NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640083 | 6p6b | 30613 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 0.611 -3.303 -2.468 2 H2 MET 1 2H MET 1 1.538 -2.148 -3.155 3 H3 MET 1 3H MET 1 1.687 -2.473 -1.562 4 HA MET 1 HA MET 1 -0.647 -1.341 -2.883 5 HB2 MET 1 1HB MET 1 -0.113 -2.014 0.035 6 HB3 MET 1 2HB MET 1 -1.464 -1.035 -0.519 7 HG2 MET 1 1HG MET 1 -0.961 -3.929 -1.274 8 HG3 MET 1 2HG MET 1 -2.121 -3.355 -0.073 9 HE1 MET 1 1HE MET 1 -2.656 -3.605 -4.572 10 HE2 MET 1 2HE MET 1 -1.093 -3.092 -3.890 11 HE3 MET 1 3HE MET 1 -1.770 -4.684 -3.468 12 H ALA 2 H ALA 2 1.945 -0.832 -0.473 13 HA ALA 2 HA ALA 2 1.631 2.004 -0.372 14 HB1 ALA 2 1HB ALA 2 3.886 2.001 0.645 15 HB2 ALA 2 2HB ALA 2 2.841 0.748 1.355 16 HB3 ALA 2 3HB ALA 2 4.089 0.298 0.170 17 H GLU 3 H GLU 3 3.462 -0.122 -2.505 18 HA GLU 3 HA GLU 3 5.026 1.904 -3.774 19 HB2 GLU 3 1HB GLU 3 3.996 -0.750 -4.858 20 HB3 GLU 3 2HB GLU 3 5.216 0.245 -5.640 21 HG2 GLU 3 1HG GLU 3 6.483 -1.336 -4.546 22 HG3 GLU 3 2HG GLU 3 6.529 0.022 -3.424 23 H TYR 4 H TYR 4 1.770 0.641 -4.407 24 HA TYR 4 HA TYR 4 1.301 2.039 -6.837 25 HB2 TYR 4 1HB TYR 4 -0.200 0.272 -6.111 26 HB3 TYR 4 2HB TYR 4 -0.602 1.146 -4.639 27 HD1 TYR 4 HD1 TYR 4 -0.675 1.627 -8.358 28 HD2 TYR 4 HD2 TYR 4 -2.563 2.347 -4.573 29 HE1 TYR 4 HE1 TYR 4 -2.582 2.696 -9.512 30 HE2 TYR 4 HE2 TYR 4 -4.470 3.415 -5.727 31 HH TYR 4 HH TYR 4 -5.357 3.982 -7.676 32 H GLY 5 H GLY 5 0.482 2.968 -3.478 33 HA2 GLY 5 1HA GLY 5 -0.553 5.542 -4.088 34 HA3 GLY 5 2HA GLY 5 0.118 5.057 -2.542 35 H THR 6 H THR 6 2.759 4.430 -3.362 36 HA THR 6 HA THR 6 3.994 6.982 -3.245 37 HB THR 6 HB THR 6 5.154 4.312 -4.154 38 HG1 THR 6 HG1 THR 6 4.474 4.206 -2.028 39 HG21 THR 6 1HG2 THR 6 7.334 5.323 -3.610 40 HG22 THR 6 2HG2 THR 6 6.522 6.225 -4.912 41 HG23 THR 6 3HG2 THR 6 6.533 6.871 -3.255 42 H LEU 7 H LEU 7 3.503 4.774 -6.007 43 HA LEU 7 HA LEU 7 4.821 6.340 -7.958 44 HB2 LEU 7 1HB LEU 7 4.111 4.045 -8.378 45 HB3 LEU 7 2HB LEU 7 2.413 4.504 -8.213 46 HG LEU 7 HG LEU 7 2.587 5.881 -10.259 47 HD11 LEU 7 1HD1 LEU 7 4.610 5.741 -11.642 48 HD12 LEU 7 2HD1 LEU 7 4.943 6.492 -10.064 49 HD13 LEU 7 3HD1 LEU 7 5.419 4.804 -10.364 50 HD21 LEU 7 1HD2 LEU 7 2.822 3.989 -11.833 51 HD22 LEU 7 2HD2 LEU 7 3.606 3.025 -10.558 52 HD23 LEU 7 3HD2 LEU 7 1.902 3.508 -10.387 53 H LEU 8 H LEU 8 1.435 6.411 -6.846 54 HA LEU 8 HA LEU 8 0.467 8.267 -8.748 55 HB2 LEU 8 1HB LEU 8 -0.372 7.813 -5.863 56 HB3 LEU 8 2HB LEU 8 -1.291 8.762 -7.035 57 HG LEU 8 HG LEU 8 -0.708 5.785 -7.219 58 HD11 LEU 8 1HD1 LEU 8 -3.119 5.564 -6.817 59 HD12 LEU 8 2HD1 LEU 8 -2.297 6.364 -5.457 60 HD13 LEU 8 3HD1 LEU 8 -3.248 7.326 -6.614 61 HD21 LEU 8 1HD2 LEU 8 -2.247 5.869 -9.151 62 HD22 LEU 8 2HD2 LEU 8 -2.364 7.637 -8.982 63 HD23 LEU 8 3HD2 LEU 8 -0.813 6.887 -9.430 64 H GLN 9 H GLN 9 2.074 8.771 -5.622 65 HA GLN 9 HA GLN 9 1.787 11.635 -5.634 66 HB2 GLN 9 1HB GLN 9 3.748 9.791 -4.217 67 HB3 GLN 9 2HB GLN 9 3.692 11.528 -3.957 68 HG2 GLN 9 1HG GLN 9 1.417 11.375 -3.122 69 HG3 GLN 9 2HG GLN 9 1.395 9.622 -3.465 70 HE21 GLN 9 1HE2 GLN 9 2.061 9.913 0.121 71 HE22 GLN 9 2HE2 GLN 9 0.756 10.200 -0.982 72 H ASP 10 H ASP 10 4.362 9.427 -6.718 73 HA ASP 10 HA ASP 10 6.199 11.461 -7.513 74 HB2 ASP 10 1HB ASP 10 5.794 8.596 -8.441 75 HB3 ASP 10 2HB ASP 10 7.088 9.616 -9.057 76 H LEU 11 H LEU 11 3.510 9.878 -9.199 77 HA LEU 11 HA LEU 11 3.975 11.149 -11.734 78 HB2 LEU 11 1HB LEU 11 1.472 9.993 -10.461 79 HB3 LEU 11 2HB LEU 11 1.538 10.591 -12.122 80 HG LEU 11 HG LEU 11 3.249 8.317 -11.060 81 HD11 LEU 11 1HD1 LEU 11 1.698 6.858 -12.281 82 HD12 LEU 11 2HD1 LEU 11 0.877 7.744 -10.974 83 HD13 LEU 11 3HD1 LEU 11 0.677 8.264 -12.664 84 HD21 LEU 11 1HD2 LEU 11 3.642 7.913 -13.467 85 HD22 LEU 11 2HD2 LEU 11 2.649 9.334 -13.868 86 HD23 LEU 11 3HD2 LEU 11 4.185 9.541 -12.994 87 H THR 12 H THR 12 1.967 11.982 -8.911 88 HA THR 12 HA THR 12 0.606 14.183 -10.025 89 HB THR 12 HB THR 12 1.547 13.801 -7.150 90 HG1 THR 12 HG1 THR 12 0.178 12.131 -7.914 91 HG21 THR 12 1HG2 THR 12 -0.287 15.347 -6.588 92 HG22 THR 12 2HG2 THR 12 0.913 16.139 -7.636 93 HG23 THR 12 3HG2 THR 12 -0.630 15.576 -8.318 94 H ASN 13 H ASN 13 3.830 14.000 -8.560 95 HA ASN 13 HA ASN 13 4.258 16.836 -8.468 96 HB2 ASN 13 1HB ASN 13 6.148 14.469 -8.475 97 HB3 ASN 13 2HB ASN 13 6.711 16.131 -8.362 98 HD21 ASN 13 1HD2 ASN 13 6.278 14.627 -4.966 99 HD22 ASN 13 2HD2 ASN 13 7.107 14.136 -6.406 100 H ASN 14 H ASN 14 4.292 14.570 -11.050 101 HA ASN 14 HA ASN 14 5.886 16.443 -12.736 102 HB2 ASN 14 1HB ASN 14 5.189 13.511 -13.054 103 HB3 ASN 14 2HB ASN 14 5.905 14.469 -14.343 104 HD21 ASN 14 1HD2 ASN 14 8.162 12.986 -11.357 105 HD22 ASN 14 2HD2 ASN 14 6.461 12.687 -11.497 106 H ILE 15 H ILE 15 2.885 16.382 -11.871 107 HA ILE 15 HA ILE 15 1.838 16.756 -14.645 108 HB ILE 15 HB ILE 15 0.365 16.007 -12.086 109 HG12 ILE 15 1HG1 ILE 15 0.568 14.494 -14.694 110 HG13 ILE 15 2HG1 ILE 15 1.658 14.231 -13.341 111 HG21 ILE 15 1HG2 ILE 15 -1.663 15.980 -13.481 112 HG22 ILE 15 2HG2 ILE 15 -0.955 17.610 -13.415 113 HG23 ILE 15 3HG2 ILE 15 -0.727 16.600 -14.861 114 HD11 ILE 15 1HD1 ILE 15 -0.137 12.591 -13.353 115 HD12 ILE 15 2HD1 ILE 15 -0.244 13.626 -11.909 116 HD13 ILE 15 3HD1 ILE 15 -1.349 13.891 -13.279 117 H THR 16 H THR 16 1.487 18.758 -15.255 118 HA THR 16 HA THR 16 1.420 20.908 -13.247 119 HB THR 16 HB THR 16 1.472 22.437 -15.156 120 HG1 THR 16 HG1 THR 16 1.691 20.549 -17.123 121 HG21 THR 16 1HG2 THR 16 3.577 21.711 -16.210 122 HG22 THR 16 2HG2 THR 16 3.607 21.410 -14.456 123 HG23 THR 16 3HG2 THR 16 3.327 20.065 -15.586 124 H LEU 17 H LEU 17 -0.197 22.731 -13.690 125 HA LEU 17 HA LEU 17 -2.805 21.710 -13.133 126 HB2 LEU 17 1HB LEU 17 -1.838 24.471 -13.943 127 HB3 LEU 17 2HB LEU 17 -3.506 24.122 -13.479 128 HG LEU 17 HG LEU 17 -1.088 23.731 -11.680 129 HD11 LEU 17 1HD1 LEU 17 -1.915 25.731 -10.522 130 HD12 LEU 17 2HD1 LEU 17 -1.462 26.086 -12.206 131 HD13 LEU 17 3HD1 LEU 17 -3.177 25.926 -11.761 132 HD21 LEU 17 1HD2 LEU 17 -2.811 23.463 -9.928 133 HD22 LEU 17 2HD2 LEU 17 -4.087 23.626 -11.157 134 HD23 LEU 17 3HD2 LEU 17 -2.989 22.226 -11.195 135 H GLU 18 H GLU 18 -1.287 22.927 -16.094 136 HA GLU 18 HA GLU 18 -3.688 22.843 -17.685 137 HB2 GLU 18 1HB GLU 18 -1.748 24.168 -18.380 138 HB3 GLU 18 2HB GLU 18 -0.748 22.725 -18.469 139 HG2 GLU 18 1HG GLU 18 -1.391 23.410 -20.681 140 HG3 GLU 18 2HG GLU 18 -2.147 21.864 -20.301 141 H ASP 19 H ASP 19 -0.997 20.555 -17.182 142 HA ASP 19 HA ASP 19 -1.987 18.534 -18.937 143 HB2 ASP 19 1HB ASP 19 -0.180 18.433 -16.498 144 HB3 ASP 19 2HB ASP 19 -0.582 16.995 -17.426 145 H LEU 20 H LEU 20 -2.609 19.245 -15.519 146 HA LEU 20 HA LEU 20 -4.154 16.965 -14.887 147 HB2 LEU 20 1HB LEU 20 -3.434 18.616 -13.221 148 HB3 LEU 20 2HB LEU 20 -4.475 19.840 -13.954 149 HG LEU 20 HG LEU 20 -6.470 18.521 -13.310 150 HD11 LEU 20 1HD1 LEU 20 -6.206 16.597 -11.809 151 HD12 LEU 20 2HD1 LEU 20 -5.456 16.301 -13.395 152 HD13 LEU 20 3HD1 LEU 20 -4.439 16.698 -11.990 153 HD21 LEU 20 1HD2 LEU 20 -6.271 18.928 -10.880 154 HD22 LEU 20 2HD2 LEU 20 -4.504 19.062 -11.046 155 HD23 LEU 20 3HD2 LEU 20 -5.564 20.269 -11.813 156 H GLU 21 H GLU 21 -5.138 20.073 -16.342 157 HA GLU 21 HA GLU 21 -7.908 19.439 -16.578 158 HB2 GLU 21 1HB GLU 21 -6.110 21.295 -18.182 159 HB3 GLU 21 2HB GLU 21 -7.847 21.191 -18.431 160 HG2 GLU 21 1HG GLU 21 -6.513 21.949 -15.822 161 HG3 GLU 21 2HG GLU 21 -7.158 23.085 -17.005 162 H GLN 22 H GLN 22 -5.130 18.801 -18.683 163 HA GLN 22 HA GLN 22 -6.708 17.731 -20.853 164 HB2 GLN 22 1HB GLN 22 -3.777 17.342 -20.126 165 HB3 GLN 22 2HB GLN 22 -4.512 16.787 -21.623 166 HG2 GLN 22 1HG GLN 22 -4.308 19.663 -20.707 167 HG3 GLN 22 2HG GLN 22 -3.309 18.866 -21.954 168 HE21 GLN 22 1HE2 GLN 22 -6.281 20.854 -23.332 169 HE22 GLN 22 2HE2 GLN 22 -5.163 21.223 -22.061 170 H LEU 23 H LEU 23 -5.187 16.362 -17.973 171 HA LEU 23 HA LEU 23 -5.639 13.612 -18.731 172 HB2 LEU 23 1HB LEU 23 -5.087 14.959 -16.070 173 HB3 LEU 23 2HB LEU 23 -5.263 13.211 -16.247 174 HG LEU 23 HG LEU 23 -3.159 14.860 -17.690 175 HD11 LEU 23 1HD1 LEU 23 -1.600 13.957 -16.023 176 HD12 LEU 23 2HD1 LEU 23 -2.847 14.980 -15.271 177 HD13 LEU 23 3HD1 LEU 23 -2.961 13.207 -15.156 178 HD21 LEU 23 1HD2 LEU 23 -2.153 12.637 -18.085 179 HD22 LEU 23 2HD2 LEU 23 -3.522 11.867 -17.247 180 HD23 LEU 23 3HD2 LEU 23 -3.789 12.731 -18.780 181 H LYS 24 H LYS 24 -7.429 15.995 -16.797 182 HA LYS 24 HA LYS 24 -9.567 14.253 -16.039 183 HB2 LYS 24 1HB LYS 24 -9.411 17.261 -16.436 184 HB3 LYS 24 2HB LYS 24 -10.877 16.456 -15.892 185 HG2 LYS 24 1HG LYS 24 -9.509 15.497 -13.975 186 HG3 LYS 24 2HG LYS 24 -8.210 16.591 -14.472 187 HD2 LYS 24 1HD LYS 24 -11.033 17.506 -13.815 188 HD3 LYS 24 2HD LYS 24 -9.702 17.491 -12.649 189 HE2 LYS 24 1HE LYS 24 -8.403 18.999 -14.139 190 HE3 LYS 24 2HE LYS 24 -9.761 19.041 -15.265 191 HZ1 LYS 24 1HZ LYS 24 -9.762 20.933 -13.812 192 HZ2 LYS 24 2HZ LYS 24 -11.099 20.011 -13.525 193 HZ3 LYS 24 3HZ LYS 24 -9.829 19.973 -12.473 194 H SER 25 H SER 25 -8.991 16.225 -18.930 195 HA SER 25 HA SER 25 -11.510 15.654 -20.180 196 HB2 SER 25 1HB SER 25 -8.799 16.348 -21.355 197 HB3 SER 25 2HB SER 25 -10.288 16.271 -22.283 198 HG SER 25 HG SER 25 -9.564 18.005 -20.214 199 H ALA 26 H ALA 26 -8.346 14.033 -20.227 200 HA ALA 26 HA ALA 26 -8.975 12.068 -22.171 201 HB1 ALA 26 1HB ALA 26 -7.146 10.757 -21.146 202 HB2 ALA 26 2HB ALA 26 -6.690 12.463 -21.366 203 HB3 ALA 26 3HB ALA 26 -7.143 11.864 -19.754 204 H CYS 27 H CYS 27 -9.557 12.163 -18.675 205 HA CYS 27 HA CYS 27 -11.119 9.636 -18.957 206 HB2 CYS 27 1HB CYS 27 -10.001 11.001 -16.478 207 HB3 CYS 27 2HB CYS 27 -11.011 9.563 -16.453 208 HG CYS 27 HG CYS 27 -8.148 9.907 -18.021 209 H LYS 28 H LYS 28 -12.173 12.073 -19.949 210 HA LYS 28 HA LYS 28 -13.990 13.226 -18.018 211 HB2 LYS 28 1HB LYS 28 -14.966 14.384 -19.888 212 HB3 LYS 28 2HB LYS 28 -13.224 14.364 -20.129 213 HG2 LYS 28 1HG LYS 28 -13.482 12.467 -21.711 214 HG3 LYS 28 2HG LYS 28 -15.236 12.557 -21.499 215 HD2 LYS 28 1HD LYS 28 -15.203 14.902 -22.317 216 HD3 LYS 28 2HD LYS 28 -13.454 14.783 -22.557 217 HE2 LYS 28 1HE LYS 28 -13.811 12.924 -24.162 218 HE3 LYS 28 2HE LYS 28 -15.555 13.072 -23.937 219 HZ1 LYS 28 1HZ LYS 28 -14.815 14.232 -25.885 220 HZ2 LYS 28 2HZ LYS 28 -15.417 15.310 -24.791 221 HZ3 LYS 28 3HZ LYS 28 -13.787 15.171 -25.002 222 H GLU 29 H GLU 29 -13.994 10.339 -19.901 223 HA GLU 29 HA GLU 29 -16.924 10.018 -19.626 224 HB2 GLU 29 1HB GLU 29 -14.809 8.275 -20.953 225 HB3 GLU 29 2HB GLU 29 -16.524 7.895 -20.909 226 HG2 GLU 29 1HG GLU 29 -17.023 9.936 -22.176 227 HG3 GLU 29 2HG GLU 29 -15.309 10.348 -22.199 228 H ASP 30 H ASP 30 -14.003 9.170 -18.029 229 HA ASP 30 HA ASP 30 -15.249 6.843 -16.685 230 HB2 ASP 30 1HB ASP 30 -12.432 7.989 -16.623 231 HB3 ASP 30 2HB ASP 30 -12.953 6.650 -15.609 232 H ILE 31 H ILE 31 -14.019 10.098 -16.002 233 HA ILE 31 HA ILE 31 -15.203 9.871 -13.271 234 HB ILE 31 HB ILE 31 -13.152 11.842 -14.367 235 HG12 ILE 31 1HG1 ILE 31 -12.848 9.695 -12.257 236 HG13 ILE 31 2HG1 ILE 31 -12.358 9.512 -13.934 237 HG21 ILE 31 1HG2 ILE 31 -13.034 12.679 -12.055 238 HG22 ILE 31 2HG2 ILE 31 -14.662 12.908 -12.735 239 HG23 ILE 31 3HG2 ILE 31 -14.357 11.585 -11.587 240 HD11 ILE 31 1HD1 ILE 31 -10.464 10.091 -12.525 241 HD12 ILE 31 2HD1 ILE 31 -10.793 11.391 -13.695 242 HD13 ILE 31 3HD1 ILE 31 -11.288 11.575 -11.996 243 HA PRO 32 HA PRO 32 -18.603 12.168 -14.837 244 HB2 PRO 32 1HB PRO 32 -18.878 12.727 -11.857 245 HB3 PRO 32 2HB PRO 32 -20.123 12.238 -13.014 246 HG2 PRO 32 1HG PRO 32 -19.124 10.387 -11.385 247 HG3 PRO 32 2HG PRO 32 -19.371 9.980 -13.085 248 HD2 PRO 32 1HD PRO 32 -16.801 10.744 -11.650 249 HD3 PRO 32 2HD PRO 32 -17.073 9.466 -12.901 250 H SER 33 H SER 33 -19.016 14.328 -15.260 251 HA SER 33 HA SER 33 -16.845 16.141 -15.030 252 HB2 SER 33 1HB SER 33 -18.337 17.785 -15.983 253 HB3 SER 33 2HB SER 33 -18.619 16.239 -16.768 254 HG SER 33 HG SER 33 -20.221 17.735 -15.151 255 H GLU 34 H GLU 34 -19.674 15.610 -13.001 256 HA GLU 34 HA GLU 34 -19.399 17.955 -11.383 257 HB2 GLU 34 1HB GLU 34 -20.571 15.211 -10.791 258 HB3 GLU 34 2HB GLU 34 -20.662 16.562 -9.671 259 HG2 GLU 34 1HG GLU 34 -21.929 17.865 -11.309 260 HG3 GLU 34 2HG GLU 34 -21.801 16.548 -12.474 261 H LYS 35 H LYS 35 -17.775 14.842 -11.394 262 HA LYS 35 HA LYS 35 -16.480 15.376 -8.805 263 HB2 LYS 35 1HB LYS 35 -16.125 13.122 -10.820 264 HB3 LYS 35 2HB LYS 35 -15.304 13.211 -9.268 265 HG2 LYS 35 1HG LYS 35 -18.286 12.940 -9.734 266 HG3 LYS 35 2HG LYS 35 -17.181 11.716 -9.091 267 HD2 LYS 35 1HD LYS 35 -16.717 13.188 -7.138 268 HD3 LYS 35 2HD LYS 35 -17.872 14.369 -7.774 269 HE2 LYS 35 1HE LYS 35 -19.664 12.641 -7.659 270 HE3 LYS 35 2HE LYS 35 -18.505 11.510 -6.956 271 HZ1 LYS 35 1HZ LYS 35 -19.813 12.588 -5.279 272 HZ2 LYS 35 2HZ LYS 35 -18.230 13.024 -5.115 273 HZ3 LYS 35 3HZ LYS 35 -19.314 14.081 -5.771 274 H SER 36 H SER 36 -15.820 15.731 -12.212 275 HA SER 36 HA SER 36 -12.978 16.143 -11.956 276 HB2 SER 36 1HB SER 36 -13.070 16.954 -14.192 277 HB3 SER 36 2HB SER 36 -14.241 15.649 -14.089 278 HG SER 36 HG SER 36 -15.630 17.623 -13.427 279 H GLU 37 H GLU 37 -15.788 18.118 -11.356 280 HA GLU 37 HA GLU 37 -14.297 20.614 -11.187 281 HB2 GLU 37 1HB GLU 37 -17.045 19.786 -10.176 282 HB3 GLU 37 2HB GLU 37 -16.391 21.407 -9.993 283 HG2 GLU 37 1HG GLU 37 -16.252 21.649 -12.425 284 HG3 GLU 37 2HG GLU 37 -16.854 20.005 -12.634 285 H GLU 38 H GLU 38 -14.795 17.877 -9.149 286 HA GLU 38 HA GLU 38 -14.139 19.334 -6.683 287 HB2 GLU 38 1HB GLU 38 -14.498 16.367 -7.263 288 HB3 GLU 38 2HB GLU 38 -14.171 17.031 -5.668 289 HG2 GLU 38 1HG GLU 38 -16.273 18.314 -5.773 290 HG3 GLU 38 2HG GLU 38 -16.602 17.636 -7.366 291 H ILE 39 H ILE 39 -12.439 17.992 -9.285 292 HA ILE 39 HA ILE 39 -10.066 17.224 -7.760 293 HB ILE 39 HB ILE 39 -10.546 17.583 -10.747 294 HG12 ILE 39 1HG1 ILE 39 -10.185 15.064 -9.111 295 HG13 ILE 39 2HG1 ILE 39 -11.744 15.718 -9.588 296 HG21 ILE 39 1HG2 ILE 39 -8.373 16.464 -11.040 297 HG22 ILE 39 2HG2 ILE 39 -8.185 18.011 -10.182 298 HG23 ILE 39 3HG2 ILE 39 -8.123 16.480 -9.278 299 HD11 ILE 39 1HD1 ILE 39 -11.047 13.935 -11.086 300 HD12 ILE 39 2HD1 ILE 39 -11.132 15.486 -11.956 301 HD13 ILE 39 3HD1 ILE 39 -9.554 14.821 -11.473 302 H THR 40 H THR 40 -8.634 18.568 -6.952 303 HA THR 40 HA THR 40 -8.182 21.150 -8.391 304 HB THR 40 HB THR 40 -7.471 22.119 -6.231 305 HG1 THR 40 HG1 THR 40 -6.990 20.776 -4.681 306 HG21 THR 40 1HG2 THR 40 -9.676 22.178 -5.134 307 HG22 THR 40 2HG2 THR 40 -9.842 22.305 -6.901 308 HG23 THR 40 3HG2 THR 40 -10.191 20.765 -6.083 309 H THR 41 H THR 41 -6.835 18.207 -7.212 310 HA THR 41 HA THR 41 -4.152 19.144 -8.125 311 HB THR 41 HB THR 41 -3.068 17.818 -6.386 312 HG1 THR 41 HG1 THR 41 -4.148 16.342 -5.321 313 HG21 THR 41 1HG2 THR 41 -3.784 19.067 -4.386 314 HG22 THR 41 2HG2 THR 41 -3.707 20.134 -5.809 315 HG23 THR 41 3HG2 THR 41 -5.280 19.550 -5.218 316 H GLY 42 H GLY 42 -2.678 17.311 -8.675 317 HA2 GLY 42 1HA GLY 42 -3.874 15.457 -10.499 318 HA3 GLY 42 2HA GLY 42 -2.223 15.399 -9.909 319 H SER 43 H SER 43 -2.894 15.235 -7.094 320 HA SER 43 HA SER 43 -3.196 12.394 -6.854 321 HB2 SER 43 1HB SER 43 -3.133 12.779 -4.468 322 HB3 SER 43 2HB SER 43 -1.952 13.821 -5.246 323 HG SER 43 HG SER 43 -4.227 14.421 -3.881 324 H ALA 44 H ALA 44 -5.436 15.111 -6.531 325 HA ALA 44 HA ALA 44 -7.660 13.590 -5.573 326 HB1 ALA 44 1HB ALA 44 -9.028 15.467 -6.425 327 HB2 ALA 44 2HB ALA 44 -7.616 16.044 -5.507 328 HB3 ALA 44 3HB ALA 44 -7.607 16.102 -7.285 329 H TRP 45 H TRP 45 -6.625 14.469 -8.875 330 HA TRP 45 HA TRP 45 -8.696 13.142 -10.270 331 HB2 TRP 45 1HB TRP 45 -7.103 14.650 -11.375 332 HB3 TRP 45 2HB TRP 45 -5.779 13.543 -11.043 333 HD1 TRP 45 HD1 TRP 45 -9.207 13.339 -12.917 334 HE1 TRP 45 HE1 TRP 45 -8.867 11.937 -15.063 335 HE3 TRP 45 HE3 TRP 45 -4.254 12.155 -12.308 336 HZ2 TRP 45 HZ2 TRP 45 -6.762 10.530 -16.312 337 HZ3 TRP 45 HZ3 TRP 45 -3.136 10.776 -14.015 338 HH2 TRP 45 HH2 TRP 45 -4.364 9.975 -15.990 339 H PHE 46 H PHE 46 -5.564 11.923 -9.084 340 HA PHE 46 HA PHE 46 -5.851 9.287 -10.154 341 HB2 PHE 46 1HB PHE 46 -4.231 10.451 -7.873 342 HB3 PHE 46 2HB PHE 46 -4.208 8.729 -8.219 343 HD1 PHE 46 HD1 PHE 46 -2.332 11.490 -8.615 344 HD2 PHE 46 HD2 PHE 46 -4.084 8.431 -11.028 345 HE1 PHE 46 HE1 PHE 46 -0.601 11.862 -10.341 346 HE2 PHE 46 HE2 PHE 46 -2.353 8.798 -12.755 347 HZ PHE 46 HZ PHE 46 -0.612 10.517 -12.411 348 H SER 47 H SER 47 -6.916 10.788 -7.133 349 HA SER 47 HA SER 47 -7.560 8.323 -5.802 350 HB2 SER 47 1HB SER 47 -8.620 9.696 -4.154 351 HB3 SER 47 2HB SER 47 -7.177 10.542 -4.690 352 HG SER 47 HG SER 47 -8.840 11.417 -6.308 353 H PHE 48 H PHE 48 -9.273 10.395 -8.052 354 HA PHE 48 HA PHE 48 -11.858 9.132 -7.618 355 HB2 PHE 48 1HB PHE 48 -10.718 11.030 -9.673 356 HB3 PHE 48 2HB PHE 48 -12.268 10.255 -9.960 357 HD1 PHE 48 HD1 PHE 48 -10.745 13.102 -8.691 358 HD2 PHE 48 HD2 PHE 48 -13.907 10.364 -7.822 359 HE1 PHE 48 HE1 PHE 48 -11.859 14.828 -7.317 360 HE2 PHE 48 HE2 PHE 48 -15.026 12.089 -6.449 361 HZ PHE 48 HZ PHE 48 -14.000 14.322 -6.195 362 H LEU 49 H LEU 49 -9.107 8.657 -9.783 363 HA LEU 49 HA LEU 49 -10.320 6.729 -11.501 364 HB2 LEU 49 1HB LEU 49 -7.441 7.092 -10.608 365 HB3 LEU 49 2HB LEU 49 -7.946 5.962 -11.868 366 HG LEU 49 HG LEU 49 -8.258 8.983 -11.975 367 HD11 LEU 49 1HD1 LEU 49 -6.511 8.843 -13.693 368 HD12 LEU 49 2HD1 LEU 49 -5.932 8.255 -12.117 369 HD13 LEU 49 3HD1 LEU 49 -6.361 7.095 -13.398 370 HD21 LEU 49 1HD2 LEU 49 -8.926 8.557 -14.316 371 HD22 LEU 49 2HD2 LEU 49 -8.810 6.803 -14.030 372 HD23 LEU 49 3HD2 LEU 49 -10.042 7.764 -13.177 373 H GLU 50 H GLU 50 -8.761 6.463 -8.330 374 HA GLU 50 HA GLU 50 -9.075 3.577 -8.199 375 HB2 GLU 50 1HB GLU 50 -7.388 4.807 -6.846 376 HB3 GLU 50 2HB GLU 50 -8.679 5.621 -5.975 377 HG2 GLU 50 1HG GLU 50 -9.433 3.532 -5.021 378 HG3 GLU 50 2HG GLU 50 -8.287 2.623 -6.004 379 H SER 51 H SER 51 -10.901 6.387 -6.990 380 HA SER 51 HA SER 51 -12.748 4.912 -5.412 381 HB2 SER 51 1HB SER 51 -13.042 7.581 -6.827 382 HB3 SER 51 2HB SER 51 -14.190 6.953 -5.655 383 HG SER 51 HG SER 51 -11.495 7.634 -5.299 384 H HIS 52 H HIS 52 -12.721 5.747 -8.846 385 HA HIS 52 HA HIS 52 -15.456 4.630 -9.180 386 HB2 HIS 52 1HB HIS 52 -13.614 6.086 -11.111 387 HB3 HIS 52 2HB HIS 52 -15.206 5.466 -11.527 388 HD1 HIS 52 HD1 HIS 52 -17.123 6.416 -9.588 389 HD2 HIS 52 HD2 HIS 52 -13.772 8.827 -10.436 390 HE1 HIS 52 HE1 HIS 52 -17.764 8.696 -8.986 391 H ASN 53 H ASN 53 -12.660 3.217 -8.772 392 HA ASN 53 HA ASN 53 -11.763 1.200 -9.430 393 HB2 ASN 53 1HB ASN 53 -14.604 0.765 -10.410 394 HB3 ASN 53 2HB ASN 53 -13.387 -0.497 -10.269 395 HD21 ASN 53 1HD2 ASN 53 -15.676 0.024 -7.207 396 HD22 ASN 53 2HD2 ASN 53 -16.037 0.215 -8.890 397 H LYS 54 H LYS 54 -11.091 3.211 -11.111 398 HA LYS 54 HA LYS 54 -11.463 2.081 -13.845 399 HB2 LYS 54 1HB LYS 54 -10.496 4.829 -12.958 400 HB3 LYS 54 2HB LYS 54 -10.628 4.299 -14.629 401 HG2 LYS 54 1HG LYS 54 -12.966 4.464 -12.705 402 HG3 LYS 54 2HG LYS 54 -12.516 5.725 -13.861 403 HD2 LYS 54 1HD LYS 54 -12.822 4.127 -15.726 404 HD3 LYS 54 2HD LYS 54 -13.272 2.866 -14.569 405 HE2 LYS 54 1HE LYS 54 -15.262 4.033 -13.926 406 HE3 LYS 54 2HE LYS 54 -14.753 5.506 -14.757 407 HZ1 LYS 54 1HZ LYS 54 -16.383 4.302 -16.015 408 HZ2 LYS 54 2HZ LYS 54 -14.955 4.331 -16.840 409 HZ3 LYS 54 3HZ LYS 54 -15.432 2.956 -16.064 410 H LEU 55 H LEU 55 -8.976 3.299 -11.600 411 HA LEU 55 HA LEU 55 -6.944 1.856 -13.240 412 HB2 LEU 55 1HB LEU 55 -6.421 4.204 -12.900 413 HB3 LEU 55 2HB LEU 55 -6.664 4.050 -11.157 414 HG LEU 55 HG LEU 55 -4.680 2.570 -11.020 415 HD11 LEU 55 1HD1 LEU 55 -3.221 2.334 -12.980 416 HD12 LEU 55 2HD1 LEU 55 -4.819 1.602 -13.258 417 HD13 LEU 55 3HD1 LEU 55 -4.425 3.181 -13.979 418 HD21 LEU 55 1HD2 LEU 55 -3.015 4.337 -11.481 419 HD22 LEU 55 2HD2 LEU 55 -4.216 5.214 -12.460 420 HD23 LEU 55 3HD2 LEU 55 -4.469 5.014 -10.709 421 H ASP 56 H ASP 56 -6.522 -0.122 -12.579 422 HA ASP 56 HA ASP 56 -7.092 -1.031 -9.893 423 HB2 ASP 56 1HB ASP 56 -7.117 -2.459 -12.001 424 HB3 ASP 56 2HB ASP 56 -5.360 -2.398 -11.986 425 H LYS 57 H LYS 57 -5.621 -1.821 -8.333 426 HA LYS 57 HA LYS 57 -3.426 0.022 -7.927 427 HB2 LYS 57 1HB LYS 57 -4.358 -2.427 -6.383 428 HB3 LYS 57 2HB LYS 57 -3.023 -1.406 -5.865 429 HG2 LYS 57 1HG LYS 57 -4.560 0.531 -5.738 430 HG3 LYS 57 2HG LYS 57 -5.899 -0.516 -6.228 431 HD2 LYS 57 1HD LYS 57 -5.538 -1.928 -4.234 432 HD3 LYS 57 2HD LYS 57 -4.182 -0.900 -3.747 433 HE2 LYS 57 1HE LYS 57 -5.695 1.030 -3.540 434 HE3 LYS 57 2HE LYS 57 -7.055 0.040 -4.078 435 HZ1 LYS 57 1HZ LYS 57 -6.990 0.235 -1.701 436 HZ2 LYS 57 2HZ LYS 57 -6.744 -1.337 -2.137 437 HZ3 LYS 57 3HZ LYS 57 -5.475 -0.412 -1.635 438 H ASP 58 H ASP 58 -3.736 -3.236 -9.153 439 HA ASP 58 HA ASP 58 -0.769 -3.525 -9.119 440 HB2 ASP 58 1HB ASP 58 -2.969 -5.588 -9.540 441 HB3 ASP 58 2HB ASP 58 -1.248 -5.933 -9.649 442 H ASN 59 H ASN 59 -3.623 -3.647 -11.228 443 HA ASN 59 HA ASN 59 -1.880 -3.923 -13.602 444 HB2 ASN 59 1HB ASN 59 -3.976 -5.233 -13.464 445 HB3 ASN 59 2HB ASN 59 -4.902 -3.741 -13.376 446 HD21 ASN 59 1HD2 ASN 59 -4.838 -5.018 -16.874 447 HD22 ASN 59 2HD2 ASN 59 -5.277 -5.690 -15.339 448 H LEU 60 H LEU 60 -0.833 -2.131 -14.121 449 HA LEU 60 HA LEU 60 -2.262 0.458 -13.787 450 HB2 LEU 60 1HB LEU 60 0.701 -0.137 -14.105 451 HB3 LEU 60 2HB LEU 60 -0.003 1.466 -13.868 452 HG LEU 60 HG LEU 60 -0.080 -0.816 -11.862 453 HD11 LEU 60 1HD1 LEU 60 1.482 0.591 -10.595 454 HD12 LEU 60 2HD1 LEU 60 2.156 0.116 -12.172 455 HD13 LEU 60 3HD1 LEU 60 1.517 1.760 -11.936 456 HD21 LEU 60 1HD2 LEU 60 -0.995 0.909 -10.346 457 HD22 LEU 60 2HD2 LEU 60 -0.996 2.084 -11.683 458 HD23 LEU 60 3HD2 LEU 60 -2.061 0.659 -11.749 459 H SER 61 H SER 61 -2.236 -1.617 -16.112 460 HA SER 61 HA SER 61 -1.039 -0.279 -18.349 461 HB2 SER 61 1HB SER 61 -2.298 -1.814 -19.708 462 HB3 SER 61 2HB SER 61 -1.711 -2.682 -18.298 463 HG SER 61 HG SER 61 -3.669 -2.652 -17.424 464 H TYR 62 H TYR 62 -4.044 0.144 -16.630 465 HA TYR 62 HA TYR 62 -5.490 1.584 -18.620 466 HB2 TYR 62 1HB TYR 62 -6.620 0.805 -16.628 467 HB3 TYR 62 2HB TYR 62 -5.541 1.719 -15.584 468 HD1 TYR 62 HD1 TYR 62 -8.338 1.950 -17.977 469 HD2 TYR 62 HD2 TYR 62 -5.851 4.066 -15.194 470 HE1 TYR 62 HE1 TYR 62 -9.907 3.859 -18.025 471 HE2 TYR 62 HE2 TYR 62 -7.420 5.974 -15.241 472 HH TYR 62 HH TYR 62 -10.275 5.956 -17.353 473 H ILE 63 H ILE 63 -3.429 2.807 -15.956 474 HA ILE 63 HA ILE 63 -3.789 5.550 -16.765 475 HB ILE 63 HB ILE 63 -3.184 4.710 -14.420 476 HG12 ILE 63 1HG1 ILE 63 -1.745 6.686 -13.949 477 HG13 ILE 63 2HG1 ILE 63 -1.577 6.947 -15.678 478 HG21 ILE 63 1HG2 ILE 63 -0.780 4.457 -13.953 479 HG22 ILE 63 2HG2 ILE 63 -1.344 3.214 -15.094 480 HG23 ILE 63 3HG2 ILE 63 -0.422 4.614 -15.689 481 HD11 ILE 63 1HD1 ILE 63 -3.278 8.404 -14.732 482 HD12 ILE 63 2HD1 ILE 63 -4.006 7.255 -15.881 483 HD13 ILE 63 3HD1 ILE 63 -4.176 6.993 -14.129 484 H GLU 64 H GLU 64 -1.438 3.050 -17.516 485 HA GLU 64 HA GLU 64 0.479 4.702 -18.836 486 HB2 GLU 64 1HB GLU 64 -0.360 1.812 -19.273 487 HB3 GLU 64 2HB GLU 64 0.961 2.566 -20.153 488 HG2 GLU 64 1HG GLU 64 2.202 2.924 -18.116 489 HG3 GLU 64 2HG GLU 64 0.841 2.381 -17.138 490 H HIS 65 H HIS 65 -2.456 3.059 -20.035 491 HA HIS 65 HA HIS 65 -2.307 4.005 -22.725 492 HB2 HIS 65 1HB HIS 65 -3.865 2.237 -22.030 493 HB3 HIS 65 2HB HIS 65 -4.738 3.373 -21.012 494 HD1 HIS 65 HD1 HIS 65 -3.916 2.817 -24.695 495 HD2 HIS 65 HD2 HIS 65 -6.885 4.681 -22.356 496 HE1 HIS 65 HE1 HIS 65 -5.596 3.638 -26.268 497 H ILE 66 H ILE 66 -3.821 5.421 -19.823 498 HA ILE 66 HA ILE 66 -5.004 7.642 -21.133 499 HB ILE 66 HB ILE 66 -4.012 7.316 -18.272 500 HG12 ILE 66 1HG1 ILE 66 -5.780 5.775 -18.878 501 HG13 ILE 66 2HG1 ILE 66 -6.378 6.992 -17.760 502 HG21 ILE 66 1HG2 ILE 66 -5.405 9.278 -17.750 503 HG22 ILE 66 2HG2 ILE 66 -4.098 9.704 -18.879 504 HG23 ILE 66 3HG2 ILE 66 -5.759 9.493 -19.480 505 HD11 ILE 66 1HD1 ILE 66 -8.001 6.539 -19.513 506 HD12 ILE 66 2HD1 ILE 66 -7.411 8.215 -19.623 507 HD13 ILE 66 3HD1 ILE 66 -6.808 6.981 -20.756 508 H PHE 67 H PHE 67 -1.784 7.227 -19.681 509 HA PHE 67 HA PHE 67 -0.962 9.950 -20.177 510 HB2 PHE 67 1HB PHE 67 0.564 7.394 -19.573 511 HB3 PHE 67 2HB PHE 67 1.372 8.931 -19.837 512 HD1 PHE 67 HD1 PHE 67 -0.999 10.530 -18.489 513 HD2 PHE 67 HD2 PHE 67 1.424 7.211 -17.320 514 HE1 PHE 67 HE1 PHE 67 -1.339 11.120 -16.112 515 HE2 PHE 67 HE2 PHE 67 1.083 7.796 -14.942 516 HZ PHE 67 HZ PHE 67 -0.298 9.753 -14.339 517 H GLU 68 H GLU 68 -0.812 6.933 -22.003 518 HA GLU 68 HA GLU 68 0.873 7.832 -24.113 519 HB2 GLU 68 1HB GLU 68 0.201 5.468 -23.804 520 HB3 GLU 68 2HB GLU 68 -1.461 5.877 -24.205 521 HG2 GLU 68 1HG GLU 68 -0.738 6.562 -26.465 522 HG3 GLU 68 2HG GLU 68 0.918 6.116 -26.059 523 H ILE 69 H ILE 69 -2.696 7.878 -23.825 524 HA ILE 69 HA ILE 69 -2.994 9.253 -26.363 525 HB ILE 69 HB ILE 69 -5.385 9.371 -25.779 526 HG12 ILE 69 1HG1 ILE 69 -4.603 8.259 -23.075 527 HG13 ILE 69 2HG1 ILE 69 -5.022 9.938 -23.378 528 HG21 ILE 69 1HG2 ILE 69 -5.814 6.962 -25.504 529 HG22 ILE 69 2HG2 ILE 69 -4.492 7.249 -26.660 530 HG23 ILE 69 3HG2 ILE 69 -4.125 6.715 -25.003 531 HD11 ILE 69 1HD1 ILE 69 -6.915 8.712 -22.471 532 HD12 ILE 69 2HD1 ILE 69 -7.260 9.258 -24.129 533 HD13 ILE 69 3HD1 ILE 69 -6.837 7.557 -23.821 534 H SER 70 H SER 70 -2.335 10.231 -23.139 535 HA SER 70 HA SER 70 -3.244 12.994 -23.590 536 HB2 SER 70 1HB SER 70 -1.660 11.718 -21.336 537 HB3 SER 70 2HB SER 70 -2.186 13.393 -21.363 538 HG SER 70 HG SER 70 -3.745 11.060 -21.353 539 H ARG 71 H ARG 71 -0.715 11.191 -24.689 540 HA ARG 71 HA ARG 71 1.259 11.756 -25.728 541 HB2 ARG 71 1HB ARG 71 0.186 14.588 -25.487 542 HB3 ARG 71 2HB ARG 71 1.549 14.099 -26.483 543 HG2 ARG 71 1HG ARG 71 0.035 12.644 -27.803 544 HG3 ARG 71 2HG ARG 71 -1.332 13.234 -26.827 545 HD2 ARG 71 1HD ARG 71 -0.863 15.505 -27.549 546 HD3 ARG 71 2HD ARG 71 0.499 14.912 -28.528 547 HE ARG 71 HE ARG 71 -1.779 13.468 -29.296 548 HH11 ARG 71 1HH1 ARG 71 -0.616 16.782 -29.355 549 HH12 ARG 71 2HH1 ARG 71 -1.519 17.205 -30.792 550 HH21 ARG 71 1HH2 ARG 71 -2.946 14.029 -31.161 551 HH22 ARG 71 2HH2 ARG 71 -2.839 15.648 -31.815 552 H ARG 72 H ARG 72 1.473 11.282 -23.041 553 HA ARG 72 HA ARG 72 3.760 13.090 -22.414 554 HB2 ARG 72 1HB ARG 72 1.690 12.032 -20.462 555 HB3 ARG 72 2HB ARG 72 3.212 12.765 -19.978 556 HG2 ARG 72 1HG ARG 72 1.116 14.180 -21.641 557 HG3 ARG 72 2HG ARG 72 1.250 14.289 -19.869 558 HD2 ARG 72 1HD ARG 72 3.510 15.163 -20.104 559 HD3 ARG 72 2HD ARG 72 3.352 15.076 -21.874 560 HE ARG 72 HE ARG 72 2.092 17.001 -20.062 561 HH11 ARG 72 1HH1 ARG 72 2.278 15.655 -23.302 562 HH12 ARG 72 2HH1 ARG 72 1.527 17.043 -24.057 563 HH21 ARG 72 1HH2 ARG 72 1.119 18.797 -21.054 564 HH22 ARG 72 2HH2 ARG 72 0.871 18.822 -22.786 565 HA PRO 73 HA PRO 73 5.109 8.691 -22.718 566 HB2 PRO 73 1HB PRO 73 7.590 10.288 -23.443 567 HB3 PRO 73 2HB PRO 73 6.985 8.788 -24.158 568 HG2 PRO 73 1HG PRO 73 6.594 11.061 -25.484 569 HG3 PRO 73 2HG PRO 73 5.271 9.896 -25.383 570 HD2 PRO 73 1HD PRO 73 5.720 12.432 -23.756 571 HD3 PRO 73 2HD PRO 73 4.192 11.813 -24.501 572 H ASP 74 H ASP 74 6.411 11.636 -21.251 573 HA ASP 74 HA ASP 74 8.357 10.446 -19.549 574 HB2 ASP 74 1HB ASP 74 6.711 12.988 -19.283 575 HB3 ASP 74 2HB ASP 74 7.957 12.536 -18.128 576 H LEU 75 H LEU 75 4.959 11.362 -18.881 577 HA LEU 75 HA LEU 75 4.945 10.272 -16.232 578 HB2 LEU 75 1HB LEU 75 2.725 10.897 -18.203 579 HB3 LEU 75 2HB LEU 75 2.422 10.326 -16.559 580 HG LEU 75 HG LEU 75 3.910 12.886 -17.240 581 HD11 LEU 75 1HD1 LEU 75 1.843 14.014 -16.547 582 HD12 LEU 75 2HD1 LEU 75 1.584 12.985 -17.976 583 HD13 LEU 75 3HD1 LEU 75 1.041 12.436 -16.372 584 HD21 LEU 75 1HD2 LEU 75 3.562 13.360 -14.839 585 HD22 LEU 75 2HD2 LEU 75 2.783 11.772 -14.639 586 HD23 LEU 75 3HD2 LEU 75 4.508 11.869 -15.067 587 H LEU 76 H LEU 76 3.999 8.949 -19.399 588 HA LEU 76 HA LEU 76 3.075 6.426 -18.526 589 HB2 LEU 76 1HB LEU 76 2.939 7.310 -20.858 590 HB3 LEU 76 2HB LEU 76 4.677 7.051 -21.032 591 HG LEU 76 HG LEU 76 2.900 4.729 -20.309 592 HD11 LEU 76 1HD1 LEU 76 2.548 4.301 -22.700 593 HD12 LEU 76 2HD1 LEU 76 1.784 5.823 -22.185 594 HD13 LEU 76 3HD1 LEU 76 3.316 5.857 -23.092 595 HD21 LEU 76 1HD2 LEU 76 4.649 3.520 -21.569 596 HD22 LEU 76 2HD2 LEU 76 5.447 5.065 -21.946 597 HD23 LEU 76 3HD2 LEU 76 5.362 4.495 -20.262 598 H THR 77 H THR 77 6.384 7.479 -19.369 599 HA THR 77 HA THR 77 7.631 4.961 -18.939 600 HB THR 77 HB THR 77 8.785 7.767 -18.633 601 HG1 THR 77 HG1 THR 77 8.119 7.450 -20.728 602 HG21 THR 77 1HG2 THR 77 10.963 6.665 -18.966 603 HG22 THR 77 2HG2 THR 77 10.163 6.060 -17.496 604 HG23 THR 77 3HG2 THR 77 10.163 5.077 -18.979 605 H MET 78 H MET 78 6.968 7.660 -16.723 606 HA MET 78 HA MET 78 8.355 6.727 -14.465 607 HB2 MET 78 1HB MET 78 5.763 8.278 -14.742 608 HB3 MET 78 2HB MET 78 6.475 7.927 -13.174 609 HG2 MET 78 1HG MET 78 7.875 9.440 -15.396 610 HG3 MET 78 2HG MET 78 7.024 10.185 -14.041 611 HE1 MET 78 1HE MET 78 9.192 9.215 -10.969 612 HE2 MET 78 2HE MET 78 7.848 10.211 -11.579 613 HE3 MET 78 3HE MET 78 7.703 8.436 -11.557 614 H VAL 79 H VAL 79 5.113 5.848 -15.629 615 HA VAL 79 HA VAL 79 4.543 4.127 -13.379 616 HB VAL 79 HB VAL 79 3.331 4.262 -16.173 617 HG11 VAL 79 1HG1 VAL 79 1.456 3.000 -15.236 618 HG12 VAL 79 2HG1 VAL 79 2.970 2.066 -15.203 619 HG13 VAL 79 3HG1 VAL 79 2.348 2.808 -13.709 620 HG21 VAL 79 1HG2 VAL 79 1.511 5.471 -15.011 621 HG22 VAL 79 2HG2 VAL 79 2.413 5.355 -13.481 622 HG23 VAL 79 3HG2 VAL 79 3.065 6.318 -14.828 623 H VAL 80 H VAL 80 5.603 3.539 -16.745 624 HA VAL 80 HA VAL 80 5.587 0.701 -16.568 625 HB VAL 80 HB VAL 80 7.197 2.595 -18.328 626 HG11 VAL 80 1HG1 VAL 80 7.631 0.666 -19.769 627 HG12 VAL 80 2HG1 VAL 80 8.370 0.476 -18.161 628 HG13 VAL 80 3HG1 VAL 80 6.875 -0.403 -18.564 629 HG21 VAL 80 1HG2 VAL 80 5.520 1.944 -20.026 630 HG22 VAL 80 2HG2 VAL 80 4.701 0.919 -18.823 631 HG23 VAL 80 3HG2 VAL 80 4.744 2.685 -18.607 632 H ASP 81 H ASP 81 8.226 3.067 -16.107 633 HA ASP 81 HA ASP 81 10.260 1.119 -15.619 634 HB2 ASP 81 1HB ASP 81 10.648 3.542 -16.196 635 HB3 ASP 81 2HB ASP 81 10.126 3.976 -14.574 636 H TYR 82 H TYR 82 8.223 3.031 -13.388 637 HA TYR 82 HA TYR 82 9.398 1.981 -11.003 638 HB2 TYR 82 1HB TYR 82 8.009 4.066 -11.133 639 HB3 TYR 82 2HB TYR 82 6.583 3.072 -11.399 640 HD1 TYR 82 HD1 TYR 82 9.196 4.005 -8.960 641 HD2 TYR 82 HD2 TYR 82 5.512 1.904 -9.609 642 HE1 TYR 82 HE1 TYR 82 8.881 3.802 -6.517 643 HE2 TYR 82 HE2 TYR 82 5.197 1.702 -7.166 644 HH TYR 82 HH TYR 82 7.594 3.010 -4.887 645 H ARG 83 H ARG 83 6.465 1.038 -12.804 646 HA ARG 83 HA ARG 83 5.642 -1.037 -11.065 647 HB2 ARG 83 1HB ARG 83 4.210 -0.212 -12.854 648 HB3 ARG 83 2HB ARG 83 5.343 -0.770 -14.076 649 HG2 ARG 83 1HG ARG 83 4.859 -3.062 -13.608 650 HG3 ARG 83 2HG ARG 83 3.929 -2.629 -12.153 651 HD2 ARG 83 1HD ARG 83 2.478 -3.180 -14.007 652 HD3 ARG 83 2HD ARG 83 2.305 -1.473 -13.537 653 HE ARG 83 HE ARG 83 3.063 -0.847 -15.602 654 HH11 ARG 83 1HH1 ARG 83 3.878 -4.224 -15.075 655 HH12 ARG 83 2HH1 ARG 83 4.435 -4.475 -16.714 656 HH21 ARG 83 1HH2 ARG 83 3.789 -1.186 -17.727 657 HH22 ARG 83 2HH2 ARG 83 4.385 -2.756 -18.216 658 H THR 84 H THR 84 7.860 -1.100 -13.858 659 HA THR 84 HA THR 84 8.406 -3.881 -13.832 660 HB THR 84 HB THR 84 10.245 -1.570 -14.593 661 HG1 THR 84 HG1 THR 84 8.459 -1.567 -15.911 662 HG21 THR 84 1HG2 THR 84 11.447 -3.261 -15.922 663 HG22 THR 84 2HG2 THR 84 11.489 -3.666 -14.190 664 HG23 THR 84 3HG2 THR 84 10.381 -4.531 -15.279 665 H ARG 85 H ARG 85 9.949 -1.203 -12.061 666 HA ARG 85 HA ARG 85 11.968 -2.763 -10.802 667 HB2 ARG 85 1HB ARG 85 10.561 -0.222 -9.925 668 HB3 ARG 85 2HB ARG 85 11.925 -0.919 -9.064 669 HG2 ARG 85 1HG ARG 85 13.376 -0.588 -10.968 670 HG3 ARG 85 2HG ARG 85 12.004 -0.038 -11.960 671 HD2 ARG 85 1HD ARG 85 11.668 1.789 -10.290 672 HD3 ARG 85 2HD ARG 85 13.215 1.301 -9.561 673 HE ARG 85 HE ARG 85 12.796 2.663 -12.110 674 HH11 ARG 85 1HH1 ARG 85 15.019 0.899 -10.040 675 HH12 ARG 85 2HH1 ARG 85 16.449 1.523 -10.830 676 HH21 ARG 85 1HH2 ARG 85 14.660 3.467 -13.129 677 HH22 ARG 85 2HH2 ARG 85 16.247 2.977 -12.579 678 H VAL 86 H VAL 86 8.635 -1.974 -9.828 679 HA VAL 86 HA VAL 86 8.725 -3.256 -7.282 680 HB VAL 86 HB VAL 86 6.415 -2.750 -9.202 681 HG11 VAL 86 1HG1 VAL 86 4.930 -3.161 -7.301 682 HG12 VAL 86 2HG1 VAL 86 5.854 -4.614 -7.751 683 HG13 VAL 86 3HG1 VAL 86 6.326 -3.665 -6.320 684 HG21 VAL 86 1HG2 VAL 86 5.916 -0.907 -7.628 685 HG22 VAL 86 2HG2 VAL 86 7.347 -1.345 -6.664 686 HG23 VAL 86 3HG2 VAL 86 7.544 -0.735 -8.325 687 H LEU 87 H LEU 87 7.933 -4.447 -10.538 688 HA LEU 87 HA LEU 87 7.150 -7.076 -9.736 689 HB2 LEU 87 1HB LEU 87 8.320 -6.005 -12.323 690 HB3 LEU 87 2HB LEU 87 7.759 -7.668 -12.126 691 HG LEU 87 HG LEU 87 6.000 -5.214 -11.787 692 HD11 LEU 87 1HD1 LEU 87 5.088 -5.831 -13.980 693 HD12 LEU 87 2HD1 LEU 87 6.814 -5.412 -14.080 694 HD13 LEU 87 3HD1 LEU 87 6.308 -7.118 -14.125 695 HD21 LEU 87 1HD2 LEU 87 4.184 -6.888 -11.890 696 HD22 LEU 87 2HD2 LEU 87 5.391 -8.191 -12.006 697 HD23 LEU 87 3HD2 LEU 87 5.277 -7.213 -10.523 698 H LYS 88 H LYS 88 10.288 -5.612 -10.460 699 HA LYS 88 HA LYS 88 11.791 -8.058 -10.397 700 HB2 LYS 88 1HB LYS 88 12.555 -5.155 -9.930 701 HB3 LYS 88 2HB LYS 88 13.729 -6.462 -9.867 702 HG2 LYS 88 1HG LYS 88 13.213 -7.051 -12.204 703 HG3 LYS 88 2HG LYS 88 12.021 -5.745 -12.269 704 HD2 LYS 88 1HD LYS 88 13.776 -4.083 -11.841 705 HD3 LYS 88 2HD LYS 88 14.982 -5.369 -11.682 706 HE2 LYS 88 1HE LYS 88 14.577 -6.043 -14.026 707 HE3 LYS 88 2HE LYS 88 13.366 -4.769 -14.188 708 HZ1 LYS 88 1HZ LYS 88 15.480 -4.092 -15.061 709 HZ2 LYS 88 2HZ LYS 88 15.089 -3.155 -13.760 710 HZ3 LYS 88 3HZ LYS 88 16.222 -4.345 -13.610 711 H ILE 89 H ILE 89 10.768 -5.765 -7.904 712 HA ILE 89 HA ILE 89 12.317 -6.915 -5.782 713 HB ILE 89 HB ILE 89 9.741 -5.291 -5.742 714 HG12 ILE 89 1HG1 ILE 89 12.569 -4.450 -5.081 715 HG13 ILE 89 2HG1 ILE 89 11.839 -4.241 -6.665 716 HG21 ILE 89 1HG2 ILE 89 10.217 -4.933 -3.353 717 HG22 ILE 89 2HG2 ILE 89 9.935 -6.656 -3.698 718 HG23 ILE 89 3HG2 ILE 89 11.592 -6.057 -3.454 719 HD11 ILE 89 1HD1 ILE 89 11.701 -2.195 -5.360 720 HD12 ILE 89 2HD1 ILE 89 10.075 -2.842 -5.683 721 HD13 ILE 89 3HD1 ILE 89 10.815 -3.051 -4.078 722 H SER 90 H SER 90 12.143 -8.806 -4.836 723 HA SER 90 HA SER 90 9.543 -9.929 -4.167 724 HB2 SER 90 1HB SER 90 9.694 -10.643 -6.504 725 HB3 SER 90 2HB SER 90 11.291 -11.320 -6.223 726 HG SER 90 HG SER 90 8.810 -12.253 -5.557 Start of MODEL 2 1 H1 MET 1 1H MET 1 -0.710 -1.602 0.633 2 H2 MET 1 2H MET 1 0.198 -0.493 1.415 3 H3 MET 1 3H MET 1 -1.166 -0.035 0.646 4 HA MET 1 HA MET 1 1.246 -1.086 -0.598 5 HB2 MET 1 1HB MET 1 -1.406 -0.173 -1.773 6 HB3 MET 1 2HB MET 1 0.051 -0.411 -2.727 7 HG2 MET 1 1HG MET 1 0.091 -2.788 -2.097 8 HG3 MET 1 2HG MET 1 -1.352 -2.556 -1.108 9 HE1 MET 1 1HE MET 1 -2.575 -4.647 -4.238 10 HE2 MET 1 2HE MET 1 -0.961 -4.724 -3.490 11 HE3 MET 1 3HE MET 1 -2.414 -4.625 -2.465 12 H ALA 2 H ALA 2 1.685 0.817 1.193 13 HA ALA 2 HA ALA 2 1.281 3.492 0.256 14 HB1 ALA 2 1HB ALA 2 2.998 4.101 1.929 15 HB2 ALA 2 2HB ALA 2 1.786 2.986 2.604 16 HB3 ALA 2 3HB ALA 2 3.391 2.378 2.139 17 H GLU 3 H GLU 3 3.731 1.066 -0.382 18 HA GLU 3 HA GLU 3 5.684 2.810 -1.537 19 HB2 GLU 3 1HB GLU 3 5.087 -0.141 -1.964 20 HB3 GLU 3 2HB GLU 3 6.454 0.679 -2.704 21 HG2 GLU 3 1HG GLU 3 7.388 1.194 -0.524 22 HG3 GLU 3 2HG GLU 3 5.973 0.513 0.278 23 H TYR 4 H TYR 4 2.871 1.115 -2.876 24 HA TYR 4 HA TYR 4 3.397 1.856 -5.609 25 HB2 TYR 4 1HB TYR 4 0.773 1.122 -4.245 26 HB3 TYR 4 2HB TYR 4 1.020 1.225 -5.983 27 HD1 TYR 4 HD1 TYR 4 4.048 0.034 -5.015 28 HD2 TYR 4 HD2 TYR 4 -0.058 -1.206 -5.115 29 HE1 TYR 4 HE1 TYR 4 4.762 -2.332 -5.055 30 HE2 TYR 4 HE2 TYR 4 0.657 -3.571 -5.155 31 HH TYR 4 HH TYR 4 2.371 -4.975 -5.200 32 H GLY 5 H GLY 5 1.495 3.321 -2.991 33 HA2 GLY 5 1HA GLY 5 0.442 5.500 -4.527 34 HA3 GLY 5 2HA GLY 5 0.618 5.460 -2.783 35 H THR 6 H THR 6 3.472 5.006 -2.736 36 HA THR 6 HA THR 6 4.453 7.675 -2.921 37 HB THR 6 HB THR 6 5.989 5.043 -2.821 38 HG1 THR 6 HG1 THR 6 4.674 5.395 -0.998 39 HG21 THR 6 1HG2 THR 6 7.860 6.422 -2.006 40 HG22 THR 6 2HG2 THR 6 7.382 6.906 -3.651 41 HG23 THR 6 3HG2 THR 6 6.891 7.892 -2.255 42 H LEU 7 H LEU 7 4.772 4.883 -5.106 43 HA LEU 7 HA LEU 7 6.437 6.178 -7.028 44 HB2 LEU 7 1HB LEU 7 4.418 3.926 -7.294 45 HB3 LEU 7 2HB LEU 7 5.482 4.442 -8.606 46 HG LEU 7 HG LEU 7 6.454 3.382 -5.929 47 HD11 LEU 7 1HD1 LEU 7 6.952 1.323 -7.169 48 HD12 LEU 7 2HD1 LEU 7 5.209 1.679 -7.158 49 HD13 LEU 7 3HD1 LEU 7 6.174 2.006 -8.617 50 HD21 LEU 7 1HD2 LEU 7 8.606 3.212 -7.133 51 