7.171 9.148 -5.842 347 H LEU 43 HN LEU 43 3.241 3.532 -0.810 348 HA LEU 43 HA LEU 43 2.527 1.045 -2.130 349 HG LEU 43 HG LEU 43 0.113 3.798 -1.364 350 HB2 LEU 43 2HB LEU 43 0.387 1.396 -1.245 351 HB3 LEU 43 3HB LEU 43 1.567 1.587 0.035 352 HD11 LEU 43 1HD1 LEU 43 -0.360 2.396 1.265 353 HD12 LEU 43 2HD1 LEU 43 -1.319 3.681 0.547 354 HD13 LEU 43 3HD1 LEU 43 -1.307 2.130 -0.222 355 HD21 LEU 43 3HD2 LEU 43 2.261 3.720 0.712 356 HD22 LEU 43 1HD2 LEU 43 1.829 5.027 -0.405 357 HD23 LEU 43 2HD2 LEU 43 0.918 4.774 1.092 358 H ILE 44 HN ILE 44 0.934 0.848 -3.903 359 HA ILE 44 HA ILE 44 -0.052 3.073 -5.418 360 HB ILE 44 HB ILE 44 2.463 2.999 -5.891 361 HG12 ILE 44 2HG1 ILE 44 0.991 4.339 -7.267 362 HG13 ILE 44 3HG1 ILE 44 2.372 3.660 -8.111 363 HG21 ILE 44 1HG2 ILE 44 3.274 1.442 -7.546 364 HG22 ILE 44 2HG2 ILE 44 2.753 0.634 -6.073 365 HG23 ILE 44 3HG2 ILE 44 1.733 0.567 -7.513 366 HD11 ILE 44 3HD1 ILE 44 -0.499 2.891 -8.412 367 HD12 ILE 44 1HD1 ILE 44 0.601 3.527 -9.623 368 HD13 ILE 44 2HD1 ILE 44 0.841 1.884 -9.057 369 H PHE 45 HN PHE 45 -1.854 2.580 -6.503 370 HA PHE 45 HA PHE 45 -2.755 -0.209 -6.534 371 HD1 PHE 45 HD1 PHE 45 -4.695 -0.649 -5.260 372 HD2 PHE 45 HD2 PHE 45 -4.654 3.662 -5.366 373 HE1 PHE 45 HE1 PHE 45 -4.963 -0.622 -2.813 374 HE2 PHE 45 HE2 PHE 45 -5.238 3.702 -2.959 375 HZ PHE 45 HZ PHE 45 -5.381 1.546 -1.687 376 HB2 PHE 45 2HB PHE 45 -4.095 2.412 -7.353 377 HB3 PHE 45 3HB PHE 45 -4.877 0.836 -7.443 378 H ALA 46 HN ALA 46 -4.207 -0.534 -8.711 379 HA ALA 46 HA ALA 46 -2.776 -1.778 -10.505 380 HB1 ALA 46 1HB ALA 46 -5.255 -1.747 -10.253 381 HB2 ALA 46 2HB ALA 46 -5.317 -0.174 -11.079 382 HB3 ALA 46 3HB ALA 46 -4.779 -1.629 -11.936 383 H GLY 47 HN GLY 47 -2.751 1.659 -10.621 384 HA2 GLY 47 1HA GLY 47 -1.219 2.281 -12.810 385 HA3 GLY 47 2HA GLY 47 -2.799 1.882 -13.526 386 H LYS 48 HN LYS 48 -2.025 3.554 -10.423 387 HA LYS 48 HA LYS 48 -3.436 5.952 -11.384 388 HB2 LYS 48 2HB LYS 48 -5.078 4.164 -10.415 389 HB3 LYS 48 3HB LYS 48 -4.321 4.485 -8.865 390 HG2 LYS 48 2HG LYS 48 -5.053 7.023 -10.068 391 HG3 LYS 48 3HG LYS 48 -6.377 5.931 -10.337 392 HD2 LYS 48 2HD LYS 48 -7.132 6.404 -8.307 393 HD3 LYS 48 3HD LYS 48 -5.781 5.519 -7.610 394 HE2 LYS 48 2HE LYS 48 -5.678 7.664 -6.588 395 HE3 LYS 48 3HE LYS 48 -4.432 7.677 -7.834 396 HZ1 LYS 48 3HZ LYS 48 -6.231 8.754 -9.280 397 HZ2 LYS 48 1HZ LYS 48 -7.001 9.072 -7.885 398 HZ3 LYS 48 2HZ LYS 48 -5.512 9.676 -8.093 399 H GLN 49 HN GLN 49 -3.127 7.698 -9.733 400 HA GLN 49 HA GLN 49 -0.748 7.543 -8.069 401 HB2 GLN 49 2HB GLN 49 -3.088 9.420 -8.436 402 HB3 GLN 49 3HB GLN 49 -2.144 9.550 -6.965 403 HG2 GLN 49 2HG GLN 49 -0.065 9.695 -8.539 404 HG3 GLN 49 3HG GLN 49 -1.242 10.017 -9.814 405 HE21 GLN 49 1HE2 GLN 49 -0.613 11.020 -6.397 406 HE22 GLN 49 2HE2 GLN 49 -1.505 12.483 -6.608 407 H LEU 50 HN LEU 50 -1.444 8.256 -5.589 408 HA LEU 50 HA LEU 50 -3.269 6.136 -4.494 409 HG LEU 50 HG LEU 50 0.017 5.272 -2.723 410 HB2 LEU 50 2HB LEU 50 -0.745 7.404 -3.367 411 HB3 LEU 50 3HB LEU 50 -1.849 6.675 -2.358 412 HD11 LEU 50 1HD1 LEU 50 -2.550 4.181 -4.049 413 HD12 LEU 50 2HD1 LEU 50 -1.193 3.177 -3.555 414 HD13 LEU 50 3HD1 LEU 50 -2.100 3.994 -2.336 415 HD21 LEU 50 3HD2 LEU 50 0.249 6.416 -4.975 416 HD22 LEU 50 1HD2 LEU 50 0.713 4.825 -4.925 417 HD23 LEU 50 2HD2 LEU 50 -0.861 5.147 -5.580 418 H GLU 51 HN GLU 51 -1.778 9.317 -4.112 419 HA GLU 51 HA GLU 51 -2.390 11.252 -3.340 420 HB2 GLU 51 2HB GLU 51 -4.390 10.695 -4.991 421 HB3 GLU 51 3HB GLU 51 -5.322 10.689 -3.525 422 HG2 GLU 51 2HG GLU 51 -5.422 12.898 -4.468 423 HG3 GLU 51 3HG GLU 51 -4.454 12.984 -2.985 424 H ASP 52 HN ASP 52 -1.508 11.015 -1.380 425 HA ASP 52 HA ASP 52 -2.375 9.496 0.791 426 HB2 ASP 52 2HB ASP 52 -0.893 12.162 0.719 427 HB3 ASP 52 3HB ASP 52 -1.080 11.153 2.153 428 H GLY 53 HN GLY 53 -3.731 12.440 -0.445 429 HA2 GLY 53 1HA GLY 53 -5.233 13.047 2.054 430 HA3 GLY 53 2HA GLY 53 -5.057 14.104 0.655 431 H ARG 54 HN ARG 54 -5.920 10.665 0.107 432 HA ARG 54 HA ARG 54 -8.779 11.441 -0.285 433 HE ARG 54 HE ARG 54 -10.145 9.999 -4.585 434 HB2 ARG 54 2HB ARG 54 -6.790 10.189 -2.148 435 HB3 ARG 54 3HB ARG 54 -8.412 9.573 -2.219 436 HG2 ARG 54 2HG ARG 54 -8.074 12.570 -2.266 437 HG3 ARG 54 3HG ARG 54 -7.692 11.673 -3.726 438 HD2 ARG 54 2HD ARG 54 -10.210 10.788 -2.407 439 HD3 ARG 54 3HD ARG 54 -10.242 12.456 -2.957 440 HH11 ARG 54 2HH2 ARG 54 -9.744 13.536 -4.682 441 HH12 ARG 54 1HH2 ARG 54 -10.072 13.632 -6.380 442 HH21 ARG 54 2HH1 ARG 54 -10.576 10.139 -6.709 443 HH22 ARG 54 1HH1 ARG 54 -10.439 11.636 -7.618 444 H THR 55 HN THR 55 -10.226 9.518 -0.453 445 HA THR 55 HA THR 55 -9.665 7.822 1.839 446 HB THR 55 HB THR 55 -12.179 7.689 0.163 447 HG1 THR 55 HG1 THR 55 -12.219 9.707 2.013 448 HG21 THR 55 3HG2 THR 55 -11.993 6.372 2.291 449 HG22 THR 55 1HG2 THR 55 -11.725 7.874 3.179 450 HG23 THR 55 2HG2 THR 55 -13.277 7.590 2.368 451 H LEU 56 HN LEU 56 -9.599 5.526 1.778 452 HA LEU 56 HA LEU 56 -9.213 4.076 -0.647 453 HG LEU 56 HG LEU 56 -8.236 1.697 1.925 454 HB2 LEU 56 2HB LEU 56 -9.739 3.504 2.167 455 HB3 LEU 56 3HB LEU 56 -10.476 2.332 1.136 456 HD11 LEU 56 1HD1 LEU 56 -8.787 1.921 -1.027 457 HD12 LEU 56 2HD1 LEU 56 -7.573 0.878 -0.294 458 HD13 LEU 56 3HD1 LEU 56 -9.278 0.624 0.082 459 HD21 LEU 56 3HD2 LEU 56 -6.256 2.588 0.983 460 HD22 LEU 56 1HD2 LEU 56 -7.142 3.689 -0.091 461 HD23 LEU 56 2HD2 LEU 56 -7.129 3.969 1.665 462 H SER 57 HN SER 57 -12.215 5.106 0.940 463 HA SER 57 HA SER 57 -14.027 3.446 -0.362 464 HG SER 57 HG SER 57 -16.258 5.901 -0.533 465 HB2 SER 57 2HB SER 57 -14.446 5.110 1.454 466 HB3 SER 57 3HB SER 57 -14.324 6.419 0.269 467 H ASP 58 HN ASP 58 -12.056 5.996 -1.747 468 HA ASP 58 HA ASP 58 -13.623 6.251 -4.209 469 HB2 ASP 58 2HB ASP 58 -12.265 8.160 -3.299 470 HB3 ASP 58 3HB ASP 58 -10.804 7.217 -3.562 471 H TYR 59 HN TYR 59 -10.321 5.132 -3.375 472 HA TYR 59 HA TYR 59 -10.023 4.011 -5.937 473 HD1 TYR 59 HD2 TYR 59 -8.647 5.502 -6.641 474 HD2 TYR 59 HD1 TYR 59 -7.457 5.380 -2.482 475 HE1 TYR 59 HE2 TYR 59 -8.284 7.920 -6.675 476 HE2 TYR 59 HE1 TYR 59 -6.933 7.786 -2.579 477 HH TYR 59 HH TYR 59 -7.420 9.813 -5.524 478 HB2 TYR 59 2HB TYR 59 -8.337 3.434 -3.473 479 HB3 TYR 59 3HB TYR 59 -7.853 3.214 -5.164 480 H ASN 60 HN ASN 60 -10.599 2.449 -2.883 481 HA ASN 60 HA ASN 60 -11.489 0.640 -2.150 482 HB2 ASN 60 2HB ASN 60 -13.241 1.889 -3.427 483 HB3 ASN 60 3HB ASN 60 -13.075 0.698 -4.722 484 HD21 ASN 60 1HD2 ASN 60 -15.508 0.743 -3.993 485 HD22 ASN 60 2HD2 ASN 60 -15.934 -0.379 -2.692 486 H ILE 61 HN ILE 61 -10.962 -0.200 -5.573 487 HA ILE 61 HA ILE 61 -10.047 -2.071 -6.520 488 HB ILE 61 HB ILE 61 -7.807 -2.389 -5.655 489 HG12 ILE 61 2HG1 ILE 61 -8.324 -1.989 -3.153 490 HG13 ILE 61 3HG1 ILE 61 -6.812 -1.481 -3.846 491 HG21 ILE 61 1HG2 ILE 61 -6.927 -0.353 -6.243 492 HG22 ILE 61 2HG2 ILE 61 -8.346 -0.726 -7.209 493 HG23 ILE 61 3HG2 ILE 61 -8.462 0.474 -5.931 494 HD11 ILE 61 3HD1 ILE 61 -7.314 0.157 -2.366 495 HD12 ILE 61 1HD1 ILE 61 -7.775 0.919 -3.890 496 HD13 ILE 61 2HD1 ILE 61 -8.970 0.251 -2.737 497 H GLN 62 HN GLN 62 -12.082 -3.363 -5.057 498 HA GLN 62 HA GLN 62 -10.814 -4.737 -2.921 499 HB2 GLN 62 2HB GLN 62 -13.507 -5.338 -4.199 500 HB3 GLN 62 3HB GLN 62 -12.842 -6.088 -2.741 501 HG2 GLN 62 2HG GLN 62 -12.475 -3.683 -1.845 502 HG3 GLN 62 3HG GLN 62 -13.503 -3.170 -3.181 503 HE21 GLN 62 1HE2 GLN 62 -14.683 -2.295 -1.287 504 HE22 GLN 62 2HE2 GLN 62 -15.856 -3.315 -0.430 505 H LYS 63 HN LYS 63 -9.502 -6.215 -2.987 506 HA LYS 63 HA LYS 63 -8.345 -8.075 -3.318 507 HB2 LYS 63 2HB LYS 63 -10.699 -8.893 -4.285 508 HB3 LYS 63 3HB LYS 63 -9.808 -8.930 -5.806 509 HG2 LYS 63 2HG LYS 63 -8.138 -10.451 -4.695 510 HG3 LYS 63 3HG LYS 63 -9.137 -10.408 -3.234 511 HD2 LYS 63 2HD LYS 63 -9.899 -11.500 -5.964 512 HD3 LYS 63 3HD LYS 63 -9.623 -12.439 -4.500 513 HE2 LYS 63 2HE LYS 63 -11.922 -10.466 -4.939 514 HE3 LYS 63 3HE LYS 63 -12.036 -12.203 -5.142 515 HZ1 LYS 63 3HZ LYS 63 -12.881 -11.586 -3.043 516 HZ2 LYS 63 1HZ LYS 63 -11.497 -12.439 -2.758 517 HZ3 LYS 63 2HZ LYS 63 -11.533 -10.812 -2.579 518 H GLU 64 HN GLU 64 -9.178 -6.642 -6.503 519 HA GLU 64 HA GLU 64 -6.684 -7.244 -7.737 520 HB2 GLU 64 2HB GLU 64 -8.686 -5.010 -8.274 521 HB3 GLU 64 3HB GLU 64 -7.296 -5.382 -9.314 522 HG2 GLU 64 2HG GLU 64 -8.133 -7.681 -9.629 523 HG3 GLU 64 3HG GLU 64 -9.566 -7.283 -8.682 524 H SER 65 HN SER 65 -7.466 -4.877 -5.387 525 HA SER 65 HA SER 65 -5.848 -2.828 -5.192 526 HG SER 65 HG SER 65 -5.841 -3.104 -1.863 527 HB2 SER 65 2HB SER 65 -7.134 -3.767 -3.303 528 HB3 SER 65 3HB SER 65 -6.096 -5.179 -3.262 529 H THR 66 HN THR 66 -4.479 -5.942 -4.230 530 HA THR 66 HA THR 66 -2.307 -6.477 -3.904 531 HB THR 66 HB THR 66 -2.623 -6.386 -6.879 532 HG1 THR 66 HG1 THR 66 -4.314 -7.484 -6.104 533 HG21 THR 66 3HG2 THR 66 -0.362 -7.176 -6.467 534 HG22 THR 66 1HG2 THR 66 -0.883 -8.129 -5.064 535 HG23 THR 66 2HG2 THR 66 -1.364 -8.602 -6.711 536 H LEU 67 HN LEU 67 -2.227 -3.844 -3.237 537 HA LEU 67 HA LEU 67 -1.059 -2.307 -5.229 538 HG LEU 67 HG LEU 67 -1.571 -0.323 -1.541 539 HB2 LEU 67 2HB LEU 67 -0.924 -0.456 -3.773 540 HB3 LEU 67 3HB LEU 67 -2.435 -1.287 -3.568 541 HD11 LEU 67 1HD1 LEU 67 -2.971 -2.323 -1.419 542 HD12 LEU 67 2HD1 LEU 67 -1.520 -3.350 -1.396 543 HD13 LEU 67 3HD1 LEU 67 -1.833 -2.226 -0.068 544 HD21 LEU 67 3HD2 LEU 67 0.399 -0.860 -0.429 545 HD22 LEU 67 1HD2 LEU 67 0.686 -2.301 -1.383 546 HD23 LEU 67 2HD2 LEU 67 0.921 -0.711 -2.128 547 H HIS 68 HN HIS 68 0.881 -1.515 -5.678 548 HA HIS 68 HA HIS 68 2.877 -3.576 -5.138 549 HD1 HIS 68 HD1 HIS 68 0.566 -4.070 -6.946 550 HD2 HIS 68 HD2 HIS 68 2.163 -0.925 -9.269 551 HE1 HIS 68 HE1 HIS 68 -1.035 -3.699 -8.867 552 HB2 HIS 68 2HB HIS 68 3.431 -1.373 -7.062 553 HB3 HIS 68 3HB HIS 68 3.722 -3.092 -7.200 554 H LEU 69 HN LEU 69 5.093 -3.032 -4.663 555 HA LEU 69 HA LEU 69 5.322 -0.629 -2.928 556 HG LEU 69 HG LEU 69 5.039 -3.063 -0.178 557 HB2 LEU 69 2HB LEU 69 5.560 -3.551 -2.413 558 HB3 LEU 69 3HB LEU 69 6.839 -2.542 -1.764 559 HD11 LEU 69 1HD1 LEU 69 6.541 -1.104 0.005 560 HD12 LEU 69 2HD1 LEU 69 5.313 -0.092 -0.798 561 HD13 LEU 69 3HD1 LEU 69 4.959 -0.885 0.757 562 HD21 LEU 69 3HD2 LEU 69 3.208 -2.698 -2.056 563 HD22 LEU 69 1HD2 LEU 69 2.851 -2.361 -0.379 564 HD23 LEU 69 2HD2 LEU 69 3.253 -1.027 -1.491 565 H VAL 70 HN VAL 70 6.738 0.615 -3.790 566 HA VAL 70 HA VAL 70 9.151 -0.487 -5.101 567 HB VAL 70 HB VAL 70 9.026 1.300 -6.760 568 HG11 VAL 70 1HG1 VAL 70 7.446 0.267 -8.186 569 HG12 VAL 70 2HG1 VAL 70 8.110 -1.013 -7.164 570 HG13 VAL 70 3HG1 VAL 70 6.486 -0.377 -6.832 571 HG21 VAL 70 3HG2 VAL 70 6.985 2.556 -7.168 572 HG22 VAL 70 1HG2 VAL 70 6.201 1.844 -5.744 573 HG23 VAL 70 2HG2 VAL 70 7.597 2.932 -5.551 574 H LEU 71 HN LEU 71 10.777 1.486 -5.350 575 HA LEU 71 HA LEU 71 10.637 3.189 -2.947 576 HG LEU 71 HG LEU 71 14.279 1.011 -3.180 577 HB2 LEU 71 2HB LEU 71 12.929 2.865 -2.429 578 HB3 LEU 71 3HB LEU 71 12.102 1.336 -2.389 579 HD11 LEU 71 1HD1 LEU 71 12.636 0.826 -5.721 580 HD12 LEU 71 2HD1 LEU 71 13.984 -0.191 -5.194 581 HD13 LEU 71 3HD1 LEU 71 12.455 -0.275 -4.331 582 HD21 LEU 71 3HD2 LEU 71 14.701 3.363 -4.012 583 HD22 LEU 71 1HD2 LEU 71 15.415 2.055 -4.951 584 HD23 LEU 71 2HD2 LEU 71 13.968 2.870 -5.556 585 H ARG 72 HN ARG 72 11.795 5.140 -3.172 586 HA ARG 72 HA ARG 72 13.433 5.795 -5.292 587 HE ARG 72 HE ARG 72 12.907 5.945 -8.391 588 HB2 ARG 72 2HB ARG 72 11.347 5.969 -6.679 589 HB3 ARG 72 3HB ARG 72 10.735 7.217 -5.615 590 HG2 ARG 72 2HG ARG 72 12.294 8.805 -6.349 591 HG3 ARG 72 3HG ARG 72 13.514 7.595 -6.758 592 HD2 ARG 72 2HD ARG 72 10.960 8.047 -8.345 593 HD3 ARG 72 3HD ARG 72 12.561 8.694 -8.762 594 HH11 ARG 72 2HH2 ARG 72 11.129 8.010 -10.718 595 HH12 ARG 72 1HH2 ARG 72 11.150 6.771 -11.944 596 HH21 ARG 72 2HH1 ARG 72 12.795 4.366 -9.990 597 HH22 ARG 72 1HH1 ARG 72 12.104 4.746 -11.554 598 H LEU 73 HN LEU 73 14.740 6.582 -3.650 599 HA LEU 73 HA LEU 73 14.011 9.133 -2.460 600 HG LEU 73 HG LEU 73 13.853 8.141 1.154 601 HB2 LEU 73 2HB LEU 73 13.257 7.088 -0.926 602 HB3 LEU 73 3HB LEU 73 14.969 6.927 -0.594 603 HD11 LEU 73 1HD1 LEU 73 15.155 10.146 1.323 604 HD12 LEU 73 2HD1 LEU 73 16.150 8.894 0.573 605 HD13 LEU 73 3HD1 LEU 73 15.438 10.194 -0.420 606 HD21 LEU 73 3HD2 LEU 73 11.926 8.988 -0.160 607 HD22 LEU 73 1HD2 LEU 73 12.655 10.221 0.870 608 HD23 LEU 73 2HD2 LEU 73 12.963 10.237 -0.876 609 H ARG 74 HN ARG 74 15.906 10.325 -2.805 610 HA ARG 74 HA ARG 74 18.373 8.832 -3.517 611 HE ARG 74 HE ARG 74 19.258 14.914 -1.779 612 HB2 ARG 74 2HB ARG 74 19.357 10.942 -4.097 613 HB3 ARG 74 3HB ARG 74 17.735 10.916 -4.752 614 HG2 ARG 74 2HG ARG 74 17.829 13.050 -3.946 615 HG3 ARG 74 3HG ARG 74 17.081 12.249 -2.572 616 HD2 ARG 74 2HD ARG 74 19.491 12.127 -1.560 617 HD3 ARG 74 3HD ARG 74 19.988 13.127 -2.895 618 HH11 ARG 74 2HH2 ARG 74 17.799 12.081 -0.153 619 HH12 ARG 74 1HH2 ARG 74 17.004 13.070 1.030 620 HH21 ARG 74 2HH1 ARG 74 18.221 16.157 -0.125 621 HH22 ARG 74 1HH1 ARG 74 17.247 15.334 1.054 622 H GLY 75 HN GLY 75 20.283 8.796 -2.257 623 HA2 GLY 75 1HA GLY 75 21.108 10.738 -0.605 624 HA3 GLY 75 2HA GLY 75 20.121 9.781 0.502 625 H GLY 76 HN GLY 76 20.939 7.229 -1.046 626 HA2 GLY 76 1HA GLY 76 23.707 6.774 -0.954 627 HA3 GLY 76 2HA GLY 76 23.016 6.388 0.643 Start of MODEL 10 1 HA MET 1 HA MET 1 -11.447 -7.580 3.337 2 H1 MET 1 HN MET 1 -10.820 -6.709 5.515 3 HB2 MET 1 2HB MET 1 -12.229 -5.651 2.291 4 HB3 MET 1 3HB MET 1 -10.773 -4.741 2.572 5 HG2 MET 1 2HG MET 1 -9.577 -6.115 0.883 6 HG3 MET 1 3HG MET 1 -11.081 -7.003 0.595 7 HE1 MET 1 3HE MET 1 -10.203 -2.612 -0.657 8 HE2 MET 1 1HE MET 1 -10.136 -3.076 1.058 9 HE3 MET 1 2HE MET 1 -8.995 -3.784 -0.105 10 H GLN 2 HN GLN 2 -9.780 -8.799 2.086 11 HA GLN 2 HA GLN 2 -7.098 -8.444 3.322 12 HB2 GLN 2 2HB GLN 2 -8.614 -10.961 2.834 13 HB3 GLN 2 3HB GLN 2 -6.841 -10.948 2.955 14 HG2 GLN 2 2HG GLN 2 -6.827 -10.175 5.165 15 HG3 GLN 2 3HG GLN 2 -8.463 -9.543 5.074 16 HE21 GLN 2 1HE2 GLN 2 -8.928 -10.587 7.052 17 HE22 GLN 2 2HE2 GLN 2 -9.284 -12.255 7.177 18 H ILE 3 HN ILE 3 -5.727 -7.648 1.971 19 HA ILE 3 HA ILE 3 -5.979 -8.303 -0.928 20 HB ILE 3 HB ILE 3 -4.976 -6.132 -1.401 21 HG12 ILE 3 2HG1 ILE 3 -5.030 -4.403 0.507 22 HG13 ILE 3 3HG1 ILE 3 -4.927 -5.770 1.610 23 HG21 ILE 3 1HG2 ILE 3 -7.440 -6.401 -1.119 24 HG22 ILE 3 2HG2 ILE 3 -7.285 -5.944 0.589 25 HG23 ILE 3 3HG2 ILE 3 -6.914 -4.783 -0.642 26 HD11 ILE 3 3HD1 ILE 3 -2.912 -4.937 -0.509 27 HD12 ILE 3 1HD1 ILE 3 -2.766 -4.686 1.232 28 HD13 ILE 3 2HD1 ILE 3 -2.707 -6.328 0.597 29 H PHE 4 HN PHE 4 -3.822 -8.083 -2.106 30 HA PHE 4 HA PHE 4 -1.742 -9.573 -0.594 31 HD1 PHE 4 HD2 PHE 4 -1.863 -12.046 -1.175 32 HD2 PHE 4 HD1 PHE 4 -3.953 -10.097 -4.429 33 HE1 PHE 4 HE2 PHE 4 -3.601 -13.804 -1.124 34 HE2 PHE 4 HE1 PHE 4 -5.687 -11.844 -4.341 35 HZ PHE 4 HZ PHE 4 -5.532 -13.636 -2.635 36 HB2 PHE 4 2HB PHE 4 -1.939 -9.181 -3.599 37 HB3 PHE 4 3HB PHE 4 -0.814 -10.217 -2.755 38 H VAL 5 HN VAL 5 0.440 -8.969 -1.346 39 HA VAL 5 HA VAL 5 0.850 -6.179 -2.157 40 HB VAL 5 HB VAL 5 1.366 -7.609 0.404 41 HG11 VAL 5 1HG1 VAL 5 3.487 -5.839 -0.811 42 HG12 VAL 5 2HG1 VAL 5 3.303 -6.104 0.947 43 HG13 VAL 5 3HG1 VAL 5 3.642 -7.453 -0.140 44 HG21 VAL 5 3HG2 VAL 5 0.991 -4.659 -0.217 45 HG22 VAL 5 1HG2 VAL 5 -0.329 -5.792 0.111 46 HG23 VAL 5 2HG2 VAL 5 0.857 -5.530 1.349 47 H LYS 6 HN LYS 6 2.811 -5.887 -3.158 48 HA LYS 6 HA LYS 6 4.491 -8.234 -3.811 49 HB2 LYS 6 2HB LYS 6 3.406 -6.116 -5.729 50 HB3 LYS 6 3HB LYS 6 4.739 -7.197 -6.123 51 HG2 LYS 6 2HG LYS 6 1.917 -8.142 -5.372 52 HG3 LYS 6 3HG LYS 6 2.495 -7.899 -6.999 53 HD2 LYS 6 2HD LYS 6 4.482 -9.566 -5.917 54 HD3 LYS 6 3HD LYS 6 2.992 -10.135 -5.154 55 HE2 LYS 6 2HE LYS 6 3.310 -11.399 -7.157 56 HE3 LYS 6 3HE LYS 6 1.944 -10.299 -7.445 57 HZ1 LYS 6 3HZ LYS 6 4.734 -9.878 -8.349 58 HZ2 LYS 6 1HZ LYS 6 3.492 -10.346 -9.330 59 HZ3 LYS 6 2HZ LYS 6 3.504 -8.846 -8.640 60 H THR 7 HN THR 7 6.394 -7.762 -2.912 61 HA THR 7 HA THR 7 7.377 -4.978 -2.779 62 HB THR 7 HB THR 7 5.963 -5.370 -0.846 63 HG1 THR 7 HG1 THR 7 7.640 -5.051 0.787 64 HG21 THR 7 3HG2 THR 7 6.324 -6.896 0.887 65 HG22 THR 7 1HG2 THR 7 6.038 -7.761 -0.617 66 HG23 THR 7 2HG2 THR 7 7.701 -7.599 0.019 67 H LEU 8 HN LEU 8 8.186 -6.633 -4.574 68 HA LEU 8 HA LEU 8 9.775 -7.809 -5.563 69 HG LEU 8 HG LEU 8 11.853 -7.690 -6.427 70 HB2 LEU 8 2HB LEU 8 11.001 -5.739 -4.840 71 HB3 LEU 8 3HB LEU 8 11.757 -6.674 -3.567 72 HD11 LEU 8 1HD1 LEU 8 13.905 -6.392 -6.805 73 HD12 LEU 8 2HD1 LEU 8 12.507 -5.340 -6.550 74 HD13 LEU 8 3HD1 LEU 8 13.678 -5.575 -5.239 75 HD21 LEU 8 3HD2 LEU 8 12.815 -9.206 -4.746 76 HD22 LEU 8 1HD2 LEU 8 14.113 -8.509 -5.701 77 HD23 LEU 8 2HD2 LEU 8 13.787 -7.883 -4.070 78 H THR 9 HN THR 9 11.344 -8.327 -2.337 79 HA THR 9 HA THR 9 11.488 -11.170 -2.869 80 HB THR 9 HB THR 9 11.712 -9.774 -0.179 81 HG1 THR 9 HG1 THR 9 13.749 -10.211 -2.118 82 HG21 THR 9 3HG2 THR 9 13.064 -12.321 -1.148 83 HG22 THR 9 1HG2 THR 9 13.073 -11.623 0.496 84 HG23 THR 9 2HG2 THR 9 11.589 -12.281 -0.165 85 H GLY 10 HN GLY 10 9.388 -9.067 -0.764 86 HA2 GLY 10 1HA GLY 10 7.828 -11.358 0.080 87 HA3 GLY 10 2HA GLY 10 7.451 -9.674 0.401 88 H LYS 11 HN LYS 11 5.758 -11.877 -0.484 89 HA LYS 11 HA LYS 11 4.306 -10.420 -2.482 90 HB2 LYS 11 2HB LYS 11 3.994 -12.120 -4.101 91 HB3 LYS 11 3HB LYS 11 5.720 -11.874 -3.941 92 HG2 LYS 11 2HG LYS 11 4.124 -14.219 -2.784 93 HG3 LYS 11 3HG LYS 11 5.056 -14.214 -4.263 94 HD2 LYS 11 2HD LYS 11 6.648 -15.144 -3.020 95 HD3 LYS 11 3HD LYS 11 7.050 -13.477 -2.588 96 HE2 LYS 11 2HE LYS 11 5.756 -13.724 -0.479 97 HE3 LYS 11 3HE LYS 11 5.151 -15.287 -1.030 98 HZ1 LYS 11 3HZ LYS 11 7.536 -16.017 -1.042 99 HZ2 LYS 11 1HZ LYS 11 7.900 -14.644 -0.193 100 HZ3 LYS 11 2HZ LYS 11 6.867 -15.771 0.420 101 H THR 12 HN THR 12 2.096 -11.212 -2.548 102 HA THR 12 HA THR 12 0.195 -11.672 -1.498 103 HB THR 12 HB THR 12 1.731 -13.980 -0.351 104 HG1 THR 12 HG1 THR 12 0.729 -14.006 -2.456 105 HG21 THR 12 3HG2 THR 12 -0.506 -14.713 0.632 106 HG22 THR 12 1HG2 THR 12 0.410 -13.581 1.589 107 HG23 THR 12 2HG2 THR 12 -0.978 -13.013 0.636 108 H ILE 13 HN ILE 13 2.415 -12.268 1.227 109 HA ILE 13 HA ILE 13 1.737 -11.922 3.349 110 HB ILE 13 HB ILE 13 3.733 -10.783 2.981 111 HG12 ILE 13 2HG1 ILE 13 1.992 -9.147 4.862 112 HG13 ILE 13 3HG1 ILE 13 2.593 -10.788 5.184 113 HG21 ILE 13 1HG2 ILE 13 3.061 -9.163 1.236 114 HG22 ILE 13 2HG2 ILE 13 2.273 -8.176 2.490 115 HG23 ILE 13 3HG2 ILE 13 4.022 -8.434 2.519 116 HD11 ILE 13 3HD1 ILE 13 4.295 -8.307 4.770 117 HD12 ILE 13 1HD1 ILE 13 4.067 -9.243 6.250 118 HD13 ILE 13 2HD1 ILE 13 4.931 -9.967 4.892 119 H THR 14 HN THR 14 -0.341 -12.277 3.726 120 HA THR 14 HA THR 14 -2.560 -10.869 2.891 121 HB THR 14 HB THR 14 -3.584 -11.865 5.063 122 HG1 THR 14 HG1 THR 14 -1.956 -13.669 5.681 123 HG21 THR 14 3HG2 THR 14 -3.469 -14.115 4.097 124 HG22 THR 14 1HG2 THR 14 -3.713 -12.893 2.848 125 HG23 THR 14 2HG2 THR 14 -2.107 -13.630 3.066 126 H LEU 15 HN LEU 15 -3.654 -9.162 3.438 127 HA LEU 15 HA LEU 15 -2.628 -7.438 5.593 128 HG LEU 15 HG LEU 15 -1.063 -5.294 3.060 129 HB2 LEU 15 2HB LEU 15 -2.026 -7.356 2.808 130 HB3 LEU 15 3HB LEU 15 -3.342 -6.224 2.976 131 HD11 LEU 15 1HD1 LEU 15 -2.791 -4.748 5.494 132 HD12 LEU 15 2HD1 LEU 15 -1.506 -3.702 4.830 133 HD13 LEU 15 3HD1 LEU 15 -2.957 -4.018 3.889 134 HD21 LEU 15 3HD2 LEU 15 -0.882 -6.490 5.865 135 HD22 LEU 15 1HD2 LEU 15 -0.046 -7.117 4.427 136 HD23 LEU 15 2HD2 LEU 15 0.296 -5.500 5.048 137 H GLU 16 HN GLU 16 -4.313 -7.357 6.891 138 HA GLU 16 HA GLU 16 -7.053 -7.165 5.844 139 HB2 GLU 16 2HB GLU 16 -5.710 -6.938 8.559 140 HB3 GLU 16 3HB GLU 16 -7.327 -6.326 8.283 141 HG2 GLU 16 2HG GLU 16 -7.955 -8.669 7.426 142 HG3 GLU 16 3HG GLU 16 -6.437 -9.212 8.165 143 H VAL 17 HN VAL 17 -7.765 -5.204 5.086 144 HA VAL 17 HA VAL 17 -7.093 -2.659 6.204 145 HB VAL 17 HB VAL 17 -5.125 -2.648 4.929 146 HG11 VAL 17 1HG1 VAL 17 -6.537 -4.048 2.660 147 HG12 VAL 17 2HG1 VAL 17 -4.888 -3.388 2.600 148 HG13 VAL 17 3HG1 VAL 17 -5.260 -4.707 3.705 149 HG21 VAL 17 3HG2 VAL 17 -6.509 -0.710 4.308 150 HG22 VAL 17 1HG2 VAL 17 -5.405 -1.214 3.013 151 HG23 VAL 17 2HG2 VAL 17 -7.122 -1.597 2.901 152 H GLU 18 HN GLU 18 -8.710 -1.168 5.424 153 HA GLU 18 HA GLU 18 -10.992 -2.724 4.329 154 HB2 GLU 18 2HB GLU 18 -10.896 -0.189 6.037 155 HB3 GLU 18 3HB GLU 18 -12.376 -0.960 5.470 156 HG2 GLU 18 2HG GLU 18 -10.392 -1.980 7.489 157 HG3 GLU 18 3HG GLU 18 -12.144 -1.842 7.628 158 HA PRO 19 HA PRO 19 -11.266 -0.307 0.713 159 HB2 PRO 19 2HB PRO 19 -13.868 -0.448 0.040 160 HB3 PRO 19 3HB PRO 19 -12.860 -1.915 0.101 161 HG2 PRO 19 2HG PRO 19 -14.652 -0.821 2.322 162 HG3 PRO 19 3HG PRO 19 -14.709 -2.458 1.608 163 HD2 PRO 19 2HD PRO 19 -13.309 -1.986 3.845 164 HD3 PRO 19 3HD PRO 19 -12.647 -3.070 2.593 165 H SER 20 HN SER 20 -11.821 0.919 3.610 166 HA SER 20 HA SER 20 -12.282 3.561 2.560 167 HG SER 20 HG SER 20 -15.165 4.607 3.885 168 HB2 SER 20 2HB SER 20 -14.562 2.557 3.296 169 HB3 SER 20 3HB SER 20 -13.957 2.762 4.948 170 H ASP 21 HN ASP 21 -10.116 1.825 3.659 171 HA ASP 21 HA ASP 21 -9.175 3.012 6.140 172 HB2 ASP 21 2HB ASP 21 -8.594 0.786 4.539 173 HB3 ASP 21 3HB ASP 21 -7.259 1.862 4.236 174 H THR 22 HN THR 22 -6.945 4.291 5.921 175 HA THR 22 HA THR 22 -7.126 6.201 3.610 176 HB THR 22 HB THR 22 -5.608 7.571 5.354 177 HG1 THR 22 HG1 THR 22 -7.570 6.410 7.055 178 HG21 THR 22 3HG2 THR 22 -8.658 7.523 5.281 179 HG22 THR 22 1HG2 THR 22 -7.647 8.840 5.916 180 HG23 THR 22 2HG2 THR 22 -7.571 8.427 4.205 181 H ILE 23 HN ILE 23 -4.988 7.014 2.810 182 HA ILE 23 HA ILE 23 -3.608 4.605 1.990 183 HB ILE 23 HB ILE 23 -3.399 7.554 1.439 184 HG12 ILE 23 2HG1 ILE 23 -3.871 6.941 -0.806 185 HG13 ILE 23 3HG1 ILE 23 -3.741 5.209 -0.410 186 HG21 ILE 23 1HG2 ILE 23 -1.075 7.100 1.573 187 HG22 ILE 23 2HG2 ILE 23 -1.243 5.625 0.603 188 HG23 ILE 23 3HG2 ILE 23 -1.508 7.251 -0.109 189 HD11 ILE 23 3HD1 ILE 23 -6.097 5.826 -0.695 190 HD12 ILE 23 1HD1 ILE 23 -5.777 5.380 0.942 191 HD13 ILE 23 2HD1 ILE 23 -5.909 7.098 0.533 192 H GLU 24 HN GLU 24 -2.835 7.327 4.114 193 HA GLU 24 HA GLU 24 -0.176 6.563 4.819 194 HB2 GLU 24 2HB GLU 24 -2.340 8.319 5.977 195 HB3 GLU 24 3HB GLU 24 -0.875 7.991 6.887 196 HG2 GLU 24 2HG GLU 24 -0.834 9.091 4.065 197 HG3 GLU 24 3HG GLU 24 -0.861 10.108 5.505 198 H ASN 25 HN ASN 25 -3.381 5.485 5.910 199 HA ASN 25 HA ASN 25 -2.283 4.127 8.218 200 HB2 ASN 25 2HB ASN 25 -4.755 4.931 7.766 201 HB3 ASN 25 3HB ASN 25 -4.933 3.372 6.975 202 HD21 ASN 25 1HD2 ASN 25 -2.801 2.235 9.070 203 HD22 ASN 25 2HD2 ASN 25 -3.563 2.583 10.623 204 H VAL 26 HN VAL 26 -3.571 3.098 5.023 205 HA VAL 26 HA VAL 26 -3.089 0.366 5.080 206 HB VAL 26 HB VAL 26 -2.812 2.308 2.742 207 HG11 VAL 26 1HG1 VAL 26 -3.193 0.366 1.275 208 HG12 VAL 26 2HG1 VAL 26 -1.681 0.219 2.147 209 HG13 VAL 26 3HG1 VAL 26 -3.095 -0.707 2.675 210 HG21 VAL 26 3HG2 VAL 26 -5.153 0.929 2.370 211 HG22 VAL 26 1HG2 VAL 26 -5.097 1.038 4.133 212 HG23 VAL 26 2HG2 VAL 26 -5.042 2.494 3.145 213 H LYS 27 HN LYS 27 -0.830 2.922 3.942 214 HA LYS 27 HA LYS 27 1.231 1.025 3.446 215 HB2 LYS 27 2HB LYS 27 2.589 2.863 2.857 216 HB3 LYS 27 3HB LYS 27 0.951 3.301 2.402 217 HG2 LYS 27 2HG LYS 27 0.789 4.500 4.648 218 HG3 LYS 27 3HG LYS 27 2.538 4.357 4.742 219 HD2 LYS 27 2HD LYS 27 0.975 5.705 2.477 220 HD3 LYS 27 3HD LYS 27 1.756 6.527 3.832 221 HE2 LYS 27 2HE LYS 27 3.929 5.415 3.087 222 HE3 LYS 27 3HE LYS 27 3.094 5.020 1.568 223 HZ1 LYS 27 3HZ LYS 27 2.625 7.572 1.630 224 HZ2 LYS 27 1HZ LYS 27 3.857 7.607 2.715 225 HZ3 LYS 27 2HZ LYS 27 4.124 7.061 1.188 226 H ALA 28 HN ALA 28 0.232 2.509 6.434 227 HA ALA 28 HA ALA 28 2.736 1.901 7.715 228 HB1 ALA 28 1HB ALA 28 1.534 2.419 9.720 229 HB2 ALA 28 2HB ALA 28 1.205 3.628 8.476 230 HB3 ALA 28 3HB ALA 28 -0.002 2.380 8.857 231 H LYS 29 HN LYS 29 -0.304 0.149 7.273 232 HA LYS 29 HA LYS 29 0.091 -1.948 9.122 233 HB2 LYS 29 2HB LYS 29 -1.062 -2.334 6.335 234 HB3 LYS 29 3HB LYS 29 -1.465 -3.222 7.808 235 HG2 LYS 29 2HG LYS 29 -2.418 -0.967 8.659 236 HG3 LYS 29 3HG LYS 29 -2.126 -0.387 7.013 237 HD2 LYS 29 2HD LYS 29 -4.174 -1.062 6.532 238 HD3 LYS 29 3HD LYS 29 -3.458 -2.681 6.404 239 HE2 LYS 29 2HE LYS 29 -4.604 -1.417 8.947 240 HE3 LYS 29 3HE LYS 29 -5.499 -2.488 7.867 241 HZ1 LYS 29 3HZ LYS 29 -3.872 -4.215 8.319 242 HZ2 LYS 29 1HZ LYS 29 -3.128 -3.278 9.461 243 HZ3 LYS 29 2HZ LYS 29 -4.721 -3.730 9.625 244 H ILE 30 HN ILE 30 0.992 -1.721 5.728 245 HA ILE 30 HA ILE 30 2.283 -4.286 5.584 246 HB ILE 30 HB ILE 30 3.471 -3.040 3.548 247 HG12 ILE 30 2HG1 ILE 30 0.972 -1.363 3.931 248 HG13 ILE 30 3HG1 ILE 30 2.647 -0.849 4.206 249 HG21 ILE 30 1HG2 ILE 30 1.692 -3.705 2.110 250 HG22 ILE 30 2HG2 ILE 30 1.906 -4.909 3.382 251 HG23 ILE 30 3HG2 ILE 30 0.542 -3.753 3.471 252 HD11 ILE 30 3HD1 ILE 30 2.274 -0.025 2.093 253 HD12 ILE 30 1HD1 ILE 30 2.982 -1.568 1.751 254 HD13 ILE 30 2HD1 ILE 30 1.221 -1.392 1.641 255 H GLN 31 HN GLN 31 3.606 -0.916 5.995 256 HA GLN 31 HA GLN 31 6.207 -1.882 5.827 257 HB2 GLN 31 2HB GLN 31 6.907 0.327 6.151 258 HB3 GLN 31 3HB GLN 31 5.296 0.476 5.550 259 HG2 GLN 31 2HG GLN 31 4.638 0.591 8.097 260 HG3 GLN 31 3HG GLN 31 6.321 1.064 8.307 261 HE21 GLN 31 1HE2 GLN 31 4.527 2.871 9.122 262 HE22 GLN 31 2HE2 GLN 31 4.169 4.105 7.916 263 H ASP 32 HN ASP 32 4.081 -1.489 8.553 264 HA ASP 32 HA ASP 32 5.757 -2.204 10.740 265 HB2 ASP 32 2HB ASP 32 3.598 -1.218 11.082 266 HB3 ASP 32 3HB ASP 32 2.789 -2.477 10.156 267 H LYS 33 HN LYS 33 3.479 -4.296 8.845 268 HA LYS 33 HA LYS 33 4.413 -6.710 10.056 269 HB2 LYS 33 2HB LYS 33 2.768 -6.115 7.570 270 HB3 LYS 33 3HB LYS 33 3.115 -7.766 8.103 271 HG2 LYS 33 2HG LYS 33 2.032 -7.406 10.248 272 HG3 LYS 33 3HG LYS 33 1.776 -5.694 9.885 273 HD2 LYS 33 2HD LYS 33 -0.292 -6.801 9.493 274 HD3 LYS 33 3HD LYS 33 0.375 -6.315 7.940 275 HE2 LYS 33 2HE LYS 33 -0.587 -8.501 7.699 276 HE3 LYS 33 3HE LYS 33 1.169 -8.696 7.581 277 HZ1 LYS 33 3HZ LYS 33 -0.174 -9.070 10.177 278 HZ2 LYS 33 1HZ LYS 33 -0.267 -10.242 9.036 279 HZ3 LYS 33 2HZ LYS 33 1.201 -9.792 9.603 280 H GLU 34 HN GLU 34 6.001 -4.869 7.711 281 HA GLU 34 HA GLU 34 7.569 -7.240 6.825 282 HB2 GLU 34 2HB GLU 34 6.347 -6.316 5.029 283 HB3 GLU 34 3HB GLU 34 6.872 -4.667 5.379 284 HG2 GLU 34 2HG GLU 34 9.109 -5.124 4.669 285 HG3 GLU 34 3HG GLU 34 8.820 -6.856 4.697 286 H GLY 35 HN GLY 35 7.708 -4.684 9.005 287 HA2 GLY 35 1HA GLY 35 9.460 -3.968 10.299 288 HA3 GLY 35 2HA GLY 35 10.464 -5.221 9.549 289 H ILE 36 HN ILE 36 8.860 -2.643 7.718 290 HA ILE 36 HA ILE 36 11.497 -1.456 6.999 291 HB ILE 36 HB ILE 36 10.731 -2.798 5.190 292 HG12 ILE 36 2HG1 ILE 36 10.066 0.114 4.555 293 HG13 ILE 36 3HG1 ILE 36 11.674 -0.621 4.548 294 HG21 ILE 36 1HG2 ILE 36 8.592 -2.774 4.133 295 HG22 ILE 36 2HG2 ILE 36 8.265 -2.908 5.839 296 HG23 ILE 36 3HG2 ILE 36 8.090 -1.330 5.028 297 HD11 ILE 36 3HD1 ILE 36 10.904 -0.479 2.280 298 HD12 ILE 36 1HD1 ILE 36 10.918 -2.190 2.749 299 HD13 ILE 36 2HD1 ILE 36 9.387 -1.293 2.657 300 HA PRO 37 HA PRO 37 9.277 2.112 8.498 301 HB2 PRO 37 2HB PRO 37 10.949 4.182 7.900 302 HB3 PRO 37 3HB PRO 37 11.364 2.907 9.085 303 HG2 PRO 37 2HG PRO 37 12.185 3.080 6.168 304 HG3 PRO 37 3HG PRO 37 13.233 2.791 7.594 305 HD2 PRO 37 2HD PRO 37 12.259 0.756 6.059 306 HD3 PRO 37 3HD PRO 37 12.481 0.575 7.823 307 HA PRO 38 HA PRO 38 6.911 3.994 5.191 308 HB2 PRO 38 2HB PRO 38 6.539 6.600 6.191 309 HB3 PRO 38 3HB PRO 38 5.542 5.214 6.641 310 HG2 PRO 38 2HG PRO 38 7.845 6.455 8.108 311 HG3 PRO 38 3HG PRO 38 6.374 5.683 8.785 312 HD2 PRO 38 2HD PRO 38 8.809 4.475 8.769 313 HD3 PRO 38 3HD PRO 38 7.286 3.560 8.652 314 H ASP 39 HN ASP 39 9.767 5.601 6.403 315 HA ASP 39 HA ASP 39 9.891 7.527 4.315 316 HB2 ASP 39 2HB ASP 39 11.495 6.670 6.637 317 HB3 ASP 39 3HB ASP 39 12.477 7.216 5.283 318 H GLN 40 HN GLN 40 10.415 4.174 4.178 319 HA GLN 40 HA GLN 40 11.931 4.493 1.634 320 HB2 GLN 40 2HB GLN 40 12.329 2.606 3.814 321 HB3 GLN 40 3HB GLN 40 11.825 1.754 2.364 322 HG2 GLN 40 2HG GLN 40 14.119 1.785 2.171 323 HG3 GLN 40 3HG GLN 40 13.623 3.076 1.087 324 HE21 GLN 40 1HE2 GLN 40 13.628 5.455 2.413 325 HE22 GLN 40 2HE2 GLN 40 15.092 5.617 3.364 326 H GLN 41 HN GLN 41 9.319 2.487 3.123 327 HA GLN 41 HA GLN 41 8.473 1.360 0.676 328 HB2 GLN 41 2HB GLN 41 8.115 0.601 3.085 329 HB3 GLN 41 3HB GLN 41 6.889 1.836 3.220 330 HG2 GLN 41 2HG GLN 41 5.907 0.602 1.034 331 HG3 GLN 41 3HG GLN 41 6.927 -0.724 1.614 332 HE21 GLN 41 1HE2 GLN 41 4.649 1.761 2.893 333 HE22 GLN 41 2HE2 GLN 41 3.902 0.701 4.036 334 H ARG 42 HN ARG 42 7.324 2.218 -0.990 335 HA ARG 42 HA ARG 42 5.622 4.637 -0.575 336 HE ARG 42 HE ARG 42 7.485 7.740 -3.393 337 HB2 ARG 42 2HB ARG 42 6.648 3.285 -3.113 338 HB3 ARG 42 3HB ARG 42 5.614 4.714 -3.059 339 HG2 ARG 42 2HG ARG 42 7.475 5.833 -1.651 340 HG3 ARG 42 3HG ARG 42 8.475 4.438 -2.073 341 HD2 ARG 42 2HD ARG 42 9.076 5.994 -3.679 342 HD3 ARG 42 3HD ARG 42 7.909 4.997 -4.549 343 HH11 ARG 42 2HH2 ARG 42 6.240 5.288 -5.744 344 HH12 ARG 42 1HH2 ARG 42 5.109 6.437 -6.364 345 HH21 ARG 42 2HH1 ARG 42 5.758 8.913 -4.049 346 HH22 ARG 42 1HH1 ARG 42 4.873 8.517 -5.497 347 H LEU 43 HN LEU 43 3.453 4.529 -1.821 348 HA LEU 43 HA LEU 43 2.319 1.795 -1.777 349 HG LEU 43 HG LEU 43 -0.582 2.914 0.454 350 HB2 LEU 43 2HB LEU 43 1.751 3.438 0.202 351 HB3 LEU 43 3HB LEU 43 0.765 4.251 -0.943 352 HD11 LEU 43 1HD1 LEU 43 -1.242 2.820 -1.992 353 HD12 LEU 43 2HD1 LEU 43 -0.604 1.188 -2.025 354 HD13 LEU 43 3HD1 LEU 43 -1.899 1.584 -0.917 355 HD21 LEU 43 3HD2 LEU 43 1.656 1.004 0.176 356 HD22 LEU 43 1HD2 LEU 43 0.512 1.312 1.497 357 HD23 LEU 43 2HD2 LEU 43 0.037 0.257 0.204 358 H ILE 44 HN ILE 44 0.703 1.467 -3.567 359 HA ILE 44 HA ILE 44 0.396 3.664 -5.478 360 HB ILE 44 HB ILE 44 2.691 2.968 -5.790 361 HG12 ILE 44 2HG1 ILE 44 2.709 2.346 -8.199 362 HG13 ILE 44 3HG1 ILE 44 0.951 2.170 -8.137 363 HG21 ILE 44 1HG2 ILE 44 2.609 0.653 -5.001 364 HG22 ILE 44 2HG2 ILE 44 1.750 0.188 -6.492 365 HG23 ILE 44 3HG2 ILE 44 3.389 0.828 -6.583 366 HD11 ILE 44 3HD1 ILE 44 2.522 4.696 -7.438 367 HD12 ILE 44 1HD1 ILE 44 1.658 4.407 -8.958 368 HD13 ILE 44 2HD1 ILE 44 0.750 4.523 -7.442 369 H PHE 45 HN PHE 45 -1.897 3.236 -5.007 370 HA PHE 45 HA PHE 45 -3.041 0.738 -5.993 371 HD1 PHE 45 HD1 PHE 45 -4.789 -0.048 -4.609 372 HD2 PHE 45 HD2 PHE 45 -4.407 4.005 -3.217 373 HE1 PHE 45 HE1 PHE 45 -4.947 -0.808 -2.279 374 HE2 PHE 45 HE2 PHE 45 -4.600 3.215 -0.890 375 HZ PHE 45 HZ PHE 45 -4.855 0.794 -0.422 376 HB2 PHE 45 2HB PHE 45 -4.430 3.447 -5.713 377 HB3 PHE 45 3HB PHE 45 -5.179 1.936 -6.119 378 H ALA 46 HN ALA 46 -3.526 0.254 -7.988 379 HA ALA 46 HA ALA 46 -3.234 0.028 -10.150 380 HB1 ALA 46 1HB ALA 46 -5.414 1.080 -10.061 381 HB2 ALA 46 2HB ALA 46 -4.687 2.697 -10.173 382 HB3 ALA 46 3HB ALA 46 -4.554 1.562 -11.535 383 H GLY 47 HN GLY 47 -2.732 3.555 -10.195 384 HA2 GLY 47 1HA GLY 47 0.056 3.514 -10.485 385 HA3 GLY 47 2HA GLY 47 -0.619 3.579 -12.124 386 H LYS 48 HN LYS 48 -1.057 5.130 -8.881 387 HA LYS 48 HA LYS 48 -1.274 7.771 -10.214 388 HB2 LYS 48 2HB LYS 48 -3.272 8.320 -8.890 389 HB3 LYS 48 3HB LYS 48 -3.568 7.004 -9.986 390 HG2 LYS 48 2HG LYS 48 -4.146 5.583 -8.371 391 HG3 LYS 48 3HG LYS 48 -2.695 5.907 -7.466 392 HD2 LYS 48 2HD LYS 48 -5.327 7.403 -7.348 393 HD3 LYS 48 3HD LYS 48 -4.646 6.388 -6.099 394 HE2 LYS 48 2HE LYS 48 -3.428 8.109 -5.220 395 HE3 LYS 48 3HE LYS 48 -2.768 8.519 -6.817 396 HZ1 LYS 48 3HZ LYS 48 -5.265 9.498 -5.639 397 HZ2 LYS 48 1HZ LYS 48 -3.954 10.389 -6.090 398 HZ3 LYS 48 2HZ LYS 48 -4.903 9.690 -7.235 399 H GLN 49 HN GLN 49 -1.270 9.582 -8.376 400 HA GLN 49 HA GLN 49 1.387 9.259 -7.517 401 HB2 GLN 49 2HB GLN 49 -0.671 11.394 -6.911 402 HB3 GLN 49 3HB GLN 49 1.043 11.514 -6.452 403 HG2 GLN 49 2HG GLN 49 1.767 11.433 -8.745 404 HG3 GLN 49 3HG GLN 49 0.161 10.988 -9.316 405 HE21 GLN 49 1HE2 GLN 49 1.856 13.720 -7.580 406 HE22 GLN 49 2HE2 GLN 49 0.859 14.935 -8.300 407 H LEU 50 HN LEU 50 -1.555 8.990 -5.591 408 HA LEU 50 HA LEU 50 -2.007 7.875 -3.699 409 HG LEU 50 HG LEU 50 -0.866 4.418 -3.816 410 HB2 LEU 50 2HB LEU 50 -0.027 6.318 -4.980 411 HB3 LEU 50 3HB LEU 50 0.503 6.381 -3.333 412 HD11 LEU 50 1HD1 LEU 50 -2.256 6.384 -2.022 413 HD12 LEU 50 2HD1 LEU 50 -2.435 4.611 -1.973 414 HD13 LEU 50 3HD1 LEU 50 -0.879 5.380 -1.571 415 HD21 LEU 50 3HD2 LEU 50 -3.014 4.518 -4.620 416 HD22 LEU 50 1HD2 LEU 50 -3.298 6.187 -4.120 417 HD23 LEU 50 2HD2 LEU 50 -2.234 5.795 -5.497 418 H GLU 51 HN GLU 51 -1.541 10.285 -3.224 419 HA GLU 51 HA GLU 51 0.316 10.461 -0.912 420 HB2 GLU 51 2HB GLU 51 0.823 11.504 -3.174 421 HB3 GLU 51 3HB GLU 51 -0.513 12.614 -2.853 422 HG2 GLU 51 2HG GLU 51 0.651 13.518 -0.909 423 HG3 GLU 51 3HG GLU 51 1.918 12.282 -1.060 424 H ASP 52 HN ASP 52 -1.792 9.479 -0.097 425 HA ASP 52 HA ASP 52 -4.007 9.615 0.662 426 HB2 ASP 52 2HB ASP 52 -2.276 9.342 2.411 427 HB3 ASP 52 3HB ASP 52 -2.429 11.068 2.793 428 H GLY 53 HN GLY 53 -4.646 11.203 -1.129 429 HA2 GLY 53 1HA GLY 53 -6.149 13.371 0.313 430 HA3 GLY 53 2HA GLY 53 -5.377 13.687 -1.239 431 H ARG 54 HN ARG 54 -6.444 10.510 -1.285 432 HA ARG 54 HA ARG 54 -9.236 10.902 -1.574 433 HE ARG 54 HE ARG 54 -10.949 12.731 -5.320 434 HB2 ARG 54 2HB ARG 54 -7.580 10.096 -3.983 435 HB3 ARG 54 3HB ARG 54 -9.068 9.203 -3.685 436 HG2 ARG 54 2HG ARG 54 -8.825 12.202 -4.015 437 HG3 ARG 54 3HG ARG 54 -9.288 11.061 -5.283 438 HD2 ARG 54 2HD ARG 54 -11.243 10.351 -3.890 439 HD3 ARG 54 3HD ARG 54 -10.832 11.614 -2.712 440 HH11 ARG 54 2HH2 ARG 54 -13.117 11.663 -2.656 441 HH12 ARG 54 1HH2 ARG 54 -14.451 12.551 -3.247 442 HH21 ARG 54 2HH1 ARG 54 -12.732 13.844 -6.082 443 HH22 ARG 54 1HH1 ARG 54 -14.192 13.986 -5.144 444 H THR 55 HN THR 55 -10.123 9.205 -0.647 445 HA THR 55 HA THR 55 -8.421 7.596 0.902 446 HB THR 55 HB THR 55 -11.473 7.663 0.609 447 HG1 THR 55 HG1 THR 55 -11.481 9.554 1.632 448 HG21 THR 55 3HG2 THR 55 -10.902 6.051 2.306 449 HG22 THR 55 1HG2 THR 55 -9.617 7.100 2.955 450 HG23 THR 55 2HG2 THR 55 -11.308 7.541 3.161 451 H LEU 56 HN LEU 56 -9.118 5.178 1.366 452 HA LEU 56 HA LEU 56 -9.071 3.512 -0.950 453 HG LEU 56 HG LEU 56 -8.153 1.629 2.154 454 HB2 LEU 56 2HB LEU 56 -9.927 3.145 1.917 455 HB3 LEU 56 3HB LEU 56 -10.310 1.921 0.762 456 HD11 LEU 56 1HD1 LEU 56 -8.512 1.225 -0.791 457 HD12 LEU 56 2HD1 LEU 56 -7.142 0.499 0.093 458 HD13 LEU 56 3HD1 LEU 56 -8.797 0.063 0.513 459 HD21 LEU 56 3HD2 LEU 56 -7.057 3.750 1.698 460 HD22 LEU 56 1HD2 LEU 56 -6.111 2.424 1.030 461 HD23 LEU 56 2HD2 LEU 56 -7.054 3.423 -0.059 462 H SER 57 HN SER 57 -11.821 5.194 0.624 463 HA SER 57 HA SER 57 -13.755 3.562 -0.651 464 HG SER 57 HG SER 57 -15.833 4.294 -0.142 465 HB2 SER 57 2HB SER 57 -14.091 5.069 1.308 466 HB3 SER 57 3HB SER 57 -14.035 6.462 0.215 467 H ASP 58 HN ASP 58 -11.677 5.990 -2.036 468 HA ASP 58 HA ASP 58 -13.363 6.288 -4.463 469 HB2 ASP 58 2HB ASP 58 -12.410 8.318 -3.482 470 HB3 ASP 58 3HB ASP 58 -10.789 7.630 -3.586 471 H TYR 59 HN TYR 59 -10.062 5.138 -3.414 472 HA TYR 59 HA TYR 59 -9.477 4.169 -6.067 473 HD1 TYR 59 HD2 TYR 59 -8.407 6.037 -6.154 474 HD2 TYR 59 HD1 TYR 59 -6.522 4.527 -2.568 475 HE1 TYR 59 HE2 TYR 59 -7.358 8.204 -5.817 476 HE2 TYR 59 HE1 TYR 59 -5.237 6.651 -2.410 477 HH TYR 59 HH TYR 59 -5.747 8.897 -2.867 478 HB2 TYR 59 2HB TYR 59 -8.194 3.299 -3.497 479 HB3 TYR 59 3HB TYR 59 -7.547 3.113 -5.135 480 H ASN 60 HN ASN 60 -10.567 2.596 -3.168 481 HA ASN 60 HA ASN 60 -11.632 0.866 -2.522 482 HB2 ASN 60 2HB ASN 60 -13.162 2.343 -3.931 483 HB3 ASN 60 3HB ASN 60 -13.146 1.040 -5.104 484 HD21 ASN 60 1HD2 ASN 60 -13.172 -1.082 -2.771 485 HD22 ASN 60 2HD2 ASN 60 -14.812 -1.029 -2.205 486 H ILE 61 HN ILE 61 -10.374 0.088 -5.694 487 HA ILE 61 HA ILE 61 -9.706 -2.000 -6.482 488 HB ILE 61 HB ILE 61 -7.646 -2.428 -5.317 489 HG12 ILE 61 2HG1 ILE 61 -8.251 -1.758 -2.919 490 HG13 ILE 61 3HG1 ILE 61 -6.741 -1.196 -3.608 491 HG21 ILE 61 1HG2 ILE 61 -7.684 -0.880 -7.072 492 HG22 ILE 61 2HG2 ILE 61 -8.210 0.441 -6.047 493 HG23 ILE 61 3HG2 ILE 61 -6.596 -0.266 -5.834 494 HD11 ILE 61 3HD1 ILE 61 -7.377 0.617 -2.460 495 HD12 ILE 61 1HD1 ILE 61 -8.032 1.047 -4.011 496 HD13 ILE 61 2HD1 ILE 61 -9.093 0.371 -2.746 497 H GLN 62 HN GLN 62 -10.834 -3.817 -6.537 498 HA GLN 62 HA GLN 62 -11.291 -5.341 -4.004 499 HB2 GLN 62 2HB GLN 62 -12.630 -5.445 -6.731 500 HB3 GLN 62 3HB GLN 62 -13.078 -6.428 -5.328 501 HG2 GLN 62 2HG GLN 62 -13.082 -3.354 -5.334 502 HG3 GLN 62 3HG GLN 62 -14.465 -4.367 -5.666 503 HE21 GLN 62 1HE2 GLN 62 -12.318 -3.196 -3.068 504 HE22 GLN 62 2HE2 GLN 62 -13.317 -3.874 -1.804 505 H LYS 63 HN LYS 63 -9.576 -6.514 -3.645 506 HA LYS 63 HA LYS 63 -7.947 -8.014 -3.702 507 HB2 LYS 63 2HB LYS 63 -9.867 -9.398 -4.264 508 HB3 LYS 63 3HB LYS 63 -9.567 -9.169 -5.987 509 HG2 LYS 63 2HG LYS 63 -7.423 -10.424 -5.748 510 HG3 LYS 63 3HG LYS 63 -7.727 -10.571 -4.005 511 HD2 LYS 63 2HD LYS 63 -8.411 -12.643 -5.087 512 HD3 LYS 63 3HD LYS 63 -9.840 -11.796 -4.492 513 HE2 LYS 63 2HE LYS 63 -9.469 -10.826 -7.131 514 HE3 LYS 63 3HE LYS 63 -9.068 -12.535 -7.250 515 HZ1 LYS 63 3HZ LYS 63 -11.251 -13.064 -6.370 516 HZ2 LYS 63 1HZ LYS 63 -11.601 -11.458 -6.127 517 HZ3 LYS 63 2HZ LYS 63 -11.401 -12.039 -7.641 518 H GLU 64 HN GLU 64 -8.497 -6.660 -6.910 519 HA GLU 64 HA GLU 64 -5.794 -6.926 -7.836 520 HB2 GLU 64 2HB GLU 64 -8.053 -6.423 -9.082 521 HB3 GLU 64 3HB GLU 64 -7.727 -4.758 -8.609 522 HG2 GLU 64 2HG GLU 64 -5.294 -5.415 -9.658 523 HG3 GLU 64 3HG GLU 64 -6.278 -6.577 -10.524 524 H SER 65 HN SER 65 -6.982 -5.333 -5.220 525 HA SER 65 HA SER 65 -5.615 -2.874 -4.939 526 HG SER 65 HG SER 65 -5.124 -3.333 -2.178 527 HB2 SER 65 2HB SER 65 -7.536 -3.755 -3.596 528 HB3 SER 65 3HB SER 65 -6.511 -5.033 -2.984 529 H THR 66 HN THR 66 -3.797 -5.196 -5.971 530 HA THR 66 HA THR 66 -2.375 -6.131 -3.739 531 HB THR 66 HB THR 66 -0.830 -7.108 -5.382 532 HG1 THR 66 HG1 THR 66 -0.605 -5.920 -7.121 533 HG21 THR 66 3HG2 THR 66 -3.678 -7.259 -6.456 534 HG22 THR 66 1HG2 THR 66 -2.433 -8.519 -6.494 535 HG23 THR 66 2HG2 THR 66 -3.203 -8.046 -4.957 536 H LEU 67 HN LEU 67 -1.991 -3.311 -5.700 537 HA LEU 67 HA LEU 67 -0.376 -1.892 -6.172 538 HG LEU 67 HG LEU 67 0.881 -2.666 -2.816 539 HB2 LEU 67 2HB LEU 67 0.535 -0.515 -4.520 540 HB3 LEU 67 3HB LEU 67 -1.117 -0.855 -4.077 541 HD11 LEU 67 1HD1 LEU 67 1.181 0.253 -2.398 542 HD12 LEU 67 2HD1 LEU 67 1.571 -0.910 -1.140 543 HD13 LEU 67 3HD1 LEU 67 2.411 -0.965 -2.706 544 HD21 LEU 67 3HD2 LEU 67 -1.449 -2.643 -2.202 545 HD22 LEU 67 1HD2 LEU 67 -0.422 -2.209 -0.835 546 HD23 LEU 67 2HD2 LEU 67 -1.343 -0.947 -1.683 547 H HIS 68 HN HIS 68 2.147 -1.340 -5.283 548 HA HIS 68 HA HIS 68 3.754 -3.768 -5.442 549 HD1 HIS 68 HD1 HIS 68 1.525 -4.219 -8.220 550 HD2 HIS 68 HD2 HIS 68 2.912 -0.259 -8.561 551 HE1 HIS 68 HE1 HIS 68 -0.217 -2.964 -9.584 552 HB2 HIS 68 2HB HIS 68 4.642 -1.988 -7.548 553 HB3 HIS 68 3HB HIS 68 4.251 -3.692 -7.622 554 H LEU 69 HN LEU 69 4.347 -3.010 -3.346 555 HA LEU 69 HA LEU 69 5.049 -0.196 -2.969 556 HG LEU 69 HG LEU 69 5.423 -3.571 -1.476 557 HB2 LEU 69 2HB LEU 69 6.190 -1.127 -0.850 558 HB3 LEU 69 3HB LEU 69 4.466 -0.804 -0.910 559 HD11 LEU 69 1HD1 LEU 69 6.583 -2.833 0.630 560 HD12 LEU 69 2HD1 LEU 69 5.010 -2.356 1.287 561 HD13 LEU 69 3HD1 LEU 69 5.347 -4.050 0.971 562 HD21 LEU 69 3HD2 LEU 69 3.222 -3.917 -0.044 563 HD22 LEU 69 1HD2 LEU 69 2.940 -2.265 -0.367 564 HD23 LEU 69 2HD2 LEU 69 3.055 -3.389 -1.744 565 H VAL 70 HN VAL 70 6.984 0.690 -3.147 566 HA VAL 70 HA VAL 70 9.345 -0.930 -3.748 567 HB VAL 70 HB VAL 70 9.962 0.743 -5.542 568 HG11 VAL 70 1HG1 VAL 70 8.738 -0.408 -7.313 569 HG12 VAL 70 2HG1 VAL 70 9.223 -1.552 -6.054 570 HG13 VAL 70 3HG1 VAL 70 7.536 -1.009 -6.152 571 HG21 VAL 70 3HG2 VAL 70 8.170 2.461 -4.999 572 HG22 VAL 70 1HG2 VAL 70 8.300 2.014 -6.706 573 HG23 VAL 70 2HG2 VAL 70 6.985 1.346 -5.730 574 H LEU 71 HN LEU 71 11.317 0.505 -3.525 575 HA LEU 71 HA LEU 71 11.070 1.893 -0.989 576 HG LEU 71 HG LEU 71 12.654 0.767 0.210 577 HB2 LEU 71 2HB LEU 71 13.346 1.002 -2.761 578 HB3 LEU 71 3HB LEU 71 13.636 2.249 -1.573 579 HD11 LEU 71 1HD1 LEU 71 11.430 -0.880 -1.125 580 HD12 LEU 71 2HD1 LEU 71 12.929 -1.365 -1.953 581 HD13 LEU 71 3HD1 LEU 71 12.706 -1.691 -0.225 582 HD21 LEU 71 3HD2 LEU 71 15.126 -0.324 -1.179 583 HD22 LEU 71 1HD2 LEU 71 15.107 1.107 -0.128 584 HD23 LEU 71 2HD2 LEU 71 14.708 -0.485 0.529 585 H ARG 72 HN ARG 72 12.746 4.045 -1.005 586 HA ARG 72 HA ARG 72 10.967 5.993 -2.213 587 HE ARG 72 HE ARG 72 9.670 10.100 -0.549 588 HB2 ARG 72 2HB ARG 72 12.053 6.085 0.134 589 HB3 ARG 72 3HB ARG 72 13.524 6.581 -0.676 590 HG2 ARG 72 2HG ARG 72 12.541 8.605 -0.097 591 HG3 ARG 72 3HG ARG 72 12.034 8.438 -1.753 592 HD2 ARG 72 2HD ARG 72 9.806 7.891 -1.149 593 HD3 ARG 72 3HD ARG 72 10.247 7.446 0.476 594 HH11 ARG 72 2HH2 ARG 72 11.037 8.251 2.149 595 HH12 ARG 72 1HH2 ARG 72 10.846 9.527 3.329 596 HH21 ARG 72 2HH1 ARG 72 9.648 11.902 0.976 597 HH22 ARG 72 1HH1 ARG 72 10.144 11.620 2.617 598 H LEU 73 HN LEU 73 11.324 5.456 -4.321 599 HA LEU 73 HA LEU 73 13.353 4.786 -5.748 600 HG LEU 73 HG LEU 73 12.616 4.156 -7.940 601 HB2 LEU 73 2HB LEU 73 10.911 5.203 -6.369 602 HB3 LEU 73 3HB LEU 73 11.407 6.789 -6.949 603 HD11 LEU 73 1HD1 LEU 73 10.180 4.153 -8.326 604 HD12 LEU 73 2HD1 LEU 73 10.290 5.749 -9.114 605 HD13 LEU 73 3HD1 LEU 73 11.059 4.325 -9.843 606 HD21 LEU 73 3HD2 LEU 73 13.061 5.561 -10.003 607 HD22 LEU 73 1HD2 LEU 73 12.625 6.996 -9.057 608 HD23 LEU 73 2HD2 LEU 73 14.029 5.993 -8.616 609 H ARG 74 HN ARG 74 12.838 8.252 -5.076 610 HA ARG 74 HA ARG 74 15.733 8.578 -5.454 611 HE ARG 74 HE ARG 74 17.432 13.015 -7.403 612 HB2 ARG 74 