HD22 LEU 7 2HD2 LEU 7 7.852 3.921 -8.582 52 HD23 LEU 7 3HD2 LEU 7 8.023 4.893 -7.099 53 H LEU 8 H LEU 8 2.909 6.005 -6.649 54 HA LEU 8 HA LEU 8 2.333 7.457 -9.075 55 HB2 LEU 8 1HB LEU 8 0.726 6.940 -6.554 56 HB3 LEU 8 2HB LEU 8 0.082 7.804 -7.954 57 HG LEU 8 HG LEU 8 1.069 4.929 -7.977 58 HD11 LEU 8 1HD1 LEU 8 -1.314 4.366 -8.156 59 HD12 LEU 8 2HD1 LEU 8 -0.949 5.207 -6.631 60 HD13 LEU 8 3HD1 LEU 8 -1.734 6.085 -7.965 61 HD21 LEU 8 1HD2 LEU 8 0.021 4.894 -10.216 62 HD22 LEU 8 2HD2 LEU 8 -0.381 6.621 -10.055 63 HD23 LEU 8 3HD2 LEU 8 1.321 6.106 -10.137 64 H GLN 9 H GLN 9 3.076 8.363 -5.761 65 HA GLN 9 HA GLN 9 2.362 11.140 -6.025 66 HB2 GLN 9 1HB GLN 9 2.701 10.016 -3.833 67 HB3 GLN 9 2HB GLN 9 4.409 9.819 -4.197 68 HG2 GLN 9 1HG GLN 9 4.101 11.682 -2.711 69 HG3 GLN 9 2HG GLN 9 4.650 12.282 -4.301 70 HE21 GLN 9 1HE2 GLN 9 2.074 14.583 -4.455 71 HE22 GLN 9 2HE2 GLN 9 3.732 14.169 -4.739 72 H ASP 10 H ASP 10 5.404 9.340 -6.489 73 HA ASP 10 HA ASP 10 6.996 11.580 -7.237 74 HB2 ASP 10 1HB ASP 10 7.152 8.631 -7.948 75 HB3 ASP 10 2HB ASP 10 8.342 9.797 -8.509 76 H LEU 11 H LEU 11 4.894 9.426 -9.139 77 HA LEU 11 HA LEU 11 5.334 10.700 -11.659 78 HB2 LEU 11 1HB LEU 11 4.200 8.529 -11.423 79 HB3 LEU 11 2HB LEU 11 2.863 9.304 -10.568 80 HG LEU 11 HG LEU 11 2.306 10.575 -12.629 81 HD11 LEU 11 1HD1 LEU 11 3.394 9.958 -14.740 82 HD12 LEU 11 2HD1 LEU 11 4.549 10.668 -13.589 83 HD13 LEU 11 3HD1 LEU 11 4.522 8.908 -13.852 84 HD21 LEU 11 1HD2 LEU 11 1.444 8.630 -13.884 85 HD22 LEU 11 2HD2 LEU 11 2.545 7.559 -12.984 86 HD23 LEU 11 3HD2 LEU 11 1.231 8.406 -12.132 87 H THR 12 H THR 12 2.919 11.270 -9.090 88 HA THR 12 HA THR 12 1.466 13.310 -10.391 89 HB THR 12 HB THR 12 2.040 12.992 -7.413 90 HG1 THR 12 HG1 THR 12 0.987 11.195 -8.399 91 HG21 THR 12 1HG2 THR 12 -0.017 14.314 -7.110 92 HG22 THR 12 2HG2 THR 12 1.218 15.252 -7.981 93 HG23 THR 12 3HG2 THR 12 -0.142 14.530 -8.871 94 H ASN 13 H ASN 13 4.513 13.442 -8.610 95 HA ASN 13 HA ASN 13 4.578 16.286 -8.294 96 HB2 ASN 13 1HB ASN 13 6.769 14.191 -8.340 97 HB3 ASN 13 2HB ASN 13 7.074 15.893 -8.012 98 HD21 ASN 13 1HD2 ASN 13 6.624 14.024 -4.822 99 HD22 ASN 13 2HD2 ASN 13 7.645 13.843 -6.210 100 H ASN 14 H ASN 14 5.059 14.275 -11.031 101 HA ASN 14 HA ASN 14 6.535 16.443 -12.443 102 HB2 ASN 14 1HB ASN 14 6.095 13.515 -13.095 103 HB3 ASN 14 2HB ASN 14 6.806 14.657 -14.227 104 HD21 ASN 14 1HD2 ASN 14 8.996 13.030 -11.265 105 HD22 ASN 14 2HD2 ASN 14 7.334 12.628 -11.543 106 H ILE 15 H ILE 15 3.491 15.952 -11.766 107 HA ILE 15 HA ILE 15 2.547 16.531 -14.542 108 HB ILE 15 HB ILE 15 1.019 15.325 -12.196 109 HG12 ILE 15 1HG1 ILE 15 1.752 14.100 -14.864 110 HG13 ILE 15 2HG1 ILE 15 2.646 13.833 -13.376 111 HG21 ILE 15 1HG2 ILE 15 -0.845 15.123 -13.790 112 HG22 ILE 15 2HG2 ILE 15 -0.400 16.827 -13.540 113 HG23 ILE 15 3HG2 ILE 15 0.109 15.985 -15.022 114 HD11 ILE 15 1HD1 ILE 15 1.108 12.003 -13.815 115 HD12 ILE 15 2HD1 ILE 15 0.644 12.867 -12.331 116 HD13 ILE 15 3HD1 ILE 15 -0.262 13.136 -13.838 117 H THR 16 H THR 16 1.901 18.513 -14.945 118 HA THR 16 HA THR 16 1.598 20.395 -12.702 119 HB THR 16 HB THR 16 1.547 22.140 -14.420 120 HG1 THR 16 HG1 THR 16 1.782 20.122 -16.405 121 HG21 THR 16 1HG2 THR 16 3.743 21.742 -15.465 122 HG22 THR 16 2HG2 THR 16 3.752 21.242 -13.757 123 HG23 THR 16 3HG2 THR 16 3.636 20.018 -15.042 124 H LEU 17 H LEU 17 -0.169 22.090 -12.935 125 HA LEU 17 HA LEU 17 -2.684 20.776 -12.624 126 HB2 LEU 17 1HB LEU 17 -1.963 23.700 -13.004 127 HB3 LEU 17 2HB LEU 17 -3.598 23.137 -12.642 128 HG LEU 17 HG LEU 17 -1.185 22.705 -10.846 129 HD11 LEU 17 1HD1 LEU 17 -2.197 24.450 -9.448 130 HD12 LEU 17 2HD1 LEU 17 -1.744 25.072 -11.052 131 HD13 LEU 17 3HD1 LEU 17 -3.449 24.715 -10.684 132 HD21 LEU 17 1HD2 LEU 17 -2.911 22.057 -9.199 133 HD22 LEU 17 2HD2 LEU 17 -4.174 22.288 -10.432 134 HD23 LEU 17 3HD2 LEU 17 -2.963 20.999 -10.630 135 H GLU 18 H GLU 18 -1.239 22.583 -15.315 136 HA GLU 18 HA GLU 18 -3.567 22.562 -16.985 137 HB2 GLU 18 1HB GLU 18 -0.601 22.739 -17.634 138 HB3 GLU 18 2HB GLU 18 -1.862 22.891 -18.848 139 HG2 GLU 18 1HG GLU 18 -2.769 24.850 -17.682 140 HG3 GLU 18 2HG GLU 18 -1.533 24.689 -16.436 141 H ASP 19 H ASP 19 -0.875 20.289 -16.558 142 HA ASP 19 HA ASP 19 -1.635 18.470 -18.622 143 HB2 ASP 19 1HB ASP 19 -0.143 18.075 -16.004 144 HB3 ASP 19 2HB ASP 19 -0.391 16.774 -17.162 145 H LEU 20 H LEU 20 -2.575 18.721 -15.200 146 HA LEU 20 HA LEU 20 -4.091 16.321 -15.078 147 HB2 LEU 20 1HB LEU 20 -4.305 18.946 -13.576 148 HB3 LEU 20 2HB LEU 20 -5.322 17.550 -13.206 149 HG LEU 20 HG LEU 20 -2.286 17.559 -13.060 150 HD11 LEU 20 1HD1 LEU 20 -2.625 17.621 -10.630 151 HD12 LEU 20 2HD1 LEU 20 -3.269 19.079 -11.422 152 HD13 LEU 20 3HD1 LEU 20 -4.378 17.797 -10.879 153 HD21 LEU 20 1HD2 LEU 20 -2.644 15.431 -11.856 154 HD22 LEU 20 2HD2 LEU 20 -4.398 15.575 -12.122 155 HD23 LEU 20 3HD2 LEU 20 -3.303 15.351 -13.507 156 H GLU 21 H GLU 21 -4.966 19.614 -16.079 157 HA GLU 21 HA GLU 21 -7.767 19.114 -16.386 158 HB2 GLU 21 1HB GLU 21 -5.911 21.133 -17.702 159 HB3 GLU 21 2HB GLU 21 -7.652 21.123 -17.943 160 HG2 GLU 21 1HG GLU 21 -6.223 21.500 -15.303 161 HG3 GLU 21 2HG GLU 21 -6.975 22.764 -16.273 162 H GLN 22 H GLN 22 -5.011 18.809 -18.615 163 HA GLN 22 HA GLN 22 -6.560 17.925 -20.861 164 HB2 GLN 22 1HB GLN 22 -4.187 18.708 -20.993 165 HB3 GLN 22 2HB GLN 22 -3.678 17.254 -20.146 166 HG2 GLN 22 1HG GLN 22 -3.295 16.991 -22.500 167 HG3 GLN 22 2HG GLN 22 -4.603 15.884 -21.996 168 HE21 GLN 22 1HE2 GLN 22 -6.645 16.994 -24.559 169 HE22 GLN 22 2HE2 GLN 22 -6.002 15.690 -23.616 170 H LEU 23 H LEU 23 -5.128 16.257 -18.090 171 HA LEU 23 HA LEU 23 -5.625 13.601 -19.086 172 HB2 LEU 23 1HB LEU 23 -5.156 14.701 -16.297 173 HB3 LEU 23 2HB LEU 23 -5.351 12.979 -16.636 174 HG LEU 23 HG LEU 23 -3.155 14.739 -17.783 175 HD11 LEU 23 1HD1 LEU 23 -1.698 13.540 -16.212 176 HD12 LEU 23 2HD1 LEU 23 -2.951 14.475 -15.363 177 HD13 LEU 23 3HD1 LEU 23 -3.116 12.711 -15.530 178 HD21 LEU 23 1HD2 LEU 23 -2.189 12.572 -18.476 179 HD22 LEU 23 2HD2 LEU 23 -3.614 11.728 -17.826 180 HD23 LEU 23 3HD2 LEU 23 -3.788 12.826 -19.216 181 H LYS 24 H LYS 24 -7.480 15.895 -17.132 182 HA LYS 24 HA LYS 24 -9.603 14.187 -16.367 183 HB2 LYS 24 1HB LYS 24 -9.514 17.154 -17.003 184 HB3 LYS 24 2HB LYS 24 -10.980 16.358 -16.449 185 HG2 LYS 24 1HG LYS 24 -9.893 15.719 -14.360 186 HG3 LYS 24 2HG LYS 24 -8.361 16.403 -14.921 187 HD2 LYS 24 1HD LYS 24 -9.450 18.640 -15.088 188 HD3 LYS 24 2HD LYS 24 -10.945 17.937 -14.452 189 HE2 LYS 24 1HE LYS 24 -9.784 17.313 -12.371 190 HE3 LYS 24 2HE LYS 24 -8.271 17.966 -13.004 191 HZ1 LYS 24 1HZ LYS 24 -9.366 19.519 -11.561 192 HZ2 LYS 24 2HZ LYS 24 -9.308 20.129 -13.094 193 HZ3 LYS 24 3HZ LYS 24 -10.722 19.519 -12.501 194 H SER 25 H SER 25 -9.108 16.041 -19.367 195 HA SER 25 HA SER 25 -11.547 15.101 -20.599 196 HB2 SER 25 1HB SER 25 -8.989 16.239 -21.771 197 HB3 SER 25 2HB SER 25 -10.436 15.897 -22.707 198 HG SER 25 HG SER 25 -10.022 17.760 -20.672 199 H ALA 26 H ALA 26 -8.166 14.016 -20.598 200 HA ALA 26 HA ALA 26 -8.407 12.101 -22.674 201 HB1 ALA 26 1HB ALA 26 -6.382 11.075 -21.691 202 HB2 ALA 26 2HB ALA 26 -6.241 12.847 -21.793 203 HB3 ALA 26 3HB ALA 26 -6.595 12.071 -20.232 204 H CYS 27 H CYS 27 -9.216 11.940 -19.252 205 HA CYS 27 HA CYS 27 -10.280 9.189 -19.744 206 HB2 CYS 27 1HB CYS 27 -9.818 8.626 -17.435 207 HB3 CYS 27 2HB CYS 27 -8.336 9.212 -18.177 208 HG CYS 27 HG CYS 27 -10.447 10.923 -16.333 209 H LYS 28 H LYS 28 -11.710 11.595 -20.264 210 HA LYS 28 HA LYS 28 -13.411 12.417 -18.165 211 HB2 LYS 28 1HB LYS 28 -13.270 13.520 -20.394 212 HB3 LYS 28 2HB LYS 28 -14.082 12.142 -21.122 213 HG2 LYS 28 1HG LYS 28 -16.101 12.598 -19.820 214 HG3 LYS 28 2HG LYS 28 -15.287 13.936 -18.995 215 HD2 LYS 28 1HD LYS 28 -15.002 15.108 -21.148 216 HD3 LYS 28 2HD LYS 28 -15.782 13.760 -21.992 217 HE2 LYS 28 1HE LYS 28 -17.854 14.150 -20.693 218 HE3 LYS 28 2HE LYS 28 -17.078 15.497 -19.857 219 HZ1 LYS 28 1HZ LYS 28 -18.425 16.248 -21.677 220 HZ2 LYS 28 2HZ LYS 28 -16.842 16.600 -21.975 221 HZ3 LYS 28 3HZ LYS 28 -17.569 15.342 -22.756 222 H GLU 29 H GLU 29 -13.521 9.561 -20.226 223 HA GLU 29 HA GLU 29 -16.168 8.736 -19.454 224 HB2 GLU 29 1HB GLU 29 -13.791 7.190 -20.558 225 HB3 GLU 29 2HB GLU 29 -15.371 6.469 -20.286 226 HG2 GLU 29 1HG GLU 29 -16.381 8.029 -21.878 227 HG3 GLU 29 2HG GLU 29 -14.821 8.810 -22.123 228 H ASP 30 H ASP 30 -12.962 8.290 -18.071 229 HA ASP 30 HA ASP 30 -13.810 6.186 -16.248 230 HB2 ASP 30 1HB ASP 30 -11.308 7.912 -16.374 231 HB3 ASP 30 2HB ASP 30 -11.551 6.646 -15.179 232 H ILE 31 H ILE 31 -13.145 9.678 -15.983 233 HA ILE 31 HA ILE 31 -14.438 9.597 -13.290 234 HB ILE 31 HB ILE 31 -12.363 11.555 -14.364 235 HG12 ILE 31 1HG1 ILE 31 -12.141 9.519 -12.136 236 HG13 ILE 31 2HG1 ILE 31 -11.521 9.287 -13.763 237 HG21 ILE 31 1HG2 ILE 31 -12.419 12.515 -12.098 238 HG22 ILE 31 2HG2 ILE 31 -14.004 12.657 -12.891 239 HG23 ILE 31 3HG2 ILE 31 -13.737 11.405 -11.655 240 HD11 ILE 31 1HD1 ILE 31 -9.758 9.992 -12.244 241 HD12 ILE 31 2HD1 ILE 31 -10.043 11.231 -13.490 242 HD13 ILE 31 3HD1 ILE 31 -10.669 11.465 -11.841 243 HA PRO 32 HA PRO 32 -17.710 11.676 -15.430 244 HB2 PRO 32 1HB PRO 32 -18.489 12.110 -12.520 245 HB3 PRO 32 2HB PRO 32 -19.502 11.597 -13.874 246 HG2 PRO 32 1HG PRO 32 -18.669 9.748 -12.152 247 HG3 PRO 32 2HG PRO 32 -18.621 9.385 -13.880 248 HD2 PRO 32 1HD PRO 32 -16.357 10.237 -12.035 249 HD3 PRO 32 2HD PRO 32 -16.354 8.986 -13.342 250 H SER 33 H SER 33 -18.272 13.848 -15.763 251 HA SER 33 HA SER 33 -16.207 15.728 -15.282 252 HB2 SER 33 1HB SER 33 -17.683 17.355 -16.285 253 HB3 SER 33 2HB SER 33 -17.843 15.836 -17.151 254 HG SER 33 HG SER 33 -19.621 17.199 -15.598 255 H GLU 34 H GLU 34 -19.153 14.998 -13.500 256 HA GLU 34 HA GLU 34 -19.095 17.281 -11.770 257 HB2 GLU 34 1HB GLU 34 -20.206 14.475 -11.391 258 HB3 GLU 34 2HB GLU 34 -20.432 15.770 -10.223 259 HG2 GLU 34 1HG GLU 34 -21.620 17.103 -11.895 260 HG3 GLU 34 2HG GLU 34 -21.352 15.850 -13.104 261 H LYS 35 H LYS 35 -17.378 14.215 -11.774 262 HA LYS 35 HA LYS 35 -16.314 14.693 -9.067 263 HB2 LYS 35 1HB LYS 35 -15.819 12.474 -11.091 264 HB3 LYS 35 2HB LYS 35 -15.076 12.541 -9.499 265 HG2 LYS 35 1HG LYS 35 -18.044 12.319 -10.080 266 HG3 LYS 35 2HG LYS 35 -16.979 11.033 -9.496 267 HD2 LYS 35 1HD LYS 35 -16.591 12.222 -7.411 268 HD3 LYS 35 2HD LYS 35 -17.482 13.632 -8.002 269 HE2 LYS 35 1HE LYS 35 -19.542 12.255 -8.149 270 HE3 LYS 35 2HE LYS 35 -18.649 10.865 -7.526 271 HZ1 LYS 35 1HZ LYS 35 -19.860 11.982 -5.801 272 HZ2 LYS 35 2HZ LYS 35 -18.241 12.105 -5.512 273 HZ3 LYS 35 3HZ LYS 35 -19.075 13.402 -6.094 274 H SER 36 H SER 36 -15.423 15.220 -12.377 275 HA SER 36 HA SER 36 -12.603 15.615 -11.915 276 HB2 SER 36 1HB SER 36 -12.546 16.536 -14.094 277 HB3 SER 36 2HB SER 36 -13.766 15.274 -14.151 278 HG SER 36 HG SER 36 -15.219 17.114 -13.541 279 H GLU 37 H GLU 37 -15.438 17.478 -11.237 280 HA GLU 37 HA GLU 37 -13.939 19.979 -10.878 281 HB2 GLU 37 1HB GLU 37 -16.799 19.186 -10.198 282 HB3 GLU 37 2HB GLU 37 -16.130 20.787 -9.914 283 HG2 GLU 37 1HG GLU 37 -15.734 21.067 -12.315 284 HG3 GLU 37 2HG GLU 37 -16.356 19.447 -12.618 285 H GLU 38 H GLU 38 -14.645 17.151 -9.064 286 HA GLU 38 HA GLU 38 -14.260 18.460 -6.461 287 HB2 GLU 38 1HB GLU 38 -14.521 15.533 -7.256 288 HB3 GLU 38 2HB GLU 38 -14.349 16.093 -5.599 289 HG2 GLU 38 1HG GLU 38 -16.448 17.384 -5.834 290 HG3 GLU 38 2HG GLU 38 -16.625 16.767 -7.475 291 H ILE 39 H ILE 39 -12.287 17.328 -8.959 292 HA ILE 39 HA ILE 39 -10.066 16.437 -7.301 293 HB ILE 39 HB ILE 39 -10.242 17.183 -10.250 294 HG12 ILE 39 1HG1 ILE 39 -9.978 14.477 -8.924 295 HG13 ILE 39 2HG1 ILE 39 -11.497 15.163 -9.480 296 HG21 ILE 39 1HG2 ILE 39 -8.018 16.147 -10.456 297 HG22 ILE 39 2HG2 ILE 39 -7.964 17.570 -9.389 298 HG23 ILE 39 3HG2 ILE 39 -7.949 15.934 -8.690 299 HD11 ILE 39 1HD1 ILE 39 -10.591 13.602 -11.109 300 HD12 ILE 39 2HD1 ILE 39 -10.630 15.252 -11.777 301 HD13 ILE 39 3HD1 ILE 39 -9.092 14.554 -11.214 302 H THR 40 H THR 40 -8.743 17.665 -6.187 303 HA THR 40 HA THR 40 -8.282 20.458 -7.153 304 HB THR 40 HB THR 40 -7.753 21.060 -4.813 305 HG1 THR 40 HG1 THR 40 -7.366 19.504 -3.446 306 HG21 THR 40 1HG2 THR 40 -10.028 20.864 -3.884 307 HG22 THR 40 2HG2 THR 40 -10.080 21.290 -5.612 308 HG23 THR 40 3HG2 THR 40 -10.420 19.623 -5.096 309 H THR 41 H THR 41 -6.881 17.405 -6.317 310 HA THR 41 HA THR 41 -4.198 18.558 -6.945 311 HB THR 41 HB THR 41 -3.146 17.042 -5.353 312 HG1 THR 41 HG1 THR 41 -4.202 15.374 -4.591 313 HG21 THR 41 1HG2 THR 41 -4.024 17.949 -3.238 314 HG22 THR 41 2HG2 THR 41 -3.930 19.217 -4.484 315 HG23 THR 41 3HG2 THR 41 -5.499 18.485 -4.076 316 H GLY 42 H GLY 42 -2.627 16.904 -7.699 317 HA2 GLY 42 1HA GLY 42 -3.693 15.285 -9.818 318 HA3 GLY 42 2HA GLY 42 -2.042 15.255 -9.225 319 H SER 43 H SER 43 -2.718 14.628 -6.469 320 HA SER 43 HA SER 43 -2.861 11.770 -6.635 321 HB2 SER 43 1HB SER 43 -2.891 11.824 -4.212 322 HB3 SER 43 2HB SER 43 -1.737 13.009 -4.805 323 HG SER 43 HG SER 43 -3.296 13.616 -3.118 324 H ALA 44 H ALA 44 -5.267 14.288 -6.053 325 HA ALA 44 HA ALA 44 -7.427 12.531 -5.391 326 HB1 ALA 44 1HB ALA 44 -8.877 14.421 -6.061 327 HB2 ALA 44 2HB ALA 44 -7.540 14.954 -5.014 328 HB3 ALA 44 3HB ALA 44 -7.466 15.242 -6.767 329 H TRP 45 H TRP 45 -6.190 13.764 -8.488 330 HA TRP 45 HA TRP 45 -8.167 12.664 -10.178 331 HB2 TRP 45 1HB TRP 45 -6.365 14.226 -10.911 332 HB3 TRP 45 2HB TRP 45 -5.183 12.940 -10.721 333 HD1 TRP 45 HD1 TRP 45 -8.322 13.762 -12.861 334 HE1 TRP 45 HE1 TRP 45 -8.099 12.558 -15.138 335 HE3 TRP 45 HE3 TRP 45 -4.017 11.131 -11.941 336 HZ2 TRP 45 HZ2 TRP 45 -6.317 10.739 -16.359 337 HZ3 TRP 45 HZ3 TRP 45 -3.106 9.675 -13.705 338 HH2 TRP 45 HH2 TRP 45 -4.231 9.480 -15.883 339 H PHE 46 H PHE 46 -5.148 11.209 -8.945 340 HA PHE 46 HA PHE 46 -5.555 8.672 -10.232 341 HB2 PHE 46 1HB PHE 46 -3.890 9.547 -7.849 342 HB3 PHE 46 2HB PHE 46 -3.921 7.882 -8.405 343 HD1 PHE 46 HD1 PHE 46 -2.393 11.054 -8.776 344 HD2 PHE 46 HD2 PHE 46 -3.361 7.484 -10.913 345 HE1 PHE 46 HE1 PHE 46 -0.646 11.581 -10.444 346 HE2 PHE 46 HE2 PHE 46 -1.614 8.006 -12.582 347 HZ PHE 46 HZ PHE 46 -0.257 10.057 -12.348 348 H SER 47 H SER 47 -6.528 10.021 -7.108 349 HA SER 47 HA SER 47 -7.319 7.564 -5.895 350 HB2 SER 47 1HB SER 47 -8.300 10.405 -5.466 351 HB3 SER 47 2HB SER 47 -8.719 9.049 -4.430 352 HG SER 47 HG SER 47 -6.176 10.116 -4.966 353 H PHE 48 H PHE 48 -9.073 9.894 -7.928 354 HA PHE 48 HA PHE 48 -11.646 8.664 -7.600 355 HB2 PHE 48 1HB PHE 48 -10.439 10.622 -9.546 356 HB3 PHE 48 2HB PHE 48 -11.992 9.897 -9.924 357 HD1 PHE 48 HD1 PHE 48 -10.421 12.600 -8.380 358 HD2 PHE 48 HD2 PHE 48 -13.732 9.944 -7.898 359 HE1 PHE 48 HE1 PHE 48 -11.546 14.266 -6.939 360 HE2 PHE 48 HE2 PHE 48 -14.861 11.607 -6.460 361 HZ PHE 48 HZ PHE 48 -13.766 13.768 -5.979 362 H LEU 49 H LEU 49 -9.018 8.238 -9.949 363 HA LEU 49 HA LEU 49 -10.340 6.492 -11.736 364 HB2 LEU 49 1HB LEU 49 -7.439 6.632 -10.853 365 HB3 LEU 49 2HB LEU 49 -8.006 5.583 -12.155 366 HG LEU 49 HG LEU 49 -8.251 8.612 -12.154 367 HD11 LEU 49 1HD1 LEU 49 -6.415 8.539 -13.781 368 HD12 LEU 49 2HD1 LEU 49 -5.916 7.899 -12.197 369 HD13 LEU 49 3HD1 LEU 49 -6.269 6.782 -13.537 370 HD21 LEU 49 1HD2 LEU 49 -8.791 8.262 -14.540 371 HD22 LEU 49 2HD2 LEU 49 -8.679 6.501 -14.308 372 HD23 LEU 49 3HD2 LEU 49 -9.960 7.427 -13.490 373 H GLU 50 H GLU 50 -8.659 5.828 -8.672 374 HA GLU 50 HA GLU 50 -9.080 2.976 -8.780 375 HB2 GLU 50 1HB GLU 50 -8.513 4.876 -6.473 376 HB3 GLU 50 2HB GLU 50 -8.622 3.132 -6.283 377 HG2 GLU 50 1HG GLU 50 -6.750 2.840 -7.856 378 HG3 GLU 50 2HG GLU 50 -6.639 4.589 -8.045 379 H SER 51 H SER 51 -10.905 5.706 -7.435 380 HA SER 51 HA SER 51 -12.702 4.048 -5.905 381 HB2 SER 51 1HB SER 51 -13.888 6.064 -5.444 382 HB3 SER 51 2HB SER 51 -12.180 6.479 -5.475 383 HG SER 51 HG SER 51 -12.935 6.720 -7.907 384 H HIS 52 H HIS 52 -12.562 5.033 -9.223 385 HA HIS 52 HA HIS 52 -15.387 4.199 -9.672 386 HB2 HIS 52 1HB HIS 52 -13.355 5.513 -11.511 387 HB3 HIS 52 2HB HIS 52 -14.970 5.020 -12.003 388 HD1 HIS 52 HD1 HIS 52 -16.861 6.088 -10.053 389 HD2 HIS 52 HD2 HIS 52 -13.361 8.273 -10.912 390 HE1 HIS 52 HE1 HIS 52 -17.359 8.411 -9.482 391 H ASN 53 H ASN 53 -12.698 2.584 -9.189 392 HA ASN 53 HA ASN 53 -11.920 0.517 -9.833 393 HB2 ASN 53 1HB ASN 53 -14.681 0.306 -11.079 394 HB3 ASN 53 2HB ASN 53 -13.563 -1.036 -10.879 395 HD21 ASN 53 1HD2 ASN 53 -16.093 -0.470 -8.020 396 HD22 ASN 53 2HD2 ASN 53 -16.282 -0.193 -9.720 397 H LYS 54 H LYS 54 -11.179 2.695 -11.429 398 HA LYS 54 HA LYS 54 -11.123 1.462 -14.149 399 HB2 LYS 54 1HB LYS 54 -10.623 4.355 -13.341 400 HB3 LYS 54 2HB LYS 54 -10.572 3.725 -14.982 401 HG2 LYS 54 1HG LYS 54 -13.023 3.774 -13.196 402 HG3 LYS 54 2HG LYS 54 -12.668 4.909 -14.506 403 HD2 LYS 54 1HD LYS 54 -12.651 3.003 -16.116 404 HD3 LYS 54 2HD LYS 54 -13.091 1.912 -14.794 405 HE2 LYS 54 1HE LYS 54 -15.166 3.226 -14.418 406 HE3 LYS 54 2HE LYS 54 -14.733 4.279 -15.769 407 HZ1 LYS 54 1HZ LYS 54 -16.266 2.577 -16.432 408 HZ2 LYS 54 2HZ LYS 54 -14.829 2.366 -17.215 409 HZ3 LYS 54 3HZ LYS 54 -15.234 1.384 -15.954 410 H LEU 55 H LEU 55 -9.227 2.493 -11.427 411 HA LEU 55 HA LEU 55 -6.777 1.645 -12.913 412 HB2 LEU 55 1HB LEU 55 -6.660 4.040 -12.593 413 HB3 LEU 55 2HB LEU 55 -7.102 3.886 -10.889 414 HG LEU 55 HG LEU 55 -4.936 2.689 -10.488 415 HD11 LEU 55 1HD1 LEU 55 -3.211 2.809 -12.229 416 HD12 LEU 55 2HD1 LEU 55 -4.604 1.832 -12.751 417 HD13 LEU 55 3HD1 LEU 55 -4.400 3.491 -13.362 418 HD21 LEU 55 1HD2 LEU 55 -3.561 4.735 -10.659 419 HD22 LEU 55 2HD2 LEU 55 -4.755 5.447 -11.770 420 HD23 LEU 55 3HD2 LEU 55 -5.200 5.112 -10.079 421 H ASP 56 H ASP 56 -5.800 -0.060 -12.087 422 HA ASP 56 HA ASP 56 -6.351 -0.832 -9.282 423 HB2 ASP 56 1HB ASP 56 -4.854 -2.232 -11.533 424 HB3 ASP 56 2HB ASP 56 -4.992 -2.874 -9.902 425 H LYS 57 H LYS 57 -4.636 -1.381 -7.823 426 HA LYS 57 HA LYS 57 -2.484 0.598 -7.917 427 HB2 LYS 57 1HB LYS 57 -3.231 -1.549 -5.895 428 HB3 LYS 57 2HB LYS 57 -1.855 -0.472 -5.697 429 HG2 LYS 57 1HG LYS 57 -3.401 1.477 -5.767 430 HG3 LYS 57 2HG LYS 57 -4.765 0.357 -5.880 431 HD2 LYS 57 1HD LYS 57 -4.098 -0.663 -3.719 432 HD3 LYS 57 2HD LYS 57 -2.750 0.477 -3.605 433 HE2 LYS 57 1HE LYS 57 -5.686 1.252 -3.747 434 HE3 LYS 57 2HE LYS 57 -4.722 1.190 -2.270 435 HZ1 LYS 57 1HZ LYS 57 -4.854 3.405 -3.145 436 HZ2 LYS 57 2HZ LYS 57 -3.292 2.877 -3.202 437 HZ3 LYS 57 3HZ LYS 57 -4.194 2.936 -4.581 438 H ASP 58 H ASP 58 -2.892 -2.776 -8.649 439 HA ASP 58 HA ASP 58 0.034 -3.198 -8.761 440 HB2 ASP 58 1HB ASP 58 -2.315 -5.062 -9.283 441 HB3 ASP 58 2HB ASP 58 -0.629 -5.533 -9.446 442 H ASN 59 H ASN 59 -2.768 -2.813 -10.870 443 HA ASN 59 HA ASN 59 -0.959 -3.062 -13.231 444 HB2 ASN 59 1HB ASN 59 -2.944 -4.550 -13.197 445 HB3 ASN 59 2HB ASN 59 -3.992 -3.141 -13.098 446 HD21 ASN 59 1HD2 ASN 59 -3.737 -4.278 -16.626 447 HD22 ASN 59 2HD2 ASN 59 -4.190 -5.017 -15.127 448 H LEU 60 H LEU 60 -0.071 -1.183 -13.694 449 HA LEU 60 HA LEU 60 -1.719 1.271 -13.362 450 HB2 LEU 60 1HB LEU 60 1.280 0.933 -13.715 451 HB3 LEU 60 2HB LEU 60 0.445 2.470 -13.477 452 HG LEU 60 HG LEU 60 0.605 0.200 -11.462 453 HD11 LEU 60 1HD1 LEU 60 2.027 1.763 -10.216 454 HD12 LEU 60 2HD1 LEU 60 2.729 1.354 -11.798 455 HD13 LEU 60 3HD1 LEU 60 1.928 2.925 -11.559 456 HD21 LEU 60 1HD2 LEU 60 -0.466 1.828 -9.940 457 HD22 LEU 60 2HD2 LEU 60 -0.602 2.991 -11.281 458 HD23 LEU 60 3HD2 LEU 60 -1.516 1.465 -11.332 459 H SER 61 H SER 61 -1.335 -0.855 -15.701 460 HA SER 61 HA SER 61 -0.342 0.686 -17.913 461 HB2 SER 61 1HB SER 61 -1.154 -1.085 -19.289 462 HB3 SER 61 2HB SER 61 -0.552 -1.823 -17.812 463 HG SER 61 HG SER 61 -2.614 -1.991 -17.065 464 H TYR 62 H TYR 62 -3.369 0.622 -16.232 465 HA TYR 62 HA TYR 62 -5.027 1.800 -18.230 466 HB2 TYR 62 1HB TYR 62 -5.081 2.213 -15.213 467 HB3 TYR 62 2HB TYR 62 -6.381 2.619 -16.324 468 HD1 TYR 62 HD1 TYR 62 -5.144 0.185 -14.121 469 HD2 TYR 62 HD2 TYR 62 -7.203 0.617 -17.860 470 HE1 TYR 62 HE1 TYR 62 -6.070 -2.093 -13.874 471 HE2 TYR 62 HE2 TYR 62 -8.129 -1.661 -17.614 472 HH TYR 62 HH TYR 62 -7.470 -3.611 -14.720 473 H ILE 63 H ILE 63 -2.646 3.180 -16.013 474 HA ILE 63 HA ILE 63 -3.269 5.926 -16.624 475 HB ILE 63 HB ILE 63 -0.756 4.618 -15.506 476 HG12 ILE 63 1HG1 ILE 63 -2.848 6.276 -14.089 477 HG13 ILE 63 2HG1 ILE 63 -2.919 4.523 -14.189 478 HG21 ILE 63 1HG2 ILE 63 -0.081 6.894 -14.852 479 HG22 ILE 63 2HG2 ILE 63 -0.199 6.745 -16.621 480 HG23 ILE 63 3HG2 ILE 63 -1.489 7.562 -15.709 481 HD11 ILE 63 1HD1 ILE 63 -1.941 5.243 -12.082 482 HD12 ILE 63 2HD1 ILE 63 -0.743 4.358 -13.059 483 HD13 ILE 63 3HD1 ILE 63 -0.672 6.134 -12.955 484 H GLU 64 H GLU 64 -0.899 3.592 -17.899 485 HA GLU 64 HA GLU 64 0.432 5.310 -19.699 486 HB2 GLU 64 1HB GLU 64 -0.233 2.349 -19.941 487 HB3 GLU 64 2HB GLU 64 0.856 3.200 -21.027 488 HG2 GLU 64 1HG GLU 64 2.380 3.683 -19.208 489 HG3 GLU 64 2HG GLU 64 1.256 2.998 -18.036 490 H HIS 65 H HIS 65 -2.548 3.402 -20.149 491 HA HIS 65 HA HIS 65 -3.040 4.111 -22.859 492 HB2 HIS 65 1HB HIS 65 -4.289 2.344 -21.678 493 HB3 HIS 65 2HB HIS 65 -5.026 3.546 -20.627 494 HD1 HIS 65 HD1 HIS 65 -4.901 2.609 -24.322 495 HD2 HIS 65 HD2 HIS 65 -7.479 4.590 -21.641 496 HE1 HIS 65 HE1 HIS 65 -6.908 3.161 -25.601 497 H ILE 66 H ILE 66 -4.127 5.687 -19.841 498 HA ILE 66 HA ILE 66 -5.570 7.782 -21.114 499 HB ILE 66 HB ILE 66 -4.215 7.625 -18.394 500 HG12 ILE 66 1HG1 ILE 66 -7.150 7.555 -19.111 501 HG13 ILE 66 2HG1 ILE 66 -6.162 6.112 -18.941 502 HG21 ILE 66 1HG2 ILE 66 -5.515 9.629 -17.799 503 HG22 ILE 66 2HG2 ILE 66 -4.357 9.982 -19.102 504 HG23 ILE 66 3HG2 ILE 66 -6.082 9.765 -19.480 505 HD11 ILE 66 1HD1 ILE 66 -7.410 6.565 -16.906 506 HD12 ILE 66 2HD1 ILE 66 -5.661 6.714 -16.613 507 HD13 ILE 66 3HD1 ILE 66 -6.664 8.175 -16.784 508 H PHE 67 H PHE 67 -2.170 7.537 -20.099 509 HA PHE 67 HA PHE 67 -1.536 10.276 -20.717 510 HB2 PHE 67 1HB PHE 67 0.135 7.783 -20.287 511 HB3 PHE 67 2HB PHE 67 0.870 9.316 -20.731 512 HD1 PHE 67 HD1 PHE 67 -1.962 10.115 -18.869 513 HD2 PHE 67 HD2 PHE 67 1.982 8.534 -18.422 514 HE1 PHE 67 HE1 PHE 67 -1.957 10.801 -16.493 515 HE2 PHE 67 HE2 PHE 67 1.989 9.216 -16.046 516 HZ PHE 67 HZ PHE 67 0.019 10.352 -15.082 517 H GLU 68 H GLU 68 -1.581 7.286 -22.572 518 HA GLU 68 HA GLU 68 -0.256 8.320 -24.901 519 HB2 GLU 68 1HB GLU 68 -0.657 5.894 -24.485 520 HB3 GLU 68 2HB GLU 68 -2.384 6.149 -24.690 521 HG2 GLU 68 1HG GLU 68 -1.469 5.219 -26.702 522 HG3 GLU 68 2HG GLU 68 -1.995 6.871 -27.017 523 H ILE 69 H ILE 69 -3.625 8.346 -23.794 524 HA ILE 69 HA ILE 69 -4.694 9.594 -26.150 525 HB ILE 69 HB ILE 69 -5.656 9.533 -23.263 526 HG12 ILE 69 1HG1 ILE 69 -6.739 8.112 -25.701 527 HG13 ILE 69 2HG1 ILE 69 -5.565 7.398 -24.606 528 HG21 ILE 69 1HG2 ILE 69 -7.801 10.376 -24.130 529 HG22 ILE 69 2HG2 ILE 69 -6.499 11.562 -24.381 530 HG23 ILE 69 3HG2 ILE 69 -7.076 10.573 -25.742 531 HD11 ILE 69 1HD1 ILE 69 -7.821 6.667 -24.072 532 HD12 ILE 69 2HD1 ILE 69 -7.145 7.633 -22.739 533 HD13 ILE 69 3HD1 ILE 69 -8.335 8.354 -23.849 534 H SER 70 H SER 70 -3.390 10.867 -23.093 535 HA SER 70 HA SER 70 -4.009 13.621 -23.829 536 HB2 SER 70 1HB SER 70 -2.977 14.210 -21.742 537 HB3 SER 70 2HB SER 70 -3.963 12.781 -21.473 538 HG SER 70 HG SER 70 -1.397 12.281 -22.257 539 H ARG 71 H ARG 71 -1.676 11.466 -24.826 540 HA ARG 71 HA ARG 71 0.295 11.710 -25.988 541 HB2 ARG 71 1HB ARG 71 -0.270 14.684 -26.089 542 HB3 ARG 71 2HB ARG 71 0.698 13.732 -27.204 543 HG2 ARG 71 1HG ARG 71 -2.308 13.698 -26.891 544 HG3 ARG 71 2HG ARG 71 -1.350 14.249 -28.288 545 HD2 ARG 71 1HD ARG 71 -1.468 11.430 -27.244 546 HD3 ARG 71 2HD ARG 71 -2.358 12.061 -28.648 547 HE ARG 71 HE ARG 71 0.101 12.662 -29.402 548 HH11 ARG 71 1HH1 ARG 71 -1.049 9.744 -27.821 549 HH12 ARG 71 2HH1 ARG 71 0.162 8.718 -28.554 550 HH21 ARG 71 1HH2 ARG 71 1.669 11.321 -30.349 551 HH22 ARG 71 2HH2 ARG 71 1.701 9.609 -29.985 552 H ARG 72 H ARG 72 0.751 11.396 -23.419 553 HA ARG 72 HA ARG 72 3.027 13.277 -22.966 554 HB2 ARG 72 1HB ARG 72 1.228 12.014 -20.872 555 HB3 ARG 72 2HB ARG 72 2.721 12.868 -20.514 556 HG2 ARG 72 1HG ARG 72 0.364 14.130 -21.931 557 HG3 ARG 72 2HG ARG 72 0.650 14.207 -20.176 558 HD2 ARG 72 1HD ARG 72 2.823 15.256 -20.614 559 HD3 ARG 72 2HD ARG 72 2.446 15.250 -22.352 560 HE ARG 72 HE ARG 72 1.297 16.970 -20.283 561 HH11 ARG 72 1HH1 ARG 72 1.120 15.790 -23.588 562 HH12 ARG 72 2HH1 ARG 72 0.162 17.141 -24.150 563 HH21 ARG 72 1HH2 ARG 72 0.054 18.718 -21.026 564 HH22 ARG 72 2HH2 ARG 72 -0.443 18.798 -22.702 565 HA PRO 73 HA PRO 73 4.437 8.954 -23.369 566 HB2 PRO 73 1HB PRO 73 6.598 9.461 -25.004 567 HB3 PRO 73 2HB PRO 73 4.954 9.276 -25.627 568 HG2 PRO 73 1HG PRO 73 6.470 11.837 -24.967 569 HG3 PRO 73 2HG PRO 73 5.554 11.454 -26.427 570 HD2 PRO 73 1HD PRO 73 4.444 12.927 -24.436 571 HD3 PRO 73 2HD PRO 73 3.458 11.732 -25.371 572 H ASP 74 H ASP 74 6.005 11.956 -22.476 573 HA ASP 74 HA ASP 74 8.360 10.818 -21.271 574 HB2 ASP 74 1HB ASP 74 6.883 13.438 -20.822 575 HB3 ASP 74 2HB ASP 74 8.369 13.022 -19.979 576 H LEU 75 H LEU 75 5.183 11.802 -19.960 577 HA LEU 75 HA LEU 75 5.732 10.811 -17.309 578 HB2 LEU 75 1HB LEU 75 3.139 11.396 -18.777 579 HB3 LEU 75 2HB LEU 75 3.215 10.919 -17.078 580 HG LEU 75 HG LEU 75 4.513 13.417 -18.222 581 HD11 LEU 75 1HD1 LEU 75 2.662 14.609 -17.136 582 HD12 LEU 75 2HD1 LEU 75 2.080 13.508 -18.408 583 HD13 LEU 75 3HD1 LEU 75 1.919 13.053 -16.695 584 HD21 LEU 75 1HD2 LEU 75 4.727 14.023 -15.835 585 HD22 LEU 75 2HD2 LEU 75 4.013 12.459 -15.373 586 HD23 LEU 75 3HD2 LEU 75 5.593 12.510 -16.191 587 H LEU 76 H LEU 76 4.202 9.433 -20.203 588 HA LEU 76 HA LEU 76 3.312 6.995 -19.104 589 HB2 LEU 76 1HB LEU 76 2.885 7.837 -21.430 590 HB3 LEU 76 2HB LEU 76 4.548 7.412 -21.849 591 HG LEU 76 HG LEU 76 2.713 5.290 -20.754 592 HD11 LEU 76 1HD1 LEU 76 1.956 4.814 -23.040 593 HD12 LEU 76 2HD1 LEU 76 1.414 6.416 -22.488 594 HD13 LEU 76 3HD1 LEU 76 2.781 6.280 -23.619 595 HD21 LEU 76 1HD2 LEU 76 4.134 3.884 -22.208 596 HD22 LEU 76 2HD2 LEU 76 4.991 5.337 -22.776 597 HD23 LEU 76 3HD2 LEU 76 5.123 4.834 -21.074 598 H THR 77 H THR 77 6.494 7.790 -20.537 599 HA THR 77 HA THR 77 7.771 5.329 -20.125 600 HB THR 77 HB THR 77 8.954 8.125 -19.845 601 HG1 THR 77 HG1 THR 77 8.146 7.865 -21.894 602 HG21 THR 77 1HG2 THR 77 11.097 7.022 -20.354 603 HG22 THR 77 2HG2 THR 77 10.397 6.386 -18.847 604 HG23 THR 77 3HG2 THR 77 10.288 5.438 -20.348 605 H MET 78 H MET 78 7.407 8.051 -17.847 606 HA MET 78 HA MET 78 8.830 6.890 -15.687 607 HB2 MET 78 1HB MET 78 6.467 8.803 -15.710 608 HB3 MET 78 2HB MET 78 7.375 8.396 -14.262 609 HG2 MET 78 1HG MET 78 9.409 9.347 -15.234 610 HG3 MET 78 2HG MET 78 8.550 9.695 -16.736 611 HE1 MET 78 1HE MET 78 8.862 13.323 -15.539 612 HE2 MET 78 2HE MET 78 10.082 12.027 -15.592 613 HE3 MET 78 3HE MET 78 8.910 12.203 -16.922 614 H VAL 79 H VAL 79 5.424 6.575 -16.652 615 HA VAL 79 HA VAL 79 4.595 5.065 -14.378 616 HB VAL 79 HB VAL 79 3.531 5.117 -17.233 617 HG11 VAL 79 1HG1 VAL 79 1.478 4.150 -16.319 618 HG12 VAL 79 2HG1 VAL 79 2.868 3.052 -16.143 619 HG13 VAL 79 3HG1 VAL 79 2.272 3.966 -14.736 620 HG21 VAL 79 1HG2 VAL 79 1.817 6.607 -16.253 621 HG22 VAL 79 2HG2 VAL 79 2.628 6.498 -14.672 622 HG23 VAL 79 3HG2 VAL 79 3.451 7.280 -16.043 623 H VAL 80 H VAL 80 5.904 4.100 -17.545 624 HA VAL 80 HA VAL 80 5.669 1.301 -17.258 625 HB VAL 80 HB VAL 80 7.798 2.984 -18.640 626 HG11 VAL 80 1HG1 VAL 80 8.405 0.958 -19.872 627 HG12 VAL 80 2HG1 VAL 80 8.725 0.799 -18.129 628 HG13 VAL 80 3HG1 VAL 80 7.303 0.007 -18.850 629 HG21 VAL 80 1HG2 VAL 80 6.524 2.366 -20.669 630 HG22 VAL 80 2HG2 VAL 80 5.365 1.464 -19.665 631 HG23 VAL 80 3HG2 VAL 80 5.496 3.231 -19.503 632 H ASP 81 H ASP 81 8.288 3.501 -16.226 633 HA ASP 81 HA ASP 81 9.939 1.443 -15.106 634 HB2 ASP 81 1HB ASP 81 9.761 4.434 -14.600 635 HB3 ASP 81 2HB ASP 81 10.944 3.406 -13.802 636 H TYR 82 H TYR 82 7.418 3.545 -13.735 637 HA TYR 82 HA TYR 82 7.825 2.661 -11.022 638 HB2 TYR 82 1HB TYR 82 5.444 3.989 -12.376 639 HB3 TYR 82 2HB TYR 82 5.557 3.702 -10.645 640 HD1 TYR 82 HD1 TYR 82 8.712 4.262 -10.755 641 HD2 TYR 82 HD2 TYR 82 5.185 6.387 -11.961 642 HE1 TYR 82 HE1 TYR 82 9.908 6.407 -10.477 643 HE2 TYR 82 HE2 TYR 82 6.382 8.532 -11.683 644 HH TYR 82 HH TYR 82 9.773 8.620 -10.612 645 H ARG 83 H ARG 83 5.622 1.665 -13.625 646 HA ARG 83 HA ARG 83 4.164 -0.246 -12.080 647 HB2 ARG 83 1HB ARG 83 3.384 0.555 -14.264 648 HB3 ARG 83 2HB ARG 83 4.769 -0.180 -15.056 649 HG2 ARG 83 1HG ARG 83 3.973 -2.377 -14.650 650 HG3 ARG 83 2HG ARG 83 2.743 -1.794 -13.501 651 HD2 ARG 83 1HD ARG 83 1.788 -2.377 -15.657 652 HD3 ARG 83 2HD ARG 83 1.595 -0.647 -15.290 653 HE ARG 83 HE ARG 83 2.911 -0.132 -17.093 654 HH11 ARG 83 1HH1 ARG 83 3.293 -3.541 -16.340 655 HH12 ARG 83 2HH1 ARG 83 4.215 -3.886 -17.786 656 HH21 ARG 83 1HH2 ARG 83 4.109 -0.591 -18.966 657 HH22 ARG 83 2HH2 ARG 83 4.678 -2.217 -19.273 658 H THR 84 H THR 84 7.120 -0.506 -14.053 659 HA THR 84 HA THR 84 7.596 -3.269 -13.722 660 HB THR 84 HB THR 84 9.616 -0.988 -13.835 661 HG1 THR 84 HG1 THR 84 8.434 -1.019 -15.711 662 HG21 THR 84 1HG2 THR 84 11.194 -2.724 -14.591 663 HG22 THR 84 2HG2 THR 84 10.603 -3.073 -12.950 664 HG23 THR 84 3HG2 THR 84 9.950 -3.969 -14.340 665 H ARG 85 H ARG 85 8.444 -0.537 -11.597 666 HA ARG 85 HA ARG 85 9.780 -2.097 -9.614 667 HB2 ARG 85 1HB ARG 85 8.303 0.546 -9.460 668 HB3 ARG 85 2HB ARG 85 9.157 -0.153 -8.093 669 HG2 ARG 85 1HG ARG 85 11.268 -0.040 -9.299 670 HG3 ARG 85 2HG ARG 85 10.429 0.576 -10.742 671 HD2 ARG 85 1HD ARG 85 9.716 2.531 -9.497 672 HD3 ARG 85 2HD ARG 85 10.547 1.914 -8.049 673 HE ARG 85 HE ARG 85 12.417 2.000 -10.147 674 HH11 ARG 85 1HH1 ARG 85 10.487 4.213 -8.219 675 HH12 ARG 85 2HH1 ARG 85 11.636 5.526 -8.347 676 HH21 ARG 85 1HH2 ARG 85 13.900 3.711 -10.306 677 HH22 ARG 85 2HH2 ARG 85 13.569 5.243 -9.529 678 H VAL 86 H VAL 86 6.374 -1.112 -9.983 679 HA VAL 86 HA VAL 86 5.366 -2.279 -7.613 680 HB VAL 86 HB VAL 86 4.113 -1.915 -10.362 681 HG11 VAL 86 1HG1 VAL 86 1.946 -2.302 -9.292 682 HG12 VAL 86 2HG1 VAL 86 2.984 -3.746 -9.238 683 HG13 VAL 86 3HG1 VAL 86 2.774 -2.746 -7.780 684 HG21 VAL 86 1HG2 VAL 86 2.962 -0.038 -9.235 685 HG22 VAL 86 2HG2 VAL 86 3.826 -0.416 -7.726 686 HG23 VAL 86 3HG2 VAL 86 4.728 0.149 -9.153 687 H LEU 87 H LEU 87 5.921 -3.692 -10.839 688 HA LEU 87 HA LEU 87 4.814 -6.258 -10.223 689 HB2 LEU 87 1HB LEU 87 6.874 -5.373 -12.269 690 HB3 LEU 87 2HB LEU 87 6.216 -7.010 -12.193 691 HG LEU 87 HG LEU 87 4.549 -4.514 -12.656 692 HD11 LEU 87 1HD1 LEU 87 4.467 -5.262 -14.992 693 HD12 LEU 87 2HD1 LEU 87 6.127 -4.877 -14.483 694 HD13 LEU 87 3HD1 LEU 87 5.607 -6.574 -14.612 695 HD21 LEU 87 1HD2 LEU 87 2.830 -6.163 -13.315 696 HD22 LEU 87 2HD2 LEU 87 3.947 -7.489 -12.911 697 HD23 LEU 87 3HD2 LEU 87 3.343 -6.413 -11.630 698 H LYS 88 H LYS 88 8.053 -4.875 -9.871 699 HA LYS 88 HA LYS 88 9.325 -7.340 -9.093 700 HB2 LYS 88 1HB LYS 88 10.043 -4.419 -8.667 701 HB3 LYS 88 2HB LYS 88 11.054 -5.735 -8.089 702 HG2 LYS 88 1HG LYS 88 11.324 -6.556 -10.396 703 HG3 LYS 88 2HG LYS 88 10.294 -5.242 -10.982 704 HD2 LYS 88 1HD LYS 88 11.889 -3.578 -10.134 705 HD3 LYS 88 2HD LYS 88 12.904 -4.865 -9.466 706 HE2 LYS 88 1HE LYS 88 13.273 -5.762 -11.737 707 HE3 LYS 88 2HE LYS 88 12.247 -4.494 -12.412 708 HZ1 LYS 88 1HZ LYS 88 14.561 -3.940 -12.582 709 HZ2 LYS 88 2HZ LYS 88 13.804 -2.870 -11.579 710 HZ3 LYS 88 3HZ LYS 88 14.764 -4.055 -10.950 711 H ILE 89 H ILE 89 7.691 -4.747 -7.314 712 HA ILE 89 HA ILE 89 8.374 -5.762 -4.705 713 HB ILE 89 HB ILE 89 6.186 -3.876 -5.664 714 HG12 ILE 89 1HG1 ILE 89 8.667 -3.290 -4.042 715 HG13 ILE 89 2HG1 ILE 89 8.625 -3.201 -5.797 716 HG21 ILE 89 1HG2 ILE 89 5.830 -3.331 -3.290 717 HG22 ILE 89 2HG2 ILE 89 5.439 -5.035 -3.620 718 HG23 ILE 89 3HG2 ILE 89 6.971 -4.613 -2.820 719 HD11 ILE 89 1HD1 ILE 89 8.314 -1.006 -4.801 720 HD12 ILE 89 2HD1 ILE 89 6.850 -1.507 -5.682 721 HD13 ILE 89 3HD1 ILE 89 6.894 -1.594 -3.905 722 H SER 90 H SER 90 5.497 -6.084 -6.790 723 HA SER 90 HA SER 90 3.980 -7.603 -4.891 724 HB2 SER 90 1HB SER 90 2.918 -6.440 -6.751 725 HB3 SER 90 2HB SER 90 3.799 -7.417 -7.915 726 HG SER 90 HG SER 90 1.512 -7.922 -6.948 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.842 -4.716 -1.463 2 H2 MET 1 2H MET 1 3.224 -3.949 -1.870 3 H3 MET 1 3H MET 1 2.532 -3.669 -0.418 4 HA MET 1 HA MET 1 1.423 -2.984 -3.021 5 HB2 MET 1 1HB MET 1 0.362 -2.562 -0.202 6 HB3 MET 1 2HB MET 1 -0.300 -1.777 -1.628 7 HG2 MET 1 1HG MET 1 -0.202 -4.772 -1.167 8 HG3 MET 1 2HG MET 1 -1.612 -3.737 -0.932 9 HE1 MET 1 1HE MET 1 -0.075 -5.525 -4.812 10 HE2 MET 1 2HE MET 1 1.074 -4.892 -3.608 11 HE3 MET 1 3HE MET 1 -0.053 -6.197 -3.164 12 H ALA 2 H ALA 2 3.526 -2.222 -0.427 13 HA ALA 2 HA ALA 2 3.483 0.628 -0.616 14 HB1 ALA 2 1HB ALA 2 5.704 0.517 0.467 15 HB2 ALA 2 2HB ALA 2 4.526 -0.553 1.266 16 HB3 ALA 2 3HB ALA 2 5.751 -1.237 0.171 17 H GLU 3 H GLU 3 4.914 -1.850 -2.603 18 HA GLU 3 HA GLU 3 6.807 -0.168 -3.967 19 HB2 GLU 3 1HB GLU 3 6.977 -1.959 -5.571 20 HB3 GLU 3 2HB GLU 3 6.834 -2.683 -3.975 21 HG2 GLU 3 1HG GLU 3 4.378 -2.293 -5.655 22 HG3 GLU 3 2HG GLU 3 5.480 -3.625 -5.997 23 H TYR 4 H TYR 4 3.390 -0.365 -4.056 24 HA TYR 4 HA TYR 4 3.307 1.080 -6.652 25 HB2 TYR 4 1HB TYR 4 1.133 -0.117 -4.895 26 HB3 TYR 4 2HB TYR 4 0.787 0.892 -6.293 27 HD1 TYR 4 HD1 TYR 4 1.547 -2.408 -5.130 28 HD2 TYR 4 HD2 TYR 4 1.675 0.150 -8.573 29 HE1 TYR 4 HE1 TYR 4 1.689 -4.390 -6.599 30 HE2 TYR 4 HE2 TYR 4 1.816 -1.833 -10.042 31 HH TYR 4 HH TYR 4 1.817 -5.125 -8.692 32 H GLY 5 H GLY 5 2.394 1.450 -3.228 33 HA2 GLY 5 1HA GLY 5 1.045 3.914 -3.430 34 HA3 GLY 5 2HA GLY 5 1.871 3.342 -1.993 35 H THR 6 H THR 6 4.516 3.247 -2.869 36 HA THR 6 HA THR 6 5.314 5.952 -2.510 37 HB THR 6 HB THR 6 6.908 3.581 -3.575 38 HG1 THR 6 HG1 THR 6 6.347 3.131 -1.507 39 HG21 THR 6 1HG2 THR 6 8.885 4.887 -2.903 40 HG22 THR 6 2HG2 THR 6 7.957 5.739 -4.161 41 HG23 THR 6 3HG2 THR 6 7.838 6.255 -2.462 42 H LEU 7 H LEU 7 5.092 3.938 -5.436 43 HA LEU 7 HA LEU 7 6.330 6.003 -7.082 44 HB2 LEU 7 1HB LEU 7 4.936 3.399 -7.794 45 HB3 LEU 7 2HB LEU 7 5.760 4.444 -8.956 46 HG LEU 7 HG LEU 7 7.101 3.049 -6.612 47 HD11 LEU 7 1HD1 LEU 7 8.061 1.589 -8.337 48 HD12 LEU 7 2HD1 LEU 7 6.287 1.466 -8.285 49 HD13 LEU 7 3HD1 LEU 7 7.077 2.405 -9.575 50 HD21 LEU 7 1HD2 LEU 7 9.173 3.763 -7.754 51 HD22 LEU 7 2HD2 LEU 7 8.206 4.609 -8.985 52 HD23 LEU 7 3HD2 LEU 7 8.181 5.166 -7.294 53 H LEU 8 H LEU 8 3.083 5.002 -6.228 54 HA LEU 8 HA LEU 8 1.704 6.549 -8.213 55 HB2 LEU 8 1HB LEU 8 0.947 5.608 -5.433 56 HB3 LEU 8 2HB LEU 8 -0.162 6.514 -6.466 57 HG LEU 8 HG LEU 8 1.071 3.842 -7.220 58 HD11 LEU 8 1HD1 LEU 8 -1.134 2.907 -6.680 59 HD12 LEU 8 2HD1 LEU 8 -0.354 3.622 -5.249 60 HD13 LEU 8 3HD1 LEU 8 -1.661 4.498 -6.082 61 HD21 LEU 8 1HD2 LEU 8 -0.692 3.878 -8.952 62 HD22 LEU 8 2HD2 LEU 8 -1.213 5.484 -8.387 63 HD23 LEU 8 3HD2 LEU 8 0.396 5.278 -9.116 64 H GLN 9 H GLN 9 2.955 7.298 -4.972 65 HA GLN 9 HA GLN 9 2.023 10.010 -4.919 66 HB2 GLN 9 1HB GLN 9 4.346 8.625 -3.531 67 HB3 GLN 9 2HB GLN 9 3.914 10.302 -3.234 68 HG2 GLN 9 1HG GLN 9 1.735 9.650 -2.405 69 HG3 GLN 9 2HG GLN 9 2.068 7.943 -2.811 70 HE21 GLN 9 1HE2 GLN 9 2.661 8.402 0.815 71 HE22 GLN 9 2HE2 GLN 9 1.315 8.561 -0.264 72 H ASP 10 H ASP 10 5.010 8.495 -6.109 73 HA ASP 10 HA ASP 10 6.358 10.877 -6.863 74 HB2 ASP 10 1HB ASP 10 6.412 8.065 -8.014 75 HB3 ASP 10 2HB ASP 10 7.456 9.350 -8.606 76 H LEU 11 H LEU 11 4.067 8.828 -8.680 77 HA LEU 11 HA LEU 11 4.084 10.374 -11.070 78 HB2 LEU 11 1HB LEU 11 1.977 8.601 -9.800 79 HB3 LEU 11 2HB LEU 11 1.761 9.360 -11.380 80 HG LEU 11 HG LEU 11 4.031 7.454 -10.717 81 HD11 LEU 11 1HD1 LEU 11 2.726 5.783 -11.955 82 HD12 LEU 11 2HD1 LEU 11 1.874 6.332 -10.493 83 HD13 LEU 11 3HD1 LEU 11 1.378 6.937 -12.092 84 HD21 LEU 11 1HD2 LEU 11 4.241 7.367 -13.178 85 HD22 LEU 11 2HD2 LEU 11 2.914 8.544 -13.334 86 HD23 LEU 11 3HD2 LEU 11 4.450 9.028 -12.577 87 H THR 12 H THR 12 2.122 10.610 -8.111 88 HA THR 12 HA THR 12 0.376 12.666 -8.969 89 HB THR 12 HB THR 12 1.497 12.152 -6.181 90 HG1 THR 12 HG1 THR 12 0.348 10.378 -7.017 91 HG21 THR 12 1HG2 THR 12 -0.506 13.357 -5.403 92 HG22 THR 12 2HG2 THR 12 0.520 14.411 -6.405 93 HG23 THR 12 3HG2 THR 12 -0.960 13.699 -7.089 94 H ASN 13 H ASN 13 3.634 12.836 -7.557 95 HA ASN 13 HA ASN 13 3.671 15.736 -7.527 96 HB2 ASN 13 1HB ASN 13 5.825 13.622 -7.264 97 HB3 ASN 13 2HB ASN 13 6.182 15.344 -7.242 98 HD21 ASN 13 1HD2 ASN 13 5.718 14.026 -3.773 99 HD22 ASN 13 2HD2 ASN 13 6.687 13.547 -5.126 100 H ASN 14 H ASN 14 4.566 13.245 -9.835 101 HA ASN 14 HA ASN 14 6.091 14.967 -11.564 102 HB2 ASN 14 1HB ASN 14 4.667 12.331 -12.012 103 HB3 ASN 14 2HB ASN 14 5.563 13.151 -13.282 104 HD21 ASN 14 1HD2 ASN 14 7.702 10.653 -11.482 105 HD22 ASN 14 2HD2 ASN 14 6.129 10.581 -12.204 106 H ILE 15 H ILE 15 2.661 14.186 -11.313 107 HA ILE 15 HA ILE 15 2.018 15.497 -13.839 108 HB ILE 15 HB ILE 15 0.246 14.473 -11.580 109 HG12 ILE 15 1HG1 ILE 15 0.718 13.289 -14.320 110 HG13 ILE 15 2HG1 ILE 15 1.627 12.810 -12.894 111 HG21 ILE 15 1HG2 ILE 15 -1.599 14.709 -13.192 112 HG22 ILE 15 2HG2 ILE 15 -0.858 16.285 -12.836 113 HG23 ILE 15 3HG2 ILE 15 -0.488 15.453 -14.364 114 HD11 ILE 15 1HD1 ILE 15 -0.200 11.267 -13.327 115 HD12 ILE 15 2HD1 ILE 15 -0.452 12.119 -11.784 116 HD13 ILE 15 3HD1 ILE 15 -1.373 12.601 -13.229 117 H THR 16 H THR 16 1.861 17.590 -14.150 118 HA THR 16 HA THR 16 1.510 19.384 -11.828 119 HB THR 16 HB THR 16 2.013 21.203 -13.390 120 HG1 THR 16 HG1 THR 16 2.319 19.297 -15.468 121 HG21 THR 16 1HG2 THR 16 4.275 20.522 -14.088 122 HG22 THR 16 2HG2 THR 16 3.914 19.939 -12.447 123 HG23 THR 16 3HG2 THR 16 3.848 18.816 -13.825 124 H LEU 17 H LEU 17 0.111 21.402 -12.351 125 HA LEU 17 HA LEU 17 -2.593 20.495 -12.404 126 HB2 LEU 17 1HB LEU 17 -1.384 23.264 -12.699 127 HB3 LEU 17 2HB LEU 17 -3.120 22.967 -12.576 128 HG LEU 17 HG LEU 17 -1.086 22.227 -10.443 129 HD11 LEU 17 1HD1 LEU 17 -2.005 24.146 -9.220 130 HD12 LEU 17 2HD1 LEU 17 -1.237 24.645 -10.746 131 HD13 LEU 17 3HD1 LEU 17 -3.012 24.561 -10.629 132 HD21 LEU 17 1HD2 LEU 17 -3.109 21.898 -9.061 133 HD22 LEU 17 2HD2 LEU 17 -4.132 22.281 -10.466 134 HD23 LEU 17 3HD2 LEU 17 -3.118 20.818 -10.476 135 H GLU 18 H GLU 18 -0.536 22.016 -14.870 136 HA GLU 18 HA GLU 18 -2.595 22.226 -16.862 137 HB2 GLU 18 1HB GLU 18 0.436 22.080 -17.072 138 HB3 GLU 18 2HB GLU 18 -0.615 22.344 -18.456 139 HG2 GLU 18 1HG GLU 18 -1.467 24.406 -17.429 140 HG3 GLU 18 2HG GLU 18 -0.435 24.137 -16.026 141 H ASP 19 H ASP 19 -0.315 19.673 -15.965 142 HA ASP 19 HA ASP 19 -0.921 17.921 -18.150 143 HB2 ASP 19 1HB ASP 19 0.083 17.368 -15.332 144 HB3 ASP 19 2HB ASP 19 -0.062 16.128 -16.570 145 H LEU 20 H LEU 20 -2.398 18.435 -14.971 146 HA LEU 20 HA LEU 20 -4.183 16.216 -15.040 147 HB2 LEU 20 1HB LEU 20 -4.330 18.929 -13.695 148 HB3 LEU 20 2HB LEU 20 -5.578 17.696 -13.484 149 HG LEU 20 HG LEU 20 -2.650 17.347 -12.747 150 HD11 LEU 20 1HD1 LEU 20 -3.447 17.553 -10.434 151 HD12 LEU 20 2HD1 LEU 20 -3.744 19.039 -11.368 152 HD13 LEU 20 3HD1 LEU 20 -5.084 17.916 -11.032 153 HD21 LEU 20 1HD2 LEU 20 -3.489 15.328 -11.595 154 HD22 LEU 20 2HD2 LEU 20 -5.128 15.658 -12.208 155 HD23 LEU 20 3HD2 LEU 20 -3.818 15.251 -13.343 156 H GLU 21 H GLU 21 -4.397 19.488 -16.379 157 HA GLU 21 HA GLU 21 -7.124 19.384 -17.190 158 HB2 GLU 21 1HB GLU 21 -4.735 20.849 -18.378 159 HB3 GLU 21 2HB GLU 21 -6.391 21.096 -18.913 160 HG2 GLU 21 1HG GLU 21 -5.339 21.604 -16.121 161 HG3 GLU 21 2HG GLU 21 -5.654 22.825 -17.351 162 H GLN 22 H GLN 22 -4.138 18.304 -18.794 163 HA GLN 22 HA GLN 22 -5.462 17.375 -21.179 164 HB2 GLN 22 1HB GLN 22 -3.017 17.825 -21.051 165 HB3 GLN 22 2HB GLN 22 -2.830 16.477 -19.939 166 HG2 GLN 22 1HG GLN 22 -2.163 15.823 -22.160 167 HG3 GLN 22 2HG GLN 22 -3.638 14.933 -21.687 168 HE21 GLN 22 1HE2 GLN 22 -4.509 15.779 -25.040 169 HE22 GLN 22 2HE2 GLN 22 -3.706 14.585 -24.076 170 H LEU 23 H LEU 23 -4.649 15.886 -18.067 171 HA LEU 23 HA LEU 23 -5.325 13.209 -18.912 172 HB2 LEU 23 1HB LEU 23 -5.004 14.481 -16.175 173 HB3 LEU 23 2HB LEU 23 -5.326 12.762 -16.417 174 HG LEU 23 HG LEU 23 -2.878 14.227 -17.464 175 HD11 LEU 23 1HD1 LEU 23 -1.690 13.051 -15.666 176 HD12 LEU 23 2HD1 LEU 23 -2.923 14.161 -15.023 177 HD13 LEU 23 3HD1 LEU 23 -3.235 12.409 -15.064 178 HD21 LEU 23 1HD2 LEU 23 -2.058 11.933 -17.883 179 HD22 LEU 23 2HD2 LEU 23 -3.610 11.274 -17.312 180 HD23 LEU 23 3HD2 LEU 23 -3.552 12.256 -18.795 181 H LYS 24 H LYS 24 -7.072 15.830 -17.291 182 HA LYS 24 HA LYS 24 -9.438 14.309 -16.718 183 HB2 LYS 24 1HB LYS 24 -8.914 17.279 -17.062 184 HB3 LYS 24 2HB LYS 24 -10.516 16.649 -16.703 185 HG2 LYS 24 1HG LYS 24 -9.559 15.570 -14.642 186 HG3 LYS 24 2HG LYS 24 -8.035 16.403 -14.983 187 HD2 LYS 24 1HD LYS 24 -10.701 17.827 -14.670 188 HD3 LYS 24 2HD LYS 24 -9.549 17.590 -13.348 189 HE2 LYS 24 1HE LYS 24 -7.820 18.805 -14.661 190 HE3 LYS 24 2HE LYS 24 -9.004 19.079 -15.943 191 HZ1 LYS 24 1HZ LYS 24 -8.826 20.961 -14.489 192 HZ2 LYS 24 2HZ LYS 24 -10.336 20.308 -14.370 193 HZ3 LYS 24 3HZ LYS 24 -9.230 20.053 -13.173 194 H SER 25 H SER 25 -8.383 16.194 -19.531 195 HA SER 25 HA SER 25 -10.798 15.830 -21.043 196 HB2 SER 25 1HB SER 25 -7.923 16.257 -21.923 197 HB3 SER 25 2HB SER 25 -9.307 16.297 -23.005 198 HG SER 25 HG SER 25 -8.582 18.025 -20.952 199 H ALA 26 H ALA 26 -7.789 13.948 -20.765 200 HA ALA 26 HA ALA 26 -8.535 11.958 -22.687 201 HB1 ALA 26 1HB ALA 26 -6.763 10.593 -21.629 202 HB2 ALA 26 2HB ALA 26 -6.215 12.258 -21.943 203 HB3 ALA 26 3HB ALA 26 -6.668 11.765 -20.294 204 H CYS 27 H CYS 27 -9.139 12.332 -19.229 205 HA CYS 27 HA CYS 27 -10.653 9.764 -19.271 206 HB2 CYS 27 1HB CYS 27 -9.612 11.428 -16.946 207 HB3 CYS 27 2HB CYS 27 -10.609 9.991 -16.766 208 HG CYS 27 HG CYS 27 -9.005 8.319 -17.784 209 H LYS 28 H LYS 28 -11.765 12.015 -20.560 210 HA LYS 28 HA LYS 28 -13.629 13.360 -18.804 211 HB2 LYS 28 1HB LYS 28 -14.616 14.242 -20.823 212 HB3 LYS 28 2HB LYS 28 -12.868 14.265 -21.015 213 HG2 LYS 28 1HG LYS 28 -13.003 12.189 -22.367 214 HG3 LYS 28 2HG LYS 28 -14.764 12.224 -22.208 215 HD2 LYS 28 1HD LYS 28 -14.808 14.454 -23.299 216 HD3 LYS 28 2HD LYS 28 -13.049 14.388 -23.483 217 HE2 LYS 28 1HE LYS 28 -13.281 12.336 -24.860 218 HE3 LYS 28 2HE LYS 28 -15.037 12.433 -24.698 219 HZ1 LYS 28 1HZ LYS 28 -14.287 13.385 -26.752 220 HZ2 LYS 28 2HZ LYS 28 -14.964 14.558 -25.810 221 HZ3 LYS 28 3HZ LYS 28 -13.324 14.466 -25.962 222 H GLU 29 H GLU 29 -13.551 10.266 -20.325 223 HA GLU 29 HA GLU 29 -16.465 9.889 -19.939 224 HB2 GLU 29 1HB GLU 29 -14.316 8.072 -21.101 225 HB3 GLU 29 2HB GLU 29 -16.008 7.624 -20.941 226 HG2 GLU 29 1HG GLU 29 -16.650 9.455 -22.442 227 HG3 GLU 29 2HG GLU 29 -14.962 9.939 -22.586 228 H ASP 30 H ASP 30 -13.361 8.969 -18.568 229 HA ASP 30 HA ASP 30 -14.458 6.913 -16.838 230 HB2 ASP 30 1HB ASP 30 -11.815 8.415 -16.838 231 HB3 ASP 30 2HB ASP 30 -12.208 7.163 -15.668 232 H ILE 31 H ILE 31 -13.601 10.343 -16.472 233 HA ILE 31 HA ILE 31 -15.004 10.286 -13.832 234 HB ILE 31 HB ILE 31 -12.791 12.157 -14.779 235 HG12 ILE 31 1HG1 ILE 31 -12.759 10.098 -12.564 236 HG13 ILE 31 2HG1 ILE 31 -12.104 9.829 -14.172 237 HG21 ILE 31 1HG2 ILE 31 -12.905 13.085 -12.503 238 HG22 ILE 31 2HG2 ILE 31 -14.445 13.314 -13.363 239 HG23 ILE 31 3HG2 ILE 31 -14.293 12.033 -12.139 240 HD11 ILE 31 1HD1 ILE 31 -10.351 10.437 -12.599 241 HD12 ILE 31 2HD1 ILE 31 -10.528 11.687 -13.853 242 HD13 ILE 31 3HD1 ILE 31 -11.191 11.959 -12.224 243 HA PRO 32 HA PRO 32 -18.116 12.576 -15.938 244 HB2 PRO 32 1HB PRO 32 -18.754 13.268 -13.044 245 HB3 PRO 32 2HB PRO 32 -19.854 12.759 -14.331 246 HG2 PRO 32 1HG PRO 32 -19.125 10.958 -12.513 247 HG3 PRO 32 2HG PRO 32 -19.166 10.482 -14.213 248 HD2 PRO 32 1HD PRO 32 -16.777 11.249 -12.493 249 HD3 PRO 32 2HD PRO 32 -16.926 9.921 -13.713 250 H SER 33 H SER 33 -18.449 14.742 -16.455 251 HA SER 33 HA SER 33 -16.222 16.463 -16.106 252 HB2 SER 33 1HB SER 33 -17.541 18.129 -17.257 253 HB3 SER 33 2HB SER 33 -17.831 16.563 -17.998 254 HG SER 33 HG SER 33 -19.493 18.206 -16.604 255 H GLU 34 H GLU 34 -19.236 16.155 -14.314 256 HA GLU 34 HA GLU 34 -19.004 18.568 -12.794 257 HB2 GLU 34 1HB GLU 34 -20.333 15.903 -12.174 258 HB3 GLU 34 2HB GLU 34 -20.465 17.313 -11.133 259 HG2 GLU 34 1HG GLU 34 -21.536 18.574 -12.932 260 HG3 GLU 34 2HG GLU 34 -21.356 17.201 -14.023 261 H LYS 35 H LYS 35 -17.536 15.388 -12.484 262 HA LYS 35 HA LYS 35 -16.437 16.043 -9.830 263 HB2 LYS 35 1HB LYS 35 -16.097 13.616 -11.636 264 HB3 LYS 35 2HB LYS 35 -15.357 13.779 -10.050 265 HG2 LYS 35 1HG LYS 35 -18.325 13.682 -10.658 266 HG3 LYS 35 2HG LYS 35 -17.348 12.419 -9.895 267 HD2 LYS 35 1HD LYS 35 -16.924 13.844 -7.964 268 HD3 LYS 35 2HD LYS 35 -17.745 15.204 -8.742 269 HE2 LYS 35 1HE LYS 35 -19.861 13.920 -8.747 270 HE3 LYS 35 2HE LYS 35 -19.042 12.564 -7.969 271 HZ1 LYS 35 1HZ LYS 35 -20.209 13.915 -6.387 272 HZ2 LYS 35 2HZ LYS 35 -18.587 13.990 -6.093 273 HZ3 LYS 35 3HZ LYS 35 -19.353 15.257 -6.820 274 H SER 36 H SER 36 -15.475 16.078 -13.184 275 HA SER 36 HA SER 36 -12.648 16.331 -12.748 276 HB2 SER 36 1HB SER 36 -12.532 17.039 -15.013 277 HB3 SER 36 2HB SER 36 -13.819 15.844 -14.940 278 HG SER 36 HG SER 36 -15.086 17.932 -14.460 279 H GLU 37 H GLU 37 -15.335 18.536 -12.434 280 HA GLU 37 HA GLU 37 -13.651 20.906 -12.213 281 HB2 GLU 37 1HB GLU 37 -16.543 20.361 -11.438 282 HB3 GLU 37 2HB GLU 37 -15.765 21.928 -11.259 283 HG2 GLU 37 1HG GLU 37 -15.387 22.038 -13.677 284 HG3 GLU 37 2HG GLU 37 -16.118 20.447 -13.875 285 H GLU 38 H GLU 38 -14.703 18.345 -10.117 286 HA GLU 38 HA GLU 38 -14.151 19.818 -7.653 287 HB2 GLU 38 1HB GLU 38 -14.676 16.873 -8.212 288 HB3 GLU 38 2HB GLU 38 -14.424 17.530 -6.602 289 HG2 GLU 38 1HG GLU 38 -16.395 19.008 -6.931 290 HG3 GLU 38 2HG GLU 38 -16.664 18.257 -8.501 291 H ILE 39 H ILE 39 -12.363 17.901 -9.924 292 HA ILE 39 HA ILE 39 -10.178 17.163 -8.231 293 HB ILE 39 HB ILE 39 -10.311 17.670 -11.232 294 HG12 ILE 39 1HG1 ILE 39 -10.234 15.078 -9.673 295 HG13 ILE 39 2HG1 ILE 39 -11.698 15.817 -10.300 296 HG21 ILE 39 1HG2 ILE 39 -8.165 16.469 -11.349 297 HG22 ILE 39 2HG2 ILE 39 -8.007 17.970 -10.408 298 HG23 ILE 39 3HG2 ILE 39 -8.101 16.403 -9.572 299 HD11 ILE 39 1HD1 ILE 39 -10.903 14.056 -11.776 300 HD12 ILE 39 2HD1 ILE 39 -10.824 15.639 -12.590 301 HD13 ILE 39 3HD1 ILE 39 -9.340 14.888 -11.954 302 H THR 40 H THR 40 -8.945 18.478 -7.099 303 HA THR 40 HA THR 40 -8.000 20.972 -8.452 304 HB THR 40 HB THR 40 -7.644 21.940 -6.201 305 HG1 THR 40 HG1 THR 40 -9.060 19.711 -5.146 306 HG21 THR 40 1HG2 THR 40 -10.012 22.229 -5.581 307 HG22 THR 40 2HG2 THR 40 -9.801 22.318 -7.345 308 HG23 THR 40 3HG2 THR 40 -10.453 20.841 -6.601 309 H THR 41 H THR 41 -7.170 17.957 -7.022 310 HA THR 41 HA THR 41 -4.288 18.659 -7.367 311 HB THR 41 HB THR 41 -3.694 17.249 -5.467 312 HG1 THR 41 HG1 THR 41 -5.083 15.870 -4.661 313 HG21 THR 41 1HG2 THR 41 -4.702 18.549 -3.632 314 HG22 THR 41 2HG2 THR 41 -4.253 19.608 -4.989 315 HG23 THR 41 3HG2 THR 41 -5.954 19.153 -4.742 316 H GLY 42 H GLY 42 -2.895 16.691 -7.615 317 HA2 GLY 42 1HA GLY 42 -3.896 14.976 -9.703 318 HA3 GLY 42 2HA GLY 42 -2.358 14.813 -8.875 319 H SER 43 H SER 43 -3.613 14.709 -6.196 320 HA SER 43 HA SER 43 -4.109 11.873 -6.053 321 HB2 SER 43 1HB SER 43 -4.475 12.255 -3.693 322 HB3 SER 43 2HB SER 43 -3.092 13.202 -4.221 323 HG SER 43 HG SER 43 -5.519 13.977 -3.285 324 H ALA 44 H ALA 44 -6.168 14.744 -6.142 325 HA ALA 44 HA ALA 44 -8.633 13.372 -5.638 326 HB1 ALA 44 1HB ALA 44 -9.688 15.357 -6.672 327 HB2 ALA 44 2HB ALA 44 -8.439 15.814 -5.490 328 HB3 ALA 44 3HB ALA 44 -8.091 15.903 -7.232 329 H TRP 45 H TRP 45 -6.956 14.251 -8.666 330 HA TRP 45 HA TRP 45 -8.825 13.140 -10.464 331 HB2 TRP 45 1HB TRP 45 -6.969 14.517 -11.237 332 HB3 TRP 45 2HB TRP 45 -5.795 13.345 -10.653 333 HD1 TRP 45 HD1 TRP 45 -8.577 13.630 -13.354 334 HE1 TRP 45 HE1 TRP 45 -7.954 12.088 -15.334 335 HE3 TRP 45 HE3 TRP 45 -4.392 11.438 -11.360 336 HZ2 TRP 45 HZ2 TRP 45 -5.944 10.203 -15.945 337 HZ3 TRP 45 HZ3 TRP 45 -3.164 9.770 -12.694 338 HH2 TRP 45 HH2 TRP 45 -3.922 9.161 -14.954 339 H PHE 46 H PHE 46 -6.005 11.611 -8.887 340 HA PHE 46 HA PHE 46 -6.394 9.033 -10.055 341 HB2 PHE 46 1HB PHE 46 -4.291 9.751 -8.942 342 HB3 PHE 46 2HB PHE 46 -5.116 9.770 -7.391 343 HD1 PHE 46 HD1 PHE 46 -4.295 7.498 -10.235 344 HD2 PHE 46 HD2 PHE 46 -5.148 7.867 -6.065 345 HE1 PHE 46 HE1 PHE 46 -3.741 5.111 -9.912 346 HE2 PHE 46 HE2 PHE 46 -4.592 5.480 -5.737 347 HZ PHE 46 HZ PHE 46 -3.890 4.102 -7.664 348 H SER 47 H SER 47 -7.553 10.482 -7.014 349 HA SER 47 HA SER 47 -8.647 8.122 -5.892 350 HB2 SER 47 1HB SER 47 -9.474 11.026 -5.597 351 HB3 SER 47 2HB SER 47 -10.112 9.723 -4.608 352 HG SER 47 HG SER 47 -7.478 10.655 -4.823 353 H PHE 48 H PHE 48 -10.021 10.482 -8.155 354 HA PHE 48 HA PHE 48 -12.702 9.465 -8.041 355 HB2 PHE 48 1HB PHE 48 -11.168 11.205 -9.976 356 HB3 PHE 48 2HB PHE 48 -12.770 10.625 -10.404 357 HD1 PHE 48 HD1 PHE 48 -11.162 13.367 -9.230 358 HD2 PHE 48 HD2 PHE 48 -14.431 10.832 -8.164 359 HE1 PHE 48 HE1 PHE 48 -12.174 15.217 -7.941 360 HE2 PHE 48 HE2 PHE 48 -15.448 12.681 -6.876 361 HZ PHE 48 HZ PHE 48 -14.317 14.874 -6.764 362 H LEU 49 H LEU 49 -9.883 8.688 -10.038 363 HA LEU 49 HA LEU 49 -11.163 6.987 -11.908 364 HB2 LEU 49 1HB LEU 49 -8.374 6.907 -10.714 365 HB3 LEU 49 2HB LEU 49 -8.895 5.868 -12.044 366 HG LEU 49 HG LEU 49 -8.867 8.905 -12.153 367 HD11 LEU 49 1HD1 LEU 49 -6.859 8.623 -13.536 368 HD12 LEU 49 2HD1 LEU 49 -6.612 8.010 -11.884 369 HD13 LEU 49 3HD1 LEU 49 -6.890 6.872 -13.225 370 HD21 LEU 49 1HD2 LEU 49 -9.140 8.505 -14.578 371 HD22 LEU 49 2HD2 LEU 49 -9.202 6.750 -14.282 372 HD23 LEU 49 3HD2 LEU 49 -10.493 7.805 -13.658 373 H GLU 50 H GLU 50 -9.835 6.306 -8.672 374 HA GLU 50 HA GLU 50 -10.629 3.524 -8.704 375 HB2 GLU 50 1HB GLU 50 -9.931 5.433 -6.442 376 HB3 GLU 50 2HB GLU 50 -10.301 3.734 -6.191 377 HG2 GLU 50 1HG GLU 50 -8.401 3.099 -7.610 378 HG3 GLU 50 2HG GLU 50 -8.035 4.800 -7.887 379 H SER 51 H SER 51 -12.120 6.546 -7.597 380 HA SER 51 HA SER 51 -14.191 5.333 -6.055 381 HB2 SER 51 1HB SER 51 -14.083 8.020 -7.462 382 HB3 SER 51 2HB SER 51 -15.323 7.552 -6.310 383 HG SER 51 HG SER 51 -12.550 7.736 -5.878 384 H HIS 52 H HIS 52 -13.919 6.121 -9.484 385 HA HIS 52 HA HIS 52 -16.776 5.406 -9.913 386 HB2 HIS 52 1HB HIS 52 -14.703 6.565 -11.812 387 HB3 HIS 52 2HB HIS 52 -16.381 6.234 -12.220 388 HD1 HIS 52 HD1 HIS 52 -18.103 7.504 -10.296 389 HD2 HIS 52 HD2 HIS 52 -14.367 9.282 -11.098 390 HE1 HIS 52 HE1 HIS 52 -18.329 9.857 -9.679 391 H ASN 53 H ASN 53 -14.263 3.602 -9.389 392 HA ASN 53 HA ASN 53 -13.690 1.453 -9.984 393 HB2 ASN 53 1HB ASN 53 -16.433 1.520 -11.284 394 HB3 ASN 53 2HB ASN 53 -15.471 0.067 -11.043 395 HD21 ASN 53 1HD2 ASN 53 -17.974 0.953 -8.241 396 HD22 ASN 53 2HD2 ASN 53 -18.102 1.223 -9.947 397 H LYS 54 H LYS 54 -12.637 3.467 -11.581 398 HA LYS 54 HA LYS 54 -12.667 2.194 -14.283 399 HB2 LYS 54 1HB LYS 54 -11.752 4.988 -13.490 400 HB3 LYS 54 2HB LYS 54 -11.765 4.333 -15.121 401 HG2 LYS 54 1HG LYS 54 -14.212 4.804 -13.393 402 HG3 LYS 54 2HG LYS 54 -13.659 5.832 -14.722 403 HD2 LYS 54 1HD LYS 54 -13.931 3.926 -16.293 404 HD3 LYS 54 2HD LYS 54 -14.521 2.925 -14.958 405 HE2 LYS 54 1HE LYS 54 -16.385 4.540 -14.605 406 HE3 LYS 54 2HE LYS 54 -15.816 5.477 -15.988 407 HZ1 LYS 54 1HZ LYS 54 -17.579 3.990 -16.597 408 HZ2 LYS 54 2HZ LYS 54 -16.189 3.552 -17.372 409 HZ3 LYS 54 3HZ LYS 54 -16.724 2.678 -16.080 410 H LEU 55 H LEU 55 -10.760 2.883 -11.483 411 HA LEU 55 HA LEU 55 -8.441 1.587 -12.827 412 HB2 LEU 55 1HB LEU 55 -7.980 3.987 -12.802 413 HB3 LEU 55 2HB LEU 55 -8.349 4.069 -11.076 414 HG LEU 55 HG LEU 55 -6.153 2.220 -11.918 415 HD11 LEU 55 1HD1 LEU 55 -4.551 4.079 -11.994 416 HD12 LEU 55 2HD1 LEU 55 -5.749 4.190 -13.305 417 HD13 LEU 55 3HD1 LEU 55 -5.894 5.240 -11.875 418 HD21 LEU 55 1HD2 LEU 55 -5.204 3.059 -9.795 419 HD22 LEU 55 2HD2 LEU 55 -6.556 4.207 -9.644 420 HD23 LEU 55 3HD2 LEU 55 -6.863 2.457 -9.561 421 H ASP 56 H ASP 56 -7.441 0.059 -11.674 422 HA ASP 56 HA ASP 56 -8.650 -0.682 -9.107 423 HB2 ASP 56 1HB ASP 56 -6.518 -1.971 -10.849 424 HB3 ASP 56 2HB ASP 56 -7.008 -2.628 -9.293 425 H LYS 57 H LYS 57 -7.775 -0.562 -7.126 426 HA LYS 57 HA LYS 57 -5.796 1.405 -6.620 427 HB2 LYS 57 1HB LYS 57 -7.501 0.703 -4.965 428 HB3 LYS 57 2HB LYS 57 -6.733 -0.873 -4.828 429 HG2 LYS 57 1HG LYS 57 -4.719 0.150 -3.892 430 HG3 LYS 57 2HG LYS 57 -5.418 1.762 -4.103 431 HD2 LYS 57 1HD LYS 57 -7.268 1.156 -2.568 432 HD3 LYS 57 2HD LYS 57 -6.556 -0.449 -2.350 433 HE2 LYS 57 1HE LYS 57 -5.038 2.106 -1.741 434 HE3 LYS 57 2HE LYS 57 -6.040 1.284 -0.542 435 HZ1 LYS 57 1HZ LYS 57 -3.756 0.614 -0.390 436 HZ2 LYS 57 2HZ LYS 57 -4.684 -0.674 -0.836 437 HZ3 LYS 57 3HZ LYS 57 -3.748 0.093 -1.955 438 H ASP 58 H ASP 58 -3.660 1.411 -6.413 439 HA ASP 58 HA ASP 58 -1.482 0.677 -6.504 440 HB2 ASP 58 1HB ASP 58 -2.693 -1.847 -5.306 441 HB3 ASP 58 2HB ASP 58 -0.969 -1.527 -5.424 442 H ASN 59 H ASN 59 -2.625 0.648 -8.908 443 HA ASN 59 HA ASN 59 -1.227 -1.612 -10.183 444 HB2 ASN 59 1HB ASN 59 -3.602 -2.361 -9.841 445 HB3 ASN 59 2HB ASN 59 -4.129 -1.012 -10.838 446 HD21 ASN 59 1HD2 ASN 59 -3.703 -4.208 -12.804 447 HD22 ASN 59 2HD2 ASN 59 -4.458 -3.860 -11.285 448 H LEU 60 H LEU 60 0.089 -0.754 -11.599 449 HA LEU 60 HA LEU 60 -0.340 2.062 -12.305 450 HB2 LEU 60 1HB LEU 60 1.980 0.168 -12.816 451 HB3 LEU 60 2HB LEU 60 1.972 1.883 -13.238 452 HG LEU 60 HG LEU 60 1.765 0.773 -10.417 453 HD11 LEU 60 1HD1 LEU 60 4.058 1.617 -10.179 454 HD12 LEU 60 2HD1 LEU 60 3.947 0.354 -11.428 455 HD13 LEU 60 3HD1 LEU 60 4.071 2.066 -11.901 456 HD21 LEU 60 1HD2 LEU 60 2.100 3.135 -9.771 457 HD22 LEU 60 2HD2 LEU 60 2.086 3.607 -11.487 458 HD23 LEU 60 3HD2 LEU 60 0.617 2.940 -10.736 459 H SER 61 H SER 61 -1.042 -0.932 -13.688 460 HA SER 61 HA SER 61 -0.327 -0.402 -16.425 461 HB2 SER 61 1HB SER 61 -1.572 -2.379 -16.946 462 HB3 SER 61 2HB SER 61 -0.735 -2.669 -15.429 463 HG SER 61 HG SER 61 -2.576 -2.359 -14.331 464 H TYR 62 H TYR 62 -3.119 0.345 -14.440 465 HA TYR 62 HA TYR 62 -4.813 1.159 -16.644 466 HB2 TYR 62 1HB TYR 62 -4.856 1.721 -13.660 467 HB3 TYR 62 2HB TYR 62 -6.038 2.412 -14.763 468 HD1 TYR 62 HD1 TYR 62 -4.828 -0.665 -13.171 469 HD2 TYR 62 HD2 TYR 62 -7.729 1.039 -15.832 470 HE1 TYR 62 HE1 TYR 62 -6.189 -2.721 -13.003 471 HE2 TYR 62 HE2 TYR 62 -9.091 -1.016 -15.665 472 HH TYR 62 HH TYR 62 -8.441 -3.469 -13.337 473 H ILE 63 H ILE 63 -2.510 2.810 -14.514 474 HA ILE 63 HA ILE 63 -3.064 5.449 -15.503 475 HB ILE 63 HB ILE 63 -0.622 4.265 -14.125 476 HG12 ILE 63 1HG1 ILE 63 -2.747 6.140 -13.070 477 HG13 ILE 63 2HG1 ILE 63 -2.798 4.395 -12.874 478 HG21 ILE 63 1HG2 ILE 63 0.106 6.591 -13.777 479 HG22 ILE 63 2HG2 ILE 63 0.049 6.192 -15.509 480 HG23 ILE 63 3HG2 ILE 63 -1.247 7.168 -14.778 481 HD11 ILE 63 1HD1 ILE 63 -1.909 5.475 -10.886 482 HD12 ILE 63 2HD1 ILE 63 -0.666 4.457 -11.653 483 HD13 ILE 63 3HD1 ILE 63 -0.616 6.225 -11.850 484 H GLU 64 H GLU 64 -0.616 3.000 -16.364 485 HA GLU 64 HA GLU 64 0.702 4.434 -18.400 486 HB2 GLU 64 1HB GLU 64 1.430 2.216 -17.548 487 HB3 GLU 64 2HB GLU 64 0.040 1.461 -18.314 488 HG2 GLU 64 1HG GLU 64 0.880 2.147 -20.524 489 HG3 GLU 64 2HG GLU 64 2.273 2.906 -19.757 490 H HIS 65 H HIS 65 -2.203 2.361 -18.632 491 HA HIS 65 HA HIS 65 -2.701 2.728 -21.402 492 HB2 HIS 65 1HB HIS 65 -3.884 1.089 -19.939 493 HB3 HIS 65 2HB HIS 65 -4.742 2.417 -19.171 494 HD1 HIS 65 HD1 HIS 65 -4.290 0.943 -22.670 495 HD2 HIS 65 HD2 HIS 65 -7.218 2.994 -20.438 496 HE1 HIS 65 HE1 HIS 65 -6.248 1.112 -24.121 497 H ILE 66 H ILE 66 -3.780 4.659 -18.603 498 HA ILE 66 HA ILE 66 -5.352 6.507 -20.078 499 HB ILE 66 HB ILE 66 -3.865 6.758 -17.439 500 HG12 ILE 66 1HG1 ILE 66 -6.831 6.601 -17.992 501 HG13 ILE 66 2HG1 ILE 66 -5.834 5.186 -17.695 502 HG21 ILE 66 1HG2 ILE 66 -5.148 8.826 -17.066 503 HG22 ILE 66 2HG2 ILE 66 -4.054 8.994 -18.460 504 HG23 ILE 66 3HG2 ILE 66 -5.794 8.728 -18.722 505 HD11 ILE 66 1HD1 ILE 66 -6.971 5.900 -15.667 506 HD12 ILE 66 2HD1 ILE 66 -5.209 6.076 -15.491 507 HD13 ILE 66 3HD1 ILE 66 -6.221 7.508 -15.792 508 H PHE 67 H PHE 67 -1.904 6.558 -19.184 509 HA PHE 67 HA PHE 67 -1.409 9.183 -20.230 510 HB2 PHE 67 1HB PHE 67 0.411 6.828 -19.619 511 HB3 PHE 67 2HB PHE 67 1.023 8.359 -20.223 512 HD1 PHE 67 HD1 PHE 67 -1.567 9.558 -18.472 513 HD2 PHE 67 HD2 PHE 67 2.066 7.431 -17.744 514 HE1 PHE 67 HE1 PHE 67 -1.511 10.447 -16.166 515 HE2 PHE 67 HE2 PHE 67 2.123 8.316 -15.436 516 HZ PHE 67 HZ PHE 67 0.335 9.826 -14.648 517 H GLU 68 H GLU 68 -1.394 5.956 -21.651 518 HA GLU 68 HA GLU 68 -0.273 6.742 -24.183 519 HB2 GLU 68 1HB GLU 68 -0.439 4.378 -23.425 520 HB3 GLU 68 2HB GLU 68 -2.192 4.469 -23.523 521 HG2 GLU 68 1HG GLU 68 -1.352 3.338 -25.457 522 HG3 GLU 68 2HG GLU 68 -2.024 4.891 -25.950 523 H ILE 69 H ILE 69 -3.556 6.702 -22.852 524 HA ILE 69 HA ILE 69 -4.860 7.487 -25.293 525 HB ILE 69 HB ILE 69 -5.652 7.754 -22.367 526 HG12 ILE 69 1HG1 ILE 69 -6.751 5.955 -24.534 527 HG13 ILE 69 2HG1 ILE 69 -5.477 5.474 -23.424 528 HG21 ILE 69 1HG2 ILE 69 -7.902 8.327 -23.185 529 HG22 ILE 69 2HG2 ILE 69 -6.712 9.557 -23.671 530 HG23 ILE 69 3HG2 ILE 69 -7.290 8.363 -24.855 531 HD11 ILE 69 1HD1 ILE 69 -7.645 4.668 -22.674 532 HD12 ILE 69 2HD1 ILE 69 -6.981 5.847 -21.516 533 HD13 ILE 69 3HD1 ILE 69 -8.272 6.333 -22.642 534 H SER 70 H SER 70 -3.481 9.293 -22.556 535 HA SER 70 HA SER 70 -4.511 11.839 -23.447 536 HB2 SER 70 1HB SER 70 -3.190 12.782 -21.683 537 HB3 SER 70 2HB SER 70 -3.877 11.279 -21.089 538 HG SER 70 HG SER 70 -1.675 10.578 -22.188 539 H ARG 71 H ARG 71 -1.890 9.886 -24.443 540 HA ARG 71 HA ARG 71 -0.173 10.232 -25.937 541 HB2 ARG 71 1HB ARG 71 -1.456 12.890 -26.619 542 HB3 ARG 71 2HB ARG 71 -0.414 11.902 -27.632 543 HG2 ARG 71 1HG ARG 71 -3.265 11.314 -26.813 544 HG3 ARG 71 2HG ARG 71 -2.643 11.692 -28.438 545 HD2 ARG 71 1HD ARG 71 -1.906 9.271 -26.811 546 HD3 ARG 71 2HD ARG 71 -3.115 9.315 -28.116 547 HE ARG 71 HE ARG 71 -0.968 10.267 -29.396 548 HH11 ARG 71 1HH1 ARG 71 -1.300 7.525 -27.226 549 HH12 ARG 71 2HH1 ARG 71 -0.024 6.604 -27.992 550 HH21 ARG 71 1HH2 ARG 71 0.686 9.063 -30.381 551 HH22 ARG 71 2HH2 ARG 71 1.100 7.474 -29.778 552 H ARG 72 H ARG 72 0.501 10.777 -23.398 553 HA ARG 72 HA ARG 72 2.209 13.212 -23.676 554 HB2 ARG 72 1HB ARG 72 0.750 12.236 -21.200 555 HB3 ARG 72 2HB ARG 72 1.994 13.475 -21.184 556 HG2 ARG 72 1HG ARG 72 -0.620 13.663 -22.701 557 HG3 ARG 72 2HG ARG 72 -0.274 14.410 -21.122 558 HD2 ARG 72 1HD ARG 72 1.057 14.983 -23.756 559 HD3 ARG 72 2HD ARG 72 -0.015 16.049 -22.819 560 HE ARG 72 HE ARG 72 2.809 15.562 -22.394 561 HH11 ARG 72 1HH1 ARG 72 -0.200 16.581 -20.893 562 HH12 ARG 72 2HH1 ARG 72 0.593 17.501 -19.634 563 HH21 ARG 72 1HH2 ARG 72 3.827 16.759 -20.754 564 HH22 ARG 72 2HH2 ARG 72 2.872 17.602 -19.554 565 HA PRO 73 HA PRO 73 5.001 9.619 -23.130 566 HB2 PRO 73 1HB PRO 73 6.758 11.819 -24.273 567 HB3 PRO 73 2HB PRO 73 6.746 10.093 -24.658 568 HG2 PRO 73 1HG PRO 73 5.591 11.773 -26.367 569 HG3 PRO 73 2HG PRO 73 4.771 10.258 -25.979 570 HD2 PRO 73 1HD PRO 73 4.250 13.053 -24.888 571 HD3 PRO 73 2HD PRO 73 3.060 11.798 -25.420 572 H ASP 74 H ASP 74 5.118 13.055 -22.305 573 HA ASP 74 HA ASP 74 7.305 13.127 -20.550 574 HB2 ASP 74 1HB ASP 74 4.637 14.581 -20.420 575 HB3 ASP 74 2HB ASP 74 5.985 14.945 -19.352 576 H LEU 75 H LEU 75 4.005 11.963 -19.993 577 HA LEU 75 HA LEU 75 4.726 11.325 -17.183 578 HB2 LEU 75 1HB LEU 75 2.052 11.248 -18.624 579 HB3 LEU 75 2HB LEU 75 2.299 10.868 -16.918 580 HG LEU 75 HG LEU 75 2.789 13.579 -18.201 581 HD11 LEU 75 1HD1 LEU 75 0.776 14.249 -16.968 582 HD12 LEU 75 2HD1 LEU 75 0.425 12.974 -18.158 583 HD13 LEU 75 3HD1 LEU 75 0.547 12.570 -16.428 584 HD21 LEU 75 1HD2 LEU 75 3.025 14.328 -15.857 585 HD22 LEU 75 2HD2 LEU 75 2.828 12.649 -15.300 586 HD23 LEU 75 3HD2 LEU 75 4.252 13.105 -16.265 587 H LEU 76 H LEU 76 3.788 9.853 -20.249 588 HA LEU 76 HA LEU 76 3.266 7.229 -19.319 589 HB2 LEU 76 1HB LEU 76 2.759 8.024 -21.602 590 HB3 LEU 76 2HB LEU 76 4.486 8.120 -21.958 591 HG LEU 76 HG LEU 76 4.655 5.651 -21.668 592 HD11 LEU 76 1HD1 LEU 76 2.588 4.334 -21.539 593 HD12 LEU 76 2HD1 LEU 76 2.800 5.366 -20.105 594 HD13 LEU 76 3HD1 LEU 76 1.644 5.832 -21.375 595 HD21 LEU 76 1HD2 LEU 76 3.466 5.100 -23.763 596 HD22 LEU 76 2HD2 LEU 76 2.531 6.609 -23.631 597 HD23 LEU 76 3HD2 LEU 76 4.291 6.672 -23.891 598 H THR 77 H THR 77 6.317 8.718 -20.430 599 HA THR 77 HA THR 77 8.009 6.504 -20.216 600 HB THR 77 HB THR 77 8.645 9.387 -19.450 601 HG1 THR 77 HG1 THR 77 8.003 9.377 -21.558 602 HG21 THR 77 1HG2 THR 77 10.967 8.762 -19.985 603 HG22 THR 77 2HG2 THR 77 10.337 7.778 -18.644 604 HG23 THR 77 3HG2 THR 77 10.453 7.085 -20.278 605 H MET 78 H MET 78 6.838 8.655 -17.643 606 HA MET 78 HA MET 78 8.628 7.669 -15.635 607 HB2 MET 78 1HB MET 78 5.938 9.072 -15.413 608 HB3 MET 78 2HB MET 78 6.994 8.750 -14.045 609 HG2 MET 78 1HG MET 78 7.697 10.467 -16.443 610 HG3 MET 78 2HG MET 78 7.201 11.055 -14.854 611 HE1 MET 78 1HE MET 78 11.340 9.761 -16.182 612 HE2 MET 78 2HE MET 78 9.907 8.866 -16.743 613 HE3 MET 78 3HE MET 78 10.064 10.606 -17.090 614 H VAL 79 H VAL 79 5.224 6.881 -16.383 615 HA VAL 79 HA VAL 79 4.982 5.098 -14.128 616 HB VAL 79 HB VAL 79 3.095 6.337 -15.345 617 HG11 VAL 79 1HG1 VAL 79 2.089 5.206 -17.268 618 HG12 VAL 79 2HG1 VAL 79 3.735 5.784 -17.621 619 HG13 VAL 79 3HG1 VAL 79 3.447 4.057 -17.301 620 HG21 VAL 79 1HG2 VAL 79 1.486 4.495 -14.968 621 HG22 VAL 79 2HG2 VAL 79 2.831 3.330 -14.928 622 HG23 VAL 79 3HG2 VAL 79 2.692 4.574 -13.662 623 H VAL 80 H VAL 80 5.916 4.724 -17.497 624 HA VAL 80 HA VAL 80 5.855 1.855 -17.562 625 HB VAL 80 HB VAL 80 7.499 3.905 -19.099 626 HG11 VAL 80 1HG1 VAL 80 8.085 2.095 -20.640 627 HG12 VAL 80 2HG1 VAL 80 8.745 1.823 -19.010 628 HG13 VAL 80 3HG1 VAL 80 7.310 0.919 -19.552 629 HG21 VAL 80 1HG2 VAL 80 5.940 3.311 -20.926 630 HG22 VAL 80 2HG2 VAL 80 5.101 2.178 -19.840 631 HG23 VAL 80 3HG2 VAL 80 5.063 3.926 -19.506 632 H ASP 81 H ASP 81 8.446 4.205 -16.811 633 HA ASP 81 HA ASP 81 10.412 2.252 -16.104 634 HB2 ASP 81 1HB ASP 81 10.019 5.154 -15.294 635 HB3 ASP 81 2HB ASP 81 11.389 4.197 -14.744 636 H TYR 82 H TYR 82 7.857 3.876 -14.255 637 HA TYR 82 HA TYR 82 8.665 2.832 -11.699 638 HB2 TYR 82 1HB TYR 82 5.999 3.881 -12.722 639 HB3 TYR 82 2HB TYR 82 6.277 3.411 -11.050 640 HD1 TYR 82 HD1 TYR 82 9.356 4.587 -11.870 641 HD2 TYR 82 HD2 TYR 82 5.347 6.029 -11.367 642 HE1 TYR 82 HE1 TYR 82 10.230 6.846 -11.378 643 HE2 TYR 82 HE2 TYR 82 6.221 8.288 -10.876 644 HH TYR 82 HH TYR 82 9.718 8.933 -10.811 645 H ARG 83 H ARG 83 6.428 1.686 -14.207 646 HA ARG 83 HA ARG 83 5.468 -0.611 -12.857 647 HB2 ARG 83 1HB ARG 83 4.577 0.180 -15.016 648 HB3 ARG 83 2HB ARG 83 6.084 -0.250 -15.811 649 HG2 ARG 83 1HG ARG 83 5.700 -2.607 -15.369 650 HG3 ARG 83 2HG ARG 83 4.231 -2.217 -14.442 651 HD2 ARG 83 1HD ARG 83 3.183 -1.325 -16.401 652 HD3 ARG 83 2HD ARG 83 4.671 -1.561 -17.344 653 HE ARG 83 HE ARG 83 3.930 -4.041 -16.231 654 HH11 ARG 83 1HH1 ARG 83 2.768 -1.719 -18.597 655 HH12 ARG 83 2HH1 ARG 83 1.954 -2.927 -19.567 656 HH21 ARG 83 1HH2 ARG 83 2.870 -5.598 -17.497 657 HH22 ARG 83 2HH2 ARG 83 2.011 -5.122 -18.945 658 H THR 84 H THR 84 8.396 -0.145 -14.846 659 HA THR 84 HA THR 84 9.368 -2.811 -14.638 660 HB THR 84 HB THR 84 10.917 -0.199 -14.916 661 HG1 THR 84 HG1 THR 84 9.626 -0.459 -16.688 662 HG21 THR 84 1HG2 THR 84 12.719 -1.620 -15.811 663 HG22 THR 84 2HG2 THR 84 12.347 -2.051 -14.125 664 HG23 THR 84 3HG2 THR 84 11.756 -3.073 -15.455 665 H ARG 85 H ARG 85 9.818 0.030 -12.545 666 HA ARG 85 HA ARG 85 11.672 -1.115 -10.739 667 HB2 ARG 85 1HB ARG 85 9.502 0.966 -10.354 668 HB3 ARG 85 2HB ARG 85 10.615 0.512 -9.072 669 HG2 ARG 85 1HG ARG 85 12.516 1.240 -10.445 670 HG3 ARG 85 2HG ARG 85 11.394 1.689 -11.752 671 HD2 ARG 85 1HD ARG 85 10.296 3.260 -10.229 672 HD3 ARG 85 2HD ARG 85 11.490 2.848 -8.978 673 HE ARG 85 HE ARG 85 11.894 4.491 -11.352 674 HH11 ARG 85 1HH1 ARG 85 13.398 2.658 -8.760 675 HH12 ARG 85 2HH1 ARG 85 14.920 3.513 -8.870 676 HH21 ARG 85 1HH2 ARG 85 13.875 5.593 -11.486 677 HH22 ARG 85 2HH2 ARG 85 15.191 5.174 -10.412 678 H VAL 86 H VAL 86 8.103 -1.156 -10.726 679 HA VAL 86 HA VAL 86 7.770 -2.637 -8.328 680 HB VAL 86 HB VAL 86 6.092 -2.519 -10.867 681 HG11 VAL 86 1HG1 VAL 86 4.271 -3.488 -9.551 682 HG12 VAL 86 2HG1 VAL 86 5.638 -4.612 -9.724 683 HG13 VAL 86 3HG1 VAL 86 5.390 -3.742 -8.191 684 HG21 VAL 86 1HG2 VAL 86 4.672 -1.040 -9.481 685 HG22 VAL 86 2HG2 VAL 86 5.810 -1.220 -8.125 686 HG23 VAL 86 3HG2 VAL 86 6.327 -0.400 -9.617 687 H LEU 87 H LEU 87 8.230 -3.703 -11.698 688 HA LEU 87 HA LEU 87 7.914 -6.492 -11.192 689 HB2 LEU 87 1HB LEU 87 9.461 -4.991 -13.329 690 HB3 LEU 87 2HB LEU 87 9.248 -6.744 -13.328 691 HG LEU 87 HG LEU 87 6.972 -4.736 -13.455 692 HD11 LEU 87 1HD1 LEU 87 6.835 -5.376 -15.821 693 HD12 LEU 87 2HD1 LEU 87 8.393 -4.608 -15.437 694 HD13 LEU 87 3HD1 LEU 87 8.297 -6.374 -15.636 695 HD21 LEU 87 1HD2 LEU 87 5.653 -6.734 -14.072 696 HD22 LEU 87 2HD2 LEU 87 7.098 -7.753 -13.861 697 HD23 LEU 87 3HD2 LEU 87 6.384 -6.921 -12.459 698 H LYS 88 H LYS 88 10.708 -4.328 -11.002 699 HA LYS 88 HA LYS 88 12.634 -6.416 -10.510 700 HB2 LYS 88 1HB LYS 88 12.632 -3.431 -9.946 701 HB3 LYS 88 2HB LYS 88 13.996 -4.469 -9.554 702 HG2 LYS 88 1HG LYS 88 14.217 -5.086 -11.933 703 HG3 LYS 88 2HG LYS 88 12.844 -4.043 -12.327 704 HD2 LYS 88 1HD LYS 88 14.063 -2.078 -11.514 705 HD3 LYS 88 2HD LYS 88 15.418 -3.098 -11.010 706 HE2 LYS 88 1HE LYS 88 15.785 -3.779 -13.355 707 HE3 LYS 88 2HE LYS 88 14.422 -2.779 -13.866 708 HZ1 LYS 88 1HZ LYS 88 16.505 -1.661 -14.181 709 HZ2 LYS 88 2HZ LYS 88 15.607 -0.856 -13.056 710 HZ3 LYS 88 3HZ LYS 88 16.879 -1.789 -12.580 711 H ILE 89 H ILE 89 10.579 -4.412 -8.433 712 HA ILE 89 HA ILE 89 11.742 -5.309 -5.960 713 HB ILE 89 HB ILE 89 9.047 -4.064 -6.626 714 HG12 ILE 89 1HG1 ILE 89 11.415 -2.894 -5.159 715 HG13 ILE 89 2HG1 ILE 89 11.182 -2.734 -6.893 716 HG21 ILE 89 1HG2 ILE 89 8.764 -3.745 -4.202 717 HG22 ILE 89 2HG2 ILE 89 8.823 -5.474 -4.616 718 HG23 ILE 89 3HG2 ILE 89 10.246 -4.681 -3.901 719 HD11 ILE 89 1HD1 ILE 89 10.386 -0.762 -5.715 720 HD12 ILE 89 2HD1 ILE 89 9.034 -1.603 -6.512 721 HD13 ILE 89 3HD1 ILE 89 9.271 -1.762 -4.756 722 H SER 90 H SER 90 8.895 -6.348 -7.839 723 HA SER 90 HA SER 90 8.041 -8.308 -5.924 724 HB2 SER 90 1HB SER 90 6.517 -7.419 -7.599 725 HB3 SER 90 2HB SER 90 7.521 -8.036 -8.902 726 HG SER 90 HG SER 90 6.551 -9.815 -8.714 Start of MODEL 4 1 H1 MET 1 1H MET 1 0.378 -1.626 -0.424 2 H2 MET 1 2H MET 1 0.366 -0.229 0.421 3 H3 MET 1 3H MET 1 0.342 -0.197 -1.211 4 HA MET 1 HA MET 1 2.522 -1.152 0.465 5 HB2 MET 1 1HB MET 1 2.275 -0.935 -2.560 6 HB3 MET 1 2HB MET 1 3.763 -1.307 -1.702 7 HG2 MET 1 1HG MET 1 1.249 -2.998 -1.592 8 HG3 MET 1 2HG MET 1 2.627 -3.297 -2.654 9 HE1 MET 1 1HE MET 1 2.813 -6.127 0.109 10 HE2 MET 1 2HE MET 1 1.328 -5.368 -0.516 11 HE3 MET 1 3HE MET 1 2.649 -5.790 -1.631 12 H ALA 2 H ALA 2 4.082 0.254 0.951 13 HA ALA 2 HA ALA 2 3.587 3.052 0.705 14 HB1 ALA 2 1HB ALA 2 5.885 3.319 1.580 15 HB2 ALA 2 2HB ALA 2 4.966 2.106 2.503 16 HB3 ALA 2 3HB ALA 2 6.180 1.586 1.312 17 H GLU 3 H GLU 3 5.496 0.794 -1.226 18 HA GLU 3 HA GLU 3 6.777 2.761 -2.864 19 HB2 GLU 3 1HB GLU 3 7.473 0.368 -2.728 20 HB3 GLU 3 2HB GLU 3 5.996 -0.101 -3.558 21 HG2 GLU 3 1HG GLU 3 7.706 -0.113 -5.175 22 HG3 GLU 3 2HG GLU 3 6.731 1.320 -5.500 23 H TYR 4 H TYR 4 3.752 0.908 -3.273 24 HA TYR 4 HA TYR 4 3.019 1.861 -5.809 25 HB2 TYR 4 1HB TYR 4 1.731 0.103 -4.814 26 HB3 TYR 4 2HB TYR 4 1.354 1.075 -3.397 27 HD1 TYR 4 HD1 TYR 4 0.877 1.050 -7.110 28 HD2 TYR 4 HD2 TYR 4 -0.673 2.180 -3.272 29 HE1 TYR 4 HE1 TYR 4 -1.227 1.790 -8.176 30 HE2 TYR 4 HE2 TYR 4 -2.776 2.920 -4.338 31 HH TYR 4 HH TYR 4 -3.843 3.263 -6.260 32 H GLY 5 H GLY 5 2.200 3.275 -2.626 33 HA2 GLY 5 1HA GLY 5 0.842 5.569 -3.612 34 HA3 GLY 5 2HA GLY 5 1.628 5.447 -2.049 35 H THR 6 H THR 6 4.289 5.001 -2.863 36 HA THR 6 HA THR 6 5.156 7.683 -3.280 37 HB THR 6 HB THR 6 6.698 5.071 -3.600 38 HG1 THR 6 HG1 THR 6 6.027 5.281 -1.498 39 HG21 THR 6 1HG2 THR 6 8.699 6.474 -3.287 40 HG22 THR 6 2HG2 THR 6 7.805 6.957 -4.749 41 HG23 THR 6 3HG2 THR 6 7.679 7.931 -3.266 42 H LEU 7 H LEU 7 4.829 4.925 -5.493 43 HA LEU 7 HA LEU 7 6.161 6.131 -7.707 44 HB2 LEU 7 1HB LEU 7 3.992 4.009 -7.584 45 HB3 LEU 7 2HB LEU 7 4.851 4.454 -9.061 46 HG LEU 7 HG LEU 7 6.147 3.286 -6.573 47 HD11 LEU 7 1HD1 LEU 7 6.369 1.257 -7.936 48 HD12 LEU 7 2HD1 LEU 7 4.664 1.694 -7.682 49 HD13 LEU 7 3HD1 LEU 7 5.448 2.034 -9.244 50 HD21 LEU 7 1HD2 LEU 7 8.112 3.060 -8.055 51 HD22 LEU 7 2HD2 LEU 7 7.214 3.863 -9.367 52 HD23 LEU 7 3HD2 LEU 7 7.628 4.766 -7.889 53 H LEU 8 H LEU 8 2.784 6.197 -6.628 54 HA LEU 8 HA LEU 8 1.835 7.662 -8.935 55 HB2 LEU 8 1HB LEU 8 0.682 7.278 -6.151 56 HB3 LEU 8 2HB LEU 8 -0.163 8.096 -7.469 57 HG LEU 8 HG LEU 8 0.666 5.174 -7.397 58 HD11 LEU 8 1HD1 LEU 8 -1.757 4.786 -7.363 59 HD12 LEU 8 2HD1 LEU 8 -1.222 5.723 -5.949 60 HD13 LEU 8 3HD1 LEU 8 -2.038 6.542 -7.303 61 HD21 LEU 8 1HD2 LEU 8 -0.545 5.028 -9.548 62 HD22 LEU 8 2HD2 LEU 8 -0.809 6.788 -9.519 63 HD23 LEU 8 3HD2 LEU 8 0.841 6.138 -9.667 64 H GLN 9 H GLN 9 3.156 8.526 -5.782 65 HA GLN 9 HA GLN 9 2.582 11.334 -5.946 66 HB2 GLN 9 1HB GLN 9 3.262 10.146 -3.851 67 HB3 GLN 9 2HB GLN 9 4.875 9.932 -4.516 68 HG2 GLN 9 1HG GLN 9 4.876 11.779 -2.987 69 HG3 GLN 9 2HG GLN 9 5.120 12.398 -4.643 70 HE21 GLN 9 1HE2 GLN 9 2.602 14.736 -4.241 71 HE22 GLN 9 2HE2 GLN 9 4.182 14.322 -4.818 72 H ASP 10 H ASP 10 5.316 9.343 -7.031 73 HA ASP 10 HA ASP 10 6.957 11.469 -7.967 74 HB2 ASP 10 1HB ASP 10 6.659 8.580 -8.858 75 HB3 ASP 10 2HB ASP 10 7.842 9.668 -9.571 76 H LEU 11 H LEU 11 4.384 9.604 -9.589 77 HA LEU 11 HA LEU 11 4.488 11.036 -12.060 78 HB2 LEU 11 1HB LEU 11 2.236 9.576 -10.643 79 HB3 LEU 11 2HB LEU 11 2.072 10.271 -12.258 80 HG LEU 11 HG LEU 11 4.120 8.148 -11.537 81 HD11 LEU 11 1HD1 LEU 11 2.592 6.576 -12.641 82 HD12 LEU 11 2HD1 LEU 11 1.855 7.302 -11.194 83 HD13 LEU 11 3HD1 LEU 11 1.383 7.871 -12.813 84 HD21 LEU 11 1HD2 LEU 11 4.242 7.900 -13.993 85 HD22 LEU 11 2HD2 LEU 11 3.055 9.214 -14.185 86 HD23 LEU 11 3HD2 LEU 11 4.661 9.557 -13.495 87 H THR 12 H THR 12 2.613 11.552 -9.070 88 HA THR 12 HA THR 12 1.015 13.688 -10.007 89 HB THR 12 HB THR 12 2.074 13.167 -7.196 90 HG1 THR 12 HG1 THR 12 0.784 11.480 -7.951 91 HG21 THR 12 1HG2 THR 12 0.182 14.562 -6.459 92 HG22 THR 12 2HG2 THR 12 1.303 15.497 -7.477 93 HG23 THR 12 3HG2 THR 12 -0.231 14.905 -8.155 94 H ASN 13 H ASN 13 4.308 13.663 -8.711 95 HA ASN 13 HA ASN 13 4.504 16.495 -8.324 96 HB2 ASN 13 1HB ASN 13 6.594 14.337 -8.730 97 HB3 ASN 13 2HB ASN 13 7.005 16.020 -8.422 98 HD21 ASN 13 1HD2 ASN 13 6.953 14.096 -5.233 99 HD22 ASN 13 2HD2 ASN 13 7.752 13.907 -6.757 100 H ASN 14 H ASN 14 4.520 14.565 -11.157 101 HA ASN 14 HA ASN 14 5.740 16.818 -12.697 102 HB2 ASN 14 1HB ASN 14 5.610 13.846 -13.282 103 HB3 ASN 14 2HB ASN 14 6.077 15.043 -14.482 104 HD21 ASN 14 1HD2 ASN 14 8.666 13.811 -11.632 105 HD22 ASN 14 2HD2 ASN 14 7.034 13.240 -11.716 106 H ILE 15 H ILE 15 2.890 16.305 -11.737 107 HA ILE 15 HA ILE 15 1.672 16.714 -14.437 108 HB ILE 15 HB ILE 15 0.400 15.594 -11.904 109 HG12 ILE 15 1HG1 ILE 15 0.748 14.312 -14.620 110 HG13 ILE 15 2HG1 ILE 15 1.859 14.076 -13.280 111 HG21 ILE 15 1HG2 ILE 15 -1.650 15.399 -13.253 112 HG22 ILE 15 2HG2 ILE 15 -1.154 17.100 -13.086 113 HG23 ILE 15 3HG2 ILE 15 -0.844 16.228 -14.605 114 HD11 ILE 15 1HD1 ILE 15 0.270 12.242 -13.435 115 HD12 ILE 15 2HD1 ILE 15 0.040 13.145 -11.917 116 HD13 ILE 15 3HD1 ILE 15 -1.087 13.382 -13.275 117 H THR 16 H THR 16 1.230 18.749 -14.840 118 HA THR 16 HA THR 16 0.886 20.646 -12.609 119 HB THR 16 HB THR 16 0.925 22.387 -14.338 120 HG1 THR 16 HG1 THR 16 1.234 20.346 -16.291 121 HG21 THR 16 1HG2 THR 16 3.166 21.963 -15.270 122 HG22 THR 16 2HG2 THR 16 3.085 21.476 -13.560 123 HG23 THR 16 3HG2 THR 16 3.024 20.244 -14.842 124 H LEU 17 H LEU 17 -0.831 22.422 -13.058 125 HA LEU 17 HA LEU 17 -3.374 21.182 -12.709 126 HB2 LEU 17 1HB LEU 17 -2.592 24.049 -13.329 127 HB3 LEU 17 2HB LEU 17 -4.245 23.547 -12.967 128 HG LEU 17 HG LEU 17 -1.892 23.243 -11.069 129 HD11 LEU 17 1HD1 LEU 17 -2.918 25.116 -9.859 130 HD12 LEU 17 2HD1 LEU 17 -2.413 25.589 -11.499 131 HD13 LEU 17 3HD1 LEU 17 -4.132 25.283 -11.149 132 HD21 LEU 17 1HD2 LEU 17 -3.671 22.761 -9.422 133 HD22 LEU 17 2HD2 LEU 17 -4.896 22.895 -10.707 134 HD23 LEU 17 3HD2 LEU 17 -3.696 21.583 -10.756 135 H GLU 18 H GLU 18 -1.830 22.711 -15.514 136 HA GLU 18 HA GLU 18 -4.116 22.505 -17.245 137 HB2 GLU 18 1HB GLU 18 -2.242 23.999 -17.763 138 HB3 GLU 18 2HB GLU 18 -1.138 22.636 -17.867 139 HG2 GLU 18 1HG GLU 18 -1.718 23.393 -20.075 140 HG3 GLU 18 2HG GLU 18 -2.369 21.777 -19.812 141 H ASP 19 H ASP 19 -1.356 20.363 -16.574 142 HA ASP 19 HA ASP 19 -1.975 18.348 -18.472 143 HB2 ASP 19 1HB ASP 19 -0.652 18.204 -15.739 144 HB3 ASP 19 2HB ASP 19 -0.786 16.815 -16.808 145 H LEU 20 H LEU 20 -3.148 18.871 -15.155 146 HA LEU 20 HA LEU 20 -4.683 16.498 -14.926 147 HB2 LEU 20 1HB LEU 20 -5.027 19.266 -13.737 148 HB3 LEU 20 2HB LEU 20 -6.078 17.910 -13.316 149 HG LEU 20 HG LEU 20 -3.069 17.949 -12.895 150 HD11 LEU 20 1HD1 LEU 20 -3.626 18.276 -10.527 151 HD12 LEU 20 2HD1 LEU 20 -4.187 19.636 -11.529 152 HD13 LEU 20 3HD1 LEU 20 -5.348 18.418 -10.952 153 HD21 LEU 20 1HD2 LEU 20 -3.549 15.964 -11.502 154 HD22 LEU 20 2HD2 LEU 20 -5.270 16.072 -11.941 155 HD23 LEU 20 3HD2 LEU 20 -4.057 15.702 -13.188 156 H GLU 21 H GLU 21 -5.489 19.683 -16.290 157 HA GLU 21 HA GLU 21 -8.239 19.114 -16.812 158 HB2 GLU 21 1HB GLU 21 -6.285 21.030 -18.141 159 HB3 GLU 21 2HB GLU 21 -8.000 20.978 -18.524 160 HG2 GLU 21 1HG GLU 21 -6.807 21.600 -15.814 161 HG3 GLU 21 2HG GLU 21 -7.463 22.770 -16.957 162 H GLN 22 H GLN 22 -5.281 18.572 -18.692 163 HA GLN 22 HA GLN 22 -6.631 17.559 -21.027 164 HB2 GLN 22 1HB GLN 22 -3.814 17.060 -19.983 165 HB3 GLN 22 2HB GLN 22 -4.393 16.571 -21.569 166 HG2 GLN 22 1HG GLN 22 -4.203 19.413 -20.552 167 HG3 GLN 22 2HG GLN 22 -3.093 18.613 -21.700 168 HE21 GLN 22 1HE2 GLN 22 -5.902 20.725 -23.293 169 HE22 GLN 22 2HE2 GLN 22 -4.973 21.015 -21.859 170 H LEU 23 H LEU 23 -5.421 16.079 -18.044 171 HA LEU 23 HA LEU 23 -5.891 13.366 -18.859 172 HB2 LEU 23 1HB LEU 23 -5.727 14.665 -16.118 173 HB3 LEU 23 2HB LEU 23 -5.851 12.921 -16.373 174 HG LEU 23 HG LEU 23 -3.574 14.650 -17.403 175 HD11 LEU 23 1HD1 LEU 23 -2.277 13.649 -15.576 176 HD12 LEU 23 2HD1 LEU 23 -3.635 14.620 -14.962 177 HD13 LEU 23 3HD1 LEU 23 -3.745 12.844 -14.974 178 HD21 LEU 23 1HD2 LEU 23 -2.492 12.458 -17.775 179 HD22 LEU 23 2HD2 LEU 23 -3.964 11.635 -17.205 180 HD23 LEU 23 3HD2 LEU 23 -4.004 12.591 -18.704 181 H LYS 24 H LYS 24 -7.892 15.842 -17.324 182 HA LYS 24 HA LYS 24 -10.096 14.183 -16.625 183 HB2 LYS 24 1HB LYS 24 -9.930 17.118 -17.396 184 HB3 LYS 24 2HB LYS 24 -11.426 16.353 -16.877 185 HG2 LYS 24 1HG LYS 24 -10.472 15.842 -14.701 186 HG3 LYS 24 2HG LYS 24 -8.894 16.454 -15.214 187 HD2 LYS 24 1HD LYS 24 -10.001 18.695 -15.636 188 HD3 LYS 24 2HD LYS 24 -11.462 18.041 -14.880 189 HE2 LYS 24 1HE LYS 24 -10.173 17.581 -12.810 190 HE3 LYS 24 2HE LYS 24 -8.729 18.266 -13.564 191 HZ1 LYS 24 1HZ LYS 24 -9.840 19.857 -12.178 192 HZ2 LYS 24 2HZ LYS 24 -9.890 20.357 -13.750 193 HZ3 LYS 24 3HZ LYS 24 -11.237 19.719 -13.045 194 H SER 25 H SER 25 -9.275 15.849 -19.654 195 HA SER 25 HA SER 25 -11.713 14.982 -20.983 196 HB2 SER 25 1HB SER 25 -10.758 15.961 -22.958 197 HB3 SER 25 2HB SER 25 -10.426 17.032 -21.606 198 HG SER 25 HG SER 25 -8.416 15.624 -21.503 199 H ALA 26 H ALA 26 -8.473 13.724 -20.549 200 HA ALA 26 HA ALA 26 -8.577 11.780 -22.658 201 HB1 ALA 26 1HB ALA 26 -6.707 10.702 -21.451 202 HB2 ALA 26 2HB ALA 26 -6.464 12.458 -21.610 203 HB3 ALA 26 3HB ALA 26 -6.999 11.771 -20.060 204 H CYS 27 H CYS 27 -9.399 11.649 -19.196 205 HA CYS 27 HA CYS 27 -10.676 9.000 -19.706 206 HB2 CYS 27 1HB CYS 27 -10.598 8.648 -17.293 207 HB3 CYS 27 2HB CYS 27 -8.991 9.034 -17.892 208 HG CYS 27 HG CYS 27 -11.095 11.226 -16.662 209 H LYS 28 H LYS 28 -11.962 11.307 -20.655 210 HA LYS 28 HA LYS 28 -13.707 12.538 -18.776 211 HB2 LYS 28 1HB LYS 28 -13.214 13.437 -21.047 212 HB3 LYS 28 2HB LYS 28 -14.126 12.114 -21.762 213 HG2 LYS 28 1HG LYS 28 -16.183 12.915 -20.717 214 HG3 LYS 28 2HG LYS 28 -15.288 14.197 -19.890 215 HD2 LYS 28 1HD LYS 28 -14.641 15.165 -22.067 216 HD3 LYS 28 2HD LYS 28 -15.510 13.870 -22.906 217 HE2 LYS 28 1HE LYS 28 -17.625 14.613 -21.858 218 HE3 LYS 28 2HE LYS 28 -16.760 15.905 -21.022 219 HZ1 LYS 28 1HZ LYS 28 -17.812 16.692 -23.013 220 HZ2 LYS 28 2HZ LYS 28 -16.175 16.818 -23.162 221 HZ3 LYS 28 3HZ LYS 28 -16.984 15.611 -23.944 222 H GLU 29 H GLU 29 -13.963 9.540 -20.599 223 HA GLU 29 HA GLU 29 -16.831 9.291 -20.029 224 HB2 GLU 29 1HB GLU 29 -14.846 7.424 -21.387 225 HB3 GLU 29 2HB GLU 29 -16.562 7.080 -21.212 226 HG2 GLU 29 1HG GLU 29 -17.110 9.063 -22.548 227 HG3 GLU 29 2HG GLU 29 -15.396 9.440 -22.704 228 H ASP 30 H ASP 30 -13.963 8.634 -18.384 229 HA ASP 30 HA ASP 30 -15.087 6.260 -16.996 230 HB2 ASP 30 1HB ASP 30 -12.309 7.494 -17.038 231 HB3 ASP 30 2HB ASP 30 -12.760 6.193 -15.946 232 H ILE 31 H ILE 31 -13.655 9.456 -16.281 233 HA ILE 31 HA ILE 31 -14.723 9.247 -13.517 234 HB ILE 31 HB ILE 31 -12.821 11.293 -14.739 235 HG12 ILE 31 1HG1 ILE 31 -11.790 9.110 -14.658 236 HG13 ILE 31 2HG1 ILE 31 -11.089 10.157 -13.435 237 HG21 ILE 31 1HG2 ILE 31 -12.431 11.964 -12.403 238 HG22 ILE 31 2HG2 ILE 31 -14.135 12.195 -12.858 239 HG23 ILE 31 3HG2 ILE 31 -13.663 10.801 -11.858 240 HD11 ILE 31 1HD1 ILE 31 -11.438 7.912 -12.570 241 HD12 ILE 31 2HD1 ILE 31 -12.464 9.082 -11.707 242 HD13 ILE 31 3HD1 ILE 31 -13.174 8.019 -12.945 243 HA PRO 32 HA PRO 32 -18.237 11.614 -14.714 244 HB2 PRO 32 1HB PRO 32 -18.225 12.099 -11.711 245 HB3 PRO 32 2HB PRO 32 -19.575 11.641 -12.757 246 HG2 PRO 32 1HG PRO 32 -18.442 9.753 -11.264 247 HG3 PRO 32 2HG PRO 32 -18.849 9.380 -12.942 248 HD2 PRO 32 1HD PRO 32 -16.151 10.114 -11.740 249 HD3 PRO 32 2HD PRO 32 -16.545 8.847 -12.972 250 H SER 33 H SER 33 -18.659 13.795 -15.020 251 HA SER 33 HA SER 33 -16.459 15.604 -14.853 252 HB2 SER 33 1HB SER 33 -18.001 17.272 -15.674 253 HB3 SER 33 2HB SER 33 -18.313 15.756 -16.504 254 HG SER 33 HG SER 33 -19.845 17.181 -14.759 255 H GLU 34 H GLU 34 -19.166 14.947 -12.706 256 HA GLU 34 HA GLU 34 -18.815 17.236 -11.007 257 HB2 GLU 34 1HB GLU 34 -19.989 14.477 -10.490 258 HB3 GLU 34 2HB GLU 34 -20.015 15.776 -9.305 259 HG2 GLU 34 1HG GLU 34 -21.343 17.163 -10.818 260 HG3 GLU 34 2HG GLU 34 -21.274 15.908 -12.053 261 H LYS 35 H LYS 35 -17.319 14.038 -11.133 262 HA LYS 35 HA LYS 35 -15.828 14.514 -8.648 263 HB2 LYS 35 1HB LYS 35 -15.641 12.286 -10.715 264 HB3 LYS 35 2HB LYS 35 -14.748 12.328 -9.201 265 HG2 LYS 35 1HG LYS 35 -17.758 12.162 -9.515 266 HG3 LYS 35 2HG LYS 35 -16.666 10.874 -8.985 267 HD2 LYS 35 1HD LYS 35 -16.036 12.235 -7.006 268 HD3 LYS 35 2HD LYS 35 -17.157 13.500 -7.531 269 HE2 LYS 35 1HE LYS 35 -19.031 11.859 -7.388 270 HE3 LYS 35 2HE LYS 35 -17.898 10.647 -6.786 271 HZ1 LYS 35 1HZ LYS 35 -19.062 11.725 -5.007 272 HZ2 LYS 35 2HZ LYS 35 -17.453 12.076 -4.911 273 HZ3 LYS 35 3HZ LYS 35 -18.513 13.208 -5.472 274 H SER 36 H SER 36 -15.364 14.877 -12.093 275 HA SER 36 HA SER 36 -12.528 15.211 -12.085 276 HB2 SER 36 1HB SER 36 -14.675 16.441 -13.844 277 HB3 SER 36 2HB SER 36 -12.951 16.556 -14.162 278 HG SER 36 HG SER 36 -14.487 14.209 -13.932 279 H GLU 37 H GLU 37 -15.208 17.464 -11.477 280 HA GLU 37 HA GLU 37 -13.591 19.815 -11.254 281 HB2 GLU 37 1HB GLU 37 -16.299 19.086 -10.077 282 HB3 GLU 37 2HB GLU 37 -15.569 20.674 -9.890 283 HG2 GLU 37 1HG GLU 37 -15.568 20.988 -12.314 284 HG3 GLU 37 2HG GLU 37 -16.230 19.371 -12.540 285 H GLU 38 H GLU 38 -14.066 17.106 -9.168 286 HA GLU 38 HA GLU 38 -13.281 18.571 -6.744 287 HB2 GLU 38 1HB GLU 38 -13.814 15.621 -7.272 288 HB3 GLU 38 2HB GLU 38 -13.385 16.274 -5.698 289 HG2 GLU 38 1HG GLU 38 -15.412 17.658 -5.705 290 HG3 GLU 38 2HG GLU 38 -15.839 17.034 -7.298 291 H ILE 39 H ILE 39 -11.678 17.289 -9.379 292 HA ILE 39 HA ILE 39 -9.317 16.349 -7.918 293 HB ILE 39 HB ILE 39 -9.815 16.834 -10.885 294 HG12 ILE 39 1HG1 ILE 39 -9.569 14.240 -9.349 295 HG13 ILE 39 2HG1 ILE 39 -11.097 14.991 -9.780 296 HG21 ILE 39 1HG2 ILE 39 -7.703 15.617 -11.238 297 HG22 ILE 39 2HG2 ILE 39 -7.430 17.120 -10.325 298 HG23 ILE 39 3HG2 ILE 39 -7.441 15.555 -9.478 299 HD11 ILE 39 1HD1 ILE 39 -10.508 13.233 -11.354 300 HD12 ILE 39 2HD1 ILE 39 -10.523 14.819 -12.163 301 HD13 ILE 39 3HD1 ILE 39 -8.975 14.057 -11.726 302 H THR 40 H THR 40 -7.934 17.675 -7.001 303 HA THR 40 HA THR 40 -7.371 20.270 -8.376 304 HB THR 40 HB THR 40 -6.634 21.136 -6.181 305 HG1 THR 40 HG1 THR 40 -6.741 19.870 -4.377 306 HG21 THR 40 1HG2 THR 40 -8.839 21.220 -5.085 307 HG22 THR 40 2HG2 THR 40 -8.997 21.417 -6.846 308 HG23 THR 40 3HG2 THR 40 -9.394 19.858 -6.086 309 H THR 41 H THR 41 -6.080 17.282 -7.163 310 HA THR 41 HA THR 41 -3.417 18.108 -8.222 311 HB THR 41 HB THR 41 -2.278 16.898 -6.429 312 HG1 THR 41 HG1 THR 41 -4.346 16.527 -4.735 313 HG21 THR 41 1HG2 THR 41 -2.869 18.332 -4.516 314 HG22 THR 41 2HG2 THR 41 -2.834 19.271 -6.027 315 HG23 THR 41 3HG2 THR 41 -4.392 18.783 -5.318 316 H GLY 42 H GLY 42 -1.992 16.201 -8.665 317 HA2 GLY 42 1HA GLY 42 -3.287 14.270 -10.330 318 HA3 GLY 42 2HA GLY 42 -1.622 14.201 -9.782 319 H SER 43 H SER 43 -2.159 14.198 -6.956 320 HA SER 43 HA SER 43 -2.594 11.447 -6.435 321 HB2 SER 43 1HB SER 43 -1.426 12.949 -4.886 322 HB3 SER 43 2HB SER 43 -2.911 13.844 -4.600 323 HG SER 43 HG SER 43 -2.089 11.866 -3.267 324 H ALA 44 H ALA 44 -4.812 14.231 -6.138 325 HA ALA 44 HA ALA 44 -7.081 12.781 -5.271 326 HB1 ALA 44 1HB ALA 44 -8.394 14.664 -6.191 327 HB2 ALA 44 2HB ALA 44 -6.982 15.234 -5.269 328 HB3 ALA 44 3HB ALA 44 -6.947 15.244 -7.048 329 H TRP 45 H TRP 45 -5.983 13.548 -8.579 330 HA TRP 45 HA TRP 45 -8.076 12.300 -9.989 331 HB2 TRP 45 1HB TRP 45 -6.390 13.653 -11.120 332 HB3 TRP 45 2HB TRP 45 -5.119 12.525 -10.671 333 HD1 TRP 45 HD1 TRP 45 -8.552 12.008 -12.480 334 HE1 TRP 45 HE1 TRP 45 -8.132 10.603 -14.610 335 HE3 TRP 45 HE3 TRP 45 -3.469 11.463 -12.074 336 HZ2 TRP 45 HZ2 TRP 45 -5.923 9.435 -15.924 337 HZ3 TRP 45 HZ3 TRP 45 -2.261 10.187 -13.800 338 HH2 TRP 45 HH2 TRP 45 -3.464 9.189 -15.699 339 H PHE 46 H PHE 46 -5.040 10.901 -8.737 340 HA PHE 46 HA PHE 46 -5.484 8.286 -9.804 341 HB2 PHE 46 1HB PHE 46 -3.793 9.334 -7.514 342 HB3 PHE 46 2HB PHE 46 -3.849 7.625 -7.913 343 HD1 PHE 46 HD1 PHE 46 -1.850 10.306 -8.235 344 HD2 PHE 46 HD2 PHE 46 -3.756 7.412 -10.733 345 HE1 PHE 46 HE1 PHE 46 -0.113 10.654 -9.960 346 HE2 PHE 46 HE2 PHE 46 -2.019 7.756 -12.459 347 HZ PHE 46 HZ PHE 46 -0.199 9.379 -12.073 348 H SER 47 H SER 47 -6.465 9.858 -6.796 349 HA SER 47 HA SER 47 -7.296 7.435 -5.474 350 HB2 SER 47 1HB SER 47 -8.251 8.873 -3.824 351 HB3 SER 47 2HB SER 47 -6.751 9.619 -4.351 352 HG SER 47 HG SER 47 -8.326 10.629 -5.966 353 H PHE 48 H PHE 48 -8.820 9.654 -7.723 354 HA PHE 48 HA PHE 48 -11.487 8.545 -7.369 355 HB2 PHE 48 1HB PHE 48 -10.198 10.345 -9.439 356 HB3 PHE 48 2HB PHE 48 -11.828 9.728 -9.656 357 HD1 PHE 48 HD1 PHE 48 -10.009 12.440 -8.533 358 HD2 PHE 48 HD2 PHE 48 -13.333 10.002 -7.413 359 HE1 PHE 48 HE1 PHE 48 -10.890 14.283 -7.142 360 HE2 PHE 48 HE2 PHE 48 -14.220 11.844 -6.022 361 HZ PHE 48 HZ PHE 48 -12.995 13.985 -5.886 362 H LEU 49 H LEU 49 -8.718 7.936 -9.482 363 HA LEU 49 HA LEU 49 -9.995 6.029 -11.186 364 HB2 LEU 49 1HB LEU 49 -7.108 6.291 -10.275 365 HB3 LEU 49 2HB LEU 49 -7.653 5.171 -11.529 366 HG LEU 49 HG LEU 49 -7.845 8.202 -11.667 367 HD11 LEU 49 1HD1 LEU 49 -6.081 7.982 -13.360 368 HD12 LEU 49 2HD1 LEU 49 -5.545 7.389 -11.770 369 HD13 LEU 49 3HD1 LEU 49 -5.998 6.233 -13.045 370 HD21 LEU 49 1HD2 LEU 49 -8.496 7.776 -14.013 371 HD22 LEU 49 2HD2 LEU 49 -8.447 6.023 -13.709 372 HD23 LEU 49 3HD2 LEU 49 -9.655 7.035 -12.883 373 H GLU 50 H GLU 50 -8.450 5.762 -8.004 374 HA GLU 50 HA GLU 50 -8.823 2.909 -7.780 375 HB2 GLU 50 1HB GLU 50 -8.487 5.096 -5.689 376 HB3 GLU 50 2HB GLU 50 -8.573 3.385 -5.298 377 HG2 GLU 50 1HG GLU 50 -6.554 2.936 -6.551 378 HG3 GLU 50 2HG GLU 50 -6.501 4.597 -7.136 379 H SER 51 H SER 51 -10.751 5.743 -6.818 380 HA SER 51 HA SER 51 -12.718 4.284 -5.354 381 HB2 SER 51 1HB SER 51 -12.893 6.942 -6.808 382 HB3 SER 51 2HB SER 51 -14.125 6.326 -5.717 383 HG SER 51 HG SER 51 -11.450 6.970 -5.162 384 H HIS 52 H HIS 52 -12.413 5.106 -8.781 385 HA HIS 52 HA HIS 52 -15.113 3.948 -9.300 386 HB2 HIS 52 1HB HIS 52 -13.269 5.617 -11.048 387 HB3 HIS 52 2HB HIS 52 -14.807 4.948 -11.576 388 HD1 HIS 52 HD1 HIS 52 -16.928 5.733 -9.915 389 HD2 HIS 52 HD2 HIS 52 -13.533 8.229 -9.964 390 HE1 HIS 52 HE1 HIS 52 -17.691 7.923 -9.148 391 H ASN 53 H ASN 53 -12.288 2.633 -8.842 392 HA ASN 53 HA ASN 53 -11.268 0.704 -9.587 393 HB2 ASN 53 1HB ASN 53 -14.058 0.205 -10.678 394 HB3 ASN 53 2HB ASN 53 -12.792 -1.011 -10.569 395 HD21 ASN 53 1HD2 ASN 53 -15.185 -0.758 -7.553 396 HD22 ASN 53 2HD2 ASN 53 -15.508 -0.487 -9.234 397 H LYS 54 H LYS 54 -10.685 2.861 -11.153 398 HA LYS 54 HA LYS 54 -10.826 1.802 -13.934 399 HB2 LYS 54 1HB LYS 54 -10.009 4.555 -12.921 400 HB3 LYS 54 2HB LYS 54 -10.077 4.070 -14.610 401 HG2 LYS 54 1HG LYS 54 -12.457 4.147 -12.731 402 HG3 LYS 54 2HG LYS 54 -12.034 5.399 -13.907 403 HD2 LYS 54 1HD LYS 54 -12.288 3.784 -15.747 404 HD3 LYS 54 2HD LYS 54 -12.656 2.500 -14.585 405 HE2 LYS 54 1HE LYS 54 -14.693 3.605 -13.900 406 HE3 LYS 54 2HE LYS 54 -14.290 5.048 -14.835 407 HZ1 LYS 54 1HZ LYS 54 -15.875 3.675 -15.970 408 HZ2 LYS 54 2HZ LYS 54 -14.470 3.733 -16.833 409 HZ3 LYS 54 3HZ LYS 54 -14.848 2.385 -15.959 410 H LEU 55 H LEU 55 -8.623 2.657 -11.332 411 HA LEU 55 HA LEU 55 -6.387 1.595 -13.009 412 HB2 LEU 55 1HB LEU 55 -6.081 3.968 -12.479 413 HB3 LEU 55 2HB LEU 55 -6.308 3.636 -10.759 414 HG LEU 55 HG LEU 55 -4.222 2.248 -10.802 415 HD11 LEU 55 1HD1 LEU 55 -2.738 2.449 -12.747 416 HD12 LEU 55 2HD1 LEU 55 -4.269 1.648 -13.169 417 HD13 LEU 55 3HD1 LEU 55 -4.001 3.349 -13.618 418 HD21 LEU 55 1HD2 LEU 55 -2.704 4.193 -10.942 419 HD22 LEU 55 2HD2 LEU 55 -3.967 5.119 -11.789 420 HD23 LEU 55 3HD2 LEU 55 -4.213 4.618 -10.099 421 H ASP 56 H ASP 56 -5.582 -0.273 -12.391 422 HA ASP 56 HA ASP 56 -6.219 -1.261 -9.669 423 HB2 ASP 56 1HB ASP 56 -5.145 -2.651 -12.154 424 HB3 ASP 56 2HB ASP 56 -5.328 -3.448 -10.598 425 H LYS 57 H LYS 57 -4.658 -2.148 -8.287 426 HA LYS 57 HA LYS 57 -2.236 -0.600 -8.182 427 HB2 LYS 57 1HB LYS 57 -3.179 -3.021 -6.603 428 HB3 LYS 57 2HB LYS 57 -1.680 -2.169 -6.259 429 HG2 LYS 57 1HG LYS 57 -2.934 -0.110 -5.788 430 HG3 LYS 57 2HG LYS 57 -4.449 -0.937 -6.174 431 HD2 LYS 57 1HD LYS 57 -4.029 -2.552 -4.339 432 HD3 LYS 57 2HD LYS 57 -2.526 -1.705 -3.947 433 HE2 LYS 57 1HE LYS 57 -3.775 0.336 -3.420 434 HE3 LYS 57 2HE LYS 57 -5.288 -0.435 -3.900 435 HZ1 LYS 57 1HZ LYS 57 -4.992 -0.470 -1.533 436 HZ2 LYS 57 2HZ LYS 57 -4.982 -2.013 -2.117 437 HZ3 LYS 57 3HZ LYS 57 -3.569 -1.291 -1.669 438 H ASP 58 H ASP 58 -3.055 -3.707 -9.526 439 HA ASP 58 HA ASP 58 -0.162 -4.349 -9.843 440 HB2 ASP 58 1HB ASP 58 -2.644 -6.091 -10.098 441 HB3 ASP 58 2HB ASP 58 -1.015 -6.640 -10.462 442 H ASN 59 H ASN 59 -2.115 -2.510 -11.448 443 HA ASN 59 HA ASN 59 -0.988 -3.214 -14.051 444 HB2 ASN 59 1HB ASN 59 -3.008 -4.665 -13.927 445 HB3 ASN 59 2HB ASN 59 -4.002 -3.235 -13.682 446 HD21 ASN 59 1HD2 ASN 59 -4.040 -4.193 -17.271 447 HD22 ASN 59 2HD2 ASN 59 -4.406 -4.996 -15.781 448 H LEU 60 H LEU 60 -0.040 -1.287 -14.257 449 HA LEU 60 HA LEU 60 -1.690 1.139 -13.778 450 HB2 LEU 60 1HB LEU 60 1.304 0.843 -14.207 451 HB3 LEU 60 2HB LEU 60 0.460 2.346 -13.822 452 HG LEU 60 HG LEU 60 0.716 -0.082 -12.013 453 HD11 LEU 60 1HD1 LEU 60 2.103 1.423 -10.658 454 HD12 LEU 60 2HD1 LEU 60 2.789 1.182 -12.281 455 HD13 LEU 60 3HD1 LEU 60 1.932 2.693 -11.892 456 HD21 LEU 60 1HD2 LEU 60 -0.386 1.363 -10.338 457 HD22 LEU 60 2HD2 LEU 60 -0.593 2.633 -11.568 458 HD23 LEU 60 3HD2 LEU 60 -1.448 1.081 -11.738 459 H SER 61 H SER 61 -1.552 -0.781 -16.227 460 HA SER 61 HA SER 61 -0.352 0.754 -18.349 461 HB2 SER 61 1HB SER 61 -1.301 -0.873 -19.822 462 HB3 SER 61 2HB SER 61 -0.777 -1.725 -18.377 463 HG SER 61 HG SER 61 -2.811 -1.880 -17.696 464 H TYR 62 H TYR 62 -3.386 0.912 -16.709 465 HA TYR 62 HA TYR 62 -4.983 2.123 -18.726 466 HB2 TYR 62 1HB TYR 62 -5.965 1.334 -16.640 467 HB3 TYR 62 2HB TYR 62 -4.997 2.464 -15.703 468 HD1 TYR 62 HD1 TYR 62 -7.809 2.156 -18.080 469 HD2 TYR 62 HD2 TYR 62 -5.621 4.756 -15.460 470 HE1 TYR 62 HE1 TYR 62 -9.610 3.842 -18.249 471 HE2 TYR 62 HE2 TYR 62 -7.422 6.441 -15.627 472 HH TYR 62 HH TYR 62 -10.211 5.947 -17.758 473 H ILE 63 H ILE 63 -3.098 3.709 -16.122 474 HA ILE 63 HA ILE 63 -3.587 6.340 -17.189 475 HB ILE 63 HB ILE 63 -1.841 7.065 -15.548 476 HG12 ILE 63 1HG1 ILE 63 -1.556 4.114 -14.940 477 HG13 ILE 63 2HG1 ILE 63 -0.383 5.073 -15.828 478 HG21 ILE 63 1HG2 ILE 63 -3.046 6.336 -13.529 479 HG22 ILE 63 2HG2 ILE 63 -4.180 6.767 -14.830 480 HG23 ILE 63 3HG2 ILE 63 -3.852 5.056 -14.468 481 HD11 ILE 63 1HD1 ILE 63 0.280 4.808 -13.504 482 HD12 ILE 63 2HD1 ILE 63 -0.060 6.518 -13.868 483 HD13 ILE 63 3HD1 ILE 63 -1.247 5.546 -12.966 484 H GLU 64 H GLU 64 -1.160 3.892 -17.762 485 HA GLU 64 HA GLU 64 0.783 5.419 -19.124 486 HB2 GLU 64 1HB GLU 64 1.001 2.997 -18.642 487 HB3 GLU 64 2HB GLU 64 -0.266 2.642 -19.808 488 HG2 GLU 64 1HG GLU 64 1.151 3.595 -21.605 489 HG3 GLU 64 2HG GLU 64 2.427 3.877 -20.422 490 H HIS 65 H HIS 65 -2.239 3.972 -20.372 491 HA HIS 65 HA HIS 65 -1.808 5.065 -23.045 492 HB2 HIS 65 1HB HIS 65 -4.147 3.667 -21.714 493 HB3 HIS 65 2HB HIS 65 -4.224 4.286 -23.357 494 HD1 HIS 65 HD1 HIS 65 -1.956 3.364 -24.851 495 HD2 HIS 65 HD2 HIS 65 -3.357 0.950 -21.692 496 HE1 HIS 65 HE1 HIS 65 -1.183 1.098 -25.340 497 H ILE 66 H ILE 66 -3.514 6.045 -20.136 498 HA ILE 66 HA ILE 66 -4.982 8.205 -21.318 499 HB ILE 66 HB ILE 66 -3.943 7.770 -18.489 500 HG12 ILE 66 1HG1 ILE 66 -5.607 6.154 -19.226 501 HG13 ILE 66 2HG1 ILE 66 -6.254 7.216 -17.985 502 HG21 ILE 66 1HG2 ILE 66 -5.469 9.586 -17.829 503 HG22 ILE 66 2HG2 ILE 66 -4.206 10.181 -18.930 504 HG23 ILE 66 3HG2 ILE 66 -5.852 9.892 -19.540 505 HD11 ILE 66 1HD1 ILE 66 -7.890 6.818 -19.738 506 HD12 ILE 66 2HD1 ILE 66 -7.418 8.534 -19.701 507 HD13 ILE 66 3HD1 ILE 66 -6.765 7.456 -20.959 508 H PHE 67 H PHE 67 -1.727 7.980 -19.896 509 HA PHE 67 HA PHE 67 -1.081 10.755 -20.304 510 HB2 PHE 67 1HB PHE 67 0.611 8.265 -19.917 511 HB3 PHE 67 2HB PHE 67 1.323 9.854 -20.145 512 HD1 PHE 67 HD1 PHE 67 1.341 7.839 -17.717 513 HD2 PHE 67 HD2 PHE 67 -0.790 11.435 -18.602 514 HE1 PHE 67 HE1 PHE 67 1.101 8.291 -15.298 515 HE2 PHE 67 HE2 PHE 67 -1.030 11.891 -16.184 516 HZ PHE 67 HZ PHE 67 -0.084 10.316 -14.532 517 H GLU 68 H GLU 68 -0.783 7.838 -22.295 518 HA GLU 68 HA GLU 68 0.542 8.991 -24.519 519 HB2 GLU 68 1HB GLU 68 0.013 6.571 -24.298 520 HB3 GLU 68 2HB GLU 68 -1.697 6.924 -24.503 521 HG2 GLU 68 1HG GLU 68 -1.235 7.798 -26.768 522 HG3 GLU 68 2HG GLU 68 0.470 7.404 -26.560 523 H ILE 69 H ILE 69 -2.952 8.850 -23.760 524 HA ILE 69 HA ILE 69 -3.833 10.301 -26.032 525 HB ILE 69 HB ILE 69 -5.008 10.012 -23.241 526 HG12 ILE 69 1HG1 ILE 69 -5.911 8.816 -25.866 527 HG13 ILE 69 2HG1 ILE 69 -4.799 8.009 -24.771 528 HG21 ILE 69 1HG2 ILE 69 -7.093 10.923 -24.180 529 HG22 ILE 69 2HG2 ILE 69 -5.788 12.130 -24.232 530 HG23 ILE 69 3HG2 ILE 69 -6.257 11.266 -25.713 531 HD11 ILE 69 1HD1 ILE 69 -7.075 7.217 -24.449 532 HD12 ILE 69 2HD1 ILE 69 -6.494 8.059 -22.992 533 HD13 ILE 69 3HD1 ILE 69 -7.621 8.875 -24.101 534 H SER 70 H SER 70 -2.742 11.400 -22.835 535 HA SER 70 HA SER 70 -3.361 14.186 -23.400 536 HB2 SER 70 1HB SER 70 -2.363 14.645 -21.268 537 HB3 SER 70 2HB SER 70 -3.322 13.182 -21.106 538 HG SER 70 HG SER 70 -0.889 12.536 -21.913 539 H ARG 71 H ARG 71 -1.007 12.141 -24.543 540 HA ARG 71 HA ARG 71 0.950 12.498 -25.698 541 HB2 ARG 71 1HB ARG 71 0.094 15.411 -25.602 542 HB3 ARG 71 2HB ARG 71 1.377 14.762 -26.612 543 HG2 ARG 71 1HG ARG 71 -0.288 13.345 -27.782 544 HG3 ARG 71 2HG ARG 71 -1.569 14.091 -26.797 545 HD2 ARG 71 1HD ARG 71 -0.976 16.273 -27.678 546 HD3 ARG 71 2HD ARG 71 0.305 15.528 -28.662 547 HE ARG 71 HE ARG 71 -2.091 14.203 -29.263 548 HH11 ARG 71 1HH1 ARG 71 -0.709 17.418 -29.569 549 HH12 ARG 71 2HH1 ARG 71 -1.634 17.816 -31.000 550 HH21 ARG 71 1HH2 ARG 71 -3.286 14.730 -31.120 551 HH22 ARG 71 2HH2 ARG 71 -3.092 16.296 -31.879 552 H ARG 72 H ARG 72 1.418 12.036 -23.142 553 HA ARG 72 HA ARG 72 3.648 13.933 -22.557 554 HB2 ARG 72 1HB ARG 72 1.839 12.550 -20.547 555 HB3 ARG 72 2HB ARG 72 3.300 13.436 -20.134 556 HG2 ARG 72 1HG ARG 72 0.932 14.678 -21.552 557 HG3 ARG 72 2HG ARG 72 1.179 14.697 -19.789 558 HD2 ARG 72 1HD ARG 72 3.300 15.848 -20.109 559 HD3 ARG 72 2HD ARG 72 3.024 15.852 -21.866 560 HE ARG 72 HE ARG 72 1.657 17.477 -19.841 561 HH11 ARG 72 1HH1 ARG 72 1.862 16.431 -23.189 562 HH12 ARG 72 2HH1 ARG 72 0.925 17.777 -23.797 563 HH21 ARG 72 1HH2 ARG 72 0.443 19.220 -20.644 564 HH22 ARG 72 2HH2 ARG 72 0.122 19.356 -22.359 565 HA PRO 73 HA PRO 73 5.258 9.715 -23.389 566 HB2 PRO 73 1HB PRO 73 7.641 11.539 -23.906 567 HB3 PRO 73 2HB PRO 73 7.128 10.101 -24.800 568 HG2 PRO 73 1HG PRO 73 6.568 12.485 -25.834 569 HG3 PRO 73 2HG PRO 73 5.322 11.234 -25.864 570 HD2 PRO 73 1HD PRO 73 5.631 13.588 -23.960 571 HD3 PRO 73 2HD PRO 73 4.131 12.939 -24.739 572 H ASP 74 H ASP 74 6.636 12.487 -21.623 573 HA ASP 74 HA ASP 74 8.595 11.113 -20.113 574 HB2 ASP 74 1HB ASP 74 6.933 13.579 -19.480 575 HB3 ASP 74 2HB ASP 74 8.217 13.000 -18.428 576 H LEU 75 H LEU 75 5.228 11.933 -19.198 577 HA LEU 75 HA LEU 75 5.330 10.476 -16.728 578 HB2 LEU 75 1HB LEU 75 3.019 11.426 -18.449 579 HB3 LEU 75 2HB LEU 75 2.801 10.645 -16.881 580 HG LEU 75 HG LEU 75 4.347 13.227 -17.289 581 HD11 LEU 75 1HD1 LEU 75 2.353 14.327 -16.374 582 HD12 LEU 75 2HD1 LEU 75 2.004 13.510 -17.916 583 HD13 LEU 75 3HD1 LEU 75 1.491 12.771 -16.380 584 HD21 LEU 75 1HD2 LEU 75 4.098 13.386 -14.836 585 HD22 LEU 75 2HD2 LEU 75 3.261 11.815 -14.818 586 HD23 LEU 75 3HD2 LEU 75 4.973 11.905 -15.295 587 H LEU 76 H LEU 76 4.388 9.629 -20.027 588 HA LEU 76 HA LEU 76 3.122 7.155 -19.475 589 HB2 LEU 76 1HB LEU 76 3.153 8.361 -21.677 590 HB3 LEU 76 2HB LEU 76 4.831 7.852 -21.889 591 HG LEU 76 HG LEU 76 2.657 5.798 -21.474 592 HD11 LEU 76 1HD1 LEU 76 2.386 5.695 -23.911 593 HD12 LEU 76 2HD1 LEU 76 1.871 7.268 -23.258 594 HD13 LEU 76 3HD1 LEU 76 3.438 7.118 -24.089 595 HD21 LEU 76 1HD2 LEU 76 4.242 4.431 -22.788 596 HD22 LEU 76 2HD2 LEU 76 5.321 5.837 -22.951 597 HD23 LEU 76 3HD2 LEU 76 5.032 5.120 -21.349 598 H THR 77 H THR 77 6.544 7.850 -20.264 599 HA THR 77 HA THR 77 7.309 5.073 -20.129 600 HB THR 77 HB THR 77 9.648 5.960 -20.189 601 HG1 THR 77 HG1 THR 77 8.343 8.503 -20.128 602 HG21 THR 77 1HG2 THR 77 9.467 7.056 -22.388 603 HG22 THR 77 2HG2 THR 77 8.371 5.657 -22.283 604 HG23 THR 77 3HG2 THR 77 7.726 7.308 -22.125 605 H MET 78 H MET 78 7.171 7.700 -17.797 606 HA MET 78 HA MET 78 8.547 6.422 -15.661 607 HB2 MET 78 1HB MET 78 6.217 8.366 -15.715 608 HB3 MET 78 2HB MET 78 6.948 7.811 -14.216 609 HG2 MET 78 1HG MET 78 9.053 8.823 -14.772 610 HG3 MET 78 2HG MET 78 8.514 9.182 -16.415 611 HE1 MET 78 1HE MET 78 7.036 11.307 -12.585 612 HE2 MET 78 2HE MET 78 6.707 9.585 -12.898 613 HE3 MET 78 3HE MET 78 8.380 10.141 -12.648 614 H VAL 79 H VAL 79 5.103 6.290 -16.601 615 HA VAL 79 HA VAL 79 4.265 4.536 -14.541 616 HB VAL 79 HB VAL 79 3.246 4.918 -17.385 617 HG11 VAL 79 1HG1 VAL 79 1.200 3.786 -16.665 618 HG12 VAL 79 2HG1 VAL 79 2.612 2.704 -16.615 619 HG13 VAL 79 3HG1 VAL 79 1.966 3.394 -15.107 620 HG21 VAL 79 1HG2 VAL 79 1.477 6.215 -16.241 621 HG22 VAL 79 2HG2 VAL 79 2.259 5.898 -14.675 622 HG23 VAL 79 3HG2 VAL 79 3.089 6.885 -15.901 623 H VAL 80 H VAL 80 5.621 3.873 -17.764 624 HA VAL 80 HA VAL 80 5.299 1.088 -17.836 625 HB VAL 80 HB VAL 80 7.583 2.824 -18.857 626 HG11 VAL 80 1HG1 VAL 80 8.179 0.947 -20.308 627 HG12 VAL 80 2HG1 VAL 80 8.378 0.547 -18.587 628 HG13 VAL 80 3HG1 VAL 80 6.972 -0.070 -19.488 629 HG21 VAL 80 1HG2 VAL 80 6.417 2.542 -21.022 630 HG22 VAL 80 2HG2 VAL 80 5.156 1.579 -20.215 631 HG23 VAL 80 3HG2 VAL 80 5.355 3.301 -19.812 632 H ASP 81 H ASP 81 8.059 2.954 -16.515 633 HA ASP 81 HA ASP 81 9.415 0.643 -15.482 634 HB2 ASP 81 1HB ASP 81 9.603 3.604 -14.826 635 HB3 ASP 81 2HB ASP 81 10.622 2.396 -14.055 636 H TYR 82 H TYR 82 7.071 2.920 -14.109 637 HA TYR 82 HA TYR 82 7.299 1.930 -11.413 638 HB2 TYR 82 1HB TYR 82 5.056 3.460 -12.792 639 HB3 TYR 82 2HB TYR 82 5.138 3.154 -11.063 640 HD1 TYR 82 HD1 TYR 82 8.446 3.515 -11.908 641 HD2 TYR 82 HD2 TYR 82 4.850 5.836 -11.606 642 HE1 TYR 82 HE1 TYR 82 9.793 5.565 -11.608 643 HE2 TYR 82 HE2 TYR 82 6.197 7.885 -11.307 644 HH TYR 82 HH TYR 82 9.738 7.749 -11.124 645 H ARG 83 H ARG 83 5.389 0.999 -14.210 646 HA ARG 83 HA ARG 83 3.531 -0.700 -12.880 647 HB2 ARG 83 1HB ARG 83 3.391 0.006 -15.275 648 HB3 ARG 83 2HB ARG 83 4.741 -1.056 -15.644 649 HG2 ARG 83 1HG ARG 83 3.394 -3.000 -14.906 650 HG3 ARG 83 2HG ARG 83 2.023 -1.903 -14.612 651 HD2 ARG 83 1HD ARG 83 1.735 -2.907 -16.736 652 HD3 ARG 83 2HD ARG 83 2.180 -1.204 -16.988 653 HE ARG 83 HE ARG 83 4.361 -3.163 -17.050 654 HH11 ARG 83 1HH1 ARG 83 2.082 -1.183 -18.845 655 HH12 ARG 83 2HH1 ARG 83 2.993 -1.264 -20.337 656 HH21 ARG 83 1HH2 ARG 83 5.536 -3.260 -18.991 657 HH22 ARG 83 2HH2 ARG 83 4.948 -2.440 -20.420 658 H THR 84 H THR 84 6.823 -1.277 -14.102 659 HA THR 84 HA THR 84 6.922 -4.044 -13.327 660 HB THR 84 HB THR 84 9.173 -2.013 -13.653 661 HG1 THR 84 HG1 THR 84 8.280 -2.294 -15.625 662 HG21 THR 84 1HG2 THR 84 10.621 -3.992 -13.882 663 HG22 THR 84 2HG2 THR 84 9.850 -3.951 -12.280 664 HG23 THR 84 3HG2 THR 84 9.237 -5.053 -13.535 665 H ARG 85 H ARG 85 7.802 -1.016 -11.674 666 HA ARG 85 HA ARG 85 9.086 -2.285 -9.458 667 HB2 ARG 85 1HB ARG 85 7.819 0.453 -9.770 668 HB3 ARG 85 2HB ARG 85 8.674 -0.050 -8.319 669 HG2 ARG 85 1HG ARG 85 10.728 -0.377 -9.636 670 HG3 ARG 85 2HG ARG 85 9.859 0.145 -11.100 671 HD2 ARG 85 1HD ARG 85 11.093 1.984 -10.255 672 HD3 ARG 85 2HD ARG 85 9.366 2.285 -9.953 673 HE ARG 85 HE ARG 85 9.724 2.080 -7.670 674 HH11 ARG 85 1HH1 ARG 85 12.643 1.279 -9.453 675 HH12 ARG 85 2HH1 ARG 85 13.671 1.333 -8.040 676 HH21 ARG 85 1HH2 ARG 85 11.069 2.146 -5.842 677 HH22 ARG 85 2HH2 ARG 85 12.781 1.823 -5.995 678 H VAL 86 H VAL 86 5.748 -1.194 -10.007 679 HA VAL 86 HA VAL 86 4.899 -1.585 -7.288 680 HB VAL 86 HB VAL 86 3.779 -0.166 -9.127 681 HG11 VAL 86 1HG1 VAL 86 2.082 -1.295 -10.481 682 HG12 VAL 86 2HG1 VAL 86 3.726 -1.858 -10.867 683 HG13 VAL 86 3HG1 VAL 86 2.648 -2.870 -9.876 684 HG21 VAL 86 1HG2 VAL 86 1.527 -0.558 -8.178 685 HG22 VAL 86 2HG2 VAL 86 2.085 -2.107 -7.501 686 HG23 VAL 86 3HG2 VAL 86 2.774 -0.577 -6.907 687 H LEU 87 H LEU 87 5.188 -3.682 -10.078 688 HA LEU 87 HA LEU 87 3.603 -5.839 -8.951 689 HB2 LEU 87 1HB LEU 87 5.644 -5.716 -11.193 690 HB3 LEU 87 2HB LEU 87 4.793 -7.197 -10.741 691 HG LEU 87 HG LEU 87 3.435 -4.653 -11.700 692 HD11 LEU 87 1HD1 LEU 87 3.106 -5.885 -13.798 693 HD12 LEU 87 2HD1 LEU 87 4.832 -5.639 -13.444 694 HD13 LEU 87 3HD1 LEU 87 4.084 -7.229 -13.162 695 HD21 LEU 87 1HD2 LEU 87 1.474 -6.144 -11.908 696 HD22 LEU 87 2HD2 LEU 87 2.429 -7.492 -11.245 697 HD23 LEU 87 3HD2 LEU 87 2.056 -6.081 -10.227 698 H LYS 88 H LYS 88 6.971 -4.833 -8.833 699 HA LYS 88 HA LYS 88 7.989 -7.263 -7.676 700 HB2 LYS 88 1HB LYS 88 8.990 -4.395 -7.674 701 HB3 LYS 88 2HB LYS 88 9.866 -5.702 -6.888 702 HG2 LYS 88 1HG LYS 88 10.048 -6.884 -9.049 703 HG3 LYS 88 2HG LYS 88 9.172 -5.564 -9.838 704 HD2 LYS 88 1HD LYS 88 10.936 -3.980 -9.235 705 HD3 LYS 88 2HD LYS 88 11.787 -5.233 -8.322 706 HE2 LYS 88 1HE LYS 88 12.102 -6.540 -10.394 707 HE3 LYS 88 2HE LYS 88 11.238 -5.304 -11.312 708 HZ1 LYS 88 1HZ LYS 88 13.601 -5.035 -11.480 709 HZ2 LYS 88 2HZ LYS 88 12.949 -3.737 -10.701 710 HZ3 LYS 88 3HZ LYS 88 13.756 -4.891 -9.845 711 H ILE 89 H ILE 89 6.808 -4.203 -6.279 712 HA ILE 89 HA ILE 89 7.300 -5.069 -3.556 713 HB ILE 89 HB ILE 89 7.173 -2.644 -4.361 714 HG12 ILE 89 1HG1 ILE 89 6.050 -1.869 -2.278 715 HG13 ILE 89 2HG1 ILE 89 5.517 -3.517 -1.981 716 HG21 ILE 89 1HG2 ILE 89 4.930 -1.633 -4.418 717 HG22 ILE 89 2HG2 ILE 89 5.108 -2.864 -5.689 718 HG23 ILE 89 3HG2 ILE 89 4.195 -3.241 -4.210 719 HD11 ILE 89 1HD1 ILE 89 7.506 -2.993 -0.686 720 HD12 ILE 89 2HD1 ILE 89 7.854 -4.269 -1.878 721 HD13 ILE 89 3HD1 ILE 89 8.394 -2.599 -2.176 722 H SER 90 H SER 90 4.650 -5.318 -5.826 723 HA SER 90 HA SER 90 2.583 -5.893 -3.924 724 HB2 SER 90 1HB SER 90 2.069 -5.254 -6.216 725 HB3 SER 90 2HB SER 90 2.905 -6.668 -6.840 726 HG SER 90 HG SER 90 0.515 -6.658 -6.503 Start of MODEL 5 1 H1 MET 1 1H MET 1 7.028 -1.634 0.394 2 H2 MET 1 2H MET 1 7.910 -0.447 -0.299 3 H3 MET 1 3H MET 1 7.239 -0.214 1.171 4 HA MET 1 HA MET 1 5.813 -0.574 -1.340 5 HB2 MET 1 1HB MET 1 4.818 -0.115 1.497 6 HB3 MET 1 2HB MET 1 3.807 0.033 0.067 7 HG2 MET 1 1HG MET 1 5.205 -2.487 1.008 8 HG3 MET 1 2HG MET 1 3.484 -2.123 1.153 9 HE1 MET 1 1HE MET 1 2.230 -2.235 -2.524 10 HE2 MET 1 2HE MET 1 1.774 -2.143 -0.804 11 HE3 MET 1 3HE MET 1 2.681 -0.809 -1.558 12 H ALA 2 H ALA 2 7.553 1.474 0.751 13 HA ALA 2 HA ALA 2 6.183 3.934 0.281 14 HB1 ALA 2 1HB ALA 2 8.295 4.998 1.007 15 HB2 ALA 2 2HB ALA 2 7.823 3.664 2.085 16 HB3 ALA 2 3HB ALA 2 9.118 3.425 0.888 17 H GLU 3 H GLU 3 8.387 2.055 -1.649 18 HA GLU 3 HA GLU 3 9.224 4.162 -3.414 19 HB2 GLU 3 1HB GLU 3 9.999 2.381 -4.873 20 HB3 GLU 3 2HB GLU 3 10.387 1.965 -3.209 21 HG2 GLU 3 1HG GLU 3 7.851 0.937 -4.443 22 HG3 GLU 3 2HG GLU 3 9.395 0.184 -4.839 23 H TYR 4 H TYR 4 6.296 2.345 -3.106 24 HA TYR 4 HA TYR 4 5.405 2.955 -5.839 25 HB2 TYR 4 1HB TYR 4 4.011 1.667 -3.460 26 HB3 TYR 4 2HB TYR 4 3.241 1.926 -5.018 27 HD1 TYR 4 HD1 TYR 4 4.796 -0.448 -3.067 28 HD2 TYR 4 HD2 TYR 4 4.829 1.074 -7.079 29 HE1 TYR 4 HE1 TYR 4 5.707 -2.599 -3.876 30 HE2 TYR 4 HE2 TYR 4 5.740 -1.076 -7.888 31 HH TYR 4 HH TYR 4 6.570 -3.686 -5.635 32 H GLY 5 H GLY 5 4.675 4.014 -2.520 33 HA2 GLY 5 1HA GLY 5 2.734 5.997 -3.212 34 HA3 GLY 5 2HA GLY 5 3.712 5.983 -1.756 35 H THR 6 H THR 6 6.285 6.021 -3.077 36 HA THR 6 HA THR 6 6.643 8.823 -3.486 37 HB THR 6 HB THR 6 8.436 6.491 -4.286 38 HG1 THR 6 HG1 THR 6 8.148 6.587 -2.060 39 HG21 THR 6 1HG2 THR 6 10.235 8.175 -4.330 40 HG22 THR 6 2HG2 THR 6 8.980 8.552 -5.533 41 HG23 THR 6 3HG2 THR 6 9.046 9.458 -4.004 42 H LEU 7 H LEU 7 6.498 6.105 -5.799 43 HA LEU 7 HA LEU 7 6.867 7.690 -8.138 44 HB2 LEU 7 1HB LEU 7 5.497 5.027 -7.666 45 HB3 LEU 7 2HB LEU 7 5.671 5.738 -9.273 46 HG LEU 7 HG LEU 7 8.015 5.077 -7.459 47 HD11 LEU 7 1HD1 LEU 7 8.313 3.102 -8.887 48 HD12 LEU 7 2HD1 LEU 7 6.765 3.053 -8.011 49 HD13 LEU 7 3HD1 LEU 7 6.797 3.488 -9.736 50 HD21 LEU 7 1HD2 LEU 7 9.287 5.314 -9.565 51 HD22 LEU 7 2HD2 LEU 7 7.785 5.731 -10.425 52 HD23 LEU 7 3HD2 LEU 7 8.421 6.818 -9.168 53 H LEU 8 H LEU 8 3.942 6.716 -6.367 54 HA LEU 8 HA LEU 8 2.069 7.846 -8.203 55 HB2 LEU 8 1HB LEU 8 1.932 7.296 -5.223 56 HB3 LEU 8 2HB LEU 8 0.557 7.899 -6.154 57 HG LEU 8 HG LEU 8 1.980 5.273 -6.712 58 HD11 LEU 8 1HD1 LEU 8 0.023 4.234 -5.656 59 HD12 LEU 8 2HD1 LEU 8 0.924 5.255 -4.511 60 HD13 LEU 8 3HD1 LEU 8 -0.598 5.844 -5.221 61 HD21 LEU 8 1HD2 LEU 8 -0.026 4.842 -8.091 62 HD22 LEU 8 2HD2 LEU 8 -0.649 6.461 -7.690 63 HD23 LEU 8 3HD2 LEU 8 0.838 6.293 -8.653 64 H GLN 9 H GLN 9 3.782 9.187 -5.394 65 HA GLN 9 HA GLN 9 2.523 11.764 -5.492 66 HB2 GLN 9 1HB GLN 9 3.807 10.910 -3.532 67 HB3 GLN 9 2HB GLN 9 5.291 11.013 -4.469 68 HG2 GLN 9 1HG GLN 9 5.126 12.909 -3.008 69 HG3 GLN 9 2HG GLN 9 4.948 13.457 -4.698 70 HE21 GLN 9 1HE2 GLN 9 2.074 15.217 -3.916 71 HE22 GLN 9 2HE2 GLN 9 3.594 15.125 -4.743 72 H ASP 10 H ASP 10 5.438 10.422 -7.018 73 HA ASP 10 HA ASP 10 6.334 12.853 -8.211 74 HB2 ASP 10 1HB ASP 10 6.698 9.936 -8.976 75 HB3 ASP 10 2HB ASP 10 7.437 11.245 -9.888 76 H LEU 11 H LEU 11 4.046 10.364 -9.299 77 HA LEU 11 HA LEU 11 3.564 11.394 -11.898 78 HB2 LEU 11 1HB LEU 11 1.815 9.882 -9.939 79 HB3 LEU 11 2HB LEU 11 1.257 10.324 -11.555 80 HG LEU 11 HG LEU 11 3.683 8.584 -10.987 81 HD11 LEU 11 1HD1 LEU 11 2.246 6.730 -11.707 82 HD12 LEU 11 2HD1 LEU 11 1.619 7.516 -10.240 83 HD13 LEU 11 3HD1 LEU 11 0.863 7.845 -11.817 84 HD21 LEU 11 1HD2 LEU 11 3.507 8.086 -13.402 85 HD22 LEU 11 2HD2 LEU 11 2.141 9.221 -13.536 86 HD23 LEU 11 3HD2 LEU 11 3.764 9.826 -13.124 87 H THR 12 H THR 12 1.949 12.110 -8.789 88 HA THR 12 HA THR 12 0.166 14.080 -9.816 89 HB THR 12 HB THR 12 1.393 13.813 -7.039 90 HG1 THR 12 HG1 THR 12 -0.905 13.018 -6.756 91 HG21 THR 12 1HG2 THR 12 -0.494 15.213 -6.302 92 HG22 THR 12 2HG2 THR 12 0.542 16.094 -7.450 93 HG23 THR 12 3HG2 THR 12 -1.010 15.415 -7.992 94 H ASN 13 H ASN 13 3.500 14.298 -8.616 95 HA ASN 13 HA ASN 13 3.583 17.160 -8.535 96 HB2 ASN 13 1HB ASN 13 5.763 15.063 -8.744 97 HB3 ASN 13 2HB ASN 13 6.096 16.784 -8.603 98 HD21 ASN 13 1HD2 ASN 13 6.194 15.259 -5.234 99 HD22 ASN 13 2HD2 ASN 13 7.021 15.010 -6.735 100 H ASN 14 H ASN 14 3.955 14.854 -11.124 101 HA ASN 14 HA ASN 14 5.162 16.934 -12.866 102 HB2 ASN 14 1HB ASN 14 4.796 13.941 -13.178 103 HB3 ASN 14 2HB ASN 14 5.357 14.978 -14.483 104 HD21 ASN 14 1HD2 ASN 14 8.114 13.462 -12.295 105 HD22 ASN 14 2HD2 ASN 14 6.615 12.783 -12.837 106 H ILE 15 H ILE 15 2.206 16.498 -11.912 107 HA ILE 15 HA ILE 15 1.054 16.856 -14.643 108 HB ILE 15 HB ILE 15 -0.281 16.159 -11.994 109 HG12 ILE 15 1HG1 ILE 15 -0.215 14.587 -14.574 110 HG13 ILE 15 2HG1 ILE 15 0.969 14.374 -13.294 111 HG21 ILE 15 1HG2 ILE 15 -2.379 16.080 -13.280 112 HG22 ILE 15 2HG2 ILE 15 -1.687 17.719 -13.287 113 HG23 ILE 15 3HG2 ILE 15 -1.524 16.679 -14.721 114 HD11 ILE 15 1HD1 ILE 15 -0.794 12.708 -13.142 115 HD12 ILE 15 2HD1 ILE 15 -0.818 13.776 -11.719 116 HD13 ILE 15 3HD1 ILE 15 -2.019 13.991 -13.014 117 H THR 16 H THR 16 0.899 18.882 -15.273 118 HA THR 16 HA THR 16 0.549 21.043 -13.307 119 HB THR 16 HB THR 16 0.690 22.556 -15.225 120 HG1 THR 16 HG1 THR 16 1.201 20.775 -17.184 121 HG21 THR 16 1HG2 THR 16 2.914 21.928 -16.081 122 HG22 THR 16 2HG2 THR 16 2.804 21.645 -14.328 123 HG23 THR 16 3HG2 THR 16 2.691 20.277 -15.460 124 H LEU 17 H LEU 17 -1.109 22.786 -13.949 125 HA LEU 17 HA LEU 17 -3.706 21.672 -13.590 126 HB2 LEU 17 1HB LEU 17 -2.792 24.432 -14.456 127 HB3 LEU 17 2HB LEU 17 -4.480 24.027 -14.128 128 HG LEU 17 HG LEU 17 -2.227 23.837 -12.096 129 HD11 LEU 17 1HD1 LEU 17 -3.239 25.854 -11.129 130 HD12 LEU 17 2HD1 LEU 17 -2.644 26.145 -12.780 131 HD13 LEU 17 3HD1 LEU 17 -4.385 25.930 -12.487 132 HD21 LEU 17 1HD2 LEU 17 -4.096 23.580 -10.499 133 HD22 LEU 17 2HD2 LEU 17 -5.256 23.624 -11.848 134 HD23 LEU 17 3HD2 LEU 17 -4.104 22.275 -11.709 135 H GLU 18 H GLU 18 -2.007 22.873 -16.466 136 HA GLU 18 HA GLU 18 -4.266 22.583 -18.235 137 HB2 GLU 18 1HB GLU 18 -1.270 22.725 -18.744 138 HB3 GLU 18 2HB GLU 18 -2.465 22.654 -20.031 139 HG2 GLU 18 1HG GLU 18 -3.458 24.752 -19.256 140 HG3 GLU 18 2HG GLU 18 -2.308 24.818 -17.922 141 H ASP 19 H ASP 19 -1.502 20.500 -17.398 142 HA ASP 19 HA ASP 19 -2.220 18.376 -19.193 143 HB2 ASP 19 1HB ASP 19 -0.547 18.443 -16.656 144 HB3 ASP 19 2HB ASP 19 -0.764 16.985 -17.614 145 H LEU 20 H LEU 20 -3.100 19.162 -15.858 146 HA LEU 20 HA LEU 20 -4.448 16.753 -15.210 147 HB2 LEU 20 1HB LEU 20 -3.929 18.550 -13.590 148 HB3 LEU 20 2HB LEU 20 -5.113 19.600 -14.374 149 HG LEU 20 HG LEU 20 -6.921 18.027 -13.718 150 HD11 LEU 20 1HD1 LEU 20 -6.415 16.228 -12.127 151 HD12 LEU 20 2HD1 LEU 20 -5.594 15.977 -13.686 152 HD13 LEU 20 3HD1 LEU 20 -4.678 16.578 -12.283 153 HD21 LEU 20 1HD2 LEU 20 -6.838 18.562 -11.307 154 HD22 LEU 20 2HD2 LEU 20 -5.106 18.945 -11.450 155 HD23 LEU 20 3HD2 LEU 20 -6.312 19.950 -12.288 156 H GLU 21 H GLU 21 -5.607 19.701 -16.846 157 HA GLU 21 HA GLU 21 -8.309 18.861 -17.163 158 HB2 GLU 21 1HB GLU 21 -6.566 20.724 -18.821 159 HB3 GLU 21 2HB GLU 21 -8.282 20.489 -19.122 160 HG2 GLU 21 1HG GLU 21 -7.097 21.511 -16.532 161 HG3 GLU 21 2HG GLU 21 -7.779 22.515 -17.810 162 H GLN 22 H GLN 22 -5.406 18.300 -19.123 163 HA GLN 22 HA GLN 22 -6.758 16.976 -21.280 164 HB2 GLN 22 1HB GLN 22 -4.433 17.868 -21.422 165 HB3 GLN 22 2HB GLN 22 -3.896 16.628 -20.300 166 HG2 GLN 22 1HG GLN 22 -3.342 15.981 -22.545 167 HG3 GLN 22 2HG GLN 22 -4.610 14.889 -21.918 168 HE21 GLN 22 1HE2 GLN 22 -6.548 15.376 -24.742 169 HE22 GLN 22 2HE2 GLN 22 -5.890 14.311 -23.543 170 H LEU 23 H LEU 23 -5.349 15.838 -18.228 171 HA LEU 23 HA LEU 23 -5.699 13.040 -18.829 172 HB2 LEU 23 1HB LEU 23 -5.332 14.544 -16.217 173 HB3 LEU 23 2HB LEU 23 -5.396 12.783 -16.329 174 HG LEU 23 HG LEU 23 -3.318 14.528 -17.698 175 HD11 LEU 23 1HD1 LEU 23 -1.799 13.683 -15.965 176 HD12 LEU 23 2HD1 LEU 23 -3.131 14.634 -15.266 177 HD13 LEU 23 3HD1 LEU 23 -3.161 12.856 -15.174 178 HD21 LEU 23 1HD2 LEU 23 -2.183 12.364 -18.065 179 HD22 LEU 23 2HD2 LEU 23 -3.551 11.517 -17.304 180 HD23 LEU 23 3HD2 LEU 23 -3.786 12.385 -18.840 181 H LYS 24 H LYS 24 -7.637 15.469 -17.101 182 HA LYS 24 HA LYS 24 -9.709 13.672 -16.275 183 HB2 LYS 24 1HB LYS 24 -9.684 16.666 -16.797 184 HB3 LYS 24 2HB LYS 24 -11.101 15.816 -16.195 185 HG2 LYS 24 1HG LYS 24 -9.683 15.022 -14.251 186 HG3 LYS 24 2HG LYS 24 -8.420 16.119 -14.825 187 HD2 LYS 24 1HD LYS 24 -11.257 16.966 -14.126 188 HD3 LYS 24 2HD LYS 24 -9.863 17.113 -13.044 189 HE2 LYS 24 1HE LYS 24 -8.736 18.562 -14.718 190 HE3 LYS 24 2HE LYS 24 -10.153 18.443 -15.764 191 HZ1 LYS 24 1HZ LYS 24 -10.182 20.442 -14.464 192 HZ2 LYS 24 2HZ LYS 24 -11.448 19.479 -14.029 193 HZ3 LYS 24 3HZ LYS 24 -10.123 19.591 -13.053 194 H SER 25 H SER 25 -9.187 15.552 -19.235 195 HA SER 25 HA SER 25 -11.692 14.842 -20.457 196 HB2 SER 25 1HB SER 25 -9.027 15.650 -21.663 197 HB3 SER 25 2HB SER 25 -10.519 15.485 -22.576 198 HG SER 25 HG SER 25 -9.866 17.283 -20.537 199 H ALA 26 H ALA 26 -8.448 13.389 -20.486 200 HA ALA 26 HA ALA 26 -8.983 11.388 -22.427 201 HB1 ALA 26 1HB ALA 26 -7.054 10.199 -21.436 202 HB2 ALA 26 2HB ALA 26 -6.713 11.930 -21.668 203 HB3 ALA 26 3HB ALA 26 -7.095 11.307 -20.046 204 H CYS 27 H CYS 27 -9.500 11.453 -18.919 205 HA CYS 27 HA CYS 27 -10.911 8.836 -19.171 206 HB2 CYS 27 1HB CYS 27 -9.797 10.268 -16.729 207 HB3 CYS 27 2HB CYS 27 -10.759 8.798 -16.657 208 HG CYS 27 HG CYS 27 -9.139 7.391 -18.170 209 H LYS 28 H LYS 28 -12.114 11.234 -20.127 210 HA LYS 28 HA LYS 28 -13.942 12.304 -18.176 211 HB2 LYS 28 1HB LYS 28 -15.044 13.354 -20.034 212 HB3 LYS 28 2HB LYS 28 -13.317 13.408 -20.356 213 HG2 LYS 28 1HG LYS 28 -13.559 11.443 -21.862 214 HG3 LYS 28 2HG LYS 28 -15.304 11.471 -21.576 215 HD2 LYS 28 1HD LYS 28 -15.441 13.746 -22.502 216 HD3 LYS 28 2HD LYS 28 -13.687 13.769 -22.740 217 HE2 LYS 28 1HE LYS 28 -14.649 13.230 -24.856 218 HE3 LYS 28 2HE LYS 28 -13.960 11.731 -24.228 219 HZ1 LYS 28 1HZ LYS 28 -16.143 11.389 -25.127 220 HZ2 LYS 28 2HZ LYS 28 -16.156 11.092 -23.504 221 HZ3 LYS 28 3HZ LYS 28 -16.800 12.492 -24.092 222 H GLU 29 H GLU 29 -13.813 9.333 -19.876 223 HA GLU 29 HA GLU 29 -16.715 8.853 -19.594 224 HB2 GLU 29 1HB GLU 29 -14.487 7.063 -20.646 225 HB3 GLU 29 2HB GLU 29 -16.199 6.668 -20.669 226 HG2 GLU 29 1HG GLU 29 -14.917 8.993 -22.121 227 HG3 GLU 29 2HG GLU 29 -15.363 7.448 -22.842 228 H ASP 30 H ASP 30 -13.977 8.636 -17.675 229 HA ASP 30 HA ASP 30 -15.058 6.326 -16.137 230 HB2 ASP 30 1HB ASP 30 -12.369 7.744 -15.957 231 HB3 ASP 30 2HB ASP 30 -12.862 6.390 -14.949 232 H ILE 31 H ILE 31 -14.228 9.754 -15.906 233 HA ILE 31 HA ILE 31 -15.458 9.777 -13.183 234 HB ILE 31 HB ILE 31 -13.371 11.662 -14.360 235 HG12 ILE 31 1HG1 ILE 31 -13.115 9.695 -12.075 236 HG13 ILE 31 2HG1 ILE 31 -12.582 9.371 -13.717 237 HG21 ILE 31 1HG2 ILE 31 -13.343 12.671 -12.114 238 HG22 ILE 31 2HG2 ILE 31 -14.947 12.828 -12.866 239 HG23 ILE 31 3HG2 ILE 31 -14.671 11.599 -11.611 240 HD11 ILE 31 1HD1 ILE 31 -10.726 10.083 -12.319 241 HD12 ILE 31 2HD1 ILE 31 -11.033 11.275 -13.605 242 HD13 ILE 31 3HD1 ILE 31 -11.571 11.602 -11.940 243 HA PRO 32 HA PRO 32 -18.770 11.926 -15.123 244 HB2 PRO 32 1HB PRO 32 -19.183 12.752 -12.223 245 HB3 PRO 32 2HB PRO 32 -20.372 12.159 -13.389 246 HG2 PRO 32 1HG PRO 32 -19.460 10.467 -11.548 247 HG3 PRO 32 2HG PRO 32 -19.632 9.903 -13.213 248 HD2 PRO 32 1HD PRO 32 -17.125 10.798 -11.738 249 HD3 PRO 32 2HD PRO 32 -17.346 9.405 -12.873 250 H SER 33 H SER 33 -19.214 14.071 -15.681 251 HA SER 33 HA SER 33 -17.018 15.871 -15.583 252 HB2 SER 33 1HB SER 33 -18.481 17.450 -16.675 253 HB3 SER 33 2HB SER 33 -18.784 15.849 -17.335 254 HG SER 33 HG SER 33 -20.367 17.490 -15.841 255 H GLU 34 H GLU 34 -19.866 15.530 -13.539 256 HA GLU 34 HA GLU 34 -19.517 17.978 -12.078 257 HB2 GLU 34 1HB GLU 34 -20.829 15.334 -11.337 258 HB3 GLU 34 2HB GLU 34 -20.868 16.755 -10.304 259 HG2 GLU 34 1HG GLU 34 -22.051 18.013 -12.037 260 HG3 GLU 34 2HG GLU 34 -21.969 16.625 -13.119 261 H LYS 35 H LYS 35 -18.085 14.771 -11.835 262 HA LYS 35 HA LYS 35 -16.798 15.427 -9.270 263 HB2 LYS 35 1HB LYS 35 -16.622 12.983 -11.076 264 HB3 LYS 35 2HB LYS 35 -15.772 13.142 -9.544 265 HG2 LYS 35 1HG LYS 35 -18.778 13.110 -9.937 266 HG3 LYS 35 2HG LYS 35 -17.779 11.819 -9.255 267 HD2 LYS 35 1HD LYS 35 -17.166 13.231 -7.360 268 HD3 LYS 35 2HD LYS 35 -18.032 14.605 -8.065 269 HE2 LYS 35 1HE LYS 35 -20.158 13.350 -7.902 270 HE3 LYS 35 2HE LYS 35 -19.297 11.977 -7.200 271 HZ1 LYS 35 1HZ LYS 35 -20.310 13.333 -5.520 272 HZ2 LYS 35 2HZ LYS 35 -18.670 13.384 -5.360 273 HZ3 LYS 35 3HZ LYS 35 -19.475 14.666 -6.014 274 H SER 36 H SER 36 -16.100 15.585 -12.655 275 HA SER 36 HA SER 36 -13.231 15.753 -12.417 276 HB2 SER 36 1HB SER 36 -13.256 16.492 -14.664 277 HB3 SER 36 2HB SER 36 -14.585 15.350 -14.534 278 HG SER 36 HG SER 36 -15.834 17.340 -14.000 279 H GLU 37 H GLU 37 -15.835 17.917 -11.707 280 HA GLU 37 HA GLU 37 -14.104 20.289 -11.659 281 HB2 GLU 37 1HB GLU 37 -16.961 19.821 -10.716 282 HB3 GLU 37 2HB GLU 37 -16.136 21.371 -10.627 283 HG2 GLU 37 1HG GLU 37 -15.904 21.406 -13.067 284 HG3 GLU 37 2HG GLU 37 -16.693 19.834 -13.173 285 H GLU 38 H GLU 38 -14.936 17.691 -9.566 286 HA GLU 38 HA GLU 38 -14.238 19.156 -7.117 287 HB2 GLU 38 1HB GLU 38 -14.832 16.216 -7.640 288 HB3 GLU 38 2HB GLU 38 -14.488 16.886 -6.051 289 HG2 GLU 38 1HG GLU 38 -16.467 18.360 -6.267 290 HG3 GLU 38 2HG GLU 38 -16.822 17.626 -7.828 291 H ILE 39 H ILE 39 -12.580 17.586 -9.624 292 HA ILE 39 HA ILE 39 -10.303 16.692 -8.055 293 HB ILE 39 HB ILE 39 -10.653 17.200 -11.037 294 HG12 ILE 39 1HG1 ILE 39 -10.447 14.598 -9.508 295 HG13 ILE 39 2HG1 ILE 39 -11.965 15.342 -9.983 296 HG21 ILE 39 1HG2 ILE 39 -8.521 15.998 -11.308 297 HG22 ILE 39 2HG2 ILE 39 -8.296 17.499 -10.380 298 HG23 ILE 39 3HG2 ILE 39 -8.330 15.931 -9.540 299 HD11 ILE 39 1HD1 ILE 39 -11.313 13.601 -11.550 300 HD12 ILE 39 2HD1 ILE 39 -11.314 15.192 -12.348 301 HD13 ILE 39 3HD1 ILE 39 -9.775 14.437 -11.867 302 H THR 40 H THR 40 -8.699 17.839 -7.257 303 HA THR 40 HA THR 40 -8.432 20.665 -8.183 304 HB THR 40 HB THR 40 -7.402 21.128 -5.984 305 HG1 THR 40 HG1 THR 40 -7.935 19.092 -4.514 306 HG21 THR 40 1HG2 THR 40 -9.404 20.800 -4.587 307 HG22 THR 40 2HG2 THR 40 -9.852 21.337 -6.224 308 HG23 THR 40 3HG2 THR 40 -10.040 19.629 -5.765 309 H THR 41 H THR 41 -6.815 17.612 -7.845 310 HA THR 41 HA THR 41 -4.524 18.662 -9.337 311 HB THR 41 HB THR 41 -3.921 19.141 -6.940 312 HG1 THR 41 HG1 THR 41 -2.089 18.846 -7.991 313 HG21 THR 41 1HG2 THR 41 -3.381 17.230 -5.482 314 HG22 THR 41 2HG2 THR 41 -5.107 17.234 -5.910 315 HG23 THR 41 3HG2 THR 41 -3.992 16.107 -6.719 316 H GLY 42 H GLY 42 -2.749 16.619 -9.053 317 HA2 GLY 42 1HA GLY 42 -3.954 14.702 -10.835 318 HA3 GLY 42 2HA GLY 42 -2.324 14.637 -10.191 319 H SER 43 H SER 43 -2.956 14.638 -7.412 320 HA SER 43 HA SER 43 -3.408 11.877 -6.933 321 HB2 SER 43 1HB SER 43 -3.663 14.279 -5.095 322 HB3 SER 43 2HB SER 43 -3.723 12.612 -4.544 323 HG SER 43 HG SER 43 -1.677 13.179 -4.360 324 H ALA 44 H ALA 44 -5.607 14.674 -6.744 325 HA ALA 44 HA ALA 44 -7.884 13.206 -5.845 326 HB1 ALA 44 1HB ALA 44 -9.189 15.130 -6.691 327 HB2 ALA 44 2HB ALA 44 -7.772 15.656 -5.752 328 HB3 ALA 44 3HB ALA 44 -7.740 15.734 -7.528 329 H TRP 45 H TRP 45 -6.728 14.030 -9.114 330 HA TRP 45 HA TRP 45 -8.825 12.860 -10.589 331 HB2 TRP 45 1HB TRP 45 -7.084 14.193 -11.660 332 HB3 TRP 45 2HB TRP 45 -5.850 13.026 -11.208 333 HD1 TRP 45 HD1 TRP 45 -9.165 12.940 -13.284 334 HE1 TRP 45 HE1 TRP 45 -8.774 11.447 -15.359 335 HE3 TRP 45 HE3 TRP 45 -4.329 11.519 -12.334 336 HZ2 TRP 45 HZ2 TRP 45 -6.679 9.888 -16.431 337 HZ3 TRP 45 HZ3 TRP 45 -3.189 10.024 -13.924 338 HH2 TRP 45 HH2 TRP 45 -4.339 9.219 -15.944 339 H PHE 46 H PHE 46 -5.864 11.373 -9.267 340 HA PHE 46 HA PHE 46 -6.419 8.743 -10.272 341 HB2 PHE 46 1HB PHE 46 -4.634 9.870 -8.116 342 HB3 PHE 46 2HB PHE 46 -4.863 8.132 -8.228 343 HD1 PHE 46 HD1 PHE 46 -2.755 10.683 -9.136 344 HD2 PHE 46 HD2 PHE 46 -4.715 7.288 -10.835 345 HE1 PHE 46 HE1 PHE 46 -1.029 10.573 -10.903 346 HE2 PHE 46 HE2 PHE 46 -2.990 7.174 -12.602 347 HZ PHE 46 HZ PHE 46 -1.147 8.818 -12.636 348 H SER 47 H SER 47 -7.317 10.463 -7.314 349 HA SER 47 HA SER 47 -8.069 8.121 -5.836 350 HB2 SER 47 1HB SER 47 -8.982 9.639 -4.232 351 HB3 SER 47 2HB SER 47 -7.525 10.383 -4.873 352 HG SER 47 HG SER 47 -9.194 11.260 -6.469 353 H PHE 48 H PHE 48 -9.773 10.221 -8.089 354 HA PHE 48 HA PHE 48 -12.391 9.101 -7.538 355 HB2 PHE 48 1HB PHE 48 -11.215 10.841 -9.707 356 HB3 PHE 48 2HB PHE 48 -12.803 10.125 -9.932 357 HD1 PHE 48 HD1 PHE 48 -11.053 12.898 -8.680 358 HD2 PHE 48 HD2 PHE 48 -14.476 10.459 -7.916 359 HE1 PHE 48 HE1 PHE 48 -12.065 14.733 -7.369 360 HE2 PHE 48 HE2 PHE 48 -15.493 12.293 -6.607 361 HZ PHE 48 HZ PHE 48 -14.285 14.430 -6.332 362 H LEU 49 H LEU 49 -9.842 8.507 -9.953 363 HA LEU 49 HA LEU 49 -11.179 6.498 -11.436 364 HB2 LEU 49 1HB LEU 49 -8.242 6.876 -10.770 365 HB3 LEU 49 2HB LEU 49 -8.834 5.656 -11.904 366 HG LEU 49 HG LEU 49 -9.235 8.651 -12.232 367 HD11 LEU 49 1HD1 LEU 49 -7.495 8.471 -13.955 368 HD12 LEU 49 2HD1 LEU 49 -6.872 8.047 -12.344 369 HD13 LEU 49 3HD1 LEU 49 -7.242 6.764 -13.521 370 HD21 LEU 49 1HD2 LEU 49 -9.894 7.999 -14.524 371 HD22 LEU 49 2HD2 LEU 49 -9.676 6.284 -14.099 372 HD23 LEU 49 3HD2 LEU 49 -10.954 7.239 -13.311 373 H GLU 50 H GLU 50 -9.316 6.313 -8.414 374 HA GLU 50 HA GLU 50 -9.508 3.491 -8.061 375 HB2 GLU 50 1HB GLU 50 -8.036 4.959 -6.704 376 HB3 GLU 50 2HB GLU 50 -9.449 5.696 -5.961 377 HG2 GLU 50 1HG GLU 50 -10.071 3.542 -4.968 378 HG3 GLU 50 2HG GLU 50 -8.681 2.778 -5.737 379 H SER 51 H SER 51 -11.669 6.146 -7.061 380 HA SER 51 HA SER 51 -13.452 4.435 -5.592 381 HB2 SER 51 1HB SER 51 -14.875 6.355 -5.431 382 HB3 SER 51 2HB SER 51 -13.216 6.915 -5.290 383 HG SER 51 HG SER 51 -13.676 6.939 -7.805 384 H HIS 52 H HIS 52 -13.084 5.166 -8.954 385 HA HIS 52 HA HIS 52 -15.779 4.065 -9.582 386 HB2 HIS 52 1HB HIS 52 -13.665 5.386 -11.321 387 HB3 HIS 52 2HB HIS 52 -15.156 4.691 -11.941 388 HD1 HIS 52 HD1 HIS 52 -17.368 5.732 -10.363 389 HD2 HIS 52 HD2 HIS 52 -13.986 8.173 -10.974 390 HE1 HIS 52 HE1 HIS 52 -18.138 8.034 -10.079 391 H ASN 53 H ASN 53 -13.020 2.729 -8.713 392 HA ASN 53 HA ASN 53 -12.087 0.652 -9.044 393 HB2 ASN 53 1HB ASN 53 -14.694 0.142 -10.517 394 HB3 ASN 53 2HB ASN 53 -13.533 -1.099 -10.064 395 HD21 ASN 53 1HD2 ASN 53 -16.368 -0.400 -7.542 396 HD22 ASN 53 2HD2 ASN 53 -16.397 -0.317 -9.271 397 H LYS 54 H LYS 54 -11.434 2.760 -10.862 398 HA LYS 54 HA LYS 54 -10.891 1.183 -13.338 399 HB2 LYS 54 1HB LYS 54 -10.716 4.191 -12.894 400 HB3 LYS 54 2HB LYS 54 -10.419 3.356 -14.413 401 HG2 LYS 54 1HG LYS 54 -13.068 3.429 -12.937 402 HG3 LYS 54 2HG LYS 54 -12.637 4.401 -14.351 403 HD2 LYS 54 1HD LYS 54 -12.297 2.309 -15.659 404 HD3 LYS 54 2HD LYS 54 -12.794 1.365 -14.246 405 HE2 LYS 54 1HE LYS 54 -15.001 2.477 -14.275 406 HE3 LYS 54 2HE LYS 54 -14.508 3.431 -15.678 407 HZ1 LYS 54 1HZ LYS 54 -15.793 1.525 -16.314 408 HZ2 LYS 54 2HZ LYS 54 -14.261 1.385 -16.907 409 HZ3 LYS 54 3HZ LYS 54 -14.722 0.495 -15.598 410 H LEU 55 H LEU 55 -9.433 2.979 -10.690 411 HA LEU 55 HA LEU 55 -6.733 2.610 -11.818 412 HB2 LEU 55 1HB LEU 55 -7.391 4.718 -10.647 413 HB3 LEU 55 2HB LEU 55 -7.598 3.793 -9.155 414 HG LEU 55 HG LEU 55 -5.159 3.189 -9.268 415 HD11 LEU 55 1HD1 LEU 55 -3.727 4.498 -10.771 416 HD12 LEU 55 2HD1 LEU 55 -4.860 3.467 -11.675 417 HD13 LEU 55 3HD1 LEU 55 -5.172 5.213 -11.525 418 HD21 LEU 55 1HD2 LEU 55 -4.402 5.426 -8.537 419 HD22 LEU 55 2HD2 LEU 55 -5.856 6.155 -9.260 420 HD23 LEU 55 3HD2 LEU 55 -6.009 5.046 -7.876 421 H ASP 56 H ASP 56 -6.407 0.402 -11.809 422 HA ASP 56 HA ASP 56 -6.734 -1.174 -9.394 423 HB2 ASP 56 1HB ASP 56 -6.759 -2.062 -11.786 424 HB3 ASP 56 2HB ASP 56 -5.017 -1.827 -11.817 425 H LYS 57 H LYS 57 -5.181 -1.971 -7.999 426 HA LYS 57 HA LYS 57 -3.160 -0.005 -7.367 427 HB2 LYS 57 1HB LYS 57 -3.823 -2.726 -6.182 428 HB3 LYS 57 2HB LYS 57 -2.560 -1.681 -5.544 429 HG2 LYS 57 1HG LYS 57 -4.231 0.071 -5.082 430 HG3 LYS 57 2HG LYS 57 -5.503 -0.974 -5.731 431 HD2 LYS 57 1HD LYS 57 -5.003 -2.666 -3.998 432 HD3 LYS 57 2HD LYS 57 -3.726 -1.625 -3.351 433 HE2 LYS 57 1HE LYS 57 -5.390 0.120 -2.840 434 HE3 LYS 57 2HE LYS 57 -6.672 -0.886 -3.521 435 HZ1 LYS 57 1HZ LYS 57 -6.581 -1.060 -1.144 436 HZ2 LYS 57 2HZ LYS 57 -6.213 -2.518 -1.823 437 HZ3 LYS 57 3HZ LYS 57 -5.016 -1.578 -1.186 438 H ASP 58 H ASP 58 -3.189 -2.973 -9.165 439 HA ASP 58 HA ASP 58 -0.203 -3.027 -9.117 440 HB2 ASP 58 1HB ASP 58 -2.201 -5.245 -9.718 441 HB3 ASP 58 2HB ASP 58 -0.457 -5.406 -9.882 442 H ASN 59 H ASN 59 -3.081 -3.097 -11.174 443 HA ASN 59 HA ASN 59 -1.329 -3.137 -13.580 444 HB2 ASN 59 1HB ASN 59 -3.144 -4.816 -13.454 445 HB3 ASN 59 2HB ASN 59 -4.330 -3.524 -13.333 446 HD21 ASN 59 1HD2 ASN 59 -4.094 -4.690 -16.852 447 HD22 ASN 59 2HD2 ASN 59 -4.406 -5.447 -15.327 448 H LEU 60 H LEU 60 -0.603 -1.124 -13.883 449 HA LEU 60 HA LEU 60 -2.669 1.017 -14.116 450 HB2 LEU 60 1HB LEU 60 0.336 1.233 -13.719 451 HB3 LEU 60 2HB LEU 60 -0.767 2.600 -13.900 452 HG LEU 60 HG LEU 60 -0.750 0.607 -11.606 453 HD11 LEU 60 1HD1 LEU 60 0.001 2.542 -10.295 454 HD12 LEU 60 2HD1 LEU 60 1.149 2.142 -11.594 455 HD13 LEU 60 3HD1 LEU 60 0.046 3.528 -11.774 456 HD21 LEU 60 1HD2 LEU 60 -2.450 2.110 -10.625 457 HD22 LEU 60 2HD2 LEU 60 -2.440 3.091 -12.110 458 HD23 LEU 60 3HD2 LEU 60 -3.022 1.410 -12.158 459 H SER 61 H SER 61 -1.932 -1.086 -16.113 460 HA SER 61 HA SER 61 -0.390 0.141 -18.200 461 HB2 SER 61 1HB SER 61 -1.226 -1.639 -19.604 462 HB3 SER 61 2HB SER 61 -0.838 -2.297 -18.022 463 HG SER 61 HG SER 61 -2.936 -2.366 -17.512 464 H TYR 62 H TYR 62 -3.807 0.226 -17.329 465 HA TYR 62 HA TYR 62 -4.739 1.603 -19.654 466 HB2 TYR 62 1HB TYR 62 -6.258 0.582 -17.995 467 HB3 TYR 62 2HB TYR 62 -5.729 1.733 -16.778 468 HD1 TYR 62 HD1 TYR 62 -7.308 1.563 -20.161 469 HD2 TYR 62 HD2 TYR 62 -6.852 3.746 -16.495 470 HE1 TYR 62 HE1 TYR 62 -9.076 3.135 -20.876 471 HE2 TYR 62 HE2 TYR 62 -8.619 5.317 -17.212 472 HH TYR 62 HH TYR 62 -10.442 5.478 -18.714 473 H ILE 63 H ILE 63 -3.491 2.808 -16.534 474 HA ILE 63 HA ILE 63 -3.778 5.572 -17.144 475 HB ILE 63 HB ILE 63 -1.804 4.147 -15.311 476 HG12 ILE 63 1HG1 ILE 63 -4.118 3.770 -14.699 477 HG13 ILE 63 2HG1 ILE 63 -3.335 4.826 -13.534 478 HG21 ILE 63 1HG2 ILE 63 -1.501 6.346 -14.246 479 HG22 ILE 63 2HG2 ILE 63 -0.970 6.379 -15.943 480 HG23 ILE 63 3HG2 ILE 63 -2.534 7.094 -15.488 481 HD11 ILE 63 1HD1 ILE 63 -5.591 5.587 -14.027 482 HD12 ILE 63 2HD1 ILE 63 -4.392 6.783 -14.576 483 HD13 ILE 63 3HD1 ILE 63 -5.188 5.714 -15.756 484 H GLU 64 H GLU 64 -1.177 3.259 -17.809 485 HA GLU 64 HA GLU 64 0.745 5.062 -18.831 486 HB2 GLU 64 1HB GLU 64 0.076 2.192 -19.576 487 HB3 GLU 64 2HB GLU 64 1.438 3.059 -20.273 488 HG2 GLU 64 1HG GLU 64 2.513 3.260 -18.152 489 HG3 GLU 64 2HG GLU 64 1.078 2.702 -17.296 490 H HIS 65 H HIS 65 -2.024 3.498 -20.433 491 HA HIS 65 HA HIS 65 -1.460 4.621 -23.039 492 HB2 HIS 65 1HB HIS 65 -3.976 3.442 -21.815 493 HB3 HIS 65 2HB HIS 65 -3.885 4.005 -23.477 494 HD1 HIS 65 HD1 HIS 65 -1.380 2.874 -24.585 495 HD2 HIS 65 HD2 HIS 65 -3.661 0.633 -21.840 496 HE1 HIS 65 HE1 HIS 65 -0.820 0.532 -24.996 497 H ILE 66 H ILE 66 -3.327 5.685 -20.237 498 HA ILE 66 HA ILE 66 -4.546 7.951 -21.485 499 HB ILE 66 HB ILE 66 -3.746 7.435 -18.591 500 HG12 ILE 66 1HG1 ILE 66 -5.419 5.898 -19.434 501 HG13 ILE 66 2HG1 ILE 66 -6.132 7.013 -18.277 502 HG21 ILE 66 1HG2 ILE 66 -5.232 9.315 -18.029 503 HG22 ILE 66 2HG2 ILE 66 -3.864 9.858 -19.027 504 HG23 ILE 66 3HG2 ILE 66 -5.471 9.650 -19.760 505 HD11 ILE 66 1HD1 ILE 66 -7.612 6.649 -20.170 506 HD12 ILE 66 2HD1 ILE 66 -7.069 8.344 -20.117 507 HD13 ILE 66 3HD1 ILE 66 -6.348 7.215 -21.289 508 H PHE 67 H PHE 67 -1.384 7.448 -19.970 509 HA PHE 67 HA PHE 67 -0.618 10.240 -20.154 510 HB2 PHE 67 1HB PHE 67 0.940 7.678 -19.671 511 HB3 PHE 67 2HB PHE 67 1.717 9.251 -19.756 512 HD1 PHE 67 HD1 PHE 67 -0.902 10.567 -18.434 513 HD2 PHE 67 HD2 PHE 67 1.800 7.429 -17.383 514 HE1 PHE 67 HE1 PHE 67 -1.397 10.944 -16.041 515 HE2 PHE 67 HE2 PHE 67 1.305 7.801 -14.990 516 HZ PHE 67 HZ PHE 67 -0.293 9.562 -14.319 517 H GLU 68 H GLU 68 -0.377 7.415 -22.240 518 HA GLU 68 HA GLU 68 1.304 8.589 -24.237 519 HB2 GLU 68 1HB GLU 68 -0.884 6.482 -24.378 520 HB3 GLU 68 2HB GLU 68 0.068 6.958 -25.777 521 HG2 GLU 68 1HG GLU 68 2.108 6.203 -24.722 522 HG3 GLU 68 2HG GLU 68 1.254 5.875 -23.215 523 H ILE 69 H ILE 69 -2.200 8.713 -23.657 524 HA ILE 69 HA ILE 69 -2.850 10.268 -25.966 525 HB ILE 69 HB ILE 69 -4.181 10.014 -23.241 526 HG12 ILE 69 1HG1 ILE 69 -5.048 8.960 -25.939 527 HG13 ILE 69 2HG1 ILE 69 -4.081 8.032 -24.803 528 HG21 ILE 69 1HG2 ILE 69 -6.126 11.133 -24.254 529 HG22 ILE 69 2HG2 ILE 69 -4.716 12.217 -24.210 530 HG23 ILE 69 3HG2 ILE 69 -5.188 11.431 -25.736 531 HD11 ILE 69 1HD1 ILE 69 -6.436 7.454 -24.628 532 HD12 ILE 69 2HD1 ILE 69 -5.864 8.211 -23.121 533 HD13 ILE 69 3HD1 ILE 69 -6.844 9.149 -24.273 534 H SER 70 H SER 70 -1.992 11.199 -22.629 535 HA SER 70 HA SER 70 -2.141 14.037 -23.208 536 HB2 SER 70 1HB SER 70 -1.283 14.343 -20.989 537 HB3 SER 70 2HB SER 70 -2.439 13.021 -20.937 538 HG SER 70 HG SER 70 0.117 12.273 -21.515 539 H ARG 71 H ARG 71 0.169 11.585 -23.806 540 HA ARG 71 HA ARG 71 2.245 11.664 -24.794 541 HB2 ARG 71 1HB ARG 71 1.509 14.563 -25.324 542 HB3 ARG 71 2HB ARG 71 2.862 13.712 -26.055 543 HG2 ARG 71 1HG ARG 71 1.270 12.135 -27.117 544 HG3 ARG 71 2HG ARG 71 -0.075 13.080 -26.431 545 HD2 ARG 71 1HD ARG 71 0.693 15.044 -27.630 546 HD3 ARG 71 2HD ARG 71 2.039 14.102 -28.313 547 HE ARG 71 HE ARG 71 -0.333 12.736 -28.918 548 HH11 ARG 71 1HH1 ARG 71 1.197 15.811 -29.657 549 HH12 ARG 71 2HH1 ARG 71 0.441 15.952 -31.228 550 HH21 ARG 71 1HH2 ARG 71 -1.308 12.931 -30.960 551 HH22 ARG 71 2HH2 ARG 71 -0.978 14.323 -31.967 552 H ARG 72 H ARG 72 2.486 11.644 -22.188 553 HA ARG 72 HA ARG 72 4.621 13.666 -21.661 554 HB2 ARG 72 1HB ARG 72 2.566 12.587 -19.704 555 HB3 ARG 72 2HB ARG 72 3.972 13.531 -19.241 556 HG2 ARG 72 1HG ARG 72 1.825 14.531 -21.126 557 HG3 ARG 72 2HG ARG 72 1.849 14.824 -19.370 558 HD2 ARG 72 1HD ARG 72 3.997 15.933 -19.584 559 HD3 ARG 72 2HD ARG 72 3.973 15.641 -21.339 560 HE ARG 72 HE ARG 72 2.361 17.570 -19.828 561 HH11 ARG 72 1HH1 ARG 72 3.013 15.979 -22.891 562 HH12 ARG 72 2HH1 ARG 72 2.192 17.195 -23.842 563 HH21 ARG 72 1HH2 ARG 72 1.297 19.144 -21.073 564 HH22 ARG 72 2HH2 ARG 72 1.219 18.987 -22.814 565 HA PRO 73 HA PRO 73 6.535 9.541 -21.572 566 HB2 PRO 73 1HB PRO 73 8.905 11.445 -21.689 567 HB3 PRO 73 2HB PRO 73 8.662 9.920 -22.550 568 HG2 PRO 73 1HG PRO 73 8.282 12.190 -23.883 569 HG3 PRO 73 2HG PRO 73 7.125 10.874 -24.097 570 HD2 PRO 73 1HD PRO 73 6.890 13.372 -22.375 571 HD3 PRO 73 2HD PRO 73 5.642 12.592 -23.428 572 H ASP 74 H ASP 74 7.222 12.520 -19.771 573 HA ASP 74 HA ASP 74 8.818 11.404 -17.698 574 HB2 ASP 74 1HB ASP 74 6.943 13.796 -17.749 575 HB3 ASP 74 2HB ASP 74 7.927 13.389 -16.350 576 H LEU 75 H LEU 75 5.290 12.011 -17.820 577 HA LEU 75 HA LEU 75 4.736 10.734 -15.317 578 HB2 LEU 75 1HB LEU 75 3.026 11.288 -17.761 579 HB3 LEU 75 2HB LEU 75 2.385 10.564 -16.283 580 HG LEU 75 HG LEU 75 3.695 13.302 -16.428 581 HD11 LEU 75 1HD1 LEU 75 1.405 14.164 -16.228 582 HD12 LEU 75 2HD1 LEU 75 1.627 13.229 -17.725 583 HD13 LEU 75 3HD1 LEU 75 0.771 12.506 -16.343 584 HD21 LEU 75 1HD2 LEU 75 2.711 13.551 -14.175 585 HD22 LEU 75 2HD2 LEU 75 2.095 11.883 -14.258 586 HD23 LEU 75 3HD2 LEU 75 3.850 12.183 -14.229 587 H LEU 76 H LEU 76 4.872 9.555 -18.660 588 HA LEU 76 HA LEU 76 3.816 6.959 -18.170 589 HB2 LEU 76 1HB LEU 76 4.122 7.927 -20.421 590 HB3 LEU 76 2HB LEU 76 5.875 7.853 -20.220 591 HG LEU 76 HG LEU 76 5.725 5.367 -20.098 592 HD11 LEU 76 1HD1 LEU 76 3.616 4.282 -20.735 593 HD12 LEU 76 2HD1 LEU 76 3.450 5.207 -19.224 594 HD13 LEU 76 3HD1 LEU 76 2.806 5.866 -20.746 595 HD21 LEU 76 1HD2 LEU 76 5.222 5.062 -22.499 596 HD22 LEU 76 2HD2 LEU 76 4.434 6.658 -22.537 597 HD23 LEU 76 3HD2 LEU 76 6.183 6.536 -22.228 598 H THR 77 H THR 77 7.178 8.166 -18.160 599 HA THR 77 HA THR 77 8.490 5.726 -17.717 600 HB THR 77 HB THR 77 9.224 8.466 -16.599 601 HG1 THR 77 HG1 THR 77 9.114 8.530 -18.837 602 HG21 THR 77 1HG2 THR 77 11.516 7.564 -16.539 603 HG22 THR 77 2HG2 THR 77 10.435 6.622 -15.487 604 HG23 THR 77 3HG2 THR 77 10.911 5.980 -17.075 605 H MET 78 H MET 78 7.016 7.938 -15.347 606 HA MET 78 HA MET 78 8.015 6.524 -13.055 607 HB2 MET 78 1HB MET 78 5.691 8.455 -13.393 608 HB3 MET 78 2HB MET 78 6.228 7.843 -11.835 609 HG2 MET 78 1HG MET 78 7.915 9.473 -13.757 610 HG3 MET 78 2HG MET 78 7.104 10.087 -12.313 611 HE1 MET 78 1HE MET 78 11.108 7.970 -12.578 612 HE2 MET 78 2HE MET 78 9.752 7.435 -13.599 613 HE3 MET 78 3HE MET 78 10.345 9.110 -13.712 614 H VAL 79 H VAL 79 4.907 6.423 -14.793 615 HA VAL 79 HA VAL 79 3.718 4.629 -12.849 616 HB VAL 79 HB VAL 79 2.499 6.302 -14.374 617 HG11 VAL 79 1HG1 VAL 79 1.848 5.490 -16.589 618 HG12 VAL 79 2HG1 VAL 79 3.606 5.729 -16.458 619 HG13 VAL 79 3HG1 VAL 79 2.923 4.087 -16.390 620 HG21 VAL 79 1HG2 VAL 79 0.530 4.820 -14.597 621 HG22 VAL 79 2HG2 VAL 79 1.570 3.401 -14.332 622 HG23 VAL 79 3HG2 VAL 79 1.336 4.588 -13.027 623 H VAL 80 H VAL 80 5.411 4.276 -15.920 624 HA VAL 80 HA VAL 80 4.916 1.467 -16.255 625 HB VAL 80 HB VAL 80 7.175 3.289 -17.167 626 HG11 VAL 80 1HG1 VAL 80 7.896 1.475 -18.643 627 HG12 VAL 80 2HG1 VAL 80 8.072 1.046 -16.924 628 HG13 VAL 80 3HG1 VAL 80 6.719 0.384 -17.874 629 HG21 VAL 80 1HG2 VAL 80 6.078 3.000 -19.366 630 HG22 VAL 80 2HG2 VAL 80 4.845 1.960 -18.613 631 HG23 VAL 80 3HG2 VAL 80 4.951 3.680 -18.169 632 H ASP 81 H ASP 81 7.506 3.308 -14.625 633 HA ASP 81 HA ASP 81 8.994 1.080 -13.686 634 HB2 ASP 81 1HB ASP 81 9.712 3.492 -13.580 635 HB3 ASP 81 2HB ASP 81 8.567 3.742 -12.269 636 H TYR 82 H TYR 82 6.168 2.755 -12.321 637 HA TYR 82 HA TYR 82 6.005 1.370 -9.868 638 HB2 TYR 82 1HB TYR 82 4.584 3.314 -10.476 639 HB3 TYR 82 2HB TYR 82 3.728 2.324 -11.651 640 HD1 TYR 82 HD1 TYR 82 3.649 3.588 -8.393 641 HD2 TYR 82 HD2 TYR 82 2.731 0.056 -10.649 642 HE1 TYR 82 HE1 TYR 82 2.056 2.882 -6.640 643 HE2 TYR 82 HE2 TYR 82 1.138 -0.650 -8.895 644 HH TYR 82 HH TYR 82 0.048 -0.017 -7.036 645 H ARG 83 H ARG 83 4.455 0.531 -12.985 646 HA ARG 83 HA ARG 83 3.325 -1.910 -11.990 647 HB2 ARG 83 1HB ARG 83 2.505 -0.706 -14.005 648 HB3 ARG 83 2HB ARG 83 3.985 -1.132 -14.853 649 HG2 ARG 83 1HG ARG 83 3.408 -3.395 -14.991 650 HG3 ARG 83 2HG ARG 83 2.191 -3.261 -13.697 651 HD2 ARG 83 1HD ARG 83 1.062 -3.431 -15.770 652 HD3 ARG 83 2HD ARG 83 0.892 -1.760 -15.187 653 HE ARG 83 HE ARG 83 2.162 -1.011 -16.962 654 HH11 ARG 83 1HH1 ARG 83 2.291 -4.517 -16.801 655 HH12 ARG 83 2HH1 ARG 83 3.039 -4.687 -18.373 656 HH21 ARG 83 1HH2 ARG 83 3.132 -1.243 -19.002 657 HH22 ARG 83 2HH2 ARG 83 3.515 -2.835 -19.620 658 H THR 84 H THR 84 6.339 -1.141 -13.708 659 HA THR 84 HA THR 84 7.227 -3.782 -14.184 660 HB THR 84 HB THR 84 8.872 -1.295 -13.542 661 HG1 THR 84 HG1 THR 84 7.629 -1.028 -15.402 662 HG21 THR 84 1HG2 THR 84 10.702 -2.483 -14.686 663 HG22 THR 84 2HG2 THR 84 10.169 -3.377 -13.242 664 HG23 THR 84 3HG2 THR 84 9.667 -3.919 -14.860 665 H ARG 85 H ARG 85 7.696 -1.691 -11.331 666 HA ARG 85 HA ARG 85 9.297 -3.527 -9.859 667 HB2 ARG 85 1HB ARG 85 7.440 -1.295 -8.997 668 HB3 ARG 85 2HB ARG 85 8.377 -2.235 -7.847 669 HG2 ARG 85 1HG ARG 85 10.456 -1.483 -8.849 670 HG3 ARG 85 2HG ARG 85 9.558 -0.619 -10.120 671 HD2 ARG 85 1HD ARG 85 8.501 0.759 -8.388 672 HD3 ARG 85 2HD ARG 85 9.497 -0.063 -7.164 673 HE ARG 85 HE ARG 85 10.369 1.911 -9.142 674 HH11 ARG 85 1HH1 ARG 85 11.281 -0.475 -6.729 675 HH12 ARG 85 2HH1 ARG 85 12.885 0.184 -6.503 676 HH21 ARG 85 1HH2 ARG 85 12.455 2.757 -8.838 677 HH22 ARG 85 2HH2 ARG 85 13.551 2.013 -7.695 678 H VAL 86 H VAL 86 5.774 -3.096 -10.083 679 HA VAL 86 HA VAL 86 5.055 -5.084 -8.171 680 HB VAL 86 HB VAL 86 3.644 -4.102 -10.684 681 HG11 VAL 86 1HG1 VAL 86 1.615 -5.124 -9.777 682 HG12 VAL 86 2HG1 VAL 86 2.860 -6.338 -10.154 683 HG13 VAL 86 3HG1 VAL 86 2.570 -5.854 -8.465 684 HG21 VAL 86 1HG2 VAL 86 2.275 -2.845 -9.051 685 HG22 VAL 86 2HG2 VAL 86 3.258 -3.506 -7.722 686 HG23 VAL 86 3HG2 VAL 86 3.996 -2.413 -8.917 687 H LEU 87 H LEU 87 5.756 -5.269 -11.657 688 HA LEU 87 HA LEU 87 5.022 -8.028 -11.935 689 HB2 LEU 87 1HB LEU 87 6.844 -6.232 -13.567 690 HB3 LEU 87 2HB LEU 87 6.424 -7.882 -14.038 691 HG LEU 87 HG LEU 87 4.417 -5.630 -13.665 692 HD11 LEU 87 1HD1 LEU 87 4.319 -5.614 -16.117 693 HD12 LEU 87 2HD1 LEU 87 5.939 -5.183 -15.522 694 HD13 LEU 87 3HD1 LEU 87 5.635 -6.809 -16.178 695 HD21 LEU 87 1HD2 LEU 87 2.895 -7.210 -14.804 696 HD22 LEU 87 2HD2 LEU 87 4.192 -8.429 -14.846 697 HD23 LEU 87 3HD2 LEU 87 3.518 -7.902 -13.285 698 H LYS 88 H LYS 88 7.939 -6.397 -10.882 699 HA LYS 88 HA LYS 88 9.698 -8.659 -11.082 700 HB2 LYS 88 1HB LYS 88 9.740 -6.159 -9.357 701 HB3 LYS 88 2HB LYS 88 11.008 -7.375 -9.290 702 HG2 LYS 88 1HG LYS 88 11.490 -7.013 -11.682 703 HG3 LYS 88 2HG LYS 88 10.214 -5.790 -11.750 704 HD2 LYS 88 1HD LYS 88 11.397 -4.420 -10.094 705 HD3 LYS 88 2HD LYS 88 12.648 -5.661 -9.931 706 HE2 LYS 88 1HE LYS 88 13.248 -5.372 -12.312 707 HE3 LYS 88 2HE LYS 88 11.999 -4.135 -12.480 708 HZ1 LYS 88 1HZ LYS 88 14.153 -3.172 -12.127 709 HZ2 LYS 88 2HZ LYS 88 13.168 -2.816 -10.852 710 HZ3 LYS 88 3HZ LYS 88 14.335 -3.971 -10.696 711 H ILE 89 H ILE 89 7.108 -7.892 -8.954 712 HA ILE 89 HA ILE 89 8.093 -9.822 -6.921 713 HB ILE 89 HB ILE 89 5.763 -7.859 -6.883 714 HG12 ILE 89 1HG1 ILE 89 8.296 -7.902 -5.230 715 HG13 ILE 89 2HG1 ILE 89 8.090 -6.941 -6.687 716 HG21 ILE 89 1HG2 ILE 89 5.472 -8.545 -4.537 717 HG22 ILE 89 2HG2 ILE 89 5.203 -9.914 -5.641 718 HG23 ILE 89 3HG2 ILE 89 6.731 -9.786 -4.739 719 HD11 ILE 89 1HD1 ILE 89 7.701 -5.606 -4.693 720 HD12 ILE 89 2HD1 ILE 89 6.207 -5.750 -5.651 721 HD13 ILE 89 3HD1 ILE 89 6.416 -6.723 -4.175 722 H SER 90 H SER 90 5.213 -9.149 -8.929 723 HA SER 90 HA SER 90 3.873 -11.581 -8.137 724 HB2 SER 90 1HB SER 90 2.613 -9.656 -8.924 725 HB3 SER 90 2HB SER 90 3.443 -9.691 -10.472 726 HG SER 90 HG SER 90 2.272 -12.041 -9.689 Start of MODEL 6 1 H1 MET 1 1H MET 1 -0.858 1.017 2.288 2 H2 MET 1 2H MET 1 0.386 1.918 2.844 3 H3 MET 1 3H MET 1 -0.911 2.645 2.171 4 HA MET 1 HA MET 1 0.993 0.910 0.816 5 HB2 MET 1 1HB MET 1 -1.470 2.381 -0.194 6 HB3 MET 1 2HB MET 1 -0.258 1.665 -1.245 7 HG2 MET 1 1HG MET 1 -0.748 -0.562 -0.240 8 HG3 MET 1 2HG MET 1 -2.023 0.186 0.726 9 HE1 MET 1 1HE MET 1 -4.721 1.160 -1.842 10 HE2 MET 1 2HE MET 1 -4.334 0.874 -0.127 11 HE3 MET 1 3HE MET 1 -3.523 2.186 -1.017 12 H ALA 2 H ALA 2 2.213 2.693 2.250 13 HA ALA 2 HA ALA 2 2.260 5.360 1.216 14 HB1 ALA 2 1HB ALA 2 4.358 5.589 2.507 15 HB2 ALA 2 2HB ALA 2 3.076 4.807 3.464 16 HB3 ALA 2 3HB ALA 2 4.383 3.827 2.759 17 H GLU 3 H GLU 3 4.035 2.427 0.393 18 HA GLU 3 HA GLU 3 6.035 3.717 -1.213 19 HB2 GLU 3 1HB GLU 3 4.957 0.874 -1.186 20 HB3 GLU 3 2HB GLU 3 6.290 1.386 -2.211 21 HG2 GLU 3 1HG GLU 3 6.292 1.626 0.803 22 HG3 GLU 3 2HG GLU 3 6.948 0.252 -0.083 23 H TYR 4 H TYR 4 2.826 2.385 -1.915 24 HA TYR 4 HA TYR 4 3.079 2.791 -4.782 25 HB2 TYR 4 1HB TYR 4 0.702 2.211 -2.975 26 HB3 TYR 4 2HB TYR 4 0.560 2.392 -4.719 27 HD1 TYR 4 HD1 TYR 4 0.490 0.014 -2.358 28 HD2 TYR 4 HD2 TYR 4 2.758 0.986 -5.868 29 HE1 TYR 4 HE1 TYR 4 1.061 -2.374 -2.652 30 HE2 TYR 4 HE2 TYR 4 3.329 -1.402 -6.161 31 HH TYR 4 HH TYR 4 3.090 -3.460 -5.377 32 H GLY 5 H GLY 5 1.657 4.592 -2.078 33 HA2 GLY 5 1HA GLY 5 0.484 6.695 -3.620 34 HA3 GLY 5 2HA GLY 5 0.974 6.804 -1.939 35 H THR 6 H THR 6 3.756 6.164 -2.334 36 HA THR 6 HA THR 6 4.827 8.726 -2.975 37 HB THR 6 HB THR 6 6.211 6.013 -2.843 38 HG1 THR 6 HG1 THR 6 5.332 6.589 -0.862 39 HG21 THR 6 1HG2 THR 6 8.274 7.325 -2.537 40 HG22 THR 6 2HG2 THR 6 7.532 7.667 -4.118 41 HG23 THR 6 3HG2 THR 6 7.359 8.830 -2.784 42 H LEU 7 H LEU 7 4.659 5.704 -4.858 43 HA LEU 7 HA LEU 7 6.060 6.669 -7.139 44 HB2 LEU 7 1HB LEU 7 3.904 4.554 -6.834 45 HB3 LEU 7 2HB LEU 7 4.759 4.855 -8.349 46 HG LEU 7 HG LEU 7 6.102 4.005 -5.760 47 HD11 LEU 7 1HD1 LEU 7 6.290 1.807 -6.834 48 HD12 LEU 7 2HD1 LEU 7 4.591 2.276 -6.590 49 HD13 LEU 7 3HD1 LEU 7 5.324 2.396 -8.208 50 HD21 LEU 7 1HD2 LEU 7 8.020 3.575 -7.259 51 HD22 LEU 7 2HD2 LEU 7 7.079 4.189 -8.640 52 HD23 LEU 7 3HD2 LEU 7 7.536 5.287 -7.315 53 H LEU 8 H LEU 8 2.611 6.756 -6.269 54 HA LEU 8 HA LEU 8 1.755 7.951 -8.741 55 HB2 LEU 8 1HB LEU 8 0.518 7.886 -5.969 56 HB3 LEU 8 2HB LEU 8 -0.288 8.572 -7.383 57 HG LEU 8 HG LEU 8 0.599 5.675 -7.161 58 HD11 LEU 8 1HD1 LEU 8 -1.779 5.195 -6.789 59 HD12 LEU 8 2HD1 LEU 8 -1.100 6.204 -5.489 60 HD13 LEU 8 3HD1 LEU 8 -2.124 6.939 -6.746 61 HD21 LEU 8 1HD2 LEU 8 -0.880 5.404 -9.122 62 HD22 LEU 8 2HD2 LEU 8 -1.214 7.151 -9.115 63 HD23 LEU 8 3HD2 LEU 8 0.428 6.561 -9.463 64 H GLN 9 H GLN 9 2.882 9.235 -5.646 65 HA GLN 9 HA GLN 9 2.312 11.992 -6.257 66 HB2 GLN 9 1HB GLN 9 2.735 11.144 -3.951 67 HB3 GLN 9 2HB GLN 9 4.406 10.814 -4.385 68 HG2 GLN 9 1HG GLN 9 4.280 12.871 -3.154 69 HG3 GLN 9 2HG GLN 9 4.739 13.227 -4.843 70 HE21 GLN 9 1HE2 GLN 9 2.272 15.640 -5.093 71 HE22 GLN 9 2HE2 GLN 9 3.900 15.127 -5.394 72 H ASP 10 H ASP 10 5.166 9.917 -6.697 73 HA ASP 10 HA ASP 10 6.903 11.952 -7.677 74 HB2 ASP 10 1HB ASP 10 6.809 8.948 -8.117 75 HB3 ASP 10 2HB ASP 10 8.062 9.960 -8.823 76 H LEU 11 H LEU 11 4.578 9.819 -9.326 77 HA LEU 11 HA LEU 11 5.042 10.809 -11.963 78 HB2 LEU 11 1HB LEU 11 3.727 8.787 -11.495 79 HB3 LEU 11 2HB LEU 11 2.495 9.757 -10.681 80 HG LEU 11 HG LEU 11 1.974 10.878 -12.833 81 HD11 LEU 11 1HD1 LEU 11 2.932 9.986 -14.908 82 HD12 LEU 11 2HD1 LEU 11 4.182 10.693 -13.859 83 HD13 LEU 11 3HD1 LEU 11 4.000 8.925 -13.960 84 HD21 LEU 11 1HD2 LEU 11 0.910 8.910 -13.883 85 HD22 LEU 11 2HD2 LEU 11 1.949 7.833 -12.920 86 HD23 LEU 11 3HD2 LEU 11 0.741 8.860 -12.112 87 H THR 12 H THR 12 2.730 11.823 -9.432 88 HA THR 12 HA THR 12 1.484 13.888 -10.907 89 HB THR 12 HB THR 12 2.000 13.732 -7.905 90 HG1 THR 12 HG1 THR 12 0.770 11.993 -8.583 91 HG21 THR 12 1HG2 THR 12 0.081 15.269 -7.727 92 HG22 THR 12 2HG2 THR 12 1.411 16.015 -8.645 93 HG23 THR 12 3HG2 THR 12 -0.008 15.370 -9.500 94 H ASN 13 H ASN 13 4.530 13.834 -9.135 95 HA ASN 13 HA ASN 13 4.872 16.669 -8.962 96 HB2 ASN 13 1HB ASN 13 6.832 14.360 -8.907 97 HB3 ASN 13 2HB ASN 13 7.337 16.033 -8.715 98 HD21 ASN 13 1HD2 ASN 13 6.742 14.442 -5.391 99 HD22 ASN 13 2HD2 ASN 13 7.687 14.025 -6.783 100 H ASN 14 H ASN 14 5.169 14.476 -11.596 101 HA ASN 14 HA ASN 14 6.765 16.467 -13.135 102 HB2 ASN 14 1HB ASN 14 6.142 13.541 -13.631 103 HB3 ASN 14 2HB ASN 14 6.925 14.577 -14.816 104 HD21 ASN 14 1HD2 ASN 14 8.996 12.982 -11.744 105 HD22 ASN 14 2HD2 ASN 14 7.307 12.688 -11.993 106 H ILE 15 H ILE 15 3.703 16.199 -12.414 107 HA ILE 15 HA ILE 15 2.760 16.619 -15.220 108 HB ILE 15 HB ILE 15 1.246 15.470 -12.837 109 HG12 ILE 15 1HG1 ILE 15 1.969 14.202 -15.488 110 HG13 ILE 15 2HG1 ILE 15 2.858 13.955 -13.994 111 HG21 ILE 15 1HG2 ILE 15 -0.637 15.231 -14.406 112 HG22 ILE 15 2HG2 ILE 15 -0.195 16.941 -14.193 113 HG23 ILE 15 3HG2 ILE 15 0.300 16.072 -15.664 114 HD11 ILE 15 1HD1 ILE 15 1.318 12.120 -14.411 115 HD12 ILE 15 2HD1 ILE 15 0.851 13.007 -12.940 116 HD13 ILE 15 3HD1 ILE 15 -0.050 13.256 -14.455 117 H THR 16 H THR 16 1.849 18.491 -15.719 118 HA THR 16 HA THR 16 1.754 20.552 -13.625 119 HB THR 16 HB THR 16 1.396 22.132 -15.457 120 HG1 THR 16 HG1 THR 16 1.423 19.976 -17.298 121 HG21 THR 16 1HG2 THR 16 3.424 21.697 -16.787 122 HG22 THR 16 2HG2 THR 16 3.705 21.346 -15.064 123 HG23 THR 16 3HG2 THR 16 3.444 20.013 -16.213 124 H LEU 17 H LEU 17 -0.098 22.140 -13.689 125 HA LEU 17 HA LEU 17 -2.480 20.770 -12.931 126 HB2 LEU 17 1HB LEU 17 -1.954 23.680 -13.618 127 HB3 LEU 17 2HB LEU 17 -3.494 23.090 -12.984 128 HG LEU 17 HG LEU 17 -0.832 22.883 -11.532 129 HD11 LEU 17 1HD1 LEU 17 -1.718 24.688 -10.124 130 HD12 LEU 17 2HD1 LEU 17 -1.530 25.205 -11.816 131 HD13 LEU 17 3HD1 LEU 17 -3.145 24.812 -11.180 132 HD21 LEU 17 1HD2 LEU 17 -2.271 22.295 -9.610 133 HD22 LEU 17 2HD2 LEU 17 -3.708 22.383 -10.658 134 HD23 LEU 17 3HD2 LEU 17 -2.475 21.131 -10.942 135 H GLU 18 H GLU 18 -1.514 22.396 -15.932 136 HA GLU 18 HA GLU 18 -4.037 22.152 -17.260 137 HB2 GLU 18 1HB GLU 18 -2.300 23.639 -18.113 138 HB3 GLU 18 2HB GLU 18 -1.198 22.291 -18.349 139 HG2 GLU 18 1HG GLU 18 -2.100 22.958 -20.465 140 HG3 GLU 18 2HG GLU 18 -2.716 21.358 -20.057 141 H ASP 19 H ASP 19 -1.204 20.007 -17.066 142 HA ASP 19 HA ASP 19 -2.202 18.019 -18.860 143 HB2 ASP 19 1HB ASP 19 -0.220 17.901 -16.561 144 HB3 ASP 19 2HB ASP 19 -0.600 16.498 -17.550 145 H LEU 20 H LEU 20 -2.550 18.483 -15.356 146 HA LEU 20 HA LEU 20 -3.867 16.022 -14.806 147 HB2 LEU 20 1HB LEU 20 -3.978 18.741 -13.469 148 HB3 LEU 20 2HB LEU 20 -4.830 17.329 -12.834 149 HG LEU 20 HG LEU 20 -1.820 17.492 -13.225 150 HD11 LEU 20 1HD1 LEU 20 -1.738 17.732 -10.784 151 HD12 LEU 20 2HD1 LEU 20 -2.594 19.091 -11.550 152 HD13 LEU 20 3HD1 LEU 20 -3.515 17.807 -10.732 153 HD21 LEU 20 1HD2 LEU 20 -1.839 15.452 -11.830 154 HD22 LEU 20 2HD2 LEU 20 -3.618 15.494 -11.792 155 HD23 LEU 20 3HD2 LEU 20 -2.768 15.211 -13.329 156 H GLU 21 H GLU 21 -5.098 19.188 -15.841 157 HA GLU 21 HA GLU 21 -7.877 18.481 -15.641 158 HB2 GLU 21 1HB GLU 21 -6.416 20.599 -17.264 159 HB3 GLU 21 2HB GLU 21 -8.167 20.447 -17.239 160 HG2 GLU 21 1HG GLU 21 -6.421 20.965 -14.822 161 HG3 GLU 21 2HG GLU 21 -7.329 22.183 -15.716 162 H GLN 22 H GLN 22 -5.466 18.224 -18.224 163 HA GLN 22 HA GLN 22 -7.334 17.367 -20.244 164 HB2 GLN 22 1HB GLN 22 -4.322 17.055 -19.973 165 HB3 GLN 22 2HB GLN 22 -5.221 16.503 -21.378 166 HG2 GLN 22 1HG GLN 22 -5.960 18.774 -21.846 167 HG3 GLN 22 2HG GLN 22 -5.121 19.357 -20.380 168 HE21 GLN 22 1HE2 GLN 22 -2.679 20.227 -22.824 169 HE22 GLN 22 2HE2 GLN 22 -4.092 20.804 -22.005 170 H LEU 23 H LEU 23 -5.202 15.638 -17.974 171 HA LEU 23 HA LEU 23 -5.877 13.008 -18.834 172 HB2 LEU 23 1HB LEU 23 -5.008 14.086 -16.133 173 HB3 LEU 23 2HB LEU 23 -5.187 12.365 -16.483 174 HG LEU 23 HG LEU 23 -3.270 14.230 -17.926 175 HD11 LEU 23 1HD1 LEU 23 -1.534 13.098 -16.609 176 HD12 LEU 23 2HD1 LEU 23 -2.681 13.976 -15.570 177 HD13 LEU 23 3HD1 LEU 23 -2.790 12.206 -15.720 178 HD21 LEU 23 1HD2 LEU 23 -2.326 12.110 -18.776 179 HD22 LEU 23 2HD2 LEU 23 -3.595 11.201 -17.917 180 HD23 LEU 23 3HD2 LEU 23 -4.031 12.290 -19.256 181 H LYS 24 H LYS 24 -7.358 15.171 -16.424 182 HA LYS 24 HA LYS 24 -9.409 13.366 -15.592 183 HB2 LYS 24 1HB LYS 24 -8.900 15.413 -14.344 184 HB3 LYS 24 2HB LYS 24 -9.372 16.407 -15.715 185 HG2 LYS 24 1HG LYS 24 -11.693 15.649 -15.503 186 HG3 LYS 24 2HG LYS 24 -11.235 14.582 -14.169 187 HD2 LYS 24 1HD LYS 24 -12.195 16.638 -13.282 188 HD3 LYS 24 2HD LYS 24 -10.476 16.560 -12.866 189 HE2 LYS 24 1HE LYS 24 -9.938 18.062 -14.742 190 HE3 LYS 24 2HE LYS 24 -11.641 18.118 -15.204 191 HZ1 LYS 24 1HZ LYS 24 -11.016 20.020 -13.906 192 HZ2 LYS 24 2HZ LYS 24 -12.124 19.123 -13.078 193 HZ3 LYS 24 3HZ LYS 24 -10.533 19.071 -12.647 194 H SER 25 H SER 25 -9.256 15.740 -18.238 195 HA SER 25 HA SER 25 -12.024 15.551 -18.931 196 HB2 SER 25 1HB SER 25 -11.440 16.772 -20.901 197 HB3 SER 25 2HB SER 25 -10.440 17.388 -19.595 198 HG SER 25 HG SER 25 -9.022 15.523 -20.472 199 H ALA 26 H ALA 26 -9.279 13.534 -19.620 200 HA ALA 26 HA ALA 26 -10.169 12.207 -21.941 201 HB1 ALA 26 1HB ALA 26 -8.779 10.313 -21.167 202 HB2 ALA 26 2HB ALA 26 -7.938 11.869 -20.975 203 HB3 ALA 26 3HB ALA 26 -8.659 11.067 -19.561 204 H CYS 27 H CYS 27 -11.252 11.952 -18.623 205 HA CYS 27 HA CYS 27 -13.277 9.956 -19.541 206 HB2 CYS 27 1HB CYS 27 -11.909 10.073 -16.824 207 HB3 CYS 27 2HB CYS 27 -13.239 9.001 -17.240 208 HG CYS 27 HG CYS 27 -10.211 9.152 -18.490 209 H LYS 28 H LYS 28 -13.551 12.798 -19.579 210 HA LYS 28 HA LYS 28 -14.784 13.809 -17.209 211 HB2 LYS 28 1HB LYS 28 -15.506 15.665 -18.573 212 HB3 LYS 28 2HB LYS 28 -13.884 15.213 -19.083 213 HG2 LYS 28 1HG LYS 28 -14.840 13.986 -21.010 214 HG3 LYS 28 2HG LYS 28 -16.462 14.482 -20.505 215 HD2 LYS 28 1HD LYS 28 -15.866 16.841 -20.785 216 HD3 LYS 28 2HD LYS 28 -14.201 16.397 -21.191 217 HE2 LYS 28 1HE LYS 28 -15.379 16.846 -23.247 218 HE3 LYS 28 2HE LYS 28 -15.081 15.107 -23.157 219 HZ1 LYS 28 1HZ LYS 28 -17.312 15.585 -23.854 220 HZ2 LYS 28 2HZ LYS 28 -17.338 14.819 -22.394 221 HZ3 LYS 28 3HZ LYS 28 -17.616 16.443 -22.479 222 H GLU 29 H GLU 29 -15.915 11.675 -19.662 223 HA GLU 29 HA GLU 29 -18.734 12.261 -19.372 224 HB2 GLU 29 1HB GLU 29 -17.287 9.810 -20.454 225 HB3 GLU 29 2HB GLU 29 -19.024 10.059 -20.551 226 HG2 GLU 29 1HG GLU 29 -16.900 11.795 -21.828 227 HG3 GLU 29 2HG GLU 29 -17.919 10.613 -22.645 228 H ASP 30 H ASP 30 -16.428 10.296 -17.645 229 HA ASP 30 HA ASP 30 -18.635 8.891 -16.228 230 HB2 ASP 30 1HB ASP 30 -15.640 8.351 -16.312 231 HB3 ASP 30 2HB ASP 30 -16.786 7.439 -15.340 232 H ILE 31 H ILE 31 -15.931 11.101 -15.765 233 HA ILE 31 HA ILE 31 -16.066 10.951 -12.856 234 HB ILE 31 HB ILE 31 -14.583 12.847 -14.725 235 HG12 ILE 31 1HG1 ILE 31 -13.529 10.563 -13.045 236 HG13 ILE 31 2HG1 ILE 31 -13.935 10.421 -14.749 237 HG21 ILE 31 1HG2 ILE 31 -13.315 13.514 -12.723 238 HG22 ILE 31 2HG2 ILE 31 -15.039 13.917 -12.552 239 HG23 ILE 31 3HG2 ILE 31 -14.370 12.498 -11.711 240 HD11 ILE 31 1HD1 ILE 31 -11.548 10.764 -14.443 241 HD12 ILE 31 2HD1 ILE 31 -12.274 12.143 -15.302 242 HD13 ILE 31 3HD1 