2HB ARG 74 14.471 9.942 -7.212 613 HB3 ARG 74 3HB ARG 74 13.734 10.830 -5.871 614 HG2 ARG 74 2HG ARG 74 16.222 11.268 -5.122 615 HG3 ARG 74 3HG ARG 74 16.636 10.752 -6.767 616 HD2 ARG 74 2HD ARG 74 14.930 12.512 -7.556 617 HD3 ARG 74 3HD ARG 74 14.856 13.034 -5.881 618 HH11 ARG 74 2HH2 ARG 74 15.095 14.857 -5.406 619 HH12 ARG 74 1HH2 ARG 74 16.156 16.213 -5.240 620 HH21 ARG 74 2HH1 ARG 74 18.696 14.745 -7.247 621 HH22 ARG 74 1HH1 ARG 74 18.317 16.138 -6.263 622 H GLY 75 HN GLY 75 16.604 9.120 -3.496 623 HA2 GLY 75 1HA GLY 75 15.130 10.466 -1.388 624 HA3 GLY 75 2HA GLY 75 15.332 8.728 -1.091 625 H GLY 76 HN GLY 76 17.837 8.271 -2.213 626 HA2 GLY 76 1HA GLY 76 20.148 8.837 -2.217 627 HA3 GLY 76 2HA GLY 76 19.817 10.183 -1.106 Start of MODEL 11 1 HA MET 1 HA MET 1 -10.297 -8.629 1.417 2 H1 MET 1 HN MET 1 -10.984 -7.932 4.210 3 HB2 MET 1 2HB MET 1 -11.856 -6.649 1.854 4 HB3 MET 1 3HB MET 1 -10.484 -5.838 2.608 5 HG2 MET 1 2HG MET 1 -9.226 -6.184 0.401 6 HG3 MET 1 3HG MET 1 -10.745 -6.798 -0.259 7 HE1 MET 1 3HE MET 1 -8.561 -3.704 0.397 8 HE2 MET 1 1HE MET 1 -9.724 -2.428 0.814 9 HE3 MET 1 2HE MET 1 -9.417 -3.757 1.956 10 H GLN 2 HN GLN 2 -8.554 -9.913 2.929 11 HA GLN 2 HA GLN 2 -6.292 -8.134 3.542 12 HB2 GLN 2 2HB GLN 2 -6.591 -11.152 3.476 13 HB3 GLN 2 3HB GLN 2 -5.025 -10.349 3.574 14 HG2 GLN 2 2HG GLN 2 -5.219 -10.003 5.765 15 HG3 GLN 2 3HG GLN 2 -6.739 -9.132 5.561 16 HE21 GLN 2 1HE2 GLN 2 -5.445 -11.708 7.193 17 HE22 GLN 2 2HE2 GLN 2 -6.783 -12.815 7.213 18 H ILE 3 HN ILE 3 -5.048 -7.366 1.976 19 HA ILE 3 HA ILE 3 -5.431 -8.343 -0.808 20 HB ILE 3 HB ILE 3 -4.664 -6.137 -1.519 21 HG12 ILE 3 2HG1 ILE 3 -4.840 -4.357 0.473 22 HG13 ILE 3 3HG1 ILE 3 -4.197 -5.658 1.432 23 HG21 ILE 3 1HG2 ILE 3 -6.872 -5.944 0.560 24 HG22 ILE 3 2HG2 ILE 3 -6.625 -4.869 -0.804 25 HG23 ILE 3 3HG2 ILE 3 -7.060 -6.552 -1.102 26 HD11 ILE 3 3HD1 ILE 3 -2.215 -5.740 0.010 27 HD12 ILE 3 1HD1 ILE 3 -2.933 -4.547 -1.114 28 HD13 ILE 3 2HD1 ILE 3 -2.486 -4.072 0.531 29 H PHE 4 HN PHE 4 -3.255 -7.626 -2.100 30 HA PHE 4 HA PHE 4 -1.006 -9.064 -0.797 31 HD1 PHE 4 HD2 PHE 4 -1.483 -11.319 -1.062 32 HD2 PHE 4 HD1 PHE 4 -2.975 -10.065 -4.930 33 HE1 PHE 4 HE2 PHE 4 -2.786 -13.395 -1.228 34 HE2 PHE 4 HE1 PHE 4 -4.320 -12.128 -5.058 35 HZ PHE 4 HZ PHE 4 -4.231 -13.814 -3.215 36 HB2 PHE 4 2HB PHE 4 -1.542 -8.663 -3.761 37 HB3 PHE 4 3HB PHE 4 -0.245 -9.585 -3.057 38 H VAL 5 HN VAL 5 1.056 -8.158 -1.261 39 HA VAL 5 HA VAL 5 1.162 -5.477 -2.494 40 HB VAL 5 HB VAL 5 1.720 -6.353 0.293 41 HG11 VAL 5 1HG1 VAL 5 3.659 -4.391 -0.967 42 HG12 VAL 5 2HG1 VAL 5 3.519 -4.791 0.754 43 HG13 VAL 5 3HG1 VAL 5 4.051 -6.006 -0.396 44 HG21 VAL 5 3HG2 VAL 5 -0.071 -4.796 -0.246 45 HG22 VAL 5 1HG2 VAL 5 1.122 -4.105 0.860 46 HG23 VAL 5 2HG2 VAL 5 1.116 -3.629 -0.849 47 H LYS 6 HN LYS 6 3.489 -5.064 -3.151 48 HA LYS 6 HA LYS 6 4.953 -7.524 -3.921 49 HB2 LYS 6 2HB LYS 6 4.257 -5.147 -5.722 50 HB3 LYS 6 3HB LYS 6 5.402 -6.431 -6.096 51 HG2 LYS 6 2HG LYS 6 3.478 -8.086 -5.935 52 HG3 LYS 6 3HG LYS 6 2.387 -6.697 -5.731 53 HD2 LYS 6 2HD LYS 6 2.358 -7.278 -8.045 54 HD3 LYS 6 3HD LYS 6 3.255 -5.762 -7.902 55 HE2 LYS 6 2HE LYS 6 5.398 -7.256 -7.895 56 HE3 LYS 6 3HE LYS 6 4.336 -8.573 -8.396 57 HZ1 LYS 6 3HZ LYS 6 5.310 -7.573 -10.290 58 HZ2 LYS 6 1HZ LYS 6 3.719 -7.182 -10.310 59 HZ3 LYS 6 2HZ LYS 6 4.891 -6.061 -9.857 60 H THR 7 HN THR 7 7.115 -7.220 -3.437 61 HA THR 7 HA THR 7 8.094 -4.474 -3.266 62 HB THR 7 HB THR 7 9.235 -4.969 -1.135 63 HG1 THR 7 HG1 THR 7 9.046 -6.782 -0.159 64 HG21 THR 7 3HG2 THR 7 7.137 -3.752 -0.968 65 HG22 THR 7 1HG2 THR 7 6.210 -5.266 -0.944 66 HG23 THR 7 2HG2 THR 7 7.292 -4.877 0.390 67 H LEU 8 HN LEU 8 10.471 -4.434 -3.219 68 HA LEU 8 HA LEU 8 11.700 -6.569 -4.855 69 HG LEU 8 HG LEU 8 12.826 -3.397 -6.368 70 HB2 LEU 8 2HB LEU 8 12.404 -3.739 -4.055 71 HB3 LEU 8 3HB LEU 8 13.696 -4.801 -4.559 72 HD11 LEU 8 1HD1 LEU 8 12.817 -5.109 -8.087 73 HD12 LEU 8 2HD1 LEU 8 13.980 -5.536 -6.835 74 HD13 LEU 8 3HD1 LEU 8 12.412 -6.369 -6.908 75 HD21 LEU 8 3HD2 LEU 8 10.728 -3.788 -7.478 76 HD22 LEU 8 1HD2 LEU 8 10.303 -5.086 -6.356 77 HD23 LEU 8 2HD2 LEU 8 10.408 -3.410 -5.773 78 H THR 9 HN THR 9 10.947 -6.706 -1.775 79 HA THR 9 HA THR 9 13.610 -7.450 -0.740 80 HB THR 9 HB THR 9 12.342 -6.984 1.436 81 HG1 THR 9 HG1 THR 9 10.628 -5.594 1.260 82 HG21 THR 9 3HG2 THR 9 14.018 -5.472 0.373 83 HG22 THR 9 1HG2 THR 9 12.702 -4.642 -0.492 84 HG23 THR 9 2HG2 THR 9 12.786 -4.590 1.280 85 H GLY 10 HN GLY 10 10.524 -8.920 -1.545 86 HA2 GLY 10 1HA GLY 10 11.238 -11.475 -0.461 87 HA3 GLY 10 2HA GLY 10 10.074 -10.603 0.567 88 H LYS 11 HN LYS 11 8.755 -12.568 -0.159 89 HA LYS 11 HA LYS 11 7.617 -12.431 -2.871 90 HB2 LYS 11 2HB LYS 11 7.939 -14.554 -1.193 91 HB3 LYS 11 3HB LYS 11 6.322 -14.069 -0.698 92 HG2 LYS 11 2HG LYS 11 5.632 -14.183 -3.159 93 HG3 LYS 11 3HG LYS 11 7.268 -14.741 -3.529 94 HD2 LYS 11 2HD LYS 11 6.879 -16.689 -1.955 95 HD3 LYS 11 3HD LYS 11 5.225 -16.111 -1.725 96 HE2 LYS 11 2HE LYS 11 5.201 -17.893 -3.342 97 HE3 LYS 11 3HE LYS 11 4.773 -16.391 -4.159 98 HZ1 LYS 11 3HZ LYS 11 7.552 -17.417 -4.185 99 HZ2 LYS 11 1HZ LYS 11 6.446 -17.919 -5.276 100 HZ3 LYS 11 2HZ LYS 11 6.834 -16.337 -5.215 101 H THR 12 HN THR 12 4.922 -12.716 -2.507 102 HA THR 12 HA THR 12 3.753 -10.295 -2.037 103 HB THR 12 HB THR 12 2.785 -13.154 -1.602 104 HG1 THR 12 HG1 THR 12 2.421 -11.341 -3.758 105 HG21 THR 12 3HG2 THR 12 1.162 -11.859 -0.441 106 HG22 THR 12 1HG2 THR 12 1.155 -10.604 -1.692 107 HG23 THR 12 2HG2 THR 12 0.487 -12.229 -2.031 108 H ILE 13 HN ILE 13 3.748 -9.018 -0.251 109 HA ILE 13 HA ILE 13 3.504 -10.101 2.473 110 HB ILE 13 HB ILE 13 3.299 -7.405 1.181 111 HG12 ILE 13 2HG1 ILE 13 5.562 -8.364 1.680 112 HG13 ILE 13 3HG1 ILE 13 5.222 -6.756 2.299 113 HG21 ILE 13 1HG2 ILE 13 1.572 -7.236 2.826 114 HG22 ILE 13 2HG2 ILE 13 2.601 -7.969 4.072 115 HG23 ILE 13 3HG2 ILE 13 2.980 -6.355 3.426 116 HD11 ILE 13 3HD1 ILE 13 5.079 -9.294 3.979 117 HD12 ILE 13 1HD1 ILE 13 6.449 -8.171 3.915 118 HD13 ILE 13 2HD1 ILE 13 4.906 -7.619 4.564 119 H THR 14 HN THR 14 1.596 -10.870 3.271 120 HA THR 14 HA THR 14 -0.989 -10.244 1.961 121 HB THR 14 HB THR 14 -0.288 -11.877 4.441 122 HG1 THR 14 HG1 THR 14 0.177 -13.023 2.596 123 HG21 THR 14 3HG2 THR 14 -2.531 -10.848 4.706 124 HG22 THR 14 1HG2 THR 14 -2.984 -11.458 3.094 125 HG23 THR 14 2HG2 THR 14 -2.646 -12.587 4.421 126 H LEU 15 HN LEU 15 -2.241 -8.537 2.696 127 HA LEU 15 HA LEU 15 -1.209 -6.921 4.977 128 HG LEU 15 HG LEU 15 -0.469 -4.082 2.704 129 HB2 LEU 15 2HB LEU 15 -0.515 -6.346 2.528 130 HB3 LEU 15 3HB LEU 15 -2.172 -5.881 2.294 131 HD11 LEU 15 1HD1 LEU 15 -2.834 -3.611 2.919 132 HD12 LEU 15 2HD1 LEU 15 -2.796 -4.035 4.651 133 HD13 LEU 15 3HD1 LEU 15 -1.871 -2.651 4.022 134 HD21 LEU 15 3HD2 LEU 15 -0.592 -4.888 5.631 135 HD22 LEU 15 1HD2 LEU 15 0.751 -5.292 4.527 136 HD23 LEU 15 2HD2 LEU 15 0.370 -3.610 4.884 137 H GLU 16 HN GLU 16 -2.875 -6.166 6.338 138 HA GLU 16 HA GLU 16 -5.557 -7.195 5.636 139 HB2 GLU 16 2HB GLU 16 -4.368 -8.302 7.411 140 HB3 GLU 16 3HB GLU 16 -4.149 -6.795 8.284 141 HG2 GLU 16 2HG GLU 16 -6.994 -7.456 7.594 142 HG3 GLU 16 3HG GLU 16 -6.187 -8.616 8.644 143 H VAL 17 HN VAL 17 -6.649 -5.566 4.715 144 HA VAL 17 HA VAL 17 -6.981 -3.047 6.169 145 HB VAL 17 HB VAL 17 -5.176 -2.514 4.797 146 HG11 VAL 17 1HG1 VAL 17 -6.434 -3.978 2.476 147 HG12 VAL 17 2HG1 VAL 17 -4.974 -2.975 2.385 148 HG13 VAL 17 3HG1 VAL 17 -4.972 -4.447 3.361 149 HG21 VAL 17 3HG2 VAL 17 -7.495 -1.722 3.038 150 HG22 VAL 17 1HG2 VAL 17 -6.970 -0.844 4.494 151 HG23 VAL 17 2HG2 VAL 17 -5.908 -0.991 3.084 152 H GLU 18 HN GLU 18 -8.703 -1.793 4.672 153 HA GLU 18 HA GLU 18 -10.842 -3.575 3.947 154 HB2 GLU 18 2HB GLU 18 -12.307 -2.533 5.707 155 HB3 GLU 18 3HB GLU 18 -11.088 -3.636 6.262 156 HG2 GLU 18 2HG GLU 18 -11.094 -1.977 7.875 157 HG3 GLU 18 3HG GLU 18 -9.665 -1.572 6.919 158 HA PRO 19 HA PRO 19 -11.455 -0.075 1.333 159 HB2 PRO 19 2HB PRO 19 -13.954 -0.492 0.384 160 HB3 PRO 19 3HB PRO 19 -12.712 -1.757 0.271 161 HG2 PRO 19 2HG PRO 19 -14.785 -1.467 2.491 162 HG3 PRO 19 3HG PRO 19 -14.529 -2.880 1.417 163 HD2 PRO 19 2HD PRO 19 -13.339 -2.720 3.835 164 HD3 PRO 19 3HD PRO 19 -12.450 -3.372 2.429 165 H SER 20 HN SER 20 -11.782 0.925 4.149 166 HA SER 20 HA SER 20 -13.354 3.273 3.323 167 HG SER 20 HG SER 20 -16.080 1.937 4.872 168 HB2 SER 20 2HB SER 20 -13.857 2.013 6.029 169 HB3 SER 20 3HB SER 20 -14.615 3.453 5.341 170 H ASP 21 HN ASP 21 -10.596 1.961 4.900 171 HA ASP 21 HA ASP 21 -9.924 4.191 6.430 172 HB2 ASP 21 2HB ASP 21 -8.081 3.132 7.089 173 HB3 ASP 21 3HB ASP 21 -9.177 1.829 6.782 174 H THR 22 HN THR 22 -7.069 4.525 5.525 175 HA THR 22 HA THR 22 -7.580 6.665 3.543 176 HB THR 22 HB THR 22 -6.229 8.122 5.249 177 HG1 THR 22 HG1 THR 22 -7.474 6.219 6.942 178 HG21 THR 22 3HG2 THR 22 -8.519 8.644 4.532 179 HG22 THR 22 1HG2 THR 22 -9.177 7.502 5.719 180 HG23 THR 22 2HG2 THR 22 -8.309 8.961 6.257 181 H ILE 23 HN ILE 23 -5.447 7.598 2.724 182 HA ILE 23 HA ILE 23 -3.985 5.226 1.984 183 HB ILE 23 HB ILE 23 -3.947 8.083 1.145 184 HG12 ILE 23 2HG1 ILE 23 -4.388 7.211 -1.007 185 HG13 ILE 23 3HG1 ILE 23 -4.225 5.536 -0.402 186 HG21 ILE 23 1HG2 ILE 23 -1.788 6.106 0.382 187 HG22 ILE 23 2HG2 ILE 23 -2.064 7.697 -0.394 188 HG23 ILE 23 3HG2 ILE 23 -1.566 7.616 1.281 189 HD11 ILE 23 3HD1 ILE 23 -6.285 5.879 0.907 190 HD12 ILE 23 1HD1 ILE 23 -6.393 7.548 0.310 191 HD13 ILE 23 2HD1 ILE 23 -6.550 6.178 -0.823 192 H GLU 24 HN GLU 24 -3.167 8.107 3.948 193 HA GLU 24 HA GLU 24 -0.679 7.477 4.951 194 HB2 GLU 24 2HB GLU 24 -3.156 8.562 6.326 195 HB3 GLU 24 3HB GLU 24 -1.644 8.278 7.179 196 HG2 GLU 24 2HG GLU 24 -0.560 9.697 5.252 197 HG3 GLU 24 3HG GLU 24 -2.214 10.328 5.079 198 H ASN 25 HN ASN 25 -3.793 6.025 6.046 199 HA ASN 25 HA ASN 25 -2.576 4.522 8.133 200 HB2 ASN 25 2HB ASN 25 -5.105 5.063 7.605 201 HB3 ASN 25 3HB ASN 25 -5.083 3.528 6.738 202 HD21 ASN 25 1HD2 ASN 25 -3.005 2.429 8.880 203 HD22 ASN 25 2HD2 ASN 25 -3.963 2.426 10.354 204 H VAL 26 HN VAL 26 -3.160 3.738 4.693 205 HA VAL 26 HA VAL 26 -2.474 0.931 5.144 206 HB VAL 26 HB VAL 26 -3.079 2.454 2.610 207 HG11 VAL 26 1HG1 VAL 26 -3.269 0.186 1.540 208 HG12 VAL 26 2HG1 VAL 26 -1.609 0.608 1.934 209 HG13 VAL 26 3HG1 VAL 26 -2.484 -0.538 2.963 210 HG21 VAL 26 3HG2 VAL 26 -4.815 1.926 4.355 211 HG22 VAL 26 1HG2 VAL 26 -5.070 1.018 2.865 212 HG23 VAL 26 2HG2 VAL 26 -4.365 0.230 4.279 213 H LYS 27 HN LYS 27 -0.814 3.796 3.762 214 HA LYS 27 HA LYS 27 1.566 2.283 3.179 215 HB2 LYS 27 2HB LYS 27 2.706 4.322 3.097 216 HB3 LYS 27 3HB LYS 27 1.151 4.590 2.330 217 HG2 LYS 27 2HG LYS 27 0.348 5.844 4.129 218 HG3 LYS 27 3HG LYS 27 1.651 5.352 5.212 219 HD2 LYS 27 2HD LYS 27 1.967 7.600 4.623 220 HD3 LYS 27 3HD LYS 27 3.272 6.626 3.930 221 HE2 LYS 27 2HE LYS 27 2.199 6.745 1.718 222 HE3 LYS 27 3HE LYS 27 0.814 7.622 2.412 223 HZ1 LYS 27 3HZ LYS 27 3.592 8.660 2.499 224 HZ2 LYS 27 1HZ LYS 27 2.518 9.062 1.352 225 HZ3 LYS 27 2HZ LYS 27 2.208 9.457 2.904 226 H ALA 28 HN ALA 28 0.376 3.748 6.234 227 HA ALA 28 HA ALA 28 2.621 3.040 7.792 228 HB1 ALA 28 1HB ALA 28 1.143 3.332 9.663 229 HB2 ALA 28 2HB ALA 28 0.772 4.570 8.450 230 HB3 ALA 28 3HB ALA 28 -0.293 3.163 8.653 231 H LYS 29 HN LYS 29 -0.162 1.124 6.791 232 HA LYS 29 HA LYS 29 0.111 -1.140 8.505 233 HB2 LYS 29 2HB LYS 29 -1.484 -0.286 6.397 234 HB3 LYS 29 3HB LYS 29 -0.717 -1.680 5.689 235 HG2 LYS 29 2HG LYS 29 -1.785 -3.141 7.171 236 HG3 LYS 29 3HG LYS 29 -2.046 -1.900 8.408 237 HD2 LYS 29 2HD LYS 29 -3.310 -1.785 5.634 238 HD3 LYS 29 3HD LYS 29 -4.087 -2.540 7.014 239 HE2 LYS 29 2HE LYS 29 -3.401 0.397 6.755 240 HE3 LYS 29 3HE LYS 29 -5.002 -0.324 6.664 241 HZ1 LYS 29 3HZ LYS 29 -4.709 -1.019 8.992 242 HZ2 LYS 29 1HZ LYS 29 -3.245 -0.238 9.046 243 HZ3 LYS 29 2HZ LYS 29 -4.616 0.603 8.817 244 H ILE 30 HN ILE 30 1.411 -0.466 5.225 245 HA ILE 30 HA ILE 30 2.993 -2.875 5.286 246 HB ILE 30 HB ILE 30 4.164 -1.169 3.362 247 HG12 ILE 30 2HG1 ILE 30 2.119 0.289 3.522 248 HG13 ILE 30 3HG1 ILE 30 2.594 -0.342 1.961 249 HG21 ILE 30 1HG2 ILE 30 3.906 -3.551 3.243 250 HG22 ILE 30 2HG2 ILE 30 2.138 -3.439 3.187 251 HG23 ILE 30 3HG2 ILE 30 3.135 -2.811 1.844 252 HD11 ILE 30 3HD1 ILE 30 0.320 -1.519 3.612 253 HD12 ILE 30 1HD1 ILE 30 0.169 -0.380 2.257 254 HD13 ILE 30 2HD1 ILE 30 0.791 -1.980 1.965 255 H GLN 31 HN GLN 31 3.667 0.502 6.002 256 HA GLN 31 HA GLN 31 6.386 0.602 6.273 257 HB2 GLN 31 2HB GLN 31 4.637 2.411 6.944 258 HB3 GLN 31 3HB GLN 31 4.415 1.501 8.410 259 HG2 GLN 31 2HG GLN 31 6.962 1.849 8.805 260 HG3 GLN 31 3HG GLN 31 6.799 3.088 7.549 261 HE21 GLN 31 1HE2 GLN 31 5.511 2.004 10.727 262 HE22 GLN 31 2HE2 GLN 31 4.764 3.523 11.145 263 H ASP 32 HN ASP 32 4.073 -0.657 8.569 264 HA ASP 32 HA ASP 32 5.974 -1.578 10.517 265 HB2 ASP 32 2HB ASP 32 3.621 -0.625 10.837 266 HB3 ASP 32 3HB ASP 32 2.989 -2.167 10.260 267 H LYS 33 HN LYS 33 3.782 -3.217 8.161 268 HA LYS 33 HA LYS 33 4.480 -5.874 8.906 269 HB2 LYS 33 2HB LYS 33 3.378 -4.678 6.330 270 HB3 LYS 33 3HB LYS 33 3.720 -6.384 6.442 271 HG2 LYS 33 2HG LYS 33 1.686 -4.918 8.154 272 HG3 LYS 33 3HG LYS 33 1.388 -5.986 6.779 273 HD2 LYS 33 2HD LYS 33 2.832 -7.713 8.269 274 HD3 LYS 33 3HD LYS 33 2.272 -6.657 9.563 275 HE2 LYS 33 2HE LYS 33 0.529 -8.121 9.558 276 HE3 LYS 33 3HE LYS 33 -0.101 -6.988 8.364 277 HZ1 LYS 33 3HZ LYS 33 1.324 -9.536 7.865 278 HZ2 LYS 33 1HZ LYS 33 -0.244 -9.304 7.604 279 HZ3 LYS 33 2HZ LYS 33 0.834 -8.554 6.627 280 H GLU 34 HN GLU 34 6.428 -3.642 7.086 281 HA GLU 34 HA GLU 34 8.162 -5.898 6.195 282 HB2 GLU 34 2HB GLU 34 6.435 -4.889 4.511 283 HB3 GLU 34 3HB GLU 34 7.530 -3.523 4.419 284 HG2 GLU 34 2HG GLU 34 8.808 -6.218 4.074 285 HG3 GLU 34 3HG GLU 34 7.571 -5.839 2.889 286 H GLY 35 HN GLY 35 8.203 -3.610 8.351 287 HA2 GLY 35 1HA GLY 35 9.816 -2.350 9.375 288 HA3 GLY 35 2HA GLY 35 10.959 -3.441 8.568 289 H ILE 36 HN ILE 36 8.764 -1.082 7.074 290 HA ILE 36 HA ILE 36 11.123 0.001 5.629 291 HB ILE 36 HB ILE 36 9.812 -1.586 4.400 292 HG12 ILE 36 2HG1 ILE 36 11.049 -0.313 3.022 293 HG13 ILE 36 3HG1 ILE 36 9.449 -0.174 2.325 294 HG21 ILE 36 1HG2 ILE 36 7.512 0.333 4.388 295 HG22 ILE 36 2HG2 ILE 36 7.673 -1.191 3.539 296 HG23 ILE 36 3HG2 ILE 36 7.615 -1.183 5.303 297 HD11 ILE 36 3HD1 ILE 36 11.035 1.906 3.864 298 HD12 ILE 36 1HD1 ILE 36 10.456 1.968 2.200 299 HD13 ILE 36 2HD1 ILE 36 9.301 2.087 3.542 300 HA PRO 37 HA PRO 37 9.243 3.359 8.026 301 HB2 PRO 37 2HB PRO 37 11.420 5.047 8.063 302 HB3 PRO 37 3HB PRO 37 11.257 3.620 9.136 303 HG2 PRO 37 2HG PRO 37 12.734 3.801 6.492 304 HG3 PRO 37 3HG PRO 37 13.343 3.142 8.042 305 HD2 PRO 37 2HD PRO 37 12.340 1.543 6.122 306 HD3 PRO 37 3HD PRO 37 11.994 1.201 7.847 307 HA PRO 38 HA PRO 38 8.133 5.821 4.500 308 HB2 PRO 38 2HB PRO 38 7.117 8.071 5.607 309 HB3 PRO 38 3HB PRO 38 6.349 6.470 5.798 310 HG2 PRO 38 2HG PRO 38 8.150 7.909 7.763 311 HG3 PRO 38 3HG PRO 38 6.614 7.039 8.074 312 HD2 PRO 38 2HD PRO 38 9.131 5.947 8.429 313 HD3 PRO 38 3HD PRO 38 7.687 4.980 8.048 314 H ASP 39 HN ASP 39 10.404 5.778 4.012 315 HA ASP 39 HA ASP 39 11.140 8.556 3.318 316 HB2 ASP 39 2HB ASP 39 12.718 7.656 5.173 317 HB3 ASP 39 3HB ASP 39 13.392 6.613 3.915 318 H GLN 40 HN GLN 40 11.336 5.071 2.742 319 HA GLN 40 HA GLN 40 11.431 5.546 -0.192 320 HB2 GLN 40 2HB GLN 40 12.761 3.442 1.538 321 HB3 GLN 40 3HB GLN 40 12.351 3.058 -0.124 322 HG2 GLN 40 2HG GLN 40 14.110 5.371 0.711 323 HG3 GLN 40 3HG GLN 40 14.657 3.822 0.069 324 HE21 GLN 40 1HE2 GLN 40 14.556 6.835 -0.908 325 HE22 GLN 40 2HE2 GLN 40 14.201 6.644 -2.611 326 H GLN 41 HN GLN 41 8.973 5.635 1.465 327 HA GLN 41 HA GLN 41 7.747 3.106 0.493 328 HB2 GLN 41 2HB GLN 41 7.938 3.724 3.177 329 HB3 GLN 41 3HB GLN 41 6.348 4.353 2.763 330 HG2 GLN 41 2HG GLN 41 6.203 2.011 1.404 331 HG3 GLN 41 3HG GLN 41 7.373 1.510 2.593 332 HE21 GLN 41 1HE2 GLN 41 6.554 2.473 5.004 333 HE22 GLN 41 2HE2 GLN 41 4.795 2.290 5.194 334 H ARG 42 HN ARG 42 6.379 3.358 -1.062 335 HA ARG 42 HA ARG 42 5.034 5.992 -1.443 336 HE ARG 42 HE ARG 42 6.673 8.243 -2.357 337 HB2 ARG 42 2HB ARG 42 7.297 5.663 -2.457 338 HB3 ARG 42 3HB ARG 42 6.649 4.373 -3.460 339 HG2 ARG 42 2HG ARG 42 5.822 5.846 -4.944 340 HG3 ARG 42 3HG ARG 42 5.093 6.867 -3.702 341 HD2 ARG 42 2HD ARG 42 8.045 6.853 -4.490 342 HD3 ARG 42 3HD ARG 42 6.841 7.982 -5.134 343 HH11 ARG 42 2HH2 ARG 42 9.283 8.696 -4.756 344 HH12 ARG 42 1HH2 ARG 42 9.977 10.028 -3.878 345 HH21 ARG 42 2HH1 ARG 42 7.647 9.859 -1.207 346 HH22 ARG 42 1HH1 ARG 42 9.014 10.734 -1.773 347 H LEU 43 HN LEU 43 2.921 5.262 -1.033 348 HA LEU 43 HA LEU 43 1.993 2.684 -2.085 349 HG LEU 43 HG LEU 43 0.035 3.346 1.069 350 HB2 LEU 43 2HB LEU 43 0.882 4.875 -0.341 351 HB3 LEU 43 3HB LEU 43 -0.300 4.114 -1.343 352 HD11 LEU 43 1HD1 LEU 43 -0.411 0.874 0.031 353 HD12 LEU 43 2HD1 LEU 43 -1.580 2.167 0.298 354 HD13 LEU 43 3HD1 LEU 43 -0.901 1.964 -1.298 355 HD21 LEU 43 3HD2 LEU 43 1.507 1.432 1.338 356 HD22 LEU 43 1HD2 LEU 43 2.183 1.644 -0.254 357 HD23 LEU 43 2HD2 LEU 43 2.451 2.888 0.978 358 H ILE 44 HN ILE 44 0.046 2.612 -3.497 359 HA ILE 44 HA ILE 44 -0.573 4.789 -5.188 360 HB ILE 44 HB ILE 44 1.593 3.779 -6.128 361 HG12 ILE 44 2HG1 ILE 44 0.780 3.812 -8.510 362 HG13 ILE 44 3HG1 ILE 44 -0.842 4.113 -7.866 363 HG21 ILE 44 1HG2 ILE 44 1.133 1.438 -5.752 364 HG22 ILE 44 2HG2 ILE 44 -0.108 1.479 -7.043 365 HG23 ILE 44 3HG2 ILE 44 1.608 1.834 -7.391 366 HD11 ILE 44 3HD1 ILE 44 0.034 6.150 -6.692 367 HD12 ILE 44 1HD1 ILE 44 1.666 5.783 -7.277 368 HD13 ILE 44 2HD1 ILE 44 0.385 6.214 -8.416 369 H PHE 45 HN PHE 45 -2.489 3.879 -6.646 370 HA PHE 45 HA PHE 45 -3.426 1.207 -5.945 371 HD1 PHE 45 HD2 PHE 45 -3.420 3.440 -3.160 372 HD2 PHE 45 HD1 PHE 45 -6.499 0.734 -4.430 373 HE1 PHE 45 HE2 PHE 45 -3.413 2.387 -0.925 374 HE2 PHE 45 HE1 PHE 45 -6.336 -0.458 -2.263 375 HZ PHE 45 HZ PHE 45 -4.824 0.419 -0.479 376 HB2 PHE 45 2HB PHE 45 -4.977 3.762 -5.359 377 HB3 PHE 45 3HB PHE 45 -5.812 2.323 -5.892 378 H ALA 46 HN ALA 46 -4.513 0.426 -7.796 379 HA ALA 46 HA ALA 46 -4.703 0.222 -10.079 380 HB1 ALA 46 1HB ALA 46 -6.870 0.729 -9.044 381 HB2 ALA 46 2HB ALA 46 -6.629 2.459 -9.384 382 HB3 ALA 46 3HB ALA 46 -6.785 1.297 -10.718 383 H GLY 47 HN GLY 47 -2.312 1.748 -9.917 384 HA2 GLY 47 1HA GLY 47 -0.984 3.130 -11.155 385 HA3 GLY 47 2HA GLY 47 -2.153 2.934 -12.463 386 H LYS 48 HN LYS 48 -3.142 4.445 -9.473 387 HA LYS 48 HA LYS 48 -3.947 6.915 -10.848 388 HB2 LYS 48 2HB LYS 48 -5.400 5.231 -9.443 389 HB3 LYS 48 3HB LYS 48 -4.512 5.824 -8.059 390 HG2 LYS 48 2HG LYS 48 -5.440 8.198 -8.960 391 HG3 LYS 48 3HG LYS 48 -6.661 7.116 -9.663 392 HD2 LYS 48 2HD LYS 48 -6.877 6.056 -7.320 393 HD3 LYS 48 3HD LYS 48 -5.765 7.357 -6.775 394 HE2 LYS 48 2HE LYS 48 -8.126 7.949 -6.331 395 HE3 LYS 48 3HE LYS 48 -7.374 9.087 -7.456 396 HZ1 LYS 48 3HZ LYS 48 -9.724 7.954 -7.844 397 HZ2 LYS 48 1HZ LYS 48 -8.726 8.324 -9.114 398 HZ3 LYS 48 2HZ LYS 48 -8.831 6.790 -8.535 399 H GLN 49 HN GLN 49 -3.347 8.953 -10.026 400 HA GLN 49 HA GLN 49 -1.008 9.474 -8.627 401 HB2 GLN 49 2HB GLN 49 -2.020 10.807 -10.328 402 HB3 GLN 49 3HB GLN 49 -3.439 11.137 -9.380 403 HG2 GLN 49 2HG GLN 49 -0.739 12.056 -8.355 404 HG3 GLN 49 3HG GLN 49 -1.441 12.869 -9.748 405 HE21 GLN 49 1HE2 GLN 49 -1.155 14.661 -7.953 406 HE22 GLN 49 2HE2 GLN 49 -2.629 14.997 -7.074 407 H LEU 50 HN LEU 50 -3.283 8.034 -7.041 408 HA LEU 50 HA LEU 50 -4.269 8.026 -4.954 409 HG LEU 50 HG LEU 50 -2.772 7.565 -2.463 410 HB2 LEU 50 2HB LEU 50 -2.251 6.567 -5.308 411 HB3 LEU 50 3HB LEU 50 -1.277 7.789 -4.472 412 HD11 LEU 50 1HD1 LEU 50 -4.128 5.568 -4.282 413 HD12 LEU 50 2HD1 LEU 50 -4.226 5.361 -2.538 414 HD13 LEU 50 3HD1 LEU 50 -4.826 6.844 -3.217 415 HD21 LEU 50 3HD2 LEU 50 -1.739 4.899 -3.369 416 HD22 LEU 50 1HD2 LEU 50 -0.732 6.199 -2.668 417 HD23 LEU 50 2HD2 LEU 50 -2.029 5.428 -1.724 418 H GLU 51 HN GLU 51 -5.210 10.044 -4.489 419 HA GLU 51 HA GLU 51 -3.578 12.224 -3.835 420 HB2 GLU 51 2HB GLU 51 -5.969 12.169 -4.883 421 HB3 GLU 51 3HB GLU 51 -6.535 12.191 -3.209 422 HG2 GLU 51 2HG GLU 51 -4.652 14.257 -3.193 423 HG3 GLU 51 3HG GLU 51 -5.207 14.319 -4.848 424 H ASP 52 HN ASP 52 -5.031 9.918 -1.669 425 HA ASP 52 HA ASP 52 -5.070 9.618 0.554 426 HB2 ASP 52 2HB ASP 52 -2.588 10.250 0.182 427 HB3 ASP 52 3HB ASP 52 -2.985 11.782 0.938 428 H GLY 53 HN GLY 53 -5.752 12.850 -0.503 429 HA2 GLY 53 1HA GLY 53 -7.175 13.565 1.946 430 HA3 GLY 53 2HA GLY 53 -7.220 14.426 0.402 431 H ARG 54 HN ARG 54 -8.112 11.076 1.537 432 HA ARG 54 HA ARG 54 -10.732 11.326 0.238 433 HE ARG 54 HE ARG 54 -12.103 9.114 -4.044 434 HB2 ARG 54 2HB ARG 54 -8.305 10.737 -1.239 435 HB3 ARG 54 3HB ARG 54 -9.187 9.242 -1.128 436 HG2 ARG 54 2HG ARG 54 -10.375 11.865 -2.116 437 HG3 ARG 54 3HG ARG 54 -9.682 10.669 -3.149 438 HD2 ARG 54 2HD ARG 54 -11.310 8.970 -1.928 439 HD3 ARG 54 3HD ARG 54 -12.203 10.426 -1.470 440 HH11 ARG 54 2HH2 ARG 54 -12.508 12.363 -2.621 441 HH12 ARG 54 1HH2 ARG 54 -13.081 13.070 -4.072 442 HH21 ARG 54 2HH1 ARG 54 -13.159 9.840 -5.730 443 HH22 ARG 54 1HH1 ARG 54 -13.608 11.509 -5.972 444 H THR 55 HN THR 55 -12.170 9.700 0.767 445 HA THR 55 HA THR 55 -11.503 7.731 2.709 446 HB THR 55 HB THR 55 -13.964 7.642 0.938 447 HG1 THR 55 HG1 THR 55 -14.924 9.251 2.014 448 HG21 THR 55 3HG2 THR 55 -13.654 6.087 2.936 449 HG22 THR 55 1HG2 THR 55 -13.704 7.540 3.945 450 HG23 THR 55 2HG2 THR 55 -15.117 7.097 2.990 451 H LEU 56 HN LEU 56 -10.890 5.565 2.369 452 HA LEU 56 HA LEU 56 -10.572 4.396 -0.183 453 HG LEU 56 HG LEU 56 -8.646 2.754 2.464 454 HB2 LEU 56 2HB LEU 56 -10.751 3.444 2.614 455 HB3 LEU 56 3HB LEU 56 -11.034 2.226 1.423 456 HD11 LEU 56 1HD1 LEU 56 -9.234 0.867 1.079 457 HD12 LEU 56 2HD1 LEU 56 -9.206 1.921 -0.369 458 HD13 LEU 56 3HD1 LEU 56 -7.699 1.584 0.533 459 HD21 LEU 56 3HD2 LEU 56 -8.376 5.003 1.564 460 HD22 LEU 56 1HD2 LEU 56 -7.229 3.895 0.810 461 HD23 LEU 56 2HD2 LEU 56 -8.589 4.391 -0.115 462 H SER 57 HN SER 57 -13.491 4.902 1.492 463 HA SER 57 HA SER 57 -15.116 2.914 0.306 464 HG SER 57 HG SER 57 -17.796 5.095 1.385 465 HB2 SER 57 2HB SER 57 -15.844 4.315 2.142 466 HB3 SER 57 3HB SER 57 -15.632 5.780 1.175 467 H ASP 58 HN ASP 58 -13.480 5.644 -1.168 468 HA ASP 58 HA ASP 58 -15.110 5.451 -3.647 469 HB2 ASP 58 2HB ASP 58 -14.447 7.662 -2.668 470 HB3 ASP 58 3HB ASP 58 -12.766 7.275 -2.996 471 H TYR 59 HN TYR 59 -11.734 5.143 -2.481 472 HA TYR 59 HA TYR 59 -10.602 4.411 -4.956 473 HD1 TYR 59 HD1 TYR 59 -10.289 6.671 -2.556 474 HD2 TYR 59 HD2 TYR 59 -7.152 4.309 -4.328 475 HE1 TYR 59 HE1 TYR 59 -9.156 8.710 -3.306 476 HE2 TYR 59 HE2 TYR 59 -6.002 6.348 -4.992 477 HH TYR 59 HH TYR 59 -7.481 9.542 -4.850 478 HB2 TYR 59 2HB TYR 59 -9.799 3.998 -2.074 479 HB3 TYR 59 3HB TYR 59 -8.903 3.223 -3.365 480 H ASN 60 HN ASN 60 -11.980 2.563 -2.426 481 HA ASN 60 HA ASN 60 -12.421 0.421 -2.042 482 HB2 ASN 60 2HB ASN 60 -14.617 0.342 -2.386 483 HB3 ASN 60 3HB ASN 60 -14.308 2.030 -2.736 484 HD21 ASN 60 1HD2 ASN 60 -14.064 2.591 -5.222 485 HD22 ASN 60 2HD2 ASN 60 -14.894 1.497 -6.315 486 H ILE 61 HN ILE 61 -11.937 -1.584 -2.342 487 HA ILE 61 HA ILE 61 -11.286 -2.629 -5.008 488 HB ILE 61 HB ILE 61 -9.023 -3.202 -3.968 489 HG12 ILE 61 2HG1 ILE 61 -9.653 -2.287 -1.652 490 HG13 ILE 61 3HG1 ILE 61 -8.079 -1.901 -2.289 491 HG21 ILE 61 1HG2 ILE 61 -7.995 -1.116 -4.795 492 HG22 ILE 61 2HG2 ILE 61 -9.150 -1.882 -5.898 493 HG23 ILE 61 3HG2 ILE 61 -9.627 -0.447 -5.007 494 HD11 ILE 61 3HD1 ILE 61 -9.280 0.401 -3.039 495 HD12 ILE 61 1HD1 ILE 61 -10.345 -0.056 -1.676 496 HD13 ILE 61 2HD1 ILE 61 -8.609 0.106 -1.456 497 H GLN 62 HN GLN 62 -10.001 -4.790 -4.417 498 HA GLN 62 HA GLN 62 -11.414 -6.474 -2.482 499 HB2 GLN 62 2HB GLN 62 -11.203 -7.320 -5.387 500 HB3 GLN 62 3HB GLN 62 -12.235 -7.960 -4.120 501 HG2 GLN 62 2HG GLN 62 -13.786 -6.841 -5.445 502 HG3 GLN 62 3HG GLN 62 -13.458 -5.596 -4.273 503 HE21 GLN 62 1HE2 GLN 62 -13.502 -3.641 -5.462 504 HE22 GLN 62 2HE2 GLN 62 -12.610 -3.358 -6.932 505 H LYS 63 HN LYS 63 -10.168 -8.855 -3.706 506 HA LYS 63 HA LYS 63 -7.420 -8.829 -3.175 507 HB2 LYS 63 2HB LYS 63 -8.840 -10.776 -3.640 508 HB3 LYS 63 3HB LYS 63 -8.996 -10.286 -5.326 509 HG2 LYS 63 2HG LYS 63 -6.602 -10.639 -5.708 510 HG3 LYS 63 3HG LYS 63 -6.336 -10.975 -3.986 511 HD2 LYS 63 2HD LYS 63 -8.284 -12.577 -5.680 512 HD3 LYS 63 3HD LYS 63 -6.572 -13.008 -5.600 513 HE2 LYS 63 2HE LYS 63 -6.688 -13.740 -3.420 514 HE3 LYS 63 3HE LYS 63 -7.926 -12.565 -2.966 515 HZ1 LYS 63 3HZ LYS 63 -8.695 -14.873 -3.020 516 HZ2 LYS 63 1HZ LYS 63 -9.582 -13.841 -3.943 517 HZ3 LYS 63 2HZ LYS 63 -8.562 -14.876 -4.681 518 H GLU 64 HN GLU 64 -9.019 -7.849 -6.233 519 HA GLU 64 HA GLU 64 -6.897 -7.211 -7.884 520 HB2 GLU 64 2HB GLU 64 -9.685 -6.212 -7.404 521 HB3 GLU 64 3HB GLU 64 -8.728 -5.316 -8.567 522 HG2 GLU 64 2HG GLU 64 -9.111 -8.319 -8.743 523 HG3 GLU 64 3HG GLU 64 -10.199 -7.163 -9.495 524 H SER 65 HN SER 65 -7.418 -5.663 -4.877 525 HA SER 65 HA SER 65 -6.649 -2.978 -5.303 526 HG SER 65 HG SER 65 -5.112 -2.434 -3.270 527 HB2 SER 65 2HB SER 65 -7.381 -3.885 -3.100 528 HB3 SER 65 3HB SER 65 -6.047 -4.979 -3.094 529 H THR 66 HN THR 66 -4.451 -5.458 -4.052 530 HA THR 66 HA THR 66 -2.169 -5.194 -3.983 531 HB THR 66 HB THR 66 -2.550 -7.248 -4.957 532 HG1 THR 66 HG1 THR 66 -0.720 -5.765 -6.495 533 HG21 THR 66 3HG2 THR 66 -2.989 -5.953 -7.668 534 HG22 THR 66 1HG2 THR 66 -2.861 -7.697 -7.350 535 HG23 THR 66 2HG2 THR 66 -4.203 -6.778 -6.667 536 H LEU 67 HN LEU 67 -2.067 -2.892 -3.855 537 HA LEU 67 HA LEU 67 -1.021 -1.515 -6.155 538 HG LEU 67 HG LEU 67 0.367 -1.963 -2.808 539 HB2 LEU 67 2HB LEU 67 -0.238 0.071 -4.677 540 HB3 LEU 67 3HB LEU 67 -1.814 -0.412 -4.095 541 HD11 LEU 67 1HD1 LEU 67 1.683 0.001 -3.199 542 HD12 LEU 67 2HD1 LEU 67 0.383 1.044 -2.666 543 HD13 LEU 67 3HD1 LEU 67 1.184 -0.012 -1.485 544 HD21 LEU 67 3HD2 LEU 67 -0.835 -1.330 -0.774 545 HD22 LEU 67 1HD2 LEU 67 -1.875 -0.233 -1.715 546 HD23 LEU 67 2HD2 LEU 67 -1.934 -1.975 -1.995 547 H HIS 68 HN HIS 68 1.389 -0.680 -5.782 548 HA HIS 68 HA HIS 68 3.193 -3.027 -5.720 549 HD1 HIS 68 HD1 HIS 68 0.504 -3.482 -8.123 550 HD2 HIS 68 HD2 HIS 68 1.947 0.406 -8.930 551 HE1 HIS 68 HE1 HIS 68 -1.424 -2.203 -9.073 552 HB2 HIS 68 2HB HIS 68 3.734 -1.201 -7.901 553 HB3 HIS 68 3HB HIS 68 3.375 -2.917 -7.964 554 H LEU 69 HN LEU 69 4.670 -2.458 -4.099 555 HA LEU 69 HA LEU 69 5.007 0.375 -3.430 556 HG LEU 69 HG LEU 69 5.565 -0.997 -0.060 557 HB2 LEU 69 2HB LEU 69 5.894 -2.210 -2.188 558 HB3 LEU 69 3HB LEU 69 6.944 -0.829 -1.975 559 HD11 LEU 69 1HD1 LEU 69 4.613 1.178 0.099 560 HD12 LEU 69 2HD1 LEU 69 6.059 1.298 -0.932 561 HD13 LEU 69 3HD1 LEU 69 4.423 1.324 -1.648 562 HD21 LEU 69 3HD2 LEU 69 3.701 -2.241 -0.839 563 HD22 LEU 69 1HD2 LEU 69 3.073 -0.720 -0.212 564 HD23 LEU 69 2HD2 LEU 69 3.230 -0.962 -1.973 565 H VAL 70 HN VAL 70 5.907 1.413 -4.987 566 HA VAL 70 HA VAL 70 8.246 0.519 -6.485 567 HB VAL 70 HB VAL 70 6.796 3.215 -6.228 568 HG11 VAL 70 1HG1 VAL 70 9.080 3.509 -7.103 569 HG12 VAL 70 2HG1 VAL 70 8.772 2.239 -8.306 570 HG13 VAL 70 3HG1 VAL 70 7.887 3.777 -8.383 571 HG21 VAL 70 3HG2 VAL 70 5.807 2.612 -8.459 572 HG22 VAL 70 1HG2 VAL 70 6.490 0.982 -8.286 573 HG23 VAL 70 2HG2 VAL 70 5.253 1.570 -7.153 574 H LEU 71 HN LEU 71 10.397 0.887 -5.740 575 HA LEU 71 HA LEU 71 11.018 3.129 -4.056 576 HG LEU 71 HG LEU 71 10.857 -0.559 -3.512 577 HB2 LEU 71 2HB LEU 71 12.053 1.899 -2.208 578 HB3 LEU 71 3HB LEU 71 10.325 1.658 -2.300 579 HD11 LEU 71 1HD1 LEU 71 13.285 -0.323 -3.906 580 HD12 LEU 71 2HD1 LEU 71 13.535 -0.116 -2.159 581 HD13 LEU 71 3HD1 LEU 71 12.963 -1.659 -2.806 582 HD21 LEU 71 3HD2 LEU 71 11.129 -1.668 -1.258 583 HD22 LEU 71 1HD2 LEU 71 11.509 -0.087 -0.571 584 HD23 LEU 71 2HD2 LEU 71 9.902 -0.379 -1.243 585 H ARG 72 HN ARG 72 13.513 2.893 -3.479 586 HA ARG 72 HA ARG 72 14.624 2.601 -6.228 587 HE ARG 72 HE ARG 72 16.608 6.905 -7.467 588 HB2 ARG 72 2HB ARG 72 13.776 4.850 -4.941 589 HB3 ARG 72 3HB ARG 72 15.461 4.875 -4.469 590 HG2 ARG 72 2HG ARG 72 14.376 4.726 -7.327 591 HG3 ARG 72 3HG ARG 72 14.898 6.184 -6.485 592 HD2 ARG 72 2HD ARG 72 17.136 4.682 -6.153 593 HD3 ARG 72 3HD ARG 72 16.537 3.971 -7.664 594 HH11 ARG 72 2HH2 ARG 72 18.575 4.097 -8.287 595 HH12 ARG 72 1HH2 ARG 72 19.614 4.936 -9.394 596 HH21 ARG 72 2HH1 ARG 72 18.070 8.080 -8.763 597 HH22 ARG 72 1HH1 ARG 72 19.534 7.303 -9.316 598 H LEU 73 HN LEU 73 16.001 3.387 -2.975 599 HA LEU 73 HA LEU 73 17.974 1.167 -3.283 600 HG LEU 73 HG LEU 73 20.184 1.873 -2.266 601 HB2 LEU 73 2HB LEU 73 17.784 3.600 -1.501 602 HB3 LEU 73 3HB LEU 73 18.315 2.125 -0.755 603 HD11 LEU 73 1HD1 LEU 73 20.773 3.673 -3.882 604 HD12 LEU 73 2HD1 LEU 73 19.279 2.823 -4.297 605 HD13 LEU 73 3HD1 LEU 73 19.186 4.424 -3.559 606 HD21 LEU 73 3HD2 LEU 73 19.996 4.689 -1.089 607 HD22 LEU 73 1HD2 LEU 73 20.551 3.230 -0.261 608 HD23 LEU 73 2HD2 LEU 73 21.513 3.862 -1.587 609 H ARG 74 HN ARG 74 17.768 -0.546 -1.845 610 HA ARG 74 HA ARG 74 15.158 -1.228 -0.930 611 HE ARG 74 HE ARG 74 17.994 -3.687 1.840 612 HB2 ARG 74 2HB ARG 74 17.080 -2.698 -1.822 613 HB3 ARG 74 3HB ARG 74 17.793 -2.548 -0.233 614 HG2 ARG 74 2HG ARG 74 15.185 -3.450 0.300 615 HG3 ARG 74 3HG ARG 74 15.603 -4.248 -1.203 616 HD2 ARG 74 2HD ARG 74 16.318 -5.743 0.530 617 HD3 ARG 74 3HD ARG 74 17.792 -4.994 -0.086 618 HH11 ARG 74 2HH2 ARG 74 15.220 -5.886 2.239 619 HH12 ARG 74 1HH2 ARG 74 14.579 -5.063 3.601 620 HH21 ARG 74 2HH1 ARG 74 17.295 -2.767 3.813 621 HH22 ARG 74 1HH1 ARG 74 15.863 -3.369 4.593 622 H GLY 75 HN GLY 75 16.907 1.127 0.483 623 HA2 GLY 75 1HA GLY 75 16.830 2.134 2.533 624 HA3 GLY 75 2HA GLY 75 15.417 1.125 2.845 625 H GLY 76 HN GLY 76 16.092 0.835 5.163 626 HA2 GLY 76 1HA GLY 76 17.623 -1.411 5.784 627 HA3 GLY 76 2HA GLY 76 18.714 -0.013 5.848 Start of MODEL 12 1 HA MET 1 HA MET 1 -10.721 -9.181 3.083 2 H1 MET 1 HN MET 1 -10.421 -9.253 5.496 3 HB2 MET 1 2HB MET 1 -11.905 -7.204 2.769 4 HB3 MET 1 3HB MET 1 -10.743 -6.205 3.616 5 HG2 MET 1 2HG MET 1 -9.115 -6.479 1.756 6 HG3 MET 1 3HG MET 1 -10.185 -7.645 0.998 7 HE1 MET 1 3HE MET 1 -9.728 -3.817 1.919 8 HE2 MET 1 1HE MET 1 -8.792 -4.312 0.496 9 HE3 MET 1 2HE MET 1 -10.144 -3.176 0.319 10 H GLN 2 HN GLN 2 -8.849 -9.318 1.692 11 HA GLN 2 HA GLN 2 -6.342 -8.335 2.819 12 HB2 GLN 2 2HB GLN 2 -5.190 -10.504 2.481 13 HB3 GLN 2 3HB GLN 2 -6.400 -10.502 3.744 14 HG2 GLN 2 2HG GLN 2 -7.774 -11.380 1.402 15 HG3 GLN 2 3HG GLN 2 -6.222 -12.202 1.422 16 HE21 GLN 2 1HE2 GLN 2 -7.285 -14.191 1.826 17 HE22 GLN 2 2HE2 GLN 2 -7.768 -14.621 3.448 18 H ILE 3 HN ILE 3 -4.595 -8.389 1.361 19 HA ILE 3 HA ILE 3 -5.193 -8.538 -1.460 20 HB ILE 3 HB ILE 3 -5.592 -6.510 -1.861 21 HG12 ILE 3 2HG1 ILE 3 -3.437 -5.642 -2.049 22 HG13 ILE 3 3HG1 ILE 3 -4.415 -4.460 -1.250 23 HG21 ILE 3 1HG2 ILE 3 -7.066 -6.356 -0.008 24 HG22 ILE 3 2HG2 ILE 3 -5.740 -5.923 1.100 25 HG23 ILE 3 3HG2 ILE 3 -6.287 -4.805 -0.144 26 HD11 ILE 3 3HD1 ILE 3 -3.439 -5.061 0.946 27 HD12 ILE 3 1HD1 ILE 3 -2.283 -6.103 0.064 28 HD13 ILE 3 2HD1 ILE 3 -2.311 -4.391 -0.259 29 H PHE 4 HN PHE 4 -2.988 -7.497 -2.553 30 HA PHE 4 HA PHE 4 -0.699 -8.830 -1.161 31 HD1 PHE 4 HD2 PHE 4 -1.504 -10.951 -1.234 32 HD2 PHE 4 HD1 PHE 4 -2.440 -10.136 -5.379 33 HE1 PHE 4 HE2 PHE 4 -2.867 -13.020 -1.342 34 HE2 PHE 4 HE1 PHE 4 -3.808 -12.186 -5.458 35 HZ PHE 4 HZ PHE 4 -4.020 -13.630 -3.444 36 HB2 PHE 4 2HB PHE 4 -1.277 -8.543 -4.126 37 HB3 PHE 4 3HB PHE 4 0.035 -9.437 -3.407 38 H VAL 5 HN VAL 5 1.454 -7.884 -1.828 39 HA VAL 5 HA VAL 5 1.327 -5.149 -2.979 40 HB VAL 5 HB VAL 5 2.078 -5.957 -0.216 41 HG11 VAL 5 1HG1 VAL 5 3.253 -3.795 0.128 42 HG12 VAL 5 2HG1 VAL 5 4.100 -5.006 -0.802 43 HG13 VAL 5 3HG1 VAL 5 3.320 -3.665 -1.655 44 HG21 VAL 5 3HG2 VAL 5 1.024 -3.557 0.225 45 HG22 VAL 5 1HG2 VAL 5 0.165 -4.021 -1.262 46 HG23 VAL 5 2HG2 VAL 5 0.104 -5.072 0.140 47 H LYS 6 HN LYS 6 2.635 -5.392 -4.708 48 HA LYS 6 HA LYS 6 4.863 -7.297 -4.726 49 HB2 LYS 6 2HB LYS 6 3.880 -5.233 -6.723 50 HB3 LYS 6 3HB LYS 6 5.314 -6.195 -6.984 51 HG2 LYS 6 2HG LYS 6 4.263 -8.021 -7.578 52 HG3 LYS 6 3HG LYS 6 2.953 -7.855 -6.439 53 HD2 LYS 6 2HD LYS 6 1.583 -6.850 -7.978 54 HD3 LYS 6 3HD LYS 6 2.856 -5.802 -8.562 55 HE2 LYS 6 2HE LYS 6 2.073 -7.271 -10.348 56 HE3 LYS 6 3HE LYS 6 3.786 -7.488 -9.983 57 HZ1 LYS 6 3HZ LYS 6 1.580 -9.308 -9.248 58 HZ2 LYS 6 1HZ LYS 6 2.835 -9.597 -10.258 59 HZ3 LYS 6 2HZ LYS 6 3.099 -9.478 -8.647 60 H THR 7 HN THR 7 6.214 -6.465 -2.964 61 HA THR 7 HA THR 7 8.076 -4.547 -4.205 62 HB THR 7 HB THR 7 6.313 -3.305 -2.840 63 HG1 THR 7 HG1 THR 7 7.982 -2.172 -3.284 64 HG21 THR 7 3HG2 THR 7 7.819 -4.089 -0.348 65 HG22 THR 7 1HG2 THR 7 6.219 -3.370 -0.540 66 HG23 THR 7 2HG2 THR 7 6.449 -5.066 -0.903 67 H LEU 8 HN LEU 8 8.292 -7.478 -3.539 68 HA LEU 8 HA LEU 8 10.873 -7.174 -2.294 69 HG LEU 8 HG LEU 8 11.674 -8.765 -0.397 70 HB2 LEU 8 2HB LEU 8 8.840 -7.634 -0.456 71 HB3 LEU 8 3HB LEU 8 9.225 -9.286 -0.928 72 HD11 LEU 8 1HD1 LEU 8 11.663 -6.306 -0.535 73 HD12 LEU 8 2HD1 LEU 8 10.423 -6.218 0.723 74 HD13 LEU 8 3HD1 LEU 8 12.038 -6.823 1.126 75 HD21 LEU 8 3HD2 LEU 8 9.635 -8.382 1.830 76 HD22 LEU 8 1HD2 LEU 8 10.271 -9.930 1.218 77 HD23 LEU 8 2HD2 LEU 8 11.337 -8.808 2.081 78 H THR 9 HN THR 9 12.121 -9.171 -2.428 79 HA THR 9 HA THR 9 11.514 -10.694 -4.776 80 HB THR 9 HB THR 9 13.750 -10.045 -3.782 81 HG1 THR 9 HG1 THR 9 14.667 -11.517 -4.797 82 HG21 THR 9 3HG2 THR 9 13.399 -10.739 -1.461 83 HG22 THR 9 1HG2 THR 9 13.297 -12.439 -1.972 84 HG23 THR 9 2HG2 THR 9 14.812 -11.525 -2.175 85 H GLY 10 HN GLY 10 10.766 -12.899 -4.853 86 HA2 GLY 10 1HA GLY 10 9.596 -14.757 -4.162 87 HA3 GLY 10 2HA GLY 10 9.937 -14.324 -2.491 88 H LYS 11 HN LYS 11 8.008 -14.647 -1.670 89 HA LYS 11 HA LYS 11 5.492 -14.446 -2.846 90 HB2 LYS 11 2HB LYS 11 6.558 -15.724 -0.801 91 HB3 LYS 11 3HB LYS 11 5.977 -14.369 0.148 92 HG2 LYS 11 2HG LYS 11 3.697 -14.966 -0.263 93 HG3 LYS 11 3HG LYS 11 4.119 -15.988 -1.645 94 HD2 LYS 11 2HD LYS 11 5.111 -17.647 -0.322 95 HD3 LYS 11 3HD LYS 11 5.254 -16.636 1.099 96 HE2 LYS 11 2HE LYS 11 2.534 -17.514 0.045 97 HE3 LYS 11 3HE LYS 11 3.537 -18.558 1.049 98 HZ1 LYS 11 3HZ LYS 11 1.968 -16.348 1.882 99 HZ2 LYS 11 1HZ LYS 11 2.611 -17.569 2.740 100 HZ3 LYS 11 2HZ LYS 11 3.523 -16.236 2.426 101 H THR 12 HN THR 12 4.079 -12.829 -3.122 102 HA THR 12 HA THR 12 4.704 -10.162 -2.760 103 HB THR 12 HB THR 12 3.467 -11.348 -4.579 104 HG1 THR 12 HG1 THR 12 3.499 -9.277 -4.678 105 HG21 THR 12 3HG2 THR 12 1.895 -12.687 -3.331 106 HG22 THR 12 1HG2 THR 12 1.030 -11.246 -2.786 107 HG23 THR 12 2HG2 THR 12 1.077 -11.649 -4.502 108 H ILE 13 HN ILE 13 4.594 -11.113 -0.114 109 HA ILE 13 HA ILE 13 3.683 -10.953 1.927 110 HB ILE 13 HB ILE 13 4.169 -8.878 2.783 111 HG12 ILE 13 2HG1 ILE 13 4.732 -6.975 0.919 112 HG13 ILE 13 3HG1 ILE 13 3.330 -7.707 0.159 113 HG21 ILE 13 1HG2 ILE 13 5.872 -9.173 0.276 114 HG22 ILE 13 2HG2 ILE 13 6.338 -8.439 1.812 115 HG23 ILE 13 3HG2 ILE 13 5.996 -10.164 1.743 116 HD11 ILE 13 3HD1 ILE 13 1.954 -7.149 2.129 117 HD12 ILE 13 1HD1 ILE 13 3.388 -6.778 3.078 118 HD13 ILE 13 2HD1 ILE 13 2.930 -5.719 1.770 119 H THR 14 HN THR 14 1.848 -11.561 2.826 120 HA THR 14 HA THR 14 -0.665 -10.661 1.654 121 HB THR 14 HB THR 14 -0.151 -12.393 4.098 122 HG1 THR 14 HG1 THR 14 -0.197 -12.810 1.325 123 HG21 THR 14 3HG2 THR 14 -2.476 -11.611 4.007 124 HG22 THR 14 1HG2 THR 14 -2.592 -12.028 2.276 125 HG23 THR 14 2HG2 THR 14 -2.411 -13.299 3.501 126 H LEU 15 HN LEU 15 -1.989 -9.092 2.371 127 HA LEU 15 HA LEU 15 -1.256 -7.587 4.818 128 HG LEU 15 HG LEU 15 -0.575 -4.547 2.700 129 HB2 LEU 15 2HB LEU 15 -0.260 -6.902 2.462 130 HB3 LEU 15 3HB LEU 15 -1.899 -6.442 2.101 131 HD11 LEU 15 1HD1 LEU 15 -1.959 -3.468 4.323 132 HD12 LEU 15 2HD1 LEU 15 -2.975 -4.577 3.393 133 HD13 LEU 15 3HD1 LEU 15 -2.448 -5.005 5.036 134 HD21 LEU 15 3HD2 LEU 15 -0.087 -5.833 5.418 135 HD22 LEU 15 1HD2 LEU 15 1.102 -5.691 4.108 136 HD23 LEU 15 2HD2 LEU 15 0.457 -4.245 4.900 137 H GLU 16 HN GLU 16 -3.092 -7.107 5.955 138 HA GLU 16 HA GLU 16 -5.684 -7.813 4.699 139 HB2 GLU 16 2HB GLU 16 -4.487 -8.397 7.400 140 HB3 GLU 16 3HB GLU 16 -6.246 -8.375 7.153 141 HG2 GLU 16 2HG GLU 16 -6.275 -10.277 5.956 142 HG3 GLU 16 3HG GLU 16 -4.879 -9.799 4.981 143 H VAL 17 HN VAL 17 -6.173 -5.855 3.939 144 HA VAL 17 HA VAL 17 -6.795 -3.822 5.982 145 HB VAL 17 HB VAL 17 -4.879 -3.090 4.823 146 HG11 VAL 17 1HG1 VAL 17 -4.716 -2.630 2.473 147 HG12 VAL 17 2HG1 VAL 17 -5.045 -4.356 2.696 148 HG13 VAL 17 3HG1 VAL 17 -6.353 -3.276 2.181 149 HG21 VAL 17 3HG2 VAL 17 -6.747 -1.492 5.389 150 HG22 VAL 17 1HG2 VAL 17 -5.620 -0.960 4.156 151 HG23 VAL 17 2HG2 VAL 17 -7.216 -1.530 3.669 152 H GLU 18 HN GLU 18 -8.583 -2.376 5.262 153 HA GLU 18 HA GLU 18 -10.748 -3.981 4.059 154 HB2 GLU 18 2HB GLU 18 -11.411 -1.829 6.012 155 HB3 GLU 18 3HB GLU 18 -12.156 -3.392 5.748 156 HG2 GLU 18 2HG GLU 18 -11.277 -3.389 7.939 157 HG3 GLU 18 3HG GLU 18 -10.247 -4.458 6.989 158 HA PRO 19 HA PRO 19 -11.423 -0.101 1.829 159 HB2 PRO 19 2HB PRO 19 -14.069 -0.186 1.251 160 HB3 PRO 19 3HB PRO 19 -12.906 -1.313 0.490 161 HG2 PRO 19 2HG PRO 19 -14.659 -1.843 2.904 162 HG3 PRO 19 3HG PRO 19 -14.473 -2.846 1.427 163 HD2 PRO 19 2HD PRO 19 -13.038 -3.304 3.710 164 HD3 PRO 19 3HD PRO 19 -12.339 -3.582 2.088 165 H SER 20 HN SER 20 -12.485 1.912 2.241 166 HA SER 20 HA SER 20 -13.675 3.552 3.312 167 HG SER 20 HG SER 20 -14.748 0.745 4.803 168 HB2 SER 20 2HB SER 20 -13.645 2.071 5.938 169 HB3 SER 20 3HB SER 20 -14.642 3.446 5.439 170 H ASP 21 HN ASP 21 -10.947 1.775 4.560 171 HA ASP 21 HA ASP 21 -9.746 3.415 6.316 172 HB2 ASP 21 2HB ASP 21 -9.148 1.093 4.816 173 HB3 ASP 21 3HB ASP 21 -7.820 2.193 4.440 174 H THR 22 HN THR 22 -7.885 4.958 6.213 175 HA THR 22 HA THR 22 -8.029 6.784 3.890 176 HB THR 22 HB THR 22 -6.424 8.170 5.166 177 HG1 THR 22 HG1 THR 22 -5.962 7.501 7.361 178 HG21 THR 22 3HG2 THR 22 -8.854 8.419 5.671 179 HG22 THR 22 1HG2 THR 22 -8.692 7.231 6.984 180 HG23 THR 22 2HG2 THR 22 -7.839 8.769 7.066 181 H ILE 23 HN ILE 23 -6.000 7.273 2.669 182 HA ILE 23 HA ILE 23 -4.493 4.864 2.163 183 HB ILE 23 HB ILE 23 -3.687 7.685 1.377 184 HG12 ILE 23 2HG1 ILE 23 -5.911 7.607 0.601 185 HG13 ILE 23 3HG1 ILE 23 -4.908 7.236 -0.785 186 HG21 ILE 23 1HG2 ILE 23 -3.151 4.944 0.182 187 HG22 ILE 23 2HG2 ILE 23 -2.707 6.505 -0.574 188 HG23 ILE 23 3HG2 ILE 23 -1.972 6.019 0.943 189 HD11 ILE 23 3HD1 ILE 23 -5.924 5.286 -1.129 190 HD12 ILE 23 1HD1 ILE 23 -5.800 4.758 0.543 191 HD13 ILE 23 2HD1 ILE 23 -7.132 5.806 0.060 192 H GLU 24 HN GLU 24 -4.073 7.561 4.381 193 HA GLU 24 HA GLU 24 -1.369 7.110 5.126 194 HB2 GLU 24 2HB GLU 24 -2.849 9.064 5.644 195 HB3 GLU 24 3HB GLU 24 -3.713 8.048 6.795 196 HG2 GLU 24 2HG GLU 24 -1.395 7.677 7.911 197 HG3 GLU 24 3HG GLU 24 -0.828 9.012 6.896 198 H ASN 25 HN ASN 25 -4.465 5.728 6.413 199 HA ASN 25 HA ASN 25 -3.328 4.044 8.399 200 HB2 ASN 25 2HB ASN 25 -5.933 4.187 6.931 201 HB3 ASN 25 3HB ASN 25 -5.460 2.592 7.446 202 HD21 ASN 25 1HD2 ASN 25 -5.721 5.915 8.766 203 HD22 ASN 25 2HD2 ASN 25 -6.420 5.373 10.267 204 H VAL 26 HN VAL 26 -4.187 3.336 4.991 205 HA VAL 26 HA VAL 26 -3.227 0.679 5.009 206 HB VAL 26 HB VAL 26 -3.295 2.598 2.638 207 HG11 VAL 26 1HG1 VAL 26 -3.652 0.523 1.311 208 HG12 VAL 26 2HG1 VAL 26 -2.104 0.529 2.133 209 HG13 VAL 26 3HG1 VAL 26 -3.444 -0.441 2.796 210 HG21 VAL 26 3HG2 VAL 26 -5.498 2.680 3.075 211 HG22 VAL 26 1HG2 VAL 26 -5.570 1.048 2.435 212 HG23 VAL 26 2HG2 VAL 26 -5.479 1.305 4.180 213 H LYS 27 HN LYS 27 -1.484 3.734 4.125 214 HA LYS 27 HA LYS 27 1.049 2.582 3.661 215 HB2 LYS 27 2HB LYS 27 1.587 4.694 3.269 216 HB3 LYS 27 3HB LYS 27 0.036 5.233 3.879 217 HG2 LYS 27 2HG LYS 27 1.074 5.325 6.186 218 HG3 LYS 27 3HG LYS 27 2.633 4.957 5.440 219 HD2 LYS 27 2HD LYS 27 0.868 7.364 4.763 220 HD3 LYS 27 3HD LYS 27 2.123 7.348 6.006 221 HE2 LYS 27 2HE LYS 27 3.756 6.616 4.152 222 HE3 LYS 27 3HE LYS 27 2.484 7.072 3.006 223 HZ1 LYS 27 3HZ LYS 27 3.721 8.846 5.034 224 HZ2 LYS 27 1HZ LYS 27 3.992 8.881 3.413 225 HZ3 LYS 27 2HZ LYS 27 2.499 9.286 4.035 226 H ALA 28 HN ALA 28 -0.337 3.550 6.801 227 HA ALA 28 HA ALA 28 1.988 2.928 8.276 228 HB1 ALA 28 1HB ALA 28 -0.918 2.766 9.182 229 HB2 ALA 28 2HB ALA 28 0.516 2.967 10.205 230 HB3 ALA 28 3HB ALA 28 0.043 4.260 9.084 231 H LYS 29 HN LYS 29 -0.862 0.907 7.518 232 HA LYS 29 HA LYS 29 -0.121 -1.404 8.942 233 HB2 LYS 29 2HB LYS 29 -2.283 -0.818 7.866 234 HB3 LYS 29 3HB LYS 29 -1.598 -1.157 6.279 235 HG2 LYS 29 2HG LYS 29 -1.461 -3.473 6.691 236 HG3 LYS 29 3HG LYS 29 -1.649 -3.290 8.441 237 HD2 LYS 29 2HD LYS 29 -3.841 -2.199 6.655 238 HD3 LYS 29 3HD LYS 29 -3.744 -3.951 6.883 239 HE2 LYS 29 2HE LYS 29 -3.987 -3.799 9.238 240 HE3 LYS 29 3HE LYS 29 -3.646 -2.071 9.262 241 HZ1 LYS 29 3HZ LYS 29 -6.112 -3.124 7.980 242 HZ2 LYS 29 1HZ LYS 29 -6.023 -2.754 9.543 243 HZ3 LYS 29 2HZ LYS 29 -5.761 -1.577 8.449 244 H ILE 30 HN ILE 30 1.024 -0.272 5.759 245 HA ILE 30 HA ILE 30 2.452 -2.826 5.386 246 HB ILE 30 HB ILE 30 3.351 -0.741 3.570 247 HG12 ILE 30 2HG1 ILE 30 1.165 0.249 3.699 248 HG13 ILE 30 3HG1 ILE 30 1.457 -0.494 2.141 249 HG21 ILE 30 1HG2 ILE 30 2.688 -2.488 1.917 250 HG22 ILE 30 2HG2 ILE 30 3.698 -3.109 3.231 251 HG23 ILE 30 3HG2 ILE 30 1.962 -3.435 3.230 252 HD11 ILE 30 3HD1 ILE 30 0.046 -2.367 2.590 253 HD12 ILE 30 1HD1 ILE 30 -0.203 -1.897 4.279 254 HD13 ILE 30 2HD1 ILE 30 -0.844 -0.910 2.979 255 H GLN 31 HN GLN 31 3.161 0.556 6.232 256 HA GLN 31 HA GLN 31 5.915 0.473 6.262 257 HB2 GLN 31 2HB GLN 31 5.857 2.481 7.234 258 HB3 GLN 31 3HB GLN 31 4.161 2.388 6.913 259 HG2 GLN 31 2HG GLN 31 4.253 3.267 9.011 260 HG3 GLN 31 3HG GLN 31 3.953 1.599 9.395 261 HE21 GLN 31 1HE2 GLN 31 6.479 4.122 9.273 262 HE22 GLN 31 2HE2 GLN 31 7.459 3.386 10.529 263 H ASP 32 HN ASP 32 3.653 -0.494 8.815 264 HA ASP 32 HA ASP 32 5.766 -1.227 10.604 265 HB2 ASP 32 2HB ASP 32 3.525 -0.190 11.137 266 HB3 ASP 32 3HB ASP 32 2.789 -1.744 10.854 267 H LYS 33 HN LYS 33 3.372 -3.154 8.753 268 HA LYS 33 HA LYS 33 4.107 -5.671 9.768 269 HB2 LYS 33 2HB LYS 33 2.104 -5.264 8.431 270 HB3 LYS 33 3HB LYS 33 3.058 -4.931 6.989 271 HG2 LYS 33 2HG LYS 33 3.303 -7.588 8.422 272 HG3 LYS 33 3HG LYS 33 1.910 -7.274 7.374 273 HD2 LYS 33 2HD LYS 33 3.292 -6.938 5.445 274 HD3 LYS 33 3HD LYS 33 4.758 -7.014 6.415 275 HE2 LYS 33 2HE LYS 33 3.759 -9.398 7.114 276 HE3 LYS 33 3HE LYS 33 2.965 -9.245 5.536 277 HZ1 LYS 33 3HZ LYS 33 5.127 -10.270 5.234 278 HZ2 LYS 33 1HZ LYS 33 5.286 -8.689 4.695 279 HZ3 LYS 33 2HZ LYS 33 5.853 -9.124 6.144 280 H GLU 34 HN GLU 34 5.445 -3.857 6.969 281 HA GLU 34 HA GLU 34 7.400 -5.914 6.303 282 HB2 GLU 34 2HB GLU 34 6.515 -4.315 4.645 283 HB3 GLU 34 3HB GLU 34 7.118 -3.000 5.601 284 HG2 GLU 34 2HG GLU 34 8.587 -3.202 3.794 285 HG3 GLU 34 3HG GLU 34 9.468 -3.741 5.218 286 H GLY 35 HN GLY 35 7.335 -2.900 8.266 287 HA2 GLY 35 1HA GLY 35 8.745 -2.455 10.086 288 HA3 GLY 35 2HA GLY 35 10.002 -3.505 9.416 289 H ILE 36 HN ILE 36 8.466 -1.553 7.068 290 HA ILE 36 HA ILE 36 10.938 -0.071 6.540 291 HB ILE 36 HB ILE 36 9.804 -1.305 4.808 292 HG12 ILE 36 2HG1 ILE 36 9.762 1.691 4.375 293 HG13 ILE 36 3HG1 ILE 36 11.136 0.591 4.196 294 HG21 ILE 36 1HG2 ILE 36 7.397 -0.908 5.679 295 HG22 ILE 36 2HG2 ILE 36 7.478 0.603 4.777 296 HG23 ILE 36 3HG2 ILE 36 7.635 -0.953 3.942 297 HD11 ILE 36 3HD1 ILE 36 10.287 0.824 2.018 298 HD12 ILE 36 1HD1 ILE 36 9.605 -0.714 2.542 299 HD13 ILE 36 2HD1 ILE 36 8.600 0.760 2.549 300 HA PRO 37 HA PRO 37 9.056 3.482 8.652 301 HB2 PRO 37 2HB PRO 37 11.046 5.051 7.042 302 HB3 PRO 37 3HB PRO 37 10.754 5.074 8.803 303 HG2 PRO 37 2HG PRO 37 12.943 3.853 7.712 304 HG3 PRO 37 3HG PRO 37 12.108 3.220 9.167 305 HD2 PRO 37 2HD PRO 37 11.923 2.266 6.317 306 HD3 PRO 37 3HD PRO 37 11.956 1.326 7.836 307 HA PRO 38 HA PRO 38 6.651 5.228 5.249 308 HB2 PRO 38 2HB PRO 38 6.006 7.730 5.966 309 HB3 PRO 38 3HB PRO 38 5.453 6.328 6.935 310 HG2 PRO 38 2HG PRO 38 7.848 8.130 7.450 311 HG3 PRO 38 3HG PRO 38 6.582 7.618 8.606 312 HD2 PRO 38 2HD PRO 38 9.022 6.376 8.357 313 HD3 PRO 38 3HD PRO 38 7.553 5.508 8.867 314 H ASP 39 HN ASP 39 9.820 6.441 5.853 315 HA ASP 39 HA ASP 39 9.935 8.833 4.409 316 HB2 ASP 39 2HB ASP 39 11.624 7.836 6.002 317 HB3 ASP 39 3HB ASP 39 12.176 6.787 4.700 318 H GLN 40 HN GLN 40 10.546 5.519 3.353 319 HA GLN 40 HA GLN 40 10.620 6.205 0.457 320 HB2 GLN 40 2HB GLN 40 12.419 4.598 2.307 321 HB3 GLN 40 3HB GLN 40 12.283 4.154 0.599 322 HG2 GLN 40 2HG GLN 40 13.171 6.142 -0.186 323 HG3 GLN 40 3HG GLN 40 12.694 7.072 1.230 324 HE21 GLN 40 1HE2 GLN 40 14.433 7.813 2.296 325 HE22 GLN 40 2HE2 GLN 40 15.969 6.923 2.468 326 H GLN 41 HN GLN 41 8.283 5.833 0.666 327 HA GLN 41 HA GLN 41 7.622 3.026 0.259 328 HB2 GLN 41 2HB GLN 41 7.655 3.506 2.796 329 HB3 GLN 41 3HB GLN 41 6.265 4.566 2.525 330 HG2 GLN 41 2HG GLN 41 5.127 2.555 1.407 331 HG3 GLN 41 3HG GLN 41 6.517 1.594 1.946 332 HE21 GLN 41 1HE2 GLN 41 6.813 2.953 4.629 333 HE22 GLN 41 2HE2 GLN 41 5.390 2.397 5.481 334 H ARG 42 HN ARG 42 7.042 3.764 -1.853 335 HA ARG 42 HA ARG 42 4.905 5.800 -2.073 336 HE ARG 42 HE ARG 42 4.093 8.540 -3.144 337 HB2 ARG 42 2HB ARG 42 6.562 4.231 -3.979 338 HB3 ARG 42 3HB ARG 42 4.912 4.493 -4.510 339 HG2 ARG 42 2HG ARG 42 6.649 6.759 -3.478 340 HG3 ARG 42 3HG ARG 42 6.651 6.259 -5.174 341 HD2 ARG 42 2HD ARG 42 4.685 7.272 -5.630 342 HD3 ARG 42 3HD ARG 42 3.902 6.575 -4.216 343 HH11 ARG 42 2HH2 ARG 42 6.698 8.533 -5.540 344 HH12 ARG 42 1HH2 ARG 42 7.125 10.200 -5.261 345 HH21 ARG 42 2HH1 ARG 42 4.546 10.722 -2.907 346 HH22 ARG 42 1HH1 ARG 42 6.127 11.310 -3.401 347 H LEU 43 HN LEU 43 3.027 5.240 -1.139 348 HA LEU 43 HA LEU 43 1.843 2.564 -1.514 349 HG LEU 43 HG LEU 43 0.193 3.940 1.613 350 HB2 LEU 43 2HB LEU 43 1.325 5.024 0.056 351 HB3 LEU 43 3HB LEU 43 -0.096 4.576 -0.727 352 HD11 LEU 43 1HD1 LEU 43 -1.571 2.790 1.241 353 HD12 LEU 43 2HD1 LEU 43 -1.162 2.571 -0.446 354 HD13 LEU 43 3HD1 LEU 43 -0.599 1.390 0.774 355 HD21 LEU 43 3HD2 LEU 43 2.421 3.143 1.703 356 HD22 LEU 43 1HD2 LEU 43 1.408 1.710 1.947 357 HD23 LEU 43 2HD2 LEU 43 2.152 1.979 0.413 358 H ILE 44 HN ILE 44 1.026 2.062 -3.535 359 HA ILE 44 HA ILE 44 -0.193 4.190 -5.099 360 HB ILE 44 HB ILE 44 2.326 3.741 -5.733 361 HG12 ILE 44 2HG1 ILE 44 1.579 3.898 -8.263 362 HG13 ILE 44 3HG1 ILE 44 -0.042 4.055 -7.592 363 HG21 ILE 44 1HG2 ILE 44 2.074 1.272 -5.823 364 HG22 ILE 44 2HG2 ILE 44 1.000 1.459 -7.227 365 HG23 ILE 44 3HG2 ILE 44 2.689 1.961 -7.329 366 HD11 ILE 44 3HD1 ILE 44 2.377 5.793 -6.892 367 HD12 ILE 44 1HD1 ILE 44 1.050 6.250 -7.964 368 HD13 ILE 44 2HD1 ILE 44 0.749 6.003 -6.222 369 H PHE 45 HN PHE 45 -2.086 3.406 -6.020 370 HA PHE 45 HA PHE 45 -2.824 0.642 -5.271 371 HD1 PHE 45 HD1 PHE 45 -5.138 -0.061 -4.449 372 HD2 PHE 45 HD2 PHE 45 -4.430 4.067 -3.589 373 HE1 PHE 45 HE1 PHE 45 -5.531 -0.518 -2.081 374 HE2 PHE 45 HE2 PHE 45 -4.606 3.556 -1.157 375 HZ PHE 45 HZ PHE 45 -5.201 1.276 -0.398 376 HB2 PHE 45 2HB PHE 45 -4.389 3.123 -6.036 377 HB3 PHE 45 3HB PHE 45 -5.100 1.530 -6.200 378 H ALA 46 HN ALA 46 -4.414 1.779 -8.173 379 HA ALA 46 HA ALA 46 -3.157 -0.404 -9.652 380 HB1 ALA 46 1HB ALA 46 -5.000 1.807 -10.667 381 HB2 ALA 46 2HB ALA 46 -4.582 0.298 -11.473 382 HB3 ALA 46 3HB ALA 46 -5.536 0.258 -9.990 383 H GLY 47 HN GLY 47 -3.240 3.172 -9.911 384 HA2 GLY 47 1HA GLY 47 -0.510 3.653 -10.483 385 HA3 GLY 47 2HA GLY 47 -1.360 3.319 -12.006 386 H LYS 48 HN LYS 48 -2.007 5.137 -8.978 387 HA LYS 48 HA LYS 48 -2.338 7.618 -10.454 388 HB2 LYS 48 2HB LYS 48 -4.324 8.282 -9.207 389 HB3 LYS 48 3HB LYS 48 -4.689 6.861 -10.163 390 HG2 LYS 48 2HG LYS 48 -4.313 5.481 -8.037 391 HG3 LYS 48 3HG LYS 48 -4.159 7.029 -7.198 392 HD2 LYS 48 2HD LYS 48 -6.669 6.413 -8.733 393 HD3 LYS 48 3HD LYS 48 -6.420 5.746 -7.111 394 HE2 LYS 48 2HE LYS 48 -5.989 8.101 -6.254 395 HE3 LYS 48 3HE LYS 48 -6.287 8.703 -7.882 396 HZ1 LYS 48 3HZ LYS 48 -8.572 7.999 -7.711 397 HZ2 LYS 48 1HZ LYS 48 -8.334 7.300 -6.256 398 HZ3 LYS 48 2HZ LYS 48 -8.208 8.913 -6.435 399 H GLN 49 HN GLN 49 -1.536 9.309 -9.061 400 HA GLN 49 HA GLN 49 0.538 8.527 -7.499 401 HB2 GLN 49 2HB GLN 49 0.881 10.818 -6.844 402 HB3 GLN 49 3HB GLN 49 0.426 10.711 -8.532 403 HG2 GLN 49 2HG GLN 49 -1.758 11.294 -6.511 404 HG3 GLN 49 3HG GLN 49 -0.585 12.542 -6.877 405 HE21 GLN 49 1HE2 GLN 49 -3.447 11.009 -8.026 406 HE22 GLN 49 2HE2 GLN 49 -3.511 11.797 -9.580 407 H LEU 50 HN LEU 50 -2.650 8.761 -6.223 408 HA LEU 50 HA LEU 50 -3.552 8.149 -4.303 409 HG LEU 50 HG LEU 50 -3.691 6.165 -3.161 410 HB2 LEU 50 2HB LEU 50 -0.845 7.098 -3.696 411 HB3 LEU 50 3HB LEU 50 -1.829 7.527 -2.308 412 HD11 LEU 50 1HD1 LEU 50 -1.647 5.594 -5.342 413 HD12 LEU 50 2HD1 LEU 50 -3.164 4.691 -5.152 414 HD13 LEU 50 3HD1 LEU 50 -3.197 6.381 -5.556 415 HD21 LEU 50 3HD2 LEU 50 -2.733 4.538 -1.936 416 HD22 LEU 50 1HD2 LEU 50 -1.789 4.015 -3.329 417 HD23 LEU 50 2HD2 LEU 50 -1.173 5.274 -2.244 418 H GLU 51 HN GLU 51 -4.406 9.951 -4.028 419 HA GLU 51 HA GLU 51 -3.364 12.205 -2.536 420 HB2 GLU 51 2HB GLU 51 -5.370 12.132 -4.178 421 HB3 GLU 51 3HB GLU 51 -6.255 11.242 -2.940 422 HG2 GLU 51 2HG GLU 51 -6.827 13.593 -2.816 423 HG3 GLU 51 3HG GLU 51 -5.927 13.150 -1.378 424 H ASP 52 HN ASP 52 -3.323 12.317 -0.233 425 HA ASP 52 HA ASP 52 -3.214 9.772 1.109 426 HB2 ASP 52 2HB ASP 52 -1.564 11.521 1.491 427 HB3 ASP 52 3HB ASP 52 -2.804 12.622 2.093 428 H GLY 53 HN GLY 53 -5.059 12.760 1.755 429 HA2 GLY 53 1HA GLY 53 -6.784 11.363 3.688 430 HA3 GLY 53 2HA GLY 53 -6.825 13.094 3.313 431 H ARG 54 HN ARG 54 -7.365 9.904 1.886 432 HA ARG 54 HA ARG 54 -9.787 10.828 0.458 433 HE ARG 54 HE ARG 54 -11.505 9.756 -2.493 434 HB2 ARG 54 2HB ARG 54 -7.672 11.193 -0.943 435 HB3 ARG 54 3HB ARG 54 -7.351 9.471 -0.808 436 HG2 ARG 54 2HG ARG 54 -8.351 9.849 -2.947 437 HG3 ARG 54 3HG ARG 54 -9.577 9.050 -1.968 438 HD2 ARG 54 2HD ARG 54 -9.827 11.895 -1.553 439 HD3 ARG 54 3HD ARG 54 -9.651 11.627 -3.283 440 HH11 ARG 54 2HH2 ARG 54 -11.298 13.285 -2.122 441 HH12 ARG 54 1HH2 ARG 54 -12.999 13.526 -2.216 442 HH21 ARG 54 2HH1 ARG 54 -13.852 10.134 -2.718 443 HH22 ARG 54 1HH1 ARG 54 -14.396 11.752 -2.551 444 H THR 55 HN THR 55 -11.283 9.242 0.522 445 HA THR 55 HA THR 55 -10.852 7.059 2.138 446 HB THR 55 HB THR 55 -13.126 7.380 0.118 447 HG1 THR 55 HG1 THR 55 -13.815 9.107 1.185 448 HG21 THR 55 3HG2 THR 55 -13.123 6.542 3.052 449 HG22 THR 55 1HG2 THR 55 -14.520 6.544 1.959 450 HG23 THR 55 2HG2 THR 55 -13.193 5.393 1.704 451 H LEU 56 HN LEU 56 -10.406 4.938 1.771 452 HA LEU 56 HA LEU 56 -9.708 3.553 -0.494 453 HG LEU 56 HG LEU 56 -9.112 1.430 2.487 454 HB2 LEU 56 2HB LEU 56 -10.778 3.016 2.189 455 HB3 LEU 56 3HB LEU 56 -11.170 1.762 1.048 456 HD11 LEU 56 1HD1 LEU 56 -7.879 0.460 0.450 457 HD12 LEU 56 2HD1 LEU 56 -9.523 -0.068 0.781 458 HD13 LEU 56 3HD1 LEU 56 -9.248 1.155 -0.465 459 HD21 LEU 56 3HD2 LEU 56 -8.070 3.742 0.875 460 HD22 LEU 56 1HD2 LEU 56 -7.723 3.260 2.517 461 HD23 LEU 56 2HD2 LEU 56 -6.988 2.386 1.186 462 H SER 57 HN SER 57 -12.824 4.828 -0.085 463 HA SER 57 HA SER 57 -14.243 2.942 -1.821 464 HG SER 57 HG SER 57 -16.373 3.670 -2.146 465 HB2 SER 57 2HB SER 57 -15.255 4.213 0.112 466 HB3 SER 57 3HB SER 57 -15.038 5.708 -0.800 467 H ASP 58 HN ASP 58 -12.514 6.094 -2.111 468 HA ASP 58 HA ASP 58 -13.573 6.738 -4.747 469 HB2 ASP 58 2HB ASP 58 -12.837 8.502 -3.268 470 HB3 ASP 58 3HB ASP 58 -11.217 7.808 -3.161 471 H TYR 59 HN TYR 59 -10.627 5.263 -3.419 472 HA TYR 59 HA TYR 59 -9.373 4.688 -5.930 473 HD1 TYR 59 HD1 TYR 59 -9.000 5.441 -2.027 474 HD2 TYR 59 HD2 TYR 59 -6.491 4.529 -5.382 475 HE1 TYR 59 HE1 TYR 59 -7.789 7.533 -1.635 476 HE2 TYR 59 HE2 TYR 59 -5.253 6.669 -5.015 477 HH TYR 59 HH TYR 59 -5.669 8.768 -2.297 478 HB2 TYR 59 2HB TYR 59 -9.210 3.315 -3.247 479 HB3 TYR 59 3HB TYR 59 -8.138 2.964 -4.623 480 H ASN 60 HN ASN 60 -11.050 2.677 -3.671 481 HA ASN 60 HA ASN 60 -11.765 0.767 -3.571 482 HB2 ASN 60 2HB ASN 60 -13.799 0.073 -4.594 483 HB3 ASN 60 3HB ASN 60 -13.829 1.726 -3.975 484 HD21 ASN 60 1HD2 ASN 60 -12.494 0.845 -7.250 485 HD22 ASN 60 2HD2 ASN 60 -13.841 1.481 -8.157 486 H ILE 61 HN ILE 61 -11.226 -1.151 -3.684 487 HA ILE 61 HA ILE 61 -10.152 -2.290 -6.174 488 HB ILE 61 HB ILE 61 -8.085 -2.601 -4.999 489 HG12 ILE 61 2HG1 ILE 61 -8.693 -1.949 -2.608 490 HG13 ILE 61 3HG1 ILE 61 -7.250 -1.218 -3.274 491 HG21 ILE 61 1HG2 ILE 61 -8.125 -0.962 -6.719 492 HG22 ILE 61 2HG2 ILE 61 -8.668 0.303 -5.650 493 HG23 ILE 61 3HG2 ILE 61 -7.057 -0.405 -5.454 494 HD11 ILE 61 3HD1 ILE 61 -8.601 0.933 -3.654 495 HD12 ILE 61 1HD1 ILE 61 -9.822 0.173 -2.600 496 HD13 ILE 61 2HD1 ILE 61 -8.151 0.423 -2.059 497 H GLN 62 HN GLN 62 -10.910 -4.305 -6.154 498 HA GLN 62 HA GLN 62 -10.945 -5.792 -3.550 499 HB2 GLN 62 2HB GLN 62 -12.866 -5.931 -5.905 500 HB3 GLN 62 3HB GLN 62 -12.643 -7.251 -4.751 501 HG2 GLN 62 2HG GLN 62 -14.473 -6.114 -3.892 502 HG3 GLN 62 3HG GLN 62 -13.149 -5.587 -2.871 503 HE21 GLN 62 1HE2 GLN 62 -12.626 -3.258 -2.865 504 HE22 GLN 62 2HE2 GLN 62 -13.725 -2.162 -3.640 505 H LYS 63 HN LYS 63 -9.196 -6.945 -3.499 506 HA LYS 63 HA LYS 63 -7.611 -8.449 -3.898 507 HB2 LYS 63 2HB LYS 63 -9.694 -9.549 -4.892 508 HB3 LYS 63 3HB LYS 63 -9.045 -9.180 -6.478 509 HG2 LYS 63 2HG LYS 63 -7.147 -10.595 -6.155 510 HG3 LYS 63 3HG LYS 63 -7.504 -10.821 -4.433 511 HD2 LYS 63 2HD LYS 63 -9.445 -11.648 -6.628 512 HD3 LYS 63 3HD LYS 63 -8.211 -12.737 -5.980 513 HE2 LYS 63 2HE LYS 63 -9.122 -12.551 -3.718 514 HE3 LYS 63 3HE LYS 63 -10.270 -11.313 -4.228 515 HZ1 LYS 63 3HZ LYS 63 -10.318 -14.142 -5.044 516 HZ2 LYS 63 1HZ LYS 63 -11.359 -13.364 -4.039 517 HZ3 LYS 63 2HZ LYS 63 -11.315 -12.974 -5.649 518 H GLU 64 HN GLU 64 -8.376 -6.856 -7.037 519 HA GLU 64 HA GLU 64 -5.596 -6.490 -7.791 520 HB2 GLU 64 2HB GLU 64 -8.295 -5.643 -8.839 521 HB3 GLU 64 3HB GLU 64 -6.862 -4.715 -9.343 522 HG2 GLU 64 2HG GLU 64 -5.700 -6.875 -9.882 523 HG3 GLU 64 3HG GLU 64 -7.211 -7.727 -9.584 524 H SER 65 HN SER 65 -7.079 -5.341 -5.258 525 HA SER 65 HA SER 65 -6.088 -2.696 -4.823 526 HG SER 65 HG SER 65 -5.456 -3.103 -2.091 527 HB2 SER 65 2HB SER 65 -7.726 -4.120 -3.455 528 HB3 SER 65 3HB SER 65 -6.383 -5.127 -3.023 529 H THR 66 HN THR 66 -4.151 -4.762 -6.234 530 HA THR 66 HA THR 66 -2.250 -5.464 -4.293 531 HB THR 66 HB THR 66 -0.907 -6.144 -6.294 532 HG1 THR 66 HG1 THR 66 -1.976 -4.463 -7.613 533 HG21 THR 66 3HG2 THR 66 -2.897 -7.499 -5.173 534 HG22 THR 66 1HG2 THR 66 -3.734 -7.129 -6.685 535 HG23 THR 66 2HG2 THR 66 -2.219 -8.033 -6.724 536 H LEU 67 HN LEU 67 -1.734 -3.687 -3.230 537 HA LEU 67 HA LEU 67 -1.035 -1.216 -4.420 538 HG LEU 67 HG LEU 67 -1.330 -0.266 -0.653 539 HB2 LEU 67 2HB LEU 67 -2.421 -1.591 -2.397 540 HB3 LEU 67 3HB LEU 67 -1.076 -2.316 -1.590 541 HD11 LEU 67 1HD1 LEU 67 0.989 -0.809 -1.154 542 HD12 LEU 67 2HD1 LEU 67 0.924 0.238 -2.610 543 HD13 LEU 67 3HD1 LEU 67 0.695 0.909 -0.991 544 HD21 LEU 67 3HD2 LEU 67 -2.532 1.226 -1.704 545 HD22 LEU 67 1HD2 LEU 67 -1.087 1.769 -2.552 546 HD23 LEU 67 2HD2 LEU 67 -2.185 0.578 -3.290 547 H HIS 68 HN HIS 68 0.888 -1.375 -5.588 548 HA HIS 68 HA HIS 68 2.957 -3.212 -4.567 549 HD1 HIS 68 HD1 HIS 68 0.085 -2.359 -7.508 550 HD2 HIS 68 HD2 HIS 68 3.784 -0.430 -8.183 551 HE1 HIS 68 HE1 HIS 68 -0.322 -0.661 -9.323 552 HB2 HIS 68 2HB HIS 68 3.893 -2.793 -6.893 553 HB3 HIS 68 3HB HIS 68 2.358 -3.658 -6.731 554 H LEU 69 HN LEU 69 4.078 -2.211 -2.929 555 HA LEU 69 HA LEU 69 4.684 0.528 -3.025 556 HG LEU 69 HG LEU 69 4.282 -2.000 -0.706 557 HB2 LEU 69 2HB LEU 69 6.483 -1.311 -1.492 558 HB3 LEU 69 3HB LEU 69 6.094 0.355 -1.216 559 HD11 LEU 69 1HD1 LEU 69 5.877 -2.004 1.066 560 HD12 LEU 69 2HD1 LEU 69 5.997 -0.253 1.059 561 HD13 LEU 69 3HD1 LEU 69 4.561 -1.027 1.713 562 HD21 LEU 69 3HD2 LEU 69 2.769 -0.374 0.283 563 HD22 LEU 69 1HD2 LEU 69 3.909 0.926 -0.167 564 HD23 LEU 69 2HD2 LEU 69 3.084 0.013 -1.431 565 H VAL 70 HN VAL 70 6.481 1.719 -3.550 566 HA VAL 70 HA VAL 70 8.799 0.459 -4.784 567 HB VAL 70 HB VAL 70 8.669 1.843 -6.815 568 HG11 VAL 70 1HG1 VAL 70 7.231 0.494 -8.090 569 HG12 VAL 70 2HG1 VAL 70 7.846 -0.502 -6.736 570 HG13 VAL 70 3HG1 VAL 70 6.190 0.128 -6.697 571 HG21 VAL 70 3HG2 VAL 70 6.578 2.853 -7.571 572 HG22 VAL 70 1HG2 VAL 70 5.809 2.504 -6.006 573 HG23 VAL 70 2HG2 VAL 70 7.172 3.654 -6.118 574 H LEU 71 HN LEU 71 10.026 2.689 -5.716 575 HA LEU 71 HA LEU 71 11.378 4.324 -5.114 576 HG LEU 71 HG LEU 71 11.181 6.762 -3.353 577 HB2 LEU 71 2HB LEU 71 9.145 5.504 -5.253 578 HB3 LEU 71 3HB LEU 71 9.065 5.430 -3.491 579 HD11 LEU 71 1HD1 LEU 71 12.326 6.245 -5.413 580 HD12 LEU 71 2HD1 LEU 71 10.921 6.730 -6.400 581 HD13 LEU 71 3HD1 LEU 71 11.873 7.935 -5.528 582 HD21 LEU 71 3HD2 LEU 71 8.960 7.868 -3.329 583 HD22 LEU 71 1HD2 LEU 71 10.178 8.887 -4.098 584 HD23 LEU 71 2HD2 LEU 71 9.014 8.006 -5.109 585 H ARG 72 HN ARG 72 12.617 2.712 -4.067 586 HA ARG 72 HA ARG 72 12.628 2.829 -1.078 587 HE ARG 72 HE ARG 72 11.619 -2.100 0.139 588 HB2 ARG 72 2HB ARG 72 12.887 0.468 -2.971 589 HB3 ARG 72 3HB ARG 72 13.465 0.434 -1.303 590 HG2 ARG 72 2HG ARG 72 11.213 0.755 -0.436 591 HG3 ARG 72 3HG ARG 72 10.574 0.973 -2.073 592 HD2 ARG 72 2HD ARG 72 10.099 -1.293 -1.357 593 HD3 ARG 72 3HD ARG 72 11.249 -1.335 -2.665 594 HH11 ARG 72 2HH2 ARG 72 13.224 -1.689 -3.020 595 HH12 ARG 72 1HH2 ARG 72 14.720 -2.409 -2.480 596 HH21 ARG 72 2HH1 ARG 72 13.601 -3.123 0.783 597 HH22 ARG 72 1HH1 ARG 72 14.873 -3.321 -0.364 598 H LEU 73 HN LEU 73 14.675 1.440 -3.685 599 HA LEU 73 HA LEU 73 17.057 2.269 -2.208 600 HG LEU 73 HG LEU 73 18.799 0.770 -2.465 601 HB2 LEU 73 2HB LEU 73 16.688 0.098 -3.626 602 HB3 LEU 73 3HB LEU 73 17.125 1.104 -5.008 603 HD11 LEU 73 1HD1 LEU 73 19.066 -0.617 -5.149 604 HD12 LEU 73 2HD1 LEU 73 20.220 -0.742 -3.803 605 HD13 LEU 73 3HD1 LEU 73 18.576 -1.369 -3.618 606 HD21 LEU 73 3HD2 LEU 73 19.480 2.013 -5.167 607 HD22 LEU 73 1HD2 LEU 73 19.479 2.813 -3.562 608 HD23 LEU 73 2HD2 LEU 73 20.683 1.597 -3.934 609 H ARG 74 HN ARG 74 17.538 4.317 -2.261 610 HA ARG 74 HA ARG 74 16.618 6.275 -4.049 611 HE ARG 74 HE ARG 74 18.481 7.206 1.080 612 HB2 ARG 74 2HB ARG 74 17.919 7.772 -2.686 613 HB3 ARG 74 3HB ARG 74 17.218 6.540 -1.645 614 HG2 ARG 74 2HG ARG 74 19.726 5.473 -2.409 615 HG3 ARG 74 3HG ARG 74 20.035 7.189 -2.196 616 HD2 ARG 74 2HD ARG 74 18.731 5.334 -0.153 617 HD3 ARG 74 3HD ARG 74 20.455 5.663 -0.208 618 HH11 ARG 74 2HH2 ARG 74 21.487 7.643 -0.782 619 HH12 ARG 74 1HH2 ARG 74 21.963 9.050 0.075 620 HH21 ARG 74 2HH1 ARG 74 19.231 8.992 2.332 621 HH22 ARG 74 1HH1 ARG 74 20.645 9.842 1.842 622 H GLY 75 HN GLY 75 18.876 4.057 -5.001 623 HA2 GLY 75 1HA GLY 75 20.472 4.048 -6.682 624 HA3 GLY 75 2HA GLY 75 20.257 5.791 -6.910 625 H GLY 76 HN GLY 76 22.852 4.556 -6.778 626 HA2 GLY 76 1HA GLY 76 23.999 5.768 -4.325 627 HA3 GLY 76 2HA GLY 76 24.322 4.065 -4.718 Start of MODEL 13 1 HA MET 1 HA MET 1 -11.054 -7.818 2.513 2 H1 MET 1 HN MET 1 -9.945 -6.742 5.001 3 HB2 MET 1 2HB MET 1 -10.504 -5.350 2.767 4 HB3 MET 1 3HB MET 1 -8.795 -5.818 2.657 5 HG2 MET 1 2HG MET 1 -9.401 -6.963 0.479 6 HG3 MET 1 3HG MET 1 -11.016 -6.250 0.630 7 HE1 MET 1 3HE MET 1 -9.798 -3.223 1.985 8 HE2 MET 1 1HE MET 1 -10.117 -2.378 0.456 9 HE3 MET 1 2HE MET 1 -11.275 -3.559 1.038 10 H GLN 2 HN GLN 2 -7.641 -7.417 3.808 11 HA GLN 2 HA GLN 2 -5.863 -8.747 3.685 12 HB2 GLN 2 2HB GLN 2 -7.273 -10.547 4.580 13 HB3 GLN 2 3HB GLN 2 -7.468 -11.095 2.919 14 HG2 GLN 2 2HG GLN 2 -4.876 -11.110 2.836 15 HG3 GLN 2 3HG GLN 2 -4.957 -10.930 4.596 16 HE21 GLN 2 1HE2 GLN 2 -4.432 -13.052 5.462 17 HE22 GLN 2 2HE2 GLN 2 -5.076 -14.500 4.723 18 H ILE 3 HN ILE 3 -4.828 -7.713 2.086 19 HA ILE 3 HA ILE 3 -5.212 -8.712 -0.650 20 HB ILE 3 HB ILE 3 -5.661 -6.803 -1.536 21 HG12 ILE 3 2HG1 ILE 3 -3.410 -6.024 -1.667 22 HG13 ILE 3 3HG1 ILE 3 -4.511 -4.726 -1.407 23 HG21 ILE 3 1HG2 ILE 3 -7.135 -6.466 0.321 24 HG22 ILE 3 2HG2 ILE 3 -5.879 -5.589 1.231 25 HG23 ILE 3 3HG2 ILE 3 -6.535 -4.920 -0.275 26 HD11 ILE 3 3HD1 ILE 3 -2.466 -4.360 -0.148 27 HD12 ILE 3 1HD1 ILE 3 -3.874 -4.474 0.926 28 HD13 ILE 3 2HD1 ILE 3 -2.737 -5.840 0.742 29 H PHE 4 HN PHE 4 -3.102 -8.242 -1.957 30 HA PHE 4 HA PHE 4 -0.840 -9.287 -0.382 31 HD1 PHE 4 HD2 PHE 4 -0.695 -11.483 -0.903 32 HD2 PHE 4 HD1 PHE 4 -2.627 -10.132 -4.543 33 HE1 PHE 4 HE2 PHE 4 -2.005 -13.579 -0.977 34 HE2 PHE 4 HE1 PHE 4 -3.919 -12.259 -4.619 35 HZ PHE 4 HZ PHE 4 -3.637 -13.938 -2.810 36 HB2 PHE 4 2HB PHE 4 -1.211 -8.674 -3.345 37 HB3 PHE 4 3HB PHE 4 0.181 -9.496 -2.659 38 H VAL 5 HN VAL 5 1.362 -8.286 -0.952 39 HA VAL 5 HA VAL 5 1.226 -5.515 -1.911 40 HB VAL 5 HB VAL 5 2.086 -6.350 0.774 41 HG11 VAL 5 1HG1 VAL 5 3.654 -4.328 -0.833 42 HG12 VAL 5 2HG1 VAL 5 3.718 -4.436 0.948 43 HG13 VAL 5 3HG1 VAL 5 4.300 -5.776 -0.035 44 HG21 VAL 5 3HG2 VAL 5 1.327 -3.612 -0.227 45 HG22 VAL 5 1HG2 VAL 5 0.153 -4.828 0.332 46 HG23 VAL 5 2HG2 VAL 5 1.357 -4.233 1.445 47 H LYS 6 HN LYS 6 2.367 -5.547 -3.666 48 HA LYS 6 HA LYS 6 4.579 -7.490 -4.060 49 HB2 LYS 6 2HB LYS 6 3.294 -5.360 -5.807 50 HB3 LYS 6 3HB LYS 6 4.821 -6.144 -6.243 51 HG2 LYS 6 2HG LYS 6 3.779 -8.332 -6.292 52 HG3 LYS 6 3HG LYS 6 2.262 -7.695 -5.651 53 HD2 LYS 6 2HD LYS 6 2.118 -6.225 -7.691 54 HD3 LYS 6 3HD LYS 6 3.551 -7.064 -8.324 55 HE2 LYS 6 2HE LYS 6 2.365 -9.183 -8.402 56 HE3 LYS 6 3HE LYS 6 0.965 -8.478 -7.576 57 HZ1 LYS 6 3HZ LYS 6 0.704 -6.979 -9.469 58 HZ2 LYS 6 1HZ LYS 6 1.925 -7.755 -10.269 59 HZ3 LYS 6 2HZ LYS 6 0.533 -8.552 -9.912 60 H THR 7 HN THR 7 6.648 -6.954 -3.733 61 HA THR 7 HA THR 7 7.631 -4.283 -3.274 62 HB THR 7 HB THR 7 6.378 -4.583 -1.221 63 HG1 THR 7 HG1 THR 7 8.200 -4.488 0.247 64 HG21 THR 7 3HG2 THR 7 6.329 -7.096 -1.051 65 HG22 THR 7 1HG2 THR 7 8.011 -7.027 -0.469 66 HG23 THR 7 2HG2 THR 7 6.716 -6.247 0.444 67 H LEU 8 HN LEU 8 9.527 -4.569 -4.358 68 HA LEU 8 HA LEU 8 11.356 -5.505 -5.271 69 HG LEU 8 HG LEU 8 14.055 -5.616 -2.775 70 HB2 LEU 8 2HB LEU 8 11.693 -5.266 -2.572 71 HB3 LEU 8 3HB LEU 8 12.061 -6.954 -2.735 72 HD11 LEU 8 1HD1 LEU 8 15.161 -6.225 -4.855 73 HD12 LEU 8 2HD1 LEU 8 14.233 -7.559 -4.179 74 HD13 LEU 8 3HD1 LEU 8 13.605 -6.651 -5.591 75 HD21 LEU 8 3HD2 LEU 8 14.567 -3.875 -4.328 76 HD22 LEU 8 1HD2 LEU 8 13.113 -4.178 -5.286 77 HD23 LEU 8 2HD2 LEU 8 12.992 -3.497 -3.631 78 H THR 9 HN THR 9 12.400 -8.324 -4.190 79 HA THR 9 HA THR 9 11.464 -9.850 -6.358 80 HB THR 9 HB THR 9 12.605 -10.823 -3.691 81 HG1 THR 9 HG1 THR 9 14.634 -10.559 -4.735 82 HG21 THR 9 3HG2 THR 9 13.707 -12.545 -5.195 83 HG22 THR 9 1HG2 THR 9 11.968 -12.704 -5.035 84 HG23 THR 9 2HG2 THR 9 12.646 -11.948 -6.500 85 H GLY 10 HN GLY 10 10.070 -11.722 -6.374 86 HA2 GLY 10 1HA GLY 10 7.601 -11.884 -5.181 87 HA3 GLY 10 2HA GLY 10 8.575 -13.297 -5.656 88 H LYS 11 HN LYS 11 6.945 -12.039 -3.139 89 HA LYS 11 HA LYS 11 8.313 -13.399 -0.993 90 HB2 LYS 11 2HB LYS 11 9.755 -11.362 -1.264 91 HB3 LYS 11 3HB LYS 11 8.351 -10.336 -0.962 92 HG2 LYS 11 2HG LYS 11 8.131 -11.303 1.307 93 HG3 LYS 11 3HG LYS 11 9.498 -12.378 1.000 94 HD2 LYS 11 2HD LYS 11 9.626 -9.322 1.044 95 HD3 LYS 11 3HD LYS 11 10.094 -10.396 2.376 96 HE2 LYS 11 2HE LYS 11 11.804 -11.454 0.835 97 HE3 LYS 11 3HE LYS 11 11.402 -10.235 -0.375 98 HZ1 LYS 11 3HZ LYS 11 13.311 -9.490 0.805 99 HZ2 LYS 11 1HZ LYS 11 12.074 -8.544 1.297 100 HZ3 LYS 11 2HZ LYS 11 12.635 -9.713 2.273 101 H THR 12 HN THR 12 6.223 -10.621 -1.707 102 HA THR 12 HA THR 12 4.277 -9.904 -1.131 103 HB THR 12 HB THR 12 3.710 -12.327 -2.103 104 HG1 THR 12 HG1 THR 12 1.795 -11.551 -2.385 105 HG21 THR 12 3HG2 THR 12 3.557 -13.461 0.149 106 HG22 THR 12 1HG2 THR 12 2.202 -12.381 0.559 107 HG23 THR 12 2HG2 THR 12 2.079 -13.506 -0.801 108 H ILE 13 HN ILE 13 2.538 -9.770 0.536 109 HA ILE 13 HA ILE 13 2.925 -10.920 3.103 110 HB ILE 13 HB ILE 13 4.600 -9.183 3.219 111 HG12 ILE 13 2HG1 ILE 13 2.288 -8.251 4.937 112 HG13 ILE 13 3HG1 ILE 13 3.075 -9.824 5.173 113 HG21 ILE 13 1HG2 ILE 13 3.711 -7.568 1.586 114 HG22 ILE 13 2HG2 ILE 13 2.437 -7.112 2.763 115 HG23 ILE 13 3HG2 ILE 13 4.150 -6.798 3.094 116 HD11 ILE 13 3HD1 ILE 13 4.165 -8.195 6.574 117 HD12 ILE 13 1HD1 ILE 13 5.285 -8.735 5.330 118 HD13 ILE 13 2HD1 ILE 13 4.512 -7.140 5.202 119 H THR 14 HN THR 14 0.858 -10.628 4.352 120 HA THR 14 HA THR 14 -1.338 -9.894 2.505 121 HB THR 14 HB THR 14 -2.826 -10.841 4.144 122 HG1 THR 14 HG1 THR 14 -0.804 -11.980 5.650 123 HG21 THR 14 3HG2 THR 14 -2.253 -13.157 3.849 124 HG22 THR 14 1HG2 THR 14 -1.803 -12.256 2.399 125 HG23 THR 14 2HG2 THR 14 -0.551 -12.755 3.552 126 H LEU 15 HN LEU 15 -3.045 -8.541 3.290 127 HA LEU 15 HA LEU 15 -2.317 -6.631 5.423 128 HG LEU 15 HG LEU 15 -1.221 -4.131 3.005 129 HB2 LEU 15 2HB LEU 15 -1.808 -6.327 2.681 130 HB3 LEU 15 3HB LEU 15 -3.326 -5.470 2.879 131 HD11 LEU 15 1HD1 LEU 15 -1.895 -2.755 4.936 132 HD12 LEU 15 2HD1 LEU 15 -3.230 -3.158 3.871 133 HD13 LEU 15 3HD1 LEU 15 -3.048 -4.017 5.428 134 HD21 LEU 15 3HD2 LEU 15 -0.812 -5.376 5.757 135 HD22 LEU 15 1HD2 LEU 15 0.140 -5.761 4.301 136 HD23 LEU 15 2HD2 LEU 15 0.136 -4.136 5.015 137 H GLU 16 HN GLU 16 -3.906 -6.787 6.769 138 HA GLU 16 HA GLU 16 -6.677 -6.974 5.779 139 HB2 GLU 16 2HB GLU 16 -5.515 -7.118 8.573 140 HB3 GLU 16 3HB GLU 16 -7.253 -7.042 8.167 141 HG2 GLU 16 2HG GLU 16 -6.808 -9.016 6.554 142 HG3 GLU 16 3HG GLU 16 -5.235 -9.188 7.329 143 H VAL 17 HN VAL 17 -7.738 -5.283 5.401 144 HA VAL 17 HA VAL 17 -7.505 -2.648 6.374 145 HB VAL 17 HB VAL 17 -5.716 -2.204 4.949 146 HG11 VAL 17 1HG1 VAL 17 -5.246 -4.294 4.009 147 HG12 VAL 17 2HG1 VAL 17 -6.715 -4.303 3.005 148 HG13 VAL 17 3HG1 VAL 17 -5.359 -3.194 2.666 149 HG21 VAL 17 3HG2 VAL 17 -7.580 -0.812 4.024 150 HG22 VAL 17 1HG2 VAL 17 -6.328 -1.161 2.859 151 HG23 VAL 17 2HG2 VAL 17 -7.874 -2.034 2.799 152 H GLU 18 HN GLU 18 -9.290 -1.500 5.049 153 HA GLU 18 HA GLU 18 -11.421 -3.405 4.243 154 HB2 GLU 18 2HB GLU 18 -12.988 -1.735 5.404 155 HB3 GLU 18 3HB GLU 18 -12.139 -2.870 6.413 156 HG2 GLU 18 2HG GLU 18 -11.050 -0.080 5.907 157 HG3 GLU 18 3HG GLU 18 -12.282 -0.386 7.111 158 HA PRO 19 HA PRO 19 -11.741 -0.556 0.953 159 HB2 PRO 19 2HB PRO 19 -14.262 -0.919 0.052 160 HB3 PRO 19 3HB PRO 19 -13.095 -2.250 0.094 161 HG2 PRO 19 2HG PRO 19 -15.192 -1.593 2.197 162 HG3 PRO 19 3HG PRO 19 -14.942 -3.159 1.336 163 HD2 PRO 19 2HD PRO 19 -13.837 -2.686 3.750 164 HD3 PRO 19 3HD PRO 19 -12.932 -3.577 2.504 165 H SER 20 HN SER 20 -11.837 0.734 3.398 166 HA SER 20 HA SER 20 -13.625 3.087 3.029 167 HG SER 20 HG SER 20 -14.902 0.461 5.336 168 HB2 SER 20 2HB SER 20 -13.173 1.600 5.646 169 HB3 SER 20 3HB SER 20 -14.298 2.896 5.347 170 H ASP 21 HN ASP 21 -10.610 1.605 3.861 171 HA ASP 21 HA ASP 21 -9.539 3.207 5.775 172 HB2 ASP 21 2HB ASP 21 -8.783 1.059 4.069 173 HB3 ASP 21 3HB ASP 21 -7.528 2.267 3.992 174 H THR 22 HN THR 22 -7.928 4.947 5.837 175 HA THR 22 HA THR 22 -7.992 6.709 3.476 176 HB THR 22 HB THR 22 -6.497 8.164 4.810 177 HG1 THR 22 HG1 THR 22 -6.358 7.674 7.057 178 HG21 THR 22 3HG2 THR 22 -8.974 8.417 4.873 179 HG22 THR 22 1HG2 THR 22 -9.032 7.386 6.323 180 HG23 THR 22 2HG2 THR 22 -8.189 8.957 6.343 181 H ILE 23 HN ILE 23 -5.788 7.465 2.620 182 HA ILE 23 HA ILE 23 -4.185 5.113 1.970 183 HB ILE 23 HB ILE 23 -3.567 8.043 1.534 184 HG12 ILE 23 2HG1 ILE 23 -5.668 7.629 0.414 185 HG13 ILE 23 3HG1 ILE 23 -4.397 7.713 -0.783 186 HG21 ILE 23 1HG2 ILE 23 -2.055 7.283 -0.239 187 HG22 ILE 23 2HG2 ILE 23 -1.569 6.723 1.357 188 HG23 ILE 23 3HG2 ILE 23 -2.347 5.590 0.254 189 HD11 ILE 23 3HD1 ILE 23 -5.523 5.859 -1.537 190 HD12 ILE 23 1HD1 ILE 23 -4.381 5.088 -0.537 191 HD13 ILE 23 2HD1 ILE 23 -6.022 5.332 0.105 192 H GLU 24 HN GLU 24 -3.902 7.962 4.213 193 HA GLU 24 HA GLU 24 -1.247 7.409 4.965 194 HB2 GLU 24 2HB GLU 24 -2.387 9.516 5.258 195 HB3 GLU 24 3HB GLU 24 -3.466 8.828 6.479 196 HG2 GLU 24 2HG GLU 24 -1.834 8.882 8.121 197 HG3 GLU 24 3HG GLU 24 -0.535 8.547 6.964 198 H ASN 25 HN ASN 25 -4.273 6.020 6.222 199 HA ASN 25 HA ASN 25 -2.903 4.676 8.427 200 HB2 ASN 25 2HB ASN 25 -5.383 5.242 8.240 201 HB3 ASN 25 3HB ASN 25 -5.560 3.888 7.152 202 HD21 ASN 25 1HD2 ASN 25 -3.361 2.369 9.001 203 HD22 ASN 25 2HD2 ASN 25 -4.250 2.078 10.485 204 H VAL 26 HN VAL 26 -3.920 3.739 5.051 205 HA VAL 26 HA VAL 26 -3.137 0.976 5.436 206 HB VAL 26 HB VAL 26 -3.588 2.701 3.001 207 HG11 VAL 26 1HG1 VAL 26 -2.299 0.980 2.004 208 HG12 VAL 26 2HG1 VAL 26 -2.868 -0.262 3.167 209 HG13 VAL 26 3HG1 VAL 26 -3.914 0.350 1.870 210 HG21 VAL 26 3HG2 VAL 26 -5.169 0.412 4.269 211 HG22 VAL 26 1HG2 VAL 26 -5.489 2.124 4.533 212 HG23 VAL 26 2HG2 VAL 26 -5.688 1.435 2.914 213 H LYS 27 HN LYS 27 -1.447 3.807 4.102 214 HA LYS 27 HA LYS 27 1.137 2.906 3.641 215 HB2 LYS 27 2HB LYS 27 0.745 5.217 3.250 216 HB3 LYS 27 3HB LYS 27 -0.183 5.407 4.725 217 HG2 LYS 27 2HG LYS 27 1.800 5.430 6.055 218 HG3 LYS 27 3HG LYS 27 2.775 5.090 4.629 219 HD2 LYS 27 2HD LYS 27 1.087 7.596 4.821 220 HD3 LYS 27 3HD LYS 27 2.710 7.483 5.531 221 HE2 LYS 27 2HE LYS 27 3.612 6.799 3.299 222 HE3 LYS 27 3HE LYS 27 2.024 7.090 2.583 223 HZ1 LYS 27 3HZ LYS 27 3.734 9.139 3.916 224 HZ2 LYS 27 1HZ LYS 27 3.494 9.003 2.320 225 HZ3 LYS 27 2HZ LYS 27 2.244 9.423 3.332 226 H ALA 28 HN ALA 28 -0.321 3.781 6.796 227 HA ALA 28 HA ALA 28 1.921 3.062 8.384 228 HB1 ALA 28 1HB ALA 28 0.200 4.634 9.104 229 HB2 ALA 28 2HB ALA 28 -0.980 3.330 9.190 230 HB3 ALA 28 3HB ALA 28 0.442 3.328 10.253 231 H LYS 29 HN LYS 29 -0.997 1.177 7.562 232 HA LYS 29 HA LYS 29 -0.426 -1.104 9.182 233 HB2 LYS 29 2HB LYS 29 -1.781 -0.878 6.449 234 HB3 LYS 29 3HB LYS 29 -1.615 -2.407 7.339 235 HG2 LYS 29 2HG LYS 29 -2.898 -1.547 9.200 236 HG3 LYS 29 3HG LYS 29 -3.022 0.043 8.454 237 HD2 LYS 29 2HD LYS 29 -3.867 -2.066 6.572 238 HD3 LYS 29 3HD LYS 29 -4.734 -2.179 8.110 239 HE2 LYS 29 2HE LYS 29 -4.511 0.416 6.538 240 HE3 LYS 29 3HE LYS 29 -5.828 -0.744 6.351 241 HZ1 LYS 29 3HZ LYS 29 -6.510 0.919 7.749 242 HZ2 LYS 29 1HZ LYS 29 -6.394 -0.401 8.671 243 HZ3 LYS 29 2HZ LYS 29 -5.241 0.802 8.786 244 H ILE 30 HN ILE 30 0.563 -0.292 5.823 245 HA ILE 30 HA ILE 30 2.095 -2.703 5.684 246 HB ILE 30 HB ILE 30 3.374 -1.037 3.883 247 HG12 ILE 30 2HG1 ILE 30 1.459 0.643 4.053 248 HG13 ILE 30 3HG1 ILE 30 2.068 0.062 2.523 249 HG21 ILE 30 1HG2 ILE 30 2.841 -3.391 3.735 250 HG22 ILE 30 2HG2 ILE 30 1.116 -3.018 3.493 251 HG23 ILE 30 3HG2 ILE 30 2.327 -2.501 2.310 252 HD11 ILE 30 3HD1 ILE 30 -0.432 -1.090 3.804 253 HD12 ILE 30 1HD1 ILE 30 -0.409 0.216 2.601 254 HD13 ILE 30 2HD1 ILE 30 0.154 -1.394 2.170 255 H GLN 31 HN GLN 31 3.019 0.615 6.613 256 HA GLN 31 HA GLN 31 5.748 0.383 6.771 257 HB2 GLN 31 2HB GLN 31 3.639 1.851 8.205 258 HB3 GLN 31 3HB GLN 31 4.990 1.509 9.236 259 HG2 GLN 31 2HG GLN 31 6.000 3.288 8.508 260 HG3 GLN 31 3HG GLN 31 6.213 2.575 6.939 261 HE21 GLN 31 1HE2 GLN 31 3.794 4.291 8.946 262 HE22 GLN 31 2HE2 GLN 31 3.124 5.274 7.635 263 H ASP 32 HN ASP 32 3.477 -0.590 9.349 264 HA ASP 32 HA ASP 32 5.478 -1.857 10.960 265 HB2 ASP 32 2HB ASP 32 2.445 -1.865 10.947 266 HB3 ASP 32 3HB ASP 32 3.327 -2.984 11.989 267 H LYS 33 HN LYS 33 3.193 -3.183 8.555 268 HA LYS 33 HA LYS 33 3.729 -5.930 8.995 269 HB2 LYS 33 2HB LYS 33 2.318 -4.344 7.026 270 HB3 LYS 33 3HB LYS 33 3.353 -5.428 6.154 271 HG2 LYS 33 2HG LYS 33 1.381 -6.591 6.344 272 HG3 LYS 33 3HG LYS 33 2.362 -7.315 7.617 273 HD2 LYS 33 2HD LYS 33 1.169 -6.021 9.329 274 HD3 LYS 33 3HD LYS 33 0.262 -5.136 8.068 275 HE2 LYS 33 2HE LYS 33 -0.671 -7.264 7.215 276 HE3 LYS 33 3HE LYS 33 0.259 -8.159 8.406 277 HZ1 LYS 33 3HZ LYS 33 -1.948 -7.948 9.169 278 HZ2 LYS 33 1HZ LYS 33 -1.066 -6.978 10.146 279 HZ3 LYS 33 2HZ LYS 33 -1.984 -6.336 8.936 280 H GLU 34 HN GLU 34 5.327 -3.678 6.729 281 HA GLU 34 HA GLU 34 7.305 -5.669 5.877 282 HB2 GLU 34 2HB GLU 34 6.346 -2.956 5.050 283 HB3 GLU 34 3HB GLU 34 8.008 -3.288 4.694 284 HG2 GLU 34 2HG GLU 34 6.067 -5.461 3.960 285 HG3 GLU 34 3HG GLU 34 5.983 -3.953 3.046 286 H GLY 35 HN GLY 35 7.126 -3.892 8.660 287 HA2 GLY 35 1HA GLY 35 8.671 -3.634 10.304 288 HA3 GLY 35 2HA GLY 35 9.839 -4.508 9.297 289 H ILE 36 HN ILE 36 8.141 -1.414 8.573 290 HA ILE 36 HA ILE 36 10.767 -0.077 8.331 291 HB ILE 36 HB ILE 36 10.255 -1.112 6.281 292 HG12 ILE 36 2HG1 ILE 36 9.770 1.866 6.093 293 HG13 ILE 36 3HG1 ILE 36 11.332 1.059 6.302 294 HG21 ILE 36 1HG2 ILE 36 7.656 0.369 6.098 295 HG22 ILE 36 2HG2 ILE 36 8.342 -0.754 4.896 296 HG23 ILE 36 3HG2 ILE 36 7.804 -1.379 6.436 297 HD11 ILE 36 3HD1 ILE 36 10.839 -0.236 4.166 298 HD12 ILE 36 1HD1 ILE 36 9.494 0.878 3.871 299 HD13 ILE 36 2HD1 ILE 36 11.149 1.480 3.969 300 HA PRO 37 HA PRO 37 8.152 3.165 10.151 301 HB2 PRO 37 2HB PRO 37 10.098 5.045 10.658 302 HB3 PRO 37 3HB PRO 37 9.861 3.572 11.648 303 HG2 PRO 37 2HG PRO 37 11.861 4.059 9.443 304 HG3 PRO 37 3HG PRO 37 12.120 3.293 11.051 305 HD2 PRO 37 2HD PRO 37 11.727 1.849 8.732 306 HD3 PRO 37 3HD PRO 37 11.244 1.266 10.346 307 HA PRO 38 HA PRO 38 6.762 5.231 6.853 308 HB2 PRO 38 2HB PRO 38 6.227 7.912 7.599 309 HB3 PRO 38 3HB PRO 38 5.255 6.501 8.028 310 HG2 PRO 38 2HG PRO 38 7.437 7.827 9.607 311 HG3 PRO 38 3HG PRO 38 5.840 7.250 10.196 312 HD2 PRO 38 2HD PRO 38 8.054 5.815 10.622 313 HD3 PRO 38 3HD PRO 38 6.571 4.979 10.089 314 H ASP 39 HN ASP 39 9.778 6.671 7.641 315 HA ASP 39 HA ASP 39 9.816 8.804 5.769 316 HB2 ASP 39 2HB ASP 39 11.670 7.553 7.559 317 HB3 ASP 39 3HB ASP 39 12.422 7.541 5.975 318 H GLN 40 HN GLN 40 9.796 5.390 5.225 319 HA GLN 40 HA GLN 40 10.168 5.641 2.354 320 HB2 GLN 40 2HB GLN 40 12.406 5.199 3.543 321 HB3 GLN 40 3HB GLN 40 11.779 3.610 3.945 322 HG2 GLN 40 2HG GLN 40 11.721 2.960 1.632 323 HG3 GLN 40 3HG GLN 40 11.823 4.645 1.085 324 HE21 GLN 40 1HE2 GLN 40 13.937 5.864 1.804 325 HE22 GLN 40 2HE2 GLN 40 15.400 4.931 1.925 326 H GLN 41 HN GLN 41 8.553 4.483 1.494 327 HA GLN 41 HA GLN 41 7.191 2.299 1.733 328 HB2 GLN 41 2HB GLN 41 6.521 3.805 4.239 329 HB3 GLN 41 3HB GLN 41 5.158 3.244 3.320 330 HG2 GLN 41 2HG GLN 41 7.381 1.425 4.176 331 HG3 GLN 41 3HG GLN 41 5.871 1.689 5.063 332 HE21 GLN 41 1HE2 GLN 41 6.491 -0.861 4.466 333 HE22 GLN 41 2HE2 GLN 41 5.504 -1.433 3.130 334 H ARG 42 HN ARG 42 6.468 2.747 -0.295 335 HA ARG 42 HA ARG 42 5.371 5.481 -0.819 336 HE ARG 42 HE ARG 42 7.851 8.288 -3.362 337 HB2 ARG 42 2HB ARG 42 7.674 4.224 -1.842 338 HB3 ARG 42 3HB ARG 42 6.460 3.985 -3.084 339 HG2 ARG 42 2HG ARG 42 7.793 5.919 -3.535 340 HG3 ARG 42 3HG ARG 42 6.108 6.362 -3.299 341 HD2 ARG 42 2HD ARG 42 6.605 7.203 -1.048 342 HD3 ARG 42 3HD ARG 42 8.276 6.604 -1.160 343 HH11 ARG 42 2HH2 ARG 42 7.681 8.744 0.142 344 HH12 ARG 42 1HH2 ARG 42 8.268 10.361 0.128 345 HH21 ARG 42 2HH1 ARG 42 8.525 10.351 -3.457 346 HH22 ARG 42 1HH1 ARG 42 8.557 11.404 -2.065 347 H LEU 43 HN LEU 43 3.237 5.054 -0.512 348 HA LEU 43 HA LEU 43 1.996 2.718 -1.709 349 HG LEU 43 HG LEU 43 -0.228 2.274 -0.542 350 HB2 LEU 43 2HB LEU 43 1.370 4.711 0.362 351 HB3 LEU 43 3HB LEU 43 0.063 4.656 -0.803 352 HD11 LEU 43 1HD1 LEU 43 1.816 2.323 1.688 353 HD12 LEU 43 2HD1 LEU 43 1.048 0.932 0.876 354 HD13 LEU 43 3HD1 LEU 43 2.337 1.877 0.110 355 HD21 LEU 43 3HD2 LEU 43 -1.535 3.483 0.951 356 HD22 LEU 43 1HD2 LEU 43 -0.675 2.367 1.997 357 HD23 LEU 43 2HD2 LEU 43 -0.166 4.061 1.876 358 H ILE 44 HN ILE 44 0.806 2.582 -3.509 359 HA ILE 44 HA ILE 44 0.072 4.883 -5.096 360 HB ILE 44 HB ILE 44 2.453 4.180 -5.697 361 HG12 ILE 44 2HG1 ILE 44 1.981 3.601 -8.203 362 HG13 ILE 44 3HG1 ILE 44 0.310 3.961 -7.822 363 HG21 ILE 44 1HG2 ILE 44 1.131 1.642 -6.626 364 HG22 ILE 44 2HG2 ILE 44 2.850 2.072 -6.792 365 HG23 ILE 44 3HG2 ILE 44 2.178 1.810 -5.190 366 HD11 ILE 44 3HD1 ILE 44 1.176 6.245 -6.958 367 HD12 ILE 44 1HD1 ILE 44 2.780 5.724 -7.450 368 HD13 ILE 44 2HD1 ILE 44 1.551 5.921 -8.685 369 H PHE 45 HN PHE 45 -1.743 4.010 -6.586 370 HA PHE 45 HA PHE 45 -2.493 1.183 -6.155 371 HD1 PHE 45 HD2 PHE 45 -2.533 3.091 -3.343 372 HD2 PHE 45 HD1 PHE 45 -5.871 0.706 -4.562 373 HE1 PHE 45 HE2 PHE 45 -2.567 2.052 -1.122 374 HE2 PHE 45 HE1 PHE 45 -5.931 -0.284 -2.267 375 HZ PHE 45 HZ PHE 45 -4.305 0.354 -0.580 376 HB2 PHE 45 2HB PHE 45 -4.310 3.561 -5.530 377 HB3 PHE 45 3HB PHE 45 -4.940 2.048 -6.094 378 H ALA 46 HN ALA 46 -3.628 0.408 -7.968 379 HA ALA 46 HA ALA 46 -3.732 0.086 -10.136 380 HB1 ALA 46 1HB ALA 46 -5.902 1.125 -9.742 381 HB2 ALA 46 2HB ALA 46 -5.235 2.743 -10.065 382 HB3 ALA 46 3HB ALA 46 -5.309 1.520 -11.359 383 H GLY 47 HN GLY 47 -3.463 3.585 -10.670 384 HA2 GLY 47 1HA GLY 47 -0.645 3.657 -10.862 385 HA3 GLY 47 2HA GLY 47 -1.339 3.603 -12.496 386 H LYS 48 HN LYS 48 -2.174 5.285 -9.387 387 HA LYS 48 HA LYS 48 -2.555 7.790 -10.980 388 HB2 LYS 48 2HB LYS 48 -4.102 8.513 -9.289 389 HB3 LYS 48 3HB LYS 48 -4.614 6.969 -9.970 390 HG2 LYS 48 2HG LYS 48 -3.911 5.818 -7.957 391 HG3 LYS 48 3HG LYS 48 -3.181 7.256 -7.298 392 HD2 LYS 48 2HD LYS 48 -6.136 7.157 -7.924 393 HD3 LYS 48 3HD LYS 48 -5.467 6.542 -6.413 394 HE2 LYS 48 2HE LYS 48 -5.488 8.607 -5.565 395 HE3 LYS 48 3HE LYS 48 -4.191 9.025 -6.686 396 HZ1 LYS 48 3HZ LYS 48 -6.096 10.528 -6.776 397 HZ2 LYS 48 1HZ LYS 48 -5.787 9.862 -8.229 398 HZ3 LYS 48 2HZ LYS 48 -7.055 9.312 -7.337 399 H GLN 49 HN GLN 49 -2.383 9.780 -9.173 400 HA GLN 49 HA GLN 49 0.327 9.741 -8.145 401 HB2 GLN 49 2HB GLN 49 -0.261 11.899 -7.083 402 HB3 GLN 49 3HB GLN 49 -0.463 11.809 -8.817 403 HG2 GLN 49 2HG GLN 49 -3.034 11.215 -7.919 404 HG3 GLN 49 3HG GLN 49 -2.463 12.355 -6.709 405 HE21 GLN 49 1HE2 GLN 49 -2.289 14.564 -7.329 406 HE22 GLN 49 2HE2 GLN 49 -3.001 15.096 -8.865 407 H LEU 50 HN LEU 50 -2.587 10.247 -6.153 408 HA LEU 50 HA LEU 50 -3.552 8.879 -4.518 409 HG LEU 50 HG LEU 50 -3.126 7.335 -2.452 410 HB2 LEU 50 2HB LEU 50 -1.936 6.976 -5.178 411 HB3 LEU 50 3HB LEU 50 -0.902 7.568 -3.899 412 HD11 LEU 50 1HD1 LEU 50 -4.701 6.810 -4.190 413 HD12 LEU 50 2HD1 LEU 50 -3.622 5.585 -4.912 414 HD13 LEU 50 3HD1 LEU 50 -4.409 5.284 -3.360 415 HD21 LEU 50 3HD2 LEU 50 -1.457 5.004 -3.430 416 HD22 LEU 50 1HD2 LEU 50 -1.061 6.095 -2.101 417 HD23 LEU 50 2HD2 LEU 50 -2.450 4.991 -1.957 418 H GLU 51 HN GLU 51 -3.175 11.408 -4.134 419 HA GLU 51 HA GLU 51 -1.159 11.988 -2.079 420 HB2 GLU 51 2HB GLU 51 -3.095 13.644 -3.716 421 HB3 GLU 51 3HB GLU 51 -2.055 14.331 -2.465 422 HG2 GLU 51 2HG GLU 51 -0.041 13.639 -3.611 423 HG3 GLU 51 3HG GLU 51 -0.988 12.761 -4.833 424 H ASP 52 HN ASP 52 -2.709 10.258 -0.947 425 HA ASP 52 HA ASP 52 -4.631 9.672 0.193 426 HB2 ASP 52 2HB ASP 52 -2.811 10.110 1.821 427 HB3 ASP 52 3HB ASP 52 -3.513 11.689 2.141 428 H GLY 53 HN GLY 53 -5.749 10.942 -1.620 429 HA2 GLY 53 1HA GLY 53 -7.152 13.361 -0.711 430 HA3 GLY 53 2HA GLY 53 -7.149 12.631 -2.323 431 H ARG 54 HN ARG 54 -8.294 10.612 -2.608 432 HA ARG 54 HA ARG 54 -10.945 10.696 -1.345 433 HE ARG 54 HE ARG 54 -11.663 13.196 -2.960 434 HB2 ARG 54 2HB ARG 54 -9.611 9.150 -3.634 435 HB3 ARG 54 3HB ARG 54 -11.257 8.891 -3.116 436 HG2 ARG 54 2HG ARG 54 -10.257 11.527 -4.190 437 HG3 ARG 54 3HG ARG 54 -11.180 10.265 -5.042 438 HD2 ARG 54 2HD ARG 54 -12.868 11.627 -4.374 439 HD3 ARG 54 3HD ARG 54 -12.889 10.453 -3.106 440 HH11 ARG 54 2HH2 ARG 54 -13.623 10.629 -1.461 441 HH12 ARG 54 1HH2 ARG 54 -13.642 11.384 0.108 442 HH21 ARG 54 2HH1 ARG 54 -11.651 14.174 -0.829 443 HH22 ARG 54 1HH1 ARG 54 -12.744 13.557 0.351 444 H THR 55 HN THR 55 -11.977 8.286 -0.992 445 HA THR 55 HA THR 55 -10.157 7.220 1.093 446 HB THR 55 HB THR 55 -12.072 6.128 1.998 447 HG1 THR 55 HG1 THR 55 -14.143 6.508 0.912 448 HG21 THR 55 3HG2 THR 55 -13.053 8.880 1.130 449 HG22 THR 55 1HG2 THR 55 -13.549 7.948 2.555 450 HG23 THR 55 2HG2 THR 55 -11.906 8.581 2.456 451 H LEU 56 HN LEU 56 -10.168 4.753 1.357 452 HA LEU 56 HA LEU 56 -9.522 3.226 -0.932 453 HG LEU 56 HG LEU 56 -8.475 1.212 1.950 454 HB2 LEU 56 2HB LEU 56 -10.150 2.804 1.875 455 HB3 LEU 56 3HB LEU 56 -10.800 1.523 0.962 456 HD11 LEU 56 1HD1 LEU 56 -9.405 -0.334 0.517 457 HD12 LEU 56 2HD1 LEU 56 -9.238 0.715 -0.904 458 HD13 LEU 56 3HD1 LEU 56 -7.808 -0.035 -0.137 459 HD21 LEU 56 3HD2 LEU 56 -6.563 1.894 0.749 460 HD22 LEU 56 1HD2 LEU 56 -7.501 2.761 -0.481 461 HD23 LEU 56 2HD2 LEU 56 -7.448 3.363 1.203 462 H SER 57 HN SER 57 -12.723 4.200 0.190 463 HA SER 57 HA SER 57 -14.154 2.130 -1.277 464 HG SER 57 HG SER 57 -15.337 2.131 0.789 465 HB2 SER 57 2HB SER 57 -14.794 4.337 0.542 466 HB3 SER 57 3HB SER 57 -15.842 4.381 -0.886 467 H ASP 58 HN ASP 58 -12.517 5.071 -2.127 468 HA ASP 58 HA ASP 58 -14.121 5.492 -4.578 469 HB2 ASP 58 2HB ASP 58 -11.941 7.019 -3.208 470 HB3 ASP 58 3HB ASP 58 -12.721 7.573 -4.687 471 H TYR 59 HN TYR 59 -10.715 4.846 -3.474 472 HA TYR 59 HA TYR 59 -9.741 4.496 -6.195 473 HD1 TYR 59 HD2 TYR 59 -8.015 6.273 -5.942 474 HD2 TYR 59 HD1 TYR 59 -8.194 4.647 -1.949 475 HE1 TYR 59 HE2 TYR 59 -7.386 8.494 -4.990 476 HE2 TYR 59 HE1 TYR 59 -7.645 6.822 -1.015 477 HH TYR 59 HH TYR 59 -7.256 8.958 -1.478 478 HB2 TYR 59 2HB TYR 59 -8.556 3.233 -3.717 479 HB3 TYR 59 3HB TYR 59 -7.743 3.596 -5.255 480 H ASN 60 HN ASN 60 -11.447 2.609 -3.965 481 HA ASN 60 HA ASN 60 -12.085 0.467 -3.758 482 HB2 ASN 60 2HB ASN 60 -13.840 1.772 -4.871 483 HB3 ASN 60 3HB ASN 60 -13.231 1.225 -6.433 484 HD21 ASN 60 1HD2 ASN 60 -14.494 -0.041 -3.273 485 HD22 ASN 60 2HD2 ASN 60 -15.179 -1.481 -3.996 486 H ILE 61 HN ILE 61 -11.071 -1.361 -3.711 487 HA ILE 61 HA ILE 61 -10.242 -2.694 -6.170 488 HB ILE 61 HB ILE 61 -7.980 -2.961 -5.107 489 HG12 ILE 61 2HG1 ILE 61 -8.426 -1.931 -2.834 490 HG13 ILE 61 3HG1 ILE 61 -7.058 -1.289 -3.750 491 HG21 ILE 61 1HG2 ILE 61 -6.994 -0.884 -5.992 492 HG22 ILE 61 2HG2 ILE 61 -8.142 -1.657 -7.070 493 HG23 ILE 61 3HG2 ILE 61 -8.648 -0.231 -6.213 494 HD11 ILE 61 3HD1 ILE 61 -8.352 0.765 -4.320 495 HD12 ILE 61 1HD1 ILE 61 -9.595 0.217 -3.192 496 HD13 ILE 61 2HD1 ILE 61 -7.960 0.548 -2.635 497 H GLN 62 HN GLN 62 -10.159 -4.888 -5.886 498 HA GLN 62 HA GLN 62 -10.212 -6.055 -3.158 499 HB2 GLN 62 2HB GLN 62 -12.245 -6.624 -5.368 500 HB3 GLN 62 3HB GLN 62 -12.059 -7.589 -3.922 501 HG2 GLN 62 2HG GLN 62 -12.870 -4.648 -3.907 502 HG3 GLN 62 3HG GLN 62 -13.978 -6.001 -3.877 503 HE21 GLN 62 1HE2 GLN 62 -11.905 -4.043 -1.919 504 HE22 GLN 62 2HE2 GLN 62 -12.269 -4.831 -0.397 505 H LYS 63 HN LYS 63 -8.521 -7.456 -3.210 506 HA LYS 63 HA LYS 63 -6.901 -8.822 -3.815 507 HB2 LYS 63 2HB LYS 63 -8.983 -10.126 -4.579 508 HB3 LYS 63 3HB LYS 63 -8.530 -9.665 -6.217 509 HG2 LYS 63 2HG LYS 63 -6.271 -10.781 -5.769 510 HG3 LYS 63 3HG LYS 63 -6.932 -11.320 -4.233 511 HD2 LYS 63 2HD LYS 63 -7.106 -13.109 -5.788 512 HD3 LYS 63 3HD LYS 63 -8.746 -12.541 -5.498 513 HE2 LYS 63 2HE LYS 63 -7.282 -11.220 -7.761 514 HE3 LYS 63 3HE LYS 63 -7.585 -12.947 -7.980 515 HZ1 LYS 63 3HZ LYS 63 -9.761 -11.039 -7.336 516 HZ2 LYS 63 1HZ LYS 63 -9.292 -11.450 -8.855 517 HZ3 LYS 63 2HZ LYS 63 -9.894 -12.597 -7.816 518 H GLU 64 HN GLU 64 -8.047 -7.022 -6.723 519 HA GLU 64 HA GLU 64 -5.351 -7.046 -7.906 520 HB2 GLU 64 2HB GLU 64 -8.121 -6.160 -8.658 521 HB3 GLU 64 3HB GLU 64 -6.756 -5.335 -9.446 522 HG2 GLU 64 2HG GLU 64 -5.827 -7.466 -10.173 523 HG3 GLU 64 3HG GLU 64 -7.040 -8.372 -9.244 524 H SER 65 HN SER 65 -6.727 -5.477 -5.412 525 HA SER 65 HA SER 65 -5.771 -2.846 -5.344 526 HG SER 65 HG SER 65 -4.888 -2.913 -2.397 527 HB2 SER 65 2HB SER 65 -7.126 -4.170 -3.627 528 HB3 SER 65 3HB SER 65 -5.685 -4.978 -3.156 529 H THR 66 HN THR 66 -3.948 -5.390 -3.644 530 HA THR 66 HA THR 66 -1.859 -5.927 -3.412 531 HB THR 66 HB THR 66 -1.780 -5.485 -6.387 532 HG1 THR 66 HG1 THR 66 -2.988 -7.377 -4.756 533 HG21 THR 66 3HG2 THR 66 -0.100 -7.223 -4.556 534 HG22 THR 66 1HG2 THR 66 -0.290 -7.552 -6.294 535 HG23 THR 66 2HG2 THR 66 0.431 -6.030 -5.748 536 H LEU 67 HN LEU 67 -2.226 -2.842 -4.706 537 HA LEU 67 HA LEU 67 -1.290 -0.998 -4.961 538 HG LEU 67 HG LEU 67 0.993 -1.891 -2.263 539 HB2 LEU 67 2HB LEU 67 -1.236 0.036 -3.014 540 HB3 LEU 67 3HB LEU 67 -1.688 -1.523 -2.434 541 HD11 LEU 67 1HD1 LEU 67 0.524 1.108 -2.185 542 HD12 LEU 67 2HD1 LEU 67 1.870 0.338 -1.315 543 HD13 LEU 67 3HD1 LEU 67 1.803 0.260 -3.045 544 HD21 LEU 67 3HD2 LEU 67 -0.733 -0.366 -0.332 545 HD22 LEU 67 1HD2 LEU 67 -0.635 -2.134 -0.509 546 HD23 LEU 67 2HD2 LEU 67 0.782 -1.225 0.036 547 H HIS 68 HN HIS 68 1.296 -3.316 -4.420 548 HA HIS 68 HA HIS 68 3.468 -3.280 -5.020 549 HD1 HIS 68 HD1 HIS 68 0.371 -3.530 -7.509 550 HD2 HIS 68 HD2 HIS 68 2.310 0.175 -7.966 551 HE1 HIS 68 HE1 HIS 68 -1.383 -1.904 -8.379 552 HB2 HIS 68 2HB HIS 68 3.876 -1.873 -7.255 553 HB3 HIS 68 3HB HIS 68 3.131 -3.456 -7.210 554 H LEU 69 HN LEU 69 4.503 -2.455 -3.292 555 HA LEU 69 HA LEU 69 4.756 0.391 -2.792 556 HG LEU 69 HG LEU 69 5.078 -2.792 -1.136 557 HB2 LEU 69 2HB LEU 69 6.886 -1.538 -1.942 558 HB3 LEU 69 3HB LEU 69 6.353 -0.061 -1.176 559 HD11 LEU 69 1HD1 LEU 69 5.488 -2.592 1.300 560 HD12 LEU 69 2HD1 LEU 69 6.974 -2.455 0.352 561 HD13 LEU 69 3HD1 LEU 69 6.247 -1.000 1.010 562 HD21 LEU 69 3HD2 LEU 69 3.391 -1.816 0.463 563 HD22 LEU 69 1HD2 LEU 69 3.923 -0.199 -0.061 564 HD23 LEU 69 2HD2 LEU 69 3.199 -1.352 -1.223 565 H VAL 70 HN VAL 70 5.758 1.721 -4.167 566 HA VAL 70 HA VAL 70 7.613 0.638 -6.214 567 HB VAL 70 HB VAL 70 7.071 2.885 -7.334 568 HG11 VAL 70 1HG1 VAL 70 6.350 0.787 -8.258 569 HG12 VAL 70 2HG1 VAL 70 4.982 0.699 -7.143 570 HG13 VAL 70 3HG1 VAL 70 5.030 1.961 -8.380 571 HG21 VAL 70 3HG2 VAL 70 5.959 4.015 -5.457 572 HG22 VAL 70 1HG2 VAL 70 4.883 3.867 -6.859 573 HG23 VAL 70 2HG2 VAL 70 4.667 2.792 -5.463 574 H LEU 71 HN LEU 71 9.620 1.555 -6.635 575 HA LEU 71 HA LEU 71 10.483 3.824 -4.990 576 HG LEU 71 HG LEU 71 12.279 0.298 -3.444 577 HB2 LEU 71 2HB LEU 71 12.368 2.554 -3.989 578 HB3 LEU 71 3HB LEU 71 10.794 2.205 -3.337 579 HD11 LEU 71 1HD1 LEU 71 9.941 -0.342 -5.270 580 HD12 LEU 71 2HD1 LEU 71 10.749 -1.378 -4.087 581 HD13 LEU 71 3HD1 LEU 71 9.768 -0.018 -3.535 582 HD21 LEU 71 3HD2 LEU 71 12.960 -0.844 -5.384 583 HD22 LEU 71 1HD2 LEU 71 11.957 0.188 -6.442 584 HD23 LEU 71 2HD2 LEU 71 13.390 0.854 -5.612 585 H ARG 72 HN ARG 72 12.692 4.487 -5.501 586 HA ARG 72 HA ARG 72 13.568 3.684 -8.241 587 HE ARG 72 HE ARG 72 12.920 8.871 -10.043 588 HB2 ARG 72 2HB ARG 72 14.500 5.985 -6.469 589 HB3 ARG 72 3HB ARG 72 15.260 5.479 -7.981 590 HG2 ARG 72 2HG ARG 72 13.001 5.838 -9.119 591 HG3 ARG 72 3HG ARG 72 12.467 6.613 -7.616 592 HD2 ARG 72 2HD ARG 72 14.678 8.039 -7.879 593 HD3 ARG 72 3HD ARG 72 14.671 7.452 -9.542 594 HH11 ARG 72 2HH2 ARG 72 12.912 8.441 -6.538 595 HH12 ARG 72 1HH2 ARG 72 12.133 9.907 -6.156 596 HH21 ARG 72 2HH1 ARG 72 11.895 10.955 -9.584 597 HH22 ARG 72 1HH1 ARG 72 11.438 11.297 -7.948 598 H LEU 73 HN LEU 73 14.576 1.831 -8.044 599 HA LEU 73 HA LEU 73 16.009 0.294 -7.706 600 HG LEU 73 HG LEU 73 17.937 0.102 -8.786 601 HB2 LEU 73 2HB LEU 73 17.451 2.467 -8.076 602 HB3 LEU 73 3HB LEU 73 18.073 2.087 -6.458 603 HD11 LEU 73 1HD1 LEU 73 20.349 1.722 -7.894 604 HD12 LEU 73 2HD1 LEU 73 20.250 0.568 -9.232 605 HD13 LEU 73 3HD1 LEU 73 19.354 2.075 -9.332 606 HD21 LEU 73 3HD2 LEU 73 19.531 0.005 -6.182 607 HD22 LEU 73 1HD2 LEU 73 18.148 -1.026 -6.611 608 HD23 LEU 73 2HD2 LEU 73 19.635 -1.164 -7.515 609 H ARG 74 HN ARG 74 16.522 2.172 -4.738 610 HA ARG 74 HA ARG 74 16.814 1.734 -2.624 611 HE ARG 74 HE ARG 74 15.712 0.064 1.480 612 HB2 ARG 74 2HB ARG 74 14.391 1.434 -2.870 613 HB3 ARG 74 3HB ARG 74 14.600 -0.320 -2.910 614 HG2 ARG 74 2HG ARG 74 15.751 1.296 -0.609 615 HG3 ARG 74 3HG ARG 74 14.011 0.993 -0.656 616 HD2 ARG 74 2HD ARG 74 14.206 -1.249 -0.278 617 HD3 ARG 74 3HD ARG 74 15.765 -1.363 -1.094 618 HH11 ARG 74 2HH2 ARG 74 16.152 -3.025 -0.152 619 HH12 ARG 74 1HH2 ARG 74 17.233 -3.730 0.979 620 HH21 ARG 74 2HH1 ARG 74 17.068 -0.809 3.096 621 HH22 ARG 74 1HH1 ARG 74 17.589 -2.467 3.026 622 H GLY 75 HN GLY 75 17.320 -1.167 -4.528 623 HA2 GLY 75 1HA GLY 75 19.571 -2.055 -4.321 624 HA3 GLY 75 2HA GLY 75 19.432 -1.964 -2.562 625 H GLY 76 HN GLY 76 18.809 -3.834 -1.560 626 HA2 GLY 76 1HA GLY 76 16.903 -5.677 -2.830 627 HA3 GLY 76 2HA GLY 76 18.498 -6.312 -2.363 Start of MODEL 14 1 HA MET 1 HA MET 1 -11.009 -8.188 3.647 2 H1 MET 1 HN MET 1 -10.223 -5.633 4.902 3 HB2 MET 1 2HB MET 1 -10.180 -7.393 1.498 4 HB3 MET 1 3HB MET 1 -11.526 -6.431 2.068 5 HG2 MET 1 2HG MET 1 -8.758 -5.392 2.603 6 HG3 MET 1 3HG MET 1 -9.339 -5.418 0.940 7 HE1 MET 1 3HE MET 1 -9.882 -1.664 1.778 8 HE2 MET 1 1HE MET 1 -8.697 -2.551 2.745 9 HE3 MET 1 2HE MET 1 -8.829 -2.857 0.990 10 H GLN 2 HN GLN 2 -8.982 -9.095 2.310 11 HA GLN 2 HA GLN 2 -6.476 -8.059 3.355 12 HB2 GLN 2 2HB GLN 2 -5.385 -10.262 3.464 13 HB3 GLN 2 3HB GLN 2 -6.632 -10.041 4.673 14 HG2 GLN 2 2HG GLN 2 -7.174 -12.144 4.084 15 HG3 GLN 2 3HG GLN 2 -8.149 -11.345 2.864 16 HE21 GLN 2 1HE2 GLN 2 -6.104 -13.914 3.278 17 HE22 GLN 2 2HE2 GLN 2 -5.525 -14.042 1.626 18 H ILE 3 HN ILE 3 -4.756 -8.268 1.834 19 HA ILE 3 HA ILE 3 -5.366 -9.065 -0.882 20 HB ILE 3 HB ILE 3 -5.159 -7.061 -1.964 21 HG12 ILE 3 2HG1 ILE 3 -3.257 -6.096 -0.407 22 HG13 ILE 3 3HG1 ILE 3 -4.250 -5.027 -1.312 23 HG21 ILE 3 1HG2 ILE 3 -6.987 -5.592 -1.186 24 HG22 ILE 3 2HG2 ILE 3 -7.367 -7.304 -1.161 25 HG23 ILE 3 3HG2 ILE 3 -6.998 -6.436 0.340 26 HD11 ILE 3 3HD1 ILE 3 -4.614 -5.684 1.612 27 HD12 ILE 3 1HD1 ILE 3 -3.938 -4.194 0.931 28 HD13 ILE 3 2HD1 ILE 3 -5.628 -4.558 0.688 29 H PHE 4 HN PHE 4 -3.185 -8.204 -2.202 30 HA PHE 4 HA PHE 4 -0.861 -9.270 -0.682 31 HD1 PHE 4 HD2 PHE 4 -1.886 -11.849 -1.341 32 HD2 PHE 4 HD1 PHE 4 -3.005 -9.404 -4.732 33 HE1 PHE 4 HE2 PHE 4 -3.957 -13.180 -1.643 34 HE2 PHE 4 HE1 PHE 4 -5.038 -10.766 -5.041 35 HZ PHE 4 HZ PHE 4 -5.516 -12.653 -3.501 36 HB2 PHE 4 2HB PHE 4 -0.953 -9.032 -3.675 37 HB3 PHE 4 3HB PHE 4 -0.205 -10.261 -2.668 38 H VAL 5 HN VAL 5 1.350 -8.325 -1.332 39 HA VAL 5 HA VAL 5 1.228 -5.679 -2.675 40 HB VAL 5 HB VAL 5 2.511 -6.151 0.050 41 HG11 VAL 5 1HG1 VAL 5 2.237 -3.744 -1.824 42 HG12 VAL 5 2HG1 VAL 5 2.732 -3.622 -0.126 43 HG13 VAL 5 3HG1 VAL 5 3.728 -4.513 -1.245 44 HG21 VAL 5 3HG2 VAL 5 0.083 -6.012 0.362 45 HG22 VAL 5 1HG2 VAL 5 0.870 -4.537 0.919 46 HG23 VAL 5 2HG2 VAL 5 0.024 -4.549 -0.655 47 H LYS 6 HN LYS 6 2.775 -5.578 -4.249 48 HA LYS 6 HA LYS 6 4.798 -7.657 -4.460 49 HB2 LYS 6 2HB LYS 6 4.273 -5.279 -6.277 50 HB3 LYS 6 3HB LYS 6 5.296 -6.685 -6.637 51 HG2 LYS 6 2HG LYS 6 3.312 -8.177 -6.406 52 HG3 LYS 6 3HG LYS 6 2.323 -6.717 -6.205 53 HD2 LYS 6 2HD LYS 6 3.368 -5.862 -8.386 54 HD3 LYS 6 3HD LYS 6 3.998 -7.479 -8.637 55 HE2 LYS 6 2HE LYS 6 1.035 -6.820 -8.291 56 HE3 LYS 6 3HE LYS 6 1.856 -6.807 -9.847 57 HZ1 LYS 6 3HZ LYS 6 1.667 -9.212 -8.129 58 HZ2 LYS 6 1HZ LYS 6 0.742 -8.894 -9.454 59 HZ3 LYS 6 2HZ LYS 6 2.351 -9.129 -9.606 60 H THR 7 HN THR 7 5.479 -6.278 -2.254 61 HA THR 7 HA THR 7 7.787 -4.595 -2.997 62 HB THR 7 HB THR 7 6.145 -4.496 -0.907 63 HG1 THR 7 HG1 THR 7 7.993 -3.743 0.312 64 HG21 THR 7 3HG2 THR 7 8.305 -6.361 0.144 65 HG22 THR 7 1HG2 THR 7 6.975 -5.676 1.048 66 HG23 THR 7 2HG2 THR 7 6.644 -6.881 -0.218 67 H LEU 8 HN LEU 8 9.937 -5.501 -2.057 68 HA LEU 8 HA LEU 8 10.399 -8.250 -2.998 69 HG LEU 8 HG LEU 8 11.969 -7.554 -4.591 70 HB2 LEU 8 2HB LEU 8 11.926 -5.816 -2.721 71 HB3 LEU 8 3HB LEU 8 12.681 -7.001 -1.682 72 HD11 LEU 8 1HD1 LEU 8 13.536 -5.641 -4.429 73 HD12 LEU 8 2HD1 LEU 8 14.647 -6.638 -3.462 74 HD13 LEU 8 3HD1 LEU 8 14.289 -7.062 -5.154 75 HD21 LEU 8 3HD2 LEU 8 13.624 -9.378 -4.389 76 HD22 LEU 8 1HD2 LEU 8 13.923 -8.947 -2.697 77 HD23 LEU 8 2HD2 LEU 8 12.343 -9.586 -3.193 78 H THR 9 HN THR 9 10.097 -9.955 -1.574 79 HA THR 9 HA THR 9 10.898 -9.713 1.244 80 HB THR 9 HB THR 9 7.997 -10.046 0.383 81 HG1 THR 9 HG1 THR 9 9.252 -7.993 1.022 82 HG21 THR 9 3HG2 THR 9 7.475 -10.382 2.831 83 HG22 THR 9 1HG2 THR 9 8.251 -11.768 2.058 84 HG23 THR 9 2HG2 THR 9 9.202 -10.694 3.104 85 H GLY 10 HN GLY 10 9.431 -11.729 -1.331 86 HA2 GLY 10 1HA GLY 10 10.498 -14.015 -1.622 87 HA3 GLY 10 2HA GLY 10 10.307 -14.158 0.134 88 H LYS 11 HN LYS 11 8.818 -14.691 -2.824 89 HA LYS 11 HA LYS 11 6.834 -15.493 -3.472 90 HB2 LYS 11 2HB LYS 11 7.186 -16.495 -0.804 91 HB3 LYS 11 3HB LYS 11 5.505 -16.034 -0.944 92 HG2 LYS 11 2HG LYS 11 5.639 -18.297 -1.587 93 HG3 LYS 11 3HG LYS 11 5.405 -17.406 -3.101 94 HD2 LYS 11 2HD LYS 11 7.841 -17.604 -3.566 95 HD3 LYS 11 3HD LYS 11 8.076 -18.381 -1.980 96 HE2 LYS 11 2HE LYS 11 6.419 -20.162 -2.723 97 HE3 LYS 11 3HE LYS 11 6.485 -19.454 -4.346 98 HZ1 LYS 11 3HZ LYS 11 8.734 -20.615 -2.828 99 HZ2 LYS 11 1HZ LYS 11 8.011 -21.253 -4.178 100 HZ3 LYS 11 2HZ LYS 11 8.889 -19.876 -4.307 101 H THR 12 HN THR 12 6.920 -12.538 -2.165 102 HA THR 12 HA THR 12 5.598 -10.783 -1.935 103 HB THR 12 HB THR 12 3.595 -12.412 -3.523 104 HG1 THR 12 HG1 THR 12 5.217 -11.693 -4.689 105 HG21 THR 12 3HG2 THR 12 3.185 -9.585 -2.576 106 HG22 THR 12 1HG2 THR 12 2.299 -10.373 -3.882 107 HG23 THR 12 2HG2 THR 12 2.145 -10.985 -2.233 108 H ILE 13 HN ILE 13 3.803 -9.917 -0.687 109 HA ILE 13 HA ILE 13 3.461 -11.509 1.752 110 HB ILE 13 HB ILE 13 5.128 -10.098 2.330 111 HG12 ILE 13 2HG1 ILE 13 2.734 -8.281 2.827 112 HG13 ILE 13 3HG1 ILE 13 3.208 -9.674 3.817 113 HG21 ILE 13 1HG2 ILE 13 5.427 -8.886 0.204 114 HG22 ILE 13 2HG2 ILE 13 4.058 -7.817 0.629 115 HG23 ILE 13 3HG2 ILE 13 5.567 -7.837 1.573 116 HD11 ILE 13 3HD1 ILE 13 4.735 -7.070 3.453 117 HD12 ILE 13 1HD1 ILE 13 3.988 -7.704 4.910 118 HD13 ILE 13 2HD1 ILE 13 5.417 -8.518 4.246 119 H THR 14 HN THR 14 1.567 -11.162 2.920 120 HA THR 14 HA THR 14 -0.723 -10.117 1.329 121 HB THR 14 HB THR 14 -0.839 -11.855 3.817 122 HG1 THR 14 HG1 THR 14 0.432 -12.591 1.856 123 HG21 THR 14 3HG2 THR 14 -2.727 -11.623 1.412 124 HG22 THR 14 1HG2 THR 14 -2.964 -12.639 2.850 125 HG23 THR 14 2HG2 THR 14 -3.012 -10.883 3.003 126 H LEU 15 HN LEU 15 -2.316 -8.810 2.601 127 HA LEU 15 HA LEU 15 -1.217 -7.329 4.895 128 HG LEU 15 HG LEU 15 -0.636 -4.225 2.971 129 HB2 LEU 15 2HB LEU 15 -0.685 -6.433 2.451 130 HB3 LEU 15 3HB LEU 15 -2.366 -5.953 2.407 131 HD11 LEU 15 1HD1 LEU 15 -3.004 -3.865 3.563 132 HD12 LEU 15 2HD1 LEU 15 -2.662 -4.474 5.200 133 HD13 LEU 15 3HD1 LEU 15 -1.869 -3.014 4.613 134 HD21 LEU 15 3HD2 LEU 15 -0.387 -5.546 5.651 135 HD22 LEU 15 1HD2 LEU 15 0.804 -5.660 4.320 136 HD23 LEU 15 2HD2 LEU 15 0.416 -4.099 5.087 137 H GLU 16 HN GLU 16 -2.904 -6.422 6.171 138 HA GLU 16 HA GLU 16 -5.632 -7.355 5.482 139 HB2 GLU 16 2HB GLU 16 -4.235 -8.695 7.111 140 HB3 GLU 16 3HB GLU 16 -4.303 -7.326 8.221 141 HG2 GLU 16 2HG GLU 16 -6.681 -7.569 8.462 142 HG3 GLU 16 3HG GLU 16 -6.782 -8.483 6.973 143 H VAL 17 HN VAL 17 -6.764 -5.515 5.022 144 HA VAL 17 HA VAL 17 -6.622 -3.275 6.880 145 HB VAL 17 HB VAL 17 -4.814 -2.730 5.413 146 HG11 VAL 17 1HG1 VAL 17 -6.645 -3.090 3.027 147 HG12 VAL 17 2HG1 VAL 17 -4.995 -2.451 2.989 148 HG13 VAL 17 3HG1 VAL 17 -5.283 -4.128 3.465 149 HG21 VAL 17 3HG2 VAL 17 -7.106 -1.021 4.427 150 HG22 VAL 17 1HG2 VAL 17 -6.401 -0.883 6.052 151 HG23 VAL 17 2HG2 VAL 17 -5.406 -0.590 4.632 152 H GLU 18 HN GLU 18 -8.359 -1.773 6.430 153 HA GLU 18 HA GLU 18 -10.784 -3.186 5.490 154 HB2 GLU 18 2HB GLU 18 -11.048 -0.643 7.033 155 HB3 GLU 18 3HB GLU 18 -11.972 -2.132 7.115 156 HG2 GLU 18 2HG GLU 18 -10.967 -1.957 9.197 157 HG3 GLU 18 3HG GLU 18 -9.973 -3.148 8.373 158 HA PRO 19 HA PRO 19 -11.251 0.223 2.568 159 HB2 PRO 19 2HB PRO 19 -13.934 0.352 2.172 160 HB3 PRO 19 3HB PRO 19 -12.959 -1.025 1.568 161 HG2 PRO 19 2HG PRO 19 -14.622 -0.879 4.091 162 HG3 PRO 19 3HG PRO 19 -14.539 -2.203 2.882 163 HD2 PRO 19 2HD PRO 19 -13.104 -2.118 5.255 164 HD3 PRO 19 3HD PRO 19 -12.588 -3.039 3.829 165 H SER 20 HN SER 20 -12.179 2.375 2.625 166 HA SER 20 HA SER 20 -12.919 4.283 3.426 167 HG SER 20 HG SER 20 -13.725 5.458 5.608 168 HB2 SER 20 2HB SER 20 -14.535 2.861 4.827 169 HB3 SER 20 3HB SER 20 -13.461 3.248 6.181 170 H ASP 21 HN ASP 21 -10.369 2.502 4.850 171 HA ASP 21 HA ASP 21 -9.030 4.287 6.479 172 HB2 ASP 21 2HB ASP 21 -8.587 1.793 5.167 173 HB3 ASP 21 3HB ASP 21 -7.285 2.826 4.611 174 H THR 22 HN THR 22 -6.787 5.418 5.809 175 HA THR 22 HA THR 22 -7.273 7.050 3.360 176 HB THR 22 HB THR 22 -5.893 8.765 4.283 177 HG1 THR 22 HG1 THR 22 -5.024 8.437 6.476 178 HG21 THR 22 3HG2 THR 22 -7.639 7.831 6.611 179 HG22 THR 22 1HG2 THR 22 -7.138 9.487 6.229 180 HG23 THR 22 2HG2 THR 22 -8.276 8.633 5.168 181 H ILE 23 HN ILE 23 -5.261 7.562 2.134 182 HA ILE 23 HA ILE 23 -3.771 5.182 1.524 183 HB ILE 23 HB ILE 23 -3.521 8.104 0.778 184 HG12 ILE 23 2HG1 ILE 23 -4.005 7.250 -1.451 185 HG13 ILE 23 3HG1 ILE 23 -3.958 5.578 -0.848 186 HG21 ILE 23 1HG2 ILE 23 -1.566 5.921 -0.068 187 HG22 ILE 23 2HG2 ILE 23 -1.713 7.516 -0.845 188 HG23 ILE 23 3HG2 ILE 23 -1.189 7.412 0.823 189 HD11 ILE 23 3HD1 ILE 23 -6.065 5.995 0.377 190 HD12 ILE 23 1HD1 ILE 23 -6.082 7.646 -0.314 191 HD13 ILE 23 2HD1 ILE 23 -6.184 6.227 -1.354 192 H GLU 24 HN GLU 24 -3.133 7.936 3.675 193 HA GLU 24 HA GLU 24 -0.408 7.334 4.221 194 HB2 GLU 24 2HB GLU 24 -1.834 9.492 4.640 195 HB3 GLU 24 3HB GLU 24 -2.243 8.692 6.166 196 HG2 GLU 24 2HG GLU 24 0.392 8.335 6.337 197 HG3 GLU 24 3HG GLU 24 0.454 9.628 5.144 198 H ASN 25 HN ASN 25 -3.472 6.057 5.416 199 HA ASN 25 HA ASN 25 -2.386 4.767 7.779 200 HB2 ASN 25 2HB ASN 25 -4.817 5.626 7.211 201 HB3 ASN 25 3HB ASN 25 -5.012 4.037 6.481 202 HD21 ASN 25 1HD2 ASN 25 -5.956 5.578 9.077 203 HD22 ASN 25 2HD2 ASN 25 -5.708 4.368 10.312 204 H VAL 26 HN VAL 26 -3.623 3.617 4.575 205 HA VAL 26 HA VAL 26 -2.865 0.929 4.953 206 HB VAL 26 HB VAL 26 -2.829 2.317 2.238 207 HG11 VAL 26 1HG1 VAL 26 -3.665 0.099 1.442 208 HG12 VAL 26 2HG1 VAL 26 -2.071 0.006 2.150 209 HG13 VAL 26 3HG1 VAL 26 -3.466 -0.541 3.094 210 HG21 VAL 26 3HG2 VAL 26 -4.944 2.955 2.953 211 HG22 VAL 26 1HG2 VAL 26 -5.311 1.409 2.228 212 HG23 VAL 26 2HG2 VAL 26 -5.169 1.546 3.992 213 H LYS 27 HN LYS 27 -0.872 3.651 3.548 214 HA LYS 27 HA LYS 27 1.356 1.938 3.058 215 HB2 LYS 27 2HB LYS 27 2.748 3.812 2.800 216 HB3 LYS 27 3HB LYS 27 1.196 4.236 2.098 217 HG2 LYS 27 2HG LYS 27 0.627 5.545 4.054 218 HG3 LYS 27 3HG LYS 27 2.130 5.101 4.847 219 HD2 LYS 27 2HD LYS 27 2.374 7.289 4.046 220 HD3 LYS 27 3HD LYS 27 3.438 6.235 3.110 221 HE2 LYS 27 2HE LYS 27 1.776 6.298 1.234 222 HE3 LYS 27 3HE LYS 27 0.746 7.364 2.208 223 HZ1 LYS 27 3HZ LYS 27 2.091 8.638 0.688 224 HZ2 LYS 27 1HZ LYS 27 2.547 8.974 2.232 225 HZ3 LYS 27 2HZ LYS 27 3.491 8.007 1.298 226 H ALA 28 HN ALA 28 0.315 3.520 6.065 227 HA ALA 28 HA ALA 28 2.700 3.107 7.527 228 HB1 ALA 28 1HB ALA 28 -0.140 3.220 8.559 229 HB2 ALA 28 2HB ALA 28 1.349 3.432 9.474 230 HB3 ALA 28 3HB ALA 28 0.920 4.618 8.230 231 H LYS 29 HN LYS 29 -0.299 1.179 7.213 232 HA LYS 29 HA LYS 29 0.410 -0.923 8.867 233 HB2 LYS 29 2HB LYS 29 -1.786 -0.310 7.536 234 HB3 LYS 29 3HB LYS 29 -1.168 -1.449 6.326 235 HG2 LYS 29 2HG LYS 29 -1.010 -3.209 8.072 236 HG3 LYS 29 3HG LYS 29 -1.524 -2.049 9.301 237 HD2 LYS 29 2HD LYS 29 -3.190 -3.065 6.979 238 HD3 LYS 29 3HD LYS 29 -3.324 -3.500 8.690 239 HE2 LYS 29 2HE LYS 29 -3.531 -0.699 8.721 240 HE3 LYS 29 3HE LYS 29 -4.395 -1.146 7.248 241 HZ1 LYS 29 3HZ LYS 29 -6.079 -1.382 8.745 242 HZ2 LYS 29 1HZ LYS 29 -5.447 -2.863 8.985 243 HZ3 LYS 29 2HZ LYS 29 -5.088 -1.643 10.016 244 H ILE 30 HN ILE 30 1.292 -0.535 5.435 245 HA ILE 30 HA ILE 30 2.534 -3.177 5.397 246 HB ILE 30 HB ILE 30 3.784 -1.637 3.387 247 HG12 ILE 30 2HG1 ILE 30 1.870 -0.003 3.653 248 HG13 ILE 30 3HG1 ILE 30 2.322 -0.571 2.068 249 HG21 ILE 30 1HG2 ILE 30 3.261 -4.018 3.415 250 HG22 ILE 30 2HG2 ILE 30 1.557 -3.666 3.173 251 HG23 ILE 30 3HG2 ILE 30 2.739 -3.204 1.939 252 HD11 ILE 30 3HD1 ILE 30 -0.018 -1.703 3.631 253 HD12 ILE 30 1HD1 ILE 30 -0.078 -0.475 2.344 254 HD13 ILE 30 2HD1 ILE 30 0.459 -2.087 1.950 255 H GLN 31 HN GLN 31 3.768 0.142 6.087 256 HA GLN 31 HA GLN 31 6.486 -0.785 5.861 257 HB2 GLN 31 2HB GLN 31 7.159 1.325 6.958 258 HB3 GLN 31 3HB GLN 31 6.191 1.502 5.554 259 HG2 GLN 31 2HG GLN 31 5.471 3.152 6.909 260 HG3 GLN 31 3HG GLN 31 4.247 1.949 6.948 261 HE21 GLN 31 1HE2 GLN 31 6.986 1.210 9.132 262 HE22 GLN 31 2HE2 GLN 31 6.180 1.793 10.551 263 H ASP 32 HN ASP 32 4.167 -0.492 8.509 264 HA ASP 32 HA ASP 32 5.645 -1.358 10.690 265 HB2 ASP 32 2HB ASP 32 3.397 -0.546 10.931 266 HB3 ASP 32 3HB ASP 32 2.756 -1.815 9.893 267 H LYS 33 HN LYS 33 4.271 -3.368 8.081 268 HA LYS 33 HA LYS 33 5.046 -5.862 9.444 269 HB2 LYS 33 2HB LYS 33 3.970 -5.255 6.671 270 HB3 LYS 33 3HB LYS 33 4.501 -6.863 7.175 271 HG2 LYS 33 2HG LYS 33 2.856 -6.852 9.051 272 HG3 LYS 33 3HG LYS 33 2.318 -5.240 8.551 273 HD2 LYS 33 2HD LYS 33 0.740 -6.707 7.563 274 HD3 LYS 33 3HD LYS 33 1.842 -6.231 6.269 275 HE2 LYS 33 2HE LYS 33 1.608 -8.507 5.897 276 HE3 LYS 33 3HE LYS 33 3.135 -8.415 6.776 277 HZ1 LYS 33 3HZ LYS 33 1.860 -9.002 8.789 278 HZ2 LYS 33 1HZ LYS 33 0.494 -9.092 7.888 279 HZ3 LYS 33 2HZ LYS 33 1.711 -10.151 7.603 280 H GLU 34 HN GLU 34 6.430 -3.721 6.970 281 HA GLU 34 HA GLU 34 8.382 -5.814 6.235 282 HB2 GLU 34 2HB GLU 34 6.801 -4.560 4.632 283 HB3 GLU 34 3HB GLU 34 7.857 -3.162 4.862 284 HG2 GLU 34 2HG GLU 34 9.688 -5.156 4.233 285 HG3 GLU 34 3HG GLU 34 8.268 -5.717 3.365 286 H GLY 35 HN GLY 35 8.675 -4.253 8.761 287 HA2 GLY 35 1HA GLY 35 10.468 -3.577 10.024 288 HA3 GLY 35 2HA GLY 35 11.492 -3.833 8.615 289 H ILE 36 HN ILE 36 9.779 -1.830 7.101 290 HA ILE 36 HA ILE 36 11.580 0.330 7.597 291 HB ILE 36 HB ILE 36 11.073 -0.570 5.463 292 HG12 ILE 36 2HG1 ILE 36 10.336 2.349 5.681 293 HG13 ILE 36 3HG1 ILE 36 11.939 1.611 5.490 294 HG21 ILE 36 1HG2 ILE 36 8.582 -1.051 5.882 295 HG22 ILE 36 2HG2 ILE 36 8.348 0.607 5.253 296 HG23 ILE 36 3HG2 ILE 36 9.122 -0.631 4.266 297 HD11 ILE 36 3HD1 ILE 36 11.106 0.632 3.300 298 HD12 ILE 36 1HD1 ILE 36 9.668 1.676 3.491 299 HD13 ILE 36 2HD1 ILE 36 11.271 2.392 3.363 300 HA PRO 37 HA PRO 37 8.604 3.055 9.744 301 HB2 PRO 37 2HB PRO 37 9.838 5.492 9.480 302 HB3 PRO 37 3HB PRO 37 10.462 4.193 10.542 303 HG2 PRO 37 2HG PRO 37 11.305 4.869 7.722 304 HG3 PRO 37 3HG PRO 37 12.346 4.659 9.170 305 HD2 PRO 37 2HD PRO 37 11.950 2.635 7.414 306 HD3 PRO 37 3HD PRO 37 12.035 2.323 9.169 307 HA PRO 38 HA PRO 38 6.269 4.952 6.334 308 HB2 PRO 38 2HB PRO 38 4.961 7.059 7.405 309 HB3 PRO 38 3HB PRO 38 4.629 5.394 7.968 310 HG2 PRO 38 2HG PRO 38 6.498 7.439 9.223 311 HG3 PRO 38 3HG PRO 38 5.209 6.491 10.028 312 HD2 PRO 38 2HD PRO 38 7.810 5.727 10.046 313 HD3 PRO 38 3HD PRO 38 6.494 4.524 9.986 314 H ASP 39 HN ASP 39 8.931 6.489 7.698 315 HA ASP 39 HA ASP 39 8.983 9.072 6.730 316 HB2 ASP 39 2HB ASP 39 10.511 7.699 8.323 317 HB3 ASP 39 3HB ASP 39 11.402 7.246 6.872 318 H GLN 40 HN GLN 40 9.537 6.080 4.966 319 HA GLN 40 HA GLN 40 9.999 7.638 2.464 320 HB2 GLN 40 2HB GLN 40 11.178 4.886 2.989 321 HB3 GLN 40 3HB GLN 40 11.486 5.975 1.662 322 HG2 GLN 40 2HG GLN 40 13.335 6.529 2.811 323 HG3 GLN 40 3HG GLN 40 12.306 7.520 3.827 324 HE21 GLN 40 1HE2 GLN 40 14.874 6.065 4.498 325 HE22 GLN 40 2HE2 GLN 40 14.388 5.121 5.910 326 H GLN 41 HN GLN 41 9.683 4.236 2.401 327 HA GLN 41 HA GLN 41 8.339 2.779 1.555 328 HB2 GLN 41 2HB GLN 41 7.387 3.298 3.834 329 HB3 GLN 41 3HB GLN 41 6.181 4.302 3.051 330 HG2 GLN 41 2HG GLN 41 5.170 2.270 3.677 331 HG3 GLN 41 3HG GLN 41 5.247 2.245 1.941 332 HE21 GLN 41 1HE2 GLN 41 5.000 -0.016 3.860 333 HE22 GLN 41 2HE2 GLN 41 6.238 -1.101 3.240 334 H ARG 42 HN ARG 42 5.927 2.520 0.337 335 HA ARG 42 HA ARG 42 5.459 4.736 -1.464 336 HE ARG 42 HE ARG 42 6.676 4.315 -6.576 337 HB2 ARG 42 2HB ARG 42 7.268 2.730 -2.295 338 HB3 ARG 42 3HB ARG 42 5.764 2.238 -3.057 339 HG2 ARG 42 2HG ARG 42 6.566 5.155 -3.233 340 HG3 ARG 42 3HG ARG 42 7.514 4.015 -4.103 341 HD2 ARG 42 2HD ARG 42 5.331 3.108 -5.117 342 HD3 ARG 42 3HD ARG 42 4.570 4.583 -4.499 343 HH11 ARG 42 2HH2 ARG 42 4.842 6.673 -4.552 344 HH12 ARG 42 1HH2 ARG 42 5.408 7.979 -5.528 345 HH21 ARG 42 2HH1 ARG 42 7.089 6.074 -7.935 346 HH22 ARG 42 1HH1 ARG 42 6.451 7.652 -7.526 347 H LEU 43 HN LEU 43 3.455 4.212 -2.879 348 HA LEU 43 HA LEU 43 1.676 2.030 -2.183 349 HG LEU 43 HG LEU 43 -0.226 3.705 0.639 350 HB2 LEU 43 2HB LEU 43 1.825 4.197 -0.341 351 HB3 LEU 43 3HB LEU 43 0.572 4.742 -1.391 352 HD11 LEU 43 1HD1 LEU 43 -1.106 2.477 -1.930 353 HD12 LEU 43 2HD1 LEU 43 -1.795 1.956 -0.364 354 HD13 LEU 43 3HD1 LEU 43 -1.887 3.636 -0.836 355 HD21 LEU 43 3HD2 LEU 43 1.630 2.119 0.949 356 HD22 LEU 43 1HD2 LEU 43 0.031 1.376 1.150 357 HD23 LEU 43 2HD2 LEU 43 0.996 1.097 -0.313 358 H ILE 44 HN ILE 44 0.450 1.914 -4.235 359 HA ILE 44 HA ILE 44 -0.570 4.407 -5.350 360 HB ILE 44 HB ILE 44 1.770 4.213 -6.162 361 HG12 ILE 44 2HG1 ILE 44 0.326 5.571 -7.437 362 HG13 ILE 44 3HG1 ILE 44 1.427 4.681 -8.475 363 HG21 ILE 44 1HG2 ILE 44 1.906 1.781 -6.277 364 HG22 ILE 44 2HG2 ILE 44 0.873 1.794 -7.719 365 HG23 ILE 44 3HG2 ILE 44 2.448 2.588 -7.756 366 HD11 ILE 44 3HD1 ILE 44 -0.584 3.014 -8.819 367 HD12 ILE 44 1HD1 ILE 44 -1.542 4.381 -8.174 368 HD13 ILE 44 2HD1 ILE 44 -0.549 4.577 -9.624 369 H PHE 45 HN PHE 45 -2.750 3.878 -5.807 370 HA PHE 45 HA PHE 45 -3.450 1.024 -6.088 371 HD1 PHE 45 HD1 PHE 45 -5.106 -0.061 -4.816 372 HD2 PHE 45 HD2 PHE 45 -5.227 3.984 -3.403 373 HE1 PHE 45 HE1 PHE 45 -5.080 -0.867 -2.473 374 HE2 PHE 45 HE2 PHE 45 -5.227 3.188 -1.059 375 HZ PHE 45 HZ PHE 45 -5.139 0.742 -0.590 376 HB2 PHE 45 2HB PHE 45 -5.104 3.554 -5.780 377 HB3 PHE 45 3HB PHE 45 -5.823 2.024 -6.257 378 H ALA 46 HN ALA 46 -4.188 0.121 -7.915 379 HA ALA 46 HA ALA 46 -4.093 -0.376 -10.070 380 HB1 ALA 46 1HB ALA 46 -5.586 0.902 -11.531 381 HB2 ALA 46 2HB ALA 46 -6.312 0.544 -9.962 382 HB3 ALA 46 3HB ALA 46 -5.717 2.180 -10.301 383 H GLY 47 HN GLY 47 -3.946 3.060 -10.931 384 HA2 GLY 47 1HA GLY 47 -1.110 3.207 -11.326 385 HA3 GLY 47 2HA GLY 47 -1.917 2.795 -12.841 386 H LYS 48 HN LYS 48 -2.297 5.060 -10.085 387 HA LYS 48 HA LYS 48 -2.761 7.308 -11.907 388 HB2 LYS 48 2HB LYS 48 -4.762 8.028 -10.517 389 HB3 LYS 48 3HB LYS 48 -4.979 6.678 -11.604 390 HG2 LYS 48 2HG LYS 48 -6.192 6.229 -9.629 391 HG3 LYS 48 3HG LYS 48 -4.893 5.081 -9.753 392 HD2 LYS 48 2HD LYS 48 -5.205 5.779 -7.452 393 HD3 LYS 48 3HD LYS 48 -3.622 6.260 -8.002 394 HE2 LYS 48 2HE LYS 48 -4.777 8.056 -6.644 395 HE3 LYS 48 3HE LYS 48 -4.260 8.578 -8.252 396 HZ1 LYS 48 3HZ LYS 48 -6.503 9.307 -7.515 397 HZ2 LYS 48 1HZ LYS 48 -6.436 8.691 -8.998 398 HZ3 LYS 48 2HZ LYS 48 -7.052 7.778 -7.785 399 H GLN 49 HN GLN 49 -3.007 9.390 -10.374 400 HA GLN 49 HA GLN 49 -0.582 9.507 -8.742 401 HB2 GLN 49 2HB GLN 49 -2.710 11.439 -9.693 402 HB3 GLN 49 3HB GLN 49 -1.700 11.911 -8.341 403 HG2 GLN 49 2HG GLN 49 -0.411 10.868 -10.885 404 HG3 GLN 49 3HG GLN 49 -0.943 12.546 -10.719 405 HE21 GLN 49 1HE2 GLN 49 1.219 10.075 -9.086 406 HE22 GLN 49 2HE2 GLN 49 2.103 11.319 -8.229 407 H LEU 50 HN LEU 50 -0.793 8.182 -6.964 408 HA LEU 50 HA LEU 50 -3.292 8.318 -5.431 409 HG LEU 50 HG LEU 50 -2.529 7.084 -3.002 410 HB2 LEU 50 2HB LEU 50 -2.178 6.093 -5.873 411 HB3 LEU 50 3HB LEU 50 -0.828 6.644 -4.856 412 HD11 LEU 50 1HD1 LEU 50 -4.733 5.965 -3.203 413 HD12 LEU 50 2HD1 LEU 50 -4.586 7.309 -4.263 414 HD13 LEU 50 3HD1 LEU 50 -4.405 5.663 -4.925 415 HD21 LEU 50 3HD2 LEU 50 -1.166 5.108 -2.985 416 HD22 LEU 50 1HD2 LEU 50 -2.788 4.773 -2.378 417 HD23 LEU 50 2HD2 LEU 50 -2.369 4.241 -3.965 418 H GLU 51 HN GLU 51 -2.783 10.597 -5.251 419 HA GLU 51 HA GLU 51 -0.912 11.220 -3.032 420 HB2 GLU 51 2HB GLU 51 -2.269 13.120 -4.962 421 HB3 GLU 51 3HB GLU 51 -0.982 13.477 -3.811 422 HG2 GLU 51 2HG GLU 51 -0.787 11.771 -6.321 423 HG3 GLU 51 3HG GLU 51 -0.096 13.356 -6.067 424 H ASP 52 HN ASP 52 -2.752 9.860 -2.055 425 HA ASP 52 HA ASP 52 -4.358 9.643 -0.469 426 HB2 ASP 52 2HB ASP 52 -3.699 10.986 1.505 427 HB3 ASP 52 3HB ASP 52 -2.364 10.261 0.629 428 H GLY 53 HN GLY 53 -5.272 11.935 -2.489 429 HA2 GLY 53 1HA GLY 53 -6.759 13.825 -1.410 430 HA3 GLY 53 2HA GLY 53 -7.290 12.986 -2.861 431 H ARG 54 HN ARG 54 -8.094 10.566 -1.891 432 HA ARG 54 HA ARG 54 -10.336 11.244 -0.053 433 HE ARG 54 HE ARG 54 -14.115 11.105 -2.760 434 HB2 ARG 54 2HB ARG 54 -10.433 10.306 -2.908 435 HB3 ARG 54 3HB ARG 54 -11.595 9.569 -1.816 436 HG2 ARG 54 2HG ARG 54 -11.228 12.566 -1.757 437 HG3 ARG 54 3HG ARG 54 -12.187 11.832 -3.033 438 HD2 ARG 54 2HD ARG 54 -12.768 10.978 -0.182 439 HD3 ARG 54 3HD ARG 54 -13.246 12.601 -0.690 440 HH11 ARG 54 2HH2 ARG 54 -14.990 10.955 0.770 441 HH12 ARG 54 1HH2 ARG 54 -16.595 10.490 0.377 442 HH21 ARG 54 2HH1 ARG 54 -16.166 10.560 -3.125 443 HH22 ARG 54 1HH1 ARG 54 -17.221 10.032 -1.841 444 H THR 55 HN THR 55 -11.591 9.234 0.447 445 HA THR 55 HA THR 55 -9.826 7.609 1.997 446 HB THR 55 HB THR 55 -11.793 8.398 3.033 447 HG1 THR 55 HG1 THR 55 -11.841 6.406 3.706 448 HG21 THR 55 3HG2 THR 55 -14.124 7.969 2.135 449 HG22 THR 55 1HG2 THR 55 -13.202 9.186 1.272 450 HG23 THR 55 2HG2 THR 55 -13.373 7.556 0.571 451 H LEU 56 HN LEU 56 -10.024 5.284 2.075 452 HA LEU 56 HA LEU 56 -9.887 3.705 -0.286 453 HG LEU 56 HG LEU 56 -8.234 2.220 2.668 454 HB2 LEU 56 2HB LEU 56 -10.186 3.370 2.642 455 HB3 LEU 56 3HB LEU 56 -10.650 2.007 1.674 456 HD11 LEU 56 1HD1 LEU 56 -9.046 0.377 1.468 457 HD12 LEU 56 2HD1 LEU 56 -9.082 1.300 -0.053 458 HD13 LEU 56 3HD1 LEU 56 -7.525 0.832 0.686 459 HD21 LEU 56 3HD2 LEU 56 -6.545 3.079 1.162 460 HD22 LEU 56 1HD2 LEU 56 -7.755 3.621 -0.004 461 HD23 LEU 56 2HD2 LEU 56 -7.629 4.404 1.590 462 H SER 57 HN SER 57 -12.713 5.086 1.229 463 HA SER 57 HA SER 57 -14.579 3.185 0.020 464 HG SER 57 HG SER 57 -16.696 4.796 -0.312 465 HB2 SER 57 2HB SER 57 -15.044 4.725 1.997 466 HB3 SER 57 3HB SER 57 -15.077 6.073 0.837 467 H ASP 58 HN ASP 58 -12.395 5.382 -1.370 468 HA ASP 58 HA ASP 58 -14.102 5.769 -3.801 469 HB2 ASP 58 2HB ASP 58 -13.394 7.848 -2.470 470 HB3 ASP 58 3HB ASP 58 -11.721 7.473 -2.934 471 H TYR 59 HN TYR 59 -10.798 5.266 -2.579 472 HA TYR 59 HA TYR 59 -9.696 4.404 -5.075 473 HD1 TYR 59 HD2 TYR 59 -7.242 4.603 -5.372 474 HD2 TYR 59 HD1 TYR 59 -8.830 6.521 -1.852 475 HE1 TYR 59 HE2 TYR 59 -6.617 6.753 -6.240 476 HE2 TYR 59 HE1 TYR 59 -8.132 8.722 -2.722 477 HH TYR 59 HH TYR 59 -7.536 9.824 -4.916 478 HB2 TYR 59 2HB TYR 59 -8.932 4.062 -2.142 479 HB3 TYR 59 3HB TYR 59 -7.992 3.297 -3.432 480 H ASN 60 HN ASN 60 -12.019 2.985 -3.271 481 HA ASN 60 HA ASN 60 -11.477 0.687 -2.370 482 HB2 ASN 60 2HB ASN 60 -13.739 0.124 -2.482 483 HB3 ASN 60 3HB ASN 60 -13.687 1.875 -2.476 484 HD21 ASN 60 1HD2 ASN 60 -14.525 -0.991 -4.369 485 HD22 ASN 60 2HD2 ASN 60 -15.267 -0.140 -5.696 486 H ILE 61 HN ILE 61 -11.299 -1.382 -2.743 487 HA ILE 61 HA ILE 61 -10.635 -2.530 -5.363 488 HB ILE 61 HB ILE 61 -8.327 -2.841 -4.513 489 HG12 ILE 61 2HG1 ILE 61 -8.517 -2.439 -2.122 490 HG13 ILE 61 3HG1 ILE 61 -7.313 -1.415 -2.887 491 HG21 ILE 61 1HG2 ILE 61 -7.957 -0.000 -4.666 492 HG22 ILE 61 2HG2 ILE 61 -7.609 -1.281 -5.819 493 HG23 ILE 61 3HG2 ILE 61 -9.188 -0.534 -5.829 494 HD11 ILE 61 3HD1 ILE 61 -8.176 -0.024 -1.413 495 HD12 ILE 61 1HD1 ILE 61 -9.111 0.460 -2.815 496 HD13 ILE 61 2HD1 ILE 61 -9.846 -0.598 -1.552 497 H GLN 62 HN GLN 62 -10.167 -4.879 -5.066 498 HA GLN 62 HA GLN 62 -10.345 -5.954 -2.294 499 HB2 GLN 62 2HB GLN 62 -12.341 -7.302 -2.993 500 HB3 GLN 62 3HB GLN 62 -12.664 -5.579 -2.895 501 HG2 GLN 62 2HG GLN 62 -12.583 -5.333 -5.311 502 HG3 GLN 62 3HG GLN 62 -12.018 -6.991 -5.513 503 HE21 GLN 62 1HE2 GLN 62 -14.654 -5.213 -6.077 504 HE22 GLN 62 2HE2 GLN 62 -15.870 -6.483 -5.931 505 H LYS 63 HN LYS 63 -8.280 -6.053 -4.326 506 HA LYS 63 HA LYS 63 -7.043 -8.511 -4.212 507 HB2 LYS 63 2HB LYS 63 -9.134 -8.480 -6.406 508 HB3 LYS 63 3HB LYS 63 -7.583 -9.196 -6.761 509 HG2 LYS 63 2HG LYS 63 -7.927 -11.071 -5.583 510 HG3 LYS 63 3HG LYS 63 -8.734 -10.261 -4.248 511 HD2 LYS 63 2HD LYS 63 -10.782 -9.983 -5.727 512 HD3 LYS 63 3HD LYS 63 -9.982 -10.933 -6.962 513 HE2 LYS 63 2HE LYS 63 -10.738 -11.850 -4.146 514 HE3 LYS 63 3HE LYS 63 -11.612 -12.226 -5.635 515 HZ1 LYS 63 3HZ LYS 63 -8.981 -13.199 -4.784 516 HZ2 LYS 63 1HZ LYS 63 -10.293 -14.071 -5.177 517 HZ3 LYS 63 2HZ LYS 63 -9.456 -13.296 -6.376 518 H GLU 64 HN GLU 64 -8.075 -6.219 -6.867 519 HA GLU 64 HA GLU 64 -5.341 -5.889 -7.818 520 HB2 GLU 64 2HB GLU 64 -8.059 -4.885 -8.494 521 HB3 GLU 64 3HB GLU 64 -6.736 -3.805 -8.902 522 HG2 GLU 64 2HG GLU 64 -6.655 -6.735 -9.686 523 HG3 GLU 64 3HG GLU 64 -7.480 -5.522 -10.664 524 H SER 65 HN SER 65 -6.724 -4.883 -5.105 525 HA SER 65 HA SER 65 -5.640 -2.375 -4.375 526 HG SER 65 HG SER 65 -6.114 -3.676 -1.058 527 HB2 SER 65 2HB SER 65 -7.198 -4.070 -3.161 528 HB3 SER 65 3HB SER 65 -5.742 -4.978 -2.835 529 H THR 66 HN THR 66 -3.753 -4.561 -5.971 530 HA THR 66 HA THR 66 -1.655 -5.045 -3.983 531 HB THR 66 HB THR 66 -1.641 -5.499 -7.007 532 HG1 THR 66 HG1 THR 66 -2.978 -6.909 -5.047 533 HG21 THR 66 3HG2 THR 66 0.035 -7.166 -6.500 534 HG22 THR 66 1HG2 THR 66 0.514 -5.645 -5.731 535 HG23 THR 66 2HG2 THR 66 -0.187 -6.948 -4.753 536 H LEU 67 HN LEU 67 -1.592 -2.699 -3.524 537 HA LEU 67 HA LEU 67 -0.989 -0.847 -5.494 538 HG LEU 67 HG LEU 67 -0.680 0.333 -1.487 539 HB2 LEU 67 2HB LEU 67 -0.780 0.753 -3.655 540 HB3 LEU 67 3HB LEU 67 -2.201 -0.217 -3.561 541 HD11 LEU 67 1HD1 LEU 67 -2.805 -1.067 -1.661 542 HD12 LEU 67 2HD1 LEU 67 -1.709 -2.462 -1.539 543 HD13 LEU 67 3HD1 LEU 67 -1.759 -1.223 -0.281 544 HD21 LEU 67 3HD2 LEU 67 0.703 -1.475 -0.657 545 HD22 LEU 67 1HD2 LEU 67 0.630 -2.284 -2.226 546 HD23 LEU 67 2HD2 LEU 67 1.435 -0.696 -2.048 547 H HIS 68 HN HIS 68 1.072 -2.886 -5.285 548 HA HIS 68 HA HIS 68 2.983 -3.019 -6.341 549 HD1 HIS 68 HD1 HIS 68 0.294 -2.112 -7.307 550 HD2 HIS 68 HD2 HIS 68 2.930 0.470 -9.317 551 HE1 HIS 68 HE1 HIS 68 -0.894 -1.382 -9.400 552 HB2 HIS 68 2HB HIS 68 3.128 -0.004 -6.364 553 HB3 HIS 68 3HB HIS 68 3.945 -1.130 -7.408 554 H LEU 69 HN LEU 69 3.396 -0.369 -3.912 555 HA LEU 69 HA LEU 69 5.184 0.161 -2.656 556 HG LEU 69 HG LEU 69 5.327 -2.085 0.091 557 HB2 LEU 69 2HB LEU 69 4.791 -2.667 -2.205 558 HB3 LEU 69 3HB LEU 69 6.484 -2.304 -2.038 559 HD11 LEU 69 1HD1 LEU 69 7.195 -0.710 0.073 560 HD12 LEU 69 2HD1 LEU 69 6.561 0.427 -1.110 561 HD13 LEU 69 3HD1 LEU 69 5.892 0.407 0.513 562 HD21 LEU 69 3HD2 LEU 69 3.112 -1.549 -0.652 563 HD22 LEU 69 1HD2 LEU 69 3.677 -0.271 0.421 564 HD23 LEU 69 2HD2 LEU 69 3.603 0.016 -1.313 565 H VAL 70 HN VAL 70 5.597 0.340 -5.355 566 HA VAL 70 HA VAL 70 8.318 -0.417 -5.944 567 HB VAL 70 HB VAL 70 7.834 0.947 -8.009 568 HG11 VAL 70 1HG1 VAL 70 6.254 -0.810 -8.819 569 HG12 VAL 70 2HG1 VAL 70 7.633 -1.395 -7.885 570 HG13 VAL 70 3HG1 VAL 70 6.052 -1.354 -7.134 571 HG21 VAL 70 3HG2 VAL 70 5.443 1.398 -8.544 572 HG22 VAL 70 1HG2 VAL 70 5.014 1.207 -6.846 573 HG23 VAL 70 2HG2 VAL 70 6.101 2.510 -7.358 574 H LEU 71 HN LEU 71 9.134 0.487 -3.948 575 HA LEU 71 HA LEU 71 9.360 3.295 -3.522 576 HG LEU 71 HG LEU 71 11.082 -0.058 -2.838 577 HB2 LEU 71 2HB LEU 71 10.961 2.828 -1.849 578 HB3 LEU 71 3HB LEU 71 9.627 1.702 -1.749 579 HD11 LEU 71 1HD1 LEU 71 13.587 0.341 -2.582 580 HD12 LEU 71 2HD1 LEU 71 12.861 1.144 -3.949 581 HD13 LEU 71 3HD1 LEU 71 13.242 2.076 -2.468 582 HD21 LEU 71 3HD2 LEU 71 12.148 1.199 -0.274 583 HD22 LEU 71 1HD2 LEU 71 10.720 0.140 -0.382 584 HD23 LEU 71 2HD2 LEU 71 12.319 -0.488 -0.773 585 H ARG 72 HN ARG 72 11.591 4.304 -3.280 586 HA ARG 72 HA ARG 72 13.154 4.055 -5.758 587 HE ARG 72 HE ARG 72 12.699 8.938 -3.918 588 HB2 ARG 72 2HB ARG 72 13.033 6.605 -5.892 589 HB3 ARG 72 3HB ARG 72 11.643 5.701 -6.479 590 HG2 ARG 72 2HG ARG 72 10.273 6.265 -4.670 591 HG3 ARG 72 3HG ARG 72 11.615 6.702 -3.620 592 HD2 ARG 72 2HD ARG 72 10.764 8.225 -6.089 593 HD3 ARG 72 3HD ARG 72 10.317 8.644 -4.431 594 HH11 ARG 72 2HH2 ARG 72 11.698 9.354 -7.315 595 HH12 ARG 72 1HH2 ARG 72 13.036 10.356 -7.750 596 HH21 ARG 72 2HH1 ARG 72 14.310 10.417 -4.404 597 HH22 ARG 72 1HH1 ARG 72 14.620 10.963 -6.031 598 H LEU 73 HN LEU 73 15.199 5.110 -5.559 599 HA LEU 73 HA LEU 73 17.130 5.607 -4.539 600 HG LEU 73 HG LEU 73 18.317 7.238 -3.244 601 HB2 LEU 73 2HB LEU 73 15.307 7.463 -3.546 602 HB3 LEU 73 3HB LEU 73 16.018 6.824 -2.078 603 HD11 LEU 73 1HD1 LEU 73 17.378 7.505 -5.543 604 HD12 LEU 73 2HD1 LEU 73 16.449 8.932 -4.981 605 HD13 LEU 73 3HD1 LEU 73 18.213 8.961 -5.029 606 HD21 LEU 73 3HD2 LEU 73 17.449 8.689 -1.412 607 HD22 LEU 73 1HD2 LEU 73 18.360 9.598 -2.613 608 HD23 LEU 73 2HD2 LEU 73 16.585 9.676 -2.604 609 H ARG 74 HN ARG 74 15.675 3.124 -3.832 610 HA ARG 74 HA ARG 74 16.231 1.148 -2.861 611 HE ARG 74 HE ARG 74 19.900 0.595 -4.144 612 HB2 ARG 74 2HB ARG 74 18.636 2.309 -2.912 613 HB3 ARG 74 3HB ARG 74 18.385 2.421 -1.176 614 HG2 ARG 74 2HG ARG 74 18.408 0.092 -0.876 615 HG3 ARG 74 3HG ARG 74 18.225 -0.251 -2.603 616 HD2 ARG 74 2HD ARG 74 20.615 1.245 -1.422 617 HD3 ARG 74 3HD ARG 74 20.577 -0.499 -1.696 618 HH11 ARG 74 2HH2 ARG 74 22.689 0.575 -1.968 619 HH12 ARG 74 1HH2 ARG 74 23.874 0.578 -3.217 620 HH21 ARG 74 2HH1 ARG 74 21.454 0.428 -5.854 621 HH22 ARG 74 1HH1 ARG 74 23.130 0.348 -5.463 622 H GLY 75 HN GLY 75 16.044 0.037 -0.690 623 HA2 GLY 75 1HA GLY 75 14.926 1.763 1.438 624 HA3 GLY 75 2HA GLY 75 14.050 0.304 0.913 625 H GLY 76 HN GLY 76 15.382 0.905 3.505 626 HA2 GLY 76 1HA GLY 76 16.326 -0.883 4.915 627 HA3 GLY 76 2HA GLY 76 17.445 -1.266 3.592 Start of MODEL 15 1 HA MET 1 HA MET 1 -10.843 -8.337 1.705 2 H1 MET 1 HN MET 1 -11.225 -9.629 3.760 3 HB2 MET 1 2HB MET 1 -12.248 -6.441 2.363 4 HB3 MET 1 3HB MET 1 -11.110 -5.999 3.638 5 HG2 MET 1 2HG MET 1 -9.394 -5.505 1.984 6 HG3 MET 1 3HG MET 1 -10.446 -6.060 0.668 7 HE1 MET 1 3HE MET 1 -9.038 -3.208 0.606 8 HE2 MET 1 1HE MET 1 -9.878 -1.907 1.477 9 HE3 MET 1 2HE MET 1 -9.043 -3.180 2.387 10 H GLN 2 HN GLN 2 -8.954 -9.562 1.762 11 HA GLN 2 HA GLN 2 -6.713 -8.358 3.310 12 HB2 GLN 2 2HB GLN 2 -7.035 -11.304 2.631 13 HB3 GLN 2 3HB GLN 2 -5.644 -10.513 3.369 14 HG2 GLN 2 2HG GLN 2 -6.637 -11.303 5.255 15 HG3 GLN 2 3HG GLN 2 -7.404 -9.714 5.179 16 HE21 GLN 2 1HE2 GLN 2 -7.846 -13.124 4.890 17 HE22 GLN 2 2HE2 GLN 2 -9.544 -13.042 5.173 18 H ILE 3 HN ILE 3 -5.741 -7.133 1.768 19 HA ILE 3 HA ILE 3 -5.823 -8.014 -1.054 20 HB ILE 3 HB ILE 3 -4.909 -5.864 -1.604 21 HG12 ILE 3 2HG1 ILE 3 -5.060 -4.060 0.285 22 HG13 ILE 3 3HG1 ILE 3 -4.668 -5.395 1.348 23 HG21 ILE 3 1HG2 ILE 3 -7.274 -5.695 0.327 24 HG22 ILE 3 2HG2 ILE 3 -6.910 -4.509 -0.905 25 HG23 ILE 3 3HG2 ILE 3 -7.352 -6.153 -1.384 26 HD11 ILE 3 3HD1 ILE 3 -3.028 -4.417 -1.029 27 HD12 ILE 3 1HD1 ILE 3 -2.720 -4.026 0.669 28 HD13 ILE 3 2HD1 ILE 3 -2.547 -5.696 0.123 29 H PHE 4 HN PHE 4 -3.648 -7.562 -2.238 30 HA PHE 4 HA PHE 4 -1.529 -9.144 -0.875 31 HD1 PHE 4 HD2 PHE 4 -1.865 -11.440 -1.302 32 HD2 PHE 4 HD1 PHE 4 -3.887 -9.825 -4.773 33 HE1 PHE 4 HE2 PHE 4 -3.417 -13.354 -1.292 34 HE2 PHE 4 HE1 PHE 4 -5.440 -11.757 -4.745 35 HZ PHE 4 HZ PHE 4 -5.233 -13.501 -2.976 36 HB2 PHE 4 2HB PHE 4 -2.165 -8.586 -3.799 37 HB3 PHE 4 3HB PHE 4 -0.856 -9.572 -3.252 38 H VAL 5 HN VAL 5 0.716 -8.370 -1.346 39 HA VAL 5 HA VAL 5 1.025 -5.674 -2.526 40 HB VAL 5 HB VAL 5 1.321 -6.475 0.345 41 HG11 VAL 5 1HG1 VAL 5 3.636 -6.145 0.045 42 HG12 VAL 5 2HG1 VAL 5 3.389 -4.724 -0.991 43 HG13 VAL 5 3HG1 VAL 5 3.055 -4.675 0.760 44 HG21 VAL 5 3HG2 VAL 5 1.183 -3.633 -0.468 45 HG22 VAL 5 1HG2 VAL 5 -0.302 -4.620 -0.536 46 HG23 VAL 5 2HG2 VAL 5 0.581 -4.428 0.977 47 H LYS 6 HN LYS 6 2.523 -6.099 -4.054 48 HA LYS 6 HA LYS 6 4.617 -8.148 -3.624 49 HB2 LYS 6 2HB LYS 6 3.919 -6.376 -6.017 50 HB3 LYS 6 3HB LYS 6 5.192 -7.580 -5.979 51 HG2 LYS 6 2HG LYS 6 2.823 -8.980 -5.162 52 HG3 LYS 6 3HG LYS 6 2.331 -7.920 -6.493 53 HD2 LYS 6 2HD LYS 6 4.296 -8.790 -7.807 54 HD3 LYS 6 3HD LYS 6 4.557 -9.977 -6.501 55 HE2 LYS 6 2HE LYS 6 2.330 -10.935 -6.924 56 HE3 LYS 6 3HE LYS 6 2.020 -9.702 -8.154 57 HZ1 LYS 6 3HZ LYS 6 2.687 -11.626 -9.242 58 HZ2 LYS 6 1HZ LYS 6 3.924 -10.595 -9.405 59 HZ3 LYS 6 2HZ LYS 6 4.058 -11.839 -8.323 60 H THR 7 HN THR 7 6.774 -7.593 -3.410 61 HA THR 7 HA THR 7 7.544 -4.743 -3.172 62 HB THR 7 HB THR 7 8.594 -5.332 -1.003 63 HG1 THR 7 HG1 THR 7 7.990 -7.224 0.016 64 HG21 THR 7 3HG2 THR 7 5.679 -6.130 -0.873 65 HG22 THR 7 1HG2 THR 7 6.623 -5.213 0.303 66 HG23 THR 7 2HG2 THR 7 6.179 -4.467 -1.234 67 H LEU 8 HN LEU 8 10.178 -5.416 -2.236 68 HA LEU 8 HA LEU 8 11.221 -7.380 -4.213 69 HG LEU 8 HG LEU 8 13.604 -7.707 -4.209 70 HB2 LEU 8 2HB LEU 8 12.381 -4.986 -3.937 71 HB3 LEU 8 3HB LEU 8 13.001 -5.697 -2.452 72 HD11 LEU 8 1HD1 LEU 8 12.566 -6.436 -6.108 73 HD12 LEU 8 2HD1 LEU 8 13.732 -5.126 -5.858 74 HD13 LEU 8 3HD1 LEU 8 14.293 -6.738 -6.351 75 HD21 LEU 8 3HD2 LEU 8 15.235 -5.157 -3.781 76 HD22 LEU 8 1HD2 LEU 8 15.301 -6.666 -2.838 77 HD23 LEU 8 2HD2 LEU 8 15.859 -6.666 -4.503 78 H THR 9 HN THR 9 11.637 -9.325 -3.190 79 HA THR 9 HA THR 9 11.804 -10.906 -1.634 80 HB THR 9 HB THR 9 13.141 -8.804 0.072 81 HG1 THR 9 HG1 THR 9 14.862 -8.926 -1.251 82 HG21 THR 9 3HG2 THR 9 13.117 -11.114 0.936 83 HG22 THR 9 1HG2 THR 9 13.825 -11.690 -0.600 84 HG23 THR 9 2HG2 THR 9 14.752 -10.620 0.454 85 H GLY 10 HN GLY 10 9.583 -11.103 -1.346 86 HA2 GLY 10 1HA GLY 10 8.737 -11.272 1.378 87 HA3 GLY 10 2HA GLY 10 7.920 -9.897 0.631 88 H LYS 11 HN LYS 11 8.124 -11.464 -2.016 89 HA LYS 11 HA LYS 11 6.809 -12.501 -3.366 90 HB2 LYS 11 2HB LYS 11 8.257 -14.337 -2.200 91 HB3 LYS 11 3HB LYS 11 6.705 -14.889 -1.540 92 HG2 LYS 11 2HG LYS 11 5.905 -14.652 -4.075 93 HG3 LYS 11 3HG LYS 11 7.624 -14.644 -4.434 94 HD2 LYS 11 2HD LYS 11 7.842 -16.896 -3.405 95 HD3 LYS 11 3HD LYS 11 6.114 -16.845 -2.957 96 HE2 LYS 11 2HE LYS 11 5.582 -16.437 -5.408 97 HE3 LYS 11 3HE LYS 11 7.288 -16.731 -5.776 98 HZ1 LYS 11 3HZ LYS 11 7.027 -18.960 -4.925 99 HZ2 LYS 11 1HZ LYS 11 5.463 -18.674 -4.491 100 HZ3 LYS 11 2HZ LYS 11 5.893 -18.674 -6.082 101 H THR 12 HN THR 12 5.285 -10.810 -1.678 102 HA THR 12 HA THR 12 3.160 -10.169 -2.082 103 HB THR 12 HB THR 12 2.034 -12.931 -2.346 104 HG1 THR 12 HG1 THR 12 3.638 -12.895 -3.844 105 HG21 THR 12 3HG2 THR 12 1.281 -10.282 -3.594 106 HG22 THR 12 1HG2 THR 12 0.392 -11.819 -3.724 107 HG23 THR 12 2HG2 THR 12 0.530 -11.018 -2.150 108 H ILE 13 HN ILE 13 3.124 -9.467 0.104 109 HA ILE 13 HA ILE 13 2.423 -11.484 2.136 110 HB ILE 13 HB ILE 13 2.603 -9.713 3.748 111 HG12 ILE 13 2HG1 ILE 13 4.027 -7.652 2.797 112 HG13 ILE 13 3HG1 ILE 13 2.960 -7.870 1.409 113 HG21 ILE 13 1HG2 ILE 13 4.446 -11.165 3.218 114 HG22 ILE 13 2HG2 ILE 13 5.014 -10.057 1.953 115 HG23 ILE 13 3HG2 ILE 13 5.028 -9.557 3.645 116 HD11 ILE 13 3HD1 ILE 13 2.050 -7.586 4.319 117 HD12 ILE 13 1HD1 ILE 13 2.263 -6.246 3.187 118 HD13 ILE 13 2HD1 ILE 13 1.033 -7.505 2.855 119 H THR 14 HN THR 14 0.628 -11.520 3.338 120 HA THR 14 HA THR 14 -1.852 -10.610 2.207 121 HB THR 14 HB THR 14 -1.158 -11.877 4.905 122 HG1 THR 14 HG1 THR 14 -1.307 -13.771 3.944 123 HG21 THR 14 3HG2 THR 14 -3.457 -11.044 4.888 124 HG22 THR 14 1HG2 THR 14 -3.759 -11.809 3.307 125 HG23 THR 14 2HG2 THR 14 -3.466 -12.807 4.728 126 H LEU 15 HN LEU 15 -2.981 -8.773 2.821 127 HA LEU 15 HA LEU 15 -1.932 -7.097 5.044 128 HG LEU 15 HG LEU 15 -1.537 -4.114 2.829 129 HB2 LEU 15 2HB LEU 15 -1.142 -6.621 2.542 130 HB3 LEU 15 3HB LEU 15 -2.763 -6.031 2.343 131 HD11 LEU 15 1HD1 LEU 15 -2.070 -3.220 4.962 132 HD12 LEU 15 2HD1 LEU 15 -3.451 -4.219 4.528 133 HD13 LEU 15 3HD1 LEU 15 -2.268 -4.819 5.693 134 HD21 LEU 15 3HD2 LEU 15 -0.090 -5.793 4.896 135 HD22 LEU 15 1HD2 LEU 15 0.466 -5.175 3.358 136 HD23 LEU 15 2HD2 LEU 15 0.152 -4.040 4.688 137 H GLU 16 HN GLU 16 -3.719 -6.510 6.385 138 HA GLU 16 HA GLU 16 -6.389 -6.871 5.137 139 HB2 GLU 16 2HB GLU 16 -5.901 -7.183 8.059 140 HB3 GLU 16 3HB GLU 16 -7.157 -7.821 7.002 141 HG2 GLU 16 2HG GLU 16 -5.245 -9.183 5.880 142 HG3 GLU 16 3HG GLU 16 -4.256 -8.693 7.240 143 H VAL 17 HN VAL 17 -6.080 -4.833 4.416 144 HA VAL 17 HA VAL 17 -6.511 -2.548 6.202 145 HB VAL 17 HB VAL 17 -5.023 -1.988 4.498 146 HG11 VAL 17 1HG1 VAL 17 -5.306 -2.678 2.081 147 HG12 VAL 17 2HG1 VAL 17 -4.935 -4.031 3.130 148 HG13 VAL 17 3HG1 VAL 17 -6.594 -3.762 2.583 149 HG21 VAL 17 3HG2 VAL 17 -7.042 -0.544 4.285 150 HG22 VAL 17 1HG2 VAL 17 -6.141 -0.703 2.794 151 HG23 VAL 17 2HG2 VAL 17 -7.644 -1.587 3.018 152 H GLU 18 HN GLU 18 -8.442 -1.211 5.635 153 HA GLU 18 HA GLU 18 -10.833 -2.898 5.156 154 HB2 GLU 18 2HB GLU 18 -11.132 -0.321 6.637 155 HB3 GLU 18 3HB GLU 18 -11.951 -1.854 6.864 156 HG2 GLU 18 2HG GLU 18 -10.765 -1.412 8.830 157 HG3 GLU 18 3HG GLU 18 -9.919 -2.742 8.028 158 HA PRO 19 HA PRO 19 -11.816 0.033 1.916 159 HB2 PRO 19 2HB PRO 19 -14.511 0.008 1.840 160 HB3 PRO 19 3HB PRO 19 -13.512 -1.417 1.449 161 HG2 PRO 19 2HG PRO 19 -14.855 -0.770 4.087 162 HG3 PRO 19 3HG PRO 19 -14.912 -2.309 3.156 163 HD2 PRO 19 2HD PRO 19 -13.188 -1.917 5.199 164 HD3 PRO 19 3HD PRO 19 -12.727 -2.882 3.766 165 H SER 20 HN SER 20 -11.701 1.060 4.962 166 HA SER 20 HA SER 20 -12.784 3.769 4.399 167 HG SER 20 HG SER 20 -13.158 4.568 7.102 168 HB2 SER 20 2HB SER 20 -14.270 2.296 5.830 169 HB3 SER 20 3HB SER 20 -12.964 2.317 7.034 170 H ASP 21 HN ASP 21 -10.069 2.129 4.481 171 HA ASP 21 HA ASP 21 -8.571 3.426 6.555 172 HB2 ASP 21 2HB ASP 21 -8.394 1.092 5.251 173 HB3 