ILE 31 -11.860 12.286 -13.577 243 HA PRO 32 HA PRO 32 -19.330 13.915 -12.661 244 HB2 PRO 32 1HB PRO 32 -19.731 13.822 -9.959 245 HB3 PRO 32 2HB PRO 32 -20.242 12.504 -11.020 246 HG2 PRO 32 1HG PRO 32 -17.702 12.737 -9.350 247 HG3 PRO 32 2HG PRO 32 -18.819 11.372 -9.455 248 HD2 PRO 32 1HD PRO 32 -16.516 11.459 -10.925 249 HD3 PRO 32 2HD PRO 32 -18.023 10.685 -11.560 250 H SER 33 H SER 33 -19.686 16.006 -11.492 251 HA SER 33 HA SER 33 -17.342 17.627 -11.637 252 HB2 SER 33 1HB SER 33 -18.760 19.431 -10.893 253 HB3 SER 33 2HB SER 33 -19.666 18.430 -12.017 254 HG SER 33 HG SER 33 -20.031 18.900 -9.366 255 H GLU 34 H GLU 34 -18.899 15.937 -8.988 256 HA GLU 34 HA GLU 34 -17.600 17.242 -6.820 257 HB2 GLU 34 1HB GLU 34 -19.464 15.645 -6.527 258 HB3 GLU 34 2HB GLU 34 -18.449 14.330 -7.103 259 HG2 GLU 34 1HG GLU 34 -16.957 14.622 -5.175 260 HG3 GLU 34 2HG GLU 34 -17.951 15.960 -4.602 261 H LYS 35 H LYS 35 -16.674 14.223 -8.520 262 HA LYS 35 HA LYS 35 -14.136 14.048 -7.168 263 HB2 LYS 35 1HB LYS 35 -15.237 12.721 -9.670 264 HB3 LYS 35 2HB LYS 35 -13.630 12.380 -9.042 265 HG2 LYS 35 1HG LYS 35 -14.632 11.613 -6.912 266 HG3 LYS 35 2HG LYS 35 -16.243 11.929 -7.570 267 HD2 LYS 35 1HD LYS 35 -15.808 10.314 -9.400 268 HD3 LYS 35 2HD LYS 35 -14.204 9.989 -8.724 269 HE2 LYS 35 1HE LYS 35 -15.204 9.131 -6.664 270 HE3 LYS 35 2HE LYS 35 -16.820 9.552 -7.237 271 HZ1 LYS 35 1HZ LYS 35 -16.343 7.239 -7.568 272 HZ2 LYS 35 2HZ LYS 35 -16.533 7.982 -9.028 273 HZ3 LYS 35 3HZ LYS 35 -15.024 7.587 -8.493 274 H SER 36 H SER 36 -15.227 15.563 -10.148 275 HA SER 36 HA SER 36 -12.769 16.115 -11.381 276 HB2 SER 36 1HB SER 36 -14.928 16.680 -12.379 277 HB3 SER 36 2HB SER 36 -15.228 17.878 -11.129 278 HG SER 36 HG SER 36 -14.429 18.825 -12.969 279 H GLU 37 H GLU 37 -14.419 17.938 -8.787 280 HA GLU 37 HA GLU 37 -12.318 19.889 -8.520 281 HB2 GLU 37 1HB GLU 37 -14.529 19.001 -6.628 282 HB3 GLU 37 2HB GLU 37 -13.432 20.329 -6.280 283 HG2 GLU 37 1HG GLU 37 -14.224 21.523 -8.274 284 HG3 GLU 37 2HG GLU 37 -15.310 20.187 -8.647 285 H GLU 38 H GLU 38 -12.922 16.714 -7.124 286 HA GLU 38 HA GLU 38 -11.033 16.958 -4.969 287 HB2 GLU 38 1HB GLU 38 -12.246 14.546 -6.369 288 HB3 GLU 38 2HB GLU 38 -11.168 14.410 -4.988 289 HG2 GLU 38 1HG GLU 38 -13.813 15.880 -4.997 290 HG3 GLU 38 2HG GLU 38 -13.548 14.249 -4.385 291 H ILE 39 H ILE 39 -10.780 16.012 -8.346 292 HA ILE 39 HA ILE 39 -8.177 14.821 -8.174 293 HB ILE 39 HB ILE 39 -9.655 16.122 -10.496 294 HG12 ILE 39 1HG1 ILE 39 -9.133 13.199 -9.929 295 HG13 ILE 39 2HG1 ILE 39 -10.595 14.035 -9.430 296 HG21 ILE 39 1HG2 ILE 39 -7.989 15.030 -11.943 297 HG22 ILE 39 2HG2 ILE 39 -7.221 16.224 -10.872 298 HG23 ILE 39 3HG2 ILE 39 -7.091 14.488 -10.506 299 HD11 ILE 39 1HD1 ILE 39 -10.942 12.825 -11.510 300 HD12 ILE 39 2HD1 ILE 39 -11.099 14.580 -11.773 301 HD13 ILE 39 3HD1 ILE 39 -9.618 13.731 -12.278 302 H THR 40 H THR 40 -6.865 16.136 -6.893 303 HA THR 40 HA THR 40 -5.860 18.521 -8.388 304 HB THR 40 HB THR 40 -4.868 19.288 -6.254 305 HG1 THR 40 HG1 THR 40 -6.229 17.044 -5.121 306 HG21 THR 40 1HG2 THR 40 -6.963 19.853 -5.089 307 HG22 THR 40 2HG2 THR 40 -7.149 20.025 -6.850 308 HG23 THR 40 3HG2 THR 40 -7.823 18.603 -6.017 309 H THR 41 H THR 41 -5.206 15.322 -7.389 310 HA THR 41 HA THR 41 -2.400 15.664 -8.352 311 HB THR 41 HB THR 41 -1.637 13.949 -6.787 312 HG1 THR 41 HG1 THR 41 -3.021 12.709 -5.765 313 HG21 THR 41 1HG2 THR 41 -1.965 15.146 -4.659 314 HG22 THR 41 2HG2 THR 41 -1.659 16.288 -5.989 315 HG23 THR 41 3HG2 THR 41 -3.313 16.059 -5.375 316 H GLY 42 H GLY 42 -1.436 13.521 -9.041 317 HA2 GLY 42 1HA GLY 42 -3.224 12.226 -10.944 318 HA3 GLY 42 2HA GLY 42 -1.534 11.848 -10.673 319 H SER 43 H SER 43 -2.133 11.639 -7.684 320 HA SER 43 HA SER 43 -2.782 8.818 -7.622 321 HB2 SER 43 1HB SER 43 -2.527 9.012 -5.231 322 HB3 SER 43 2HB SER 43 -1.250 9.936 -6.009 323 HG SER 43 HG SER 43 -3.180 10.732 -4.355 324 H ALA 44 H ALA 44 -4.531 11.819 -6.896 325 HA ALA 44 HA ALA 44 -6.942 10.546 -6.013 326 HB1 ALA 44 1HB ALA 44 -8.011 12.718 -6.525 327 HB2 ALA 44 2HB ALA 44 -6.495 12.926 -5.615 328 HB3 ALA 44 3HB ALA 44 -6.534 13.238 -7.367 329 H TRP 45 H TRP 45 -5.953 11.802 -9.212 330 HA TRP 45 HA TRP 45 -8.264 10.983 -10.626 331 HB2 TRP 45 1HB TRP 45 -6.514 12.481 -11.553 332 HB3 TRP 45 2HB TRP 45 -5.388 11.134 -11.613 333 HD1 TRP 45 HD1 TRP 45 -9.038 11.606 -12.948 334 HE1 TRP 45 HE1 TRP 45 -9.112 10.772 -15.394 335 HE3 TRP 45 HE3 TRP 45 -4.128 10.214 -13.452 336 HZ2 TRP 45 HZ2 TRP 45 -7.306 9.676 -17.269 337 HZ3 TRP 45 HZ3 TRP 45 -3.365 9.277 -15.598 338 HH2 TRP 45 HH2 TRP 45 -4.924 9.013 -17.482 339 H PHE 46 H PHE 46 -5.217 9.243 -9.977 340 HA PHE 46 HA PHE 46 -5.790 6.901 -11.445 341 HB2 PHE 46 1HB PHE 46 -3.581 7.230 -10.553 342 HB3 PHE 46 2HB PHE 46 -4.183 7.350 -8.907 343 HD1 PHE 46 HD1 PHE 46 -3.873 4.988 -11.767 344 HD2 PHE 46 HD2 PHE 46 -4.318 5.462 -7.545 345 HE1 PHE 46 HE1 PHE 46 -3.510 2.562 -11.458 346 HE2 PHE 46 HE2 PHE 46 -3.952 3.037 -7.231 347 HZ PHE 46 HZ PHE 46 -3.550 1.586 -9.189 348 H SER 47 H SER 47 -6.489 7.650 -8.016 349 HA SER 47 HA SER 47 -7.655 5.108 -7.437 350 HB2 SER 47 1HB SER 47 -8.425 6.118 -5.399 351 HB3 SER 47 2HB SER 47 -6.826 6.757 -5.748 352 HG SER 47 HG SER 47 -8.153 8.440 -6.912 353 H PHE 48 H PHE 48 -8.939 8.053 -8.848 354 HA PHE 48 HA PHE 48 -11.722 7.264 -8.557 355 HB2 PHE 48 1HB PHE 48 -10.333 9.381 -10.240 356 HB3 PHE 48 2HB PHE 48 -12.072 9.135 -10.260 357 HD1 PHE 48 HD1 PHE 48 -11.977 8.356 -7.151 358 HD2 PHE 48 HD2 PHE 48 -10.687 11.687 -9.493 359 HE1 PHE 48 HE1 PHE 48 -12.210 9.830 -5.180 360 HE2 PHE 48 HE2 PHE 48 -10.916 13.164 -7.524 361 HZ PHE 48 HZ PHE 48 -11.679 12.234 -5.367 362 H LEU 49 H LEU 49 -9.238 6.998 -11.069 363 HA LEU 49 HA LEU 49 -10.841 5.964 -13.154 364 HB2 LEU 49 1HB LEU 49 -7.974 5.391 -12.348 365 HB3 LEU 49 2HB LEU 49 -8.707 4.743 -13.819 366 HG LEU 49 HG LEU 49 -8.404 7.703 -13.198 367 HD11 LEU 49 1HD1 LEU 49 -6.604 7.637 -14.868 368 HD12 LEU 49 2HD1 LEU 49 -6.236 6.609 -13.463 369 HD13 LEU 49 3HD1 LEU 49 -6.781 5.871 -14.988 370 HD21 LEU 49 1HD2 LEU 49 -8.988 7.952 -15.587 371 HD22 LEU 49 2HD2 LEU 49 -9.199 6.189 -15.720 372 HD23 LEU 49 3HD2 LEU 49 -10.294 7.141 -14.689 373 H GLU 50 H GLU 50 -9.280 4.306 -10.411 374 HA GLU 50 HA GLU 50 -10.163 1.679 -11.030 375 HB2 GLU 50 1HB GLU 50 -8.501 2.235 -9.257 376 HB3 GLU 50 2HB GLU 50 -9.781 2.955 -8.290 377 HG2 GLU 50 1HG GLU 50 -10.903 0.780 -8.129 378 HG3 GLU 50 2HG GLU 50 -9.648 0.050 -9.129 379 H SER 51 H SER 51 -11.734 4.289 -9.176 380 HA SER 51 HA SER 51 -14.003 2.697 -8.414 381 HB2 SER 51 1HB SER 51 -14.946 4.736 -7.614 382 HB3 SER 51 2HB SER 51 -13.220 4.815 -7.296 383 HG SER 51 HG SER 51 -13.434 5.765 -9.643 384 H HIS 52 H HIS 52 -13.135 4.385 -11.312 385 HA HIS 52 HA HIS 52 -15.924 4.164 -12.349 386 HB2 HIS 52 1HB HIS 52 -13.458 5.579 -13.421 387 HB3 HIS 52 2HB HIS 52 -14.965 5.432 -14.316 388 HD1 HIS 52 HD1 HIS 52 -17.147 6.273 -12.613 389 HD2 HIS 52 HD2 HIS 52 -13.370 8.058 -12.063 390 HE1 HIS 52 HE1 HIS 52 -17.569 8.429 -11.543 391 H ASN 53 H ASN 53 -13.693 2.013 -11.910 392 HA ASN 53 HA ASN 53 -13.215 0.005 -12.928 393 HB2 ASN 53 1HB ASN 53 -15.656 0.733 -14.579 394 HB3 ASN 53 2HB ASN 53 -14.890 -0.849 -14.566 395 HD21 ASN 53 1HD2 ASN 53 -17.772 -0.316 -12.055 396 HD22 ASN 53 2HD2 ASN 53 -17.561 0.355 -13.637 397 H LYS 54 H LYS 54 -11.726 2.198 -13.795 398 HA LYS 54 HA LYS 54 -11.406 1.691 -16.709 399 HB2 LYS 54 1HB LYS 54 -10.084 3.796 -14.950 400 HB3 LYS 54 2HB LYS 54 -9.946 3.672 -16.698 401 HG2 LYS 54 1HG LYS 54 -12.496 4.254 -15.164 402 HG3 LYS 54 2HG LYS 54 -11.509 5.431 -16.041 403 HD2 LYS 54 1HD LYS 54 -11.911 4.152 -18.147 404 HD3 LYS 54 2HD LYS 54 -12.965 3.052 -17.250 405 HE2 LYS 54 1HE LYS 54 -14.411 4.985 -16.629 406 HE3 LYS 54 2HE LYS 54 -13.382 6.043 -17.597 407 HZ1 LYS 54 1HZ LYS 54 -15.310 5.337 -18.811 408 HZ2 LYS 54 2HZ LYS 54 -13.951 4.736 -19.528 409 HZ3 LYS 54 3HZ LYS 54 -14.913 3.747 -18.623 410 H LEU 55 H LEU 55 -9.897 1.184 -13.603 411 HA LEU 55 HA LEU 55 -7.951 -0.611 -14.857 412 HB2 LEU 55 1HB LEU 55 -6.005 0.493 -13.744 413 HB3 LEU 55 2HB LEU 55 -6.708 1.439 -15.059 414 HG LEU 55 HG LEU 55 -8.006 2.674 -13.155 415 HD11 LEU 55 1HD1 LEU 55 -6.793 2.709 -11.021 416 HD12 LEU 55 2HD1 LEU 55 -7.441 1.091 -11.385 417 HD13 LEU 55 3HD1 LEU 55 -5.709 1.430 -11.619 418 HD21 LEU 55 1HD2 LEU 55 -6.092 4.218 -12.901 419 HD22 LEU 55 2HD2 LEU 55 -4.996 2.961 -13.525 420 HD23 LEU 55 3HD2 LEU 55 -6.244 3.659 -14.585 421 H ASP 56 H ASP 56 -6.653 -1.789 -13.242 422 HA ASP 56 HA ASP 56 -8.359 -2.322 -10.876 423 HB2 ASP 56 1HB ASP 56 -6.092 -3.901 -12.152 424 HB3 ASP 56 2HB ASP 56 -6.918 -4.390 -10.679 425 H LYS 57 H LYS 57 -6.912 -3.278 -8.977 426 HA LYS 57 HA LYS 57 -5.652 -1.059 -7.761 427 HB2 LYS 57 1HB LYS 57 -6.559 -2.995 -6.509 428 HB3 LYS 57 2HB LYS 57 -5.287 -4.021 -7.155 429 HG2 LYS 57 1HG LYS 57 -3.587 -2.693 -5.986 430 HG3 LYS 57 2HG LYS 57 -4.842 -1.607 -5.374 431 HD2 LYS 57 1HD LYS 57 -5.906 -3.509 -4.193 432 HD3 LYS 57 2HD LYS 57 -4.640 -4.587 -4.797 433 HE2 LYS 57 1HE LYS 57 -4.081 -2.124 -3.112 434 HE3 LYS 57 2HE LYS 57 -4.296 -3.741 -2.438 435 HZ1 LYS 57 1HZ LYS 57 -1.991 -3.226 -2.778 436 HZ2 LYS 57 2HZ LYS 57 -2.432 -4.475 -3.760 437 HZ3 LYS 57 3HZ LYS 57 -2.231 -2.964 -4.389 438 H ASP 58 H ASP 58 -3.791 -0.103 -8.069 439 HA ASP 58 HA ASP 58 -1.586 0.253 -8.622 440 HB2 ASP 58 1HB ASP 58 -1.329 -2.751 -8.182 441 HB3 ASP 58 2HB ASP 58 0.013 -1.621 -8.305 442 H ASN 59 H ASN 59 -3.613 -0.493 -10.675 443 HA ASN 59 HA ASN 59 -1.805 -1.600 -12.766 444 HB2 ASN 59 1HB ASN 59 -4.057 -2.618 -12.523 445 HB3 ASN 59 2HB ASN 59 -4.791 -1.055 -12.857 446 HD21 ASN 59 1HD2 ASN 59 -4.724 -3.034 -15.979 447 HD22 ASN 59 2HD2 ASN 59 -5.392 -3.230 -14.392 448 H LEU 60 H LEU 60 -0.531 -0.096 -13.582 449 HA LEU 60 HA LEU 60 -1.632 2.640 -13.940 450 HB2 LEU 60 1HB LEU 60 1.229 1.620 -14.056 451 HB3 LEU 60 2HB LEU 60 0.735 3.309 -14.213 452 HG LEU 60 HG LEU 60 0.366 1.598 -11.728 453 HD11 LEU 60 1HD1 LEU 60 2.150 3.003 -10.798 454 HD12 LEU 60 2HD1 LEU 60 2.714 2.068 -12.203 455 HD13 LEU 60 3HD1 LEU 60 2.345 3.801 -12.376 456 HD21 LEU 60 1HD2 LEU 60 -0.242 3.754 -10.683 457 HD22 LEU 60 2HD2 LEU 60 -0.081 4.565 -12.260 458 HD23 LEU 60 3HD2 LEU 60 -1.358 3.349 -12.011 459 H SER 61 H SER 61 -1.536 -0.076 -15.703 460 HA SER 61 HA SER 61 -0.162 0.750 -18.094 461 HB2 SER 61 1HB SER 61 -1.077 -1.230 -19.087 462 HB3 SER 61 2HB SER 61 -0.640 -1.620 -17.431 463 HG SER 61 HG SER 61 -2.731 -1.483 -16.837 464 H TYR 62 H TYR 62 -3.468 1.069 -16.924 465 HA TYR 62 HA TYR 62 -4.640 1.996 -19.358 466 HB2 TYR 62 1HB TYR 62 -5.969 1.341 -17.378 467 HB3 TYR 62 2HB TYR 62 -5.321 2.703 -16.476 468 HD1 TYR 62 HD1 TYR 62 -7.517 1.713 -19.274 469 HD2 TYR 62 HD2 TYR 62 -6.149 4.925 -16.782 470 HE1 TYR 62 HE1 TYR 62 -9.359 3.138 -20.100 471 HE2 TYR 62 HE2 TYR 62 -7.991 6.351 -17.608 472 HH TYR 62 HH TYR 62 -10.287 5.160 -20.048 473 H ILE 63 H ILE 63 -3.063 3.752 -16.681 474 HA ILE 63 HA ILE 63 -3.401 6.359 -17.734 475 HB ILE 63 HB ILE 63 -1.239 5.171 -15.956 476 HG12 ILE 63 1HG1 ILE 63 -3.525 7.039 -15.302 477 HG13 ILE 63 2HG1 ILE 63 -3.604 5.293 -15.127 478 HG21 ILE 63 1HG2 ILE 63 -0.582 7.489 -15.449 479 HG22 ILE 63 2HG2 ILE 63 -0.315 7.109 -17.166 480 HG23 ILE 63 3HG2 ILE 63 -1.721 8.084 -16.680 481 HD11 ILE 63 1HD1 ILE 63 -3.107 6.365 -13.003 482 HD12 ILE 63 2HD1 ILE 63 -1.738 5.357 -13.529 483 HD13 ILE 63 3HD1 ILE 63 -1.661 7.126 -13.705 484 H GLU 64 H GLU 64 -0.880 3.925 -18.320 485 HA GLU 64 HA GLU 64 0.830 5.477 -19.944 486 HB2 GLU 64 1HB GLU 64 0.124 2.520 -20.053 487 HB3 GLU 64 2HB GLU 64 1.390 3.245 -21.035 488 HG2 GLU 64 1HG GLU 64 2.618 3.900 -19.040 489 HG3 GLU 64 2HG GLU 64 1.321 3.296 -18.010 490 H HIS 65 H HIS 65 -2.112 3.660 -20.790 491 HA HIS 65 HA HIS 65 -1.923 4.173 -23.626 492 HB2 HIS 65 1HB HIS 65 -4.235 3.363 -21.834 493 HB3 HIS 65 2HB HIS 65 -4.393 3.560 -23.573 494 HD1 HIS 65 HD1 HIS 65 -2.081 2.147 -24.768 495 HD2 HIS 65 HD2 HIS 65 -3.918 0.606 -21.303 496 HE1 HIS 65 HE1 HIS 65 -1.582 -0.245 -24.749 497 H ILE 66 H ILE 66 -3.396 5.886 -20.910 498 HA ILE 66 HA ILE 66 -4.701 7.889 -22.510 499 HB ILE 66 HB ILE 66 -3.690 7.962 -19.637 500 HG12 ILE 66 1HG1 ILE 66 -5.404 6.291 -19.999 501 HG13 ILE 66 2HG1 ILE 66 -6.039 7.630 -19.057 502 HG21 ILE 66 1HG2 ILE 66 -5.149 9.928 -19.377 503 HG22 ILE 66 2HG2 ILE 66 -3.866 10.237 -20.570 504 HG23 ILE 66 3HG2 ILE 66 -5.523 9.885 -21.117 505 HD11 ILE 66 1HD1 ILE 66 -7.654 6.877 -20.711 506 HD12 ILE 66 2HD1 ILE 66 -7.128 8.540 -21.063 507 HD13 ILE 66 3HD1 ILE 66 -6.485 7.182 -22.017 508 H PHE 67 H PHE 67 -1.445 7.561 -21.157 509 HA PHE 67 HA PHE 67 -0.556 10.184 -21.958 510 HB2 PHE 67 1HB PHE 67 0.867 7.608 -21.233 511 HB3 PHE 67 2HB PHE 67 1.759 9.015 -21.792 512 HD1 PHE 67 HD1 PHE 67 -0.348 10.962 -20.416 513 HD2 PHE 67 HD2 PHE 67 2.020 7.660 -19.094 514 HE1 PHE 67 HE1 PHE 67 -0.355 11.880 -18.121 515 HE2 PHE 67 HE2 PHE 67 2.013 8.574 -16.796 516 HZ PHE 67 HZ PHE 67 0.826 10.685 -16.311 517 H GLU 68 H GLU 68 -0.685 7.025 -23.540 518 HA GLU 68 HA GLU 68 0.727 7.756 -25.913 519 HB2 GLU 68 1HB GLU 68 -1.504 5.756 -25.400 520 HB3 GLU 68 2HB GLU 68 -0.723 5.929 -26.965 521 HG2 GLU 68 1HG GLU 68 1.410 5.278 -26.045 522 HG3 GLU 68 2HG GLU 68 0.756 5.283 -24.408 523 H ILE 69 H ILE 69 -2.675 8.112 -24.947 524 HA ILE 69 HA ILE 69 -3.519 9.233 -27.468 525 HB ILE 69 HB ILE 69 -4.733 9.320 -24.677 526 HG12 ILE 69 1HG1 ILE 69 -5.639 7.820 -27.139 527 HG13 ILE 69 2HG1 ILE 69 -4.574 7.129 -25.926 528 HG21 ILE 69 1HG2 ILE 69 -6.772 10.169 -25.764 529 HG22 ILE 69 2HG2 ILE 69 -5.424 11.315 -25.948 530 HG23 ILE 69 3HG2 ILE 69 -5.905 10.281 -27.314 531 HD11 ILE 69 1HD1 ILE 69 -6.882 6.463 -25.550 532 HD12 ILE 69 2HD1 ILE 69 -6.294 7.470 -24.204 533 HD13 ILE 69 3HD1 ILE 69 -7.373 8.169 -25.434 534 H SER 70 H SER 70 -2.464 10.628 -24.364 535 HA SER 70 HA SER 70 -3.018 13.341 -25.376 536 HB2 SER 70 1HB SER 70 -2.478 14.063 -23.112 537 HB3 SER 70 2HB SER 70 -3.634 12.741 -23.069 538 HG SER 70 HG SER 70 -2.093 11.373 -22.460 539 H ARG 71 H ARG 71 -0.577 11.235 -25.836 540 HA ARG 71 HA ARG 71 1.553 11.513 -26.662 541 HB2 ARG 71 1HB ARG 71 0.759 14.441 -26.803 542 HB3 ARG 71 2HB ARG 71 2.178 13.738 -27.562 543 HG2 ARG 71 1HG ARG 71 0.705 12.307 -28.950 544 HG3 ARG 71 2HG ARG 71 -0.709 13.104 -28.218 545 HD2 ARG 71 1HD ARG 71 0.070 15.247 -29.054 546 HD3 ARG 71 2HD ARG 71 1.479 14.448 -29.789 547 HE ARG 71 HE ARG 71 -0.816 13.143 -30.734 548 HH11 ARG 71 1HH1 ARG 71 0.675 16.318 -30.913 549 HH12 ARG 71 2HH1 ARG 71 0.009 16.680 -32.490 550 HH21 ARG 71 1HH2 ARG 71 -1.675 13.624 -32.781 551 HH22 ARG 71 2HH2 ARG 71 -1.321 15.156 -33.548 552 H ARG 72 H ARG 72 1.680 11.077 -24.107 553 HA ARG 72 HA ARG 72 3.789 12.988 -23.209 554 HB2 ARG 72 1HB ARG 72 1.676 11.666 -21.475 555 HB3 ARG 72 2HB ARG 72 3.068 12.543 -20.857 556 HG2 ARG 72 1HG ARG 72 0.975 13.790 -22.652 557 HG3 ARG 72 2HG ARG 72 0.929 13.830 -20.872 558 HD2 ARG 72 1HD ARG 72 3.113 14.933 -20.868 559 HD3 ARG 72 2HD ARG 72 3.086 14.948 -22.647 560 HE ARG 72 HE ARG 72 1.489 16.596 -20.824 561 HH11 ARG 72 1HH1 ARG 72 2.089 15.525 -24.115 562 HH12 ARG 72 2HH1 ARG 72 1.254 16.881 -24.842 563 HH21 ARG 72 1HH2 ARG 72 0.407 18.350 -21.778 564 HH22 ARG 72 2HH2 ARG 72 0.302 18.481 -23.520 565 HA PRO 73 HA PRO 73 5.120 8.571 -23.402 566 HB2 PRO 73 1HB PRO 73 7.375 8.953 -24.951 567 HB3 PRO 73 2HB PRO 73 5.765 8.710 -25.642 568 HG2 PRO 73 1HG PRO 73 7.240 11.323 -25.107 569 HG3 PRO 73 2HG PRO 73 6.399 10.824 -26.578 570 HD2 PRO 73 1HD PRO 73 5.183 12.443 -24.778 571 HD3 PRO 73 2HD PRO 73 4.250 11.158 -25.645 572 H ASP 74 H ASP 74 6.677 11.613 -22.639 573 HA ASP 74 HA ASP 74 8.952 10.564 -21.234 574 HB2 ASP 74 1HB ASP 74 7.426 13.182 -20.999 575 HB3 ASP 74 2HB ASP 74 8.862 12.828 -20.050 576 H LEU 75 H LEU 75 5.693 11.559 -20.156 577 HA LEU 75 HA LEU 75 6.108 10.744 -17.424 578 HB2 LEU 75 1HB LEU 75 3.595 11.182 -19.070 579 HB3 LEU 75 2HB LEU 75 3.578 10.802 -17.345 580 HG LEU 75 HG LEU 75 4.906 13.258 -18.544 581 HD11 LEU 75 1HD1 LEU 75 2.962 14.473 -17.665 582 HD12 LEU 75 2HD1 LEU 75 2.492 13.291 -18.909 583 HD13 LEU 75 3HD1 LEU 75 2.214 12.932 -17.189 584 HD21 LEU 75 1HD2 LEU 75 4.936 14.003 -16.187 585 HD22 LEU 75 2HD2 LEU 75 4.215 12.454 -15.687 586 HD23 LEU 75 3HD2 LEU 75 5.849 12.489 -16.391 587 H LEU 76 H LEU 76 4.758 9.152 -20.300 588 HA LEU 76 HA LEU 76 3.903 6.746 -19.118 589 HB2 LEU 76 1HB LEU 76 3.598 7.427 -21.513 590 HB3 LEU 76 2HB LEU 76 5.302 7.059 -21.798 591 HG LEU 76 HG LEU 76 3.468 4.927 -20.711 592 HD11 LEU 76 1HD1 LEU 76 2.946 4.274 -23.020 593 HD12 LEU 76 2HD1 LEU 76 2.297 5.885 -22.628 594 HD13 LEU 76 3HD1 LEU 76 3.768 5.734 -23.619 595 HD21 LEU 76 1HD2 LEU 76 5.068 3.491 -21.932 596 HD22 LEU 76 2HD2 LEU 76 5.922 4.939 -22.516 597 HD23 LEU 76 3HD2 LEU 76 5.911 4.554 -20.779 598 H THR 77 H THR 77 7.140 7.586 -20.390 599 HA THR 77 HA THR 77 8.451 5.178 -19.779 600 HB THR 77 HB THR 77 9.562 8.015 -19.625 601 HG1 THR 77 HG1 THR 77 8.837 7.607 -21.686 602 HG21 THR 77 1HG2 THR 77 11.746 6.932 -19.981 603 HG22 THR 77 2HG2 THR 77 10.998 6.371 -18.467 604 HG23 THR 77 3HG2 THR 77 10.970 5.333 -19.912 605 H MET 78 H MET 78 7.862 8.005 -17.693 606 HA MET 78 HA MET 78 9.298 7.021 -15.434 607 HB2 MET 78 1HB MET 78 6.941 8.933 -15.628 608 HB3 MET 78 2HB MET 78 7.840 8.636 -14.148 609 HG2 MET 78 1HG MET 78 8.982 9.787 -16.710 610 HG3 MET 78 2HG MET 78 8.564 10.694 -15.253 611 HE1 MET 78 1HE MET 78 12.383 8.398 -16.113 612 HE2 MET 78 2HE MET 78 10.813 7.736 -16.629 613 HE3 MET 78 3HE MET 78 11.343 9.331 -17.216 614 H VAL 79 H VAL 79 5.908 6.647 -16.432 615 HA VAL 79 HA VAL 79 5.004 5.287 -14.107 616 HB VAL 79 HB VAL 79 4.114 5.125 -17.014 617 HG11 VAL 79 1HG1 VAL 79 2.067 4.062 -16.196 618 HG12 VAL 79 2HG1 VAL 79 3.504 3.057 -15.899 619 HG13 VAL 79 3HG1 VAL 79 2.767 3.973 -14.563 620 HG21 VAL 79 1HG2 VAL 79 2.255 6.536 -16.190 621 HG22 VAL 79 2HG2 VAL 79 2.970 6.522 -14.560 622 HG23 VAL 79 3HG2 VAL 79 3.830 7.314 -15.903 623 H VAL 80 H VAL 80 6.456 4.068 -17.129 624 HA VAL 80 HA VAL 80 6.284 1.306 -16.583 625 HB VAL 80 HB VAL 80 8.419 2.905 -18.052 626 HG11 VAL 80 1HG1 VAL 80 9.106 0.790 -19.071 627 HG12 VAL 80 2HG1 VAL 80 9.373 0.799 -17.312 628 HG13 VAL 80 3HG1 VAL 80 7.991 -0.089 -17.999 629 HG21 VAL 80 1HG2 VAL 80 7.224 2.074 -20.053 630 HG22 VAL 80 2HG2 VAL 80 6.051 1.241 -19.004 631 HG23 VAL 80 3HG2 VAL 80 6.142 3.019 -19.003 632 H ASP 81 H ASP 81 8.832 3.651 -15.699 633 HA ASP 81 HA ASP 81 10.477 1.802 -14.282 634 HB2 ASP 81 1HB ASP 81 10.098 4.806 -14.029 635 HB3 ASP 81 2HB ASP 81 11.273 3.916 -13.070 636 H TYR 82 H TYR 82 7.688 3.755 -13.298 637 HA TYR 82 HA TYR 82 7.886 3.131 -10.497 638 HB2 TYR 82 1HB TYR 82 5.469 3.951 -12.160 639 HB3 TYR 82 2HB TYR 82 5.525 3.920 -10.403 640 HD1 TYR 82 HD1 TYR 82 8.553 4.925 -10.438 641 HD2 TYR 82 HD2 TYR 82 4.866 6.312 -12.140 642 HE1 TYR 82 HE1 TYR 82 9.417 7.241 -10.426 643 HE2 TYR 82 HE2 TYR 82 5.731 8.627 -12.129 644 HH TYR 82 HH TYR 82 8.986 9.369 -10.897 645 H ARG 83 H ARG 83 6.276 1.582 -13.238 646 HA ARG 83 HA ARG 83 4.802 -0.328 -11.693 647 HB2 ARG 83 1HB ARG 83 5.788 -0.327 -14.558 648 HB3 ARG 83 2HB ARG 83 4.844 -1.647 -13.885 649 HG2 ARG 83 1HG ARG 83 2.970 -0.157 -13.468 650 HG3 ARG 83 2HG ARG 83 3.928 1.237 -14.027 651 HD2 ARG 83 1HD ARG 83 2.463 0.513 -15.768 652 HD3 ARG 83 2HD ARG 83 4.145 0.151 -16.221 653 HE ARG 83 HE ARG 83 2.772 -2.051 -14.924 654 HH11 ARG 83 1HH1 ARG 83 3.427 -0.439 -17.976 655 HH12 ARG 83 2HH1 ARG 83 3.122 -1.867 -18.940 656 HH21 ARG 83 1HH2 ARG 83 2.378 -3.898 -16.185 657 HH22 ARG 83 2HH2 ARG 83 2.528 -3.825 -17.927 658 H THR 84 H THR 84 8.083 -0.298 -13.035 659 HA THR 84 HA THR 84 8.817 -2.955 -12.355 660 HB THR 84 HB THR 84 10.512 -0.421 -12.368 661 HG1 THR 84 HG1 THR 84 9.722 -0.833 -14.407 662 HG21 THR 84 1HG2 THR 84 12.422 -1.962 -12.593 663 HG22 THR 84 2HG2 THR 84 11.563 -2.233 -11.058 664 HG23 THR 84 3HG2 THR 84 11.325 -3.352 -12.420 665 H ARG 85 H ARG 85 8.882 0.044 -10.430 666 HA ARG 85 HA ARG 85 9.923 -1.153 -8.052 667 HB2 ARG 85 1HB ARG 85 9.875 1.270 -8.362 668 HB3 ARG 85 2HB ARG 85 8.119 1.262 -8.428 669 HG2 ARG 85 1HG ARG 85 8.855 2.050 -6.275 670 HG3 ARG 85 2HG ARG 85 8.053 0.472 -6.077 671 HD2 ARG 85 1HD ARG 85 10.194 -0.626 -5.955 672 HD3 ARG 85 2HD ARG 85 11.025 0.923 -6.228 673 HE ARG 85 HE ARG 85 9.359 1.278 -4.014 674 HH11 ARG 85 1HH1 ARG 85 12.121 -0.699 -4.908 675 HH12 ARG 85 2HH1 ARG 85 12.728 -0.813 -3.271 676 HH21 ARG 85 1HH2 ARG 85 10.157 1.122 -1.894 677 HH22 ARG 85 2HH2 ARG 85 11.617 0.217 -1.564 678 H VAL 86 H VAL 86 6.601 -0.662 -9.242 679 HA VAL 86 HA VAL 86 5.174 -1.637 -7.032 680 HB VAL 86 HB VAL 86 4.649 -1.918 -10.016 681 HG11 VAL 86 1HG1 VAL 86 2.343 -2.497 -9.438 682 HG12 VAL 86 2HG1 VAL 86 3.499 -3.722 -8.868 683 HG13 VAL 86 3HG1 VAL 86 2.791 -2.562 -7.718 684 HG21 VAL 86 1HG2 VAL 86 3.017 -0.112 -9.569 685 HG22 VAL 86 2HG2 VAL 86 3.495 -0.107 -7.855 686 HG23 VAL 86 3HG2 VAL 86 4.663 0.379 -9.106 687 H LEU 87 H LEU 87 6.680 -3.447 -9.715 688 HA LEU 87 HA LEU 87 5.858 -6.035 -8.816 689 HB2 LEU 87 1HB LEU 87 8.217 -5.133 -10.503 690 HB3 LEU 87 2HB LEU 87 7.797 -6.828 -10.232 691 HG LEU 87 HG LEU 87 5.977 -4.796 -11.572 692 HD11 LEU 87 1HD1 LEU 87 6.581 -5.957 -13.648 693 HD12 LEU 87 2HD1 LEU 87 7.997 -5.196 -12.885 694 HD13 LEU 87 3HD1 LEU 87 7.750 -6.954 -12.751 695 HD21 LEU 87 1HD2 LEU 87 4.709 -6.817 -12.216 696 HD22 LEU 87 2HD2 LEU 87 5.851 -7.828 -11.298 697 HD23 LEU 87 3HD2 LEU 87 4.811 -6.662 -10.445 698 H LYS 88 H LYS 88 8.647 -3.990 -8.066 699 HA LYS 88 HA LYS 88 10.044 -5.996 -6.535 700 HB2 LYS 88 1HB LYS 88 10.208 -2.960 -6.589 701 HB3 LYS 88 2HB LYS 88 11.246 -3.955 -5.576 702 HG2 LYS 88 1HG LYS 88 12.151 -5.071 -7.575 703 HG3 LYS 88 2HG LYS 88 11.092 -4.094 -8.602 704 HD2 LYS 88 1HD LYS 88 12.181 -2.036 -7.791 705 HD3 LYS 88 2HD LYS 88 13.222 -2.995 -6.727 706 HE2 LYS 88 1HE LYS 88 14.186 -4.137 -8.696 707 HE3 LYS 88 2HE LYS 88 13.143 -3.193 -9.762 708 HZ1 LYS 88 1HZ LYS 88 15.331 -2.254 -9.608 709 HZ2 LYS 88 2HZ LYS 88 14.230 -1.206 -8.967 710 HZ3 LYS 88 3HZ LYS 88 15.205 -2.089 -7.973 711 H ILE 89 H ILE 89 7.572 -3.596 -5.790 712 HA ILE 89 HA ILE 89 7.791 -3.834 -2.930 713 HB ILE 89 HB ILE 89 5.546 -2.854 -4.735 714 HG12 ILE 89 1HG1 ILE 89 7.361 -1.282 -2.902 715 HG13 ILE 89 2HG1 ILE 89 7.744 -1.592 -4.588 716 HG21 ILE 89 1HG2 ILE 89 4.517 -1.940 -2.694 717 HG22 ILE 89 2HG2 ILE 89 4.600 -3.715 -2.628 718 HG23 ILE 89 3HG2 ILE 89 5.763 -2.735 -1.704 719 HD11 ILE 89 1HD1 ILE 89 6.725 0.598 -4.308 720 HD12 ILE 89 2HD1 ILE 89 5.675 -0.462 -5.280 721 HD13 ILE 89 3HD1 ILE 89 5.287 -0.147 -3.572 722 H SER 90 H SER 90 5.505 -5.236 -5.299 723 HA SER 90 HA SER 90 4.907 -7.345 -3.267 724 HB2 SER 90 1HB SER 90 2.989 -6.004 -5.200 725 HB3 SER 90 2HB SER 90 2.598 -7.406 -4.216 726 HG SER 90 HG SER 90 2.728 -4.803 -3.568 Start of MODEL 7 1 H1 MET 1 1H MET 1 0.421 -1.597 1.317 2 H2 MET 1 2H MET 1 1.757 -0.810 1.827 3 H3 MET 1 3H MET 1 0.307 -0.060 1.858 4 HA MET 1 HA MET 1 1.757 -0.918 -0.516 5 HB2 MET 1 1HB MET 1 -0.887 0.560 -0.229 6 HB3 MET 1 2HB MET 1 -0.043 0.287 -1.746 7 HG2 MET 1 1HG MET 1 -1.155 -1.874 0.066 8 HG3 MET 1 2HG MET 1 -1.894 -1.286 -1.426 9 HE1 MET 1 1HE MET 1 0.429 -2.593 -4.212 10 HE2 MET 1 2HE MET 1 -1.163 -1.905 -3.804 11 HE3 MET 1 3HE MET 1 0.318 -0.958 -3.516 12 H ALA 2 H ALA 2 2.988 0.523 1.542 13 HA ALA 2 HA ALA 2 2.715 3.351 1.231 14 HB1 ALA 2 1HB ALA 2 4.872 3.470 2.435 15 HB2 ALA 2 2HB ALA 2 3.743 2.337 3.215 16 HB3 ALA 2 3HB ALA 2 5.082 1.717 2.219 17 H GLU 3 H GLU 3 4.818 0.956 -0.322 18 HA GLU 3 HA GLU 3 6.432 2.846 -1.746 19 HB2 GLU 3 1HB GLU 3 5.737 -0.063 -2.303 20 HB3 GLU 3 2HB GLU 3 6.884 0.855 -3.268 21 HG2 GLU 3 1HG GLU 3 8.290 1.208 -1.286 22 HG3 GLU 3 2HG GLU 3 7.133 0.315 -0.301 23 H TYR 4 H TYR 4 3.364 1.233 -2.498 24 HA TYR 4 HA TYR 4 3.113 2.207 -5.170 25 HB2 TYR 4 1HB TYR 4 1.675 0.422 -4.320 26 HB3 TYR 4 2HB TYR 4 0.997 1.493 -3.103 27 HD1 TYR 4 HD1 TYR 4 1.562 1.652 -6.815 28 HD2 TYR 4 HD2 TYR 4 -1.152 2.156 -3.529 29 HE1 TYR 4 HE1 TYR 4 -0.221 2.315 -8.390 30 HE2 TYR 4 HE2 TYR 4 -2.935 2.820 -5.106 31 HH TYR 4 HH TYR 4 -3.535 2.890 -7.283 32 H GLY 5 H GLY 5 1.968 3.549 -2.064 33 HA2 GLY 5 1HA GLY 5 0.785 5.917 -3.047 34 HA3 GLY 5 2HA GLY 5 1.520 5.743 -1.465 35 H THR 6 H THR 6 4.184 5.207 -2.205 36 HA THR 6 HA THR 6 5.231 7.801 -2.704 37 HB THR 6 HB THR 6 6.561 5.078 -3.041 38 HG1 THR 6 HG1 THR 6 5.823 5.554 -0.913 39 HG21 THR 6 1HG2 THR 6 8.674 6.328 -2.826 40 HG22 THR 6 2HG2 THR 6 7.765 6.856 -4.263 41 HG23 THR 6 3HG2 THR 6 7.769 7.859 -2.793 42 H LEU 7 H LEU 7 4.741 5.021 -4.877 43 HA LEU 7 HA LEU 7 5.888 6.230 -7.192 44 HB2 LEU 7 1HB LEU 7 3.737 4.112 -6.875 45 HB3 LEU 7 2HB LEU 7 4.432 4.572 -8.433 46 HG LEU 7 HG LEU 7 6.005 3.402 -6.111 47 HD11 LEU 7 1HD1 LEU 7 6.056 1.362 -7.476 48 HD12 LEU 7 2HD1 LEU 7 4.394 1.806 -7.019 49 HD13 LEU 7 3HD1 LEU 7 4.982 2.132 -8.667 50 HD21 LEU 7 1HD2 LEU 7 7.773 3.160 -7.822 51 HD22 LEU 7 2HD2 LEU 7 6.722 3.957 -9.019 52 HD23 LEU 7 3HD2 LEU 7 7.315 4.867 -7.610 53 H LEU 8 H LEU 8 2.641 6.358 -5.792 54 HA LEU 8 HA LEU 8 1.382 7.684 -7.991 55 HB2 LEU 8 1HB LEU 8 0.762 7.685 -5.019 56 HB3 LEU 8 2HB LEU 8 -0.286 8.405 -6.245 57 HG LEU 8 HG LEU 8 0.439 5.461 -6.029 58 HD11 LEU 8 1HD1 LEU 8 -1.921 5.202 -5.408 59 HD12 LEU 8 2HD1 LEU 8 -1.046 6.233 -4.252 60 HD13 LEU 8 3HD1 LEU 8 -2.129 6.969 -5.459 61 HD21 LEU 8 1HD2 LEU 8 -1.237 5.187 -7.823 62 HD22 LEU 8 2HD2 LEU 8 -1.436 6.954 -7.909 63 HD23 LEU 8 3HD2 LEU 8 0.116 6.210 -8.363 64 H GLN 9 H GLN 9 3.195 8.855 -5.184 65 HA GLN 9 HA GLN 9 2.699 11.645 -5.643 66 HB2 GLN 9 1HB GLN 9 4.967 10.187 -4.236 67 HB3 GLN 9 2HB GLN 9 4.820 11.938 -4.268 68 HG2 GLN 9 1HG GLN 9 2.696 11.827 -3.098 69 HG3 GLN 9 2HG GLN 9 2.751 10.042 -3.136 70 HE21 GLN 9 1HE2 GLN 9 3.906 11.263 0.196 71 HE22 GLN 9 2HE2 GLN 9 2.469 11.462 -0.752 72 H ASP 10 H ASP 10 5.300 9.444 -6.690 73 HA ASP 10 HA ASP 10 6.805 11.390 -8.129 74 HB2 ASP 10 1HB ASP 10 6.504 8.385 -8.468 75 HB3 ASP 10 2HB ASP 10 7.598 9.344 -9.455 76 H LEU 11 H LEU 11 4.089 9.303 -9.092 77 HA LEU 11 HA LEU 11 3.994 10.139 -11.820 78 HB2 LEU 11 1HB LEU 11 1.867 9.110 -9.919 79 HB3 LEU 11 2HB LEU 11 1.546 9.452 -11.622 80 HG LEU 11 HG LEU 11 3.661 7.479 -10.708 81 HD11 LEU 11 1HD1 LEU 11 2.000 5.733 -11.177 82 HD12 LEU 11 2HD1 LEU 11 1.484 6.790 -9.843 83 HD13 LEU 11 3HD1 LEU 11 0.767 6.984 -11.460 84 HD21 LEU 11 1HD2 LEU 11 3.412 6.670 -13.030 85 HD22 LEU 11 2HD2 LEU 11 2.198 7.934 -13.340 86 HD23 LEU 11 3HD2 LEU 11 3.884 8.386 -12.997 87 H THR 12 H THR 12 2.387 11.384 -8.888 88 HA THR 12 HA THR 12 0.754 13.309 -10.159 89 HB THR 12 HB THR 12 2.045 13.430 -7.398 90 HG1 THR 12 HG1 THR 12 0.711 11.620 -7.646 91 HG21 THR 12 1HG2 THR 12 0.204 14.976 -6.858 92 HG22 THR 12 2HG2 THR 12 1.227 15.634 -8.158 93 HG23 THR 12 3HG2 THR 12 -0.351 14.912 -8.546 94 H ASN 13 H ASN 13 4.142 13.464 -9.148 95 HA ASN 13 HA ASN 13 4.422 16.299 -9.505 96 HB2 ASN 13 1HB ASN 13 6.421 14.023 -9.455 97 HB3 ASN 13 2HB ASN 13 6.903 15.701 -9.656 98 HD21 ASN 13 1HD2 ASN 13 7.023 14.695 -6.058 99 HD22 ASN 13 2HD2 ASN 13 7.675 14.032 -7.520 100 H ASN 14 H ASN 14 4.224 13.689 -11.731 101 HA ASN 14 HA ASN 14 5.531 15.305 -13.861 102 HB2 ASN 14 1HB ASN 14 4.706 12.388 -13.745 103 HB3 ASN 14 2HB ASN 14 5.333 13.171 -15.189 104 HD21 ASN 14 1HD2 ASN 14 7.957 11.473 -12.966 105 HD22 ASN 14 2HD2 ASN 14 6.334 10.995 -13.341 106 H ILE 15 H ILE 15 2.632 15.291 -12.551 107 HA ILE 15 HA ILE 15 1.202 15.364 -15.174 108 HB ILE 15 HB ILE 15 0.113 14.883 -12.369 109 HG12 ILE 15 1HG1 ILE 15 0.112 13.047 -14.770 110 HG13 ILE 15 2HG1 ILE 15 1.340 13.002 -13.514 111 HG21 ILE 15 1HG2 ILE 15 -2.062 14.586 -13.482 112 HG22 ILE 15 2HG2 ILE 15 -1.444 16.237 -13.716 113 HG23 ILE 15 3HG2 ILE 15 -1.334 15.052 -15.037 114 HD11 ILE 15 1HD1 ILE 15 -0.364 11.310 -13.134 115 HD12 ILE 15 2HD1 ILE 15 -0.383 12.521 -11.829 116 HD13 ILE 15 3HD1 ILE 15 -1.627 12.564 -13.102 117 H THR 16 H THR 16 0.901 17.323 -15.936 118 HA THR 16 HA THR 16 0.890 19.633 -14.111 119 HB THR 16 HB THR 16 0.875 20.998 -16.147 120 HG1 THR 16 HG1 THR 16 0.801 18.585 -17.655 121 HG21 THR 16 1HG2 THR 16 2.969 20.207 -17.174 122 HG22 THR 16 2HG2 THR 16 3.036 20.061 -15.403 123 HG23 THR 16 3HG2 THR 16 2.752 18.619 -16.404 124 H LEU 17 H LEU 17 -0.745 21.427 -14.783 125 HA LEU 17 HA LEU 17 -3.306 20.513 -13.941 126 HB2 LEU 17 1HB LEU 17 -2.423 23.098 -15.265 127 HB3 LEU 17 2HB LEU 17 -4.055 22.829 -14.646 128 HG LEU 17 HG LEU 17 -1.531 22.752 -12.955 129 HD11 LEU 17 1HD1 LEU 17 -2.304 24.924 -12.114 130 HD12 LEU 17 2HD1 LEU 17 -1.952 24.982 -13.857 131 HD13 LEU 17 3HD1 LEU 17 -3.638 24.906 -13.290 132 HD21 LEU 17 1HD2 LEU 17 -3.146 22.795 -11.086 133 HD22 LEU 17 2HD2 LEU 17 -4.494 22.747 -12.247 134 HD23 LEU 17 3HD2 LEU 17 -3.389 21.358 -12.108 135 H GLU 18 H GLU 18 -1.994 21.268 -17.152 136 HA GLU 18 HA GLU 18 -4.464 20.852 -18.565 137 HB2 GLU 18 1HB GLU 18 -2.587 22.063 -19.581 138 HB3 GLU 18 2HB GLU 18 -1.568 20.634 -19.484 139 HG2 GLU 18 1HG GLU 18 -2.351 20.934 -21.739 140 HG3 GLU 18 2HG GLU 18 -3.048 19.464 -21.061 141 H ASP 19 H ASP 19 -1.747 18.723 -17.704 142 HA ASP 19 HA ASP 19 -2.668 16.393 -19.038 143 HB2 ASP 19 1HB ASP 19 -1.029 16.762 -16.505 144 HB3 ASP 19 2HB ASP 19 -1.361 15.181 -17.198 145 H LEU 20 H LEU 20 -3.440 17.718 -15.833 146 HA LEU 20 HA LEU 20 -5.031 15.561 -14.905 147 HB2 LEU 20 1HB LEU 20 -5.129 18.544 -14.372 148 HB3 LEU 20 2HB LEU 20 -6.193 17.397 -13.552 149 HG LEU 20 HG LEU 20 -3.157 17.338 -13.420 150 HD11 LEU 20 1HD1 LEU 20 -3.468 18.204 -11.145 151 HD12 LEU 20 2HD1 LEU 20 -4.074 19.343 -12.370 152 HD13 LEU 20 3HD1 LEU 20 -5.218 18.347 -11.438 153 HD21 LEU 20 1HD2 LEU 20 -3.569 15.735 -11.586 154 HD22 LEU 20 2HD2 LEU 20 -5.321 15.843 -11.884 155 HD23 LEU 20 3HD2 LEU 20 -4.250 15.141 -13.119 156 H GLU 21 H GLU 21 -5.872 18.411 -16.868 157 HA GLU 21 HA GLU 21 -8.677 17.897 -16.978 158 HB2 GLU 21 1HB GLU 21 -6.819 19.360 -18.892 159 HB3 GLU 21 2HB GLU 21 -8.567 19.326 -19.075 160 HG2 GLU 21 1HG GLU 21 -7.054 20.451 -16.708 161 HG3 GLU 21 2HG GLU 21 -7.790 21.382 -18.012 162 H GLN 22 H GLN 22 -5.961 16.770 -18.954 163 HA GLN 22 HA GLN 22 -7.597 15.357 -20.862 164 HB2 GLN 22 1HB GLN 22 -4.699 14.930 -20.028 165 HB3 GLN 22 2HB GLN 22 -5.470 14.154 -21.404 166 HG2 GLN 22 1HG GLN 22 -5.071 17.131 -21.048 167 HG3 GLN 22 2HG GLN 22 -4.116 16.046 -22.097 168 HE21 GLN 22 1HE2 GLN 22 -6.990 17.925 -23.845 169 HE22 GLN 22 2HE2 GLN 22 -5.897 18.460 -22.612 170 H LEU 23 H LEU 23 -6.141 14.519 -17.750 171 HA LEU 23 HA LEU 23 -6.792 11.711 -17.919 172 HB2 LEU 23 1HB LEU 23 -6.134 13.532 -15.583 173 HB3 LEU 23 2HB LEU 23 -6.401 11.795 -15.414 174 HG LEU 23 HG LEU 23 -4.209 13.061 -17.096 175 HD11 LEU 23 1HD1 LEU 23 -2.715 12.283 -15.311 176 HD12 LEU 23 2HD1 LEU 23 -3.892 13.475 -14.710 177 HD13 LEU 23 3HD1 LEU 23 -4.124 11.744 -14.367 178 HD21 LEU 23 1HD2 LEU 23 -3.351 10.745 -17.189 179 HD22 LEU 23 2HD2 LEU 23 -4.769 10.183 -16.271 180 HD23 LEU 23 3HD2 LEU 23 -4.977 10.855 -17.906 181 H LYS 24 H LYS 24 -8.473 14.590 -16.797 182 HA LYS 24 HA LYS 24 -10.632 13.301 -15.458 183 HB2 LYS 24 1HB LYS 24 -10.431 15.936 -16.954 184 HB3 LYS 24 2HB LYS 24 -11.909 15.421 -16.152 185 HG2 LYS 24 1HG LYS 24 -10.764 15.369 -13.994 186 HG3 LYS 24 2HG LYS 24 -9.232 15.786 -14.774 187 HD2 LYS 24 1HD LYS 24 -10.291 17.913 -15.593 188 HD3 LYS 24 2HD LYS 24 -11.737 17.504 -14.658 189 HE2 LYS 24 1HE LYS 24 -10.386 17.476 -12.584 190 HE3 LYS 24 2HE LYS 24 -8.945 17.890 -13.516 191 HZ1 LYS 24 1HZ LYS 24 -9.924 19.815 -12.505 192 HZ2 LYS 24 2HZ LYS 24 -10.014 19.944 -14.147 193 HZ3 LYS 24 3HZ LYS 24 -11.359 19.558 -13.274 194 H SER 25 H SER 25 -10.124 14.109 -18.883 195 HA SER 25 HA SER 25 -12.688 13.038 -19.712 196 HB2 SER 25 1HB SER 25 -11.890 13.360 -21.949 197 HB3 SER 25 2HB SER 25 -11.362 14.736 -20.992 198 HG SER 25 HG SER 25 -9.418 13.318 -20.661 199 H ALA 26 H ALA 26 -9.443 11.755 -19.269 200 HA ALA 26 HA ALA 26 -9.817 9.278 -20.623 201 HB1 ALA 26 1HB ALA 26 -7.959 8.464 -19.206 202 HB2 ALA 26 2HB ALA 26 -7.611 10.069 -19.892 203 HB3 ALA 26 3HB ALA 26 -8.108 9.917 -18.191 204 H CYS 27 H CYS 27 -10.675 10.351 -17.367 205 HA CYS 27 HA CYS 27 -11.990 7.708 -16.929 206 HB2 CYS 27 1HB CYS 27 -12.034 8.276 -14.556 207 HB3 CYS 27 2HB CYS 27 -10.392 8.401 -15.171 208 HG CYS 27 HG CYS 27 -12.466 10.928 -15.009 209 H LYS 28 H LYS 28 -13.082 9.714 -18.694 210 HA LYS 28 HA LYS 28 -15.091 11.280 -17.398 211 HB2 LYS 28 1HB LYS 28 -14.327 11.685 -19.720 212 HB3 LYS 28 2HB LYS 28 -15.036 10.158 -20.228 213 HG2 LYS 28 1HG LYS 28 -17.276 10.984 -19.691 214 HG3 LYS 28 2HG LYS 28 -16.590 12.502 -19.095 215 HD2 LYS 28 1HD LYS 28 -15.670 12.977 -21.337 216 HD3 LYS 28 2HD LYS 28 -16.331 11.449 -21.937 217 HE2 LYS 28 1HE LYS 28 -18.618 12.229 -21.401 218 HE3 LYS 28 2HE LYS 28 -17.959 13.754 -20.802 219 HZ1 LYS 28 1HZ LYS 28 -18.737 13.949 -23.049 220 HZ2 LYS 28 2HZ LYS 28 -17.105 14.182 -23.004 221 HZ3 LYS 28 3HZ LYS 28 -17.721 12.757 -23.562 222 H GLU 29 H GLU 29 -15.152 8.007 -18.792 223 HA GLU 29 HA GLU 29 -17.981 7.734 -17.935 224 HB2 GLU 29 1HB GLU 29 -16.209 5.943 -19.646 225 HB3 GLU 29 2HB GLU 29 -17.881 5.588 -19.235 226 HG2 GLU 29 1HG GLU 29 -18.612 7.617 -20.407 227 HG3 GLU 29 2HG GLU 29 -16.938 7.999 -20.801 228 H ASP 30 H ASP 30 -14.994 7.301 -16.614 229 HA ASP 30 HA ASP 30 -15.520 4.703 -15.341 230 HB2 ASP 30 1HB ASP 30 -13.254 6.717 -15.081 231 HB3 ASP 30 2HB ASP 30 -13.343 5.240 -14.131 232 H ILE 31 H ILE 31 -15.005 8.075 -14.237 233 HA ILE 31 HA ILE 31 -16.572 7.362 -11.792 234 HB ILE 31 HB ILE 31 -15.316 9.159 -10.620 235 HG12 ILE 31 1HG1 ILE 31 -13.638 9.343 -13.133 236 HG13 ILE 31 2HG1 ILE 31 -14.872 10.507 -12.676 237 HG21 ILE 31 1HG2 ILE 31 -13.149 7.998 -10.498 238 HG22 ILE 31 2HG2 ILE 31 -14.496 6.836 -10.519 239 HG23 ILE 31 3HG2 ILE 31 -13.535 7.109 -11.991 240 HD11 ILE 31 1HD1 ILE 31 -12.656 11.291 -12.058 241 HD12 ILE 31 2HD1 ILE 31 -13.649 11.014 -10.607 242 HD13 ILE 31 3HD1 ILE 31 -12.398 9.834 -11.069 243 HA PRO 32 HA PRO 32 -19.625 10.274 -12.630 244 HB2 PRO 32 1HB PRO 32 -19.018 11.525 -9.924 245 HB3 PRO 32 2HB PRO 32 -20.575 11.012 -10.587 246 HG2 PRO 32 1HG PRO 32 -19.386 9.436 -8.803 247 HG3 PRO 32 2HG PRO 32 -20.129 8.701 -10.227 248 HD2 PRO 32 1HD PRO 32 -17.195 9.316 -9.694 249 HD3 PRO 32 2HD PRO 32 -17.935 7.844 -10.444 250 H SER 33 H SER 33 -19.849 12.311 -13.520 251 HA SER 33 HA SER 33 -17.469 13.789 -14.107 252 HB2 SER 33 1HB SER 33 -18.926 15.323 -15.264 253 HB3 SER 33 2HB SER 33 -19.488 13.685 -15.563 254 HG SER 33 HG SER 33 -21.038 15.373 -14.934 255 H GLU 34 H GLU 34 -19.754 13.938 -11.503 256 HA GLU 34 HA GLU 34 -19.225 16.622 -10.644 257 HB2 GLU 34 1HB GLU 34 -20.117 14.144 -9.120 258 HB3 GLU 34 2HB GLU 34 -20.017 15.743 -8.397 259 HG2 GLU 34 1HG GLU 34 -21.669 16.589 -9.999 260 HG3 GLU 34 2HG GLU 34 -21.754 15.002 -10.760 261 H LYS 35 H LYS 35 -17.414 13.667 -10.448 262 HA LYS 35 HA LYS 35 -15.755 14.557 -8.210 263 HB2 LYS 35 1HB LYS 35 -15.459 12.225 -10.145 264 HB3 LYS 35 2HB LYS 35 -14.417 12.508 -8.758 265 HG2 LYS 35 1HG LYS 35 -17.385 11.896 -8.698 266 HG3 LYS 35 2HG LYS 35 -16.061 10.827 -8.214 267 HD2 LYS 35 1HD LYS 35 -15.436 12.445 -6.427 268 HD3 LYS 35 2HD LYS 35 -16.807 13.462 -6.892 269 HE2 LYS 35 1HE LYS 35 -18.345 11.558 -6.406 270 HE3 LYS 35 2HE LYS 35 -16.960 10.603 -5.867 271 HZ1 LYS 35 1HZ LYS 35 -18.089 11.632 -4.035 272 HZ2 LYS 35 2HZ LYS 35 -16.564 12.247 -4.165 273 HZ3 LYS 35 3HZ LYS 35 -17.857 13.139 -4.668 274 H SER 36 H SER 36 -15.693 14.755 -11.691 275 HA SER 36 HA SER 36 -12.896 15.342 -11.974 276 HB2 SER 36 1HB SER 36 -13.434 16.017 -14.188 277 HB3 SER 36 2HB SER 36 -14.506 14.677 -13.810 278 HG SER 36 HG SER 36 -16.119 16.130 -13.360 279 H GLU 37 H GLU 37 -15.628 17.197 -10.893 280 HA GLU 37 HA GLU 37 -14.217 19.756 -11.107 281 HB2 GLU 37 1HB GLU 37 -16.774 18.940 -9.670 282 HB3 GLU 37 2HB GLU 37 -16.149 20.583 -9.707 283 HG2 GLU 37 1HG GLU 37 -16.353 20.606 -12.162 284 HG3 GLU 37 2HG GLU 37 -16.983 18.960 -12.121 285 H GLU 38 H GLU 38 -14.419 17.120 -8.874 286 HA GLU 38 HA GLU 38 -13.468 18.720 -6.599 287 HB2 GLU 38 1HB GLU 38 -13.905 15.727 -6.949 288 HB3 GLU 38 2HB GLU 38 -13.378 16.480 -5.451 289 HG2 GLU 38 1HG GLU 38 -15.475 17.789 -5.385 290 HG3 GLU 38 