ASP 21 3HB ASP 21 -7.356 2.024 4.177 174 H THR 22 HN THR 22 -6.551 4.825 5.923 175 HA THR 22 HA THR 22 -7.197 6.615 3.607 176 HB THR 22 HB THR 22 -5.857 8.335 4.673 177 HG1 THR 22 HG1 THR 22 -5.540 7.945 7.025 178 HG21 THR 22 3HG2 THR 22 -7.505 8.970 6.358 179 HG22 THR 22 1HG2 THR 22 -8.321 8.253 4.969 180 HG23 THR 22 2HG2 THR 22 -8.118 7.312 6.462 181 H ILE 23 HN ILE 23 -5.164 7.420 2.441 182 HA ILE 23 HA ILE 23 -3.425 5.214 1.813 183 HB ILE 23 HB ILE 23 -3.422 8.131 1.180 184 HG12 ILE 23 2HG1 ILE 23 -3.751 7.495 -1.114 185 HG13 ILE 23 3HG1 ILE 23 -3.529 5.797 -0.721 186 HG21 ILE 23 1HG2 ILE 23 -1.267 6.185 0.291 187 HG22 ILE 23 2HG2 ILE 23 -1.521 7.804 -0.402 188 HG23 ILE 23 3HG2 ILE 23 -1.047 7.649 1.282 189 HD11 ILE 23 3HD1 ILE 23 -5.869 6.449 -1.213 190 HD12 ILE 23 1HD1 ILE 23 -5.634 5.669 0.355 191 HD13 ILE 23 2HD1 ILE 23 -5.870 7.447 0.261 192 H GLU 24 HN GLU 24 -3.203 7.940 4.167 193 HA GLU 24 HA GLU 24 -0.523 7.402 4.937 194 HB2 GLU 24 2HB GLU 24 -1.889 9.464 5.520 195 HB3 GLU 24 3HB GLU 24 -2.690 8.460 6.757 196 HG2 GLU 24 2HG GLU 24 -0.148 7.864 7.382 197 HG3 GLU 24 3HG GLU 24 0.204 9.354 6.524 198 H ASN 25 HN ASN 25 -3.664 6.181 6.373 199 HA ASN 25 HA ASN 25 -2.226 4.571 8.288 200 HB2 ASN 25 2HB ASN 25 -5.087 4.645 7.321 201 HB3 ASN 25 3HB ASN 25 -4.502 3.283 8.296 202 HD21 ASN 25 1HD2 ASN 25 -6.558 5.245 9.170 203 HD22 ASN 25 2HD2 ASN 25 -5.835 5.780 10.670 204 H VAL 26 HN VAL 26 -3.380 3.875 5.041 205 HA VAL 26 HA VAL 26 -2.843 1.056 5.105 206 HB VAL 26 HB VAL 26 -3.133 3.229 2.994 207 HG11 VAL 26 1HG1 VAL 26 -3.283 1.219 1.386 208 HG12 VAL 26 2HG1 VAL 26 -1.713 1.901 1.826 209 HG13 VAL 26 3HG1 VAL 26 -2.309 0.419 2.602 210 HG21 VAL 26 3HG2 VAL 26 -5.157 1.930 2.463 211 HG22 VAL 26 1HG2 VAL 26 -4.739 0.771 3.749 212 HG23 VAL 26 2HG2 VAL 26 -5.141 2.445 4.145 213 H LYS 27 HN LYS 27 -0.846 3.944 4.062 214 HA LYS 27 HA LYS 27 1.317 2.254 3.403 215 HB2 LYS 27 2HB LYS 27 2.688 4.089 3.153 216 HB3 LYS 27 3HB LYS 27 1.094 4.649 2.658 217 HG2 LYS 27 2HG LYS 27 0.936 5.885 4.786 218 HG3 LYS 27 3HG LYS 27 2.519 5.279 5.277 219 HD2 LYS 27 2HD LYS 27 2.729 7.528 4.486 220 HD3 LYS 27 3HD LYS 27 3.486 6.476 3.277 221 HE2 LYS 27 2HE LYS 27 1.535 6.663 1.816 222 HE3 LYS 27 3HE LYS 27 0.599 7.450 3.090 223 HZ1 LYS 27 3HZ LYS 27 2.071 9.329 2.966 224 HZ2 LYS 27 1HZ LYS 27 2.970 8.643 1.772 225 HZ3 LYS 27 2HZ LYS 27 1.401 9.095 1.506 226 H ALA 28 HN ALA 28 0.406 3.781 6.448 227 HA ALA 28 HA ALA 28 2.529 2.831 8.025 228 HB1 ALA 28 1HB ALA 28 -0.370 3.128 8.875 229 HB2 ALA 28 2HB ALA 28 1.086 3.233 9.868 230 HB3 ALA 28 3HB ALA 28 0.761 4.490 8.670 231 H LYS 29 HN LYS 29 -0.669 1.216 7.446 232 HA LYS 29 HA LYS 29 -0.213 -1.071 8.870 233 HB2 LYS 29 2HB LYS 29 -2.300 -0.345 7.564 234 HB3 LYS 29 3HB LYS 29 -1.588 -1.118 6.136 235 HG2 LYS 29 2HG LYS 29 -1.510 -3.258 7.327 236 HG3 LYS 29 3HG LYS 29 -2.066 -2.511 8.822 237 HD2 LYS 29 2HD LYS 29 -3.775 -2.297 6.323 238 HD3 LYS 29 3HD LYS 29 -3.727 -3.789 7.262 239 HE2 LYS 29 2HE LYS 29 -5.502 -2.813 8.217 240 HE3 LYS 29 3HE LYS 29 -4.237 -2.319 9.330 241 HZ1 LYS 29 3HZ LYS 29 -5.999 -0.711 8.488 242 HZ2 LYS 29 1HZ LYS 29 -4.477 -0.121 8.607 243 HZ3 LYS 29 2HZ LYS 29 -5.175 -0.496 7.147 244 H ILE 30 HN ILE 30 0.995 -0.440 5.576 245 HA ILE 30 HA ILE 30 2.076 -3.145 5.363 246 HB ILE 30 HB ILE 30 3.480 -1.276 3.660 247 HG12 ILE 30 2HG1 ILE 30 1.554 0.142 3.678 248 HG13 ILE 30 3HG1 ILE 30 1.911 -0.550 2.118 249 HG21 ILE 30 1HG2 ILE 30 3.378 -3.659 3.313 250 HG22 ILE 30 2HG2 ILE 30 1.643 -3.549 3.004 251 HG23 ILE 30 3HG2 ILE 30 2.767 -2.765 1.913 252 HD11 ILE 30 3HD1 ILE 30 0.090 -2.167 2.300 253 HD12 ILE 30 1HD1 ILE 30 -0.300 -1.599 3.937 254 HD13 ILE 30 2HD1 ILE 30 -0.481 -0.538 2.533 255 H GLN 31 HN GLN 31 3.376 0.054 6.289 256 HA GLN 31 HA GLN 31 6.108 -0.618 6.367 257 HB2 GLN 31 2HB GLN 31 6.384 1.544 7.101 258 HB3 GLN 31 3HB GLN 31 4.763 1.671 6.596 259 HG2 GLN 31 2HG GLN 31 4.565 2.718 8.550 260 HG3 GLN 31 3HG GLN 31 4.216 1.117 9.172 261 HE21 GLN 31 1HE2 GLN 31 4.738 2.475 11.185 262 HE22 GLN 31 2HE2 GLN 31 6.466 2.596 11.572 263 H ASP 32 HN ASP 32 3.500 -1.115 8.595 264 HA ASP 32 HA ASP 32 5.090 -1.985 10.844 265 HB2 ASP 32 2HB ASP 32 2.657 -0.905 10.609 266 HB3 ASP 32 3HB ASP 32 2.138 -2.583 10.518 267 H LYS 33 HN LYS 33 3.086 -3.608 8.360 268 HA LYS 33 HA LYS 33 3.461 -6.210 9.566 269 HB2 LYS 33 2HB LYS 33 2.113 -5.313 6.999 270 HB3 LYS 33 3HB LYS 33 2.200 -7.010 7.507 271 HG2 LYS 33 2HG LYS 33 1.005 -6.513 9.600 272 HG3 LYS 33 3HG LYS 33 0.996 -4.792 9.225 273 HD2 LYS 33 2HD LYS 33 -1.123 -5.418 8.523 274 HD3 LYS 33 3HD LYS 33 -0.217 -5.437 7.042 275 HE2 LYS 33 2HE LYS 33 -1.255 -7.508 6.832 276 HE3 LYS 33 3HE LYS 33 0.196 -7.999 7.704 277 HZ1 LYS 33 3HZ LYS 33 -1.107 -7.846 9.758 278 HZ2 LYS 33 1HZ LYS 33 -2.444 -7.443 8.900 279 HZ3 LYS 33 2HZ LYS 33 -1.756 -8.936 8.717 280 H GLU 34 HN GLU 34 4.752 -4.795 6.455 281 HA GLU 34 HA GLU 34 6.455 -7.227 6.250 282 HB2 GLU 34 2HB GLU 34 5.143 -6.239 4.202 283 HB3 GLU 34 3HB GLU 34 6.459 -5.053 4.136 284 HG2 GLU 34 2HG GLU 34 8.097 -6.999 4.161 285 HG3 GLU 34 3HG GLU 34 6.752 -8.114 4.157 286 H GLY 35 HN GLY 35 6.931 -6.041 8.416 287 HA2 GLY 35 1HA GLY 35 7.404 -3.770 9.236 288 HA3 GLY 35 2HA GLY 35 8.571 -4.985 9.742 289 H ILE 36 HN ILE 36 8.082 -2.066 7.943 290 HA ILE 36 HA ILE 36 10.934 -1.705 7.369 291 HB ILE 36 HB ILE 36 9.852 -2.928 5.581 292 HG12 ILE 36 2HG1 ILE 36 11.750 -1.485 5.151 293 HG13 ILE 36 3HG1 ILE 36 10.748 -1.925 3.779 294 HG21 ILE 36 1HG2 ILE 36 8.236 -2.091 4.018 295 HG22 ILE 36 2HG2 ILE 36 7.535 -2.219 5.636 296 HG23 ILE 36 3HG2 ILE 36 8.006 -0.626 5.000 297 HD11 ILE 36 3HD1 ILE 36 9.742 0.305 3.745 298 HD12 ILE 36 1HD1 ILE 36 10.827 0.793 5.083 299 HD13 ILE 36 2HD1 ILE 36 11.494 0.331 3.523 300 HA PRO 37 HA PRO 37 9.525 2.263 8.969 301 HB2 PRO 37 2HB PRO 37 11.683 3.432 7.226 302 HB3 PRO 37 3HB PRO 37 11.320 3.775 8.937 303 HG2 PRO 37 2HG PRO 37 13.392 2.153 8.269 304 HG3 PRO 37 3HG PRO 37 12.327 1.776 9.648 305 HD2 PRO 37 2HD PRO 37 12.314 0.529 6.917 306 HD3 PRO 37 3HD PRO 37 12.047 -0.215 8.516 307 HA PRO 38 HA PRO 38 7.193 4.174 5.543 308 HB2 PRO 38 2HB PRO 38 6.646 6.659 6.509 309 HB3 PRO 38 3HB PRO 38 5.885 5.189 7.189 310 HG2 PRO 38 2HG PRO 38 8.310 6.688 8.248 311 HG3 PRO 38 3HG PRO 38 6.865 6.127 9.145 312 HD2 PRO 38 2HD PRO 38 9.194 4.694 9.069 313 HD3 PRO 38 3HD PRO 38 7.598 3.921 9.156 314 H ASP 39 HN ASP 39 10.326 4.907 6.514 315 HA ASP 39 HA ASP 39 10.990 7.303 5.172 316 HB2 ASP 39 2HB ASP 39 12.264 5.882 6.939 317 HB3 ASP 39 3HB ASP 39 12.909 4.991 5.570 318 H GLN 40 HN GLN 40 11.390 3.854 4.133 319 HA GLN 40 HA GLN 40 11.819 4.804 1.348 320 HB2 GLN 40 2HB GLN 40 12.807 2.375 2.844 321 HB3 GLN 40 3HB GLN 40 13.030 2.602 1.116 322 HG2 GLN 40 2HG GLN 40 14.630 4.211 1.319 323 HG3 GLN 40 3HG GLN 40 13.914 4.930 2.749 324 HE21 GLN 40 1HE2 GLN 40 15.766 1.922 1.789 325 HE22 GLN 40 2HE2 GLN 40 16.526 1.789 3.357 326 H GLN 41 HN GLN 41 9.111 4.420 2.491 327 HA GLN 41 HA GLN 41 8.257 2.085 0.866 328 HB2 GLN 41 2HB GLN 41 8.366 1.878 3.424 329 HB3 GLN 41 3HB GLN 41 6.939 2.896 3.435 330 HG2 GLN 41 2HG GLN 41 6.185 1.150 1.467 331 HG3 GLN 41 3HG GLN 41 7.403 0.143 2.257 332 HE21 GLN 41 1HE2 GLN 41 4.919 2.451 3.409 333 HE22 GLN 41 2HE2 GLN 41 4.136 1.321 4.507 334 H ARG 42 HN ARG 42 7.610 3.254 -0.954 335 HA ARG 42 HA ARG 42 5.476 5.248 -0.597 336 HE ARG 42 HE ARG 42 7.278 5.687 -5.292 337 HB2 ARG 42 2HB ARG 42 5.579 5.625 -2.917 338 HB3 ARG 42 3HB ARG 42 7.204 5.546 -2.315 339 HG2 ARG 42 2HG ARG 42 7.771 3.973 -3.813 340 HG3 ARG 42 3HG ARG 42 6.516 2.893 -3.237 341 HD2 ARG 42 2HD ARG 42 5.914 3.226 -5.464 342 HD3 ARG 42 3HD ARG 42 4.862 4.353 -4.621 343 HH11 ARG 42 2HH2 ARG 42 4.496 4.229 -6.871 344 HH12 ARG 42 1HH2 ARG 42 4.810 4.909 -8.435 345 HH21 ARG 42 2HH1 ARG 42 7.514 6.913 -7.314 346 HH22 ARG 42 1HH1 ARG 42 6.308 6.821 -8.531 347 H LEU 43 HN LEU 43 3.380 5.074 -1.623 348 HA LEU 43 HA LEU 43 2.290 2.333 -1.944 349 HG LEU 43 HG LEU 43 0.501 3.130 1.216 350 HB2 LEU 43 2HB LEU 43 1.311 4.698 -0.325 351 HB3 LEU 43 3HB LEU 43 0.111 3.732 -1.145 352 HD11 LEU 43 1HD1 LEU 43 -0.386 1.542 -0.621 353 HD12 LEU 43 2HD1 LEU 43 1.153 0.658 -0.304 354 HD13 LEU 43 3HD1 LEU 43 0.032 0.933 0.980 355 HD21 LEU 43 3HD2 LEU 43 3.051 3.300 1.152 356 HD22 LEU 43 1HD2 LEU 43 2.482 1.763 1.835 357 HD23 LEU 43 2HD2 LEU 43 3.059 1.813 0.209 358 H ILE 44 HN ILE 44 0.821 2.149 -3.791 359 HA ILE 44 HA ILE 44 0.173 4.500 -5.368 360 HB ILE 44 HB ILE 44 2.510 3.979 -5.915 361 HG12 ILE 44 2HG1 ILE 44 1.146 5.152 -7.470 362 HG13 ILE 44 3HG1 ILE 44 2.376 4.196 -8.273 363 HG21 ILE 44 1HG2 ILE 44 3.310 2.109 -7.056 364 HG22 ILE 44 2HG2 ILE 44 2.319 1.438 -5.750 365 HG23 ILE 44 3HG2 ILE 44 1.691 1.456 -7.362 366 HD11 ILE 44 3HD1 ILE 44 0.290 4.146 -9.525 367 HD12 ILE 44 1HD1 ILE 44 0.682 2.525 -8.963 368 HD13 ILE 44 2HD1 ILE 44 -0.582 3.465 -8.152 369 H PHE 45 HN PHE 45 -2.134 3.984 -5.748 370 HA PHE 45 HA PHE 45 -2.806 1.099 -5.943 371 HD1 PHE 45 HD1 PHE 45 -4.276 -0.022 -4.767 372 HD2 PHE 45 HD2 PHE 45 -5.611 3.985 -3.929 373 HE1 PHE 45 HE1 PHE 45 -4.966 -0.723 -2.528 374 HE2 PHE 45 HE2 PHE 45 -6.235 3.295 -1.642 375 HZ PHE 45 HZ PHE 45 -5.960 0.944 -0.937 376 HB2 PHE 45 2HB PHE 45 -4.565 3.556 -6.009 377 HB3 PHE 45 3HB PHE 45 -5.122 1.986 -6.559 378 H ALA 46 HN ALA 46 -1.433 0.689 -7.609 379 HA ALA 46 HA ALA 46 -0.906 0.418 -9.892 380 HB1 ALA 46 1HB ALA 46 -2.166 -1.443 -8.925 381 HB2 ALA 46 2HB ALA 46 -3.697 -0.670 -9.381 382 HB3 ALA 46 3HB ALA 46 -2.574 -1.226 -10.634 383 H GLY 47 HN GLY 47 -0.798 2.494 -10.796 384 HA2 GLY 47 1HA GLY 47 -1.602 3.391 -12.990 385 HA3 GLY 47 2HA GLY 47 -3.210 3.490 -12.251 386 H LYS 48 HN LYS 48 -3.351 4.768 -10.198 387 HA LYS 48 HA LYS 48 -2.141 7.332 -10.714 388 HB2 LYS 48 2HB LYS 48 -3.684 8.202 -9.190 389 HB3 LYS 48 3HB LYS 48 -4.512 6.887 -10.002 390 HG2 LYS 48 2HG LYS 48 -4.022 5.441 -7.955 391 HG3 LYS 48 3HG LYS 48 -3.458 6.905 -7.144 392 HD2 LYS 48 2HD LYS 48 -6.208 6.487 -8.335 393 HD3 LYS 48 3HD LYS 48 -5.844 6.343 -6.620 394 HE2 LYS 48 2HE LYS 48 -5.311 8.903 -8.188 395 HE3 LYS 48 3HE LYS 48 -6.912 8.533 -7.590 396 HZ1 LYS 48 3HZ LYS 48 -5.717 9.947 -6.101 397 HZ2 LYS 48 1HZ LYS 48 -6.094 8.555 -5.354 398 HZ3 LYS 48 2HZ LYS 48 -4.543 8.839 -5.840 399 H GLN 49 HN GLN 49 -0.537 8.346 -9.678 400 HA GLN 49 HA GLN 49 1.488 7.154 -8.105 401 HB2 GLN 49 2HB GLN 49 0.710 9.996 -8.769 402 HB3 GLN 49 3HB GLN 49 1.880 9.713 -7.486 403 HG2 GLN 49 2HG GLN 49 3.252 8.327 -9.031 404 HG3 GLN 49 3HG GLN 49 2.123 8.706 -10.334 405 HE21 GLN 49 1HE2 GLN 49 3.622 10.893 -7.742 406 HE22 GLN 49 2HE2 GLN 49 4.412 11.867 -8.985 407 H LEU 50 HN LEU 50 -1.564 8.128 -7.110 408 HA LEU 50 HA LEU 50 -2.689 7.933 -5.220 409 HG LEU 50 HG LEU 50 -2.246 6.649 -2.581 410 HB2 LEU 50 2HB LEU 50 -1.572 5.711 -5.391 411 HB3 LEU 50 3HB LEU 50 -0.384 6.278 -4.197 412 HD11 LEU 50 1HD1 LEU 50 -3.926 5.434 -4.830 413 HD12 LEU 50 2HD1 LEU 50 -4.446 5.590 -3.125 414 HD13 LEU 50 3HD1 LEU 50 -4.145 7.027 -4.046 415 HD21 LEU 50 3HD2 LEU 50 -2.494 3.795 -3.543 416 HD22 LEU 50 1HD2 LEU 50 -0.978 4.424 -2.865 417 HD23 LEU 50 2HD2 LEU 50 -2.453 4.407 -1.909 418 H GLU 51 HN GLU 51 -2.001 10.195 -5.295 419 HA GLU 51 HA GLU 51 -1.359 11.413 -2.777 420 HB2 GLU 51 2HB GLU 51 -2.009 12.369 -5.115 421 HB3 GLU 51 3HB GLU 51 -3.650 11.898 -4.728 422 HG2 GLU 51 2HG GLU 51 -3.555 13.411 -2.720 423 HG3 GLU 51 3HG GLU 51 -1.921 13.904 -3.203 424 H ASP 52 HN ASP 52 -2.460 11.226 -0.970 425 HA ASP 52 HA ASP 52 -4.520 9.424 -0.194 426 HB2 ASP 52 2HB ASP 52 -4.417 11.110 1.821 427 HB3 ASP 52 3HB ASP 52 -2.997 10.116 1.494 428 H GLY 53 HN GLY 53 -5.228 12.800 0.649 429 HA2 GLY 53 1HA GLY 53 -6.965 14.161 0.141 430 HA3 GLY 53 2HA GLY 53 -6.968 13.498 -1.473 431 H ARG 54 HN ARG 54 -8.016 11.184 -1.515 432 HA ARG 54 HA ARG 54 -10.784 11.588 -0.558 433 HE ARG 54 HE ARG 54 -13.134 12.900 -1.461 434 HB2 ARG 54 2HB ARG 54 -9.667 10.775 -3.028 435 HB3 ARG 54 3HB ARG 54 -10.666 9.443 -2.523 436 HG2 ARG 54 2HG ARG 54 -11.480 12.376 -2.773 437 HG3 ARG 54 3HG ARG 54 -11.781 11.120 -3.959 438 HD2 ARG 54 2HD ARG 54 -13.748 10.811 -2.981 439 HD3 ARG 54 3HD ARG 54 -12.884 9.968 -1.702 440 HH11 ARG 54 2HH2 ARG 54 -14.985 9.977 -0.831 441 HH12 ARG 54 1HH2 ARG 54 -15.452 10.441 0.776 442 HH21 ARG 54 2HH1 ARG 54 -14.170 13.693 0.447 443 HH22 ARG 54 1HH1 ARG 54 -15.117 12.583 1.417 444 H THR 55 HN THR 55 -10.882 8.359 -1.141 445 HA THR 55 HA THR 55 -9.699 7.580 1.347 446 HB THR 55 HB THR 55 -11.815 8.652 2.055 447 HG1 THR 55 HG1 THR 55 -11.055 7.147 3.409 448 HG21 THR 55 3HG2 THR 55 -13.961 7.522 1.769 449 HG22 THR 55 1HG2 THR 55 -13.341 8.144 0.245 450 HG23 THR 55 2HG2 THR 55 -13.244 6.419 0.571 451 H LEU 56 HN LEU 56 -10.441 5.330 1.844 452 HA LEU 56 HA LEU 56 -9.620 3.730 -0.230 453 HG LEU 56 HG LEU 56 -8.846 1.652 2.628 454 HB2 LEU 56 2HB LEU 56 -10.355 3.409 2.543 455 HB3 LEU 56 3HB LEU 56 -11.094 2.150 1.605 456 HD11 LEU 56 1HD1 LEU 56 -9.559 1.124 -0.230 457 HD12 LEU 56 2HD1 LEU 56 -8.264 0.241 0.647 458 HD13 LEU 56 3HD1 LEU 56 -9.928 0.160 1.186 459 HD21 LEU 56 3HD2 LEU 56 -6.871 1.991 1.191 460 HD22 LEU 56 1HD2 LEU 56 -7.708 3.243 0.308 461 HD23 LEU 56 2HD2 LEU 56 -7.388 3.426 2.055 462 H SER 57 HN SER 57 -12.992 4.350 0.908 463 HA SER 57 HA SER 57 -14.281 2.574 -0.867 464 HG SER 57 HG SER 57 -14.828 3.698 1.870 465 HB2 SER 57 2HB SER 57 -15.273 5.208 0.323 466 HB3 SER 57 3HB SER 57 -16.280 4.014 -0.512 467 H ASP 58 HN ASP 58 -12.420 5.236 -1.840 468 HA ASP 58 HA ASP 58 -14.083 5.637 -4.277 469 HB2 ASP 58 2HB ASP 58 -13.566 7.690 -3.047 470 HB3 ASP 58 3HB ASP 58 -11.843 7.350 -3.195 471 H TYR 59 HN TYR 59 -10.641 5.365 -3.232 472 HA TYR 59 HA TYR 59 -9.938 4.437 -5.875 473 HD1 TYR 59 HD2 TYR 59 -8.930 6.386 -6.569 474 HD2 TYR 59 HD1 TYR 59 -7.903 6.350 -2.368 475 HE1 TYR 59 HE2 TYR 59 -8.849 8.847 -6.582 476 HE2 TYR 59 HE1 TYR 59 -7.608 8.814 -2.427 477 HH TYR 59 HH TYR 59 -8.364 10.727 -5.376 478 HB2 TYR 59 2HB TYR 59 -8.110 4.376 -3.486 479 HB3 TYR 59 3HB TYR 59 -7.709 4.340 -5.198 480 H ASN 60 HN ASN 60 -11.886 2.868 -4.554 481 HA ASN 60 HA ASN 60 -10.974 0.970 -2.803 482 HB2 ASN 60 2HB ASN 60 -13.255 2.155 -3.189 483 HB3 ASN 60 3HB ASN 60 -13.560 0.836 -4.322 484 HD21 ASN 60 1HD2 ASN 60 -15.412 0.703 -2.775 485 HD22 ASN 60 2HD2 ASN 60 -15.217 -0.367 -1.385 486 H ILE 61 HN ILE 61 -11.159 -1.305 -2.737 487 HA ILE 61 HA ILE 61 -10.591 -2.866 -5.154 488 HB ILE 61 HB ILE 61 -8.283 -3.069 -4.443 489 HG12 ILE 61 2HG1 ILE 61 -8.325 -2.408 -2.068 490 HG13 ILE 61 3HG1 ILE 61 -7.140 -1.493 -2.977 491 HG21 ILE 61 1HG2 ILE 61 -8.961 -0.285 -5.299 492 HG22 ILE 61 2HG2 ILE 61 -7.314 -0.882 -5.174 493 HG23 ILE 61 3HG2 ILE 61 -8.471 -1.659 -6.248 494 HD11 ILE 61 3HD1 ILE 61 -9.711 -0.515 -1.771 495 HD12 ILE 61 1HD1 ILE 61 -8.046 0.070 -1.592 496 HD13 ILE 61 2HD1 ILE 61 -8.888 0.358 -3.099 497 H GLN 62 HN GLN 62 -10.186 -5.092 -4.602 498 HA GLN 62 HA GLN 62 -9.943 -6.032 -1.821 499 HB2 GLN 62 2HB GLN 62 -12.199 -7.228 -2.035 500 HB3 GLN 62 3HB GLN 62 -12.262 -5.499 -1.760 501 HG2 GLN 62 2HG GLN 62 -12.646 -5.126 -4.240 502 HG3 GLN 62 3HG GLN 62 -12.583 -6.879 -4.464 503 HE21 GLN 62 1HE2 GLN 62 -14.273 -4.398 -2.394 504 HE22 GLN 62 2HE2 GLN 62 -15.866 -4.987 -2.724 505 H LYS 63 HN LYS 63 -8.474 -6.346 -4.257 506 HA LYS 63 HA LYS 63 -7.593 -9.020 -4.366 507 HB2 LYS 63 2HB LYS 63 -9.897 -8.391 -6.251 508 HB3 LYS 63 3HB LYS 63 -8.479 -9.087 -6.970 509 HG2 LYS 63 2HG LYS 63 -9.143 -11.064 -6.585 510 HG3 LYS 63 3HG LYS 63 -8.914 -10.843 -4.872 511 HD2 LYS 63 2HD LYS 63 -11.192 -10.735 -4.478 512 HD3 LYS 63 3HD LYS 63 -11.517 -9.809 -5.942 513 HE2 LYS 63 2HE LYS 63 -11.308 -11.825 -7.326 514 HE3 LYS 63 3HE LYS 63 -10.901 -12.791 -5.904 515 HZ1 LYS 63 3HZ LYS 63 -13.053 -12.335 -5.008 516 HZ2 LYS 63 1HZ LYS 63 -13.465 -11.377 -6.294 517 HZ3 LYS 63 2HZ LYS 63 -13.235 -12.999 -6.479 518 H GLU 64 HN GLU 64 -8.577 -6.709 -6.864 519 HA GLU 64 HA GLU 64 -5.972 -6.477 -8.014 520 HB2 GLU 64 2HB GLU 64 -8.752 -5.389 -8.508 521 HB3 GLU 64 3HB GLU 64 -7.387 -4.677 -9.351 522 HG2 GLU 64 2HG GLU 64 -6.896 -7.412 -9.674 523 HG3 GLU 64 3HG GLU 64 -8.657 -7.336 -9.702 524 H SER 65 HN SER 65 -6.915 -5.200 -5.283 525 HA SER 65 HA SER 65 -5.899 -2.564 -5.062 526 HG SER 65 HG SER 65 -5.699 -2.865 -1.808 527 HB2 SER 65 2HB SER 65 -6.967 -3.866 -3.171 528 HB3 SER 65 3HB SER 65 -5.706 -5.046 -3.313 529 H THR 66 HN THR 66 -4.123 -5.531 -4.277 530 HA THR 66 HA THR 66 -1.786 -5.734 -4.139 531 HB THR 66 HB THR 66 -2.862 -7.364 -5.420 532 HG1 THR 66 HG1 THR 66 -0.685 -6.909 -7.066 533 HG21 THR 66 3HG2 THR 66 -3.970 -6.081 -7.122 534 HG22 THR 66 1HG2 THR 66 -2.438 -5.578 -7.834 535 HG23 THR 66 2HG2 THR 66 -2.949 -7.278 -7.890 536 H LEU 67 HN LEU 67 -1.520 -3.428 -3.678 537 HA LEU 67 HA LEU 67 -1.320 -1.756 -5.871 538 HG LEU 67 HG LEU 67 -0.799 0.073 -2.142 539 HB2 LEU 67 2HB LEU 67 -1.401 -0.038 -4.356 540 HB3 LEU 67 3HB LEU 67 -2.176 -1.329 -3.538 541 HD11 LEU 67 1HD1 LEU 67 0.264 -1.623 -0.823 542 HD12 LEU 67 2HD1 LEU 67 -1.260 -2.246 -1.476 543 HD13 LEU 67 3HD1 LEU 67 0.279 -2.736 -2.224 544 HD21 LEU 67 3HD2 LEU 67 1.773 -1.073 -3.155 545 HD22 LEU 67 1HD2 LEU 67 1.071 0.357 -3.938 546 HD23 LEU 67 2HD2 LEU 67 1.505 0.393 -2.258 547 H HIS 68 HN HIS 68 1.168 -3.656 -4.721 548 HA HIS 68 HA HIS 68 3.333 -3.824 -4.929 549 HD1 HIS 68 HD1 HIS 68 5.011 -0.850 -7.441 550 HD2 HIS 68 HD2 HIS 68 1.222 -2.139 -8.683 551 HE1 HIS 68 HE1 HIS 68 4.226 0.842 -9.172 552 HB2 HIS 68 2HB HIS 68 4.358 -3.490 -6.974 553 HB3 HIS 68 3HB HIS 68 2.689 -3.912 -7.287 554 H LEU 69 HN LEU 69 4.668 -3.050 -3.418 555 HA LEU 69 HA LEU 69 4.990 -0.145 -2.988 556 HG LEU 69 HG LEU 69 4.484 -2.861 -1.036 557 HB2 LEU 69 2HB LEU 69 6.729 -2.288 -1.814 558 HB3 LEU 69 3HB LEU 69 6.519 -0.633 -1.281 559 HD11 LEU 69 1HD1 LEU 69 4.935 -2.721 1.363 560 HD12 LEU 69 2HD1 LEU 69 6.472 -2.909 0.533 561 HD13 LEU 69 3HD1 LEU 69 5.986 -1.321 1.121 562 HD21 LEU 69 3HD2 LEU 69 3.089 -1.309 0.224 563 HD22 LEU 69 1HD2 LEU 69 4.280 -0.016 -0.023 564 HD23 LEU 69 2HD2 LEU 69 3.371 -0.668 -1.397 565 H VAL 70 HN VAL 70 7.513 0.641 -3.118 566 HA VAL 70 HA VAL 70 8.845 -0.528 -5.428 567 HB VAL 70 HB VAL 70 7.958 2.366 -5.655 568 HG11 VAL 70 1HG1 VAL 70 10.049 1.818 -6.795 569 HG12 VAL 70 2HG1 VAL 70 9.280 0.438 -7.604 570 HG13 VAL 70 3HG1 VAL 70 8.765 2.093 -7.976 571 HG21 VAL 70 3HG2 VAL 70 5.920 0.968 -5.995 572 HG22 VAL 70 1HG2 VAL 70 6.455 1.752 -7.476 573 HG23 VAL 70 2HG2 VAL 70 6.796 0.040 -7.224 574 H LEU 71 HN LEU 71 10.902 -0.584 -4.793 575 HA LEU 71 HA LEU 71 11.850 1.014 -2.581 576 HG LEU 71 HG LEU 71 12.564 -1.110 -1.601 577 HB2 LEU 71 2HB LEU 71 13.297 -0.818 -4.560 578 HB3 LEU 71 3HB LEU 71 14.098 0.064 -3.291 579 HD11 LEU 71 1HD1 LEU 71 12.032 -2.781 -4.089 580 HD12 LEU 71 2HD1 LEU 71 11.804 -3.385 -2.439 581 HD13 LEU 71 3HD1 LEU 71 10.831 -2.035 -2.995 582 HD21 LEU 71 3HD2 LEU 71 14.007 -3.117 -1.606 583 HD22 LEU 71 1HD2 LEU 71 14.548 -2.733 -3.259 584 HD23 LEU 71 2HD2 LEU 71 14.930 -1.649 -1.905 585 H ARG 72 HN ARG 72 13.242 2.696 -2.645 586 HA ARG 72 HA ARG 72 14.716 3.326 -5.016 587 HE ARG 72 HE ARG 72 14.289 4.273 -8.322 588 HB2 ARG 72 2HB ARG 72 12.396 4.981 -4.459 589 HB3 ARG 72 3HB ARG 72 13.815 5.906 -4.029 590 HG2 ARG 72 2HG ARG 72 13.685 6.500 -6.231 591 HG3 ARG 72 3HG ARG 72 14.737 5.102 -6.393 592 HD2 ARG 72 2HD ARG 72 12.110 4.048 -6.518 593 HD3 ARG 72 3HD ARG 72 11.985 5.586 -7.361 594 HH11 ARG 72 2HH2 ARG 72 10.773 3.747 -8.294 595 HH12 ARG 72 1HH2 ARG 72 10.775 2.570 -9.549 596 HH21 ARG 72 2HH1 ARG 72 14.301 2.827 -10.095 597 HH22 ARG 72 1HH1 ARG 72 12.823 2.073 -10.625 598 H LEU 73 HN LEU 73 16.658 4.357 -4.340 599 HA LEU 73 HA LEU 73 17.147 4.543 -1.432 600 HG LEU 73 HG LEU 73 18.677 6.481 -4.211 601 HB2 LEU 73 2HB LEU 73 19.334 5.267 -1.940 602 HB3 LEU 73 3HB LEU 73 19.044 3.790 -2.832 603 HD11 LEU 73 1HD1 LEU 73 21.048 6.402 -4.877 604 HD12 LEU 73 2HD1 LEU 73 20.877 6.596 -3.120 605 HD13 LEU 73 3HD1 LEU 73 21.310 5.023 -3.807 606 HD21 LEU 73 3HD2 LEU 73 17.982 4.507 -5.493 607 HD22 LEU 73 1HD2 LEU 73 19.439 5.193 -6.189 608 HD23 LEU 73 2HD2 LEU 73 19.571 3.732 -5.184 609 H ARG 74 HN ARG 74 17.830 6.708 -0.610 610 HA ARG 74 HA ARG 74 16.871 9.018 -2.129 611 HE ARG 74 HE ARG 74 14.039 11.459 -2.571 612 HB2 ARG 74 2HB ARG 74 15.087 7.806 -0.425 613 HB3 ARG 74 3HB ARG 74 15.932 8.828 0.725 614 HG2 ARG 74 2HG ARG 74 14.435 10.403 0.064 615 HG3 ARG 74 3HG ARG 74 15.547 10.618 -1.282 616 HD2 ARG 74 2HD ARG 74 14.117 8.708 -2.403 617 HD3 ARG 74 3HD ARG 74 12.899 9.188 -1.212 618 HH11 ARG 74 2HH2 ARG 74 11.638 8.869 -3.028 619 HH12 ARG 74 1HH2 ARG 74 10.773 9.705 -4.271 620 HH21 ARG 74 2HH1 ARG 74 13.004 12.455 -4.357 621 HH22 ARG 74 1HH1 ARG 74 11.587 11.757 -5.070 622 H GLY 75 HN GLY 75 17.216 10.954 -0.195 623 HA2 GLY 75 1HA GLY 75 19.740 10.474 1.239 624 HA3 GLY 75 2HA GLY 75 19.595 11.909 0.187 625 H GLY 76 HN GLY 76 19.048 10.761 3.315 626 HA2 GLY 76 1HA GLY 76 16.490 11.918 3.904 627 HA3 GLY 76 2HA GLY 76 17.689 11.315 5.059 Start of MODEL 16 1 HA MET 1 HA MET 1 -10.939 -8.050 3.462 2 H1 MET 1 HN MET 1 -10.482 -7.645 5.753 3 HB2 MET 1 2HB MET 1 -12.051 -6.240 2.678 4 HB3 MET 1 3HB MET 1 -10.969 -5.061 3.347 5 HG2 MET 1 2HG MET 1 -10.100 -6.813 1.038 6 HG3 MET 1 3HG MET 1 -11.127 -5.421 0.778 7 HE1 MET 1 3HE MET 1 -9.910 -3.211 2.902 8 HE2 MET 1 1HE MET 1 -8.878 -2.358 1.749 9 HE3 MET 1 2HE MET 1 -10.495 -2.904 1.245 10 H GLN 2 HN GLN 2 -9.267 -8.902 2.264 11 HA GLN 2 HA GLN 2 -6.554 -8.204 3.270 12 HB2 GLN 2 2HB GLN 2 -5.919 -10.579 2.737 13 HB3 GLN 2 3HB GLN 2 -6.922 -10.311 4.151 14 HG2 GLN 2 2HG GLN 2 -8.932 -11.058 2.954 15 HG3 GLN 2 3HG GLN 2 -8.047 -11.142 1.433 16 HE21 GLN 2 1HE2 GLN 2 -6.655 -12.889 1.082 17 HE22 GLN 2 2HE2 GLN 2 -6.466 -14.243 2.154 18 H ILE 3 HN ILE 3 -4.852 -8.301 1.910 19 HA ILE 3 HA ILE 3 -5.199 -8.180 -0.982 20 HB ILE 3 HB ILE 3 -5.957 -6.096 -0.790 21 HG12 ILE 3 2HG1 ILE 3 -3.518 -5.764 -1.519 22 HG13 ILE 3 3HG1 ILE 3 -4.478 -4.368 -1.062 23 HG21 ILE 3 1HG2 ILE 3 -6.542 -6.005 1.531 24 HG22 ILE 3 2HG2 ILE 3 -4.875 -5.731 2.006 25 HG23 ILE 3 3HG2 ILE 3 -5.768 -4.507 1.087 26 HD11 ILE 3 3HD1 ILE 3 -3.377 -4.137 1.067 27 HD12 ILE 3 1HD1 ILE 3 -2.470 -5.647 0.806 28 HD13 ILE 3 2HD1 ILE 3 -2.175 -4.243 -0.210 29 H PHE 4 HN PHE 4 -3.081 -8.325 -1.964 30 HA PHE 4 HA PHE 4 -0.964 -9.300 -0.127 31 HD1 PHE 4 HD2 PHE 4 -0.564 -11.867 -0.640 32 HD2 PHE 4 HD1 PHE 4 -3.006 -10.267 -3.826 33 HE1 PHE 4 HE2 PHE 4 -2.012 -13.867 -0.514 34 HE2 PHE 4 HE1 PHE 4 -4.497 -12.260 -3.644 35 HZ PHE 4 HZ PHE 4 -3.993 -14.049 -2.000 36 HB2 PHE 4 2HB PHE 4 -1.005 -9.150 -3.163 37 HB3 PHE 4 3HB PHE 4 0.198 -9.957 -2.170 38 H VAL 5 HN VAL 5 1.356 -8.478 -0.886 39 HA VAL 5 HA VAL 5 1.212 -5.693 -1.835 40 HB VAL 5 HB VAL 5 1.621 -6.474 0.900 41 HG11 VAL 5 1HG1 VAL 5 3.716 -5.352 1.479 42 HG12 VAL 5 2HG1 VAL 5 3.971 -6.829 0.539 43 HG13 VAL 5 3HG1 VAL 5 4.141 -5.250 -0.242 44 HG21 VAL 5 3HG2 VAL 5 0.360 -4.585 0.019 45 HG22 VAL 5 1HG2 VAL 5 1.435 -4.194 1.332 46 HG23 VAL 5 2HG2 VAL 5 1.895 -3.746 -0.337 47 H LYS 6 HN LYS 6 3.177 -5.009 -2.807 48 HA LYS 6 HA LYS 6 5.007 -7.239 -3.557 49 HB2 LYS 6 2HB LYS 6 3.574 -5.299 -5.396 50 HB3 LYS 6 3HB LYS 6 5.089 -6.105 -5.843 51 HG2 LYS 6 2HG LYS 6 4.059 -8.307 -5.507 52 HG3 LYS 6 3HG LYS 6 2.540 -7.559 -4.989 53 HD2 LYS 6 2HD LYS 6 2.341 -8.281 -7.293 54 HD3 LYS 6 3HD LYS 6 2.334 -6.507 -7.251 55 HE2 LYS 6 2HE LYS 6 4.684 -6.443 -7.937 56 HE3 LYS 6 3HE LYS 6 4.785 -8.218 -7.875 57 HZ1 LYS 6 3HZ LYS 6 3.380 -8.370 -9.737 58 HZ2 LYS 6 1HZ LYS 6 2.925 -6.797 -9.678 59 HZ3 LYS 6 2HZ LYS 6 4.449 -7.161 -10.098 60 H THR 7 HN THR 7 6.624 -6.645 -2.266 61 HA THR 7 HA THR 7 7.837 -3.984 -2.303 62 HB THR 7 HB THR 7 9.548 -5.469 -0.963 63 HG1 THR 7 HG1 THR 7 8.837 -7.534 -1.345 64 HG21 THR 7 3HG2 THR 7 8.213 -5.270 1.073 65 HG22 THR 7 1HG2 THR 7 8.011 -3.821 0.084 66 HG23 THR 7 2HG2 THR 7 6.725 -5.058 0.140 67 H LEU 8 HN LEU 8 8.290 -3.755 -4.546 68 HA LEU 8 HA LEU 8 9.626 -3.842 -6.353 69 HG LEU 8 HG LEU 8 12.274 -4.534 -7.106 70 HB2 LEU 8 2HB LEU 8 11.271 -3.853 -4.307 71 HB3 LEU 8 3HB LEU 8 11.619 -5.496 -4.806 72 HD11 LEU 8 1HD1 LEU 8 12.858 -2.127 -7.108 73 HD12 LEU 8 2HD1 LEU 8 11.132 -2.389 -7.031 74 HD13 LEU 8 3HD1 LEU 8 12.019 -1.918 -5.562 75 HD21 LEU 8 3HD2 LEU 8 13.774 -3.631 -4.625 76 HD22 LEU 8 1HD2 LEU 8 13.908 -5.207 -5.466 77 HD23 LEU 8 2HD2 LEU 8 14.453 -3.729 -6.266 78 H THR 9 HN THR 9 7.892 -6.369 -5.757 79 HA THR 9 HA THR 9 6.958 -7.594 -7.420 80 HB THR 9 HB THR 9 9.516 -7.549 -9.061 81 HG1 THR 9 HG1 THR 9 8.844 -5.528 -9.242 82 HG21 THR 9 3HG2 THR 9 7.964 -8.105 -10.909 83 HG22 THR 9 1HG2 THR 9 8.047 -9.394 -9.706 84 HG23 THR 9 2HG2 THR 9 6.642 -8.313 -9.733 85 H GLY 10 HN GLY 10 6.824 -9.005 -5.685 86 HA2 GLY 10 1HA GLY 10 7.342 -11.703 -6.378 87 HA3 GLY 10 2HA GLY 10 8.417 -11.154 -5.065 88 H LYS 11 HN LYS 11 5.007 -11.371 -6.078 89 HA LYS 11 HA LYS 11 3.893 -9.852 -3.989 90 HB2 LYS 11 2HB LYS 11 1.742 -10.792 -4.631 91 HB3 LYS 11 3HB LYS 11 2.702 -10.398 -6.061 92 HG2 LYS 11 2HG LYS 11 3.360 -12.892 -6.147 93 HG3 LYS 11 3HG LYS 11 2.130 -13.151 -4.909 94 HD2 LYS 11 2HD LYS 11 0.474 -11.977 -6.529 95 HD3 LYS 11 3HD LYS 11 1.763 -12.104 -7.740 96 HE2 LYS 11 2HE LYS 11 0.415 -14.023 -8.081 97 HE3 LYS 11 3HE LYS 11 1.842 -14.615 -7.208 98 HZ1 LYS 11 3HZ LYS 11 -0.180 -15.487 -6.284 99 HZ2 LYS 11 1HZ LYS 11 0.514 -14.507 -5.177 100 HZ3 LYS 11 2HZ LYS 11 -0.808 -13.988 -6.031 101 H THR 12 HN THR 12 3.384 -10.160 -1.871 102 HA THR 12 HA THR 12 3.527 -12.803 -0.629 103 HB THR 12 HB THR 12 5.751 -10.728 -0.672 104 HG1 THR 12 HG1 THR 12 5.524 -12.749 -2.003 105 HG21 THR 12 3HG2 THR 12 6.992 -12.009 1.031 106 HG22 THR 12 1HG2 THR 12 5.633 -11.133 1.709 107 HG23 THR 12 2HG2 THR 12 5.511 -12.898 1.448 108 H ILE 13 HN ILE 13 3.513 -12.371 1.832 109 HA ILE 13 HA ILE 13 2.737 -11.633 3.672 110 HB ILE 13 HB ILE 13 4.067 -9.515 2.557 111 HG12 ILE 13 2HG1 ILE 13 2.917 -9.623 5.366 112 HG13 ILE 13 3HG1 ILE 13 4.325 -10.516 4.776 113 HG21 ILE 13 1HG2 ILE 13 3.021 -7.450 2.906 114 HG22 ILE 13 2HG2 ILE 13 1.845 -8.408 1.993 115 HG23 ILE 13 3HG2 ILE 13 1.631 -8.158 3.745 116 HD11 ILE 13 3HD1 ILE 13 4.110 -7.487 4.999 117 HD12 ILE 13 1HD1 ILE 13 5.099 -8.578 5.979 118 HD13 ILE 13 2HD1 ILE 13 5.479 -8.363 4.259 119 H THR 14 HN THR 14 0.964 -10.259 4.832 120 HA THR 14 HA THR 14 -1.522 -10.278 3.283 121 HB THR 14 HB THR 14 -1.395 -11.367 6.114 122 HG1 THR 14 HG1 THR 14 -1.571 -13.414 5.166 123 HG21 THR 14 3HG2 THR 14 -3.586 -12.345 5.435 124 HG22 THR 14 1HG2 THR 14 -3.613 -10.595 5.301 125 HG23 THR 14 2HG2 THR 14 -3.436 -11.595 3.832 126 H LEU 15 HN LEU 15 -3.029 -8.730 4.044 127 HA LEU 15 HA LEU 15 -1.970 -6.662 5.825 128 HG LEU 15 HG LEU 15 -1.142 -4.287 3.079 129 HB2 LEU 15 2HB LEU 15 -1.256 -6.590 3.241 130 HB3 LEU 15 3HB LEU 15 -2.895 -6.056 2.983 131 HD11 LEU 15 1HD1 LEU 15 -3.390 -3.607 3.435 132 HD12 LEU 15 2HD1 LEU 15 -3.349 -4.078 5.149 133 HD13 LEU 15 3HD1 LEU 15 -2.370 -2.708 4.560 134 HD21 LEU 15 3HD2 LEU 15 0.238 -5.335 4.891 135 HD22 LEU 15 1HD2 LEU 15 -0.110 -3.611 5.141 136 HD23 LEU 15 2HD2 LEU 15 -0.997 -4.810 6.065 137 H GLU 16 HN GLU 16 -3.704 -6.319 7.161 138 HA GLU 16 HA GLU 16 -6.388 -7.080 6.130 139 HB2 GLU 16 2HB GLU 16 -5.220 -7.021 8.936 140 HB3 GLU 16 3HB GLU 16 -6.916 -7.377 8.538 141 HG2 GLU 16 2HG GLU 16 -6.205 -9.285 7.142 142 HG3 GLU 16 3HG GLU 16 -4.513 -8.952 7.500 143 H VAL 17 HN VAL 17 -7.225 -5.264 5.275 144 HA VAL 17 HA VAL 17 -7.357 -2.840 6.950 145 HB VAL 17 HB VAL 17 -5.519 -2.407 5.548 146 HG11 VAL 17 1HG1 VAL 17 -7.027 -3.363 3.131 147 HG12 VAL 17 2HG1 VAL 17 -5.448 -2.535 3.119 148 HG13 VAL 17 3HG1 VAL 17 -5.626 -4.133 3.872 149 HG21 VAL 17 3HG2 VAL 17 -7.527 -1.051 3.799 150 HG22 VAL 17 1HG2 VAL 17 -7.671 -0.794 5.537 151 HG23 VAL 17 2HG2 VAL 17 -6.177 -0.393 4.778 152 H GLU 18 HN GLU 18 -9.313 -1.442 6.287 153 HA GLU 18 HA GLU 18 -11.362 -3.171 5.156 154 HB2 GLU 18 2HB GLU 18 -13.007 -1.949 6.168 155 HB3 GLU 18 3HB GLU 18 -11.773 -2.183 7.384 156 HG2 GLU 18 2HG GLU 18 -11.960 0.404 5.799 157 HG3 GLU 18 3HG GLU 18 -13.006 0.089 7.170 158 HA PRO 19 HA PRO 19 -11.725 -0.818 1.371 159 HB2 PRO 19 2HB PRO 19 -14.678 -1.165 1.538 160 HB3 PRO 19 3HB PRO 19 -13.539 -1.739 0.295 161 HG2 PRO 19 2HG PRO 19 -14.636 -3.458 2.073 162 HG3 PRO 19 3HG PRO 19 -12.911 -3.615 1.638 163 HD2 PRO 19 2HD PRO 19 -14.069 -2.158 4.047 164 HD3 PRO 19 3HD PRO 19 -12.849 -3.460 3.973 165 H SER 20 HN SER 20 -12.315 0.583 4.113 166 HA SER 20 HA SER 20 -13.531 3.075 3.036 167 HG SER 20 HG SER 20 -15.925 2.360 3.631 168 HB2 SER 20 2HB SER 20 -14.107 1.650 5.664 169 HB3 SER 20 3HB SER 20 -14.725 3.243 5.202 170 H ASP 21 HN ASP 21 -10.771 1.680 4.151 171 HA ASP 21 HA ASP 21 -9.954 3.423 6.193 172 HB2 ASP 21 2HB ASP 21 -9.127 1.002 5.160 173 HB3 ASP 21 3HB ASP 21 -7.890 2.067 4.486 174 H THR 22 HN THR 22 -7.526 4.552 5.611 175 HA THR 22 HA THR 22 -7.956 6.218 3.164 176 HB THR 22 HB THR 22 -6.596 7.935 4.189 177 HG1 THR 22 HG1 THR 22 -6.143 7.632 6.500 178 HG21 THR 22 3HG2 THR 22 -8.148 8.790 5.775 179 HG22 THR 22 1HG2 THR 22 -9.114 7.752 4.707 180 HG23 THR 22 2HG2 THR 22 -8.624 7.173 6.316 181 H ILE 23 HN ILE 23 -5.882 6.937 2.199 182 HA ILE 23 HA ILE 23 -4.096 4.792 1.579 183 HB ILE 23 HB ILE 23 -3.706 7.789 1.356 184 HG12 ILE 23 2HG1 ILE 23 -5.696 7.585 0.193 185 HG13 ILE 23 3HG1 ILE 23 -4.494 7.456 -1.085 186 HG21 ILE 23 1HG2 ILE 23 -1.625 6.597 0.999 187 HG22 ILE 23 2HG2 ILE 23 -2.412 5.570 -0.219 188 HG23 ILE 23 3HG2 ILE 23 -2.199 7.341 -0.482 189 HD11 ILE 23 3HD1 ILE 23 -4.758 4.837 -0.495 190 HD12 ILE 23 1HD1 ILE 23 -6.365 5.394 0.012 191 HD13 ILE 23 2HD1 ILE 23 -5.747 5.662 -1.656 192 H GLU 24 HN GLU 24 -4.074 7.373 3.981 193 HA GLU 24 HA GLU 24 -1.384 7.209 4.887 194 HB2 GLU 24 2HB GLU 24 -3.013 9.067 5.103 195 HB3 GLU 24 3HB GLU 24 -3.980 8.078 6.186 196 HG2 GLU 24 2HG GLU 24 -2.062 8.054 7.808 197 HG3 GLU 24 3HG GLU 24 -1.200 9.150 6.705 198 H ASN 25 HN ASN 25 -4.472 5.773 6.093 199 HA ASN 25 HA ASN 25 -3.254 4.323 8.204 200 HB2 ASN 25 2HB ASN 25 -5.833 4.873 7.379 201 HB3 ASN 25 3HB ASN 25 -5.698 3.184 6.985 202 HD21 ASN 25 1HD2 ASN 25 -5.835 5.590 9.483 203 HD22 ASN 25 2HD2 ASN 25 -6.472 4.433 10.632 204 H VAL 26 HN VAL 26 -4.084 3.392 4.861 205 HA VAL 26 HA VAL 26 -3.293 0.641 5.011 206 HB VAL 26 HB VAL 26 -3.467 2.665 2.772 207 HG11 VAL 26 1HG1 VAL 26 -1.751 1.137 2.088 208 HG12 VAL 26 2HG1 VAL 26 -2.716 -0.268 2.571 209 HG13 VAL 26 3HG1 VAL 26 -3.213 0.747 1.202 210 HG21 VAL 26 3HG2 VAL 26 -5.055 0.122 3.102 211 HG22 VAL 26 1HG2 VAL 26 -5.611 1.688 3.759 212 HG23 VAL 26 2HG2 VAL 26 -5.346 1.463 2.017 213 H LYS 27 HN LYS 27 -1.417 3.640 4.026 214 HA LYS 27 HA LYS 27 0.924 2.089 3.620 215 HB2 LYS 27 2HB LYS 27 2.154 3.989 3.338 216 HB3 LYS 27 3HB LYS 27 0.559 4.420 2.730 217 HG2 LYS 27 2HG LYS 27 0.109 5.661 4.753 218 HG3 LYS 27 3HG LYS 27 1.694 5.257 5.425 219 HD2 LYS 27 2HD LYS 27 1.174 6.853 2.880 220 HD3 LYS 27 3HD LYS 27 1.498 7.534 4.473 221 HE2 LYS 27 2HE LYS 27 3.692 6.209 4.481 222 HE3 LYS 27 3HE LYS 27 3.393 5.890 2.759 223 HZ1 LYS 27 3HZ LYS 27 3.796 8.513 4.072 224 HZ2 LYS 27 1HZ LYS 27 4.708 7.850 2.884 225 HZ3 LYS 27 2HZ LYS 27 3.200 8.376 2.543 226 H ALA 28 HN ALA 28 -0.297 3.714 6.568 227 HA ALA 28 HA ALA 28 1.866 3.242 8.238 228 HB1 ALA 28 1HB ALA 28 -0.211 4.489 8.756 229 HB2 ALA 28 2HB ALA 28 -1.087 2.946 8.899 230 HB3 ALA 28 3HB ALA 28 0.231 3.323 10.008 231 H LYS 29 HN LYS 29 -0.862 1.005 7.545 232 HA LYS 29 HA LYS 29 -0.052 -1.189 9.105 233 HB2 LYS 29 2HB LYS 29 -1.664 -0.885 6.597 234 HB3 LYS 29 3HB LYS 29 -1.012 -2.492 6.906 235 HG2 LYS 29 2HG LYS 29 -2.079 -2.717 8.969 236 HG3 LYS 29 3HG LYS 29 -2.430 -0.990 9.090 237 HD2 LYS 29 2HD LYS 29 -3.603 -2.730 6.893 238 HD3 LYS 29 3HD LYS 29 -4.370 -2.551 8.466 239 HE2 LYS 29 2HE LYS 29 -3.703 -0.194 6.660 240 HE3 LYS 29 3HE LYS 29 -5.294 -0.962 6.763 241 HZ1 LYS 29 3HZ LYS 29 -5.350 0.864 8.124 242 HZ2 LYS 29 1HZ LYS 29 -5.293 -0.413 9.132 243 HZ3 LYS 29 2HZ LYS 29 -3.944 0.503 8.906 244 H ILE 30 HN ILE 30 0.949 -0.492 5.720 245 HA ILE 30 HA ILE 30 2.721 -2.790 5.899 246 HB ILE 30 HB ILE 30 3.708 -1.368 3.793 247 HG12 ILE 30 2HG1 ILE 30 1.680 0.219 3.955 248 HG13 ILE 30 3HG1 ILE 30 2.261 -0.380 2.419 249 HG21 ILE 30 1HG2 ILE 30 3.264 -3.734 4.021 250 HG22 ILE 30 2HG2 ILE 30 1.540 -3.467 3.733 251 HG23 ILE 30 3HG2 ILE 30 2.758 -3.052 2.496 252 HD11 ILE 30 3HD1 ILE 30 -0.090 -1.618 3.897 253 HD12 ILE 30 1HD1 ILE 30 -0.231 -0.417 2.615 254 HD13 ILE 30 2HD1 ILE 30 0.458 -1.985 2.243 255 H GLN 31 HN GLN 31 3.235 0.700 6.300 256 HA GLN 31 HA GLN 31 5.986 0.848 6.318 257 HB2 GLN 31 2HB GLN 31 4.402 2.681 6.372 258 HB3 GLN 31 3HB GLN 31 3.838 2.246 7.973 259 HG2 GLN 31 2HG GLN 31 6.615 3.264 7.380 260 HG3 GLN 31 3HG GLN 31 5.237 4.280 7.716 261 HE21 GLN 31 1HE2 GLN 31 7.362 1.871 9.193 262 HE22 GLN 31 2HE2 GLN 31 7.091 2.387 10.845 263 H ASP 32 HN ASP 32 3.807 0.233 9.077 264 HA ASP 32 HA ASP 32 5.921 -0.358 10.911 265 HB2 ASP 32 2HB ASP 32 3.715 0.612 11.503 266 HB3 ASP 32 3HB ASP 32 2.939 -0.932 11.122 267 H LYS 33 HN LYS 33 3.576 -2.508 9.149 268 HA LYS 33 HA LYS 33 4.431 -4.939 10.402 269 HB2 LYS 33 2HB LYS 33 3.178 -4.459 7.686 270 HB3 LYS 33 3HB LYS 33 3.525 -6.061 8.325 271 HG2 LYS 33 2HG LYS 33 1.977 -5.822 10.149 272 HG3 LYS 33 3HG LYS 33 1.801 -4.095 9.862 273 HD2 LYS 33 2HD LYS 33 -0.148 -4.923 8.904 274 HD3 LYS 33 3HD LYS 33 0.910 -4.718 7.522 275 HE2 LYS 33 2HE LYS 33 0.060 -6.822 7.088 276 HE3 LYS 33 3HE LYS 33 1.545 -7.251 7.951 277 HZ1 LYS 33 3HZ LYS 33 0.205 -7.476 9.963 278 HZ2 LYS 33 1HZ LYS 33 -1.164 -7.064 9.149 279 HZ3 LYS 33 2HZ LYS 33 -0.351 -8.470 8.807 280 H GLU 34 HN GLU 34 5.380 -3.482 7.276 281 HA GLU 34 HA GLU 34 7.170 -5.608 6.590 282 HB2 GLU 34 2HB GLU 34 5.672 -3.972 5.198 283 HB3 GLU 34 3HB GLU 34 7.053 -2.882 5.245 284 HG2 GLU 34 2HG GLU 34 7.136 -5.728 4.200 285 HG3 GLU 34 3HG GLU 34 6.583 -4.387 3.220 286 H GLY 35 HN GLY 35 7.520 -3.059 8.780 287 HA2 GLY 35 1HA GLY 35 9.279 -2.557 10.128 288 HA3 GLY 35 2HA GLY 35 10.236 -3.801 9.305 289 H ILE 36 HN ILE 36 8.684 -0.741 8.184 290 HA ILE 36 HA ILE 36 11.301 0.285 7.307 291 HB ILE 36 HB ILE 36 10.502 -0.873 5.417 292 HG12 ILE 36 2HG1 ILE 36 9.896 2.102 5.117 293 HG13 ILE 36 3HG1 ILE 36 11.479 1.327 5.000 294 HG21 ILE 36 1HG2 ILE 36 8.397 -0.829 4.430 295 HG22 ILE 36 2HG2 ILE 36 8.030 -1.000 6.125 296 HG23 ILE 36 3HG2 ILE 36 7.871 0.594 5.369 297 HD11 ILE 36 3HD1 ILE 36 9.116 1.004 3.109 298 HD12 ILE 36 1HD1 ILE 36 10.660 1.800 2.788 299 HD13 ILE 36 2HD1 ILE 36 10.611 0.038 3.013 300 HA PRO 37 HA PRO 37 9.283 3.683 9.415 301 HB2 PRO 37 2HB PRO 37 11.037 5.735 8.811 302 HB3 PRO 37 3HB PRO 37 11.334 4.488 10.066 303 HG2 PRO 37 2HG PRO 37 12.318 4.551 7.197 304 HG3 PRO 37 3HG PRO 37 13.265 4.207 8.685 305 HD2 PRO 37 2HD PRO 37 12.311 2.214 7.120 306 HD3 PRO 37 3HD PRO 37 12.290 2.061 8.906 307 HA PRO 38 HA PRO 38 6.946 5.536 6.177 308 HB2 PRO 38 2HB PRO 38 6.261 8.054 7.164 309 HB3 PRO 38 3HB PRO 38 5.485 6.515 7.612 310 HG2 PRO 38 2HG PRO 38 7.517 8.104 9.120 311 HG3 PRO 38 3HG PRO 38 6.188 7.097 9.750 312 HD2 PRO 38 2HD PRO 38 8.864 6.331 9.656 313 HD3 PRO 38 3HD PRO 38 7.501 5.191 9.717 314 H ASP 39 HN ASP 39 9.990 6.762 6.931 315 HA ASP 39 HA ASP 39 10.130 9.101 5.437 316 HB2 ASP 39 2HB ASP 39 11.787 7.831 7.196 317 HB3 ASP 39 3HB ASP 39 12.637 7.488 5.701 318 H GLN 40 HN GLN 40 9.655 6.102 4.132 319 HA GLN 40 HA GLN 40 10.235 7.194 1.503 320 HB2 GLN 40 2HB GLN 40 11.634 4.705 2.482 321 HB3 GLN 40 3HB GLN 40 10.966 4.659 0.854 322 HG2 GLN 40 2HG GLN 40 12.710 5.697 0.045 323 HG3 GLN 40 3HG GLN 40 12.276 7.151 0.914 324 HE21 GLN 40 1HE2 GLN 40 13.119 7.364 3.155 325 HE22 GLN 40 2HE2 GLN 40 14.681 6.686 3.558 326 H GLN 41 HN GLN 41 9.405 3.876 2.011 327 HA GLN 41 HA GLN 41 7.795 2.816 0.791 328 HB2 GLN 41 2HB GLN 41 7.505 2.627 3.292 329 HB3 GLN 41 3HB GLN 41 6.121 3.729 3.146 330 HG2 GLN 41 2HG GLN 41 5.051 2.242 1.526 331 HG3 GLN 41 3HG GLN 41 6.495 1.211 1.438 332 HE21 GLN 41 1HE2 GLN 41 6.778 -0.456 2.930 333 HE22 GLN 41 2HE2 GLN 41 5.684 -0.707 4.276 334 H ARG 42 HN ARG 42 7.316 3.634 -1.199 335 HA ARG 42 HA ARG 42 5.315 5.737 -1.461 336 HE ARG 42 HE ARG 42 5.173 8.382 -5.160 337 HB2 ARG 42 2HB ARG 42 7.327 5.104 -3.092 338 HB3 ARG 42 3HB ARG 42 6.152 3.965 -3.741 339 HG2 ARG 42 2HG ARG 42 5.999 5.931 -5.080 340 HG3 ARG 42 3HG ARG 42 4.557 5.978 -4.031 341 HD2 ARG 42 2HD ARG 42 5.721 7.515 -2.502 342 HD3 ARG 42 3HD ARG 42 7.213 7.361 -3.456 343 HH11 ARG 42 2HH2 ARG 42 6.994 9.283 -2.271 344 HH12 ARG 42 1HH2 ARG 42 6.737 10.987 -2.456 345 HH21 ARG 42 2HH1 ARG 42 4.989 10.542 -5.534 346 HH22 ARG 42 1HH1 ARG 42 5.693 11.761 -4.481 347 H LEU 43 HN LEU 43 3.245 5.229 -0.995 348 HA LEU 43 HA LEU 43 2.178 2.524 -1.506 349 HG LEU 43 HG LEU 43 -0.382 3.384 1.069 350 HB2 LEU 43 2HB LEU 43 1.568 4.532 0.335 351 HB3 LEU 43 3HB LEU 43 0.317 4.764 -0.802 352 HD11 LEU 43 1HD1 LEU 43 -0.188 1.752 -1.441 353 HD12 LEU 43 2HD1 LEU 43 -1.222 1.362 -0.075 354 HD13 LEU 43 3HD1 LEU 43 -1.513 2.842 -0.985 355 HD21 LEU 43 3HD2 LEU 43 1.755 1.376 0.232 356 HD22 LEU 43 1HD2 LEU 43 1.929 2.498 1.568 357 HD23 LEU 43 2HD2 LEU 43 0.651 1.276 1.597 358 H ILE 44 HN ILE 44 0.207 2.357 -2.941 359 HA ILE 44 HA ILE 44 -0.353 4.300 -4.902 360 HB ILE 44 HB ILE 44 1.844 3.451 -5.685 361 HG12 ILE 44 2HG1 ILE 44 1.351 3.090 -7.972 362 HG13 ILE 44 3HG1 ILE 44 -0.327 2.675 -7.635 363 HG21 ILE 44 1HG2 ILE 44 0.527 0.771 -6.176 364 HG22 ILE 44 2HG2 ILE 44 2.201 1.280 -6.471 365 HG23 ILE 44 3HG2 ILE 44 1.652 1.132 -4.828 366 HD11 ILE 44 3HD1 ILE 44 0.858 5.385 -6.893 367 HD12 ILE 44 1HD1 ILE 44 0.172 5.058 -8.484 368 HD13 ILE 44 2HD1 ILE 44 -0.861 4.940 -7.057 369 H PHE 45 HN PHE 45 -1.954 2.901 -6.541 370 HA PHE 45 HA PHE 45 -2.760 0.418 -5.276 371 HD1 PHE 45 HD1 PHE 45 -4.370 -0.744 -4.164 372 HD2 PHE 45 HD2 PHE 45 -5.546 3.370 -3.655 373 HE1 PHE 45 HE1 PHE 45 -4.539 -1.109 -1.734 374 HE2 PHE 45 HE2 PHE 45 -5.823 2.960 -1.227 375 HZ PHE 45 HZ PHE 45 -5.250 0.744 -0.256 376 HB2 PHE 45 2HB PHE 45 -4.792 2.598 -5.836 377 HB3 PHE 45 3HB PHE 45 -5.221 0.911 -6.108 378 H ALA 46 HN ALA 46 -4.630 1.480 -7.966 379 HA ALA 46 HA ALA 46 -3.247 -0.415 -9.626 380 HB1 ALA 46 1HB ALA 46 -5.709 -0.129 -9.499 381 HB2 ALA 46 2HB ALA 46 -5.559 1.488 -10.219 382 HB3 ALA 46 3HB ALA 46 -5.091 0.048 -11.147 383 H GLY 47 HN GLY 47 -1.306 1.396 -9.148 384 HA2 GLY 47 1HA GLY 47 0.196 2.931 -10.054 385 HA3 GLY 47 2HA GLY 47 -0.549 2.607 -11.613 386 H LYS 48 HN LYS 48 -3.075 3.673 -9.811 387 HA LYS 48 HA LYS 48 -3.237 5.965 -11.420 388 HB2 LYS 48 2HB LYS 48 -5.526 6.159 -10.401 389 HB3 LYS 48 3HB LYS 48 -5.113 4.619 -11.104 390 HG2 LYS 48 2HG LYS 48 -6.362 4.197 -9.126 391 HG3 LYS 48 3HG LYS 48 -4.745 3.612 -8.903 392 HD2 LYS 48 2HD LYS 48 -5.537 4.559 -6.854 393 HD3 LYS 48 3HD LYS 48 -4.199 5.516 -7.441 394 HE2 LYS 48 2HE LYS 48 -6.026 6.879 -6.439 395 HE3 LYS 48 3HE LYS 48 -5.746 7.319 -8.116 396 HZ1 LYS 48 3HZ LYS 48 -8.101 7.084 -7.520 397 HZ2 LYS 48 1HZ LYS 48 -7.643 6.169 -8.805 398 HZ3 LYS 48 2HZ LYS 48 -7.893 5.462 -7.369 399 H GLN 49 HN GLN 49 -1.088 6.608 -9.693 400 HA GLN 49 HA GLN 49 -0.202 8.269 -8.475 401 HB2 GLN 49 2HB GLN 49 -1.303 9.353 -10.421 402 HB3 GLN 49 3HB GLN 49 -2.631 9.847 -9.355 403 HG2 GLN 49 2HG GLN 49 -1.159 11.242 -8.053 404 HG3 GLN 49 3HG GLN 49 0.269 10.607 -8.897 405 HE21 GLN 49 1HE2 GLN 49 0.230 13.171 -9.016 406 HE22 GLN 49 2HE2 GLN 49 -0.256 13.806 -10.589 407 H LEU 50 HN LEU 50 -3.492 7.624 -7.402 408 HA LEU 50 HA LEU 50 -4.038 6.738 -5.428 409 HG LEU 50 HG LEU 50 -2.906 6.970 -2.612 410 HB2 LEU 50 2HB LEU 50 -1.717 5.975 -5.247 411 HB3 LEU 50 3HB LEU 50 -1.281 7.491 -4.440 412 HD11 LEU 50 1HD1 LEU 50 -3.594 4.523 -2.463 413 HD12 LEU 50 2HD1 LEU 50 -4.477 5.485 -3.650 414 HD13 LEU 50 3HD1 LEU 50 -3.196 4.372 -4.178 415 HD21 LEU 50 3HD2 LEU 50 -1.357 4.760 -2.120 416 HD22 LEU 50 1HD2 LEU 50 -0.416 5.635 -3.348 417 HD23 LEU 50 2HD2 LEU 50 -0.838 6.458 -1.904 418 H GLU 51 HN GLU 51 -2.348 9.800 -4.919 419 HA GLU 51 HA GLU 51 -2.829 11.625 -3.618 420 HB2 GLU 51 2HB GLU 51 -5.505 11.158 -4.932 421 HB3 GLU 51 3HB GLU 51 -4.971 12.684 -4.244 422 HG2 GLU 51 2HG GLU 51 -3.449 11.347 -6.516 423 HG3 GLU 51 3HG GLU 51 -4.887 12.306 -6.782 424 H ASP 52 HN ASP 52 -2.597 10.755 -1.562 425 HA ASP 52 HA ASP 52 -4.361 9.383 0.006 426 HB2 ASP 52 2HB ASP 52 -2.789 9.694 1.743 427 HB3 ASP 52 3HB ASP 52 -1.869 9.654 0.246 428 H GLY 53 HN GLY 53 -5.660 11.839 -0.972 429 HA2 GLY 53 1HA GLY 53 -7.098 12.431 1.581 430 HA3 GLY 53 2HA GLY 53 -6.990 13.594 0.251 431 H ARG 54 HN ARG 54 -7.631 9.969 0.079 432 HA ARG 54 HA ARG 54 -10.393 10.667 -0.281 433 HE ARG 54 HE ARG 54 -13.460 10.400 -4.251 434 HB2 ARG 54 2HB ARG 54 -8.854 10.293 -2.664 435 HB3 ARG 54 3HB ARG 54 -9.800 8.824 -2.480 436 HG2 ARG 54 2HG ARG 54 -11.050 11.590 -2.340 437 HG3 ARG 54 3HG ARG 54 -10.745 10.751 -3.868 438 HD2 ARG 54 2HD ARG 54 -12.097 8.837 -3.160 439 HD3 ARG 54 3HD ARG 54 -12.417 9.611 -1.596 440 HH11 ARG 54 2HH2 ARG 54 -13.508 11.037 -0.691 441 HH12 ARG 54 1HH2 ARG 54 -14.584 12.346 -0.881 442 HH21 ARG 54 2HH1 ARG 54 -15.059 11.887 -4.362 443 HH22 ARG 54 1HH1 ARG 54 -15.722 12.681 -2.956 444 H THR 55 HN THR 55 -11.712 8.661 -0.365 445 HA THR 55 HA