2HG GLU 38 -16.003 16.993 -6.866 291 H ILE 39 H ILE 39 -12.154 16.749 -9.153 292 HA ILE 39 HA ILE 39 -9.581 16.274 -7.961 293 HB ILE 39 HB ILE 39 -10.472 16.388 -10.872 294 HG12 ILE 39 1HG1 ILE 39 -9.809 14.006 -9.130 295 HG13 ILE 39 2HG1 ILE 39 -11.439 14.613 -9.376 296 HG21 ILE 39 1HG2 ILE 39 -8.339 15.270 -11.383 297 HG22 ILE 39 2HG2 ILE 39 -8.065 16.884 -10.689 298 HG23 ILE 39 3HG2 ILE 39 -7.841 15.434 -9.682 299 HD11 ILE 39 1HD1 ILE 39 -10.975 12.733 -10.844 300 HD12 ILE 39 2HD1 ILE 39 -11.237 14.216 -11.792 301 HD13 ILE 39 3HD1 ILE 39 -9.586 13.599 -11.543 302 H THR 40 H THR 40 -8.244 17.796 -7.297 303 HA THR 40 HA THR 40 -7.750 20.072 -9.171 304 HB THR 40 HB THR 40 -7.013 21.406 -7.221 305 HG1 THR 40 HG1 THR 40 -7.981 19.238 -5.635 306 HG21 THR 40 1HG2 THR 40 -9.219 21.726 -6.174 307 HG22 THR 40 2HG2 THR 40 -9.375 21.530 -7.935 308 HG23 THR 40 3HG2 THR 40 -9.771 20.177 -6.851 309 H THR 41 H THR 41 -6.481 17.348 -7.509 310 HA THR 41 HA THR 41 -3.774 18.054 -8.553 311 HB THR 41 HB THR 41 -2.727 16.970 -6.632 312 HG1 THR 41 HG1 THR 41 -3.851 15.701 -5.366 313 HG21 THR 41 1HG2 THR 41 -3.398 18.528 -4.845 314 HG22 THR 41 2HG2 THR 41 -3.291 19.365 -6.412 315 HG23 THR 41 3HG2 THR 41 -4.880 18.926 -5.743 316 H GLY 42 H GLY 42 -2.354 16.100 -8.786 317 HA2 GLY 42 1HA GLY 42 -3.598 14.034 -10.328 318 HA3 GLY 42 2HA GLY 42 -1.960 14.004 -9.702 319 H SER 43 H SER 43 -2.646 14.282 -6.913 320 HA SER 43 HA SER 43 -3.078 11.534 -6.245 321 HB2 SER 43 1HB SER 43 -3.046 12.282 -3.944 322 HB3 SER 43 2HB SER 43 -1.807 13.141 -4.845 323 HG SER 43 HG SER 43 -3.946 14.068 -3.543 324 H ALA 44 H ALA 44 -5.218 14.343 -6.404 325 HA ALA 44 HA ALA 44 -7.513 13.072 -5.266 326 HB1 ALA 44 1HB ALA 44 -8.794 14.837 -6.431 327 HB2 ALA 44 2HB ALA 44 -7.377 15.502 -5.585 328 HB3 ALA 44 3HB ALA 44 -7.337 15.279 -7.350 329 H TRP 45 H TRP 45 -6.404 13.392 -8.645 330 HA TRP 45 HA TRP 45 -8.504 11.951 -9.864 331 HB2 TRP 45 1HB TRP 45 -6.782 13.211 -11.119 332 HB3 TRP 45 2HB TRP 45 -5.560 12.044 -10.635 333 HD1 TRP 45 HD1 TRP 45 -8.916 12.051 -12.626 334 HE1 TRP 45 HE1 TRP 45 -8.734 10.305 -14.525 335 HE3 TRP 45 HE3 TRP 45 -4.271 10.172 -11.526 336 HZ2 TRP 45 HZ2 TRP 45 -6.852 8.400 -15.420 337 HZ3 TRP 45 HZ3 TRP 45 -3.339 8.387 -12.943 338 HH2 TRP 45 HH2 TRP 45 -4.602 7.512 -14.863 339 H PHE 46 H PHE 46 -5.451 10.790 -8.434 340 HA PHE 46 HA PHE 46 -5.863 8.031 -9.060 341 HB2 PHE 46 1HB PHE 46 -4.230 9.454 -6.935 342 HB3 PHE 46 2HB PHE 46 -4.270 7.702 -7.052 343 HD1 PHE 46 HD1 PHE 46 -2.336 10.379 -7.819 344 HD2 PHE 46 HD2 PHE 46 -4.046 6.966 -9.737 345 HE1 PHE 46 HE1 PHE 46 -0.559 10.457 -9.536 346 HE2 PHE 46 HE2 PHE 46 -2.269 7.039 -11.455 347 HZ PHE 46 HZ PHE 46 -0.527 8.786 -11.355 348 H SER 47 H SER 47 -6.851 10.046 -6.310 349 HA SER 47 HA SER 47 -7.420 7.831 -4.574 350 HB2 SER 47 1HB SER 47 -8.377 9.468 -3.099 351 HB3 SER 47 2HB SER 47 -6.946 10.173 -3.833 352 HG SER 47 HG SER 47 -8.583 10.912 -5.472 353 H PHE 48 H PHE 48 -9.295 9.581 -6.972 354 HA PHE 48 HA PHE 48 -11.856 8.545 -6.053 355 HB2 PHE 48 1HB PHE 48 -10.974 9.988 -8.577 356 HB3 PHE 48 2HB PHE 48 -12.625 9.443 -8.327 357 HD1 PHE 48 HD1 PHE 48 -10.941 12.282 -8.419 358 HD2 PHE 48 HD2 PHE 48 -13.168 10.040 -5.545 359 HE1 PHE 48 HE1 PHE 48 -11.439 14.365 -7.184 360 HE2 PHE 48 HE2 PHE 48 -13.671 12.120 -4.307 361 HZ PHE 48 HZ PHE 48 -12.804 14.283 -5.127 362 H LEU 49 H LEU 49 -9.481 7.691 -8.541 363 HA LEU 49 HA LEU 49 -11.112 5.578 -9.676 364 HB2 LEU 49 1HB LEU 49 -8.139 6.178 -9.835 365 HB3 LEU 49 2HB LEU 49 -8.934 4.884 -10.738 366 HG LEU 49 HG LEU 49 -9.570 7.843 -11.023 367 HD11 LEU 49 1HD1 LEU 49 -8.381 7.655 -13.161 368 HD12 LEU 49 2HD1 LEU 49 -7.310 7.318 -11.781 369 HD13 LEU 49 3HD1 LEU 49 -7.938 5.977 -12.768 370 HD21 LEU 49 1HD2 LEU 49 -10.819 7.075 -13.013 371 HD22 LEU 49 2HD2 LEU 49 -10.411 5.387 -12.619 372 HD23 LEU 49 3HD2 LEU 49 -11.458 6.328 -11.530 373 H GLU 50 H GLU 50 -8.856 5.847 -7.013 374 HA GLU 50 HA GLU 50 -8.750 2.967 -6.554 375 HB2 GLU 50 1HB GLU 50 -8.003 5.373 -4.852 376 HB3 GLU 50 2HB GLU 50 -7.846 3.716 -4.285 377 HG2 GLU 50 1HG GLU 50 -6.492 4.788 -6.768 378 HG3 GLU 50 2HG GLU 50 -5.750 4.746 -5.170 379 H SER 51 H SER 51 -10.634 5.718 -5.339 380 HA SER 51 HA SER 51 -11.958 4.220 -3.266 381 HB2 SER 51 1HB SER 51 -12.689 6.804 -4.679 382 HB3 SER 51 2HB SER 51 -13.556 6.163 -3.292 383 HG SER 51 HG SER 51 -10.901 7.032 -3.480 384 H HIS 52 H HIS 52 -12.707 4.952 -6.649 385 HA HIS 52 HA HIS 52 -15.301 3.517 -6.411 386 HB2 HIS 52 1HB HIS 52 -14.065 5.103 -8.692 387 HB3 HIS 52 2HB HIS 52 -15.617 4.282 -8.778 388 HD1 HIS 52 HD1 HIS 52 -17.294 5.082 -6.619 389 HD2 HIS 52 HD2 HIS 52 -14.365 7.815 -7.932 390 HE1 HIS 52 HE1 HIS 52 -18.069 7.291 -5.916 391 H ASN 53 H ASN 53 -12.127 2.740 -6.944 392 HA ASN 53 HA ASN 53 -11.092 0.881 -7.830 393 HB2 ASN 53 1HB ASN 53 -13.878 -0.261 -7.444 394 HB3 ASN 53 2HB ASN 53 -12.455 -1.223 -7.823 395 HD21 ASN 53 1HD2 ASN 53 -13.292 -0.564 -4.062 396 HD22 ASN 53 2HD2 ASN 53 -14.393 -0.558 -5.399 397 H LYS 54 H LYS 54 -11.501 2.626 -9.760 398 HA LYS 54 HA LYS 54 -12.904 1.183 -11.960 399 HB2 LYS 54 1HB LYS 54 -12.102 4.110 -11.716 400 HB3 LYS 54 2HB LYS 54 -12.892 3.396 -13.115 401 HG2 LYS 54 1HG LYS 54 -14.066 3.544 -10.323 402 HG3 LYS 54 2HG LYS 54 -14.468 4.608 -11.679 403 HD2 LYS 54 1HD LYS 54 -15.296 2.675 -12.968 404 HD3 LYS 54 2HD LYS 54 -14.865 1.593 -11.636 405 HE2 LYS 54 1HE LYS 54 -16.445 2.781 -10.153 406 HE3 LYS 54 2HE LYS 54 -16.872 3.872 -11.474 407 HZ1 LYS 54 1HZ LYS 54 -18.454 2.103 -11.247 408 HZ2 LYS 54 2HZ LYS 54 -17.685 1.976 -12.701 409 HZ3 LYS 54 3HZ LYS 54 -17.288 0.958 -11.466 410 H LEU 55 H LEU 55 -9.825 2.471 -10.912 411 HA LEU 55 HA LEU 55 -8.624 1.351 -13.410 412 HB2 LEU 55 1HB LEU 55 -8.431 3.823 -13.274 413 HB3 LEU 55 2HB LEU 55 -7.605 3.664 -11.721 414 HG LEU 55 HG LEU 55 -5.774 2.400 -12.902 415 HD11 LEU 55 1HD1 LEU 55 -5.679 2.561 -15.349 416 HD12 LEU 55 2HD1 LEU 55 -7.088 1.621 -14.806 417 HD13 LEU 55 3HD1 LEU 55 -7.298 3.298 -15.364 418 HD21 LEU 55 1HD2 LEU 55 -4.810 4.434 -13.922 419 HD22 LEU 55 2HD2 LEU 55 -6.416 5.200 -13.917 420 HD23 LEU 55 3HD2 LEU 55 -5.612 4.812 -12.378 421 H ASP 56 H ASP 56 -7.257 -0.269 -13.163 422 HA ASP 56 HA ASP 56 -6.678 -1.355 -10.571 423 HB2 ASP 56 1HB ASP 56 -5.546 -1.928 -13.333 424 HB3 ASP 56 2HB ASP 56 -5.056 -2.819 -11.899 425 H LYS 57 H LYS 57 -4.680 -1.598 -9.504 426 HA LYS 57 HA LYS 57 -3.303 0.901 -9.284 427 HB2 LYS 57 1HB LYS 57 -2.726 -1.860 -8.151 428 HB3 LYS 57 2HB LYS 57 -1.746 -0.450 -7.771 429 HG2 LYS 57 1HG LYS 57 -3.757 0.679 -6.848 430 HG3 LYS 57 2HG LYS 57 -4.700 -0.781 -7.179 431 HD2 LYS 57 1HD LYS 57 -3.369 -2.083 -5.643 432 HD3 LYS 57 2HD LYS 57 -2.202 -0.766 -5.452 433 HE2 LYS 57 1HE LYS 57 -3.734 -0.901 -3.526 434 HE3 LYS 57 2HE LYS 57 -3.912 0.632 -4.383 435 HZ1 LYS 57 1HZ LYS 57 -6.028 -0.323 -3.835 436 HZ2 LYS 57 2HZ LYS 57 -5.849 -0.270 -5.475 437 HZ3 LYS 57 3HZ LYS 57 -5.684 -1.702 -4.672 438 H ASP 58 H ASP 58 -2.666 -2.017 -11.102 439 HA ASP 58 HA ASP 58 0.079 -1.086 -11.733 440 HB2 ASP 58 1HB ASP 58 0.382 -3.282 -12.771 441 HB3 ASP 58 2HB ASP 58 -0.226 -3.466 -11.131 442 H ASN 59 H ASN 59 -2.815 -0.231 -12.778 443 HA ASN 59 HA ASN 59 -2.023 -0.249 -15.660 444 HB2 ASN 59 1HB ASN 59 -4.158 -1.411 -15.151 445 HB3 ASN 59 2HB ASN 59 -4.788 0.071 -14.447 446 HD21 ASN 59 1HD2 ASN 59 -5.840 -0.342 -18.031 447 HD22 ASN 59 2HD2 ASN 59 -5.859 -1.400 -16.660 448 H LEU 60 H LEU 60 -0.843 1.536 -15.915 449 HA LEU 60 HA LEU 60 -2.159 4.105 -15.142 450 HB2 LEU 60 1HB LEU 60 0.781 3.531 -15.648 451 HB3 LEU 60 2HB LEU 60 0.098 5.107 -15.239 452 HG LEU 60 HG LEU 60 0.015 2.673 -13.421 453 HD11 LEU 60 1HD1 LEU 60 1.773 3.829 -12.159 454 HD12 LEU 60 2HD1 LEU 60 2.306 3.423 -13.808 455 HD13 LEU 60 3HD1 LEU 60 1.840 5.093 -13.409 456 HD21 LEU 60 1HD2 LEU 60 -0.644 4.347 -11.726 457 HD22 LEU 60 2HD2 LEU 60 -0.612 5.620 -12.970 458 HD23 LEU 60 3HD2 LEU 60 -1.809 4.306 -13.071 459 H SER 61 H SER 61 -2.859 2.609 -17.486 460 HA SER 61 HA SER 61 -1.347 3.505 -19.766 461 HB2 SER 61 1HB SER 61 -3.157 2.546 -21.082 462 HB3 SER 61 2HB SER 61 -2.720 1.457 -19.774 463 HG SER 61 HG SER 61 -4.487 2.000 -18.688 464 H TYR 62 H TYR 62 -3.968 4.857 -17.908 465 HA TYR 62 HA TYR 62 -4.894 6.756 -19.841 466 HB2 TYR 62 1HB TYR 62 -4.925 6.709 -16.805 467 HB3 TYR 62 2HB TYR 62 -5.605 8.045 -17.725 468 HD1 TYR 62 HD1 TYR 62 -6.443 5.955 -20.035 469 HD2 TYR 62 HD2 TYR 62 -7.149 6.330 -15.818 470 HE1 TYR 62 HE1 TYR 62 -8.564 4.707 -20.278 471 HE2 TYR 62 HE2 TYR 62 -9.268 5.082 -16.062 472 HH TYR 62 HH TYR 62 -10.817 4.370 -17.602 473 H ILE 63 H ILE 63 -2.287 6.854 -17.435 474 HA ILE 63 HA ILE 63 -1.564 9.594 -18.057 475 HB ILE 63 HB ILE 63 -0.080 7.371 -16.598 476 HG12 ILE 63 1HG1 ILE 63 -1.404 9.865 -15.516 477 HG13 ILE 63 2HG1 ILE 63 -2.185 8.293 -15.581 478 HG21 ILE 63 1HG2 ILE 63 1.460 9.137 -15.842 479 HG22 ILE 63 2HG2 ILE 63 1.519 8.952 -17.610 480 HG23 ILE 63 3HG2 ILE 63 0.630 10.314 -16.888 481 HD11 ILE 63 1HD1 ILE 63 -1.260 8.723 -13.374 482 HD12 ILE 63 2HD1 ILE 63 -0.431 7.348 -14.143 483 HD13 ILE 63 3HD1 ILE 63 0.359 8.941 -14.076 484 H GLU 64 H GLU 64 -0.384 6.381 -19.030 485 HA GLU 64 HA GLU 64 1.727 7.235 -20.712 486 HB2 GLU 64 1HB GLU 64 -0.158 4.858 -20.954 487 HB3 GLU 64 2HB GLU 64 1.265 5.082 -21.962 488 HG2 GLU 64 1HG GLU 64 2.730 4.908 -20.068 489 HG3 GLU 64 2HG GLU 64 1.373 4.941 -18.945 490 H HIS 65 H HIS 65 -1.763 7.032 -21.281 491 HA HIS 65 HA HIS 65 -1.710 7.415 -24.108 492 HB2 HIS 65 1HB HIS 65 -3.714 6.668 -22.860 493 HB3 HIS 65 2HB HIS 65 -3.836 8.249 -22.101 494 HD1 HIS 65 HD1 HIS 65 -3.922 6.715 -25.597 495 HD2 HIS 65 HD2 HIS 65 -5.473 10.063 -23.561 496 HE1 HIS 65 HE1 HIS 65 -5.351 7.876 -27.202 497 H ILE 66 H ILE 66 -2.045 9.781 -21.450 498 HA ILE 66 HA ILE 66 -2.246 12.016 -23.269 499 HB ILE 66 HB ILE 66 -2.076 13.415 -21.249 500 HG12 ILE 66 1HG1 ILE 66 -1.487 10.874 -19.718 501 HG13 ILE 66 2HG1 ILE 66 -0.263 12.042 -20.192 502 HG21 ILE 66 1HG2 ILE 66 -3.980 12.485 -19.995 503 HG22 ILE 66 2HG2 ILE 66 -4.234 12.331 -21.749 504 HG23 ILE 66 3HG2 ILE 66 -3.743 10.913 -20.794 505 HD11 ILE 66 1HD1 ILE 66 -0.954 12.382 -17.886 506 HD12 ILE 66 2HD1 ILE 66 -1.402 13.785 -18.887 507 HD13 ILE 66 3HD1 ILE 66 -2.641 12.600 -18.405 508 H PHE 67 H PHE 67 0.387 10.312 -21.744 509 HA PHE 67 HA PHE 67 2.369 12.366 -22.333 510 HB2 PHE 67 1HB PHE 67 2.510 9.466 -21.465 511 HB3 PHE 67 2HB PHE 67 3.958 10.346 -21.928 512 HD1 PHE 67 HD1 PHE 67 2.160 12.906 -20.683 513 HD2 PHE 67 HD2 PHE 67 3.954 9.278 -19.318 514 HE1 PHE 67 HE1 PHE 67 2.321 13.846 -18.402 515 HE2 PHE 67 HE2 PHE 67 4.115 10.213 -17.036 516 HZ PHE 67 HZ PHE 67 3.299 12.499 -16.578 517 H GLU 68 H GLU 68 1.022 9.552 -23.968 518 HA GLU 68 HA GLU 68 2.852 9.618 -26.198 519 HB2 GLU 68 1HB GLU 68 1.367 7.678 -25.660 520 HB3 GLU 68 2HB GLU 68 -0.034 8.649 -26.091 521 HG2 GLU 68 1HG GLU 68 0.521 7.186 -27.910 522 HG3 GLU 68 2HG GLU 68 0.822 8.854 -28.395 523 H ILE 69 H ILE 69 -0.188 11.264 -25.432 524 HA ILE 69 HA ILE 69 -0.443 12.591 -27.971 525 HB ILE 69 HB ILE 69 -1.506 13.254 -25.199 526 HG12 ILE 69 1HG1 ILE 69 -2.949 12.247 -27.658 527 HG13 ILE 69 2HG1 ILE 69 -2.321 11.195 -26.397 528 HG21 ILE 69 1HG2 ILE 69 -2.966 14.890 -26.318 529 HG22 ILE 69 2HG2 ILE 69 -1.253 15.332 -26.500 530 HG23 ILE 69 3HG2 ILE 69 -2.130 14.589 -27.859 531 HD11 ILE 69 1HD1 ILE 69 -4.694 11.626 -26.081 532 HD12 ILE 69 2HD1 ILE 69 -3.749 12.313 -24.738 533 HD13 ILE 69 3HD1 ILE 69 -4.385 13.375 -26.015 534 H SER 70 H SER 70 1.074 13.502 -24.877 535 HA SER 70 HA SER 70 1.779 16.151 -25.854 536 HB2 SER 70 1HB SER 70 2.809 16.464 -23.719 537 HB3 SER 70 2HB SER 70 1.311 15.586 -23.451 538 HG SER 70 HG SER 70 3.150 13.805 -23.926 539 H ARG 71 H ARG 71 3.038 13.081 -26.368 540 HA ARG 71 HA ARG 71 4.981 12.343 -27.355 541 HB2 ARG 71 1HB ARG 71 5.682 15.240 -27.890 542 HB3 ARG 71 2HB ARG 71 6.200 13.819 -28.785 543 HG2 ARG 71 1HG ARG 71 3.423 15.016 -28.716 544 HG3 ARG 71 2HG ARG 71 4.566 14.982 -30.081 545 HD2 ARG 71 1HD ARG 71 3.332 12.571 -28.770 546 HD3 ARG 71 2HD ARG 71 2.790 13.322 -30.288 547 HE ARG 71 HE ARG 71 5.341 12.846 -30.887 548 HH11 ARG 71 1HH1 ARG 71 2.997 10.798 -29.256 549 HH12 ARG 71 2HH1 ARG 71 3.711 9.309 -29.834 550 HH21 ARG 71 1HH2 ARG 71 6.257 10.906 -31.631 551 HH22 ARG 71 2HH2 ARG 71 5.555 9.368 -31.178 552 H ARG 72 H ARG 72 5.205 12.236 -24.760 553 HA ARG 72 HA ARG 72 7.984 13.199 -24.271 554 HB2 ARG 72 1HB ARG 72 5.653 13.301 -22.330 555 HB3 ARG 72 2HB ARG 72 7.331 13.483 -21.846 556 HG2 ARG 72 1HG ARG 72 7.522 15.477 -23.297 557 HG3 ARG 72 2HG ARG 72 5.802 15.305 -23.720 558 HD2 ARG 72 1HD ARG 72 6.784 15.553 -20.894 559 HD3 ARG 72 2HD ARG 72 6.347 16.947 -21.909 560 HE ARG 72 HE ARG 72 4.211 15.134 -22.006 561 HH11 ARG 72 1HH1 ARG 72 5.856 17.146 -19.642 562 HH12 ARG 72 2HH1 ARG 72 4.430 17.368 -18.654 563 HH21 ARG 72 1HH2 ARG 72 2.366 15.430 -20.714 564 HH22 ARG 72 2HH2 ARG 72 2.454 16.397 -19.259 565 HA PRO 73 HA PRO 73 7.536 8.601 -23.742 566 HB2 PRO 73 1HB PRO 73 10.317 8.964 -24.910 567 HB3 PRO 73 2HB PRO 73 9.130 7.696 -25.239 568 HG2 PRO 73 1HG PRO 73 9.425 9.633 -27.036 569 HG3 PRO 73 2HG PRO 73 7.793 9.106 -26.616 570 HD2 PRO 73 1HD PRO 73 9.333 11.544 -25.629 571 HD3 PRO 73 2HD PRO 73 7.608 11.427 -26.164 572 H ASP 74 H ASP 74 9.933 11.090 -23.019 573 HA ASP 74 HA ASP 74 11.639 9.701 -21.268 574 HB2 ASP 74 1HB ASP 74 10.705 12.592 -21.263 575 HB3 ASP 74 2HB ASP 74 11.926 11.988 -20.152 576 H LEU 75 H LEU 75 8.413 11.014 -20.728 577 HA LEU 75 HA LEU 75 8.566 10.284 -17.859 578 HB2 LEU 75 1HB LEU 75 6.384 11.664 -19.462 579 HB3 LEU 75 2HB LEU 75 6.336 11.370 -17.721 580 HG LEU 75 HG LEU 75 8.329 13.157 -19.164 581 HD11 LEU 75 1HD1 LEU 75 7.110 14.972 -18.049 582 HD12 LEU 75 2HD1 LEU 75 6.059 14.056 -19.155 583 HD13 LEU 75 3HD1 LEU 75 5.948 13.793 -17.398 584 HD21 LEU 75 1HD2 LEU 75 8.995 13.804 -16.874 585 HD22 LEU 75 2HD2 LEU 75 7.860 12.607 -16.205 586 HD23 LEU 75 3HD2 LEU 75 9.266 12.067 -17.152 587 H LEU 76 H LEU 76 6.885 9.426 -20.856 588 HA LEU 76 HA LEU 76 4.991 7.625 -19.806 589 HB2 LEU 76 1HB LEU 76 5.166 8.418 -22.187 590 HB3 LEU 76 2HB LEU 76 6.532 7.321 -22.406 591 HG LEU 76 HG LEU 76 3.886 6.225 -21.476 592 HD11 LEU 76 1HD1 LEU 76 3.226 5.935 -23.823 593 HD12 LEU 76 2HD1 LEU 76 3.351 7.654 -23.382 594 HD13 LEU 76 3HD1 LEU 76 4.641 6.883 -24.338 595 HD21 LEU 76 1HD2 LEU 76 4.723 4.255 -22.710 596 HD22 LEU 76 2HD2 LEU 76 6.160 5.179 -23.211 597 HD23 LEU 76 3HD2 LEU 76 5.903 4.796 -21.492 598 H THR 77 H THR 77 8.360 7.028 -20.830 599 HA THR 77 HA THR 77 8.424 4.253 -20.309 600 HB THR 77 HB THR 77 10.665 6.299 -20.012 601 HG1 THR 77 HG1 THR 77 9.968 6.288 -22.112 602 HG21 THR 77 1HG2 THR 77 12.163 4.367 -20.318 603 HG22 THR 77 2HG2 THR 77 11.171 4.177 -18.853 604 HG23 THR 77 3HG2 THR 77 10.758 3.275 -20.330 605 H MET 78 H MET 78 8.983 7.009 -18.131 606 HA MET 78 HA MET 78 9.731 5.460 -15.853 607 HB2 MET 78 1HB MET 78 8.439 8.201 -16.100 608 HB3 MET 78 2HB MET 78 8.977 7.522 -14.571 609 HG2 MET 78 1HG MET 78 11.277 7.477 -15.333 610 HG3 MET 78 2HG MET 78 10.791 7.978 -16.955 611 HE1 MET 78 1HE MET 78 10.676 10.648 -13.182 612 HE2 MET 78 2HE MET 78 9.629 9.218 -13.363 613 HE3 MET 78 3HE MET 78 11.396 9.021 -13.256 614 H VAL 79 H VAL 79 6.572 6.548 -17.054 615 HA VAL 79 HA VAL 79 5.016 5.619 -14.866 616 HB VAL 79 HB VAL 79 4.345 5.852 -17.830 617 HG11 VAL 79 1HG1 VAL 79 1.996 5.778 -17.148 618 HG12 VAL 79 2HG1 VAL 79 2.845 4.259 -16.777 619 HG13 VAL 79 3HG1 VAL 79 2.493 5.423 -15.477 620 HG21 VAL 79 1HG2 VAL 79 3.223 7.934 -17.103 621 HG22 VAL 79 2HG2 VAL 79 3.764 7.641 -15.433 622 HG23 VAL 79 3HG2 VAL 79 4.958 7.968 -16.711 623 H VAL 80 H VAL 80 5.986 3.996 -17.902 624 HA VAL 80 HA VAL 80 4.728 1.511 -17.409 625 HB VAL 80 HB VAL 80 7.309 2.169 -18.887 626 HG11 VAL 80 1HG1 VAL 80 7.080 -0.015 -19.966 627 HG12 VAL 80 2HG1 VAL 80 7.342 -0.162 -18.212 628 HG13 VAL 80 3HG1 VAL 80 5.714 -0.401 -18.892 629 HG21 VAL 80 1HG2 VAL 80 5.864 1.944 -20.882 630 HG22 VAL 80 2HG2 VAL 80 4.464 1.624 -19.831 631 HG23 VAL 80 3HG2 VAL 80 5.262 3.214 -19.792 632 H ASP 81 H ASP 81 7.987 2.669 -16.515 633 HA ASP 81 HA ASP 81 8.913 0.334 -15.236 634 HB2 ASP 81 1HB ASP 81 10.301 2.353 -15.682 635 HB3 ASP 81 2HB ASP 81 9.422 3.229 -14.437 636 H TYR 82 H TYR 82 6.929 3.001 -13.952 637 HA TYR 82 HA TYR 82 6.922 2.045 -11.250 638 HB2 TYR 82 1HB TYR 82 4.985 3.860 -12.743 639 HB3 TYR 82 2HB TYR 82 4.916 3.563 -11.012 640 HD1 TYR 82 HD1 TYR 82 8.279 3.405 -11.591 641 HD2 TYR 82 HD2 TYR 82 5.075 6.259 -11.636 642 HE1 TYR 82 HE1 TYR 82 9.900 5.232 -11.212 643 HE2 TYR 82 HE2 TYR 82 6.696 8.086 -11.257 644 HH TYR 82 HH TYR 82 10.130 7.415 -10.721 645 H ARG 83 H ARG 83 4.849 1.413 -14.039 646 HA ARG 83 HA ARG 83 2.762 0.053 -12.676 647 HB2 ARG 83 1HB ARG 83 3.878 -0.260 -15.478 648 HB3 ARG 83 2HB ARG 83 2.467 -1.139 -14.911 649 HG2 ARG 83 1HG ARG 83 1.287 0.973 -14.516 650 HG3 ARG 83 2HG ARG 83 2.720 1.875 -15.062 651 HD2 ARG 83 1HD ARG 83 1.175 1.751 -16.855 652 HD3 ARG 83 2HD ARG 83 2.551 0.687 -17.229 653 HE ARG 83 HE ARG 83 0.416 -0.731 -15.925 654 HH11 ARG 83 1HH1 ARG 83 1.474 0.571 -19.012 655 HH12 ARG 83 2HH1 ARG 83 0.540 -0.570 -19.955 656 HH21 ARG 83 1HH2 ARG 83 -0.792 -2.205 -17.160 657 HH22 ARG 83 2HH2 ARG 83 -0.743 -2.141 -18.908 658 H THR 84 H THR 84 5.870 -1.101 -13.971 659 HA THR 84 HA THR 84 5.349 -3.870 -13.303 660 HB THR 84 HB THR 84 7.740 -4.225 -13.814 661 HG1 THR 84 HG1 THR 84 7.782 -1.450 -13.461 662 HG21 THR 84 1HG2 THR 84 7.729 -3.400 -16.135 663 HG22 THR 84 2HG2 THR 84 6.134 -4.050 -15.684 664 HG23 THR 84 3HG2 THR 84 6.395 -2.291 -15.738 665 H ARG 85 H ARG 85 6.732 -1.116 -11.632 666 HA ARG 85 HA ARG 85 7.883 -2.577 -9.445 667 HB2 ARG 85 1HB ARG 85 6.829 0.255 -9.691 668 HB3 ARG 85 2HB ARG 85 7.558 -0.363 -8.217 669 HG2 ARG 85 1HG ARG 85 9.665 -0.756 -9.379 670 HG3 ARG 85 2HG ARG 85 8.936 -0.214 -10.911 671 HD2 ARG 85 1HD ARG 85 8.471 1.967 -9.830 672 HD3 ARG 85 2HD ARG 85 9.395 1.403 -8.419 673 HE ARG 85 HE ARG 85 10.437 2.156 -11.049 674 HH11 ARG 85 1HH1 ARG 85 11.060 0.682 -7.922 675 HH12 ARG 85 2HH1 ARG 85 12.794 0.878 -8.033 676 HH21 ARG 85 1HH2 ARG 85 12.691 2.405 -11.183 677 HH22 ARG 85 2HH2 ARG 85 13.719 1.853 -9.880 678 H VAL 86 H VAL 86 4.643 -1.253 -10.066 679 HA VAL 86 HA VAL 86 3.500 -1.911 -7.541 680 HB VAL 86 HB VAL 86 2.264 -1.746 -10.321 681 HG11 VAL 86 1HG1 VAL 86 0.099 -1.592 -9.191 682 HG12 VAL 86 2HG1 VAL 86 0.887 -3.163 -8.909 683 HG13 VAL 86 3HG1 VAL 86 0.891 -1.923 -7.632 684 HG21 VAL 86 1HG2 VAL 86 1.472 0.452 -9.504 685 HG22 VAL 86 2HG2 VAL 86 2.311 0.178 -7.960 686 HG23 VAL 86 3HG2 VAL 86 3.248 0.352 -9.463 687 H LEU 87 H LEU 87 3.890 -3.785 -10.542 688 HA LEU 87 HA LEU 87 2.529 -6.129 -9.663 689 HB2 LEU 87 1HB LEU 87 4.827 -5.743 -11.609 690 HB3 LEU 87 2HB LEU 87 3.999 -7.285 -11.368 691 HG LEU 87 HG LEU 87 2.664 -4.739 -12.353 692 HD11 LEU 87 1HD1 LEU 87 2.654 -5.863 -14.536 693 HD12 LEU 87 2HD1 LEU 87 4.310 -5.580 -13.949 694 HD13 LEU 87 3HD1 LEU 87 3.596 -7.207 -13.848 695 HD21 LEU 87 1HD2 LEU 87 0.807 -6.280 -12.888 696 HD22 LEU 87 2HD2 LEU 87 1.722 -7.631 -12.178 697 HD23 LEU 87 3HD2 LEU 87 1.166 -6.292 -11.145 698 H LYS 88 H LYS 88 5.838 -4.974 -9.188 699 HA LYS 88 HA LYS 88 6.808 -7.398 -7.969 700 HB2 LYS 88 1HB LYS 88 7.756 -4.513 -7.854 701 HB3 LYS 88 2HB LYS 88 8.595 -5.825 -7.038 702 HG2 LYS 88 1HG LYS 88 8.978 -6.947 -9.189 703 HG3 LYS 88 2HG LYS 88 8.096 -5.662 -10.025 704 HD2 LYS 88 1HD LYS 88 9.747 -4.002 -9.223 705 HD3 LYS 88 2HD LYS 88 10.630 -5.287 -8.385 706 HE2 LYS 88 1HE LYS 88 11.038 -6.422 -10.539 707 HE3 LYS 88 2HE LYS 88 10.141 -5.157 -11.384 708 HZ1 LYS 88 1HZ LYS 88 12.495 -4.785 -11.479 709 HZ2 LYS 88 2HZ LYS 88 11.774 -3.573 -10.623 710 HZ3 LYS 88 3HZ LYS 88 12.613 -4.755 -9.835 711 H ILE 89 H ILE 89 5.208 -4.496 -6.743 712 HA ILE 89 HA ILE 89 5.562 -5.080 -3.963 713 HB ILE 89 HB ILE 89 3.433 -3.471 -5.429 714 HG12 ILE 89 1HG1 ILE 89 5.789 -2.529 -3.785 715 HG13 ILE 89 2HG1 ILE 89 5.833 -2.715 -5.532 716 HG21 ILE 89 1HG2 ILE 89 2.880 -2.522 -3.225 717 HG22 ILE 89 2HG2 ILE 89 2.560 -4.271 -3.266 718 HG23 ILE 89 3HG2 ILE 89 4.016 -3.652 -2.450 719 HD11 ILE 89 1HD1 ILE 89 5.411 -0.404 -4.907 720 HD12 ILE 89 2HD1 ILE 89 4.007 -1.087 -5.764 721 HD13 ILE 89 3HD1 ILE 89 3.965 -0.897 -3.995 722 H SER 90 H SER 90 4.773 -6.648 -2.771 723 HA SER 90 HA SER 90 2.019 -7.542 -3.078 724 HB2 SER 90 1HB SER 90 3.067 -8.852 -4.861 725 HB3 SER 90 2HB SER 90 4.296 -9.436 -3.747 726 HG SER 90 HG SER 90 1.559 -9.974 -3.831 Start of MODEL 8 1 H1 MET 1 1H MET 1 2.207 0.548 -2.801 2 H2 MET 1 2H MET 1 3.612 1.367 -2.947 3 H3 MET 1 3H MET 1 2.546 1.778 -1.782 4 HA MET 1 HA MET 1 2.143 2.019 -4.655 5 HB2 MET 1 1HB MET 1 0.348 2.714 -2.300 6 HB3 MET 1 2HB MET 1 0.058 3.254 -3.948 7 HG2 MET 1 1HG MET 1 0.113 0.378 -2.992 8 HG3 MET 1 2HG MET 1 -1.318 1.324 -3.408 9 HE1 MET 1 1HE MET 1 -1.020 1.757 -7.259 10 HE2 MET 1 2HE MET 1 -2.050 1.962 -5.820 11 HE3 MET 1 3HE MET 1 -0.548 2.905 -5.984 12 H ALA 2 H ALA 2 3.610 3.218 -1.859 13 HA ALA 2 HA ALA 2 3.431 6.027 -2.348 14 HB1 ALA 2 1HB ALA 2 5.429 6.186 -0.898 15 HB2 ALA 2 2HB ALA 2 4.194 5.110 -0.204 16 HB3 ALA 2 3HB ALA 2 5.630 4.421 -0.996 17 H GLU 3 H GLU 3 5.312 3.491 -3.811 18 HA GLU 3 HA GLU 3 7.309 5.164 -5.023 19 HB2 GLU 3 1HB GLU 3 7.775 3.255 -6.450 20 HB3 GLU 3 2HB GLU 3 7.502 2.686 -4.809 21 HG2 GLU 3 1HG GLU 3 5.237 2.716 -6.782 22 HG3 GLU 3 2HG GLU 3 6.448 1.436 -6.834 23 H TYR 4 H TYR 4 3.962 4.656 -5.663 24 HA TYR 4 HA TYR 4 4.231 5.964 -8.321 25 HB2 TYR 4 1HB TYR 4 1.839 4.681 -6.940 26 HB3 TYR 4 2HB TYR 4 1.769 5.482 -8.505 27 HD1 TYR 4 HD1 TYR 4 2.083 2.397 -6.908 28 HD2 TYR 4 HD2 TYR 4 3.614 4.613 -10.247 29 HE1 TYR 4 HE1 TYR 4 2.719 0.283 -8.019 30 HE2 TYR 4 HE2 TYR 4 4.249 2.499 -11.359 31 HH TYR 4 HH TYR 4 4.107 0.271 -11.294 32 H GLY 5 H GLY 5 2.938 6.437 -5.074 33 HA2 GLY 5 1HA GLY 5 1.488 8.827 -5.470 34 HA3 GLY 5 2HA GLY 5 2.298 8.379 -3.982 35 H THR 6 H THR 6 4.972 8.302 -4.874 36 HA THR 6 HA THR 6 5.739 11.038 -4.789 37 HB THR 6 HB THR 6 7.313 8.610 -5.752 38 HG1 THR 6 HG1 THR 6 6.798 8.369 -3.609 39 HG21 THR 6 1HG2 THR 6 9.301 9.992 -5.304 40 HG22 THR 6 2HG2 THR 6 8.287 10.728 -6.569 41 HG23 THR 6 3HG2 THR 6 8.256 11.377 -4.914 42 H LEU 7 H LEU 7 5.448 8.775 -7.526 43 HA LEU 7 HA LEU 7 6.413 10.646 -9.484 44 HB2 LEU 7 1HB LEU 7 4.670 8.172 -9.752 45 HB3 LEU 7 2HB LEU 7 5.347 9.066 -11.118 46 HG LEU 7 HG LEU 7 6.993 7.684 -8.969 47 HD11 LEU 7 1HD1 LEU 7 7.447 6.016 -10.711 48 HD12 LEU 7 2HD1 LEU 7 5.717 6.085 -10.302 49 HD13 LEU 7 3HD1 LEU 7 6.309 6.843 -11.800 50 HD21 LEU 7 1HD2 LEU 7 8.846 8.094 -10.552 51 HD22 LEU 7 2HD2 LEU 7 7.728 8.951 -11.640 52 HD23 LEU 7 3HD2 LEU 7 8.096 9.623 -10.034 53 H LEU 8 H LEU 8 3.213 9.874 -8.189 54 HA LEU 8 HA LEU 8 1.760 11.525 -10.055 55 HB2 LEU 8 1HB LEU 8 1.085 10.508 -7.274 56 HB3 LEU 8 2HB LEU 8 -0.049 11.394 -8.298 57 HG LEU 8 HG LEU 8 1.222 8.750 -9.085 58 HD11 LEU 8 1HD1 LEU 8 -0.937 7.754 -8.477 59 HD12 LEU 8 2HD1 LEU 8 -0.129 8.482 -7.069 60 HD13 LEU 8 3HD1 LEU 8 -1.486 9.326 -7.851 61 HD21 LEU 8 1HD2 LEU 8 -0.599 8.750 -10.756 62 HD22 LEU 8 2HD2 LEU 8 -1.145 10.336 -10.163 63 HD23 LEU 8 3HD2 LEU 8 0.445 10.178 -10.948 64 H GLN 9 H GLN 9 3.323 12.089 -6.934 65 HA GLN 9 HA GLN 9 2.454 14.819 -6.663 66 HB2 GLN 9 1HB GLN 9 3.454 13.443 -4.816 67 HB3 GLN 9 2HB GLN 9 5.009 13.524 -5.632 68 HG2 GLN 9 1HG GLN 9 4.944 15.139 -3.859 69 HG3 GLN 9 2HG GLN 9 4.961 15.993 -5.427 70 HE21 GLN 9 1HE2 GLN 9 2.251 17.934 -4.499 71 HE22 GLN 9 2HE2 GLN 9 3.812 17.800 -5.240 72 H ASP 10 H ASP 10 5.174 13.257 -8.307 73 HA ASP 10 HA ASP 10 6.572 15.624 -9.040 74 HB2 ASP 10 1HB ASP 10 6.353 12.894 -10.356 75 HB3 ASP 10 2HB ASP 10 7.383 14.168 -10.995 76 H LEU 11 H LEU 11 3.848 13.921 -10.562 77 HA LEU 11 HA LEU 11 3.552 15.615 -12.819 78 HB2 LEU 11 1HB LEU 11 1.540 14.102 -11.128 79 HB3 LEU 11 2HB LEU 11 1.081 15.001 -12.578 80 HG LEU 11 HG LEU 11 3.051 12.686 -12.524 81 HD11 LEU 11 1HD1 LEU 11 1.231 11.418 -13.577 82 HD12 LEU 11 2HD1 LEU 11 0.788 11.973 -11.947 83 HD13 LEU 11 3HD1 LEU 11 0.144 12.811 -13.379 84 HD21 LEU 11 1HD2 LEU 11 2.788 12.800 -14.980 85 HD22 LEU 11 2HD2 LEU 11 1.722 14.214 -14.802 86 HD23 LEU 11 3HD2 LEU 11 3.436 14.327 -14.334 87 H THR 12 H THR 12 2.108 15.870 -9.553 88 HA THR 12 HA THR 12 0.567 18.180 -10.055 89 HB THR 12 HB THR 12 1.873 17.296 -7.445 90 HG1 THR 12 HG1 THR 12 0.474 15.722 -8.112 91 HG21 THR 12 1HG2 THR 12 0.112 18.644 -6.372 92 HG22 THR 12 2HG2 THR 12 1.160 19.661 -7.388 93 HG23 THR 12 3HG2 THR 12 -0.453 19.186 -7.970 94 H ASN 13 H ASN 13 3.962 17.852 -9.094 95 HA ASN 13 HA ASN 13 4.237 20.721 -8.609 96 HB2 ASN 13 1HB ASN 13 6.226 18.434 -8.697 97 HB3 ASN 13 2HB ASN 13 6.692 20.102 -8.398 98 HD21 ASN 13 1HD2 ASN 13 6.166 18.289 -5.180 99 HD22 ASN 13 2HD2 ASN 13 7.111 17.991 -6.601 100 H ASN 14 H ASN 14 4.271 18.731 -11.354 101 HA ASN 14 HA ASN 14 5.608 20.868 -12.925 102 HB2 ASN 14 1HB ASN 14 6.330 17.922 -13.081 103 HB3 ASN 14 2HB ASN 14 6.917 19.174 -14.167 104 HD21 ASN 14 1HD2 ASN 14 8.633 18.562 -10.569 105 HD22 ASN 14 2HD2 ASN 14 7.305 17.616 -11.152 106 H ILE 15 H ILE 15 3.142 21.051 -13.139 107 HA ILE 15 HA ILE 15 2.491 19.869 -15.750 108 HB ILE 15 HB ILE 15 1.632 18.201 -14.063 109 HG12 ILE 15 1HG1 ILE 15 -0.627 19.572 -15.518 110 HG13 ILE 15 2HG1 ILE 15 0.628 18.682 -16.362 111 HG21 ILE 15 1HG2 ILE 15 -0.340 18.830 -12.730 112 HG22 ILE 15 2HG2 ILE 15 1.080 19.797 -12.267 113 HG23 ILE 15 3HG2 ILE 15 -0.187 20.512 -13.291 114 HD11 ILE 15 1HD1 ILE 15 -1.339 17.298 -16.005 115 HD12 ILE 15 2HD1 ILE 15 0.053 16.652 -15.103 116 HD13 ILE 15 3HD1 ILE 15 -1.221 17.554 -14.248 117 H THR 16 H THR 16 1.050 21.053 -16.938 118 HA THR 16 HA THR 16 0.512 23.755 -15.869 119 HB THR 16 HB THR 16 -0.026 24.365 -18.179 120 HG1 THR 16 HG1 THR 16 0.652 21.896 -19.241 121 HG21 THR 16 1HG2 THR 16 2.139 23.868 -19.244 122 HG22 THR 16 2HG2 THR 16 2.358 24.301 -17.533 123 HG23 THR 16 3HG2 THR 16 2.447 22.597 -18.038 124 H LEU 17 H LEU 17 -1.587 24.793 -16.456 125 HA LEU 17 HA LEU 17 -3.746 23.315 -15.299 126 HB2 LEU 17 1HB LEU 17 -3.683 25.892 -16.904 127 HB3 LEU 17 2HB LEU 17 -5.140 25.257 -16.131 128 HG LEU 17 HG LEU 17 -2.601 26.048 -14.660 129 HD11 LEU 17 1HD1 LEU 17 -3.904 27.999 -13.935 130 HD12 LEU 17 2HD1 LEU 17 -3.689 27.970 -15.701 131 HD13 LEU 17 3HD1 LEU 17 -5.247 27.491 -14.987 132 HD21 LEU 17 1HD2 LEU 17 -4.047 25.837 -12.667 133 HD22 LEU 17 2HD2 LEU 17 -5.393 25.299 -13.700 134 HD23 LEU 17 3HD2 LEU 17 -3.934 24.291 -13.543 135 H GLU 18 H GLU 18 -2.759 23.941 -18.631 136 HA GLU 18 HA GLU 18 -5.136 22.916 -19.870 137 HB2 GLU 18 1HB GLU 18 -3.507 24.305 -21.088 138 HB3 GLU 18 2HB GLU 18 -2.275 23.067 -20.900 139 HG2 GLU 18 1HG GLU 18 -3.146 22.961 -23.122 140 HG3 GLU 18 2HG GLU 18 -3.651 21.515 -22.251 141 H ASP 19 H ASP 19 -2.027 21.412 -18.983 142 HA ASP 19 HA ASP 19 -2.629 18.814 -19.981 143 HB2 ASP 19 1HB ASP 19 -0.814 19.776 -17.744 144 HB3 ASP 19 2HB ASP 19 -0.932 18.081 -18.195 145 H LEU 20 H LEU 20 -3.312 20.380 -16.870 146 HA LEU 20 HA LEU 20 -4.383 18.070 -15.571 147 HB2 LEU 20 1HB LEU 20 -4.854 21.042 -15.205 148 HB3 LEU 20 2HB LEU 20 -5.617 19.826 -14.179 149 HG LEU 20 HG LEU 20 -2.613 20.161 -14.477 150 HD11 LEU 20 1HD1 LEU 20 -2.723 21.231 -12.271 151 HD12 LEU 20 2HD1 LEU 20 -3.624 22.156 -13.496 152 HD13 LEU 20 3HD1 LEU 20 -4.500 21.148 -12.319 153 HD21 LEU 20 1HD2 LEU 20 -2.574 18.732 -12.460 154 HD22 LEU 20 2HD2 LEU 20 -4.349 18.613 -12.510 155 HD23 LEU 20 3HD2 LEU 20 -3.373 17.902 -13.817 156 H GLU 21 H GLU 21 -5.851 20.571 -17.625 157 HA GLU 21 HA GLU 21 -8.546 19.620 -17.338 158 HB2 GLU 21 1HB GLU 21 -7.153 21.301 -19.449 159 HB3 GLU 21 2HB GLU 21 -8.860 20.893 -19.553 160 HG2 GLU 21 1HG GLU 21 -7.563 22.388 -17.264 161 HG3 GLU 21 2HG GLU 21 -8.443 23.126 -18.601 162 H GLN 22 H GLN 22 -5.886 18.801 -19.517 163 HA GLN 22 HA GLN 22 -7.409 17.092 -21.247 164 HB2 GLN 22 1HB GLN 22 -4.457 17.161 -20.523 165 HB3 GLN 22 2HB GLN 22 -5.125 16.053 -21.713 166 HG2 GLN 22 1HG GLN 22 -5.820 17.874 -23.123 167 HG3 GLN 22 2HG GLN 22 -5.351 19.064 -21.876 168 HE21 GLN 22 1HE2 GLN 22 -2.701 18.780 -24.521 169 HE22 GLN 22 2HE2 GLN 22 -4.406 19.078 -24.554 170 H LEU 23 H LEU 23 -5.604 16.506 -18.235 171 HA LEU 23 HA LEU 23 -6.138 13.712 -18.065 172 HB2 LEU 23 1HB LEU 23 -5.732 15.821 -15.919 173 HB3 LEU 23 2HB LEU 23 -5.854 14.093 -15.578 174 HG LEU 23 HG LEU 23 -3.723 15.327 -17.358 175 HD11 LEU 23 1HD1 LEU 23 -2.228 15.016 -15.436 176 HD12 LEU 23 2HD1 LEU 23 -3.537 16.165 -15.072 177 HD13 LEU 23 3HD1 LEU 23 -3.611 14.501 -14.442 178 HD21 LEU 23 1HD2 LEU 23 -2.641 13.128 -17.037 179 HD22 LEU 23 2HD2 LEU 23 -4.031 12.585 -16.066 180 HD23 LEU 23 3HD2 LEU 23 -4.242 12.948 -17.795 181 H LYS 24 H LYS 24 -7.985 16.554 -16.981 182 HA LYS 24 HA LYS 24 -10.047 15.066 -15.661 183 HB2 LYS 24 1HB LYS 24 -9.977 17.861 -16.853 184 HB3 LYS 24 2HB LYS 24 -11.385 17.221 -16.015 185 HG2 LYS 24 1HG LYS 24 -10.221 17.085 -13.944 186 HG3 LYS 24 2HG LYS 24 -8.652 17.337 -14.723 187 HD2 LYS 24 1HD LYS 24 -9.389 19.394 -13.625 188 HD3 LYS 24 2HD LYS 24 -9.348 19.622 -15.379 189 HE2 LYS 24 1HE LYS 24 -11.766 19.313 -15.518 190 HE3 LYS 24 2HE LYS 24 -11.851 18.939 -13.795 191 HZ1 LYS 24 1HZ LYS 24 -12.461 21.201 -14.238 192 HZ2 LYS 24 2HZ LYS 24 -11.082 21.164 -13.333 193 HZ3 LYS 24 3HZ LYS 24 -11.004 21.514 -14.943 194 H SER 25 H SER 25 -9.577 16.094 -19.005 195 HA SER 25 HA SER 25 -12.244 15.309 -19.845 196 HB2 SER 25 1HB SER 25 -9.699 15.855 -21.407 197 HB3 SER 25 2HB SER 25 -11.266 15.551 -22.141 198 HG SER 25 HG SER 25 -10.458 17.663 -20.490 199 H ALA 26 H ALA 26 -9.005 13.835 -19.969 200 HA ALA 26 HA ALA 26 -9.782 11.592 -21.554 201 HB1 ALA 26 1HB ALA 26 -7.663 10.581 -20.775 202 HB2 ALA 26 2HB ALA 26 -7.440 12.270 -21.288 203 HB3 ALA 26 3HB ALA 26 -7.507 11.868 -19.558 204 H CYS 27 H CYS 27 -9.948 12.243 -18.110 205 HA CYS 27 HA CYS 27 -10.326 9.450 -17.381 206 HB2 CYS 27 1HB CYS 27 -10.570 10.233 -15.145 207 HB3 CYS 27 2HB CYS 27 -9.331 11.243 -15.879 208 HG CYS 27 HG CYS 27 -12.526 11.933 -15.555 209 H LYS 28 H LYS 28 -12.300 11.755 -18.823 210 HA LYS 28 HA LYS 28 -14.694 11.622 -17.336 211 HB2 LYS 28 1HB LYS 28 -14.238 13.252 -19.167 212 HB3 LYS 28 2HB LYS 28 -14.386 11.957 -20.346 213 HG2 LYS 28 1HG LYS 28 -16.734 11.631 -19.741 214 HG3 LYS 28 2HG LYS 28 -16.599 12.870 -18.485 215 HD2 LYS 28 1HD LYS 28 -16.062 14.563 -20.196 216 HD3 LYS 28 2HD LYS 28 -16.155 13.327 -21.459 217 HE2 LYS 28 1HE LYS 28 -18.532 12.925 -20.882 218 HE3 LYS 28 2HE LYS 28 -18.439 14.176 -19.639 219 HZ1 LYS 28 1HZ LYS 28 -19.372 15.016 -21.666 220 HZ2 LYS 28 2HZ LYS 28 -17.936 15.769 -21.362 221 HZ3 LYS 28 3HZ LYS 28 -18.025 14.600 -22.523 222 H GLU 29 H GLU 29 -13.314 9.365 -19.633 223 HA GLU 29 HA GLU 29 -15.711 7.966 -20.295 224 HB2 GLU 29 1HB GLU 29 -12.800 7.083 -20.259 225 HB3 GLU 29 2HB GLU 29 -14.105 6.079 -20.875 226 HG2 GLU 29 1HG GLU 29 -14.634 7.791 -22.559 227 HG3 GLU 29 2HG GLU 29 -13.335 8.806 -21.938 228 H ASP 30 H ASP 30 -13.521 7.758 -17.556 229 HA ASP 30 HA ASP 30 -15.014 5.368 -16.579 230 HB2 ASP 30 1HB ASP 30 -12.289 6.465 -15.778 231 HB3 ASP 30 2HB ASP 30 -13.071 5.086 -15.017 232 H ILE 31 H ILE 31 -14.177 8.696 -15.891 233 HA ILE 31 HA ILE 31 -15.529 8.450 -13.237 234 HB ILE 31 HB ILE 31 -13.361 10.396 -14.134 235 HG12 ILE 31 1HG1 ILE 31 -13.266 8.267 -11.988 236 HG13 ILE 31 2HG1 ILE 31 -12.673 8.032 -13.624 237 HG21 ILE 31 1HG2 ILE 31 -13.442 11.227 -11.818 238 HG22 ILE 31 2HG2 ILE 31 -14.997 11.481 -12.643 239 HG23 ILE 31 3HG2 ILE 31 -14.817 10.151 -11.475 240 HD11 ILE 31 1HD1 ILE 31 -10.859 8.596 -12.105 241 HD12 ILE 31 2HD1 ILE 31 -11.077 9.876 -13.324 242 HD13 ILE 31 3HD1 ILE 31 -11.678 10.113 -11.666 243 HA PRO 32 HA PRO 32 -18.784 10.837 -14.934 244 HB2 PRO 32 1HB PRO 32 -19.031 11.611 -11.997 245 HB3 PRO 32 2HB PRO 32 -20.302 11.124 -13.127 246 HG2 PRO 32 1HG PRO 32 -19.418 9.325 -11.381 247 HG3 PRO 32 2HG PRO 32 -19.683 8.826 -13.054 248 HD2 PRO 32 1HD PRO 32 -17.078 9.521 -11.648 249 HD3 PRO 32 2HD PRO 32 -17.420 8.192 -12.828 250 H SER 33 H SER 33 -19.117 12.994 -15.480 251 HA SER 33 HA SER 33 -16.797 14.635 -15.455 252 HB2 SER 33 1HB SER 33 -18.168 16.295 -16.550 253 HB3 SER 33 2HB SER 33 -18.587 14.708 -17.179 254 HG SER 33 HG SER 33 -20.031 16.472 -15.675 255 H GLU 34 H GLU 34 -19.553 14.452 -13.300 256 HA GLU 34 HA GLU 34 -19.170 16.949 -11.960 257 HB2 GLU 34 1HB GLU 34 -20.347 14.305 -11.019 258 HB3 GLU 34 2HB GLU 34 -20.370 15.773 -10.051 259 HG2 GLU 34 1HG GLU 34 -21.698 16.911 -11.758 260 HG3 GLU 34 2HG GLU 34 -21.634 15.479 -12.784 261 H LYS 35 H LYS 35 -17.601 13.816 -11.680 262 HA LYS 35 HA LYS 35 -16.096 14.746 -9.299 263 HB2 LYS 35 1HB LYS 35 -16.157 12.050 -10.711 264 HB3 LYS 35 2HB LYS 35 -15.198 12.410 -9.282 265 HG2 LYS 35 1HG LYS 35 -18.225 12.435 -9.468 266 HG3 LYS 35 2HG LYS 35 -17.218 11.222 -8.665 267 HD2 LYS 35 1HD LYS 35 -16.371 12.980 -7.118 268 HD3 LYS 35 2HD LYS 35 -17.439 14.156 -7.897 269 HE2 LYS 35 1HE LYS 35 -19.401 12.755 -7.271 270 HE3 LYS 35 2HE LYS 35 -18.317 11.636 -6.440 271 HZ1 LYS 35 1HZ LYS 35 -19.295 13.200 -4.929 272 HZ2 LYS 35 2HZ LYS 35 -17.664 13.434 -4.992 273 HZ3 LYS 35 3HZ LYS 35 -18.677 14.479 -5.767 274 H SER 36 H SER 36 -15.755 14.284 -12.728 275 HA SER 36 HA SER 36 -12.926 14.392 -12.936 276 HB2 SER 36 1HB SER 36 -14.375 13.979 -14.858 277 HB3 SER 36 2HB SER 36 -15.076 15.584 -14.715 278 HG SER 36 HG SER 36 -12.900 14.829 -15.973 279 H GLU 37 H GLU 37 -15.343 16.983 -12.575 280 HA GLU 37 HA GLU 37 -13.499 19.155 -12.758 281 HB2 GLU 37 1HB GLU 37 -16.195 18.887 -11.377 282 HB3 GLU 37 2HB GLU 37 -15.305 20.402 -11.455 283 HG2 GLU 37 1HG GLU 37 -16.330 18.805 -13.812 284 HG3 GLU 37 2HG GLU 37 -17.025 20.290 -13.167 285 H GLU 38 H GLU 38 -14.186 16.881 -10.232 286 HA GLU 38 HA GLU 38 -13.069 18.570 -8.114 287 HB2 GLU 38 1HB GLU 38 -13.911 15.645 -8.164 288 HB3 GLU 38 2HB GLU 38 -13.325 16.477 -6.731 289 HG2 GLU 38 1HG GLU 38 -15.215 18.072 -6.912 290 HG3 GLU 38 2HG GLU 38 -15.815 17.173 -8.304 291 H ILE 39 H ILE 39 -11.791 16.724 -10.601 292 HA ILE 39 HA ILE 39 -9.431 15.777 -9.151 293 HB ILE 39 HB ILE 39 -10.109 15.882 -12.118 294 HG12 ILE 39 1HG1 ILE 39 -9.923 13.536 -10.215 295 HG13 ILE 39 2HG1 ILE 39 -11.422 14.320 -10.689 296 HG21 ILE 39 1HG2 ILE 39 -8.120 14.467 -12.439 297 HG22 ILE 39 2HG2 ILE 39 -7.673 16.059 -11.784 298 HG23 ILE 39 3HG2 ILE 39 -7.716 14.637 -10.715 299 HD11 ILE 39 1HD1 ILE 39 -11.044 12.299 -11.985 300 HD12 ILE 39 2HD1 ILE 39 -11.004 13.734 -13.038 301 HD13 ILE 39 3HD1 ILE 39 -9.486 12.937 -12.559 302 H THR 40 H THR 40 -7.803 17.008 -8.566 303 HA THR 40 HA THR 40 -7.085 19.298 -10.351 304 HB THR 40 HB THR 40 -6.120 20.418 -8.370 305 HG1 THR 40 HG1 THR 40 -7.316 18.373 -6.791 306 HG21 THR 40 1HG2 THR 40 -8.227 20.933 -7.201 307 HG22 THR 40 2HG2 THR 40 -8.478 20.860 -8.961 308 HG23 THR 40 3HG2 THR 40 -8.988 19.502 -7.932 309 H THR 41 H THR 41 -6.125 16.324 -8.966 310 HA THR 41 HA THR 41 -3.392 16.753 -10.080 311 HB THR 41 HB THR 41 -2.392 15.478 -8.256 312 HG1 THR 41 HG1 THR 41 -3.593 14.326 -6.942 313 HG21 THR 41 1HG2 THR 41 -2.777 17.033 -6.385 314 HG22 THR 41 2HG2 THR 41 -2.648 17.912 -7.927 315 HG23 THR 41 3HG2 THR 41 -4.242 17.643 -7.189 316 H GLY 42 H GLY 42 -2.239 14.665 -10.480 317 HA2 GLY 42 1HA GLY 42 -3.863 12.804 -11.959 318 HA3 GLY 42 2HA GLY 42 -2.168 12.606 -11.556 319 H SER 43 H SER 43 -2.671 12.955 -8.647 320 HA SER 43 HA SER 43 -3.250 10.197 -7.998 321 HB2 SER 43 1HB SER 43 -2.881 10.867 -5.705 322 HB3 SER 43 2HB SER 43 -1.662 11.620 -6.722 323 HG SER 43 HG SER 43 -3.452 12.734 -5.132 324 H ALA 44 H ALA 44 -5.073 13.219 -7.926 325 HA ALA 44 HA ALA 44 -7.371 12.228 -6.564 326 HB1 ALA 44 1HB ALA 44 -8.572 14.072 -7.693 327 HB2 ALA 44 2HB ALA 44 -7.023 14.616 -7.007 328 HB3 ALA 44 3HB ALA 44 -7.169 14.324 -8.756 329 H TRP 45 H TRP 45 -6.655 12.410 -10.069 330 HA TRP 45 HA TRP 45 -8.894 11.068 -11.054 331 HB2 TRP 45 1HB TRP 45 -7.212 12.013 -12.539 332 HB3 TRP 45 2HB TRP 45 -5.992 10.893 -11.948 333 HD1 TRP 45 HD1 TRP 45 -8.530 8.508 -12.125 334 HE1 TRP 45 HE1 TRP 45 -8.768 7.368 -14.433 335 HE3 TRP 45 HE3 TRP 45 -5.988 11.940 -14.966 336 HZ2 TRP 45 HZ2 TRP 45 -7.977 7.881 -17.094 337 HZ3 TRP 45 HZ3 TRP 45 -5.763 