THR 55 -10.840 6.937 1.756 446 HB THR 55 HB THR 55 -13.250 6.296 0.110 447 HG1 THR 55 HG1 THR 55 -13.122 8.769 1.482 448 HG21 THR 55 3HG2 THR 55 -14.378 6.103 2.231 449 HG22 THR 55 1HG2 THR 55 -12.835 5.219 2.284 450 HG23 THR 55 2HG2 THR 55 -12.983 6.792 3.066 451 H LEU 56 HN LEU 56 -10.372 4.780 1.637 452 HA LEU 56 HA LEU 56 -9.864 3.125 -0.584 453 HG LEU 56 HG LEU 56 -8.942 1.544 2.603 454 HB2 LEU 56 2HB LEU 56 -10.866 2.764 2.175 455 HB3 LEU 56 3HB LEU 56 -11.006 1.428 1.069 456 HD11 LEU 56 1HD1 LEU 56 -8.886 0.965 -0.352 457 HD12 LEU 56 2HD1 LEU 56 -7.675 0.360 0.823 458 HD13 LEU 56 3HD1 LEU 56 -9.372 -0.145 0.952 459 HD21 LEU 56 3HD2 LEU 56 -7.654 3.047 0.298 460 HD22 LEU 56 1HD2 LEU 56 -8.265 3.935 1.706 461 HD23 LEU 56 2HD2 LEU 56 -7.047 2.725 1.924 462 H SER 57 HN SER 57 -13.063 4.182 0.627 463 HA SER 57 HA SER 57 -14.602 2.327 -0.701 464 HG SER 57 HG SER 57 -17.011 3.136 -0.296 465 HB2 SER 57 2HB SER 57 -15.403 4.106 0.851 466 HB3 SER 57 3HB SER 57 -15.208 5.303 -0.436 467 H ASP 58 HN ASP 58 -12.678 4.869 -2.233 468 HA ASP 58 HA ASP 58 -14.110 4.452 -4.807 469 HB2 ASP 58 2HB ASP 58 -13.620 6.792 -4.179 470 HB3 ASP 58 3HB ASP 58 -11.887 6.420 -4.215 471 H TYR 59 HN TYR 59 -10.832 4.124 -3.346 472 HA TYR 59 HA TYR 59 -9.688 3.034 -5.723 473 HD1 TYR 59 HD1 TYR 59 -8.061 4.882 -5.639 474 HD2 TYR 59 HD2 TYR 59 -8.497 4.219 -1.430 475 HE1 TYR 59 HE1 TYR 59 -7.480 7.313 -5.154 476 HE2 TYR 59 HE2 TYR 59 -8.106 6.574 -0.987 477 HH TYR 59 HH TYR 59 -6.418 8.526 -3.130 478 HB2 TYR 59 2HB TYR 59 -8.755 2.429 -2.889 479 HB3 TYR 59 3HB TYR 59 -7.808 2.469 -4.369 480 H ASN 60 HN ASN 60 -10.662 1.517 -2.740 481 HA ASN 60 HA ASN 60 -11.657 -0.215 -2.009 482 HB2 ASN 60 2HB ASN 60 -13.150 0.882 -3.879 483 HB3 ASN 60 3HB ASN 60 -12.964 -0.681 -4.657 484 HD21 ASN 60 1HD2 ASN 60 -15.132 0.964 -3.005 485 HD22 ASN 60 2HD2 ASN 60 -15.923 -0.346 -2.146 486 H ILE 61 HN ILE 61 -10.362 -1.095 -5.138 487 HA ILE 61 HA ILE 61 -9.275 -2.966 -5.822 488 HB ILE 61 HB ILE 61 -7.258 -3.133 -4.582 489 HG12 ILE 61 2HG1 ILE 61 -8.033 -2.674 -2.205 490 HG13 ILE 61 3HG1 ILE 61 -6.534 -2.023 -2.760 491 HG21 ILE 61 1HG2 ILE 61 -8.130 -0.312 -5.180 492 HG22 ILE 61 2HG2 ILE 61 -6.463 -0.928 -5.131 493 HG23 ILE 61 3HG2 ILE 61 -7.579 -1.530 -6.331 494 HD11 ILE 61 3HD1 ILE 61 -9.059 -0.536 -2.094 495 HD12 ILE 61 1HD1 ILE 61 -7.452 -0.366 -1.473 496 HD13 ILE 61 2HD1 ILE 61 -7.782 0.236 -3.087 497 H GLN 62 HN GLN 62 -10.570 -4.732 -5.872 498 HA GLN 62 HA GLN 62 -10.565 -6.468 -3.453 499 HB2 GLN 62 2HB GLN 62 -12.309 -6.367 -5.909 500 HB3 GLN 62 3HB GLN 62 -12.316 -7.712 -4.750 501 HG2 GLN 62 2HG GLN 62 -13.688 -6.554 -3.428 502 HG3 GLN 62 3HG GLN 62 -12.428 -5.375 -3.128 503 HE21 GLN 62 1HE2 GLN 62 -12.337 -3.452 -4.698 504 HE22 GLN 62 2HE2 GLN 62 -13.845 -2.948 -5.441 505 H LYS 63 HN LYS 63 -8.568 -7.219 -3.461 506 HA LYS 63 HA LYS 63 -7.006 -8.805 -3.681 507 HB2 LYS 63 2HB LYS 63 -9.112 -10.094 -3.927 508 HB3 LYS 63 3HB LYS 63 -8.912 -10.081 -5.676 509 HG2 LYS 63 2HG LYS 63 -6.810 -11.350 -5.457 510 HG3 LYS 63 3HG LYS 63 -6.991 -11.365 -3.690 511 HD2 LYS 63 2HD LYS 63 -9.049 -12.480 -5.657 512 HD3 LYS 63 3HD LYS 63 -7.805 -13.457 -4.875 513 HE2 LYS 63 2HE LYS 63 -8.719 -13.060 -2.676 514 HE3 LYS 63 3HE LYS 63 -9.814 -11.811 -3.269 515 HZ1 LYS 63 3HZ LYS 63 -10.883 -13.964 -2.879 516 HZ2 LYS 63 1HZ LYS 63 -11.088 -13.435 -4.424 517 HZ3 LYS 63 2HZ LYS 63 -10.013 -14.635 -4.067 518 H GLU 64 HN GLU 64 -8.107 -7.752 -6.955 519 HA GLU 64 HA GLU 64 -5.680 -7.928 -8.414 520 HB2 GLU 64 2HB GLU 64 -7.620 -5.602 -8.039 521 HB3 GLU 64 3HB GLU 64 -6.279 -5.598 -9.202 522 HG2 GLU 64 2HG GLU 64 -7.249 -7.623 -10.297 523 HG3 GLU 64 3HG GLU 64 -8.671 -7.474 -9.252 524 H SER 65 HN SER 65 -6.699 -5.971 -5.812 525 HA SER 65 HA SER 65 -5.643 -3.803 -5.415 526 HG SER 65 HG SER 65 -5.448 -6.973 -4.123 527 HB2 SER 65 2HB SER 65 -5.499 -4.392 -2.927 528 HB3 SER 65 3HB SER 65 -6.914 -5.067 -3.746 529 H THR 66 HN THR 66 -3.503 -6.016 -3.742 530 HA THR 66 HA THR 66 -1.183 -5.949 -3.522 531 HB THR 66 HB THR 66 -1.926 -6.629 -6.364 532 HG1 THR 66 HG1 THR 66 -2.765 -8.428 -5.565 533 HG21 THR 66 3HG2 THR 66 -0.377 -8.562 -6.007 534 HG22 THR 66 1HG2 THR 66 0.407 -6.982 -6.073 535 HG23 THR 66 2HG2 THR 66 0.173 -7.776 -4.504 536 H LEU 67 HN LEU 67 -1.291 -3.453 -3.326 537 HA LEU 67 HA LEU 67 -0.281 -1.977 -5.556 538 HG LEU 67 HG LEU 67 -0.751 -0.251 -1.724 539 HB2 LEU 67 2HB LEU 67 -0.041 -0.164 -4.102 540 HB3 LEU 67 3HB LEU 67 -1.538 -0.971 -3.742 541 HD11 LEU 67 1HD1 LEU 67 -1.539 -2.514 -1.588 542 HD12 LEU 67 2HD1 LEU 67 0.129 -3.123 -1.765 543 HD13 LEU 67 3HD1 LEU 67 -0.331 -2.158 -0.346 544 HD21 LEU 67 3HD2 LEU 67 1.568 0.328 -2.331 545 HD22 LEU 67 1HD2 LEU 67 1.474 -0.566 -0.792 546 HD23 LEU 67 2HD2 LEU 67 2.016 -1.381 -2.249 547 H HIS 68 HN HIS 68 1.791 -1.238 -5.954 548 HA HIS 68 HA HIS 68 3.904 -3.123 -5.131 549 HD1 HIS 68 HD1 HIS 68 4.415 0.534 -7.729 550 HD2 HIS 68 HD2 HIS 68 1.509 -2.367 -8.685 551 HE1 HIS 68 HE1 HIS 68 2.767 1.656 -9.317 552 HB2 HIS 68 2HB HIS 68 5.026 -2.113 -7.203 553 HB3 HIS 68 3HB HIS 68 3.691 -3.233 -7.428 554 H LEU 69 HN LEU 69 5.116 -2.402 -3.511 555 HA LEU 69 HA LEU 69 5.183 0.394 -2.724 556 HG LEU 69 HG LEU 69 5.880 -1.424 0.448 557 HB2 LEU 69 2HB LEU 69 6.871 -1.975 -1.799 558 HB3 LEU 69 3HB LEU 69 7.061 -0.343 -1.213 559 HD11 LEU 69 1HD1 LEU 69 3.823 -0.202 0.642 560 HD12 LEU 69 2HD1 LEU 69 4.978 0.823 -0.241 561 HD13 LEU 69 3HD1 LEU 69 3.716 0.007 -1.121 562 HD21 LEU 69 3HD2 LEU 69 5.211 -3.393 -0.863 563 HD22 LEU 69 1HD2 LEU 69 3.935 -2.782 0.200 564 HD23 LEU 69 2HD2 LEU 69 3.853 -2.482 -1.549 565 H VAL 70 HN VAL 70 6.080 1.768 -4.086 566 HA VAL 70 HA VAL 70 8.495 1.040 -5.600 567 HB VAL 70 HB VAL 70 7.215 3.785 -5.603 568 HG11 VAL 70 1HG1 VAL 70 9.439 3.407 -6.695 569 HG12 VAL 70 2HG1 VAL 70 8.653 2.186 -7.735 570 HG13 VAL 70 3HG1 VAL 70 8.158 3.893 -7.818 571 HG21 VAL 70 3HG2 VAL 70 5.338 2.316 -6.080 572 HG22 VAL 70 1HG2 VAL 70 5.902 3.004 -7.593 573 HG23 VAL 70 2HG2 VAL 70 6.336 1.328 -7.182 574 H LEU 71 HN LEU 71 9.337 0.550 -3.305 575 HA LEU 71 HA LEU 71 10.556 2.859 -1.947 576 HG LEU 71 HG LEU 71 12.570 -0.295 -1.893 577 HB2 LEU 71 2HB LEU 71 11.491 1.392 -0.443 578 HB3 LEU 71 3HB LEU 71 9.914 0.708 -0.752 579 HD11 LEU 71 1HD1 LEU 71 12.254 -2.168 -0.325 580 HD12 LEU 71 2HD1 LEU 71 12.311 -0.636 0.542 581 HD13 LEU 71 3HD1 LEU 71 10.757 -1.445 0.272 582 HD21 LEU 71 3HD2 LEU 71 10.779 -0.909 -3.453 583 HD22 LEU 71 1HD2 LEU 71 11.277 -2.327 -2.540 584 HD23 LEU 71 2HD2 LEU 71 9.774 -1.500 -2.112 585 H ARG 72 HN ARG 72 12.980 3.033 -1.851 586 HA ARG 72 HA ARG 72 14.525 1.832 -3.975 587 HE ARG 72 HE ARG 72 17.808 4.948 -6.804 588 HB2 ARG 72 2HB ARG 72 13.377 3.767 -5.189 589 HB3 ARG 72 3HB ARG 72 14.176 4.866 -4.069 590 HG2 ARG 72 2HG ARG 72 16.370 3.534 -4.850 591 HG3 ARG 72 3HG ARG 72 15.359 3.091 -6.220 592 HD2 ARG 72 2HD ARG 72 14.918 5.636 -6.475 593 HD3 ARG 72 3HD ARG 72 16.207 5.863 -5.298 594 HH11 ARG 72 2HH2 ARG 72 14.641 5.041 -8.319 595 HH12 ARG 72 1HH2 ARG 72 15.216 5.277 -9.931 596 HH21 ARG 72 2HH1 ARG 72 18.611 4.890 -8.968 597 HH22 ARG 72 1HH1 ARG 72 17.547 5.120 -10.304 598 H LEU 73 HN LEU 73 15.515 1.064 -1.994 599 HA LEU 73 HA LEU 73 16.470 3.096 -0.110 600 HG LEU 73 HG LEU 73 18.537 1.225 1.340 601 HB2 LEU 73 2HB LEU 73 15.586 0.889 0.646 602 HB3 LEU 73 3HB LEU 73 16.935 0.085 -0.151 603 HD11 LEU 73 1HD1 LEU 73 16.082 2.510 2.633 604 HD12 LEU 73 2HD1 LEU 73 17.715 2.517 3.321 605 HD13 LEU 73 3HD1 LEU 73 17.397 3.356 1.817 606 HD21 LEU 73 3HD2 LEU 73 17.869 0.101 3.451 607 HD22 LEU 73 1HD2 LEU 73 16.218 -0.047 2.865 608 HD23 LEU 73 2HD2 LEU 73 17.512 -0.930 2.043 609 H ARG 74 HN ARG 74 18.094 4.266 -0.881 610 HA ARG 74 HA ARG 74 20.120 4.938 -1.605 611 HE ARG 74 HE ARG 74 23.201 2.723 2.291 612 HB2 ARG 74 2HB ARG 74 20.887 2.004 -1.660 613 HB3 ARG 74 3HB ARG 74 21.940 3.277 -2.223 614 HG2 ARG 74 2HG ARG 74 22.134 4.290 -0.118 615 HG3 ARG 74 3HG ARG 74 20.754 3.413 0.567 616 HD2 ARG 74 2HD ARG 74 21.898 1.453 0.823 617 HD3 ARG 74 3HD ARG 74 23.017 1.760 -0.504 618 HH11 ARG 74 2HH2 ARG 74 24.725 2.581 -0.925 619 HH12 ARG 74 1HH2 ARG 74 26.293 2.953 -0.286 620 HH21 ARG 74 2HH1 ARG 74 25.082 3.446 3.013 621 HH22 ARG 74 1HH1 ARG 74 26.421 3.848 1.963 622 H GLY 75 HN GLY 75 21.379 5.072 -3.574 623 HA2 GLY 75 1HA GLY 75 20.218 3.870 -5.995 624 HA3 GLY 75 2HA GLY 75 20.260 5.644 -5.913 625 H GLY 76 HN GLY 76 22.253 6.684 -6.119 626 HA2 GLY 76 1HA GLY 76 24.790 5.137 -6.290 627 HA3 GLY 76 2HA GLY 76 24.545 6.837 -6.735 Start of MODEL 17 1 HA MET 1 HA MET 1 -11.213 -7.705 1.949 2 H1 MET 1 HN MET 1 -10.055 -6.063 4.100 3 HB2 MET 1 2HB MET 1 -10.199 -6.244 0.283 4 HB3 MET 1 3HB MET 1 -11.438 -5.452 1.239 5 HG2 MET 1 2HG MET 1 -9.755 -4.278 2.518 6 HG3 MET 1 3HG MET 1 -8.453 -5.189 1.758 7 HE1 MET 1 3HE MET 1 -8.526 -2.033 2.156 8 HE2 MET 1 1HE MET 1 -7.213 -3.053 1.515 9 HE3 MET 1 2HE MET 1 -7.755 -1.642 0.606 10 H GLN 2 HN GLN 2 -8.066 -6.732 3.443 11 HA GLN 2 HA GLN 2 -6.140 -7.779 3.530 12 HB2 GLN 2 2HB GLN 2 -7.454 -10.347 2.604 13 HB3 GLN 2 3HB GLN 2 -5.927 -10.205 3.441 14 HG2 GLN 2 2HG GLN 2 -6.991 -9.763 5.520 15 HG3 GLN 2 3HG GLN 2 -8.516 -9.320 4.754 16 HE21 GLN 2 1HE2 GLN 2 -10.034 -10.847 5.154 17 HE22 GLN 2 2HE2 GLN 2 -9.713 -12.599 5.193 18 H ILE 3 HN ILE 3 -5.582 -6.356 1.713 19 HA ILE 3 HA ILE 3 -5.368 -7.593 -0.940 20 HB ILE 3 HB ILE 3 -4.380 -5.424 -1.619 21 HG12 ILE 3 2HG1 ILE 3 -4.780 -3.518 0.178 22 HG13 ILE 3 3HG1 ILE 3 -4.540 -4.832 1.325 23 HG21 ILE 3 1HG2 ILE 3 -6.805 -5.774 -1.669 24 HG22 ILE 3 2HG2 ILE 3 -6.959 -5.298 0.019 25 HG23 ILE 3 3HG2 ILE 3 -6.500 -4.103 -1.158 26 HD11 ILE 3 3HD1 ILE 3 -2.544 -3.439 0.927 27 HD12 ILE 3 1HD1 ILE 3 -2.269 -5.149 0.599 28 HD13 ILE 3 2HD1 ILE 3 -2.526 -4.013 -0.754 29 H PHE 4 HN PHE 4 -3.279 -7.676 -2.065 30 HA PHE 4 HA PHE 4 -1.124 -8.707 -0.319 31 HD1 PHE 4 HD2 PHE 4 -2.414 -10.472 -0.284 32 HD2 PHE 4 HD1 PHE 4 -2.373 -10.317 -4.616 33 HE1 PHE 4 HE2 PHE 4 -4.267 -12.060 -0.362 34 HE2 PHE 4 HE1 PHE 4 -4.147 -12.035 -4.672 35 HZ PHE 4 HZ PHE 4 -5.078 -12.924 -2.528 36 HB2 PHE 4 2HB PHE 4 -1.273 -8.605 -3.350 37 HB3 PHE 4 3HB PHE 4 -0.240 -9.628 -2.352 38 H VAL 5 HN VAL 5 1.198 -8.057 -1.197 39 HA VAL 5 HA VAL 5 1.292 -5.271 -2.076 40 HB VAL 5 HB VAL 5 1.206 -6.016 0.712 41 HG11 VAL 5 1HG1 VAL 5 3.782 -4.579 0.081 42 HG12 VAL 5 2HG1 VAL 5 3.095 -4.975 1.670 43 HG13 VAL 5 3HG1 VAL 5 3.657 -6.252 0.633 44 HG21 VAL 5 3HG2 VAL 5 1.134 -3.568 1.018 45 HG22 VAL 5 1HG2 VAL 5 1.559 -3.354 -0.692 46 HG23 VAL 5 2HG2 VAL 5 0.028 -4.116 -0.248 47 H LYS 6 HN LYS 6 2.795 -5.258 -3.589 48 HA LYS 6 HA LYS 6 4.795 -7.435 -3.759 49 HB2 LYS 6 2HB LYS 6 4.307 -5.059 -5.589 50 HB3 LYS 6 3HB LYS 6 5.421 -6.387 -5.891 51 HG2 LYS 6 2HG LYS 6 3.540 -7.981 -6.030 52 HG3 LYS 6 3HG LYS 6 2.409 -6.694 -5.590 53 HD2 LYS 6 2HD LYS 6 2.197 -6.688 -7.922 54 HD3 LYS 6 3HD LYS 6 3.421 -5.449 -7.690 55 HE2 LYS 6 2HE LYS 6 4.521 -6.682 -9.268 56 HE3 LYS 6 3HE LYS 6 5.088 -7.545 -7.831 57 HZ1 LYS 6 3HZ LYS 6 4.332 -9.201 -9.262 58 HZ2 LYS 6 1HZ LYS 6 2.956 -8.975 -8.326 59 HZ3 LYS 6 2HZ LYS 6 3.085 -8.310 -9.800 60 H THR 7 HN THR 7 6.423 -7.138 -2.268 61 HA THR 7 HA THR 7 8.344 -5.160 -2.894 62 HB THR 7 HB THR 7 6.873 -3.721 -1.506 63 HG1 THR 7 HG1 THR 7 9.286 -4.467 -0.334 64 HG21 THR 7 3HG2 THR 7 7.424 -5.496 0.883 65 HG22 THR 7 1HG2 THR 7 6.449 -4.020 0.816 66 HG23 THR 7 2HG2 THR 7 5.905 -5.485 -0.018 67 H LEU 8 HN LEU 8 8.214 -8.129 -2.747 68 HA LEU 8 HA LEU 8 10.551 -8.706 -1.324 69 HG LEU 8 HG LEU 8 10.692 -10.610 0.593 70 HB2 LEU 8 2HB LEU 8 8.484 -8.514 0.517 71 HB3 LEU 8 3HB LEU 8 8.259 -10.163 -0.008 72 HD11 LEU 8 1HD1 LEU 8 11.601 -8.294 0.488 73 HD12 LEU 8 2HD1 LEU 8 10.539 -7.811 1.817 74 HD13 LEU 8 3HD1 LEU 8 11.838 -8.993 2.089 75 HD21 LEU 8 3HD2 LEU 8 8.899 -9.512 2.804 76 HD22 LEU 8 1HD2 LEU 8 8.853 -11.161 2.131 77 HD23 LEU 8 2HD2 LEU 8 10.274 -10.611 3.031 78 H THR 9 HN THR 9 10.338 -11.425 -0.986 79 HA THR 9 HA THR 9 9.122 -12.508 -3.443 80 HB THR 9 HB THR 9 11.519 -12.124 -3.824 81 HG1 THR 9 HG1 THR 9 11.985 -14.194 -4.473 82 HG21 THR 9 3HG2 THR 9 13.242 -13.417 -2.618 83 HG22 THR 9 1HG2 THR 9 12.434 -12.283 -1.537 84 HG23 THR 9 2HG2 THR 9 12.025 -14.012 -1.479 85 H GLY 10 HN GLY 10 8.496 -14.755 -3.185 86 HA2 GLY 10 1HA GLY 10 7.854 -16.651 -2.030 87 HA3 GLY 10 2HA GLY 10 8.604 -16.028 -0.553 88 H LYS 11 HN LYS 11 5.894 -15.638 -2.697 89 HA LYS 11 HA LYS 11 3.669 -15.180 -2.476 90 HB2 LYS 11 2HB LYS 11 4.082 -14.731 0.502 91 HB3 LYS 11 3HB LYS 11 2.593 -14.469 -0.377 92 HG2 LYS 11 2HG LYS 11 2.383 -16.786 -0.979 93 HG3 LYS 11 3HG LYS 11 3.981 -17.157 -0.327 94 HD2 LYS 11 2HD LYS 11 2.319 -17.912 1.218 95 HD3 LYS 11 3HD LYS 11 3.201 -16.589 1.958 96 HE2 LYS 11 2HE LYS 11 0.488 -16.237 0.609 97 HE3 LYS 11 3HE LYS 11 0.670 -16.716 2.296 98 HZ1 LYS 11 3HZ LYS 11 2.054 -14.613 2.509 99 HZ2 LYS 11 1HZ LYS 11 1.292 -14.088 1.140 100 HZ3 LYS 11 2HZ LYS 11 0.435 -14.477 2.464 101 H THR 12 HN THR 12 2.427 -13.229 -2.498 102 HA THR 12 HA THR 12 4.084 -10.815 -2.710 103 HB THR 12 HB THR 12 1.134 -11.240 -3.326 104 HG1 THR 12 HG1 THR 12 2.488 -12.603 -4.600 105 HG21 THR 12 3HG2 THR 12 1.749 -8.838 -3.234 106 HG22 THR 12 1HG2 THR 12 3.187 -9.164 -4.204 107 HG23 THR 12 2HG2 THR 12 1.561 -9.335 -4.916 108 H ILE 13 HN ILE 13 4.225 -11.677 -0.163 109 HA ILE 13 HA ILE 13 3.805 -11.384 2.003 110 HB ILE 13 HB ILE 13 3.685 -8.728 0.754 111 HG12 ILE 13 2HG1 ILE 13 4.948 -9.803 3.307 112 HG13 ILE 13 3HG1 ILE 13 5.645 -9.913 1.687 113 HG21 ILE 13 1HG2 ILE 13 1.656 -8.380 2.162 114 HG22 ILE 13 2HG2 ILE 13 2.694 -8.704 3.593 115 HG23 ILE 13 3HG2 ILE 13 3.007 -7.332 2.548 116 HD11 ILE 13 3HD1 ILE 13 6.698 -8.094 2.822 117 HD12 ILE 13 1HD1 ILE 13 5.659 -7.410 1.559 118 HD13 ILE 13 2HD1 ILE 13 5.153 -7.362 3.273 119 H THR 14 HN THR 14 1.855 -10.428 3.644 120 HA THR 14 HA THR 14 -0.752 -10.902 2.425 121 HB THR 14 HB THR 14 -0.040 -11.764 5.262 122 HG1 THR 14 HG1 THR 14 0.581 -13.502 4.496 123 HG21 THR 14 3HG2 THR 14 -2.276 -12.910 5.105 124 HG22 THR 14 1HG2 THR 14 -2.381 -11.152 5.045 125 HG23 THR 14 2HG2 THR 14 -2.544 -12.097 3.549 126 H LEU 15 HN LEU 15 -2.208 -9.197 3.198 127 HA LEU 15 HA LEU 15 -1.320 -7.615 5.440 128 HG LEU 15 HG LEU 15 -0.898 -4.328 3.824 129 HB2 LEU 15 2HB LEU 15 -0.826 -6.621 2.850 130 HB3 LEU 15 3HB LEU 15 -2.421 -5.988 3.197 131 HD11 LEU 15 1HD1 LEU 15 -1.536 -5.762 6.443 132 HD12 LEU 15 2HD1 LEU 15 -1.190 -4.088 6.276 133 HD13 LEU 15 3HD1 LEU 15 -2.680 -4.749 5.543 134 HD21 LEU 15 3HD2 LEU 15 0.976 -4.533 5.382 135 HD22 LEU 15 1HD2 LEU 15 0.683 -6.279 5.492 136 HD23 LEU 15 2HD2 LEU 15 1.191 -5.578 3.950 137 H GLU 16 HN GLU 16 -3.327 -6.497 6.355 138 HA GLU 16 HA GLU 16 -5.793 -7.968 5.590 139 HB2 GLU 16 2HB GLU 16 -4.506 -7.761 8.318 140 HB3 GLU 16 3HB GLU 16 -6.048 -8.543 7.932 141 HG2 GLU 16 2HG GLU 16 -4.852 -10.074 6.333 142 HG3 GLU 16 3HG GLU 16 -3.314 -9.354 6.826 143 H VAL 17 HN VAL 17 -5.693 -5.638 4.746 144 HA VAL 17 HA VAL 17 -6.719 -3.572 6.584 145 HB VAL 17 HB VAL 17 -4.791 -3.138 5.398 146 HG11 VAL 17 1HG1 VAL 17 -6.136 -4.249 2.984 147 HG12 VAL 17 2HG1 VAL 17 -4.822 -3.108 2.762 148 HG13 VAL 17 3HG1 VAL 17 -4.531 -4.616 3.650 149 HG21 VAL 17 3HG2 VAL 17 -5.369 -1.259 3.800 150 HG22 VAL 17 1HG2 VAL 17 -7.029 -1.697 4.011 151 HG23 VAL 17 2HG2 VAL 17 -6.034 -1.197 5.409 152 H GLU 18 HN GLU 18 -8.516 -2.106 5.478 153 HA GLU 18 HA GLU 18 -10.517 -3.945 4.342 154 HB2 GLU 18 2HB GLU 18 -12.137 -3.133 5.946 155 HB3 GLU 18 3HB GLU 18 -10.874 -4.110 6.602 156 HG2 GLU 18 2HG GLU 18 -11.289 -2.368 8.164 157 HG3 GLU 18 3HG GLU 18 -9.722 -2.046 7.453 158 HA PRO 19 HA PRO 19 -11.085 -0.720 1.608 159 HB2 PRO 19 2HB PRO 19 -13.468 -1.274 0.411 160 HB3 PRO 19 3HB PRO 19 -12.096 -2.392 0.412 161 HG2 PRO 19 2HG PRO 19 -14.478 -2.409 2.261 162 HG3 PRO 19 3HG PRO 19 -13.796 -3.773 1.326 163 HD2 PRO 19 2HD PRO 19 -13.166 -3.288 3.963 164 HD3 PRO 19 3HD PRO 19 -12.009 -4.022 2.813 165 H SER 20 HN SER 20 -11.874 0.269 4.283 166 HA SER 20 HA SER 20 -13.250 2.661 3.203 167 HG SER 20 HG SER 20 -15.702 2.691 4.369 168 HB2 SER 20 2HB SER 20 -13.912 0.983 5.615 169 HB3 SER 20 3HB SER 20 -14.115 2.719 5.703 170 H ASP 21 HN ASP 21 -10.381 1.365 4.394 171 HA ASP 21 HA ASP 21 -9.793 3.539 6.068 172 HB2 ASP 21 2HB ASP 21 -7.440 2.618 6.119 173 HB3 ASP 21 3HB ASP 21 -8.782 1.911 6.966 174 H THR 22 HN THR 22 -7.326 4.537 5.669 175 HA THR 22 HA THR 22 -7.808 6.424 3.423 176 HB THR 22 HB THR 22 -6.245 7.891 4.702 177 HG1 THR 22 HG1 THR 22 -6.563 6.973 7.092 178 HG21 THR 22 3HG2 THR 22 -8.779 6.993 6.135 179 HG22 THR 22 1HG2 THR 22 -7.904 8.514 6.425 180 HG23 THR 22 2HG2 THR 22 -8.641 8.227 4.860 181 H ILE 23 HN ILE 23 -5.864 7.106 2.150 182 HA ILE 23 HA ILE 23 -4.093 4.996 1.414 183 HB ILE 23 HB ILE 23 -4.258 7.917 0.989 184 HG12 ILE 23 2HG1 ILE 23 -4.230 7.390 -1.366 185 HG13 ILE 23 3HG1 ILE 23 -3.960 5.666 -0.991 186 HG21 ILE 23 1HG2 ILE 23 -1.915 7.847 1.504 187 HG22 ILE 23 2HG2 ILE 23 -1.655 6.510 0.366 188 HG23 ILE 23 3HG2 ILE 23 -2.128 8.147 -0.197 189 HD11 ILE 23 3HD1 ILE 23 -6.265 6.203 -1.593 190 HD12 ILE 23 1HD1 ILE 23 -6.139 5.568 0.062 191 HD13 ILE 23 2HD1 ILE 23 -6.388 7.319 -0.220 192 H GLU 24 HN GLU 24 -3.836 7.578 3.880 193 HA GLU 24 HA GLU 24 -1.206 7.001 4.734 194 HB2 GLU 24 2HB GLU 24 -3.608 8.259 6.068 195 HB3 GLU 24 3HB GLU 24 -2.133 7.956 6.985 196 HG2 GLU 24 2HG GLU 24 -2.135 9.508 4.365 197 HG3 GLU 24 3HG GLU 24 -2.349 10.260 5.941 198 H ASN 25 HN ASN 25 -4.342 5.606 5.938 199 HA ASN 25 HA ASN 25 -3.019 3.922 7.841 200 HB2 ASN 25 2HB ASN 25 -5.732 3.997 6.580 201 HB3 ASN 25 3HB ASN 25 -5.221 2.457 7.247 202 HD21 ASN 25 1HD2 ASN 25 -4.640 5.843 8.397 203 HD22 ASN 25 2HD2 ASN 25 -5.286 5.556 9.991 204 H VAL 26 HN VAL 26 -3.981 3.254 4.425 205 HA VAL 26 HA VAL 26 -2.999 0.573 4.575 206 HB VAL 26 HB VAL 26 -3.302 2.278 2.107 207 HG11 VAL 26 1HG1 VAL 26 -3.619 0.412 0.754 208 HG12 VAL 26 2HG1 VAL 26 -2.131 0.090 1.629 209 HG13 VAL 26 3HG1 VAL 26 -3.667 -0.720 2.094 210 HG21 VAL 26 3HG2 VAL 26 -5.575 0.841 2.093 211 HG22 VAL 26 1HG2 VAL 26 -5.259 0.895 3.841 212 HG23 VAL 26 2HG2 VAL 26 -5.414 2.373 2.924 213 H LYS 27 HN LYS 27 -1.295 3.680 3.936 214 HA LYS 27 HA LYS 27 1.047 2.167 2.986 215 HB2 LYS 27 2HB LYS 27 2.208 4.149 2.888 216 HB3 LYS 27 3HB LYS 27 0.694 4.398 2.050 217 HG2 LYS 27 2HG LYS 27 0.145 6.161 3.297 218 HG3 LYS 27 3HG LYS 27 0.704 5.420 4.817 219 HD2 LYS 27 2HD LYS 27 2.014 7.403 4.236 220 HD3 LYS 27 3HD LYS 27 2.973 5.936 4.358 221 HE2 LYS 27 2HE LYS 27 2.569 5.830 1.698 222 HE3 LYS 27 3HE LYS 27 2.206 7.549 1.918 223 HZ1 LYS 27 3HZ LYS 27 4.443 7.497 1.514 224 HZ2 LYS 27 1HZ LYS 27 4.427 7.552 3.161 225 HZ3 LYS 27 2HZ LYS 27 4.733 6.121 2.383 226 H ALA 28 HN ALA 28 -0.046 3.699 5.990 227 HA ALA 28 HA ALA 28 2.306 3.345 7.465 228 HB1 ALA 28 1HB ALA 28 0.437 4.748 8.113 229 HB2 ALA 28 2HB ALA 28 -0.633 3.340 8.246 230 HB3 ALA 28 3HB ALA 28 0.726 3.532 9.366 231 H LYS 29 HN LYS 29 -0.609 1.191 7.217 232 HA LYS 29 HA LYS 29 0.340 -0.763 8.921 233 HB2 LYS 29 2HB LYS 29 -1.179 -2.329 7.942 234 HB3 LYS 29 3HB LYS 29 -1.929 -0.713 7.976 235 HG2 LYS 29 2HG LYS 29 -1.187 -0.382 5.649 236 HG3 LYS 29 3HG LYS 29 -0.576 -2.047 5.625 237 HD2 LYS 29 2HD LYS 29 -2.985 -2.685 6.274 238 HD3 LYS 29 3HD LYS 29 -3.450 -1.059 5.827 239 HE2 LYS 29 2HE LYS 29 -2.944 -3.330 4.102 240 HE3 LYS 29 3HE LYS 29 -3.581 -1.740 3.692 241 HZ1 LYS 29 3HZ LYS 29 -0.757 -2.490 3.727 242 HZ2 LYS 29 1HZ LYS 29 -1.672 -2.208 2.375 243 HZ3 LYS 29 2HZ LYS 29 -1.305 -0.990 3.419 244 H ILE 30 HN ILE 30 1.642 -0.091 5.791 245 HA ILE 30 HA ILE 30 3.074 -2.685 5.692 246 HB ILE 30 HB ILE 30 3.829 -0.942 3.533 247 HG12 ILE 30 2HG1 ILE 30 0.880 -1.434 3.465 248 HG13 ILE 30 3HG1 ILE 30 1.553 0.099 3.998 249 HG21 ILE 30 1HG2 ILE 30 3.124 -2.793 2.185 250 HG22 ILE 30 2HG2 ILE 30 3.853 -3.443 3.648 251 HG23 ILE 30 3HG2 ILE 30 2.084 -3.436 3.490 252 HD11 ILE 30 3HD1 ILE 30 2.571 0.551 1.936 253 HD12 ILE 30 1HD1 ILE 30 2.097 -1.037 1.302 254 HD13 ILE 30 2HD1 ILE 30 0.854 0.154 1.677 255 H GLN 31 HN GLN 31 3.569 0.816 6.204 256 HA GLN 31 HA GLN 31 6.377 0.780 6.219 257 HB2 GLN 31 2HB GLN 31 6.205 2.912 6.892 258 HB3 GLN 31 3HB GLN 31 4.535 2.692 6.487 259 HG2 GLN 31 2HG GLN 31 4.401 3.813 8.443 260 HG3 GLN 31 3HG GLN 31 4.173 2.200 9.038 261 HE21 GLN 31 1HE2 GLN 31 6.084 1.160 10.303 262 HE22 GLN 31 2HE2 GLN 31 6.984 2.356 11.179 263 H ASP 32 HN ASP 32 3.964 0.169 8.730 264 HA ASP 32 HA ASP 32 5.738 -0.753 10.772 265 HB2 ASP 32 2HB ASP 32 2.941 -0.224 10.499 266 HB3 ASP 32 3HB ASP 32 3.086 -1.877 11.050 267 H LYS 33 HN LYS 33 3.530 -2.691 8.632 268 HA LYS 33 HA LYS 33 4.319 -5.122 9.707 269 HB2 LYS 33 2HB LYS 33 2.286 -4.814 8.446 270 HB3 LYS 33 3HB LYS 33 3.173 -4.556 6.938 271 HG2 LYS 33 2HG LYS 33 3.532 -7.122 8.484 272 HG3 LYS 33 3HG LYS 33 2.052 -6.885 7.572 273 HD2 LYS 33 2HD LYS 33 3.049 -6.912 5.507 274 HD3 LYS 33 3HD LYS 33 4.650 -6.433 6.076 275 HE2 LYS 33 2HE LYS 33 3.339 -9.051 6.905 276 HE3 LYS 33 3HE LYS 33 4.281 -8.929 5.412 277 HZ1 LYS 33 3HZ LYS 33 5.461 -9.674 7.522 278 HZ2 LYS 33 1HZ LYS 33 6.229 -8.553 6.597 279 HZ3 LYS 33 2HZ LYS 33 5.469 -8.071 7.960 280 H GLU 34 HN GLU 34 6.086 -3.288 7.243 281 HA GLU 34 HA GLU 34 7.824 -5.686 6.857 282 HB2 GLU 34 2HB GLU 34 6.658 -4.046 4.927 283 HB3 GLU 34 3HB GLU 34 8.295 -3.413 5.043 284 HG2 GLU 34 2HG GLU 34 7.453 -6.283 4.475 285 HG3 GLU 34 3HG GLU 34 8.104 -5.138 3.315 286 H GLY 35 HN GLY 35 7.655 -3.068 8.886 287 HA2 GLY 35 1HA GLY 35 9.089 -1.755 9.990 288 HA3 GLY 35 2HA GLY 35 10.275 -3.050 9.809 289 H ILE 36 HN ILE 36 8.761 -0.353 8.000 290 HA ILE 36 HA ILE 36 11.342 0.420 6.852 291 HB ILE 36 HB ILE 36 10.579 -0.917 5.104 292 HG12 ILE 36 2HG1 ILE 36 9.781 1.952 4.463 293 HG13 ILE 36 3HG1 ILE 36 11.404 1.242 4.365 294 HG21 ILE 36 1HG2 ILE 36 7.885 0.358 4.915 295 HG22 ILE 36 2HG2 ILE 36 8.474 -1.159 4.184 296 HG23 ILE 36 3HG2 ILE 36 8.114 -1.099 5.895 297 HD11 ILE 36 3HD1 ILE 36 10.513 -0.341 2.622 298 HD12 ILE 36 1HD1 ILE 36 8.973 0.544 2.660 299 HD13 ILE 36 2HD1 ILE 36 10.451 1.366 2.155 300 HA PRO 37 HA PRO 37 9.261 3.978 8.443 301 HB2 PRO 37 2HB PRO 37 11.167 5.918 7.947 302 HB3 PRO 37 3HB PRO 37 11.431 4.635 9.152 303 HG2 PRO 37 2HG PRO 37 12.373 4.702 6.279 304 HG3 PRO 37 3HG PRO 37 13.340 4.368 7.757 305 HD2 PRO 37 2HD PRO 37 12.316 2.348 6.256 306 HD3 PRO 37 3HD PRO 37 12.350 2.242 8.042 307 HA PRO 38 HA PRO 38 7.344 6.155 5.081 308 HB2 PRO 38 2HB PRO 38 6.999 8.698 6.059 309 HB3 PRO 38 3HB PRO 38 6.117 7.267 6.691 310 HG2 PRO 38 2HG PRO 38 8.663 8.520 7.779 311 HG3 PRO 38 3HG PRO 38 7.158 8.131 8.676 312 HD2 PRO 38 2HD PRO 38 9.182 6.406 8.719 313 HD3 PRO 38 3HD PRO 38 7.529 5.804 8.450 314 H ASP 39 HN ASP 39 10.587 7.042 5.822 315 HA ASP 39 HA ASP 39 10.998 9.274 4.123 316 HB2 ASP 39 2HB ASP 39 12.874 6.965 4.780 317 HB3 ASP 39 3HB ASP 39 13.360 8.463 3.982 318 H GLN 40 HN GLN 40 10.014 6.125 3.320 319 HA GLN 40 HA GLN 40 10.332 6.619 0.476 320 HB2 GLN 40 2HB GLN 40 12.228 5.003 1.733 321 HB3 GLN 40 3HB GLN 40 11.032 3.806 1.289 322 HG2 GLN 40 2HG GLN 40 12.682 3.976 -0.458 323 HG3 GLN 40 3HG GLN 40 11.192 4.683 -1.100 324 HE21 GLN 40 1HE2 GLN 40 11.338 6.911 -1.896 325 HE22 GLN 40 2HE2 GLN 40 12.727 7.891 -1.488 326 H GLN 41 HN GLN 41 9.308 3.984 -0.156 327 HA GLN 41 HA GLN 41 7.528 2.725 -0.208 328 HB2 GLN 41 2HB GLN 41 8.056 2.678 2.379 329 HB3 GLN 41 3HB GLN 41 6.489 3.475 2.485 330 HG2 GLN 41 2HG GLN 41 5.586 1.660 0.990 331 HG3 GLN 41 3HG GLN 41 7.143 0.825 1.098 332 HE21 GLN 41 1HE2 GLN 41 6.940 -0.934 2.477 333 HE22 GLN 41 2HE2 GLN 41 6.042 -0.869 3.978 334 H ARG 42 HN ARG 42 7.105 4.123 -1.823 335 HA ARG 42 HA ARG 42 4.881 5.995 -1.913 336 HE ARG 42 HE ARG 42 7.309 9.269 -4.868 337 HB2 ARG 42 2HB ARG 42 6.454 4.296 -3.948 338 HB3 ARG 42 3HB ARG 42 5.164 5.373 -4.435 339 HG2 ARG 42 2HG ARG 42 7.581 6.355 -2.854 340 HG3 ARG 42 3HG ARG 42 7.583 6.218 -4.600 341 HD2 ARG 42 2HD ARG 42 5.173 7.651 -3.826 342 HD3 ARG 42 3HD ARG 42 6.529 8.336 -2.959 343 HH11 ARG 42 2HH2 ARG 42 4.780 7.044 -5.928 344 HH12 ARG 42 1HH2 ARG 42 5.288 7.028 -7.588 345 HH21 ARG 42 2HH1 ARG 42 7.893 9.377 -7.000 346 HH22 ARG 42 1HH1 ARG 42 7.330 8.248 -8.191 347 H LEU 43 HN LEU 43 2.847 5.357 -1.718 348 HA LEU 43 HA LEU 43 1.923 2.589 -2.254 349 HG LEU 43 HG LEU 43 -1.165 3.973 -0.223 350 HB2 LEU 43 2HB LEU 43 1.394 4.115 -0.174 351 HB3 LEU 43 3HB LEU 43 0.500 5.101 -1.253 352 HD11 LEU 43 1HD1 LEU 43 -1.643 3.540 -2.538 353 HD12 LEU 43 2HD1 LEU 43 -0.587 2.154 -2.558 354 HD13 LEU 43 3HD1 LEU 43 -2.085 2.122 -1.601 355 HD21 LEU 43 3HD2 LEU 43 -0.856 1.448 0.300 356 HD22 LEU 43 1HD2 LEU 43 0.883 1.814 0.071 357 HD23 LEU 43 2HD2 LEU 43 -0.119 2.670 1.245 358 H ILE 44 HN ILE 44 0.811 2.271 -4.334 359 HA ILE 44 HA ILE 44 -0.259 4.629 -5.752 360 HB ILE 44 HB ILE 44 1.280 2.324 -6.916 361 HG12 ILE 44 2HG1 ILE 44 2.624 4.318 -6.285 362 HG13 ILE 44 3HG1 ILE 44 2.688 3.901 -7.986 363 HG21 ILE 44 1HG2 ILE 44 -0.692 2.474 -8.303 364 HG22 ILE 44 2HG2 ILE 44 -0.555 4.239 -8.401 365 HG23 ILE 44 3HG2 ILE 44 0.647 3.187 -9.183 366 HD11 ILE 44 3HD1 ILE 44 2.548 6.341 -7.631 367 HD12 ILE 44 1HD1 ILE 44 1.182 5.746 -8.577 368 HD13 ILE 44 2HD1 ILE 44 0.966 6.148 -6.840 369 H PHE 45 HN PHE 45 -2.445 3.995 -6.597 370 HA PHE 45 HA PHE 45 -3.326 1.328 -5.533 371 HD1 PHE 45 HD1 PHE 45 -5.233 0.361 -4.831 372 HD2 PHE 45 HD2 PHE 45 -5.418 4.389 -3.315 373 HE1 PHE 45 HE1 PHE 45 -5.254 -0.481 -2.523 374 HE2 PHE 45 HE2 PHE 45 -5.550 3.522 -1.027 375 HZ PHE 45 HZ PHE 45 -5.451 1.088 -0.605 376 HB2 PHE 45 2HB PHE 45 -4.769 3.917 -5.764 377 HB3 PHE 45 3HB PHE 45 -5.658 2.521 -6.319 378 H ALA 46 HN ALA 46 -3.751 3.455 -8.361 379 HA ALA 46 HA ALA 46 -3.382 1.222 -10.197 380 HB1 ALA 46 1HB ALA 46 -5.773 1.028 -9.727 381 HB2 ALA 46 2HB ALA 46 -5.988 2.782 -9.869 382 HB3 ALA 46 3HB ALA 46 -5.587 1.823 -11.300 383 H GLY 47 HN GLY 47 -1.489 2.494 -10.678 384 HA2 GLY 47 1HA GLY 47 -0.237 4.204 -11.555 385 HA3 GLY 47 2HA GLY 47 -1.444 4.014 -12.826 386 H LYS 48 HN LYS 48 -1.513 5.624 -9.562 387 HA LYS 48 HA LYS 48 -2.303 8.117 -10.923 388 HB2 LYS 48 2HB LYS 48 -4.176 8.504 -9.570 389 HB3 LYS 48 3HB LYS 48 -4.362 7.016 -10.448 390 HG2 LYS 48 2HG LYS 48 -3.970 5.703 -8.384 391 HG3 LYS 48 3HG LYS 48 -3.797 7.204 -7.458 392 HD2 LYS 48 2HD LYS 48 -6.244 6.410 -9.098 393 HD3 LYS 48 3HD LYS 48 -6.150 6.203 -7.381 394 HE2 LYS 48 2HE LYS 48 -5.464 8.973 -7.978 395 HE3 LYS 48 3HE LYS 48 -6.831 8.550 -8.985 396 HZ1 LYS 48 3HZ LYS 48 -6.772 8.512 -6.028 397 HZ2 LYS 48 1HZ LYS 48 -7.630 9.497 -6.990 398 HZ3 LYS 48 2HZ LYS 48 -8.012 7.906 -6.925 399 H GLN 49 HN GLN 49 -2.447 9.976 -9.415 400 HA GLN 49 HA GLN 49 -0.078 10.507 -8.057 401 HB2 GLN 49 2HB GLN 49 -1.774 12.125 -8.974 402 HB3 GLN 49 3HB GLN 49 -2.828 11.737 -7.609 403 HG2 GLN 49 2HG GLN 49 -1.068 12.599 -6.052 404 HG3 GLN 49 3HG GLN 49 -0.049 12.982 -7.443 405 HE21 GLN 49 1HE2 GLN 49 -0.323 15.141 -8.280 406 HE22 GLN 49 2HE2 GLN 49 -1.744 16.086 -8.013 407 H LEU 50 HN LEU 50 -3.066 9.104 -6.855 408 HA LEU 50 HA LEU 50 -3.627 8.018 -4.952 409 HG LEU 50 HG LEU 50 -1.214 5.321 -4.094 410 HB2 LEU 50 2HB LEU 50 -1.458 6.894 -5.709 411 HB3 LEU 50 3HB LEU 50 -0.658 7.722 -4.418 412 HD11 LEU 50 1HD1 LEU 50 -2.298 7.287 -2.149 413 HD12 LEU 50 2HD1 LEU 50 -1.895 5.595 -1.771 414 HD13 LEU 50 3HD1 LEU 50 -0.637 6.747 -2.267 415 HD21 LEU 50 3HD2 LEU 50 -4.024 6.181 -3.572 416 HD22 LEU 50 1HD2 LEU 50 -3.476 5.556 -5.162 417 HD23 LEU 50 2HD2 LEU 50 -3.291 4.554 -3.709 418 H GLU 51 HN GLU 51 -4.327 10.228 -4.754 419 HA GLU 51 HA GLU 51 -3.483 12.175 -2.897 420 HB2 GLU 51 2HB GLU 51 -5.115 12.643 -4.614 421 HB3 GLU 51 3HB GLU 51 -6.111 11.278 -4.150 422 HG2 GLU 51 2HG GLU 51 -6.734 12.392 -2.040 423 HG3 GLU 51 3HG GLU 51 -5.703 13.767 -2.462 424 H ASP 52 HN ASP 52 -3.405 12.100 -0.800 425 HA ASP 52 HA ASP 52 -3.617 9.759 0.580 426 HB2 ASP 52 2HB ASP 52 -3.335 12.560 1.703 427 HB3 ASP 52 3HB ASP 52 -2.941 11.062 2.537 428 H GLY 53 HN GLY 53 -5.510 12.739 0.968 429 HA2 GLY 53 1HA GLY 53 -6.829 11.823 3.374 430 HA3 GLY 53 2HA GLY 53 -6.977 13.406 2.580 431 H ARG 54 HN ARG 54 -7.716 9.992 1.943 432 HA ARG 54 HA ARG 54 -10.353 10.749 0.821 433 HE ARG 54 HE ARG 54 -11.909 10.847 -3.688 434 HB2 ARG 54 2HB ARG 54 -7.975 10.204 -0.667 435 HB3 ARG 54 3HB ARG 54 -8.945 8.758 -0.814 436 HG2 ARG 54 2HG ARG 54 -10.185 11.518 -1.242 437 HG3 ARG 54 3HG ARG 54 -9.203 10.796 -2.513 438 HD2 ARG 54 2HD ARG 54 -10.649 9.006 -2.865 439 HD3 ARG 54 3HD ARG 54 -11.434 9.157 -1.306 440 HH11 ARG 54 2HH2 ARG 54 -12.917 10.079 -0.294 441 HH12 ARG 54 1HH2 ARG 54 -14.548 10.520 -0.597 442 HH21 ARG 54 2HH1 ARG 54 -14.166 11.216 -3.994 443 HH22 ARG 54 1HH1 ARG 54 -15.234 11.265 -2.606 444 H THR 55 HN THR 55 -10.780 8.052 -0.178 445 HA THR 55 HA THR 55 -11.259 6.660 2.353 446 HB THR 55 HB THR 55 -13.500 7.025 0.359 447 HG1 THR 55 HG1 THR 55 -13.190 8.802 2.528 448 HG21 THR 55 3HG2 THR 55 -13.520 6.739 3.399 449 HG22 THR 55 1HG2 THR 55 -14.926 6.687 2.314 450 HG23 THR 55 2HG2 THR 55 -13.704 5.398 2.260 451 H LEU 56 HN LEU 56 -10.768 4.572 2.016 452 HA LEU 56 HA LEU 56 -9.983 3.400 -0.392 453 HG LEU 56 HG LEU 56 -9.087 1.053 2.344 454 HB2 LEU 56 2HB LEU 56 -10.922 2.524 2.257 455 HB3 LEU 56 3HB LEU 56 -11.112 1.358 0.989 456 HD11 LEU 56 1HD1 LEU 56 -9.434 0.090 0.167 457 HD12 LEU 56 2HD1 LEU 56 -8.760 1.546 -0.589 458 HD13 LEU 56 3HD1 LEU 56 -7.738 0.500 0.411 459 HD21 LEU 56 3HD2 LEU 56 -8.342 3.752 1.396 460 HD22 LEU 56 1HD2 LEU 56 -7.664 2.780 2.703 461 HD23 LEU 56 2HD2 LEU 56 -7.102 2.553 1.074 462 H SER 57 HN SER 57 -13.228 3.800 0.894 463 HA SER 57 HA SER 57 -14.732 2.216 -0.816 464 HG SER 57 HG SER 57 -17.112 3.396 -0.975 465 HB2 SER 57 2HB SER 57 -15.790 3.260 1.021 466 HB3 SER 57 3HB SER 57 -15.214 4.866 0.557 467 H ASP 58 HN ASP 58 -13.105 5.307 -1.613 468 HA ASP 58 HA ASP 58 -14.545 5.618 -4.155 469 HB2 ASP 58 2HB ASP 58 -13.917 7.675 -3.251 470 HB3 ASP 58 3HB ASP 58 -12.334 7.099 -2.728 471 H TYR 59 HN TYR 59 -11.171 4.932 -3.177 472 HA TYR 59 HA TYR 59 -10.209 4.464 -5.794 473 HD1 TYR 59 HD1 TYR 59 -9.670 6.268 -2.734 474 HD2 TYR 59 HD2 TYR 59 -6.928 4.502 -5.544 475 HE1 TYR 59 HE1 TYR 59 -8.328 8.358 -2.776 476 HE2 TYR 59 HE2 TYR 59 -5.488 6.531 -5.396 477 HH TYR 59 HH TYR 59 -5.943 9.091 -3.199 478 HB2 TYR 59 2HB TYR 59 -9.295 3.582 -3.051 479 HB3 TYR 59 3HB TYR 59 -8.413 3.121 -4.489 480 H ASN 60 HN ASN 60 -11.403 2.273 -3.364 481 HA ASN 60 HA ASN 60 -12.312 0.305 -3.303 482 HB2 ASN 60 2HB ASN 60 -13.787 1.986 -4.664 483 HB3 ASN 60 3HB ASN 60 -13.553 0.862 -5.987 484 HD21 ASN 60 1HD2 ASN 60 -15.306 1.560 -3.185 485 HD22 ASN 60 2HD2 ASN 60 -16.098 0.008 -2.918 486 H ILE 61 HN ILE 61 -11.073 -1.428 -3.293 487 HA ILE 61 HA ILE 61 -10.403 -2.802 -5.791 488 HB ILE 61 HB ILE 61 -8.084 -2.866 -5.068 489 HG12 ILE 61 2HG1 ILE 61 -8.176 -2.234 -2.652 490 HG13 ILE 61 3HG1 ILE 61 -7.076 -1.270 -3.599 491 HG21 ILE 61 1HG2 ILE 61 -7.342 -0.695 -5.827 492 HG22 ILE 61 2HG2 ILE 61 -8.664 -1.355 -6.795 493 HG23 ILE 61 3HG2 ILE 61 -8.991 -0.051 -5.658 494 HD11 ILE 61 3HD1 ILE 61 -8.014 0.177 -2.097 495 HD12 ILE 61 1HD1 ILE 61 -8.771 0.617 -3.611 496 HD13 ILE 61 2HD1 ILE 61 -9.678 -0.333 -2.398 497 H GLN 62 HN GLN 62 -10.480 -4.974 -5.467 498 HA GLN 62 HA GLN 62 -10.080 -6.114 -2.776 499 HB2 GLN 62 2HB GLN 62 -12.627 -6.504 -4.391 500 HB3 GLN 62 3HB GLN 62 -12.132 -7.550 -3.059 501 HG2 GLN 62 2HG GLN 62 -12.065 -5.532 -1.539 502 HG3 GLN 62 3HG GLN 62 -12.668 -4.546 -2.875 503 HE21 GLN 62 1HE2 GLN 62 -14.739 -5.461 -3.964 504 HE22 GLN 62 2HE2 GLN 62 -15.975 -6.054 -2.874 505 H LYS 63 HN LYS 63 -8.316 -7.012 -3.396 506 HA LYS 63 HA LYS 63 -6.943 -8.674 -3.938 507 HB2 LYS 63 2HB LYS 63 -8.902 -10.154 -4.534 508 HB3 LYS 63 3HB LYS 63 -8.732 -9.605 -6.214 509 HG2 LYS 63 2HG LYS 63 -6.340 -10.425 -6.172 510 HG3 LYS 63 3HG LYS 63 -6.629 -11.092 -4.570 511 HD2 LYS 63 2HD LYS 63 -8.074 -11.884 -7.132 512 HD3 LYS 63 3HD LYS 63 -6.712 -12.734 -6.417 513 HE2 LYS 63 2HE LYS 63 -8.091 -13.146 -4.360 514 HE3 LYS 63 3HE LYS 63 -9.476 -12.441 -5.185 515 HZ1 LYS 63 3HZ LYS 63 -9.418 -14.861 -5.346 516 HZ2 LYS 63 1HZ LYS 63 -9.285 -14.212 -6.849 517 HZ3 LYS 63 2HZ LYS 63 -7.957 -14.827 -6.100 518 H GLU 64 HN GLU 64 -8.257 -7.128 -7.079 519 HA GLU 64 HA GLU 64 -5.739 -7.265 -8.324 520 HB2 GLU 64 2HB GLU 64 -7.767 -5.004 -8.623 521 HB3 GLU 64 3HB GLU 64 -6.311 -5.204 -9.567 522 HG2 GLU 64 2HG GLU 64 -7.768 -6.152 -10.997 523 HG3 GLU 64 3HG GLU 64 -7.221 -7.591 -10.133 524 H SER 65 HN SER 65 -6.955 -5.015 -6.002 525 HA SER 65 HA SER 65 -5.772 -2.793 -5.749 526 HG SER 65 HG SER 65 -5.895 -2.889 -2.275 527 HB2 SER 65 2HB SER 65 -6.937 -3.934 -3.831 528 HB3 SER 65 3HB SER 65 -5.534 -4.913 -3.561 529 H THR 66 HN THR 66 -3.812 -5.066 -3.973 530 HA THR 66 HA THR 66 -1.736 -5.572 -3.713 531 HB THR 66 HB THR 66 -1.845 -5.365 -6.697 532 HG1 THR 66 HG1 THR 66 -3.276 -6.800 -6.239 533 HG21 THR 66 3HG2 THR 66 0.038 -6.996 -4.957 534 HG22 THR 66 1HG2 THR 66 -0.157 -7.135 -6.721 535 HG23 THR 66 2HG2 THR 66 0.475 -5.646 -6.042 536 H LEU 67 HN LEU 67 -1.970 -2.544 -5.403 537 HA LEU 67 HA LEU 67 -1.060 -0.667 -5.303 538 HG LEU 67 HG LEU 67 0.097 -2.217 -2.074 539 HB2 LEU 67 2HB LEU 67 -1.193 0.260 -3.199 540 HB3 LEU 67 3HB LEU 67 -2.084 -1.207 -3.070 541 HD11 LEU 67 1HD1 LEU 67 1.458 -0.530 -0.773 542 HD12 LEU 67 2HD1 LEU 67 1.801 -0.592 -2.483 543 HD13 LEU 67 3HD1 LEU 67 0.815 0.710 -1.857 544 HD21 LEU 67 3HD2 LEU 67 -1.666 -0.166 -0.763 545 HD22 LEU 67 1HD2 LEU 67 -1.865 -1.902 -0.823 546 HD23 LEU 67 2HD2 LEU 67 -0.550 -1.225 0.158 547 H HIS 68 HN HIS 68 1.137 -3.024 -5.140 548 HA HIS 68 HA HIS 68 3.363 -3.144 -5.741 549 HD1 HIS 68 HD1 HIS 68 -0.039 -3.286 -8.145 550 HD2 HIS 68 HD2 HIS 68 1.792 0.489 -7.790 551 HE1 HIS 68 HE1 HIS 68 -1.900 -1.570 -8.226 552 HB2 HIS 68 2HB HIS 68 3.437 -1.769 -8.046 553 HB3 HIS 68 3HB HIS 68 2.593 -3.290 -7.817 554 H LEU 69 HN LEU 69 4.387 -2.324 -3.980 555 HA LEU 69 HA LEU 69 5.110 0.420 -3.657 556 HG LEU 69 HG LEU 69 5.853 -1.530 -0.435 557 HB2 LEU 69 2HB LEU 69 6.484 -2.140 -2.748 558 HB3 LEU 69 3HB LEU 69 6.978 -0.580 -2.235 559 HD11 LEU 69 1HD1 LEU 69 4.120 0.037 0.089 560 HD12 LEU 69 2HD1 LEU 69 5.307 0.872 -0.916 561 HD13 LEU 69 3HD1 LEU 69 3.793 0.356 -1.626 562 HD21 LEU 69 3HD2 LEU 69 3.394 -2.072 -2.135 563 HD22 LEU 69 1HD2 LEU 69 4.567 -3.277 -1.583 564 HD23 LEU 69 2HD2 LEU 69 3.601 -2.365 -0.402 565 H VAL 70 HN VAL 70 6.880 1.490 -4.444 566 HA VAL 70 HA VAL 70 8.759 0.231 -6.323 567 HB VAL 70 HB VAL 70 8.274 2.255 -7.818 568 HG11 VAL 70 1HG1 VAL 70 6.696 1.019 -9.130 569 HG12 VAL 70 2HG1 VAL 70 7.793 -0.120 -8.362 570 HG13 VAL 70 3HG1 VAL 70 6.153 0.092 -7.718 571 HG21 VAL 70 3HG2 VAL 70 5.530 2.175 -6.468 572 HG22 VAL 70 1HG2 VAL 70 6.670 3.535 -6.402 573 HG23 VAL 70 2HG2 VAL 70 5.940 3.052 -7.939 574 H LEU 71 HN LEU 71 10.589 0.651 -5.246 575 HA LEU 71 HA LEU 71 11.091 3.070 -3.726 576 HG LEU 71 HG LEU 71 12.235 2.142 -1.922 577 HB2 LEU 71 2HB LEU 71 12.708 0.655 -4.559 578 HB3 LEU 71 3HB LEU 71 13.533 2.105 -4.027 579 HD11 LEU 71 1HD1 LEU 71 11.363 -0.654 -2.761 580 HD12 LEU 71 2HD1 LEU 71 11.170 0.050 -1.143 581 HD13 LEU 71 3HD1 LEU 71 10.291 0.745 -2.506 582 HD21 LEU 71 3HD2 LEU 71 13.592 0.380 -0.872 583 HD22 LEU 71 1HD2 LEU 71 13.895 -0.348 -2.468 584 HD23 LEU 71 2HD2 LEU 71 14.527 1.267 -2.076 585 H ARG 72 HN ARG 72 13.508 3.980 -4.459 586 HA ARG 72 HA ARG 72 13.544 4.833 -7.247 587 HE ARG 72 HE ARG 72 14.699 9.113 -8.975 588 HB2 ARG 72 2HB ARG 72 11.981 6.426 -6.005 589 HB3 ARG 72 3HB ARG 72 13.358 6.967 -5.058 590 HG2 ARG 72 2HG ARG 72 13.288 7.090 -8.111 591 HG3 ARG 72 3HG ARG 72 12.569 8.330 -7.088 592 HD2 ARG 72 2HD ARG 72 14.810 8.703 -6.011 593 HD3 ARG 72 3HD ARG 72 15.516 7.615 -7.209 594 HH11 ARG 72 2HH2 ARG 72 14.957 10.602 -5.740 595 HH12 ARG 72 1HH2 ARG 72 14.963 12.215 -6.349 596 HH21 ARG 72 2HH1 ARG 72 14.744 11.325 -9.753 597 HH22 ARG 72 1HH1 ARG 72 14.864 12.603 -8.621 598 H LEU 73 HN LEU 73 14.808 5.287 -3.918 599 HA LEU 73 HA LEU 73 17.345 4.124 -4.659 600 HG LEU 73 HG LEU 73 19.441 7.171 -4.284 601 HB2 LEU 73 2HB LEU 73 17.088 6.973 -4.208 602 HB3 LEU 73 3HB LEU 73 17.749 6.311 -2.736 603 HD11 LEU 73 1HD1 LEU 73 20.039 5.332 -2.718 604 HD12 LEU 73 2HD1 LEU 73 19.751 4.177 -4.050 605 HD13 LEU 73 3HD1 LEU 73 21.033 5.388 -4.177 606 HD21 LEU 73 3HD2 LEU 73 18.288 6.591 -6.422 607 HD22 LEU 73 1HD2 LEU 73 19.992 6.105 -6.368 608 HD23 LEU 73 2HD2 LEU 73 18.731 4.890 -6.169 609 H ARG 74 HN ARG 74 18.074 2.921 -2.768 610 HA ARG 74 HA ARG 74 16.361 2.986 -0.325 611 HE ARG 74 HE ARG 74 16.334 -1.773 1.213 612 HB2 ARG 74 2HB ARG 74 16.832 0.696 -1.455 613 HB3 ARG 74 3HB ARG 74 18.533 0.988 -1.109 614 HG2 ARG 74 2HG ARG 74 17.695 1.273 1.388 615 HG3 ARG 74 3HG ARG 74 16.287 0.386 0.814 616 HD2 ARG 74 2HD ARG 74 18.781 -0.906 -0.051 617 HD3 ARG 74 3HD ARG 74 18.813 -0.597 1.680 618 HH11 ARG 74 2HH2 ARG 74 19.773 -2.680 0.936 619 HH12 ARG 74 1HH2 ARG 74 19.477 -4.380 0.980 620 HH21 ARG 74 2HH1 ARG 74 15.981 -4.021 1.554 621 HH22 ARG 74 1HH1 ARG 74 17.319 -5.122 1.628 622 H GLY 75 HN GLY 75 17.452 3.753 1.554 623 HA2 GLY 75 1HA GLY 75 19.919 5.235 1.206 624 HA3 GLY 75 2HA GLY 75 18.998 5.011 2.701 625 H GLY 76 HN GLY 76 21.565 4.935 3.195 626 HA2 GLY 76 1HA GLY 76 22.145 2.579 4.480 627 HA3 GLY 76 2HA GLY 76 22.889 2.382 2.876 Start of MODEL 18 1 HA MET 1 HA MET 1 -10.850 -7.760 3.134 2 H1 MET 1 HN MET 1 -11.556 -6.338 4.996 3 HB2 MET 1 2HB MET 1 -11.803 -5.894 2.230 4 HB3 MET 1 3HB MET 1 -10.678 -4.767 2.918 5 HG2 MET 1 2HG MET 1 -9.839 -6.676 0.712 6 HG3 MET 1 3HG MET 1 -10.664 -5.175 0.373 7 HE1 MET 1 3HE MET 1 -9.622 -2.919 2.026 8 HE2 MET 1 1HE MET 1 -8.253 -2.376 1.041 9 HE3 MET 1 2HE MET 1 -9.752 -2.920 0.252 10 H GLN 2 HN GLN 2 -9.075 -8.629 1.905 11 HA GLN 2 HA GLN 2 -6.449 -7.888 3.053 12 HB2 GLN 2 2HB GLN 2 -7.098 -9.863 4.145 13 HB3 GLN 2 3HB GLN 2 -7.549 -10.652 2.653 14 HG2 GLN 2 2HG GLN 2 -4.663 -9.840 2.847 15 HG3 GLN 2 3HG GLN 2 -5.225 -11.047 3.996 16 HE21 GLN 2 1HE2 GLN 2 -4.799 -13.133 3.260 17 HE22 GLN 2 2HE2 GLN 2 -5.089 -13.638 1.592 18 H ILE 3 HN ILE 3 -4.755 -7.846 1.831 19 HA ILE 3 HA ILE 3 -4.818 -8.433 -1.037 20 HB ILE 3 HB ILE 3 -3.825 -6.128 -1.469 21 HG12 ILE 3 2HG1 ILE 3 -5.209 -4.686 0.625 22 HG13 ILE 3 3HG1 ILE 3 -4.123 -5.778 1.394 23 HG21 ILE 3 1HG2 ILE 3 -6.700 -6.386 -0.548 24 HG22 ILE 3 2HG2 ILE 3 -6.105 -5.043 -1.452 25 HG23 ILE 3 3HG2 ILE 3 -6.041 -6.672 -2.168 26 HD11 ILE 3 3HD1 ILE 3 -2.210 -4.864 0.140 27 HD12 ILE 3 1HD1 ILE 3 -3.301 -3.774 -0.744 28 HD13 ILE 3 2HD1 ILE 3 -3.081 -3.583 0.998 29 H PHE 4 HN PHE 4 -2.558 -7.795 -1.880 30 HA PHE 4 HA PHE 4 -0.461 -8.875 -0.079 31 HD1 PHE 4 HD2 PHE 4 -1.243 -11.302 -0.292 32 HD2 PHE 4 HD1 PHE 4 -2.018 -9.963 -4.351 33 HE1 PHE 4 HE2 PHE 4 -2.989 -13.023 -0.525 34 HE2 PHE 4 HE1 PHE 4 -3.807 -11.635 -4.539 35 HZ PHE 4 HZ PHE 4 -4.294 -13.206 -2.648 36 HB2 PHE 4 2HB PHE 4 -0.394 -8.906 -3.103 37 HB3 PHE 4 3HB PHE 4 0.509 -9.902 -1.974 38 H VAL 5 HN VAL 5 1.775 -8.156 -1.259 39 HA VAL 5 HA VAL 5 1.695 -5.288 -1.940 40 HB VAL 5 HB VAL 5 3.080 -6.539 0.495 41 HG11 VAL 5 1HG1 VAL 5 2.935 -3.621 -0.403 42 HG12 VAL 5 2HG1 VAL 5 3.792 -4.272 1.020 43 HG13 VAL 5 3HG1 VAL 5 4.327 -4.663 -0.606 44 HG21 VAL 5 3HG2 VAL 5 0.742 -4.546 0.244 45 HG22 VAL 5 1HG2 VAL 5 0.717 -6.134 1.044 46 HG23 VAL 5 2HG2 VAL 5 1.637 -4.841 1.753 47 H LYS 6 HN LYS 6 3.880 -4.571 -2.776 48 HA LYS 6 HA LYS 6 5.634 -6.769 -3.711 49 HB2 LYS 6 2HB LYS 6 4.897 -4.537 -5.578 50 HB3 LYS 6 3HB LYS 6 5.684 -6.063 -5.919 51 HG2 LYS 6 2HG LYS 6 3.482 -7.228 -5.345 52 HG3 LYS 6 3HG LYS 6 2.764 -5.658 -5.142 53 HD2 LYS 6 2HD LYS 6 2.102 -6.300 -7.258 54 HD3 LYS 6 3HD LYS 6 3.381 -5.121 -7.559 55 HE2 LYS 6 2HE LYS 6 4.952 -6.873 -8.150 56 HE3 LYS 6 3HE LYS 6 3.898 -8.102 -7.434 57 HZ1 LYS 6 3HZ LYS 6 2.268 -7.631 -9.191 58 HZ2 LYS 6 1HZ LYS 6 3.410 -6.708 -9.974 59 HZ3 LYS 6 2HZ LYS 6 3.627 -8.325 -9.683 60 H THR 7 HN THR 7 6.718 -6.038 -1.837 61 HA THR 7 HA THR 7 8.213 -3.496 -1.887 62 HB THR 7 HB THR 7 8.628 -4.230 0.370 63 HG1 THR 7 HG1 THR 7 9.136 -6.143 0.744 64 HG21 THR 7 3HG2 THR 7 6.137 -4.144 0.575 65 HG22 THR 7 1HG2 THR 7 6.045 -5.833 -0.017 66 HG23 THR 7 2HG2 THR 7 6.792 -5.435 1.501 67 H LEU 8 HN LEU 8 8.970 -5.816 -4.016 68 HA LEU 8 HA LEU 8 11.708 -5.983 -3.792 69 HG LEU 8 HG LEU 8 9.583 -8.867 -2.750 70 HB2 LEU 8 2HB LEU 8 12.363 -7.980 -2.788 71 HB3 LEU 8 3HB LEU 8 11.508 -7.126 -1.578 72 HD11 LEU 8 1HD1 LEU 8 12.087 -10.456 -2.118 73 HD12 LEU 8 2HD1 LEU 8 10.521 -11.050 -2.716 74 HD13 LEU 8 3HD1 LEU 8 11.563 -10.063 -3.749 75 HD21 LEU 8 3HD2 LEU 8 11.124 -9.379 -0.179 76 HD22 LEU 8 1HD2 LEU 8 9.775 -8.274 -0.314 77 HD23 LEU 8 2HD2 LEU 8 9.528 -9.997 -0.620 78 H THR 9 HN THR 9 8.844 -8.053 -4.476 79 HA THR 9 HA THR 9 9.722 -8.221 -7.252 80 HB THR 9 HB THR 9 9.215 -10.827 -5.758 81 HG1 THR 9 HG1 THR 9 11.631 -9.683 -6.734 82 HG21 THR 9 3HG2 THR 9 9.986 -11.873 -7.835 83 HG22 THR 9 1HG2 THR 9 8.602 -10.819 -8.168 84 HG23 THR 9 2HG2 THR 9 10.240 -10.277 -8.581 85 H GLY 10 HN GLY 10 7.314 -10.111 -5.215 86 HA2 GLY 10 1HA GLY 10 5.131 -8.484 -5.625 87 HA3 GLY 10 2HA GLY 10 5.248 -9.465 -7.095 88 H LYS 11 HN LYS 11 3.917 -9.304 -4.065 89 HA LYS 11 HA LYS 11 2.474 -10.589 -2.978 90 HB2 LYS 11 2HB LYS 11 1.900 -11.500 -5.285 91 HB3 LYS 11 3HB LYS 11 2.903 -12.889 -4.914 92 HG2 LYS 11 2HG LYS 11 0.926 -12.270 -2.785 93 HG3 LYS 11 3HG LYS 11 0.195 -12.519 -4.352 94 HD2 LYS 11 2HD LYS 11 0.204 -14.603 -3.276 95 HD3 LYS 11 3HD LYS 11 1.402 -14.688 -4.575 96 HE2 LYS 11 2HE LYS 11 3.163 -14.152 -2.777 97 HE3 LYS 11 3HE LYS 11 1.893 -14.431 -1.565 98 HZ1 LYS 11 3HZ LYS 11 1.715 -16.702 -2.562 99 HZ2 LYS 11 1HZ LYS 11 3.022 -16.310 -3.528 100 HZ3 LYS 11 2HZ LYS 11 3.194 -16.365 -1.907 101 H THR 12 HN THR 12 2.998 -11.355 -0.992 102 HA THR 12 HA THR 12 4.955 -13.320 -0.462 103 HB THR 12 HB THR 12 6.611 -11.898 -1.236 104 HG1 THR 12 HG1 THR 12 7.118 -11.039 1.277 105 HG21 THR 12 3HG2 THR 12 5.664 -9.484 0.306 106 HG22 THR 12 1HG2 THR 12 7.166 -9.721 -0.550 107 HG23 THR 12 2HG2 THR 12 5.631 -9.715 -1.462 108 H ILE 13 HN ILE 13 4.171 -10.137 0.895 109 HA ILE 13 HA ILE 13 3.452 -11.332 3.454 110 HB ILE 13 HB ILE 13 5.305 -9.849 3.187 111 HG12 ILE 13 2HG1 ILE 13 3.231 -8.537 4.935 112 HG13 ILE 13 3HG1 ILE 13 4.097 -10.019 5.310 113 HG21 ILE 13 1HG2 ILE 13 4.127 -8.337 1.344 114 HG22 ILE 13 2HG2 ILE 13 3.715 -7.354 2.734 115 HG23 ILE 13 3HG2 ILE 13 5.404 -7.723 2.395 116 HD11 ILE 13 3HD1 ILE 13 5.193 -8.025 6.317 117 HD12 ILE 13 1HD1 ILE 13 6.252 -8.906 5.199 118 HD13 ILE 13 2HD1 ILE 13 5.508 -7.390 4.690 119 H THR 14 HN THR 14 1.534 -10.441 4.588 120 HA THR 14 HA THR 14 -0.717 -10.179 2.644 121 HB THR 14 HB THR 14 -0.627 -11.625 5.334 122 HG1 THR 14 HG1 THR 14 0.707 -12.801 4.006 123 HG21 THR 14 3HG2 THR 14 -2.887 -10.998 4.537 124 HG22 THR 14 1HG2 THR 14 -2.555 -11.786 2.975 125 HG23 THR 14 2HG2 THR 14 -2.656 -12.754 4.463 126 H LEU 15 HN LEU 15 -2.403 -8.722 3.274 127 HA LEU 15 HA LEU 15 -1.724 -6.830 5.446 128 HG LEU 15 HG LEU 15 -0.944 -4.145 2.927 129 HB2 LEU 15 2HB LEU 15 -0.855 -6.472 2.943 130 HB3 LEU 15 3HB LEU 15 -2.468 -6.015 2.610 131 HD11 LEU 15 1HD1 LEU 15 -2.232 -2.774 4.487 132 HD12 LEU 15 2HD1 LEU 15 -3.228 -3.730 3.387 133 HD13 LEU 15 3HD1 LEU 15 -3.067 -4.231 5.085 134 HD21 LEU 15 3HD2 LEU 15 0.631 -5.065 4.474 135 HD22 LEU 15 1HD2 LEU 15 -0.019 -3.569 5.153 136 HD23 LEU 15 2HD2 LEU 15 -0.542 -5.126 5.767 137 H GLU 16 HN GLU 16 -3.547 -6.386 6.596 138 HA GLU 16 HA GLU 16 -6.188 -6.981 5.380 139 HB2 GLU 16 2HB GLU 16 -5.198 -7.350 8.207 140 HB3 GLU 16 3HB GLU 16 -6.873 -7.092 7.843 141 HG2 GLU 16 2HG GLU 16 -7.072 -9.286 7.639 142 HG3 GLU 16 3HG GLU 16 -6.384 -9.061 6.023 143 H VAL 17 HN VAL 17 -7.030 -5.087 4.754 144 HA VAL 17 HA VAL 17 -6.936 -2.742 6.533 145 HB VAL 17 HB VAL 17 -5.066 -2.328 5.144 146 HG11 VAL 17 1HG1 VAL 17 -5.023 -2.371 2.704 147 HG12 VAL 17 2HG1 VAL 17 -5.416 -3.982 3.330 148 HG13 VAL 17 3HG1 VAL 17 -6.697 -2.962 2.676 149 HG21 VAL 17 3HG2 VAL 17 -7.370 -0.826 3.853 150 HG22 VAL 17 1HG2 VAL 17 -6.534 -0.391 5.365 151 HG23 VAL 17 2HG2 VAL 17 -5.665 -0.380 3.833 152 H GLU 18 HN GLU 18 -8.753 -1.215 5.989 153 HA GLU 18 HA GLU 18 -11.047 -2.832 5.108 154 HB2 GLU 18 2HB GLU 18 -10.803 0.016 6.222 155 HB3 GLU 18 3HB GLU 18 -12.334 -0.786 5.849 156 HG2 GLU 18 2HG GLU 18 -10.318 -1.554 7.974 157 HG3 GLU 18 3HG GLU 18 -11.996 -1.081 8.193 158 HA PRO 19 HA PRO 19 -11.259 -0.895 1.117 159 HB2 PRO 19 2HB PRO 19 -13.801 -1.307 0.356 160 HB3 PRO 19 3HB PRO 19 -12.700 -2.684 0.664 161 HG2 PRO 19 2HG PRO 19 -14.717 -1.466 2.583 162 HG3 PRO 19 3HG PRO 19 -14.554 -3.187 2.127 163 HD2 PRO 19 2HD PRO 19 -13.378 -2.099 4.360 164 HD3 PRO 19 3HD PRO 19 -12.621 -3.438 3.447 165 H SER 20 HN SER 20 -12.130 0.535 3.867 166 HA SER 20 HA SER 20 -13.028 3.057 2.596 167 HG SER 20 HG SER 20 -13.876 1.293 5.798 168 HB2 SER 20 2HB SER 20 -14.347 3.205 4.891 169 HB3 SER 20 3HB SER 20 -15.010 2.422 3.466 170 H ASP 21 HN ASP 21 -10.492 1.656 4.029 171 HA ASP 21 HA ASP 21 -9.742 3.444 6.161 172 HB2 ASP 21 2HB ASP 21 -8.689 1.108 4.742 173 HB3 ASP 21 3HB ASP 21 -7.451 2.336 4.875 174 H THR 22 HN THR 22 -7.516 4.777 5.722 175 HA THR 22 HA THR 22 -7.846 6.365 3.224 176 HB THR 22 HB THR 22 -6.555 8.123 4.505 177 HG1 THR 22 HG1 THR 22 -7.032 7.627 6.915 178 HG21 THR 22 3HG2 THR 22 -9.016 8.259 4.237 179 HG22 THR 22 1HG2 THR 22 -9.220 7.297 5.715 180 HG23 THR 22 2HG2 THR 22 -8.495 8.907 5.800 181 H ILE 23 HN ILE 23 -5.714 7.201 2.390 182 HA ILE 23 HA ILE 23 -4.005 4.972 1.849 183 HB ILE 23 HB ILE 23 -3.628 7.933 1.457 184 HG12 ILE 23 2HG1 ILE 23 -5.604 7.439 0.288 185 HG13 ILE 23 3HG1 ILE 23 -4.336 7.509 -0.910 186 HG21 ILE 23 1HG2 ILE 23 -1.477 7.024 1.230 187 HG22 ILE 23 2HG2 ILE 23 -2.070 5.660 0.273 188 HG23 ILE 23 3HG2 ILE 23 -2.064 7.326 -0.403 189 HD11 ILE 23 3HD1 ILE 23 -4.339 4.799 -0.247 190 HD12 ILE 23 1HD1 ILE 23 -6.040 5.224 -0.085 191 HD13 ILE 23 2HD1 ILE 23 -5.123 5.489 -1.615 192 H GLU 24 HN GLU 24 -3.807 7.696 4.089 193 HA GLU 24 HA GLU 24 -1.151 7.435 4.992 194 HB2 GLU 24 2HB GLU 24 -3.185 9.131 5.517 195 HB3 GLU 24 3HB GLU 24 -3.368 8.103 6.930 196 HG2 GLU 24 2HG GLU 24 -0.929 9.688 6.057 197 HG3 GLU 24 3HG GLU 24 -1.942 10.009 7.447 198 H ASN 25 HN ASN 25 -4.182 5.970 6.276 199 HA ASN 25 HA ASN 25 -2.971 4.321 8.183 200 HB2 ASN 25 2HB ASN 25 -5.525 3.862 6.584 201 HB3 ASN 25 3HB ASN 25 -5.043 2.968 8.013 202 HD21 ASN 25 1HD2 ASN 25 -7.382 3.944 8.348 203 HD22 ASN 25 2HD2 ASN 25 -7.356 5.402 9.364 204 H VAL 26 HN VAL 26 -3.631 3.640 4.705 205 HA VAL 26 HA VAL 26 -2.923 0.864 4.954 206 HB VAL 26 HB VAL 26 -2.554 2.374 2.361 207 HG11 VAL 26 1HG1 VAL 26 -3.344 0.179 1.414 208 HG12 VAL 26 2HG1 VAL 26 -1.885 0.020 2.365 209 HG13 VAL 26 3HG1 VAL 26 -3.424 -0.476 3.067 210 HG21 VAL 26 3HG2 VAL 26 -5.142 1.803 3.748 211 HG22 VAL 26 1HG2 VAL 26 -4.670 3.072 2.603 212 HG23 VAL 26 2HG2 VAL 26 -5.047 1.474 2.002 213 H LYS 27 HN LYS 27 -0.969 3.777 3.962 214 HA LYS 27 HA LYS 27 1.466 2.236 3.674 215 HB2 LYS 27 2HB LYS 27 2.697 4.238 3.779 216 HB3 LYS 27 3HB LYS 27 1.319 4.507 2.731 217 HG2 LYS 27 2HG LYS 27 0.262 5.935 4.279 218 HG3 LYS 27 3HG LYS 27 1.309 5.427 5.621 219 HD2 LYS 27 2HD LYS 27 1.903 7.629 4.906 220 HD3 LYS 27 3HD LYS 27 3.232 6.489 4.632 221 HE2 LYS 27 2HE LYS 27 2.594 6.323 2.252 222 HE3 LYS 27 3HE LYS 27 1.232 7.440 2.520 223 HZ1 LYS 27 3HZ LYS 27 4.086 8.090 2.980 224 HZ2 LYS 27 1HZ LYS 27 3.270 8.486 1.618 225 HZ3 LYS 27 2HZ LYS 27 2.834 9.138 3.074 226 H ALA 28 HN ALA 28 -0.000 3.813 6.475 227 HA ALA 28 HA ALA 28 2.162 3.263 8.142 228 HB1 ALA 28 1HB ALA 28 0.565 3.663 9.913 229 HB2 ALA 28 2HB ALA 28 0.321 4.838 8.617 230 HB3 ALA 28 3HB ALA 28 -0.802 3.463 8.809 231 H LYS 29 HN LYS 29 -0.433 1.156 7.045 232 HA LYS 29 HA LYS 29 -0.103 -0.848 9.092 233 HB2 LYS 29 2HB LYS 29 -1.907 -0.340 6.973 234 HB3 LYS 29 3HB LYS 29 -1.076 -1.807 6.446 235 HG2 LYS 29 2HG LYS 29 -1.581 -2.935 8.526 236 HG3 LYS 29 3HG LYS 29 -2.184 -1.448 9.271 237 HD2 LYS 29 2HD LYS 29 -3.432 -2.562 6.753 238 HD3 LYS 29 3HD LYS 29 -3.918 -3.055 8.368 239 HE2 LYS 29 2HE LYS 29 -3.854 -0.122 7.547 240 HE3 LYS 29 3HE LYS 29 -5.276 -1.149 7.313 241 HZ1 LYS 29 3HZ LYS 29 -5.453 0.075 9.355 242 HZ2 LYS 29 1HZ LYS 29 -5.382 -1.516 9.660 243 HZ3 LYS 29 2HZ LYS 29 -4.065 -0.564 9.962 244 H ILE 30 HN ILE 30 1.337 -0.284 5.908 245 HA ILE 30 HA ILE 30 2.729 -2.841 6.060 246 HB ILE 30 HB ILE 30 3.940 -1.254 4.073 247 HG12 ILE 30 2HG1 ILE 30 1.864 0.224 4.122 248 HG13 ILE 30 3HG1 ILE 30 2.398 -0.434 2.608 249 HG21 ILE 30 1HG2 ILE 30 3.770 -3.558 3.981 250 HG22 ILE 30 2HG2 ILE 30 2.001 -3.541 4.045 251 HG23 ILE 30 3HG2 ILE 30 2.860 -2.942 2.616 252 HD11 ILE 30 3HD1 ILE 30 0.020 -0.584 2.736 253 HD12 ILE 30 1HD1 ILE 30 0.667 -2.198 2.665 254 HD13 ILE 30 2HD1 ILE 30 0.084 -1.548 4.215 255 H GLN 31 HN GLN 31 3.607 0.592 6.501 256 HA GLN 31 HA GLN 31 6.236 0.636 7.104 257 HB2 GLN 31 2HB GLN 31 4.835 2.582 7.319 258 HB3 GLN 31 3HB GLN 31 3.819 1.771 8.487 259 HG2 GLN 31 2HG GLN 31 5.851 1.834 10.095 260 HG3 GLN 31 3HG GLN 31 6.510 3.008 8.953 261 HE21 GLN 31 1HE2 GLN 31 6.395 4.243 11.143 262 HE22 GLN 31 2HE2 GLN 31 4.993 5.256 11.308 263 H ASP 32 HN ASP 32 3.714 -0.213 9.376 264 HA ASP 32 HA ASP 32 5.240 -0.991 11.628 265 HB2 ASP 32 2HB ASP 32 3.035 -0.007 11.657 266 HB3 ASP 32 3HB ASP 32 2.367 -1.299 10.680 267 H LYS 33 HN LYS 33 4.576 -2.830 8.812 268 HA LYS 33 HA LYS 33 4.533 -5.433 10.321 269 HB2 LYS 33 2HB LYS 33 2.385 -4.760 9.329 270 HB3 LYS 33 3HB LYS 33 3.176 -4.581 7.756 271 HG2 LYS 33 2HG LYS 33 3.726 -7.073 7.886 272 HG3 LYS 33 3HG LYS 33 2.671 -7.168 9.302 273 HD2 LYS 33 2HD LYS 33 1.622 -5.844 6.789 274 HD3 LYS 33 3HD LYS 33 1.865 -7.578 6.749 275 HE2 LYS 33 2HE LYS 33 0.171 -6.196 8.863 276 HE3 LYS 33 3HE LYS 33 -0.462 -6.759 7.303 277 HZ1 LYS 33 3HZ LYS 33 0.706 -8.440 9.411 278 HZ2 LYS 33 1HZ LYS 33 -0.827 -8.367 8.989 279 HZ3 LYS 33 2HZ LYS 33 0.210 -9.011 7.910 280 H GLU 34 HN GLU 34 5.877 -3.721 7.506 281 HA GLU 34 HA GLU 34 7.611 -6.082 6.916 282 HB2 GLU 34 2HB GLU 34 6.117 -5.254 5.073 283 HB3 GLU 34 3HB GLU 34 6.849 -3.672 5.203 284 HG2 GLU 34 2HG GLU 34 7.748 -4.819 3.317 285 HG3 GLU 34 3HG GLU 34 9.031 -4.615 4.467 286 H GLY 35 HN GLY 35 8.302 -5.061 9.141 287 HA2 GLY 35 1HA GLY 35 8.508 -2.823 10.073 288 HA3 GLY 35 2HA GLY 35 9.948 -3.795 10.311 289 H ILE 36 HN ILE 36 8.639 -0.932 8.970 290 HA ILE 36 HA ILE 36 11.249 0.054 8.069 291 HB ILE 36 HB ILE 36 10.489 -1.148 6.154 292 HG12 ILE 36 2HG1 ILE 36 10.001 1.815 5.739 293 HG13 ILE 36 3HG1 ILE 36 11.547 0.964 5.651 294 HG21 ILE 36 1HG2 ILE 36 8.445 -1.153 5.149 295 HG22 ILE 36 2HG2 ILE 36 7.959 -1.123 6.819 296 HG23 ILE 36 3HG2 ILE 36 7.932 0.396 5.896 297 HD11 ILE 36 3HD1 ILE 36 10.656 -0.375 3.745 298 HD12 ILE 36 1HD1 ILE 36 9.171 0.599 3.770 299 HD13 ILE 36 2HD1 ILE 36 10.717 1.371 3.418 300 HA PRO 37 HA PRO 37 9.069 3.479 9.872 301 HB2 PRO 37 2HB PRO 37 10.778 5.573 9.325 302 HB3 PRO 37 3HB PRO 37 11.159 4.283 10.506 303 HG2 PRO 37 2HG PRO 37 12.009 4.490 7.602 304 HG3 PRO 37 3HG PRO 37 13.038 4.161 9.038 305 HD2 PRO 37 2HD PRO 37 12.088 2.159 7.459 306 HD3 PRO 37 3HD PRO 37 12.215 1.960 9.227 307 HA PRO 38 HA PRO 38 6.442 4.786 6.869 308 HB2 PRO 38 2HB PRO 38 5.582 7.322 7.533 309 HB3 PRO 38 3HB PRO 38 5.196 5.862 8.478 310 HG2 PRO 38 2HG PRO 38 7.321 7.944 9.009 311 HG3 PRO 38 3HG PRO 38 6.235 7.137 10.177 312 HD2 PRO 38 2HD PRO 38 8.847 6.402 9.730 313 HD3 PRO 38 3HD PRO 38 7.625 5.234 10.245 314 H ASP 39 HN ASP 39 8.777 7.375 7.436 315 HA ASP 39 HA ASP 39 8.390 8.884 5.100 316 HB2 ASP 39 2HB ASP 39 9.539 9.455 7.344 317 HB3 ASP 39 3HB ASP 39 10.987 8.703 6.671 318 H GLN 40 HN GLN 40 9.510 5.797 5.137 319 HA GLN 40 HA GLN 40 11.370 6.136 2.851 320 HB2 GLN 40 2HB GLN 40 12.347 5.445 5.044 321 HB3 GLN 40 3HB GLN 40 11.322 4.009 5.041 322 HG2 GLN 40 2HG GLN 40 13.708 3.634 4.375 323 HG3 GLN 40 3HG GLN 40 12.539 3.053 3.208 324 HE21 GLN 40 1HE2 GLN 40 12.364 4.099 1.200 325 HE22 GLN 40 2HE2 GLN 40 13.678 5.116 0.568 326 H GLN 41 HN GLN 41 8.195 5.313 3.388 327 HA GLN 41 HA GLN 41 8.221 3.095 1.394 328 HB2 GLN 41 2HB GLN 41 7.877 2.454 3.835 329 HB3 GLN 41 3HB GLN 41 6.381 3.387 3.808 330 HG2 GLN 41 2HG GLN 41 5.530 1.971 1.953 331 HG3 GLN 41 3HG GLN 41 7.055 1.077 1.940 332 HE21 GLN 41 1HE2 GLN 41 7.202 -0.735 3.290 333 HE22 GLN 41 2HE2 GLN 41 6.106 -1.023 4.626 334 H ARG 42 HN ARG 42 7.402 4.010 -0.460 335 HA ARG 42 HA ARG 42 5.029 5.814 -0.339 336 HE ARG 42 HE ARG 42 8.043 8.980 -3.010 337 HB2 ARG 42 2HB ARG 42 6.850 4.806 -2.551 338 HB3 ARG 42 3HB ARG 42 5.215 5.332 -2.940 339 HG2 ARG 42 2HG ARG 42 5.623 7.551 -1.997 340 HG3 ARG 42 3HG ARG 42 7.266 7.083 -1.531 341 HD2 ARG 42 2HD ARG 42 7.827 6.674 -3.910 342 HD3 ARG 42 3HD ARG 42 6.172 7.088 -4.379 343 HH11 ARG 42 2HH2 ARG 42 5.767 8.403 -5.743 344 HH12 ARG 42 1HH2 ARG 42 6.026 9.979 -6.410 345 HH21 ARG 42 2HH1 ARG 42 8.216 11.151 -3.946 346 HH22 ARG 42 1HH1 ARG 42 7.401 11.515 -5.404 347 H LEU 43 HN LEU 43 3.041 5.041 -0.539 348 HA LEU 43 HA LEU 43 2.320 2.240 -1.144 349 HG LEU 43 HG LEU 43 -0.170 3.595 1.350 350 HB2 LEU 43 2HB LEU 43 1.106 4.745 -0.007 351 HB3 LEU 43 3HB LEU 43 0.113 4.070 -1.228 352 HD11 LEU 43 1HD1 LEU 43 -0.988 2.070 -1.072 353 HD12 LEU 43 2HD1 LEU 43 -1.394 1.449 0.542 354 HD13 LEU 43 3HD1 LEU 43 -1.893 3.076 0.060 355 HD21 LEU 43 3HD2 LEU 43 0.574 1.403 1.995 356 HD22 LEU 43 1HD2 LEU 43 1.517 1.186 0.543 357 HD23 LEU 43 2HD2 LEU 43 1.976 2.459 1.641 358 H ILE 44 HN ILE 44 1.108 1.854 -3.240 359 HA ILE 44 HA ILE 44 0.529 4.107 -4.912 360 HB ILE 44 HB ILE 44 3.056 3.333 -5.318 361 HG12 ILE 44 2HG1 ILE 44 2.556 3.664 -7.935 362 HG13 ILE 44 3HG1 ILE 44 0.977 4.173 -7.326 363 HG21 ILE 44 1HG2 ILE 44 2.465 0.938 -5.627 364 HG22 ILE 44 2HG2 ILE 44 1.624 1.390 -7.127 365 HG23 ILE 44 3HG2 ILE 44 3.374 1.653 -6.960 366 HD11 ILE 44 3HD1 ILE 44 2.135 5.844 -5.852 367 HD12 ILE 44 1HD1 ILE 44 3.705 5.287 -6.466 368 HD13 ILE 44 2HD1 ILE 44 2.562 6.072 -7.564 369 H PHE 45 HN PHE 45 -1.417 3.548 -5.949 370 HA PHE 45 HA PHE 45 -2.220 0.670 -5.768 371 HD1 PHE 45 HD2 PHE 45 -3.040 3.119 -3.264 372 HD2 PHE 45 HD1 PHE 45 -5.138 -0.017 -5.225 373 HE1 PHE 45 HE2 PHE 45 -3.516 2.062 -1.037 374 HE2 PHE 45 HE1 PHE 45 -5.448 -1.186 -3.071 375 HZ PHE 45 HZ PHE 45 -4.621 -0.149 -0.970 376 HB2 PHE 45 2HB PHE 45 -3.768 3.239 -5.785 377 HB3 PHE 45 3HB PHE 45 -4.488 1.802 -6.454 378 H ALA 46 HN ALA 46 -3.034 3.264 -8.074 379 HA ALA 46 HA ALA 46 -2.756 1.300 -10.271 380 HB1 ALA 46 1HB ALA 46 -4.601 3.698 -9.864 381 HB2 ALA 46 2HB ALA 46 -4.578 2.645 -11.284 382 HB3 ALA 46 3HB ALA 46 -5.044 1.981 -9.709 383 H GLY 47 HN GLY 47 -0.338 2.292 -9.845 384 HA2 GLY 47 1HA GLY 47 1.400 3.552 -10.734 385 HA3 GLY 47 2HA GLY 47 0.367 3.644 -12.162 386 H LYS 48 HN LYS 48 -0.404 5.138 -9.013 387 HA LYS 48 HA LYS 48 0.032 7.847 -10.104 388 HB2 LYS 48 2HB LYS 48 -2.259 8.469 -9.203 389 HB3 LYS 48 3HB LYS 48 -2.180 7.536 -10.675 390 HG2 LYS 48 2HG LYS 48 -3.906 6.476 -9.785 391 HG3 LYS 48 3HG LYS 48 -2.660 5.442 -9.175 392 HD2 LYS 48 2HD LYS 48 -4.317 5.799 -7.491 393 HD3 LYS 48 3HD LYS 48 -2.804 6.513 -7.004 394 HE2 LYS 48 2HE LYS 48 -4.647 8.049 -6.416 395 HE3 LYS 48 3HE LYS 48 -3.707 8.775 -7.719 396 HZ1 LYS 48 3HZ LYS 48 -6.037 8.984 -8.109 397 HZ2 LYS 48 1HZ LYS 48 -5.420 8.055 -9.293 398 HZ3 LYS 48 2HZ LYS 48 -6.310 7.358 -8.119 399 H GLN 49 HN GLN 49 0.562 9.398 -8.557 400 HA GLN 49 HA GLN 49 2.090 8.537 -6.388 401 HB2 GLN 49 2HB GLN 49 0.763 11.274 -6.773 402 HB3 GLN 49 3HB GLN 49 1.928 10.902 -5.523 403 HG2 GLN 49 2HG GLN 49 3.326 11.865 -6.994 404 HG3 GLN 49 3HG GLN 49 3.496 10.187 -7.508 405 HE21 GLN 49 1HE2 GLN 49 2.832 13.397 -8.609 406 HE22 GLN 49 2HE2 GLN 49 2.178 12.924 -10.155 407 H LEU 50 HN LEU 50 -1.308 9.169 -6.502 408 HA LEU 50 HA LEU 50 -2.782 7.839 -5.477 409 HG LEU 50 HG LEU 50 -3.139 6.912 -2.612 410 HB2 LEU 50 2HB LEU 50 -1.036 6.265 -4.721 411 HB3 LEU 50 3HB LEU 50 -0.767 7.286 -3.294 412 HD11 LEU 50 1HD1 LEU 50 -3.078 5.039 -4.999 413 HD12 LEU 50 2HD1 LEU 50 -4.324 4.957 -3.722 414 HD13 LEU 50 3HD1 LEU 50 -4.192 6.381 -4.728 415 HD21 LEU 50 3HD2 LEU 50 -2.613 4.653 -1.798 416 HD22 LEU 50 1HD2 LEU 50 -1.365 4.473 -3.071 417 HD23 LEU 50 2HD2 LEU 50 -1.180 5.681 -1.805 418 H GLU 51 HN GLU 51 -0.913 9.912 -3.451 419 HA GLU 51 HA GLU 51 -1.413 11.676 -2.151 420 HB2 GLU 51 2HB GLU 51 -3.746 11.775 -4.037 421 HB3 GLU 51 3HB GLU 51 -3.693 12.848 -2.653 422 HG2 GLU 51 2HG GLU 51 -1.200 12.613 -4.359 423 HG3 GLU 51 3HG GLU 51 -2.588 13.446 -5.045 424 H ASP 52 HN ASP 52 -1.642 11.477 -0.107 425 HA ASP 52 HA ASP 52 -3.560 9.859 1.334 426 HB2 ASP 52 2HB ASP 52 -2.402 10.770 3.277 427 HB3 ASP 52 3HB ASP 52 -1.254 10.063 2.136 428 H GLY 53 HN GLY 53 -5.022 10.968 -0.111 429 HA2 GLY 53 1HA GLY 53 -6.354 13.331 1.039 430 HA3 GLY 53 2HA GLY 53 -5.742 13.326 -0.618 431 H ARG 54 HN ARG 54 -6.823 10.176 0.495 432 HA ARG 54 HA ARG 54 -9.506 10.624 -0.577 433 HE ARG 54 HE ARG 54 -10.632 10.795 -4.958 434 HB2 ARG 54 2HB ARG 54 -7.381 10.001 -2.335 435 HB3 ARG 54 3HB ARG 54 -8.111 8.447 -1.923 436 HG2 ARG 54 2HG ARG 54 -8.937 9.349 -4.016 437 HG3 ARG 54 3HG ARG 54 -10.235 9.099 -2.833 438 HD2 ARG 54 2HD ARG 54 -10.345 11.451 -2.327 439 HD3 ARG 54 3HD ARG 54 -8.720 11.714 -2.994 440 HH11 ARG 54 2HH2 ARG 54 -8.703 13.526 -3.766 441 HH12 ARG 54 1HH2 ARG 54 -9.363 14.661 -4.892 442 HH21 ARG 54 2HH1 ARG 54 -11.271 12.196 -6.598 443 HH22 ARG 54 1HH1 ARG 54 -10.735 13.842 -6.645 444 H THR 55 HN THR 55 -10.372 8.220 -1.042 445 HA THR 55 HA THR 55 -10.003 6.779 1.547 446 HB THR 55 HB THR 55 -12.520 7.240 -0.169 447 HG1 THR 55 HG1 THR 55 -11.992 9.173 0.913 448 HG21 THR 55 3HG2 THR 55 -12.657 5.177 1.224 449 HG22 THR 55 1HG2 THR 55 -12.133 6.079 2.644 450 HG23 THR 55 2HG2 THR 55 -13.699 6.430 1.885 451 H LEU 56 HN LEU 56 -9.955 4.591 1.382 452 HA LEU 56 HA LEU 56 -9.166 3.021 -0.775 453 HG LEU 56 HG LEU 56 -8.729 1.633 2.573 454 HB2 LEU 56 2HB LEU 56 -10.611 2.583 1.792 455 HB3 LEU 56 3HB LEU 56 -10.471 1.262 0.654 456 HD11 LEU 56 1HD1 LEU 56 -8.825 -0.206 0.977 457 HD12 LEU 56 2HD1 LEU 56 -7.942 0.791 -0.217 458 HD13 LEU 56 3HD1 LEU 56 -7.164 0.293 1.300 459 HD21 LEU 56 3HD2 LEU 56 -7.964 3.959 1.517 460 HD22 LEU 56 1HD2 LEU 56 -6.887 2.860 2.281 461 HD23 LEU 56 2HD2 LEU 56 -6.981 2.896 0.498 462 H SER 57 HN SER 57 -12.476 3.742 0.269 463 HA SER 57 HA SER 57 -13.984 2.187 -1.423 464 HG SER 57 HG SER 57 -16.212 4.794 -1.592 465 HB2 SER 57 2HB SER 57 -14.817 3.498 0.473 466 HB3 SER 57 3HB SER 57 -14.473 5.022 -0.369 467 H ASP 58 HN ASP 58 -12.178 5.131 -2.277 468 HA ASP 58 HA ASP 58 -13.728 5.556 -4.735 469 HB2 ASP 58 2HB ASP 58 -12.627 7.306 -3.112 470 HB3 ASP 58 3HB ASP 58 -11.144 6.963 -4.014 471 H TYR 59 HN TYR 59 -10.496 4.520 -3.692 472 HA TYR 59 HA TYR 59 -9.398 4.013 -6.246 473 HD1 TYR 59 HD1 TYR 59 -7.564 5.238 -6.106 474 HD2 TYR 59 HD2 TYR 59 -8.303 4.326 -1.984 475 HE1 TYR 59 HE1 TYR 59 -6.442 7.343 -5.458 476 HE2 TYR 59 HE2 TYR 59 -7.345 6.474 -1.345 477 HH TYR 59 HH TYR 59 -5.283 8.448 -3.481 478 HB2 TYR 59 2HB TYR 59 -8.767 2.683 -3.616 479 HB3 TYR 59 3HB TYR 59 -7.735 2.684 -5.044 480 H ASN 60 HN ASN 60 -10.773 1.899 -3.876 481 HA ASN 60 HA ASN 60 -11.710 0.024 -3.673 482 HB2 ASN 60 2HB ASN 60 -13.490 1.306 -4.775 483 HB3 ASN 60 3HB ASN 60 -13.052 0.562 -6.314 484 HD21 ASN 60 1HD2 ASN 60 -15.110 -0.577 -6.523 485 HD22 ASN 60 2HD2 ASN 60 -15.540 -1.866 -5.435 486 H ILE 61 HN ILE 61 -11.459 -2.051 -3.731 487 HA ILE 61 HA ILE 61 -9.914 -3.400 -5.781 488 HB ILE 61 HB ILE 61 -8.031 -3.583 -4.272 489 HG12 ILE 61 2HG1 ILE 61 -8.826 -3.047 -2.078 490 HG13 ILE 61 3HG1 ILE 61 -7.505 -1.992 -2.519 491 HG21 ILE 61 1HG2 ILE 61 -8.427 -0.691 -5.070 492 HG22 ILE 61 2HG2 ILE 61 -6.900 -1.495 -4.835 493 HG23 ILE 61 3HG2 ILE 61 -7.959 -2.013 -6.148 494 HD11 ILE 61 3HD1 ILE 61 -9.134 -0.121 -2.930 495 HD12 ILE 61 1HD1 ILE 61 -10.419 -1.194 -2.276 496 HD13 ILE 61 2HD1 ILE 61 -9.077 -0.742 -1.274 497 H GLN 62 HN GLN 62 -9.442 -5.508 -5.186 498 HA GLN 62 HA GLN 62 -10.274 -6.697 -2.631 499 HB2 GLN 62 2HB GLN 62 -11.972 -8.069 -3.981 500 HB3 GLN 62 3HB GLN 62 -12.427 -6.451 -3.479 501 HG2 GLN 62 2HG GLN 62 -12.159 -5.534 -5.671 502 HG3 GLN 62 3HG GLN 62 -11.358 -6.983 -6.277 503 HE21 GLN 62 1HE2 GLN 62 -13.365 -5.965 -7.668 504 HE22 GLN 62 2HE2 GLN 62 -14.663 -7.124 -7.693 505 H LYS 63 HN LYS 63 -8.244 -7.662 -2.568 506 HA LYS 63 HA LYS 63 -6.572 -9.093 -2.911 507 HB2 LYS 63 2HB LYS 63 -8.440 -10.698 -2.935 508 HB3 LYS 63 3HB LYS 63 -8.514 -10.608 -4.697 509 HG2 LYS 63 2HG LYS 63 -6.381 -11.622 -4.978 510 HG3 LYS 63 3HG LYS 63 -5.978 -11.402 -3.269 511 HD2 LYS 63 2HD LYS 63 -6.507 -13.756 -3.818 512 HD3 LYS 63 3HD LYS 63 -7.510 -13.073 -2.566 513 HE2 LYS 63 2HE LYS 63 -8.953 -14.379 -3.906 514 HE3 LYS 63 3HE LYS 63 -9.336 -12.706 -4.300 515 HZ1 LYS 63 3HZ LYS 63 -9.140 -14.192 -6.255 516 HZ2 LYS 63 1HZ LYS 63 -8.058 -12.951 -6.340 517 HZ3 LYS 63 2HZ LYS 63 -7.571 -14.457 -5.911 518 H GLU 64 HN GLU 64 -8.032 -8.246 -6.070 519 HA GLU 64 HA GLU 64 -5.853 -8.443 -7.766 520 HB2 GLU 64 2HB GLU 64 -8.014 -7.682 -8.540 521 HB3 GLU 64 3HB GLU 64 -7.956 -6.275 -7.460 522 HG2 GLU 64 2HG GLU 64 -6.113 -5.289 -8.710 523 HG3 GLU 64 3HG GLU 64 -5.914 -6.758 -9.666 524 H SER 65 HN SER 65 -6.647 -5.912 -5.481 525 HA SER 65 HA SER 65 -5.327 -3.808 -6.071 526 HG SER 65 HG SER 65 -4.978 -3.432 -2.241 527 HB2 SER 65 2HB SER 65 -6.039 -3.193 -4.123 528 HB3 SER 65 3HB SER 65 -6.286 -4.864 -3.604 529 H THR 66 HN THR 66 -3.612 -6.143 -4.125 530 HA THR 66 HA THR 66 -1.549 -6.504 -3.556 531 HB THR 66 HB THR 66 -1.824 -7.674 -5.696 532 HG1 THR 66 HG1 THR 66 0.641 -6.851 -4.733 533 HG21 THR 66 3HG2 THR 66 -1.767 -5.919 -7.375 534 HG22 THR 66 1HG2 THR 66 -0.154 -5.402 -6.856 535 HG23 THR 66 2HG2 THR 66 -0.395 -6.979 -7.623 536 H LEU 67 HN LEU 67 -2.104 -3.407 -4.360 537 HA LEU 67 HA LEU 67 -0.739 -1.469 -4.432 538 HG LEU 67 HG LEU 67 -1.092 -0.328 -0.882 539 HB2 LEU 67 2HB LEU 67 -2.017 -1.217 -2.639 540 HB3 LEU 67 3HB LEU 67 -1.436 -2.641 -1.831 541 HD11 LEU 67 1HD1 LEU 67 0.876 -0.945 0.406 542 HD12 LEU 67 2HD1 LEU 67 -0.370 -2.191 0.319 543 HD13 LEU 67 3HD1 LEU 67 1.114 -2.358 -0.612 544 HD21 LEU 67 3HD2 LEU 67 -0.123 0.676 -2.772 545 HD22 LEU 67 1HD2 LEU 67 0.871 0.841 -1.351 546 HD23 LEU 67 2HD2 LEU 67 1.407 -0.257 -2.586 547 H HIS 68 HN HIS 68 1.083 -1.559 -5.602 548 HA HIS 68 HA HIS 68 2.950 -3.556 -5.082 549 HD1 HIS 68 HD1 HIS 68 0.770 -3.035 -7.360 550 HD2 HIS 68 HD2 HIS 68 3.477 -0.008 -8.486 551 HE1 HIS 68 HE1 HIS 68 -0.323 -1.727 -9.251 552 HB2 HIS 68 2HB HIS 68 4.142 -1.220 -6.425 553 HB3 HIS 68 3HB HIS 68 4.054 -2.883 -6.951 554 H LEU 69 HN LEU 69 3.335 -0.080 -4.537 555 HA LEU 69 HA LEU 69 4.402 1.093 -3.044 556 HG LEU 69 HG LEU 69 5.900 0.120 -0.325 557 HB2 LEU 69 2HB LEU 69 3.603 0.549 -1.121 558 HB3 LEU 69 3HB LEU 69 3.426 -1.118 -1.554 559 HD11 LEU 69 1HD1 LEU 69 5.149 -1.258 1.649 560 HD12 LEU 69 2HD1 LEU 69 4.091 0.104 1.245 561 HD13 LEU 69 3HD1 LEU 69 3.630 -1.558 0.801 562 HD21 LEU 69 3HD2 LEU 69 6.546 -1.856 -1.660 563 HD22 LEU 69 1HD2 LEU 69 6.558 -2.225 0.046 564 HD23 LEU 69 2HD2 LEU 69 5.204 -2.753 -0.978 565 H VAL 70 HN VAL 70 6.501 1.752 -2.199 566 HA VAL 70 HA VAL 70 8.764 0.367 -3.505 567 HB VAL 70 HB VAL 70 7.795 3.155 -4.313 568 HG11 VAL 70 1HG1 VAL 70 10.257 2.990 -4.345 569 HG12 VAL 70 2HG1 VAL 70 10.161 1.517 -5.331 570 HG13 VAL 70 3HG1 VAL 70 9.621 3.077 -5.987 571 HG21 VAL 70 3HG2 VAL 70 7.549 2.196 -6.611 572 HG22 VAL 70 1HG2 VAL 70 7.799 0.577 -5.932 573 HG23 VAL 70 2HG2 VAL 70 6.380 1.550 -5.459 574 H LEU 71 HN LEU 71 10.662 0.817 -2.460 575 HA LEU 71 HA LEU 71 10.668 2.707 -0.210 576 HG LEU 71 HG LEU 71 10.826 0.552 1.011 577 HB2 LEU 71 2HB LEU 71 12.862 0.824 -1.220 578 HB3 LEU 71 3HB LEU 71 12.955 1.891 0.166 579 HD11 LEU 71 1HD1 LEU 71 10.996 -1.870 0.379 580 HD12 LEU 71 2HD1 LEU 71 10.528 -0.885 -0.999 581 HD13 LEU 71 3HD1 LEU 71 12.197 -1.462 -0.854 582 HD21 LEU 71 3HD2 LEU 71 13.659 -0.580 1.065 583 HD22 LEU 71 1HD2 LEU 71 12.964 0.624 2.189 584 HD23 LEU 71 2HD2 LEU 71 12.349 -1.025 2.172 585 H ARG 72 HN ARG 72 10.582 4.734 -1.249 586 HA ARG 72 HA ARG 72 11.060 6.356 -2.818 587 HE ARG 72 HE ARG 72 13.601 10.985 -0.855 588 HB2 ARG 72 2HB ARG 72 12.098 6.802 -0.555 589 HB3 ARG 72 3HB ARG 72 13.646 6.300 -1.240 590 HG2 ARG 72 2HG ARG 72 13.131 8.098 -3.105 591 HG3 ARG 72 3HG ARG 72 11.899 8.674 -1.984 592 HD2 ARG 72 2HD ARG 72 13.762 8.855 -0.239 593 HD3 ARG 72 3HD ARG 72 14.916 8.553 -1.544 594 HH11 ARG 72 2HH2 ARG 72 14.966 9.389 -3.784 595 HH12 ARG 72 1HH2 ARG 72 14.649 10.800 -4.757 596 HH21 ARG 72 2HH1 ARG 72 13.791 12.924 -2.143 597 HH22 ARG 72 1HH1 ARG 72 14.213 12.767 -3.818 598 H LEU 73 HN LEU 73 11.152 5.049 -4.764 599 HA LEU 73 HA LEU 73 11.975 4.415 -6.761 600 HG LEU 73 HG LEU 73 11.589 6.881 -6.933 601 HB2 LEU 73 2HB LEU 73 14.065 6.466 -6.040 602 HB3 LEU 73 3HB LEU 73 14.228 5.510 -7.504 603 HD11 LEU 73 1HD1 LEU 73 12.359 8.900 -8.143 604 HD12 LEU 73 2HD1 LEU 73 13.268 8.668 -6.632 605 HD13 LEU 73 3HD1 LEU 73 13.994 8.231 -8.195 606 HD21 LEU 73 3HD2 LEU 73 11.462 6.957 -9.379 607 HD22 LEU 73 1HD2 LEU 73 13.116 6.333 -9.510 608 HD23 LEU 73 2HD2 LEU 73 11.831 5.301 -8.858 609 H ARG 74 HN ARG 74 12.291 2.310 -6.812 610 HA ARG 74 HA ARG 74 14.877 1.217 -5.930 611 HE ARG 74 HE ARG 74 14.911 -3.476 -4.274 612 HB2 ARG 74 2HB ARG 74 13.144 1.199 -4.014 613 HB3 ARG 74 3HB ARG 74 12.267 -0.007 -4.929 614 HG2 ARG 74 2HG ARG 74 14.999 -0.832 -4.927 615 HG3 ARG 74 3HG ARG 74 14.697 -0.203 -3.312 616 HD2 ARG 74 2HD ARG 74 12.884 -1.805 -2.973 617 HD3 ARG 74 3HD ARG 74 12.990 -2.329 -4.666 618 HH11 ARG 74 2HH2 ARG 74 13.812 -2.338 -1.126 619 HH12 ARG 74 1HH2 ARG 74 15.408 -2.410 -0.398 620 HH21 ARG 74 2HH1 ARG 74 17.120 -3.263 -3.264 621 HH22 ARG 74 1HH1 ARG 74 17.148 -3.183 -1.534 622 H GLY 75 HN GLY 75 14.933 1.242 -8.380 623 HA2 GLY 75 1HA GLY 75 14.326 -1.423 -9.400 624 HA3 GLY 75 2HA GLY 75 13.321 -0.129 -10.077 625 H GLY 76 HN GLY 76 14.400 -0.836 -12.090 626 HA2 GLY 76 1HA GLY 76 16.336 1.189 -12.786 627 HA3 GLY 76 2HA GLY 76 16.803 -0.482 -13.183 Start of MODEL 19 1 HA MET 1 HA MET 1 -10.240 -8.443 3.576 2 H1 MET 1 HN MET 1 -10.047 -5.565 4.199 3 HB2 MET 1 2HB MET 1 -9.775 -7.847 1.241 4 HB3 MET 1 3HB MET 1 -11.287 -7.169 1.821 5 HG2 MET 1 2HG MET 1 -8.766 -5.490 1.911 6 HG3 MET 1 3HG MET 1 -9.632 -5.707 0.399 7 HE1 MET 1 3HE MET 1 -9.215 -2.719 1.820 8 HE2 MET 1 1HE MET 1 -9.664 -3.303 0.194 9 HE3 MET 1 2HE MET 1 -10.719 -2.176 1.051 10 H GLN 2 HN GLN 2 -8.222 -9.095 2.090 11 HA GLN 2 HA GLN 2 -5.818 -7.716 3.126 12 HB2 GLN 2 2HB GLN 2 -6.055 -10.602 2.211 13 HB3 GLN 2 3HB GLN 2 -4.544 -9.721 2.402 14 HG2 GLN 2 2HG GLN 2 -4.757 -10.928 4.397 15 HG3 GLN 2 3HG GLN 2 -5.181 -9.279 4.829 16 HE21 GLN 2 1HE2 GLN 2 -7.323 -8.973 5.792 17 HE22 GLN 2 2HE2 GLN 2 -8.428 -10.283 5.991 18 H ILE 3 HN ILE 3 -4.398 -7.067 1.539 19 HA ILE 3 HA ILE 3 -5.059 -7.621 -1.267 20 HB ILE 3 HB ILE 3 -4.205 -5.390 -1.926 21 HG12 ILE 3 2HG1 ILE 3 -4.602 -3.521 -0.138 22 HG13 ILE 3 3HG1 ILE 3 -4.256 -4.781 1.038 23 HG21 ILE 3 1HG2 ILE 3 -6.273 -4.210 -1.503 24 HG22 ILE 3 2HG2 ILE 3 -6.633 -5.917 -1.728 25 HG23 ILE 3 3HG2 ILE 3 -6.623 -5.235 -0.092 26 HD11 ILE 3 3HD1 ILE 3 -2.286 -3.458 0.554 27 HD12 ILE 3 1HD1 ILE 3 -2.037 -5.096 -0.067 28 HD13 ILE 3 2HD1 ILE 3 -2.458 -3.762 -1.177 29 H PHE 4 HN PHE 4 -2.999 -7.098 -2.541 30 HA PHE 4 HA PHE 4 -0.688 -8.428 -1.232 31 HD1 PHE 4 HD2 PHE 4 -0.789 -10.531 -1.610 32 HD2 PHE 4 HD1 PHE 4 -2.517 -9.322 -5.388 33 HE1 PHE 4 HE2 PHE 4 -1.875 -12.742 -1.815 34 HE2 PHE 4 HE1 PHE 4 -3.644 -11.531 -5.546 35 HZ PHE 4 HZ PHE 4 -3.350 -13.208 -3.732 36 HB2 PHE 4 2HB PHE 4 -1.480 -7.723 -4.083 37 HB3 PHE 4 3HB PHE 4 0.065 -8.408 -3.700 38 H VAL 5 HN VAL 5 1.440 -7.543 -1.643 39 HA VAL 5 HA VAL 5 1.490 -4.774 -2.578 40 HB VAL 5 HB VAL 5 2.041 -5.767 0.187 41 HG11 VAL 5 1HG1 VAL 5 4.354 -5.272 -0.513 42 HG12 VAL 5 2HG1 VAL 5 3.840 -3.742 -1.193 43 HG13 VAL 5 3HG1 VAL 5 3.780 -4.014 0.579 44 HG21 VAL 5 3HG2 VAL 5 1.568 -3.003 -0.923 45 HG22 VAL 5 1HG2 VAL 5 0.246 -4.084 -0.406 46 HG23 VAL 5 2HG2 VAL 5 1.409 -3.493 0.775 47 H LYS 6 HN LYS 6 3.218 -4.333 -3.790 48 HA LYS 6 HA LYS 6 5.273 -6.471 -4.190 49 HB2 LYS 6 2HB LYS 6 4.582 -4.198 -6.092 50 HB3 LYS 6 3HB LYS 6 5.815 -5.433 -6.316 51 HG2 LYS 6 2HG LYS 6 4.055 -7.175 -6.299 52 HG3 LYS 6 3HG LYS 6 2.810 -5.905 -6.169 53 HD2 LYS 6 2HD LYS 6 3.806 -4.951 -8.351 54 HD3 LYS 6 3HD LYS 6 4.727 -6.467 -8.470 55 HE2 LYS 6 2HE LYS 6 2.476 -7.689 -8.247 56 HE3 LYS 6 3HE LYS 6 1.698 -6.109 -8.375 57 HZ1 LYS 6 3HZ LYS 6 1.688 -6.979 -10.497 58 HZ2 LYS 6 1HZ LYS 6 2.925 -5.912 -10.563 59 HZ3 LYS 6 2HZ LYS 6 3.224 -7.525 -10.482 60 H THR 7 HN THR 7 6.787 -6.011 -2.652 61 HA THR 7 HA THR 7 8.307 -3.545 -3.116 62 HB THR 7 HB THR 7 6.557 -3.036 -1.409 63 HG1 THR 7 HG1 THR 7 9.253 -3.027 -0.622 64 HG21 THR 7 3HG2 THR 7 6.557 -3.852 0.800 65 HG22 THR 7 1HG2 THR 7 6.523 -5.290 -0.233 66 HG23 THR 7 2HG2 THR 7 8.027 -4.811 0.552 67 H LEU 8 HN LEU 8 8.854 -6.340 -3.686 68 HA LEU 8 HA LEU 8 11.384 -6.775 -2.576 69 HG LEU 8 HG LEU 8 8.922 -9.518 -1.791 70 HB2 LEU 8 2HB LEU 8 11.173 -8.520 -0.997 71 HB3 LEU 8 3HB LEU 8 10.282 -7.181 -0.375 72 HD11 LEU 8 1HD1 LEU 8 9.484 -9.183 1.181 73 HD12 LEU 8 2HD1 LEU 8 8.514 -10.474 0.432 74 HD13 LEU 8 3HD1 LEU 8 10.248 -10.371 0.108 75 HD21 LEU 8 3HD2 LEU 8 7.457 -7.568 -1.556 76 HD22 LEU 8 1HD2 LEU 8 6.970 -8.795 -0.390 77 HD23 LEU 8 2HD2 LEU 8 7.914 -7.402 0.161 78 H THR 9 HN THR 9 8.813 -7.788 -4.560 79 HA THR 9 HA THR 9 8.301 -9.758 -5.603 80 HB THR 9 HB THR 9 10.602 -8.317 -6.925 81 HG1 THR 9 HG1 THR 9 8.828 -7.188 -7.785 82 HG21 THR 9 3HG2 THR 9 9.511 -9.049 -9.076 83 HG22 THR 9 1HG2 THR 9 10.284 -10.378 -8.215 84 HG23 THR 9 2HG2 THR 9 8.521 -10.202 -8.154 85 H GLY 10 HN GLY 10 8.550 -11.387 -4.209 86 HA2 GLY 10 1HA GLY 10 10.382 -13.494 -4.850 87 HA3 GLY 10 2HA GLY 10 10.752 -12.753 -3.276 88 H LYS 11 HN LYS 11 8.531 -12.181 -2.025 89 HA LYS 11 HA LYS 11 6.403 -14.172 -2.500 90 HB2 LYS 11 2HB LYS 11 7.924 -13.696 0.099 91 HB3 LYS 11 3HB LYS 11 6.226 -14.197 0.116 92 HG2 LYS 11 2HG LYS 11 6.688 -16.160 -1.184 93 HG3 LYS 11 3HG LYS 11 8.396 -15.711 -1.400 94 HD2 LYS 11 2HD LYS 11 8.832 -16.014 0.965 95 HD3 LYS 11 3HD LYS 11 7.108 -16.219 1.289 96 HE2 LYS 11 2HE LYS 11 8.101 -18.412 1.280 97 HE3 LYS 11 3HE LYS 11 7.109 -18.280 -0.177 98 HZ1 LYS 11 3HZ LYS 11 9.399 -19.249 -0.437 99 HZ2 LYS 11 1HZ LYS 11 9.073 -17.994 -1.464 100 HZ3 LYS 11 2HZ LYS 11 10.013 -17.751 -0.158 101 H THR 12 HN THR 12 4.355 -13.211 -2.264 102 HA THR 12 HA THR 12 4.447 -10.304 -2.162 103 HB THR 12 HB THR 12 2.118 -12.231 -2.493 104 HG1 THR 12 HG1 THR 12 2.381 -11.596 -4.684 105 HG21 THR 12 3HG2 THR 12 1.054 -10.274 -3.498 106 HG22 THR 12 1HG2 THR 12 1.352 -10.056 -1.751 107 HG23 THR 12 2HG2 THR 12 2.387 -9.242 -2.931 108 H ILE 13 HN ILE 13 4.435 -9.258 -0.274 109 HA ILE 13 HA ILE 13 3.602 -10.474 2.159 110 HB ILE 13 HB ILE 13 5.390 -8.779 1.754 111 HG12 ILE 13 2HG1 ILE 13 4.924 -9.411 3.978 112 HG13 ILE 13 3HG1 ILE 13 5.287 -7.700 3.881 113 HG21 ILE 13 1HG2 ILE 13 3.190 -6.715 1.872 114 HG22 ILE 13 2HG2 ILE 13 4.941 -6.439 1.781 115 HG23 ILE 13 3HG2 ILE 13 4.093 -7.206 0.421 116 HD11 ILE 13 3HD1 ILE 13 3.540 -7.925 5.453 117 HD12 ILE 13 1HD1 ILE 13 2.760 -7.261 4.010 118 HD13 ILE 13 2HD1 ILE 13 2.612 -8.994 4.418 119 H THR 14 HN THR 14 1.735 -10.453 3.163 120 HA THR 14 HA THR 14 -0.756 -9.791 1.772 121 HB THR 14 HB THR 14 -0.216 -10.997 4.539 122 HG1 THR 14 HG1 THR 14 0.875 -12.238 3.196 123 HG21 THR 14 3HG2 THR 14 -2.585 -11.366 2.661 124 HG22 THR 14 1HG2 THR 14 -2.374 -12.096 4.259 125 HG23 THR 14 2HG2 THR 14 -2.549 -10.347 4.112 126 H LEU 15 HN LEU 15 -1.779 -7.807 2.189 127 HA LEU 15 HA LEU 15 -1.057 -6.372 4.703 128 HG LEU 15 HG LEU 15 -0.499 -3.296 2.751 129 HB2 LEU 15 2HB LEU 15 -0.349 -5.533 2.323 130 HB3 LEU 15 3HB LEU 15 -2.041 -5.144 2.127 131 HD11 LEU 15 1HD1 LEU 15 -2.776 -3.721 4.700 132 HD12 LEU 15 2HD1 LEU 15 -1.994 -2.176 4.305 133 HD13 LEU 15 3HD1 LEU 15 -2.889 -3.043 3.059 134 HD21 LEU 15 3HD2 LEU 15 0.850 -4.660 4.386 135 HD22 LEU 15 1HD2 LEU 15 0.336 -3.076 5.000 136 HD23 LEU 15 2HD2 LEU 15 -0.500 -4.515 5.540 137 H GLU 16 HN GLU 16 -2.711 -6.676 6.069 138 HA GLU 16 HA GLU 16 -5.450 -7.060 5.119 139 HB2 GLU 16 2HB GLU 16 -4.449 -8.414 6.939 140 HB3 GLU 16 3HB GLU 16 -4.222 -6.959 7.909 141 HG2 GLU 16 2HG GLU 16 -6.969 -7.593 6.811 142 HG3 GLU 16 3HG GLU 16 -6.345 -8.555 8.140 143 H VAL 17 HN VAL 17 -6.920 -5.343 5.014 144 HA VAL 17 HA VAL 17 -6.565 -2.838 6.370 145 HB VAL 17 HB VAL 17 -4.942 -2.255 4.764 146 HG11 VAL 17 1HG1 VAL 17 -4.976 -4.146 3.298 147 HG12 VAL 17 2HG1 VAL 17 -6.563 -3.692 2.654 148 HG13 VAL 17 3HG1 VAL 17 -5.127 -2.691 2.325 149 HG21 VAL 17 3HG2 VAL 17 -6.747 -0.573 4.717 150 HG22 VAL 17 1HG2 VAL 17 -5.823 -0.664 3.212 151 HG23 VAL 17 2HG2 VAL 17 -7.450 -1.369 3.308 152 H GLU 18 HN GLU 18 -8.457 -1.521 6.104 153 HA GLU 18 HA GLU 18 -10.790 -3.159 5.511 154 HB2 GLU 18 2HB GLU 18 -10.296 -0.423 6.807 155 HB3 GLU 18 3HB GLU 18 -11.921 -1.049 6.546 156 HG2 GLU 18 2HG GLU 18 -9.725 -2.356 8.217 157 HG3 GLU 18 3HG GLU 18 -11.220 -1.594 8.811 158 HA PRO 19 HA PRO 19 -12.071 -0.856 1.867 159 HB2 PRO 19 2HB PRO 19 -14.685 -1.461 1.700 160 HB3 PRO 19 3HB PRO 19 -13.437 -2.733 1.570 161 HG2 PRO 19 2HG PRO 19 -15.083 -1.970 3.973 162 HG3 PRO 19 3HG PRO 19 -14.738 -3.600 3.340 163 HD2 PRO 19 2HD PRO 19 -13.325 -2.380 5.373 164 HD3 PRO 19 3HD PRO 19 -12.638 -3.662 4.334 165 H SER 20 HN SER 20 -12.356 0.349 4.869 166 HA SER 20 HA SER 20 -12.889 2.868 3.639 167 HG SER 20 HG SER 20 -14.921 4.551 5.479 168 HB2 SER 20 2HB SER 20 -15.153 2.004 4.692 169 HB3 SER 20 3HB SER 20 -14.435 2.615 6.186 170 H ASP 21 HN ASP 21 -10.708 1.417 4.504 171 HA ASP 21 HA ASP 21 -9.510 2.660 6.801 172 HB2 ASP 21 2HB ASP 21 -8.879 0.633 4.992 173 HB3 ASP 21 3HB ASP 21 -7.808 1.933 4.526 174 H THR 22 HN THR 22 -7.475 4.180 6.148 175 HA THR 22 HA THR 22 -8.297 6.125 4.058 176 HB THR 22 HB THR 22 -7.216 7.847 5.689 177 HG1 THR 22 HG1 THR 22 -7.619 7.347 7.871 178 HG21 THR 22 3HG2 THR 22 -10.009 6.732 6.154 179 HG22 THR 22 1HG2 THR 22 -9.429 8.311 6.717 180 HG23 THR 22 2HG2 THR 22 -9.538 7.973 4.980 181 H ILE 23 HN ILE 23 -6.504 6.904 2.863 182 HA ILE 23 HA ILE 23 -4.648 4.760 2.528 183 HB ILE 23 HB ILE 23 -4.805 7.495 1.314 184 HG12 ILE 23 2HG1 ILE 23 -5.354 6.088 -0.756 185 HG13 ILE 23 3HG1 ILE 23 -5.592 4.738 0.342 186 HG21 ILE 23 1HG2 ILE 23 -2.953 5.287 0.410 187 HG22 ILE 23 2HG2 ILE 23 -3.244 6.876 -0.375 188 HG23 ILE 23 3HG2 ILE 23 -2.438 6.799 1.174 189 HD11 ILE 23 3HD1 ILE 23 -7.517 5.900 1.355 190 HD12 ILE 23 1HD1 ILE 23 -7.120 7.389 0.456 191 HD13 ILE 23 2HD1 ILE 23 -7.693 5.946 -0.389 192 H GLU 24 HN GLU 24 -4.534 7.672 4.437 193 HA GLU 24 HA GLU 24 -1.750 7.741 5.011 194 HB2 GLU 24 2HB GLU 24 -2.492 8.967 7.043 195 HB3 GLU 24 3HB GLU 24 -3.034 9.621 5.505 196 HG2 GLU 24 2HG GLU 24 -5.281 8.758 5.830 197 HG3 GLU 24 3HG GLU 24 -4.805 8.002 7.361 198 H ASN 25 HN ASN 25 -4.469 6.036 6.673 199 HA ASN 25 HA ASN 25 -2.782 4.746 8.650 200 HB2 ASN 25 2HB ASN 25 -5.640 4.366 7.646 201 HB3 ASN 25 3HB ASN 25 -4.890 3.242 8.772 202 HD21 ASN 25 1HD2 ASN 25 -5.493 3.673 10.851 203 HD22 ASN 25 2HD2 ASN 25 -5.634 5.280 11.562 204 H VAL 26 HN VAL 26 -3.879 4.028 5.389 205 HA VAL 26 HA VAL 26 -3.025 1.276 5.365 206 HB VAL 26 HB VAL 26 -3.432 3.231 3.099 207 HG11 VAL 26 1HG1 VAL 26 -3.636 1.267 1.701 208 HG12 VAL 26 2HG1 VAL 26 -2.048 1.381 2.404 209 HG13 VAL 26 3HG1 VAL 26 -3.199 0.208 3.080 210 HG21 VAL 26 3HG2 VAL 26 -5.544 2.847 4.285 211 HG22 VAL 26 1HG2 VAL 26 -5.558 1.800 2.876 212 HG23 VAL 26 2HG2 VAL 26 -5.171 1.153 4.480 213 H LYS 27 HN LYS 27 -1.358 4.323 4.289 214 HA LYS 27 HA LYS 27 1.006 2.898 3.633 215 HB2 LYS 27 2HB LYS 27 1.941 4.883 3.172 216 HB3 LYS 27 3HB LYS 27 0.271 5.421 3.198 217 HG2 LYS 27 2HG LYS 27 0.702 6.291 5.495 218 HG3 LYS 27 3HG LYS 27 2.370 5.716 5.388 219 HD2 LYS 27 2HD LYS 27 2.361 8.039 4.869 220 HD3 LYS 27 3HD LYS 27 2.699 7.152 3.372 221 HE2 LYS 27 2HE LYS 27 0.292 7.454 2.703 222 HE3 LYS 27 3HE LYS 27 0.012 8.303 4.234 223 HZ1 LYS 27 3HZ LYS 27 0.281 9.968 2.785 224 HZ2 LYS 27 1HZ LYS 27 1.805 9.893 3.394 225 HZ3 LYS 27 2HZ LYS 27 1.489 9.276 1.902 226 H ALA 28 HN ALA 28 -0.138 4.197 6.694 227 HA ALA 28 HA ALA 28 2.074 3.549 8.285 228 HB1 ALA 28 1HB ALA 28 0.676 3.922 10.052 229 HB2 ALA 28 2HB ALA 28 -0.228 4.754 8.771 230 HB3 ALA 28 3HB ALA 28 -0.729 3.143 9.308 231 H LYS 29 HN LYS 29 -0.821 1.516 7.545 232 HA LYS 29 HA LYS 29 -0.110 -0.821 8.821 233 HB2 LYS 29 2HB LYS 29 -1.774 -0.186 6.447 234 HB3 LYS 29 3HB LYS 29 -1.091 -1.822 6.406 235 HG2 LYS 29 2HG LYS 29 -2.015 -2.404 8.503 236 HG3 LYS 29 3HG LYS 29 -2.504 -0.734 8.865 237 HD2 LYS 29 2HD LYS 29 -3.453 -2.162 6.367 238 HD3 LYS 29 3HD LYS 29 -4.289 -2.370 7.922 239 HE2 LYS 29 2HE LYS 29 -3.812 0.342 6.659 240 HE3 LYS 29 3HE LYS 29 -5.289 -0.607 6.431 241 HZ1 LYS 29 3HZ LYS 29 -4.346 0.563 8.979 242 HZ2 LYS 29 1HZ LYS 29 -5.652 0.977 8.052 243 HZ3 LYS 29 2HZ LYS 29 -5.641 -0.447 8.818 244 H ILE 30 HN ILE 30 1.022 0.115 5.537 245 HA ILE 30 HA ILE 30 2.644 -2.286 5.475 246 HB ILE 30 HB ILE 30 3.742 -0.551 3.577 247 HG12 ILE 30 2HG1 ILE 30 1.741 0.951 3.785 248 HG13 ILE 30 3HG1 ILE 30 2.224 0.341 2.210 249 HG21 ILE 30 1HG2 ILE 30 3.429 -2.944 3.480 250 HG22 ILE 30 2HG2 ILE 30 1.684 -2.743 3.305 251 HG23 ILE 30 3HG2 ILE 30 2.766 -2.155 2.058 252 HD11 ILE 30 3HD1 ILE 30 0.407 -1.251 2.136 253 HD12 ILE 30 1HD1 ILE 30 -0.068 -0.862 3.801 254 HD13 ILE 30 2HD1 ILE 30 -0.220 0.342 2.502 255 H GLN 31 HN GLN 31 3.272 0.995 6.553 256 HA GLN 31 HA GLN 31 6.090 0.853 6.540 257 HB2 GLN 31 2HB GLN 31 5.970 2.904 7.481 258 HB3 GLN 31 3HB GLN 31 4.311 2.783 7.105 259 HG2 GLN 31 2HG GLN 31 4.092 3.527 9.200 260 HG3 GLN 31 3HG GLN 31 4.113 1.830 9.617 261 HE21 GLN 31 1HE2 GLN 31 7.002 1.336 9.461 262 HE22 GLN 31 2HE2 GLN 31 7.655 2.192 10.829 263 H ASP 32 HN ASP 32 3.640 -0.352 8.702 264 HA ASP 32 HA ASP 32 5.436 -1.512 10.671 265 HB2 ASP 32 2HB ASP 32 2.452 -1.444 10.195 266 HB3 ASP 32 3HB ASP 32 3.113 -2.724 11.199 267 H LYS 33 HN LYS 33 3.211 -2.906 8.197 268 HA LYS 33 HA LYS 33 3.796 -5.587 8.708 269 HB2 LYS 33 2HB LYS 33 2.202 -4.135 6.774 270 HB3 LYS 33 3HB LYS 33 3.130 -5.300 5.903 271 HG2 LYS 33 2HG LYS 33 1.086 -6.328 6.411 272 HG3 LYS 33 3HG LYS 33 2.270 -7.100 7.473 273 HD2 LYS 33 2HD LYS 33 1.449 -5.895 9.392 274 HD3 LYS 33 3HD LYS 33 0.523 -4.763 8.386 275 HE2 LYS 33 2HE LYS 33 -0.962 -6.582 7.644 276 HE3 LYS 33 3HE LYS 33 -0.037 -7.768 8.575 277 HZ1 LYS 33 3HZ LYS 33 -0.758 -6.772 10.584 278 HZ2 LYS 33 1HZ LYS 33 -1.504 -5.508 9.841 279 HZ3 LYS 33 2HZ LYS 33 -2.099 -7.016 9.726 280 H GLU 34 HN GLU 34 5.910 -3.430 7.123 281 HA GLU 34 HA GLU 34 7.558 -5.745 6.211 282 HB2 GLU 34 2HB GLU 34 6.248 -3.837 4.578 283 HB3 GLU 34 3HB GLU 34 7.913 -3.329 4.585 284 HG2 GLU 34 2HG GLU 34 7.038 -6.188 3.997 285 HG3 GLU 34 3HG GLU 34 7.079 -4.945 2.770 286 H GLY 35 HN GLY 35 7.365 -3.413 8.490 287 HA2 GLY 35 1HA GLY 35 8.816 -2.329 9.847 288 HA3 GLY 35 2HA GLY 35 9.983 -3.570 9.373 289 H ILE 36 HN ILE 36 8.589 -0.428 8.390 290 HA ILE 36 HA ILE 36 11.145 0.567 7.404 291 HB ILE 36 HB ILE 36 10.530 -0.662 5.499 292 HG12 ILE 36 2HG1 ILE 36 9.652 2.239 5.118 293 HG13 ILE 36 3HG1 ILE 36 11.297 1.577 5.035 294 HG21 ILE 36 1HG2 ILE 36 7.749 0.500 5.336 295 HG22 ILE 36 2HG2 ILE 36 8.449 -0.838 4.413 296 HG23 ILE 36 3HG2 ILE 36 8.051 -1.070 6.101 297 HD11 ILE 36 3HD1 ILE 36 10.464 1.909 2.807 298 HD12 ILE 36 1HD1 ILE 36 10.535 0.166 3.115 299 HD13 ILE 36 2HD1 ILE 36 8.970 1.027 3.149 300 HA PRO 37 HA PRO 37 8.631 3.899 9.077 301 HB2 PRO 37 2HB PRO 37 10.444 5.930 9.204 302 HB3 PRO 37 3HB PRO 37 10.545 4.470 10.234 303 HG2 PRO 37 2HG PRO 37 12.038 5.040 7.658 304 HG3 PRO 37 3HG PRO 37 12.685 4.439 9.223 305 HD2 PRO 37 2HD PRO 37 12.025 2.776 7.121 306 HD3 PRO 37 3HD PRO 37 11.911 2.284 8.831 307 HA PRO 38 HA PRO 38 7.092 6.203 5.647 308 HB2 PRO 38 2HB PRO 38 6.298 8.626 6.791 309 HB3 PRO 38 3HB PRO 38 5.426 7.070 6.903 310 HG2 PRO 38 2HG PRO 38 7.320 8.329 8.894 311 HG3 PRO 38 3HG PRO 38 5.761 7.508 9.195 312 HD2 PRO 38 2HD PRO 38 8.140 6.262 9.564 313 HD3 PRO 38 3HD PRO 38 6.723 5.383 8.923 314 H ASP 39 HN ASP 39 10.107 7.115 6.741 315 HA ASP 39 HA ASP 39 10.659 9.586 5.486 316 HB2 ASP 39 2HB ASP 39 12.364 7.098 5.899 317 HB3 ASP 39 3HB ASP 39 12.993 8.609 5.242 318 H GLN 40 HN GLN 40 10.100 6.426 4.155 319 HA GLN 40 HA GLN 40 10.367 7.413 1.372 320 HB2 GLN 40 2HB GLN 40 11.261 4.679 2.393 321 HB3 GLN 40 3HB GLN 40 11.209 5.158 0.712 322 HG2 GLN 40 2HG GLN 40 12.887 6.978 2.368 323 HG3 GLN 40 3HG GLN 40 13.405 5.301 2.380 324 HE21 GLN 40 1HE2 GLN 40 13.728 8.188 0.667 325 HE22 GLN 40 2HE2 GLN 40 14.509 7.484 -0.722 326 H GLN 41 HN GLN 41 9.367 4.769 0.463 327 HA GLN 41 HA GLN 41 7.679 3.359 0.398 328 HB2 GLN 41 2HB GLN 41 8.084 3.155 2.893 329 HB3 GLN 41 3HB GLN 41 6.775 4.318 3.129 330 HG2 GLN 41 2HG GLN 41 5.342 2.774 1.655 331 HG3 GLN 41 3HG GLN 41 6.641 1.577 1.844 332 HE21 GLN 41 1HE2 GLN 41 4.766 3.902 3.859 333 HE22 GLN 41 2HE2 GLN 41 4.211 2.700 5.020 334 H ARG 42 HN ARG 42 7.139 4.919 -1.345 335 HA ARG 42 HA ARG 42 4.799 6.616 -0.922 336 HE ARG 42 HE ARG 42 4.268 9.331 -4.878 337 HB2 ARG 42 2HB ARG 42 6.208 7.224 -2.742 338 HB3 ARG 42 3HB ARG 42 6.240 5.584 -3.396 339 HG2 ARG 42 2HG ARG 42 3.881 5.738 -4.045 340 HG3 ARG 42 3HG ARG 42 3.713 7.313 -3.254 341 HD2 ARG 42 2HD ARG 42 5.574 6.768 -5.608 342 HD3 ARG 42 3HD ARG 42 3.888 7.230 -5.785 343 HH11 ARG 42 2HH2 ARG 42 7.378 7.541 -4.865 344 HH12 ARG 42 1HH2 ARG 42 8.319 8.985 -5.006 345 HH21 ARG 42 2HH1 ARG 42 5.605 11.217 -5.117 346 HH22 ARG 42 1HH1 ARG 42 7.338 10.997 -5.011 347 H LEU 43 HN LEU 43 2.807 5.959 -0.714 348 HA LEU 43 HA LEU 43 1.867 3.293 -1.455 349 HG LEU 43 HG LEU 43 -0.190 4.156 1.477 350 HB2 LEU 43 2HB LEU 43 0.950 5.641 0.129 351 HB3 LEU 43 3HB LEU 43 -0.337 5.072 -0.897 352 HD11 LEU 43 1HD1 LEU 43 -0.789 1.800 0.608 353 HD12 LEU 43 2HD1 LEU 43 -1.760 3.185 0.130 354 HD13 LEU 43 3HD1 LEU 43 -0.565 2.531 -0.997 355 HD21 LEU 43 3HD2 LEU 43 1.287 2.241 1.815 356 HD22 LEU 43 1HD2 LEU 43 2.071 2.464 0.305 357 HD23 LEU 43 2HD2 LEU 43 2.266 3.703 1.496 358 H ILE 44 HN ILE 44 0.774 2.682 -3.289 359 HA ILE 44 HA ILE 44 -0.611 4.633 -4.782 360 HB ILE 44 HB ILE 44 1.922 4.582 -5.573 361 HG12 ILE 44 2HG1 ILE 44 -0.293 4.610 -7.628 362 HG13 ILE 44 3HG1 ILE 44 -0.121 5.854 -6.366 363 HG21 ILE 44 1HG2 ILE 44 1.843 2.094 -6.050 364 HG22 ILE 44 2HG2 ILE 44 0.795 2.454 -7.427 365 HG23 ILE 44 3HG2 ILE 44 2.436 3.119 -7.365 366 HD11 ILE 44 3HD1 ILE 44 2.021 5.225 -8.381 367 HD12 ILE 44 1HD1 ILE 44 0.892 6.582 -8.467 368 HD13 ILE 44 2HD1 ILE 44 2.055 6.483 -7.136 369 H PHE 45 HN PHE 45 -1.799 3.483 -6.692 370 HA PHE 45 HA PHE 45 -1.903 0.572 -6.348 371 HD1 PHE 45 HD2 PHE 45 -2.847 -1.055 -5.502 372 HD2 PHE 45 HD1 PHE 45 -5.551 1.994 -4.024 373 HE1 PHE 45 HE2 PHE 45 -3.112 -2.328 -3.403 374 HE2 PHE 45 HE1 PHE 45 -5.491 0.848 -1.849 375 HZ PHE 45 HZ PHE 45 -4.392 -1.330 -1.548 376 HB2 PHE 45 2HB PHE 45 -4.376 2.335 -6.080 377 HB3 PHE 45 3HB PHE 45 -4.511 0.794 -6.890 378 H ALA 46 HN ALA 46 -4.233 2.329 -8.173 379 HA ALA 46 HA ALA 46 -3.541 0.618 -10.250 380 HB1 ALA 46 1HB ALA 46 -5.845 1.263 -9.578 381 HB2 ALA 46 2HB ALA 46 -5.567 2.905 -10.214 382 HB3 ALA 46 3HB ALA 46 -5.559 1.508 -11.302 383 H GLY 47 HN GLY 47 -1.861 3.349 -9.670 384 HA2 GLY 47 1HA GLY 47 -0.166 3.776 -11.429 385 HA3 GLY 47 2HA GLY 47 -1.501 4.182 -12.522 386 H LYS 48 HN LYS 48 -3.081 5.612 -10.487 387 HA LYS 48 HA LYS 48 -1.745 8.191 -10.754 388 HB2 LYS 48 2HB LYS 48 -3.796 9.022 -10.583 389 HB3 LYS 48 3HB LYS 48 -4.361 7.400 -10.823 390 HG2 LYS 48 2HG LYS 48 -4.074 8.836 -8.160 391 HG3 LYS 48 3HG LYS 48 -5.537 8.648 -9.087 392 HD2 LYS 48 2HD LYS 48 -5.389 6.168 -8.773 393 HD3 LYS 48 3HD LYS 48 -4.085 6.399 -7.614 394 HE2 LYS 48 2HE LYS 48 -5.457 7.349 -5.991 395 HE3 LYS 48 3HE LYS 48 -6.421 8.189 -7.213 396 HZ1 LYS 48 3HZ LYS 48 -7.348 6.007 -7.828 397 HZ2 LYS 48 1HZ LYS 48 -6.722 5.352 -6.458 398 HZ3 LYS 48 2HZ LYS 48 -7.834 6.589 -6.410 399 H GLN 49 HN GLN 49 -1.276 9.648 -8.888 400 HA GLN 49 HA GLN 49 0.181 8.275 -6.801 401 HB2 GLN 49 2HB GLN 49 -0.762 11.167 -6.804 402 HB3 GLN 49 3HB GLN 49 0.364 10.429 -5.698 403 HG2 GLN 49 2HG GLN 49 1.904 11.390 -7.006 404 HG3 GLN 49 3HG GLN 49 1.757 9.865 -7.881 405 HE21 GLN 49 1HE2 GLN 49 2.361 10.743 -9.928 406 HE22 GLN 49 2HE2 GLN 49 1.347 11.878 -10.805 407 H LEU 50 HN LEU 50 -0.476 7.709 -4.723 408 HA LEU 50 HA LEU 50 -3.399 7.713 -4.311 409 HG LEU 50 HG LEU 50 -4.205 5.769 -2.962 410 HB2 LEU 50 2HB LEU 50 -1.222 6.040 -3.481 411 HB3 LEU 50 3HB LEU 50 -2.038 6.567 -2.063 412 HD11 LEU 50 1HD1 LEU 50 -4.172 5.948 -5.268 413 HD12 LEU 50 2HD1 LEU 50 -2.528 5.328 -5.443 414 HD13 LEU 50 3HD1 LEU 50 -3.855 4.224 -5.094 415 HD21 LEU 50 3HD2 LEU 50 -1.911 3.763 -2.993 416 HD22 LEU 50 1HD2 LEU 50 -2.910 4.239 -1.631 417 HD23 LEU 50 2HD2 LEU 50 -3.618 3.320 -2.956 418 H GLU 51 HN GLU 51 -3.708 9.845 -4.183 419 HA GLU 51 HA GLU 51 -2.959 11.537 -2.026 420 HB2 GLU 51 2HB GLU 51 -5.038 11.447 -4.076 421 HB3 GLU 51 3HB GLU 51 -5.747 11.870 -2.521 422 HG2 GLU 51 2HG GLU 51 -4.143 13.726 -2.261 423 HG3 GLU 51 3HG GLU 51 -3.392 13.298 -3.818 424 H ASP 52 HN ASP 52 -3.224 11.270 0.097 425 HA ASP 52 HA ASP 52 -5.238 9.426 1.188 426 HB2 ASP 52 2HB ASP 52 -3.940 9.558 3.260 427 HB3 ASP 52 3HB ASP 52 -3.018 8.876 1.936 428 H GLY 53 HN GLY 53 -6.486 11.248 0.167 429 HA2 GLY 53 1HA GLY 53 -7.442 12.893 2.468 430 HA3 GLY 53 2HA GLY 53 -7.348 13.554 0.835 431 H ARG 54 HN ARG 54 -8.254 10.242 0.686 432 HA ARG 54 HA ARG 54 -11.106 10.877 0.919 433 HE ARG 54 HE ARG 54 -10.356 10.486 -4.231 434 HB2 ARG 54 2HB ARG 54 -11.825 10.347 -1.129 435 HB3 ARG 54 3HB ARG 54 -10.422 11.309 -1.495 436 HG2 ARG 54 2HG ARG 54 -9.257 9.524 -2.442 437 HG3 ARG 54 3HG ARG 54 -10.045 8.312 -1.447 438 HD2 ARG 54 2HD ARG 54 -11.117 7.871 -3.396 439 HD3 ARG 54 3HD ARG 54 -12.263 9.015 -2.725 440 HH11 ARG 54 2HH2 ARG 54 -13.120 8.347 -4.882 441 HH12 ARG 54 1HH2 ARG 54 -12.767 8.168 -6.564 442 HH21 ARG 54 2HH1 ARG 54 -10.282 10.752 -6.420 443 HH22 ARG 54 1HH1 ARG 54 -11.449 9.995 -7.489 444 H THR 55 HN THR 55 -12.233 8.604 0.059 445 HA THR 55 HA THR 55 -11.670 7.010 2.401 446 HB THR 55 HB THR 55 -13.939 6.829 0.350 447 HG1 THR 55 HG1 THR 55 -14.799 8.607 1.246 448 HG21 THR 55 3HG2 THR 55 -14.009 5.144 2.209 449 HG22 THR 55 1HG2 THR 55 -13.823 6.444 3.400 450 HG23 THR 55 2HG2 THR 55 -15.277 6.361 2.397 451 H LEU 56 HN LEU 56 -11.164 4.818 2.475 452 HA LEU 56 HA LEU 56 -10.196 3.527 0.155 453 HG LEU 56 HG LEU 56 -8.856 1.310 2.669 454 HB2 LEU 56 2HB LEU 56 -10.698 2.778 2.900 455 HB3 LEU 56 3HB LEU 56 -11.218 1.499 1.873 456 HD11 LEU 56 1HD1 LEU 56 -9.315 1.402 -0.315 457 HD12 LEU 56 2HD1 LEU 56 -8.060 0.490 0.541 458 HD13 LEU 56 3HD1 LEU 56 -9.757 0.067 0.798 459 HD21 LEU 56 3HD2 LEU 56 -8.212 3.550 0.698 460 HD22 LEU 56 1HD2 LEU 56 -8.106 3.659 2.466 461 HD23 LEU 56 2HD2 LEU 56 -7.079 2.543 1.558 462 H SER 57 HN SER 57 -13.622 3.651 1.337 463 HA SER 57 HA SER 57 -14.503 1.507 -0.132 464 HG SER 57 HG SER 57 -15.269 2.145 2.064 465 HB2 SER 57 2HB SER 57 -16.108 4.071 0.161 466 HB3 SER 57 3HB SER 57 -16.703 2.400 0.094 467 H ASP 58 HN ASP 58 -13.647 4.707 -1.391 468 HA ASP 58 HA ASP 58 -14.964 4.314 -3.948 469 HB2 ASP 58 2HB ASP 58 -13.167 6.336 -2.665 470 HB3 ASP 58 3HB ASP 58 -12.948 6.143 -4.401 471 H TYR 59 HN TYR 59 -11.911 3.485 -2.564 472 HA TYR 59 HA TYR 59 -10.809 2.824 -5.242 473 HD1 TYR 59 HD2 TYR 59 -10.547 4.751 -5.728 474 HD2 TYR 59 HD1 TYR 59 -8.022 4.895 -2.205 475 HE1 TYR 59 HE2 TYR 59 -10.076 7.032 -6.210 476 HE2 TYR 59 HE1 TYR 59 -7.467 7.259 -2.759 477 HH TYR 59 HH TYR 59 -7.497 8.806 -4.560 478 HB2 TYR 59 2HB TYR 59 -9.481 2.992 -2.531 479 HB3 TYR 59 3HB TYR 59 -8.694 2.590 -4.069 480 H ASN 60 HN ASN 60 -10.860 1.333 -2.137 481 HA ASN 60 HA ASN 60 -11.237 -0.599 -1.253 482 HB2 ASN 60 2HB ASN 60 -13.385 0.340 -2.208 483 HB3 ASN 60 3HB ASN 60 -13.318 -0.928 -3.417 484 HD21 ASN 60 1HD2 ASN 60 -12.289 -3.057 -1.486 485 HD22 ASN 60 2HD2 ASN 60 -13.688 -3.414 -0.504 486 H ILE 61 HN ILE 61 -10.967 -1.164 -4.725 487 HA ILE 61 HA ILE 61 -9.784 -2.728 -5.875 488 HB ILE 61 HB ILE 61 -7.493 -2.560 -5.121 489 HG12 ILE 61 2HG1 ILE 61 -7.865 -2.414 -2.570 490 HG13 ILE 61 3HG1 ILE 61 -6.629 -1.491 -3.349 491 HG21 ILE 61 1HG2 ILE 61 -7.194 -0.213 -5.451 492 HG22 ILE 61 2HG2 ILE 61 -8.360 -0.934 -6.566 493 HG23 ILE 61 3HG2 ILE 61 -8.932 0.059 -5.218 494 HD11 ILE 61 3HD1 ILE 61 -8.355 0.545 -3.174 495 HD12 ILE 61 1HD1 ILE 61 -9.016 -0.510 -1.867 496 HD13 ILE 61 2HD1 ILE 61 -7.419 0.002 -1.797 497 H GLN 62 HN GLN 62 -11.300 -4.579 -5.027 498 HA GLN 62 HA GLN 62 -9.865 -6.356 -3.222 499 HB2 GLN 62 2HB GLN 62 -12.475 -6.521 -4.684 500 HB3 GLN 62 3HB GLN 62 -11.803 -7.905 -3.802 501 HG2 GLN 62 2HG GLN 62 -11.879 -5.183 -2.427 502 HG3 GLN 62 3HG GLN 62 -13.335 -6.156 -2.550 503 HE21 GLN 62 1HE2 GLN 62 -13.706 -7.263 -0.724 504 HE22 GLN 62 2HE2 GLN 62 -12.538 -8.088 0.274 505 H LYS 63 HN LYS 63 -8.071 -6.849 -3.906 506 HA LYS 63 HA LYS 63 -6.548 -8.357 -4.485 507 HB2 LYS 63 2HB LYS 63 -8.361 -9.435 -6.670 508 HB3 LYS 63 3HB LYS 63 -6.875 -10.150 -6.093 509 HG2 LYS 63 2HG LYS 63 -7.830 -10.825 -4.033 510 HG3 LYS 63 3HG LYS 63 -9.220 -9.741 -4.194 511 HD2 LYS 63 2HD LYS 63 -9.978 -11.974 -4.607 512 HD3 LYS 63 3HD LYS 63 -10.073 -11.029 -6.099 513 HE2 LYS 63 2HE LYS 63 -7.909 -12.063 -6.849 514 HE3 LYS 63 3HE LYS 63 -7.893 -13.045 -5.380 515 HZ1 LYS 63 3HZ LYS 63 -10.020 -13.093 -7.436 516 HZ2 LYS 63 1HZ LYS 63 -8.801 -14.168 -7.348 517 HZ3 LYS 63 2HZ LYS 63 -9.915 -14.106 -6.125 518 H GLU 64 HN GLU 64 -8.271 -6.871 -7.287 519 HA GLU 64 HA GLU 64 -5.992 -6.709 -8.963 520 HB2 GLU 64 2HB GLU 64 -8.544 -6.179 -9.407 521 HB3 GLU 64 3HB GLU 64 -8.098 -4.532 -8.927 522 HG2 GLU 64 2HG GLU 64 -6.183 -4.733 -10.682 523 HG3 GLU 64 3HG GLU 64 -6.971 -6.220 -11.209 524 H SER 65 HN SER 65 -6.814 -4.970 -6.122 525 HA SER 65 HA SER 65 -5.498 -2.712 -5.717 526 HG SER 65 HG SER 65 -5.369 -6.053 -5.070 527 HB2 SER 65 2HB SER 65 -4.734 -3.876 -3.548 528 HB3 SER 65 3HB SER 65 -6.415 -3.883 -3.872 529 H THR 66 HN THR 66 -3.494 -5.287 -4.702 530 HA THR 66 HA THR 66 -1.316 -5.283 -4.380 531 HB THR 66 HB THR 66 -1.812 -6.772 -6.135 532 HG1 THR 66 HG1 THR 66 0.149 -7.346 -6.316 533 HG21 THR 66 3HG2 THR 66 -1.193 -6.436 -8.411 534 HG22 THR 66 1HG2 THR 66 -2.400 -5.242 -7.974 535 HG23 THR 66 2HG2 THR 66 -0.693 -4.777 -8.115 536 H LEU 67 HN LEU 67 -1.005 -3.467 -3.390 537 HA LEU 67 HA LEU 67 -0.339 -0.946 -4.646 538 HG LEU 67 HG LEU 67 -0.419 0.754 -2.068 539 HB2 LEU 67 2HB LEU 67 -1.368 -1.158 -2.419 540 HB3 LEU 67 3HB LEU 67 -0.060 -2.132 -1.877 541 HD11 LEU 67 1HD1 LEU 67 -0.105 -0.592 -0.013 542 HD12 LEU 67 2HD1 LEU 67 1.561 -0.948 -0.514 543 HD13 LEU 67 3HD1 LEU 67 1.096 0.686 -0.145 544 HD21 LEU 67 3HD2 LEU 67 1.870 1.474 -2.329 545 HD22 LEU 67 1HD2 LEU 67 2.409 -0.158 -2.607 546 HD23 LEU 67 2HD2 LEU 67 1.395 0.671 -3.809 547 H HIS 68 HN HIS 68 1.420 -0.997 -5.930 548 HA HIS 68 HA HIS 68 3.867 -2.419 -5.133 549 HD1 HIS 68 HD1 HIS 68 0.991 -1.580 -8.157 550 HD2 HIS 68 HD2 HIS 68 4.343 0.976 -8.339 551 HE1 HIS 68 HE1 HIS 68 0.461 0.209 -9.895 552 HB2 HIS 68 2HB HIS 68 4.756 -1.284 -7.204 553 HB3 HIS 68 3HB HIS 68 3.519 -2.510 -7.438 554 H LEU 69 HN LEU 69 5.038 -1.554 -3.592 555 HA LEU 69 HA LEU 69 4.852 1.292 -2.898 556 HG LEU 69 HG LEU 69 5.924 -0.107 0.341 557 HB2 LEU 69 2HB LEU 69 6.590 -1.008 -1.931 558 HB3 LEU 69 3HB LEU 69 6.959 0.651 -1.559 559 HD11 LEU 69 1HD1 LEU 69 3.662 1.290 -1.078 560 HD12 LEU 69 2HD1 LEU 69 4.003 1.239 0.660 561 HD13 LEU 69 3HD1 LEU 69 5.102 2.096 -0.449 562 HD21 LEU 69 3HD2 LEU 69 4.977 -2.113 -0.259 563 HD22 LEU 69 1HD2 LEU 69 3.665 -1.148 0.369 564 HD23 LEU 69 2HD2 LEU 69 3.799 -1.387 -1.390 565 H VAL 70 HN VAL 70 5.933 2.776 -3.865 566 HA VAL 70 HA VAL 70 7.703 2.070 -6.111 567 HB VAL 70 HB VAL 70 6.081 4.505 -5.329 568 HG11 VAL 70 1HG1 VAL 70 6.854 5.623 -7.416 569 HG12 VAL 70 2HG1 VAL 70 8.139 5.477 -6.209 570 HG13 VAL 70 3HG1 VAL 70 8.098 4.368 -7.590 571 HG21 VAL 70 3HG2 VAL 70 4.971 4.117 -7.479 572 HG22 VAL 70 1HG2 VAL 70 6.059 2.749 -7.802 573 HG23 VAL 70 2HG2 VAL 70 4.897 2.671 -6.463 574 H LEU 71 HN LEU 71 9.860 2.083 -5.764 575 HA LEU 71 HA LEU 71 11.107 4.205 -4.251 576 HG LEU 71 HG LEU 71 12.419 0.694 -4.196 577 HB2 LEU 71 2HB LEU 71 12.367 2.856 -2.761 578 HB3 LEU 71 3HB LEU 71 10.678 2.519 -2.459 579 HD11 LEU 71 1HD1 LEU 71 13.539 0.912 -2.056 580 HD12 LEU 71 2HD1 LEU 71 12.019 0.588 -1.190 581 HD13 LEU 71 3HD1 LEU 71 12.785 -0.678 -2.170 582 HD21 LEU 71 3HD2 LEU 71 10.797 -1.053 -3.423 583 HD22 LEU 71 1HD2 LEU 71 9.840 0.213 -2.630 584 HD23 LEU 71 2HD2 LEU 71 10.025 0.204 -4.396 585 H ARG 72 HN ARG 72 13.579 4.008 -4.479 586 HA ARG 72 HA ARG 72 14.477 2.288 -6.652 587 HE ARG 72 HE ARG 72 16.550 5.692 -9.413 588 HB2 ARG 72 2HB ARG 72 13.638 4.832 -7.348 589 HB3 ARG 72 3HB ARG 72 15.331 5.143 -7.029 590 HG2 ARG 72 2HG ARG 72 14.383 2.883 -8.860 591 HG3 ARG 72 3HG ARG 72 14.509 4.538 -9.434 592 HD2 ARG 72 2HD ARG 72 16.843 2.993 -8.285 593 HD3 ARG 72 3HD ARG 72 16.486 3.109 -10.000 594 HH11 ARG 72 2HH2 ARG 72 18.983 3.180 -8.558 595 HH12 ARG 72 1HH2 ARG 72 20.245 4.354 -8.341 596 HH21 ARG 72 2HH1 ARG 72 18.129 7.122 -9.055 597 HH22 ARG 72 1HH1 ARG 72 19.761 6.688 -8.710 598 H LEU 73 HN LEU 73 16.791 2.262 -6.736 599 HA LEU 73 HA LEU 73 18.665 1.621 -5.834 600 HG LEU 73 HG LEU 73 20.421 1.682 -3.801 601 HB2 LEU 73 2HB LEU 73 18.798 4.067 -4.796 602 HB3 LEU 73 3HB LEU 73 18.410 3.220 -3.307 603 HD11 LEU 73 1HD1 LEU 73 20.983 3.844 -5.867 604 HD12 LEU 73 2HD1 LEU 73 22.149 2.611 -5.335 605 HD13 LEU 73 3HD1 LEU 73 20.705 2.125 -6.218 606 HD21 LEU 73 3HD2 LEU 73 22.080 3.349 -3.067 607 HD22 LEU 73 1HD2 LEU 73 20.932 4.659 -3.414 608 HD23 LEU 73 2HD2 LEU 73 20.583 3.455 -2.150 609 H ARG 74 HN ARG 74 19.052 0.856 -3.082 610 HA ARG 74 HA ARG 74 18.846 -1.007 -1.951 611 HE ARG 74 HE ARG 74 18.923 -0.657 1.244 612 HB2 ARG 74 2HB ARG 74 17.469 0.585 -0.787 613 HB3 ARG 74 3HB ARG 74 16.010 -0.020 -1.573 614 HG2 ARG 74 2HG ARG 74 15.966 -1.929 -0.283 615 HG3 ARG 74 3HG ARG 74 17.720 -2.040 -0.129 616 HD2 ARG 74 2HD ARG 74 16.114 0.151 1.243 617 HD3 ARG 74 3HD ARG 74 16.418 -1.419 1.992 618 HH11 ARG 74 2HH2 ARG 74 16.498 1.091 3.228 619 HH12 ARG 74 1HH2 ARG 74 17.720 1.835 4.200 620 HH21 ARG 74 2HH1 ARG 74 20.438 0.292 2.564 621 HH22 ARG 74 1HH1 ARG 74 19.944 1.400 3.826 622 H GLY 75 HN GLY 75 19.330 -2.433 -3.540 623 HA2 GLY 75 1HA GLY 75 17.418 -3.861 -5.081 624 HA3 GLY 75 2HA GLY 75 19.076 -4.387 -4.727 625 H GLY 76 HN GLY 76 17.626 -6.514 -4.840 626 HA2 GLY 76 1HA GLY 76 17.289 -7.422 -2.108 627 HA3 GLY 76 2HA GLY 76 15.851 -7.518 -3.145 Start of MODEL 20 1 HA MET 1 HA MET 1 -10.948 -7.007 0.077 2 H1 MET 1 HN MET 1 -12.508 -7.576 2.451 3 HB2 MET 1 2HB MET 1 -11.988 -5.115 1.148 4 HB3 MET 1 3HB MET 1 -11.025 -5.372 2.609 5 HG2 MET 1 2HG MET 1 -9.010 -4.793 1.469 6 HG3 MET 1 3HG MET 1 -9.657 -5.171 -0.086 7 HE1 MET 1 3HE MET 1 -8.845 -1.257 1.333 8 HE2 MET 1 1HE MET 1 -8.127 -2.859 1.590 9 HE3 MET 1 2HE MET 1 -8.182 -2.151 -0.049 10 H GLN 2 HN GLN 2 -8.884 -6.292 2.638 11 HA GLN 2 HA GLN 2 -6.891 -7.087 3.060 12 HB2 GLN 2 2HB GLN 2 -7.763 -9.962 2.616 13 HB3 GLN 2 3HB GLN 2 -6.388 -9.357 3.513 14 HG2 GLN 2 2HG GLN 2 -7.765 -9.813 5.261 15 HG3 GLN 2 3HG GLN 2 -8.257 -8.147 4.989 16 HE21 GLN 2 1HE2 GLN 2 -10.489 -7.928 4.961 17 HE22 GLN 2 2HE2 GLN 2 -11.594 -9.275 4.714 18 H ILE 3 HN ILE 3 -6.075 -5.971 1.252 19 HA ILE 3 HA ILE 3 -6.092 -7.289 -1.331 20 HB ILE 3 HB ILE 3 -6.020 -5.374 -2.216 21 HG12 ILE 3 2HG1 ILE 3 -3.680 -4.987 -2.214 22 HG13 ILE 3 3HG1 ILE 3 -4.519 -3.493 -1.957 23 HG21 ILE 3 1HG2 ILE 3 -7.497 -4.757 -0.423 24 HG22 ILE 3 2HG2 ILE 3 -6.135 -4.045 0.469 25 HG23 ILE 3 3HG2 ILE 3 -6.636 -3.377 -1.081 26 HD11 ILE 3 3HD1 ILE 3 -3.946 -3.379 0.374 27 HD12 ILE 3 1HD1 ILE 3 -3.282 -5.014 0.375 28 HD13 ILE 3 2HD1 ILE 3 -2.471 -3.753 -0.529 29 H PHE 4 HN PHE 4 -4.038 -7.602 -2.638 30 HA PHE 4 HA PHE 4 -1.916 -8.696 -0.926 31 HD1 PHE 4 HD2 PHE 4 -1.901 -11.021 -1.199 32 HD2 PHE 4 HD1 PHE 4 -3.917 -9.706 -4.802 33 HE1 PHE 4 HE2 PHE 4 -3.412 -12.965 -1.075 34 HE2 PHE 4 HE1 PHE 4 -5.390 -11.674 -4.682 35 HZ PHE 4 HZ PHE 4 -5.133 -13.320 -2.828 36 HB2 PHE 4 2HB PHE 4 -2.090 -8.426 -3.934 37 HB3 PHE 4 3HB PHE 4 -0.861 -9.314 -3.082 38 H VAL 5 HN VAL 5 0.411 -8.230 -1.672 39 HA VAL 5 HA VAL 5 0.939 -5.407 -2.303 40 HB VAL 5 HB VAL 5 1.983 -7.056 0.016 41 HG11 VAL 5 1HG1 VAL 5 3.975 -6.116 -0.907 42 HG12 VAL 5 2HG1 VAL 5 3.213 -4.524 -1.095 43 HG13 VAL 5 3HG1 VAL 5 3.567 -5.180 0.523 44 HG21 VAL 5 3HG2 VAL 5 1.230 -5.403 1.481 45 HG22 VAL 5 1HG2 VAL 5 1.068 -4.183 0.226 46 HG23 VAL 5 2HG2 VAL 5 -0.098 -5.518 0.328 47 H LYS 6 HN LYS 6 2.912 -5.318 -3.511 48 HA LYS 6 HA LYS 6 4.223 -7.927 -4.109 49 HB2 LYS 6 2HB LYS 6 4.017 -5.574 -6.027 50 HB3 LYS 6 3HB LYS 6 4.802 -7.131 -6.312 51 HG2 LYS 6 2HG LYS 6 2.557 -8.260 -6.071 52 HG3 LYS 6 3HG LYS 6 1.816 -6.671 -5.853 53 HD2 LYS 6 2HD LYS 6 1.473 -7.129 -8.113 54 HD3 LYS 6 3HD LYS 6 2.793 -5.973 -8.083 55 HE2 LYS 6 2HE LYS 6 3.232 -7.726 -9.713 56 HE3 LYS 6 3HE LYS 6 4.423 -7.825 -8.415 57 HZ1 LYS 6 3HZ LYS 6 3.417 -9.951 -9.175 58 HZ2 LYS 6 1HZ LYS 6 3.360 -9.725 -7.572 59 HZ3 LYS 6 2HZ LYS 6 1.990 -9.498 -8.470 60 H THR 7 HN THR 7 6.392 -7.879 -3.573 61 HA THR 7 HA THR 7 7.797 -5.407 -3.273 62 HB THR 7 HB THR 7 6.391 -5.359 -1.269 63 HG1 THR 7 HG1 THR 7 8.048 -4.803 0.029 64 HG21 THR 7 3HG2 THR 7 6.081 -7.730 -0.753 65 HG22 THR 7 1HG2 THR 7 7.806 -7.911 -0.400 66 HG23 THR 7 2HG2 THR 7 6.796 -6.871 0.621 67 H LEU 8 HN LEU 8 9.767 -6.476 -1.542 68 HA LEU 8 HA LEU 8 11.329 -8.087 -3.314 69 HG LEU 8 HG LEU 8 11.763 -8.761 0.376 70 HB2 LEU 8 2HB LEU 8 13.017 -8.059 -1.691 71 HB3 LEU 8 3HB LEU 8 12.256 -6.486 -1.614 72 HD11 LEU 8 1HD1 LEU 8 13.160 -7.455 1.901 73 HD12 LEU 8 2HD1 LEU 8 14.064 -7.932 0.452 74 HD13 LEU 8 3HD1 LEU 8 13.479 -6.258 0.623 75 HD21 LEU 8 3HD2 LEU 8 10.920 -5.827 0.443 76 HD22 LEU 8 1HD2 LEU 8 9.859 -7.259 0.410 77 HD23 LEU 8 2HD2 LEU 8 10.837 -6.939 1.827 78 H THR 9 HN THR 9 12.367 -10.172 -2.629 79 HA THR 9 HA THR 9 12.187 -12.367 -2.411 80 HB THR 9 HB THR 9 10.304 -11.999 -0.077 81 HG1 THR 9 HG1 THR 9 12.970 -11.197 -0.316 82 HG21 THR 9 3HG2 THR 9 11.947 -13.791 0.860 83 HG22 THR 9 1HG2 THR 9 10.750 -14.297 -0.339 84 HG23 THR 9 2HG2 THR 9 12.434 -14.008 -0.825 85 H GLY 10 HN GLY 10 9.468 -13.814 -1.557 86 HA2 GLY 10 1HA GLY 10 7.716 -13.129 -3.741 87 HA3 GLY 10 2HA GLY 10 8.681 -14.581 -4.048 88 H LYS 11 HN LYS 11 6.268 -15.229 -4.025 89 HA LYS 11 HA LYS 11 4.318 -15.874 -3.250 90 HB2 LYS 11 2HB LYS 11 5.407 -15.793 -0.398 91 HB3 LYS 11 3HB LYS 11 3.729 -15.990 -0.803 92 HG2 LYS 11 2HG LYS 11 4.444 -18.115 -0.380 93 HG3 LYS 11 3HG LYS 11 4.251 -18.045 -2.126 94 HD2 LYS 11 2HD LYS 11 6.613 -18.084 -2.489 95 HD3 LYS 11 3HD LYS 11 6.948 -17.614 -0.801 96 HE2 LYS 11 2HE LYS 11 5.920 -19.742 -0.025 97 HE3 LYS 11 3HE LYS 11 5.729 -20.266 -1.700 98 HZ1 LYS 11 3HZ LYS 11 8.297 -19.609 -0.396 99 HZ2 LYS 11 1HZ LYS 11 7.751 -21.132 -0.583 100 HZ3 LYS 11 2HZ LYS 11 8.122 -20.245 -1.916 101 H THR 12 HN THR 12 2.640 -14.604 -1.602 102 HA THR 12 HA THR 12 3.175 -11.708 -1.996 103 HB THR 12 HB THR 12 1.163 -12.726 -3.195 104 HG1 THR 12 HG1 THR 12 1.379 -10.570 -2.813 105 HG21 THR 12 3HG2 THR 12 -0.106 -12.741 -0.416 106 HG22 THR 12 1HG2 THR 12 -0.816 -13.217 -1.973 107 HG23 THR 12 2HG2 THR 12 0.445 -14.209 -1.258 108 H ILE 13 HN ILE 13 2.099 -10.415 -0.287 109 HA ILE 13 HA ILE 13 3.169 -11.481 2.171 110 HB ILE 13 HB ILE 13 3.363 -9.054 0.794 111 HG12 ILE 13 2HG1 ILE 13 5.205 -10.024 1.896 112 HG13 ILE 13 3HG1 ILE 13 4.950 -8.431 2.561 113 HG21 ILE 13 1HG2 ILE 13 2.823 -7.286 2.342 114 HG22 ILE 13 2HG2 ILE 13 1.347 -8.156 1.872 115 HG23 ILE 13 3HG2 ILE 13 2.062 -8.427 3.460 116 HD11 ILE 13 3HD1 ILE 13 4.457 -11.134 3.853 117 HD12 ILE 13 1HD1 ILE 13 5.441 -9.788 4.426 118 HD13 ILE 13 2HD1 ILE 13 3.675 -9.679 4.499 119 H THR 14 HN THR 14 -0.010 -10.919 1.098 120 HA THR 14 HA THR 14 -2.042 -10.770 2.066 121 HB THR 14 HB THR 14 -0.774 -12.221 4.404 122 HG1 THR 14 HG1 THR 14 -0.845 -13.901 3.221 123 HG21 THR 14 3HG2 THR 14 -3.658 -12.155 3.383 124 HG22 THR 14 1HG2 THR 14 -3.035 -13.183 4.688 125 HG23 THR 14 2HG2 THR 14 -3.073 -11.430 4.903 126 H LEU 15 HN LEU 15 -2.526 -8.633 2.325 127 HA LEU 15 HA LEU 15 -1.710 -7.316 4.859 128 HG LEU 15 HG LEU 15 -0.680 -4.352 2.974 129 HB2 LEU 15 2HB LEU 15 -0.961 -6.549 2.397 130 HB3 LEU 15 3HB LEU 15 -2.559 -5.850 2.350 131 HD11 LEU 15 1HD1 LEU 15 -2.833 -4.535 5.093 132 HD12 LEU 15 2HD1 LEU 15 -1.795 -3.135 4.721 133 HD13 LEU 15 3HD1 LEU 15 -2.927 -3.700 3.511 134 HD21 LEU 15 3HD2 LEU 15 0.583 -5.958 4.383 135 HD22 LEU 15 1HD2 LEU 15 0.320 -4.382 5.166 136 HD23 LEU 15 2HD2 LEU 15 -0.626 -5.757 5.676 137 H GLU 16 HN GLU 16 -3.429 -6.955 6.235 138 HA GLU 16 HA GLU 16 -6.057 -7.753 5.132 139 HB2 GLU 16 2HB GLU 16 -5.004 -7.852 7.959 140 HB3 GLU 16 3HB GLU 16 -6.649 -8.265 7.425 141 HG2 GLU 16 2HG GLU 16 -5.497 -9.935 5.801 142 HG3 GLU 16 3HG GLU 16 -4.063 -9.716 6.805 143 H VAL 17 HN VAL 17 -6.676 -5.767 4.322 144 HA VAL 17 HA VAL 17 -7.189 -3.568 6.256 145 HB VAL 17 HB VAL 17 -5.259 -2.947 5.070 146 HG11 VAL 17 1HG1 VAL 17 -5.014 -3.095 2.572 147 HG12 VAL 17 2HG1 VAL 17 -4.982 -4.648 3.413 148 HG13 VAL 17 3HG1 VAL 17 -6.460 -4.131 2.585 149 HG21 VAL 17 3HG2 VAL 17 -6.975 -1.207 4.950 150 HG22 VAL 17 1HG2 VAL 17 -5.894 -1.176 3.540 151 HG23 VAL 17 2HG2 VAL 17 -7.518 -1.829 3.391 152 H GLU 18 HN GLU 18 -9.091 -2.469 5.944 153 HA GLU 18 HA GLU 18 -11.137 -3.650 4.203 154 HB2 GLU 18 2HB GLU 18 -12.678 -2.418 5.556 155 HB3 GLU 18 3HB GLU 18 -11.603 -3.270 6.623 156 HG2 GLU 18 2HG GLU 18 -11.362 -0.292 5.915 157 HG3 GLU 18 3HG GLU 18 -12.269 -0.913 7.276 158 HA PRO 19 HA PRO 19 -11.129 0.202 1.770 159 HB2 PRO 19 2HB PRO 19 -13.637 0.275 0.740 160 HB3 PRO 19 3HB PRO 19 -12.420 -0.927 0.228 161 HG2 PRO 19 2HG PRO 19 -14.710 -1.295 2.164 162 HG3 PRO 19 3HG PRO 19 -14.127 -2.413 0.901 163 HD2 PRO 19 2HD PRO 19 -13.473 -2.525 3.607 164 HD3 PRO 19 3HD PRO 19 -12.492 -3.248 2.314 165 H SER 20 HN SER 20 -12.531 2.289 1.610 166 HA SER 20 HA SER 20 -12.836 4.232 2.714 167 HG SER 20 HG SER 20 -15.519 4.361 2.918 168 HB2 SER 20 2HB SER 20 -14.404 2.604 4.721 169 HB3 SER 20 3HB SER 20 -14.372 4.353 4.616 170 H ASP 21 HN ASP 21 -10.589 2.260 3.481 171 HA ASP 21 HA ASP 21 -9.666 3.300 5.922 172 HB2 ASP 21 2HB ASP 21 -8.896 1.227 4.462 173 HB3 ASP 21 3HB ASP 21 -7.728 2.383 3.816 174 H THR 22 HN THR 22 -7.223 4.473 5.738 175 HA THR 22 HA THR 22 -7.292 6.599 3.653 176 HB THR 22 HB THR 22 -5.880 7.953 5.353 177 HG1 THR 22 HG1 THR 22 -6.997 7.402 7.532 178 HG21 THR 22 3HG2 THR 22 -8.191 8.504 4.527 179 HG22 THR 22 1HG2 THR 22 -8.833 7.663 5.958 180 HG23 THR 22 2HG2 THR 22 -7.805 9.110 6.133 181 H ILE 23 HN ILE 23 -5.094 7.407 3.138 182 HA ILE 23 HA ILE 23 -3.665 5.021 2.393 183 HB ILE 23 HB ILE 23 -2.744 7.867 1.962 184 HG12 ILE 23 2HG1 ILE 23 -4.969 7.956 1.147 185 HG13 ILE 23 3HG1 ILE 23 -3.979 7.708 -0.246 186 HG21 ILE 23 1HG2 ILE 23 -1.079 6.202 1.381 187 HG22 ILE 23 2HG2 ILE 23 -2.258 5.327 0.385 188 HG23 ILE 23 3HG2 ILE 23 -1.714 6.973 -0.074 189 HD11 ILE 23 3HD1 ILE 23 -4.623 5.230 -0.170 190 HD12 ILE 23 1HD1 ILE 23 -5.735 5.630 1.143 191 HD13 ILE 23 2HD1 ILE 23 -5.975 6.365 -0.427 192 H GLU 24 HN GLU 24 -3.020 7.625 4.785 193 HA GLU 24 HA GLU 24 -0.495 6.756 5.647 194 HB2 GLU 24 2HB GLU 24 -1.591 8.793 6.509 195 HB3 GLU 24 3HB GLU 24 -2.759 7.791 7.399 196 HG2 GLU 24 2HG GLU 24 -0.902 6.714 8.655 197 HG3 GLU 24 3HG GLU 24 0.278 7.616 7.719 198 H ASN 25 HN ASN 25 -3.767 5.505 6.551 199 HA ASN 25 HA ASN 25 -2.810 3.712 8.527 200 HB2 ASN 25 2HB ASN 25 -5.218 4.558 8.098 201 HB3 ASN 25 3HB ASN 25 -5.296 3.312 6.863 202 HD21 ASN 25 1HD2 ASN 25 -6.220 1.424 7.635 203 HD22 ASN 25 2HD2 ASN 25 -6.467 1.067 9.306 204 H VAL 26 HN VAL 26 -3.770 3.085 5.118 205 HA VAL 26 HA VAL 26 -3.058 0.355 5.148 206 HB VAL 26 HB VAL 26 -3.005 2.276 2.772 207 HG11 VAL 26 1HG1 VAL 26 -3.267 -0.758 2.891 208 HG12 VAL 26 2HG1 VAL 26 -3.552 0.245 1.447 209 HG13 VAL 26 3HG1 VAL 26 -1.940 0.199 2.162 210 HG21 VAL 26 3HG2 VAL 26 -5.193 2.410 3.688 211 HG22 VAL 26 1HG2 VAL 26 -5.350 1.167 2.449 212 HG23 VAL 26 2HG2 VAL 26 -5.178 0.720 4.149 213 H LYS 27 HN LYS 27 -0.946 3.219 4.408 214 HA LYS 27 HA LYS 27 1.232 1.460 3.697 215 HB2 LYS 27 2HB LYS 27 2.648 3.324 3.600 216 HB3 LYS 27 3HB LYS 27 1.104 3.848 2.929 217 HG2 LYS 27 2HG LYS 27 0.588 5.078 4.929 218 HG3 LYS 27 3HG LYS 27 1.957 4.411 5.796 219 HD2 LYS 27 2HD LYS 27 2.517 6.590 5.274 220 HD3 LYS 27 3HD LYS 27 3.493 5.579 4.204 221 HE2 LYS 27 2HE LYS 27 2.150 6.116 2.299 222 HE3 LYS 27 3HE LYS 27 0.847 6.781 3.315 223 HZ1 LYS 27 3HZ LYS 27 2.147 8.582 3.900 224 HZ2 LYS 27 1HZ LYS 27 3.540 7.970 3.253 225 HZ3 LYS 27 2HZ LYS 27 2.290 8.507 2.286 226 H ALA 28 HN ALA 28 0.005 2.778 6.719 227 HA ALA 28 HA ALA 28 2.264 2.248 8.335 228 HB1 ALA 28 1HB ALA 28 0.798 2.534 10.181 229 HB2 ALA 28 2HB ALA 28 0.384 3.742 8.970 230 HB3 ALA 28 3HB ALA 28 -0.634 2.308 9.191 231 H LYS 29 HN LYS 29 -0.624 0.313 7.632 232 HA LYS 29 HA LYS 29 -0.206 -1.896 9.268 233 HB2 LYS 29 2HB LYS 29 -1.118 -1.844 6.353 234 HB3 LYS 29 3HB LYS 29 -1.272 -3.258 7.420 235 HG2 LYS 29 2HG LYS 29 -2.649 -1.907 8.969 236 HG3 LYS 29 3HG LYS 29 -2.528 -0.529 7.892 237 HD2 LYS 29 2HD LYS 29 -4.529 -1.391 7.128 238 HD3 LYS 29 3HD LYS 29 -3.394 -2.171 6.023 239 HE2 LYS 29 2HE LYS 29 -4.736 -3.961 6.874 240 HE3 LYS 29 3HE LYS 29 -3.250 -4.057 7.807 241 HZ1 LYS 29 3HZ LYS 29 -4.627 -2.509 9.418 242 HZ2 LYS 29 1HZ LYS 29 -5.898 -3.256 8.720 243 HZ3 LYS 29 2HZ LYS 29 -4.757 -4.154 9.452 244 H ILE 30 HN ILE 30 0.912 -1.602 5.948 245 HA ILE 30 HA ILE 30 2.584 -3.890 5.937 246 HB ILE 30 HB ILE 30 3.769 -2.100 4.160 247 HG12 ILE 30 2HG1 ILE 30 0.799 -1.782 3.690 248 HG13 ILE 30 3HG1 ILE 30 1.687 -0.610 4.639 249 HG21 ILE 30 1HG2 ILE 30 1.481 -3.857 3.264 250 HG22 ILE 30 2HG2 ILE 30 3.007 -3.495 2.459 251 HG23 ILE 30 3HG2 ILE 30 2.995 -4.551 3.860 252 HD11 ILE 30 3HD1 ILE 30 3.119 -1.224 2.210 253 HD12 ILE 30 1HD1 ILE 30 1.497 -0.622 1.910 254 HD13 ILE 30 2HD1 ILE 30 2.700 0.317 2.883 255 H GLN 31 HN GLN 31 3.374 -0.429 6.649 256 HA GLN 31 HA GLN 31 6.144 -0.624 6.900 257 HB2 GLN 31 2HB GLN 31 3.988 1.042 8.119 258 HB3 GLN 31 3HB GLN 31 5.603 1.208 8.773 259 HG2 GLN 31 2HG GLN 31 6.495 2.036 6.781 260 HG3 GLN 31 3HG GLN 31 5.150 1.395 5.842 261 HE21 GLN 31 1HE2 GLN 31 4.217 3.096 8.795 262 HE22 GLN 31 2HE2 GLN 31 3.612 4.494 7.935 263 H ASP 32 HN ASP 32 3.757 -0.883 9.511 264 HA ASP 32 HA ASP 32 5.561 -1.624 11.573 265 HB2 ASP 32 2HB ASP 32 2.552 -2.036 11.212 266 HB3 ASP 32 3HB ASP 32 3.416 -2.537 12.663 267 H LYS 33 HN LYS 33 3.384 -3.593 9.549 268 HA LYS 33 HA LYS 33 3.891 -6.089 10.750 269 HB2 LYS 33 2HB LYS 33 1.972 -5.425 9.278 270 HB3 LYS 33 3HB LYS 33 3.070 -5.440 7.892 271 HG2 LYS 33 2HG LYS 33 3.466 -7.954 8.684 272 HG3 LYS 33 3HG LYS 33 1.981 -7.709 9.575 273 HD2 LYS 33 2HD LYS 33 1.463 -8.728 7.445 274 HD3 LYS 33 3HD LYS 33 0.774 -7.116 7.531 275 HE2 LYS 33 2HE LYS 33 1.861 -7.881 5.336 276 HE3 LYS 33 3HE LYS 33 2.217 -6.250 5.926 277 HZ1 LYS 33 3HZ LYS 33 4.211 -7.361 5.158 278 HZ2 LYS 33 1HZ LYS 33 4.317 -7.033 6.751 279 HZ3 LYS 33 2HZ LYS 33 4.018 -8.566 6.294 280 H GLU 34 HN GLU 34 5.565 -4.476 8.016 281 HA GLU 34 HA GLU 34 7.317 -6.743 7.466 282 HB2 GLU 34 2HB GLU 34 6.550 -4.927 5.840 283 HB3 GLU 34 3HB GLU 34 7.557 -3.803 6.734 284 HG2 GLU 34 2HG GLU 34 9.116 -4.306 5.204 285 HG3 GLU 34 3HG GLU 34 9.411 -5.753 6.177 286 H GLY 35 HN GLY 35 7.458 -3.624 9.283 287 HA2 GLY 35 1HA GLY 35 8.597 -3.494 11.394 288 HA3 GLY 35 2HA GLY 35 9.841 -4.608 10.783 289 H ILE 36 HN ILE 36 8.330 -1.672 9.328 290 HA ILE 36 HA ILE 36 10.977 -0.402 9.137 291 HB ILE 36 HB ILE 36 10.613 -1.586 7.107 292 HG12 ILE 36 2HG1 ILE 36 10.246 1.391 6.590 293 HG13 ILE 36 3HG1 ILE 36 11.756 0.591 7.068 294 HG21 ILE 36 1HG2 ILE 36 8.120 -1.668 7.072 295 HG22 ILE 36 2HG2 ILE 36 8.133 0.020 6.495 296 HG23 ILE 36 3HG2 ILE 36 8.849 -1.295 5.538 297 HD11 ILE 36 3HD1 ILE 36 11.854 0.748 4.715 298 HD12 ILE 36 1HD1 ILE 36 11.478 -0.944 5.044 299 HD13 ILE 36 2HD1 ILE 36 10.198 0.172 4.499 300 HA PRO 37 HA PRO 37 8.467 2.985 10.714 301 HB2 PRO 37 2HB PRO 37 10.516 4.667 9.316 302 HB3 PRO 37 3HB PRO 37 9.882 4.823 10.982 303 HG2 PRO 37 2HG PRO 37 12.308 3.726 10.559 304 HG3 PRO 37 3HG PRO 37 11.150 2.955 11.705 305 HD2 PRO 37 2HD PRO 37 11.707 2.227 8.818 306 HD3 PRO 37 3HD PRO 37 11.632 1.167 10.263 307 HA PRO 38 HA PRO 38 6.553 5.168 7.033 308 HB2 PRO 38 2HB PRO 38 5.577 7.414 8.271 309 HB3 PRO 38 3HB PRO 38 4.846 5.859 8.591 310 HG2 PRO 38 2HG PRO 38 6.965 7.225 10.257 311 HG3 PRO 38 3HG PRO 38 5.392 6.540 10.792 312 HD2 PRO 38 2HD PRO 38 7.684 5.123 10.997 313 HD3 PRO 38 3HD PRO 38 6.146 4.341 10.535 314 H ASP 39 HN ASP 39 9.386 5.213 7.399 315 HA ASP 39 HA ASP 39 10.033 8.088 6.866 316 HB2 ASP 39 2HB ASP 39 11.960 8.035 7.929 317 HB3 ASP 39 3HB ASP 39 11.206 6.789 8.899 318 H GLN 40 HN GLN 40 10.859 4.662 6.043 319 HA GLN 40 HA GLN 40 11.033 5.567 3.233 320 HB2 GLN 40 2HB GLN 40 13.268 5.151 4.404 321 HB3 GLN 40 3HB GLN 40 12.799 3.447 4.508 322 HG2 GLN 40 2HG GLN 40 14.129 3.650 2.557 323 HG3 GLN 40 3HG GLN 40 12.487 3.530 1.949 324 HE21 GLN 40 1HE2 GLN 40 15.331 5.317 1.761 325 HE22 GLN 40 2HE2 GLN 40 14.657 6.909 1.442 326 H GLN 41 HN GLN 41 8.661 4.969 3.518 327 HA GLN 41 HA GLN 41 8.503 2.293 2.272 328 HB2 GLN 41 2HB GLN 41 7.657 2.281 4.703 329 HB3 GLN 41 3HB GLN 41 6.400 3.394 4.151 330 HG2 GLN 41 2HG GLN 41 5.200 1.497 3.770 331 HG3 GLN 41 3HG GLN 41 6.090 1.403 2.315 332 HE21 GLN 41 1HE2 GLN 41 5.130 -0.481 4.805 333 HE22 GLN 41 2HE2 GLN 41 6.255 -1.787 4.488 334 H ARG 42 HN ARG 42 6.667 2.239 0.732 335 HA ARG 42 HA ARG 42 5.649 4.887 -0.135 336 HE ARG 42 HE ARG 42 6.760 6.942 -1.632 337 HB2 ARG 42 2HB ARG 42 6.751 2.649 -1.894 338 HB3 ARG 42 3HB ARG 42 5.725 3.941 -2.495 339 HG2 ARG 42 2HG ARG 42 7.937 5.136 -1.043 340 HG3 ARG 42 3HG ARG 42 8.548 3.983 -2.211 341 HD2 ARG 42 2HD ARG 42 8.420 5.948 -3.429 342 HD3 ARG 42 3HD ARG 42 6.967 5.089 -3.928 343 HH11 ARG 42 2HH2 ARG 42 6.205 6.633 -5.175 344 HH12 ARG 42 1HH2 ARG 42 5.304 8.115 -5.236 345 HH21 ARG 42 2HH1 ARG 42 5.617 8.852 -1.786 346 HH22 ARG 42 1HH1 ARG 42 4.848 9.351 -3.240 347 H LEU 43 HN LEU 43 3.774 4.504 -1.642 348 HA LEU 43 HA LEU 43 2.248 2.068 -1.319 349 HG LEU 43 HG LEU 43 -0.403 3.406 1.053 350 HB2 LEU 43 2HB LEU 43 1.824 4.077 0.581 351 HB3 LEU 43 3HB LEU 43 0.755 4.627 -0.668 352 HD11 LEU 43 1HD1 LEU 43 -0.398 1.974 -1.622 353 HD12 LEU 43 2HD1 LEU 43 -1.514 1.575 -0.292 354 HD13 LEU 43 3HD1 LEU 43 -1.535 3.190 -0.984 355 HD21 LEU 43 3HD2 LEU 43 0.058 1.219 1.701 356 HD22 LEU 43 1HD2 LEU 43 1.067 0.888 0.288 357 HD23 LEU 43 2HD2 LEU 43 1.662 1.967 1.547 358 H ILE 44 HN ILE 44 1.947 1.834 -3.666 359 HA ILE 44 HA ILE 44 0.705 4.053 -5.169 360 HB ILE 44 HB ILE 44 3.030 2.387 -6.123 361 HG12 ILE 44 2HG1 ILE 44 3.552 4.580 -4.981 362 HG13 ILE 44 3HG1 ILE 44 4.067 4.480 -6.653 363 HG21 ILE 44 1HG2 ILE 44 1.313 2.296 -7.863 364 HG22 ILE 44 2HG2 ILE 44 1.064 4.035 -7.787 365 HG23 ILE 44 3HG2 ILE 44 2.615 3.388 -8.359 366 HD11 ILE 44 3HD1 ILE 44 3.095 6.675 -6.064 367 HD12 ILE 44 1HD1 ILE 44 2.322 5.910 -7.426 368 HD13 ILE 44 2HD1 ILE 44 1.515 5.918 -5.822 369 H PHE 45 HN PHE 45 -1.229 3.307 -5.861 370 HA PHE 45 HA PHE 45 -1.954 0.485 -5.701 371 HD1 PHE 45 HD1 PHE 45 -4.241 -0.341 -5.058 372 HD2 PHE 45 HD2 PHE 45 -4.004 3.793 -4.061 373 HE1 PHE 45 HE1 PHE 45 -4.555 -0.949 -2.699 374 HE2 PHE 45 HE2 PHE 45 -4.085 3.171 -1.620 375 HZ PHE 45 HZ PHE 45 -4.336 0.816 -0.952 376 HB2 PHE 45 2HB PHE 45 -3.469 3.034 -6.370 377 HB3 PHE 45 3HB PHE 45 -4.133 1.455 -6.788 378 H ALA 46 HN ALA 46 -3.216 2.052 -8.549 379 HA ALA 46 HA ALA 46 -1.918 0.074 -10.179 380 HB1 ALA 46 1HB ALA 46 -3.750 2.390 -10.817 381 HB2 ALA 46 2HB ALA 46 -3.118 1.243 -12.024 382 HB3 ALA 46 3HB ALA 46 -4.132 0.670 -10.691 383 H GLY 47 HN GLY 47 -1.866 3.612 -10.884 384 HA2 GLY 47 1HA GLY 47 1.120 3.549 -10.925 385 HA3 GLY 47 2HA GLY 47 0.231 3.950 -12.394 386 H LYS 48 HN LYS 48 -1.688 5.259 -10.095 387 HA LYS 48 HA LYS 48 -0.871 7.942 -10.622 388 HB2 LYS 48 2HB LYS 48 -2.705 8.474 -8.985 389 HB3 LYS 48 3HB LYS 48 -3.217 7.354 -10.238 390 HG2 LYS 48 2HG LYS 48 -2.928 5.445 -8.633 391 HG3 LYS 48 3HG LYS 48 -2.444 6.570 -7.371 392 HD2 LYS 48 2HD LYS 48 -5.166 6.672 -8.731 393 HD3 LYS 48 3HD LYS 48 -4.784 5.710 -7.309 394 HE2 LYS 48 2HE LYS 48 -5.525 7.486 -6.196 395 HE3 LYS 48 3HE LYS 48 -3.843 7.992 -6.337 396 HZ1 LYS 48 3HZ LYS 48 -6.178 8.964 -7.874 397 HZ2 LYS 48 1HZ LYS 48 -5.128 9.817 -6.947 398 HZ3 LYS 48 2HZ LYS 48 -4.645 9.247 -8.385 399 H GLN 49 HN GLN 49 -0.152 9.574 -9.081 400 HA GLN 49 HA GLN 49 1.383 8.841 -6.751 401 HB2 GLN 49 2HB GLN 49 -0.229 11.410 -7.060 402 HB3 GLN 49 3HB GLN 49 1.183 11.115 -6.060 403 HG2 GLN 49 2HG GLN 49 2.229 12.245 -7.726 404 HG3 GLN 49 3HG GLN 49 2.302 10.658 -8.484 405 HE21 GLN 49 1HE2 GLN 49 1.111 13.896 -8.758 406 HE22 GLN 49 2HE2 GLN 49 0.020 13.661 -10.104 407 H LEU 50 HN LEU 50 0.551 8.036 -4.846 408 HA LEU 50 HA LEU 50 -2.117 7.151 -4.889 409 HG LEU 50 HG LEU 50 -1.420 5.361 -1.705 410 HB2 LEU 50 2HB LEU 50 0.050 6.358 -3.603 411 HB3 LEU 50 3HB LEU 50 -0.557 7.356 -2.309 412 HD11 LEU 50 1HD1 LEU 50 -3.623 6.108 -3.686 413 HD12 LEU 50 2HD1 LEU 50 -3.787 5.189 -2.192 414 HD13 LEU 50 3HD1 LEU 50 -3.369 6.883 -2.110 415 HD21 LEU 50 3HD2 LEU 50 -1.903 3.542 -3.150 416 HD22 LEU 50 1HD2 LEU 50 -1.845 4.614 -4.604 417 HD23 LEU 50 2HD2 LEU 50 -0.439 4.249 -3.568 418 H GLU 51 HN GLU 51 -0.575 9.590 -2.828 419 HA GLU 51 HA GLU 51 -1.178 11.493 -1.903 420 HB2 GLU 51 2HB GLU 51 -2.304 11.693 -4.290 421 HB3 GLU 51 3HB GLU 51 -3.807 11.653 -3.364 422 HG2 GLU 51 2HG GLU 51 -3.198 13.948 -3.710 423 HG3 GLU 51 3HG GLU 51 -2.951 13.589 -2.004 424 H ASP 52 HN ASP 52 -1.653 11.617 0.121 425 HA ASP 52 HA ASP 52 -3.403 9.808 1.574 426 HB2 ASP 52 2HB ASP 52 -0.996 10.589 2.109 427 HB3 ASP 52 3HB ASP 52 -1.696 12.148 2.523 428 H GLY 53 HN GLY 53 -4.715 11.528 -0.244 429 HA2 GLY 53 1HA GLY 53 -6.297 13.425 1.428 430 HA3 GLY 53 2HA GLY 53 -5.714 13.836 -0.191 431 H ARG 54 HN ARG 54 -6.732 10.489 0.425 432 HA ARG 54 HA ARG 54 -9.436 10.995 -0.523 433 HE ARG 54 HE ARG 54 -10.136 12.273 -4.607 434 HB2 ARG 54 2HB ARG 54 -7.319 9.589 -2.139 435 HB3 ARG 54 3HB ARG 54 -8.895 8.800 -2.102 436 HG2 ARG 54 2HG ARG 54 -8.484 11.687 -2.907 437 HG3 ARG 54 3HG ARG 54 -8.545 10.349 -4.048 438 HD2 ARG 54 2HD ARG 54 -10.828 9.884 -3.611 439 HD3 ARG 54 3HD ARG 54 -10.845 10.868 -2.140 440 HH11 ARG 54 2HH2 ARG 54 -12.984 11.378 -2.660 441 HH12 ARG 54 1HH2 ARG 54 -13.755 12.905 -2.889 442 HH21 ARG 54 2HH1 ARG 54 -11.375 14.221 -5.098 443 HH22 ARG 54 1HH1 ARG 54 -12.965 14.348 -4.414 444 H THR 55 HN THR 55 -10.799 9.262 -0.188 445 HA THR 55 HA THR 55 -10.067 7.512 1.995 446 HB THR 55 HB THR 55 -12.195 8.519 2.068 447 HG1 THR 55 HG1 THR 55 -13.099 6.770 2.613 448 HG21 THR 55 3HG2 THR 55 -12.791 7.590 -0.767 449 HG22 THR 55 1HG2 THR 55 -13.974 8.275 0.369 450 HG23 THR 55 2HG2 THR 55 -12.642 9.267 -0.192 451 H LEU 56 HN LEU 56 -9.899 5.378 1.878 452 HA LEU 56 HA LEU 56 -9.320 3.888 -0.517 453 HG LEU 56 HG LEU 56 -8.305 1.333 1.988 454 HB2 LEU 56 2HB LEU 56 -9.227 3.548 2.256 455 HB3 LEU 56 3HB LEU 56 -10.403 2.354 1.731 456 HD11 LEU 56 1HD1 LEU 56 -8.956 1.742 -0.915 457 HD12 LEU 56 2HD1 LEU 56 -7.976 0.432 -0.232 458 HD13 LEU 56 3HD1 LEU 56 -9.679 0.571 0.190 459 HD21 LEU 56 3HD2 LEU 56 -6.289 2.163 0.710 460 HD22 LEU 56 1HD2 LEU 56 -7.220 3.666 0.348 461 HD23 LEU 56 2HD2 LEU 56 -6.847 3.236 1.987 462 H SER 57 HN SER 57 -12.307 5.154 0.640 463 HA SER 57 HA SER 57 -14.074 3.079 -0.284 464 HG SER 57 HG SER 57 -16.366 3.991 0.295 465 HB2 SER 57 2HB SER 57 -14.614 5.033 1.254 466 HB3 SER 57 3HB SER 57 -14.494 6.089 -0.158 467 H ASP 58 HN ASP 58 -12.209 5.737 -1.778 468 HA ASP 58 HA ASP 58 -13.675 5.675 -4.288 469 HB2 ASP 58 2HB ASP 58 -12.467 7.645 -3.139 470 HB3 ASP 58 3HB ASP 58 -10.982 7.000 -3.779 471 H TYR 59 HN TYR 59 -10.376 5.085 -3.299 472 HA TYR 59 HA TYR 59 -9.440 3.780 -5.608 473 HD1 TYR 59 HD2 TYR 59 -9.011 5.970 -5.698 474 HD2 TYR 59 HD1 TYR 59 -6.522 5.176 -2.259 475 HE1 TYR 59 HE2 TYR 59 -8.059 8.201 -5.880 476 HE2 TYR 59 HE1 TYR 59 -5.551 7.458 -2.456 477 HH TYR 59 HH TYR 59 -5.209 9.170 -3.933 478 HB2 TYR 59 2HB TYR 59 -8.557 3.819 -2.751 479 HB3 TYR 59 3HB TYR 59 -7.542 3.268 -4.118 480 H ASN 60 HN ASN 60 -9.649 2.025 -2.516 481 HA ASN 60 HA ASN 60 -10.959 0.429 -1.741 482 HB2 ASN 60 2HB ASN 60 -12.584 1.844 -3.208 483 HB3 ASN 60 3HB ASN 60 -12.642 0.422 -4.230 484 HD21 ASN 60 1HD2 ASN 60 -14.441 1.938 -2.044 485 HD22 ASN 60 2HD2 ASN 60 -15.138 0.576 -1.169 486 H ILE 61 HN ILE 61 -10.481 -0.429 -5.101 487 HA ILE 61 HA ILE 61 -9.762 -2.621 -5.866 488 HB ILE 61 HB ILE 61 -7.572 -2.063 -6.189 489 HG12 ILE 61 2HG1 ILE 61 -6.467 -1.589 -4.038 490 HG13 ILE 61 3HG1 ILE 61 -6.439 -0.190 -5.070 491 HG21 ILE 61 1HG2 ILE 61 -8.546 0.712 -5.702 492 HG22 ILE 61 2HG2 ILE 61 -7.761 0.003 -7.058 493 HG23 ILE 61 3HG2 ILE 61 -9.450 -0.350 -6.819 494 HD11 ILE 61 3HD1 ILE 61 -7.830 1.023 -3.645 495 HD12 ILE 61 1HD1 ILE 61 -8.371 -0.473 -2.759 496 HD13 ILE 61 2HD1 ILE 61 -6.818 0.119 -2.561 497 H GLN 62 HN GLN 62 -10.585 -4.421 -4.593 498 HA GLN 62 HA GLN 62 -8.682 -5.301 -2.423 499 HB2 GLN 62 2HB GLN 62 -10.500 -6.691 -1.696 500 HB3 GLN 62 3HB GLN 62 -10.935 -4.989 -1.710 501 HG2 GLN 62 2HG GLN 62 -12.220 -5.303 -3.785 502 HG3 GLN 62 3HG GLN 62 -11.748 -7.007 -3.839 503 HE21 GLN 62 1HE2 GLN 62 -14.499 -5.977 -3.692 504 HE22 GLN 62 2HE2 GLN 62 -15.140 -6.584 -2.181 505 H LYS 63 HN LYS 63 -7.934 -5.671 -5.237 506 HA LYS 63 HA LYS 63 -7.397 -8.505 -5.139 507 HB2 LYS 63 2HB LYS 63 -9.881 -8.373 -5.901 508 HB3 LYS 63 3HB LYS 63 -9.340 -7.550 -7.314 509 HG2 LYS 63 2HG LYS 63 -9.323 -9.629 -8.204 510 HG3 LYS 63 3HG LYS 63 -7.715 -9.724 -7.504 511 HD2 LYS 63 2HD LYS 63 -8.962 -11.739 -6.998 512 HD3 LYS 63 3HD LYS 63 -8.683 -10.849 -5.484 513 HE2 LYS 63 2HE LYS 63 -10.906 -10.466 -5.143 514 HE3 LYS 63 3HE LYS 63 -11.185 -10.038 -6.830 515 HZ1 LYS 63 3HZ LYS 63 -11.243 -12.381 -7.374 516 HZ2 LYS 63 1HZ LYS 63 -11.040 -12.776 -5.785 517 HZ3 LYS 63 2HZ LYS 63 -12.405 -11.972 -6.279 518 H GLU 64 HN GLU 64 -8.070 -6.170 -7.775 519 HA GLU 64 HA GLU 64 -5.765 -6.908 -9.277 520 HB2 GLU 64 2HB GLU 64 -8.087 -5.784 -9.856 521 HB3 GLU 64 3HB GLU 64 -7.276 -4.250 -9.571 522 HG2 GLU 64 2HG GLU 64 -6.017 -6.338 -11.391 523 HG3 GLU 64 3HG GLU 64 -7.458 -5.505 -11.933 524 H SER 65 HN SER 65 -6.439 -4.587 -6.911 525 HA SER 65 HA SER 65 -4.808 -2.535 -6.680 526 HG SER 65 HG SER 65 -6.147 -5.011 -3.794 527 HB2 SER 65 2HB SER 65 -4.815 -3.210 -4.238 528 HB3 SER 65 3HB SER 65 -6.359 -3.280 -5.088 529 H THR 66 HN THR 66 -3.813 -5.598 -5.401 530 HA THR 66 HA THR 66 -1.820 -6.111 -4.398 531 HB THR 66 HB THR 66 -0.526 -7.402 -5.906 532 HG1 THR 66 HG1 THR 66 -0.506 -5.578 -7.507 533 HG21 THR 66 3HG2 THR 66 -3.157 -7.434 -7.394 534 HG22 THR 66 1HG2 THR 66 -2.139 -8.788 -6.866 535 HG23 THR 66 2HG2 THR 66 -3.142 -7.894 -5.705 536 H LEU 67 HN LEU 67 -1.398 -3.891 -3.601 537 HA LEU 67 HA LEU 67 -0.384 -2.064 -5.494 538 HG LEU 67 HG LEU 67 -0.529 -0.375 -1.694 539 HB2 LEU 67 2HB LEU 67 -0.856 -0.498 -4.021 540 HB3 LEU 67 3HB LEU 67 -1.672 -1.761 -3.188 541 HD11 LEU 67 1HD1 LEU 67 0.592 -1.854 -0.296 542 HD12 LEU 67 2HD1 LEU 67 -0.549 -2.863 -1.217 543 HD13 LEU 67 3HD1 LEU 67 1.164 -2.863 -1.610 544 HD21 LEU 67 3HD2 LEU 67 1.169 0.509 -3.139 545 HD22 LEU 67 1HD2 LEU 67 1.759 0.074 -1.546 546 HD23 LEU 67 2HD2 LEU 67 2.176 -0.929 -2.926 547 H HIS 68 HN HIS 68 1.640 -1.401 -6.077 548 HA HIS 68 HA HIS 68 3.658 -3.453 -5.384 549 HD1 HIS 68 HD1 HIS 68 1.644 -0.869 -8.463 550 HD2 HIS 68 HD2 HIS 68 5.808 -0.423 -7.832 551 HE1 HIS 68 HE1 HIS 68 2.327 1.289 -9.585 552 HB2 HIS 68 2HB HIS 68 4.851 -2.777 -7.317 553 HB3 HIS 68 3HB HIS 68 3.180 -3.123 -7.733 554 H LEU 69 HN LEU 69 4.731 -3.026 -3.609 555 HA LEU 69 HA LEU 69 5.318 -0.338 -2.601 556 HG LEU 69 HG LEU 69 5.330 -2.809 0.266 557 HB2 LEU 69 2HB LEU 69 5.960 -3.194 -1.890 558 HB3 LEU 69 3HB LEU 69 7.099 -2.000 -1.390 559 HD11 LEU 69 1HD1 LEU 69 5.867 0.154 -0.177 560 HD12 LEU 69 2HD1 LEU 69 5.218 -0.552 1.321 561 HD13 LEU 69 3HD1 LEU 69 6.842 -0.987 0.771 562 HD21 LEU 69 3HD2 LEU 69 3.447 -2.318 -1.455 563 HD22 LEU 69 1HD2 LEU 69 3.173 -1.915 0.227 564 HD23 LEU 69 2HD2 LEU 69 3.647 -0.631 -0.911 565 H VAL 70 HN VAL 70 7.432 0.569 -2.675 566 HA VAL 70 HA VAL 70 9.563 -0.701 -4.108 567 HB VAL 70 HB VAL 70 10.095 1.484 -5.312 568 HG11 VAL 70 1HG1 VAL 70 7.679 0.026 -6.424 569 HG12 VAL 70 2HG1 VAL 70 8.940 0.895 -7.322 570 HG13 VAL 70 3HG1 VAL 70 9.351 -0.586 -6.467 571 HG21 VAL 70 3HG2 VAL 70 8.247 2.926 -6.055 572 HG22 VAL 70 1HG2 VAL 70 7.104 2.019 -5.055 573 HG23 VAL 70 2HG2 VAL 70 8.402 2.973 -4.296 574 H LEU 71 HN LEU 71 11.577 0.288 -3.329 575 HA LEU 71 HA LEU 71 11.109 1.727 -0.760 576 HG LEU 71 HG LEU 71 12.631 1.659 0.852 577 HB2 LEU 71 2HB LEU 71 12.240 -0.460 -0.729 578 HB3 LEU 71 3HB LEU 71 13.599 0.221 -1.633 579 HD11 LEU 71 1HD1 LEU 71 13.910 0.287 2.352 580 HD12 LEU 71 2HD1 LEU 71 12.670 -0.674 1.559 581 HD13 LEU 71 3HD1 LEU 71 14.364 -0.821 1.031 582 HD21 LEU 71 3HD2 LEU 71 15.396 1.140 -0.331 583 HD22 LEU 71 1HD2 LEU 71 14.492 2.680 -0.370 584 HD23 LEU 71 2HD2 LEU 71 15.083 2.040 1.162 585 H ARG 72 HN ARG 72 13.464 1.807 -3.509 586 HA ARG 72 HA ARG 72 14.223 4.551 -3.112 587 HE ARG 72 HE ARG 72 15.875 3.106 -8.508 588 HB2 ARG 72 2HB ARG 72 15.069 4.435 -5.396 589 HB3 ARG 72 3HB ARG 72 15.566 3.077 -4.398 590 HG2 ARG 72 2HG ARG 72 13.686 1.727 -5.556 591 HG3 ARG 72 3HG ARG 72 13.561 3.084 -6.683 592 HD2 ARG 72 2HD ARG 72 16.359 2.384 -6.397 593 HD3 ARG 72 3HD ARG 72 15.470 0.891 -6.627 594 HH11 ARG 72 2HH2 ARG 72 14.047 0.106 -7.936 595 HH12 ARG 72 1HH2 ARG 72 13.419 0.010 -9.537 596 HH21 ARG 72 2HH1 ARG 72 15.157 2.996 -10.514 597 HH22 ARG 72 1HH1 ARG 72 14.029 1.763 -11.080 598 H LEU 73 HN LEU 73 13.039 6.363 -3.407 599 HA LEU 73 HA LEU 73 10.265 6.092 -4.225 600 HG LEU 73 HG LEU 73 8.893 8.023 -3.915 601 HB2 LEU 73 2HB LEU 73 10.950 7.435 -2.279 602 HB3 LEU 73 3HB LEU 73 11.809 8.571 -3.318 603 HD11 LEU 73 1HD1 LEU 73 8.942 8.290 -1.456 604 HD12 LEU 73 2HD1 LEU 73 9.814 9.828 -1.651 605 HD13 LEU 73 3HD1 LEU 73 8.154 9.668 -2.247 606 HD21 LEU 73 3HD2 LEU 73 10.521 10.590 -3.956 607 HD22 LEU 73 1HD2 LEU 73 10.090 9.608 -5.377 608 HD23 LEU 73 2HD2 LEU 73 8.832 10.417 -4.453 609 H ARG 74 HN ARG 74 12.970 8.155 -5.345 610 HA ARG 74 HA ARG 74 11.824 8.533 -8.025 611 HE ARG 74 HE ARG 74 15.295 11.492 -8.825 612 HB2 ARG 74 2HB ARG 74 14.584 8.968 -6.807 613 HB3 ARG 74 3HB ARG 74 14.312 9.089 -8.543 614 HG2 ARG 74 2HG ARG 74 12.854 10.950 -8.341 615 HG3 ARG 74 3HG ARG 74 12.509 10.600 -6.653 616 HD2 ARG 74 2HD ARG 74 13.809 12.515 -6.592 617 HD3 ARG 74 3HD ARG 74 14.882 11.216 -6.071 618 HH11 ARG 74 2HH2 ARG 74 15.715 13.423 -5.853 619 HH12 ARG 74 1HH2 ARG 74 16.668 14.643 -6.558 620 HH21 ARG 74 2HH1 ARG 74 16.974 12.822 -9.643 621 HH22 ARG 74 1HH1 ARG 74 17.638 14.134 -8.745 622 H GLY 75 HN GLY 75 12.138 7.118 -9.736 623 HA2 GLY 75 1HA GLY 75 12.751 4.354 -8.809 624 HA3 GLY 75 2HA GLY 75 11.116 4.908 -9.218 625 H GLY 76 HN GLY 76 14.373 5.180 -10.630 626 HA2 GLY 76 1HA GLY 76 14.694 3.795 -12.815 627 HA3 GLY 76 2HA GLY 76 13.300 4.793 -13.366
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