11.554 -17.387 338 HH2 TRP 45 HH2 TRP 45 -6.742 9.560 -18.442 339 H PHE 46 H PHE 46 -5.839 9.614 -9.888 340 HA PHE 46 HA PHE 46 -6.583 6.917 -10.355 341 HB2 PHE 46 1HB PHE 46 -4.267 7.626 -9.873 342 HB3 PHE 46 2HB PHE 46 -4.723 8.065 -8.235 343 HD1 PHE 46 HD1 PHE 46 -4.617 5.166 -10.575 344 HD2 PHE 46 HD2 PHE 46 -4.595 6.502 -6.517 345 HE1 PHE 46 HE1 PHE 46 -4.117 2.866 -9.821 346 HE2 PHE 46 HE2 PHE 46 -4.093 4.204 -5.760 347 HZ PHE 46 HZ PHE 46 -3.855 2.384 -7.413 348 H SER 47 H SER 47 -6.973 8.976 -7.468 349 HA SER 47 HA SER 47 -7.929 6.886 -5.769 350 HB2 SER 47 1HB SER 47 -8.558 8.640 -4.258 351 HB3 SER 47 2HB SER 47 -7.042 9.102 -5.015 352 HG SER 47 HG SER 47 -8.635 10.096 -6.616 353 H PHE 48 H PHE 48 -9.498 8.944 -8.135 354 HA PHE 48 HA PHE 48 -12.198 8.346 -7.271 355 HB2 PHE 48 1HB PHE 48 -10.945 9.612 -9.701 356 HB3 PHE 48 2HB PHE 48 -12.626 9.108 -9.775 357 HD1 PHE 48 HD1 PHE 48 -10.663 11.844 -9.290 358 HD2 PHE 48 HD2 PHE 48 -13.907 9.798 -7.407 359 HE1 PHE 48 HE1 PHE 48 -11.339 13.945 -8.177 360 HE2 PHE 48 HE2 PHE 48 -14.588 11.898 -6.293 361 HZ PHE 48 HZ PHE 48 -13.302 13.972 -6.679 362 H LEU 49 H LEU 49 -9.914 6.936 -9.576 363 HA LEU 49 HA LEU 49 -11.652 5.044 -10.775 364 HB2 LEU 49 1HB LEU 49 -8.697 4.899 -10.100 365 HB3 LEU 49 2HB LEU 49 -9.539 3.678 -11.059 366 HG LEU 49 HG LEU 49 -9.291 6.608 -11.827 367 HD11 LEU 49 1HD1 LEU 49 -7.656 5.804 -13.472 368 HD12 LEU 49 2HD1 LEU 49 -7.119 5.493 -11.804 369 HD13 LEU 49 3HD1 LEU 49 -7.776 4.165 -12.790 370 HD21 LEU 49 1HD2 LEU 49 -10.107 5.789 -14.012 371 HD22 LEU 49 2HD2 LEU 49 -10.263 4.148 -13.339 372 HD23 LEU 49 3HD2 LEU 49 -11.291 5.463 -12.723 373 H GLU 50 H GLU 50 -9.895 4.984 -7.694 374 HA GLU 50 HA GLU 50 -10.694 2.314 -6.974 375 HB2 GLU 50 1HB GLU 50 -9.842 4.710 -5.303 376 HB3 GLU 50 2HB GLU 50 -10.165 3.122 -4.622 377 HG2 GLU 50 1HG GLU 50 -8.370 2.150 -5.962 378 HG3 GLU 50 2HG GLU 50 -8.073 3.709 -6.728 379 H SER 51 H SER 51 -12.076 5.540 -6.351 380 HA SER 51 HA SER 51 -14.069 4.535 -4.519 381 HB2 SER 51 1HB SER 51 -14.930 6.772 -4.518 382 HB3 SER 51 2HB SER 51 -13.176 6.878 -4.549 383 HG SER 51 HG SER 51 -14.883 7.022 -6.784 384 H HIS 52 H HIS 52 -13.873 4.860 -7.973 385 HA HIS 52 HA HIS 52 -16.817 4.433 -8.236 386 HB2 HIS 52 1HB HIS 52 -14.712 5.244 -10.274 387 HB3 HIS 52 2HB HIS 52 -16.397 4.921 -10.663 388 HD1 HIS 52 HD1 HIS 52 -18.044 6.442 -8.789 389 HD2 HIS 52 HD2 HIS 52 -14.337 8.031 -10.010 390 HE1 HIS 52 HE1 HIS 52 -18.212 8.859 -8.478 391 H ASN 53 H ASN 53 -14.287 2.544 -7.708 392 HA ASN 53 HA ASN 53 -13.787 0.345 -8.176 393 HB2 ASN 53 1HB ASN 53 -16.711 0.319 -8.995 394 HB3 ASN 53 2HB ASN 53 -15.720 -1.117 -8.771 395 HD21 ASN 53 1HD2 ASN 53 -17.707 0.090 -5.693 396 HD22 ASN 53 2HD2 ASN 53 -18.126 0.180 -7.371 397 H LYS 54 H LYS 54 -13.049 2.175 -10.151 398 HA LYS 54 HA LYS 54 -13.543 0.659 -12.666 399 HB2 LYS 54 1HB LYS 54 -12.249 3.381 -12.229 400 HB3 LYS 54 2HB LYS 54 -12.506 2.617 -13.790 401 HG2 LYS 54 1HG LYS 54 -14.686 3.467 -11.861 402 HG3 LYS 54 2HG LYS 54 -14.195 4.324 -13.329 403 HD2 LYS 54 1HD LYS 54 -14.827 2.342 -14.685 404 HD3 LYS 54 2HD LYS 54 -15.347 1.511 -13.211 405 HE2 LYS 54 1HE LYS 54 -17.002 3.325 -12.801 406 HE3 LYS 54 2HE LYS 54 -16.509 4.098 -14.309 407 HZ1 LYS 54 1HZ LYS 54 -18.461 2.758 -14.601 408 HZ2 LYS 54 2HZ LYS 54 -17.216 2.127 -15.482 409 HZ3 LYS 54 3HZ LYS 54 -17.678 1.406 -14.072 410 H LEU 55 H LEU 55 -11.041 1.604 -10.379 411 HA LEU 55 HA LEU 55 -8.818 0.566 -11.859 412 HB2 LEU 55 1HB LEU 55 -8.596 2.050 -9.892 413 HB3 LEU 55 2HB LEU 55 -9.232 0.771 -8.854 414 HG LEU 55 HG LEU 55 -7.239 -0.636 -9.489 415 HD11 LEU 55 1HD1 LEU 55 -5.325 0.509 -10.514 416 HD12 LEU 55 2HD1 LEU 55 -6.726 0.460 -11.610 417 HD13 LEU 55 3HD1 LEU 55 -6.321 1.964 -10.749 418 HD21 LEU 55 1HD2 LEU 55 -5.691 0.627 -8.033 419 HD22 LEU 55 2HD2 LEU 55 -6.692 2.085 -8.233 420 HD23 LEU 55 3HD2 LEU 55 -7.349 0.663 -7.388 421 H ASP 56 H ASP 56 -8.300 -1.431 -12.380 422 HA ASP 56 HA ASP 56 -9.932 -3.623 -11.261 423 HB2 ASP 56 1HB ASP 56 -7.974 -3.495 -13.586 424 HB3 ASP 56 2HB ASP 56 -8.780 -4.972 -13.075 425 H LYS 57 H LYS 57 -9.037 -5.589 -10.499 426 HA LYS 57 HA LYS 57 -7.034 -5.162 -8.528 427 HB2 LYS 57 1HB LYS 57 -8.788 -6.910 -8.368 428 HB3 LYS 57 2HB LYS 57 -8.041 -7.789 -9.694 429 HG2 LYS 57 1HG LYS 57 -6.015 -8.138 -8.340 430 HG3 LYS 57 2HG LYS 57 -6.747 -7.232 -7.008 431 HD2 LYS 57 1HD LYS 57 -8.596 -8.889 -6.912 432 HD3 LYS 57 2HD LYS 57 -7.831 -9.803 -8.220 433 HE2 LYS 57 1HE LYS 57 -6.475 -9.187 -5.573 434 HE3 LYS 57 2HE LYS 57 -7.360 -10.679 -5.901 435 HZ1 LYS 57 1HZ LYS 57 -5.019 -10.941 -6.275 436 HZ2 LYS 57 2HZ LYS 57 -5.833 -11.120 -7.699 437 HZ3 LYS 57 3HZ LYS 57 -5.006 -9.727 -7.390 438 H ASP 58 H ASP 58 -4.922 -5.059 -8.629 439 HA ASP 58 HA ASP 58 -2.752 -5.400 -9.314 440 HB2 ASP 58 1HB ASP 58 -3.942 -7.901 -10.583 441 HB3 ASP 58 2HB ASP 58 -2.220 -7.578 -10.431 442 H ASN 59 H ASN 59 -4.802 -4.012 -11.054 443 HA ASN 59 HA ASN 59 -3.273 -4.194 -13.614 444 HB2 ASN 59 1HB ASN 59 -5.731 -4.587 -13.761 445 HB3 ASN 59 2HB ASN 59 -6.008 -2.976 -13.114 446 HD21 ASN 59 1HD2 ASN 59 -6.153 -2.980 -16.856 447 HD22 ASN 59 2HD2 ASN 59 -6.909 -3.933 -15.623 448 H LEU 60 H LEU 60 -1.644 -2.831 -13.625 449 HA LEU 60 HA LEU 60 -1.977 -0.248 -12.184 450 HB2 LEU 60 1HB LEU 60 0.538 -1.675 -13.120 451 HB3 LEU 60 2HB LEU 60 0.494 -0.158 -12.215 452 HG LEU 60 HG LEU 60 -0.466 -2.853 -11.188 453 HD11 LEU 60 1HD1 LEU 60 1.519 -2.726 -9.750 454 HD12 LEU 60 2HD1 LEU 60 1.957 -2.752 -11.474 455 HD13 LEU 60 3HD1 LEU 60 2.013 -1.223 -10.565 456 HD21 LEU 60 1HD2 LEU 60 -0.637 -1.659 -9.032 457 HD22 LEU 60 2HD2 LEU 60 -0.173 -0.139 -9.835 458 HD23 LEU 60 3HD2 LEU 60 -1.711 -0.934 -10.251 459 H SER 61 H SER 61 -2.540 -1.275 -15.160 460 HA SER 61 HA SER 61 -1.034 0.636 -16.741 461 HB2 SER 61 1HB SER 61 -2.382 -0.088 -18.571 462 HB3 SER 61 2HB SER 61 -2.038 -1.511 -17.599 463 HG SER 61 HG SER 61 -4.042 -1.332 -16.673 464 H TYR 62 H TYR 62 -3.927 0.745 -14.830 465 HA TYR 62 HA TYR 62 -5.097 3.095 -15.966 466 HB2 TYR 62 1HB TYR 62 -5.153 1.889 -13.181 467 HB3 TYR 62 2HB TYR 62 -6.001 3.381 -13.564 468 HD1 TYR 62 HD1 TYR 62 -5.971 -0.237 -13.893 469 HD2 TYR 62 HD2 TYR 62 -7.860 3.384 -15.207 470 HE1 TYR 62 HE1 TYR 62 -7.897 -1.543 -14.728 471 HE2 TYR 62 HE2 TYR 62 -9.785 2.078 -16.042 472 HH TYR 62 HH TYR 62 -9.943 -1.444 -15.613 473 H ILE 63 H ILE 63 -2.575 2.630 -13.503 474 HA ILE 63 HA ILE 63 -2.133 5.414 -13.003 475 HB ILE 63 HB ILE 63 -0.299 2.997 -12.776 476 HG12 ILE 63 1HG1 ILE 63 -1.638 4.629 -10.613 477 HG13 ILE 63 2HG1 ILE 63 -2.339 3.173 -11.301 478 HG21 ILE 63 1HG2 ILE 63 1.187 4.450 -11.456 479 HG22 ILE 63 2HG2 ILE 63 1.044 5.033 -13.131 480 HG23 ILE 63 3HG2 ILE 63 0.152 5.851 -11.826 481 HD11 ILE 63 1HD1 ILE 63 -1.187 2.690 -9.215 482 HD12 ILE 63 2HD1 ILE 63 -0.384 1.873 -10.577 483 HD13 ILE 63 3HD1 ILE 63 0.326 3.348 -9.878 484 H GLU 64 H GLU 64 -0.558 3.121 -15.249 485 HA GLU 64 HA GLU 64 1.303 4.887 -16.388 486 HB2 GLU 64 1HB GLU 64 -0.239 2.576 -17.623 487 HB3 GLU 64 2HB GLU 64 1.054 3.420 -18.461 488 HG2 GLU 64 1HG GLU 64 2.661 2.745 -16.784 489 HG3 GLU 64 2HG GLU 64 1.387 2.032 -15.795 490 H HIS 65 H HIS 65 -2.116 4.370 -17.240 491 HA HIS 65 HA HIS 65 -2.119 5.913 -19.632 492 HB2 HIS 65 1HB HIS 65 -3.941 4.346 -18.862 493 HB3 HIS 65 2HB HIS 65 -4.426 5.561 -17.688 494 HD1 HIS 65 HD1 HIS 65 -3.724 5.604 -21.461 495 HD2 HIS 65 HD2 HIS 65 -6.620 6.999 -18.736 496 HE1 HIS 65 HE1 HIS 65 -5.355 6.847 -22.790 497 H ILE 66 H ILE 66 -2.641 6.851 -16.247 498 HA ILE 66 HA ILE 66 -3.374 9.537 -16.649 499 HB ILE 66 HB ILE 66 -1.722 8.238 -14.450 500 HG12 ILE 66 1HG1 ILE 66 -4.579 9.225 -14.416 501 HG13 ILE 66 2HG1 ILE 66 -4.131 7.569 -14.798 502 HG21 ILE 66 1HG2 ILE 66 -2.134 10.281 -13.140 503 HG22 ILE 66 2HG2 ILE 66 -1.161 10.636 -14.587 504 HG23 ILE 66 3HG2 ILE 66 -2.893 11.042 -14.559 505 HD11 ILE 66 1HD1 ILE 66 -4.793 7.782 -12.468 506 HD12 ILE 66 2HD1 ILE 66 -3.075 7.333 -12.592 507 HD13 ILE 66 3HD1 ILE 66 -3.531 9.009 -12.203 508 H PHE 67 H PHE 67 -0.138 8.059 -16.559 509 HA PHE 67 HA PHE 67 1.187 10.636 -16.893 510 HB2 PHE 67 1HB PHE 67 2.176 7.763 -16.970 511 HB3 PHE 67 2HB PHE 67 3.230 9.141 -17.242 512 HD1 PHE 67 HD1 PHE 67 1.112 7.418 -14.766 513 HD2 PHE 67 HD2 PHE 67 3.962 10.529 -15.439 514 HE1 PHE 67 HE1 PHE 67 1.436 7.647 -12.325 515 HE2 PHE 67 HE2 PHE 67 4.292 10.759 -13.000 516 HZ PHE 67 HZ PHE 67 3.026 9.317 -11.442 517 H GLU 68 H GLU 68 -0.033 8.106 -18.964 518 HA GLU 68 HA GLU 68 1.336 8.884 -21.360 519 HB2 GLU 68 1HB GLU 68 -1.334 7.515 -20.869 520 HB3 GLU 68 2HB GLU 68 -0.701 7.807 -22.482 521 HG2 GLU 68 1HG GLU 68 1.269 6.446 -21.983 522 HG3 GLU 68 2HG GLU 68 0.692 6.189 -20.338 523 H ILE 69 H ILE 69 -1.711 9.937 -19.857 524 HA ILE 69 HA ILE 69 -2.422 11.675 -22.062 525 HB ILE 69 HB ILE 69 -3.428 11.541 -19.187 526 HG12 ILE 69 1HG1 ILE 69 -3.887 9.526 -20.453 527 HG13 ILE 69 2HG1 ILE 69 -5.366 10.429 -20.169 528 HG21 ILE 69 1HG2 ILE 69 -5.312 12.909 -19.989 529 HG22 ILE 69 2HG2 ILE 69 -3.772 13.788 -20.144 530 HG23 ILE 69 3HG2 ILE 69 -4.530 13.061 -21.581 531 HD11 ILE 69 1HD1 ILE 69 -5.304 9.536 -22.430 532 HD12 ILE 69 2HD1 ILE 69 -5.279 11.316 -22.459 533 HD13 ILE 69 3HD1 ILE 69 -3.782 10.399 -22.748 534 H SER 70 H SER 70 -0.895 12.148 -18.882 535 HA SER 70 HA SER 70 -0.588 15.003 -19.211 536 HB2 SER 70 1HB SER 70 0.791 14.893 -17.253 537 HB3 SER 70 2HB SER 70 -0.558 13.792 -17.018 538 HG SER 70 HG SER 70 1.656 12.736 -18.243 539 H ARG 71 H ARG 71 1.012 12.276 -20.526 540 HA ARG 71 HA ARG 71 2.823 12.094 -21.933 541 HB2 ARG 71 1HB ARG 71 2.645 15.122 -22.091 542 HB3 ARG 71 2HB ARG 71 3.534 14.081 -23.193 543 HG2 ARG 71 1HG ARG 71 1.408 13.035 -23.903 544 HG3 ARG 71 2HG ARG 71 0.529 14.147 -22.826 545 HD2 ARG 71 1HD ARG 71 2.207 14.828 -25.223 546 HD3 ARG 71 2HD ARG 71 0.454 15.044 -25.005 547 HE ARG 71 HE ARG 71 2.573 16.781 -24.085 548 HH11 ARG 71 1HH1 ARG 71 -0.727 15.728 -23.502 549 HH12 ARG 71 2HH1 ARG 71 -1.187 17.204 -22.685 550 HH21 ARG 71 1HH2 ARG 71 1.964 18.693 -23.022 551 HH22 ARG 71 2HH2 ARG 71 0.335 18.883 -22.413 552 H ARG 72 H ARG 72 3.760 11.551 -19.684 553 HA ARG 72 HA ARG 72 6.245 13.192 -19.463 554 HB2 ARG 72 1HB ARG 72 4.758 11.819 -17.198 555 HB3 ARG 72 2HB ARG 72 6.326 12.597 -17.052 556 HG2 ARG 72 1HG ARG 72 3.803 14.042 -17.892 557 HG3 ARG 72 2HG ARG 72 4.416 13.957 -16.223 558 HD2 ARG 72 1HD ARG 72 6.510 14.985 -16.977 559 HD3 ARG 72 2HD ARG 72 5.817 15.141 -18.608 560 HE ARG 72 HE ARG 72 5.135 16.695 -16.222 561 HH11 ARG 72 1HH1 ARG 72 4.336 15.838 -19.534 562 HH12 ARG 72 2HH1 ARG 72 3.356 17.263 -19.799 563 HH21 ARG 72 1HH2 ARG 72 3.861 18.540 -16.577 564 HH22 ARG 72 2HH2 ARG 72 3.086 18.793 -18.125 565 HA PRO 73 HA PRO 73 7.200 8.956 -20.874 566 HB2 PRO 73 1HB PRO 73 9.699 10.540 -21.606 567 HB3 PRO 73 2HB PRO 73 8.878 9.275 -22.529 568 HG2 PRO 73 1HG PRO 73 8.471 11.804 -23.237 569 HG3 PRO 73 2HG PRO 73 7.087 10.709 -23.174 570 HD2 PRO 73 1HD PRO 73 7.972 12.801 -21.153 571 HD3 PRO 73 2HD PRO 73 6.302 12.389 -21.714 572 H ASP 74 H ASP 74 9.221 11.307 -19.111 573 HA ASP 74 HA ASP 74 11.142 9.416 -18.138 574 HB2 ASP 74 1HB ASP 74 10.296 12.165 -17.153 575 HB3 ASP 74 2HB ASP 74 11.593 11.241 -16.406 576 H LEU 75 H LEU 75 8.205 10.827 -16.673 577 HA LEU 75 HA LEU 75 8.522 9.323 -14.215 578 HB2 LEU 75 1HB LEU 75 6.149 10.824 -15.376 579 HB3 LEU 75 2HB LEU 75 6.198 10.131 -13.752 580 HG LEU 75 HG LEU 75 8.033 12.330 -14.771 581 HD11 LEU 75 1HD1 LEU 75 6.705 13.784 -13.306 582 HD12 LEU 75 2HD1 LEU 75 5.712 13.064 -14.594 583 HD13 LEU 75 3HD1 LEU 75 5.621 12.422 -12.937 584 HD21 LEU 75 1HD2 LEU 75 8.663 12.509 -12.388 585 HD22 LEU 75 2HD2 LEU 75 7.607 11.129 -12.004 586 HD23 LEU 75 3HD2 LEU 75 9.043 10.894 -13.030 587 H LEU 76 H LEU 76 6.693 8.915 -17.218 588 HA LEU 76 HA LEU 76 5.134 6.676 -16.404 589 HB2 LEU 76 1HB LEU 76 4.696 7.923 -18.466 590 HB3 LEU 76 2HB LEU 76 6.248 7.411 -19.135 591 HG LEU 76 HG LEU 76 5.454 5.066 -19.169 592 HD11 LEU 76 1HD1 LEU 76 3.090 4.588 -18.713 593 HD12 LEU 76 2HD1 LEU 76 3.930 5.191 -17.265 594 HD13 LEU 76 3HD1 LEU 76 2.852 6.270 -18.184 595 HD21 LEU 76 1HD2 LEU 76 3.808 5.377 -20.986 596 HD22 LEU 76 2HD2 LEU 76 3.578 7.071 -20.489 597 HD23 LEU 76 3HD2 LEU 76 5.149 6.537 -21.133 598 H THR 77 H THR 77 8.360 6.873 -17.921 599 HA THR 77 HA THR 77 8.940 4.141 -18.117 600 HB THR 77 HB THR 77 10.818 6.404 -17.309 601 HG1 THR 77 HG1 THR 77 9.990 6.815 -19.324 602 HG21 THR 77 1HG2 THR 77 12.600 4.924 -18.147 603 HG22 THR 77 2HG2 THR 77 11.748 4.178 -16.774 604 HG23 THR 77 3HG2 THR 77 11.404 3.639 -18.434 605 H MET 78 H MET 78 9.243 6.274 -15.279 606 HA MET 78 HA MET 78 10.327 4.274 -13.542 607 HB2 MET 78 1HB MET 78 8.739 6.803 -12.974 608 HB3 MET 78 2HB MET 78 9.464 5.812 -11.717 609 HG2 MET 78 1HG MET 78 10.948 7.255 -13.932 610 HG3 MET 78 2HG MET 78 10.868 7.731 -12.234 611 HE1 MET 78 1HE MET 78 12.897 4.920 -10.445 612 HE2 MET 78 2HE MET 78 12.067 6.486 -10.268 613 HE3 MET 78 3HE MET 78 11.132 5.023 -10.658 614 H VAL 79 H VAL 79 6.999 5.253 -14.290 615 HA VAL 79 HA VAL 79 5.689 3.601 -12.390 616 HB VAL 79 HB VAL 79 4.840 4.529 -15.165 617 HG11 VAL 79 1HG1 VAL 79 2.556 3.940 -14.515 618 HG12 VAL 79 2HG1 VAL 79 3.615 2.512 -14.596 619 HG13 VAL 79 3HG1 VAL 79 3.173 3.203 -13.017 620 HG21 VAL 79 1HG2 VAL 79 3.489 6.146 -13.868 621 HG22 VAL 79 2HG2 VAL 79 4.142 5.476 -12.354 622 HG23 VAL 79 3HG2 VAL 79 5.222 6.311 -13.496 623 H VAL 80 H VAL 80 6.717 2.943 -15.747 624 HA VAL 80 HA VAL 80 5.691 0.292 -15.886 625 HB VAL 80 HB VAL 80 8.054 1.600 -17.294 626 HG11 VAL 80 1HG1 VAL 80 7.920 -0.233 -18.908 627 HG12 VAL 80 2HG1 VAL 80 8.355 -0.809 -17.282 628 HG13 VAL 80 3HG1 VAL 80 6.699 -1.037 -17.894 629 HG21 VAL 80 1HG2 VAL 80 6.455 1.752 -19.177 630 HG22 VAL 80 2HG2 VAL 80 5.193 1.012 -18.162 631 HG23 VAL 80 3HG2 VAL 80 5.846 2.615 -17.745 632 H ASP 81 H ASP 81 8.893 1.538 -14.914 633 HA ASP 81 HA ASP 81 10.135 -0.945 -14.388 634 HB2 ASP 81 1HB ASP 81 11.275 1.289 -14.388 635 HB3 ASP 81 2HB ASP 81 10.500 1.660 -12.854 636 H TYR 82 H TYR 82 8.254 1.157 -12.186 637 HA TYR 82 HA TYR 82 8.463 -0.604 -9.937 638 HB2 TYR 82 1HB TYR 82 6.492 1.599 -10.646 639 HB3 TYR 82 2HB TYR 82 6.416 0.712 -9.130 640 HD1 TYR 82 HD1 TYR 82 7.132 3.751 -10.081 641 HD2 TYR 82 HD2 TYR 82 9.269 0.413 -8.436 642 HE1 TYR 82 HE1 TYR 82 8.788 5.297 -9.093 643 HE2 TYR 82 HE2 TYR 82 10.924 1.960 -7.449 644 HH TYR 82 HH TYR 82 11.539 4.071 -7.181 645 H ARG 83 H ARG 83 6.154 -0.366 -12.601 646 HA ARG 83 HA ARG 83 4.137 -2.061 -11.611 647 HB2 ARG 83 1HB ARG 83 3.903 -0.801 -13.695 648 HB3 ARG 83 2HB ARG 83 5.167 -1.757 -14.453 649 HG2 ARG 83 1HG ARG 83 3.759 -3.766 -14.292 650 HG3 ARG 83 2HG ARG 83 2.478 -2.796 -13.523 651 HD2 ARG 83 1HD ARG 83 2.219 -1.474 -15.476 652 HD3 ARG 83 2HD ARG 83 3.640 -2.228 -16.237 653 HE ARG 83 HE ARG 83 1.714 -4.211 -15.539 654 HH11 ARG 83 1HH1 ARG 83 2.322 -1.641 -17.857 655 HH12 ARG 83 2HH1 ARG 83 1.364 -2.382 -19.119 656 HH21 ARG 83 1HH2 ARG 83 0.473 -5.163 -17.186 657 HH22 ARG 83 2HH2 ARG 83 0.317 -4.376 -18.740 658 H THR 84 H THR 84 7.134 -2.884 -13.367 659 HA THR 84 HA THR 84 6.564 -5.718 -13.401 660 HB THR 84 HB THR 84 8.905 -5.968 -14.157 661 HG1 THR 84 HG1 THR 84 9.051 -3.327 -13.181 662 HG21 THR 84 1HG2 THR 84 8.771 -4.558 -16.173 663 HG22 THR 84 2HG2 THR 84 7.188 -5.278 -15.794 664 HG23 THR 84 3HG2 THR 84 7.506 -3.571 -15.404 665 H ARG 85 H ARG 85 8.093 -3.535 -11.141 666 HA ARG 85 HA ARG 85 9.352 -5.627 -9.569 667 HB2 ARG 85 1HB ARG 85 8.678 -2.730 -8.972 668 HB3 ARG 85 2HB ARG 85 9.505 -3.784 -7.834 669 HG2 ARG 85 1HG ARG 85 11.360 -4.065 -9.403 670 HG3 ARG 85 2HG ARG 85 10.518 -3.041 -10.591 671 HD2 ARG 85 1HD ARG 85 10.528 -1.216 -8.924 672 HD3 ARG 85 2HD ARG 85 11.528 -2.245 -7.873 673 HE ARG 85 HE ARG 85 12.344 -0.853 -10.298 674 HH11 ARG 85 1HH1 ARG 85 13.090 -3.393 -7.988 675 HH12 ARG 85 2HH1 ARG 85 14.798 -3.405 -8.364 676 HH21 ARG 85 1HH2 ARG 85 14.563 -0.879 -10.778 677 HH22 ARG 85 2HH2 ARG 85 15.633 -1.983 -9.942 678 H VAL 86 H VAL 86 6.286 -3.841 -9.452 679 HA VAL 86 HA VAL 86 5.495 -4.991 -6.904 680 HB VAL 86 HB VAL 86 3.941 -3.487 -9.050 681 HG11 VAL 86 1HG1 VAL 86 2.161 -3.250 -7.388 682 HG12 VAL 86 2HG1 VAL 86 2.431 -4.950 -7.838 683 HG13 VAL 86 3HG1 VAL 86 3.046 -4.331 -6.287 684 HG21 VAL 86 1HG2 VAL 86 4.050 -1.642 -7.403 685 HG22 VAL 86 2HG2 VAL 86 4.998 -2.677 -6.309 686 HG23 VAL 86 3HG2 VAL 86 5.679 -2.180 -7.876 687 H LEU 87 H LEU 87 4.605 -5.541 -10.322 688 HA LEU 87 HA LEU 87 2.765 -7.693 -9.519 689 HB2 LEU 87 1HB LEU 87 3.519 -6.604 -12.255 690 HB3 LEU 87 2HB LEU 87 2.268 -7.814 -11.952 691 HG LEU 87 HG LEU 87 2.222 -4.941 -10.958 692 HD11 LEU 87 1HD1 LEU 87 0.424 -4.672 -12.609 693 HD12 LEU 87 2HD1 LEU 87 1.964 -5.119 -13.381 694 HD13 LEU 87 3HD1 LEU 87 0.687 -6.339 -13.168 695 HD21 LEU 87 1HD2 LEU 87 -0.094 -5.499 -10.296 696 HD22 LEU 87 2HD2 LEU 87 0.161 -7.181 -10.823 697 HD23 LEU 87 3HD2 LEU 87 1.083 -6.531 -9.446 698 H LYS 88 H LYS 88 6.038 -7.439 -10.077 699 HA LYS 88 HA LYS 88 7.691 -9.014 -10.358 700 HB2 LYS 88 1HB LYS 88 5.438 -10.998 -9.842 701 HB3 LYS 88 2HB LYS 88 7.156 -11.375 -9.813 702 HG2 LYS 88 1HG LYS 88 7.454 -9.802 -7.916 703 HG3 LYS 88 2HG LYS 88 5.714 -9.486 -7.930 704 HD2 LYS 88 1HD LYS 88 5.285 -11.902 -7.529 705 HD3 LYS 88 2HD LYS 88 7.031 -12.188 -7.471 706 HE2 LYS 88 1HE LYS 88 7.226 -10.665 -5.540 707 HE3 LYS 88 2HE LYS 88 5.492 -10.343 -5.605 708 HZ1 LYS 88 1HZ LYS 88 6.020 -11.994 -3.968 709 HZ2 LYS 88 2HZ LYS 88 5.102 -12.668 -5.160 710 HZ3 LYS 88 3HZ LYS 88 6.722 -12.969 -5.098 711 H ILE 89 H ILE 89 7.236 -8.045 -12.649 712 HA ILE 89 HA ILE 89 6.290 -10.157 -14.510 713 HB ILE 89 HB ILE 89 6.903 -7.207 -14.980 714 HG12 ILE 89 1HG1 ILE 89 4.234 -8.629 -14.964 715 HG13 ILE 89 2HG1 ILE 89 4.886 -7.764 -13.582 716 HG21 ILE 89 1HG2 ILE 89 5.887 -7.572 -17.192 717 HG22 ILE 89 2HG2 ILE 89 7.343 -8.572 -16.985 718 HG23 ILE 89 3HG2 ILE 89 5.730 -9.310 -16.838 719 HD11 ILE 89 1HD1 ILE 89 3.311 -6.383 -14.817 720 HD12 ILE 89 2HD1 ILE 89 4.948 -5.688 -14.895 721 HD13 ILE 89 3HD1 ILE 89 4.286 -6.564 -16.295 722 H SER 90 H SER 90 7.674 -11.438 -15.478 723 HA SER 90 HA SER 90 10.158 -10.414 -16.592 724 HB2 SER 90 1HB SER 90 10.869 -10.725 -14.269 725 HB3 SER 90 2HB SER 90 10.260 -12.372 -14.274 726 HG SER 90 HG SER 90 12.418 -11.259 -15.650 Start of MODEL 9 1 H1 MET 1 1H MET 1 3.512 -2.417 -4.647 2 H2 MET 1 2H MET 1 4.654 -1.276 -4.890 3 H3 MET 1 3H MET 1 3.824 -1.313 -3.485 4 HA MET 1 HA MET 1 2.731 -0.736 -6.120 5 HB2 MET 1 1HB MET 1 1.422 -0.846 -3.378 6 HB3 MET 1 2HB MET 1 0.660 -0.161 -4.805 7 HG2 MET 1 1HG MET 1 0.762 -2.353 -5.922 8 HG3 MET 1 2HG MET 1 1.548 -3.045 -4.501 9 HE1 MET 1 1HE MET 1 -2.843 -1.631 -4.745 10 HE2 MET 1 2HE MET 1 -1.480 -0.501 -4.944 11 HE3 MET 1 3HE MET 1 -1.740 -1.803 -6.131 12 H ALA 2 H ALA 2 4.233 0.358 -3.198 13 HA ALA 2 HA ALA 2 3.428 3.090 -3.288 14 HB1 ALA 2 1HB ALA 2 5.425 3.503 -1.888 15 HB2 ALA 2 2HB ALA 2 4.502 2.090 -1.321 16 HB3 ALA 2 3HB ALA 2 6.005 1.860 -2.245 17 H GLU 3 H GLU 3 5.766 1.271 -5.128 18 HA GLU 3 HA GLU 3 7.322 3.417 -6.145 19 HB2 GLU 3 1HB GLU 3 6.493 0.862 -7.581 20 HB3 GLU 3 2HB GLU 3 7.839 1.903 -8.020 21 HG2 GLU 3 1HG GLU 3 8.910 0.223 -6.889 22 HG3 GLU 3 2HG GLU 3 8.692 1.414 -5.607 23 H TYR 4 H TYR 4 4.087 2.315 -6.918 24 HA TYR 4 HA TYR 4 3.995 3.958 -9.366 25 HB2 TYR 4 1HB TYR 4 1.951 2.155 -8.013 26 HB3 TYR 4 2HB TYR 4 1.611 3.090 -9.462 27 HD1 TYR 4 HD1 TYR 4 3.755 0.394 -8.074 28 HD2 TYR 4 HD2 TYR 4 2.279 2.345 -11.599 29 HE1 TYR 4 HE1 TYR 4 4.666 -1.433 -9.467 30 HE2 TYR 4 HE2 TYR 4 3.190 0.517 -12.992 31 HH TYR 4 HH TYR 4 4.930 -2.219 -11.527 32 H GLY 5 H GLY 5 2.665 3.937 -6.082 33 HA2 GLY 5 1HA GLY 5 0.997 6.252 -6.371 34 HA3 GLY 5 2HA GLY 5 1.634 5.623 -4.862 35 H THR 6 H THR 6 4.433 5.791 -5.596 36 HA THR 6 HA THR 6 5.011 8.499 -4.897 37 HB THR 6 HB THR 6 6.814 6.374 -6.132 38 HG1 THR 6 HG1 THR 6 6.039 5.760 -4.106 39 HG21 THR 6 1HG2 THR 6 8.661 7.739 -5.242 40 HG22 THR 6 2HG2 THR 6 7.716 8.653 -6.440 41 HG23 THR 6 3HG2 THR 6 7.497 8.972 -4.704 42 H LEU 7 H LEU 7 5.226 6.767 -8.014 43 HA LEU 7 HA LEU 7 6.110 9.054 -9.501 44 HB2 LEU 7 1HB LEU 7 4.677 6.517 -10.356 45 HB3 LEU 7 2HB LEU 7 5.310 7.718 -11.485 46 HG LEU 7 HG LEU 7 6.982 6.115 -9.518 47 HD11 LEU 7 1HD1 LEU 7 7.751 4.921 -11.520 48 HD12 LEU 7 2HD1 LEU 7 6.003 4.718 -11.264 49 HD13 LEU 7 3HD1 LEU 7 6.596 5.839 -12.513 50 HD21 LEU 7 1HD2 LEU 7 8.872 7.052 -10.807 51 HD22 LEU 7 2HD2 LEU 7 7.732 8.001 -11.791 52 HD23 LEU 7 3HD2 LEU 7 7.908 8.344 -10.052 53 H LEU 8 H LEU 8 2.925 7.793 -8.639 54 HA LEU 8 HA LEU 8 1.400 9.555 -10.301 55 HB2 LEU 8 1HB LEU 8 0.480 7.542 -9.182 56 HB3 LEU 8 2HB LEU 8 0.684 8.326 -7.613 57 HG LEU 8 HG LEU 8 -0.974 10.041 -8.248 58 HD11 LEU 8 1HD1 LEU 8 -2.259 9.781 -10.323 59 HD12 LEU 8 2HD1 LEU 8 -0.535 10.073 -10.649 60 HD13 LEU 8 3HD1 LEU 8 -1.205 8.432 -10.807 61 HD21 LEU 8 1HD2 LEU 8 -2.938 8.540 -8.250 62 HD22 LEU 8 2HD2 LEU 8 -1.895 7.172 -8.704 63 HD23 LEU 8 3HD2 LEU 8 -1.690 7.959 -7.121 64 H GLN 9 H GLN 9 2.654 9.847 -6.982 65 HA GLN 9 HA GLN 9 1.586 12.449 -6.470 66 HB2 GLN 9 1HB GLN 9 2.555 10.951 -4.724 67 HB3 GLN 9 2HB GLN 9 4.153 11.196 -5.412 68 HG2 GLN 9 1HG GLN 9 3.890 12.592 -3.481 69 HG3 GLN 9 2HG GLN 9 3.955 13.624 -4.938 70 HE21 GLN 9 1HE2 GLN 9 1.094 15.310 -3.972 71 HE22 GLN 9 2HE2 GLN 9 2.702 15.340 -4.613 72 H ASP 10 H ASP 10 4.591 11.352 -8.009 73 HA ASP 10 HA ASP 10 5.767 13.920 -8.361 74 HB2 ASP 10 1HB ASP 10 5.988 11.342 -9.952 75 HB3 ASP 10 2HB ASP 10 6.918 12.780 -10.352 76 H LEU 11 H LEU 11 3.508 12.063 -10.400 77 HA LEU 11 HA LEU 11 3.250 13.938 -12.502 78 HB2 LEU 11 1HB LEU 11 2.270 11.719 -12.634 79 HB3 LEU 11 2HB LEU 11 1.210 12.059 -11.262 80 HG LEU 11 HG LEU 11 0.033 13.776 -12.634 81 HD11 LEU 11 1HD1 LEU 11 0.459 13.846 -15.050 82 HD12 LEU 11 2HD1 LEU 11 1.885 14.355 -14.115 83 HD13 LEU 11 3HD1 LEU 11 1.829 12.730 -14.842 84 HD21 LEU 11 1HD2 LEU 11 -1.111 12.139 -14.092 85 HD22 LEU 11 2HD2 LEU 11 0.236 10.998 -13.869 86 HD23 LEU 11 3HD2 LEU 11 -0.787 11.447 -12.484 87 H THR 12 H THR 12 1.355 13.649 -9.479 88 HA THR 12 HA THR 12 -0.287 15.918 -9.904 89 HB THR 12 HB THR 12 0.717 14.743 -7.275 90 HG1 THR 12 HG1 THR 12 -0.478 13.244 -8.455 91 HG21 THR 12 1HG2 THR 12 -1.252 15.847 -6.290 92 HG22 THR 12 2HG2 THR 12 -0.146 17.041 -7.007 93 HG23 THR 12 3HG2 THR 12 -1.635 16.580 -7.865 94 H ASN 13 H ASN 13 2.950 15.624 -8.482 95 HA ASN 13 HA ASN 13 3.098 18.335 -7.553 96 HB2 ASN 13 1HB ASN 13 5.224 16.289 -8.248 97 HB3 ASN 13 2HB ASN 13 5.605 17.884 -7.613 98 HD21 ASN 13 1HD2 ASN 13 5.442 15.445 -4.822 99 HD22 ASN 13 2HD2 ASN 13 6.336 15.571 -6.301 100 H ASN 14 H ASN 14 3.779 16.811 -10.652 101 HA ASN 14 HA ASN 14 4.403 19.522 -11.737 102 HB2 ASN 14 1HB ASN 14 5.797 16.917 -12.437 103 HB3 ASN 14 2HB ASN 14 6.043 18.450 -13.262 104 HD21 ASN 14 1HD2 ASN 14 8.024 17.593 -9.883 105 HD22 ASN 14 2HD2 ASN 14 7.002 16.466 -10.709 106 H ILE 15 H ILE 15 2.038 19.373 -12.117 107 HA ILE 15 HA ILE 15 1.663 18.220 -14.838 108 HB ILE 15 HB ILE 15 0.481 16.754 -13.214 109 HG12 ILE 15 1HG1 ILE 15 -1.529 18.374 -14.779 110 HG13 ILE 15 2HG1 ILE 15 -0.378 17.295 -15.550 111 HG21 ILE 15 1HG2 ILE 15 -1.440 17.646 -11.960 112 HG22 ILE 15 2HG2 ILE 15 0.072 18.439 -11.461 113 HG23 ILE 15 3HG2 ILE 15 -1.063 19.285 -12.539 114 HD11 ILE 15 1HD1 ILE 15 -2.528 16.204 -15.236 115 HD12 ILE 15 2HD1 ILE 15 -1.272 15.402 -14.264 116 HD13 ILE 15 3HD1 ILE 15 -2.439 16.495 -13.483 117 H THR 16 H THR 16 0.654 19.492 -16.287 118 HA THR 16 HA THR 16 0.276 22.295 -15.434 119 HB THR 16 HB THR 16 0.273 22.829 -17.825 120 HG1 THR 16 HG1 THR 16 0.626 20.068 -18.390 121 HG21 THR 16 1HG2 THR 16 2.517 22.011 -18.426 122 HG22 THR 16 2HG2 THR 16 2.461 22.515 -16.720 123 HG23 THR 16 3HG2 THR 16 2.421 20.787 -17.139 124 H LEU 17 H LEU 17 -1.515 23.545 -16.480 125 HA LEU 17 HA LEU 17 -4.029 22.444 -15.693 126 HB2 LEU 17 1HB LEU 17 -3.317 24.841 -17.415 127 HB3 LEU 17 2HB LEU 17 -4.966 24.456 -16.914 128 HG LEU 17 HG LEU 17 -2.679 25.053 -15.004 129 HD11 LEU 17 1HD1 LEU 17 -3.797 27.215 -14.696 130 HD12 LEU 17 2HD1 LEU 17 -3.241 26.996 -16.371 131 HD13 LEU 17 3HD1 LEU 17 -4.964 26.795 -15.972 132 HD21 LEU 17 1HD2 LEU 17 -4.509 25.219 -13.350 133 HD22 LEU 17 2HD2 LEU 17 -5.686 24.769 -14.607 134 HD23 LEU 17 3HD2 LEU 17 -4.454 23.598 -14.083 135 H GLU 18 H GLU 18 -2.454 22.806 -18.858 136 HA GLU 18 HA GLU 18 -4.617 21.877 -20.451 137 HB2 GLU 18 1HB GLU 18 -2.540 22.950 -21.337 138 HB3 GLU 18 2HB GLU 18 -1.631 21.504 -20.921 139 HG2 GLU 18 1HG GLU 18 -2.927 20.184 -22.499 140 HG3 GLU 18 2HG GLU 18 -3.949 21.572 -22.863 141 H ASP 19 H ASP 19 -1.985 20.119 -18.815 142 HA ASP 19 HA ASP 19 -2.712 17.521 -19.733 143 HB2 ASP 19 1HB ASP 19 -1.290 18.465 -17.218 144 HB3 ASP 19 2HB ASP 19 -1.515 16.763 -17.602 145 H LEU 20 H LEU 20 -3.766 19.432 -16.928 146 HA LEU 20 HA LEU 20 -5.389 17.391 -15.753 147 HB2 LEU 20 1HB LEU 20 -5.508 20.421 -15.637 148 HB3 LEU 20 2HB LEU 20 -6.581 19.378 -14.699 149 HG LEU 20 HG LEU 20 -3.551 19.344 -14.477 150 HD11 LEU 20 1HD1 LEU 20 -3.897 20.586 -12.388 151 HD12 LEU 20 2HD1 LEU 20 -4.452 21.511 -13.802 152 HD13 LEU 20 3HD1 LEU 20 -5.635 20.705 -12.746 153 HD21 LEU 20 1HD2 LEU 20 -4.037 18.080 -12.409 154 HD22 LEU 20 2HD2 LEU 20 -5.779 18.162 -12.766 155 HD23 LEU 20 3HD2 LEU 20 -4.693 17.245 -13.838 156 H GLU 21 H GLU 21 -6.034 19.871 -18.209 157 HA GLU 21 HA GLU 21 -8.846 19.322 -18.432 158 HB2 GLU 21 1HB GLU 21 -6.847 20.555 -20.365 159 HB3 GLU 21 2HB GLU 21 -8.568 20.440 -20.701 160 HG2 GLU 21 1HG GLU 21 -7.314 21.930 -18.384 161 HG3 GLU 21 2HG GLU 21 -7.929 22.648 -19.871 162 H GLN 22 H GLN 22 -5.957 17.953 -19.940 163 HA GLN 22 HA GLN 22 -7.325 16.284 -21.823 164 HB2 GLN 22 1HB GLN 22 -4.868 16.772 -21.863 165 HB3 GLN 22 2HB GLN 22 -4.669 15.785 -20.423 166 HG2 GLN 22 1HG GLN 22 -4.041 14.524 -22.370 167 HG3 GLN 22 2HG GLN 22 -5.530 13.827 -21.672 168 HE21 GLN 22 1HE2 GLN 22 -7.079 13.860 -24.766 169 HE22 GLN 22 2HE2 GLN 22 -6.710 13.035 -23.288 170 H LEU 23 H LEU 23 -6.428 15.852 -18.420 171 HA LEU 23 HA LEU 23 -7.303 13.129 -18.222 172 HB2 LEU 23 1HB LEU 23 -7.054 15.346 -16.164 173 HB3 LEU 23 2HB LEU 23 -7.484 13.683 -15.754 174 HG LEU 23 HG LEU 23 -4.876 14.542 -17.056 175 HD11 LEU 23 1HD1 LEU 23 -3.897 14.044 -14.861 176 HD12 LEU 23 2HD1 LEU 23 -5.087 15.364 -14.766 177 HD13 LEU 23 3HD1 LEU 23 -5.522 13.731 -14.207 178 HD21 LEU 23 1HD2 LEU 23 -4.197 12.219 -16.557 179 HD22 LEU 23 2HD2 LEU 23 -5.827 11.878 -15.927 180 HD23 LEU 23 3HD2 LEU 23 -5.600 12.255 -17.651 181 H LYS 24 H LYS 24 -8.951 16.247 -17.837 182 HA LYS 24 HA LYS 24 -11.458 15.217 -16.956 183 HB2 LYS 24 1HB LYS 24 -10.740 17.704 -18.550 184 HB3 LYS 24 2HB LYS 24 -12.372 17.359 -17.995 185 HG2 LYS 24 1HG LYS 24 -11.591 17.377 -15.657 186 HG3 LYS 24 2HG LYS 24 -9.945 17.712 -16.211 187 HD2 LYS 24 1HD LYS 24 -10.815 19.797 -17.326 188 HD3 LYS 24 2HD LYS 24 -12.388 19.481 -16.581 189 HE2 LYS 24 1HE LYS 24 -11.367 19.594 -14.342 190 HE3 LYS 24 2HE LYS 24 -9.779 19.864 -15.065 191 HZ1 LYS 24 1HZ LYS 24 -10.790 21.908 -14.367 192 HZ2 LYS 24 2HZ LYS 24 -10.620 21.905 -16.008 193 HZ3 LYS 24 3HZ LYS 24 -12.102 21.653 -15.331 194 H SER 25 H SER 25 -10.129 15.741 -20.214 195 HA SER 25 HA SER 25 -12.479 14.850 -21.606 196 HB2 SER 25 1HB SER 25 -9.552 14.885 -22.411 197 HB3 SER 25 2HB SER 25 -10.871 14.501 -23.506 198 HG SER 25 HG SER 25 -10.328 16.891 -22.152 199 H ALA 26 H ALA 26 -9.577 13.192 -20.396 200 HA ALA 26 HA ALA 26 -10.115 10.648 -21.529 201 HB1 ALA 26 1HB ALA 26 -8.654 9.766 -19.738 202 HB2 ALA 26 2HB ALA 26 -7.962 11.220 -20.498 203 HB3 ALA 26 3HB ALA 26 -8.744 11.334 -18.903 204 H CYS 27 H CYS 27 -11.294 12.184 -18.567 205 HA CYS 27 HA CYS 27 -13.065 9.821 -18.145 206 HB2 CYS 27 1HB CYS 27 -13.401 10.647 -15.878 207 HB3 CYS 27 2HB CYS 27 -11.680 10.498 -16.201 208 HG CYS 27 HG CYS 27 -13.473 13.234 -16.473 209 H LYS 28 H LYS 28 -13.595 11.626 -20.271 210 HA LYS 28 HA LYS 28 -15.343 13.744 -19.665 211 HB2 LYS 28 1HB LYS 28 -14.480 13.356 -21.925 212 HB3 LYS 28 2HB LYS 28 -15.365 11.842 -22.041 213 HG2 LYS 28 1HG LYS 28 -17.495 13.037 -21.991 214 HG3 LYS 28 2HG LYS 28 -16.649 14.574 -21.763 215 HD2 LYS 28 1HD LYS 28 -15.518 14.277 -23.945 216 HD3 LYS 28 2HD LYS 28 -16.366 12.740 -24.173 217 HE2 LYS 28 1HE LYS 28 -17.849 15.341 -23.707 218 HE3 LYS 28 2HE LYS 28 -17.361 14.814 -25.320 219 HZ1 LYS 28 1HZ LYS 28 -19.590 14.135 -24.806 220 HZ2 LYS 28 2HZ LYS 28 -18.631 12.805 -24.983 221 HZ3 LYS 28 3HZ LYS 28 -19.087 13.299 -23.477 222 H GLU 29 H GLU 29 -16.196 10.343 -20.391 223 HA GLU 29 HA GLU 29 -18.947 10.930 -19.423 224 HB2 GLU 29 1HB GLU 29 -17.854 8.554 -20.984 225 HB3 GLU 29 2HB GLU 29 -19.531 8.758 -20.501 226 HG2 GLU 29 1HG GLU 29 -18.000 10.592 -22.359 227 HG3 GLU 29 2HG GLU 29 -19.142 9.342 -22.850 228 H ASP 30 H ASP 30 -16.124 9.948 -18.130 229 HA ASP 30 HA ASP 30 -17.241 7.732 -16.521 230 HB2 ASP 30 1HB ASP 30 -14.470 8.986 -16.635 231 HB3 ASP 30 2HB ASP 30 -14.911 7.689 -15.533 232 H ILE 31 H ILE 31 -15.756 10.946 -16.002 233 HA ILE 31 HA ILE 31 -17.032 10.963 -13.302 234 HB ILE 31 HB ILE 31 -14.606 12.498 -14.327 235 HG12 ILE 31 1HG1 ILE 31 -14.786 10.360 -12.195 236 HG13 ILE 31 2HG1 ILE 31 -14.293 10.060 -13.854 237 HG21 ILE 31 1HG2 ILE 31 -14.413 13.322 -12.015 238 HG22 ILE 31 2HG2 ILE 31 -15.943 13.847 -12.756 239 HG23 ILE 31 3HG2 ILE 31 -15.935 12.502 -11.592 240 HD11 ILE 31 1HD1 ILE 31 -12.362 10.285 -12.393 241 HD12 ILE 31 2HD1 ILE 31 -12.402 11.607 -13.586 242 HD13 ILE 31 3HD1 ILE 31 -12.900 11.909 -11.905 243 HA PRO 32 HA PRO 32 -19.870 13.910 -14.892 244 HB2 PRO 32 1HB PRO 32 -19.961 14.617 -11.934 245 HB3 PRO 32 2HB PRO 32 -21.304 14.363 -13.057 246 HG2 PRO 32 1HG PRO 32 -20.690 12.403 -11.365 247 HG3 PRO 32 2HG PRO 32 -21.053 11.996 -13.044 248 HD2 PRO 32 1HD PRO 32 -18.349 12.250 -11.671 249 HD3 PRO 32 2HD PRO 32 -18.913 11.008 -12.859 250 H SER 33 H SER 33 -19.859 16.126 -15.321 251 HA SER 33 HA SER 33 -17.307 17.393 -15.225 252 HB2 SER 33 1HB SER 33 -18.407 19.287 -16.242 253 HB3 SER 33 2HB SER 33 -19.050 17.814 -16.949 254 HG SER 33 HG SER 33 -20.233 19.698 -15.369 255 H GLU 34 H GLU 34 -20.043 17.447 -13.058 256 HA GLU 34 HA GLU 34 -19.222 19.794 -11.582 257 HB2 GLU 34 1HB GLU 34 -21.012 17.445 -10.850 258 HB3 GLU 34 2HB GLU 34 -20.760 18.837 -9.807 259 HG2 GLU 34 1HG GLU 34 -21.698 20.314 -11.526 260 HG3 GLU 34 2HG GLU 34 -21.926 18.934 -12.598 261 H LYS 35 H LYS 35 -18.238 16.466 -11.631 262 HA LYS 35 HA LYS 35 -16.870 16.766 -9.009 263 HB2 LYS 35 1HB LYS 35 -17.292 14.321 -10.773 264 HB3 LYS 35 2HB LYS 35 -16.449 14.313 -9.231 265 HG2 LYS 35 1HG LYS 35 -19.375 14.971 -9.675 266 HG3 LYS 35 2HG LYS 35 -18.713 13.495 -8.959 267 HD2 LYS 35 1HD LYS 35 -17.728 14.853 -7.119 268 HD3 LYS 35 2HD LYS 35 -18.458 16.304 -7.823 269 HE2 LYS 35 1HE LYS 35 -20.708 15.268 -7.566 270 HE3 LYS 35 2HE LYS 35 -19.958 13.863 -6.803 271 HZ1 LYS 35 1HZ LYS 35 -20.785 15.408 -5.186 272 HZ2 LYS 35 2HZ LYS 35 -19.142 15.312 -5.072 273 HZ3 LYS 35 3HZ LYS 35 -19.844 16.623 -5.784 274 H SER 36 H SER 36 -16.282 16.652 -12.428 275 HA SER 36 HA SER 36 -13.484 16.010 -12.314 276 HB2 SER 36 1HB SER 36 -13.400 16.763 -14.584 277 HB3 SER 36 2HB SER 36 -14.931 15.931 -14.363 278 HG SER 36 HG SER 36 -14.627 18.704 -14.056 279 H GLU 37 H GLU 37 -15.292 18.846 -11.539 280 HA GLU 37 HA GLU 37 -12.901 20.578 -11.683 281 HB2 GLU 37 1HB GLU 37 -15.758 21.151 -10.796 282 HB3 GLU 37 2HB GLU 37 -14.475 22.349 -10.874 283 HG2 GLU 37 1HG GLU 37 -15.583 20.791 -13.220 284 HG3 GLU 37 2HG GLU 37 -15.971 22.459 -12.805 285 H GLU 38 H GLU 38 -14.092 18.318 -9.577 286 HA GLU 38 HA GLU 38 -13.106 19.758 -7.173 287 HB2 GLU 38 1HB GLU 38 -14.467 17.049 -7.479 288 HB3 GLU 38 2HB GLU 38 -13.941 17.735 -5.948 289 HG2 GLU 38 1HG GLU 38 -15.481 19.636 -6.279 290 HG3 GLU 38 2HG GLU 38 -16.021 18.923 -7.797 291 H ILE 39 H ILE 39 -11.784 18.090 -9.648 292 HA ILE 39 HA ILE 39 -9.993 16.381 -8.053 293 HB ILE 39 HB ILE 39 -10.133 16.946 -11.045 294 HG12 ILE 39 1HG1 ILE 39 -10.877 14.449 -9.506 295 HG13 ILE 39 2HG1 ILE 39 -12.031 15.677 -10.003 296 HG21 ILE 39 1HG2 ILE 39 -8.556 15.068 -11.270 297 HG22 ILE 39 2HG2 ILE 39 -7.833 16.403 -10.344 298 HG23 ILE 39 3HG2 ILE 39 -8.430 14.956 -9.499 299 HD11 ILE 39 1HD1 ILE 39 -12.013 13.810 -11.559 300 HD12 ILE 39 2HD1 ILE 39 -11.445 15.296 -12.358 301 HD13 ILE 39 3HD1 ILE 39 -10.276 14.050 -11.856 302 H THR 40 H THR 40 -8.224 17.097 -7.129 303 HA THR 40 HA THR 40 -6.836 19.429 -8.385 304 HB THR 40 HB THR 40 -5.983 19.996 -6.135 305 HG1 THR 40 HG1 THR 40 -6.098 18.520 -4.636 306 HG21 THR 40 1HG2 THR 40 -8.109 20.742 -5.137 307 HG22 THR 40 2HG2 THR 40 -8.107 21.002 -6.899 308 HG23 THR 40 3HG2 THR 40 -9.002 19.632 -6.202 309 H THR 41 H THR 41 -6.626 16.147 -7.381 310 HA THR 41 HA THR 41 -3.712 16.188 -8.031 311 HB THR 41 HB THR 41 -3.285 14.474 -6.357 312 HG1 THR 41 HG1 THR 41 -4.872 13.340 -5.532 313 HG21 THR 41 1HG2 THR 41 -3.785 15.725 -4.294 314 HG22 THR 41 2HG2 THR 41 -3.236 16.820 -5.584 315 HG23 THR 41 3HG2 THR 41 -4.965 16.720 -5.177 316 H GLY 42 H GLY 42 -2.869 14.048 -8.705 317 HA2 GLY 42 1HA GLY 42 -4.486 12.827 -10.745 318 HA3 GLY 42 2HA GLY 42 -2.946 12.233 -10.152 319 H SER 43 H SER 43 -3.807 12.069 -7.353 320 HA SER 43 HA SER 43 -5.003 9.449 -7.381 321 HB2 SER 43 1HB SER 43 -4.934 9.609 -4.966 322 HB3 SER 43 2HB SER 43 -3.435 10.237 -5.631 323 HG SER 43 HG SER 43 -5.215 11.427 -4.095 324 H ALA 44 H ALA 44 -6.236 12.722 -6.900 325 HA ALA 44 HA ALA 44 -8.877 11.950 -6.100 326 HB1 ALA 44 1HB ALA 44 -9.514 14.236 -6.798 327 HB2 ALA 44 2HB ALA 44 -8.035 14.237 -5.808 328 HB3 ALA 44 3HB ALA 44 -7.926 14.434 -7.572 329 H TRP 45 H TRP 45 -7.370 12.498 -9.269 330 HA TRP 45 HA TRP 45 -9.641 12.157 -10.898 331 HB2 TRP 45 1HB TRP 45 -7.281 12.762 -11.629 332 HB3 TRP 45 2HB TRP 45 -6.868 11.059 -11.487 333 HD1 TRP 45 HD1 TRP 45 -9.414 13.274 -13.442 334 HE1 TRP 45 HE1 TRP 45 -9.829 12.188 -15.751 335 HE3 TRP 45 HE3 TRP 45 -6.585 9.039 -12.839 336 HZ2 TRP 45 HZ2 TRP 45 -9.043 9.843 -17.114 337 HZ3 TRP 45 HZ3 TRP 45 -6.459 7.413 -14.684 338 HH2 TRP 45 HH2 TRP 45 -7.665 7.804 -16.792 339 H PHE 46 H PHE 46 -7.480 9.705 -9.473 340 HA PHE 46 HA PHE 46 -8.956 7.485 -10.617 341 HB2 PHE 46 1HB PHE 46 -6.845 7.712 -8.450 342 HB3 PHE 46 2HB PHE 46 -7.614 6.181 -8.833 343 HD1 PHE 46 HD1 PHE 46 -4.875 8.231 -9.512 344 HD2 PHE 46 HD2 PHE 46 -7.637 5.604 -11.441 345 HE1 PHE 46 HE1 PHE 46 -3.258 7.881 -11.349 346 HE2 PHE 46 HE2 PHE 46 -6.022 5.249 -13.278 347 HZ PHE 46 HZ PHE 46 -3.831 6.390 -13.231 348 H SER 47 H SER 47 -9.078 9.320 -7.615 349 HA SER 47 HA SER 47 -10.560 7.461 -6.059 350 HB2 SER 47 1HB SER 47 -10.492 10.495 -5.996 351 HB3 SER 47 2HB SER 47 -11.266 9.504 -4.769 352 HG SER 47 HG SER 47 -8.561 9.500 -5.538 353 H PHE 48 H PHE 48 -11.609 10.010 -8.308 354 HA PHE 48 HA PHE 48 -14.428 9.575 -7.792 355 HB2 PHE 48 1HB PHE 48 -12.864 11.071 -9.911 356 HB3 PHE 48 2HB PHE 48 -14.606 10.881 -10.040 357 HD1 PHE 48 HD1 PHE 48 -12.057 12.953 -8.869 358 HD2 PHE 48 HD2 PHE 48 -15.931 11.499 -7.803 359 HE1 PHE 48 HE1 PHE 48 -12.378 14.903 -7.383 360 HE2 PHE 48 HE2 PHE 48 -16.257 13.450 -6.320 361 HZ PHE 48 HZ PHE 48 -14.478 15.151 -6.108 362 H LEU 49 H LEU 49 -12.086 8.418 -10.188 363 HA LEU 49 HA LEU 49 -13.903 6.993 -11.844 364 HB2 LEU 49 1HB LEU 49 -10.997 6.515 -11.122 365 HB3 LEU 49 2HB LEU 49 -11.865 5.519 -12.295 366 HG LEU 49 HG LEU 49 -11.477 8.520 -12.563 367 HD11 LEU 49 1HD1 LEU 49 -9.769 7.941 -14.228 368 HD12 LEU 49 2HD1 LEU 49 -9.332 7.353 -12.606 369 HD13 LEU 49 3HD1 LEU 49 -9.961 6.218 -13.825 370 HD21 LEU 49 1HD2 LEU 49 -12.187 8.082 -14.890 371 HD22 LEU 49 2HD2 LEU 49 -12.413 6.360 -14.497 372 HD23 LEU 49 3HD2 LEU 49 -13.448 7.591 -13.733 373 H GLU 50 H GLU 50 -12.280 6.104 -8.811 374 HA GLU 50 HA GLU 50 -13.408 3.440 -8.732 375 HB2 GLU 50 1HB GLU 50 -11.370 4.096 -7.460 376 HB3 GLU 50 2HB GLU 50 -12.338 5.183 -6.475 377 HG2 GLU 50 1HG GLU 50 -11.998 3.225 -5.203 378 HG3 GLU 50 2HG GLU 50 -13.680 3.197 -5.728 379 H SER 51 H SER 51 -14.322 6.590 -7.354 380 HA SER 51 HA SER 51 -16.425 5.597 -5.702 381 HB2 SER 51 1HB SER 51 -16.018 8.325 -6.971 382 HB3 SER 51 2HB SER 51 -17.227 7.971 -5.747 383 HG SER 51 HG SER 51 -14.432 7.783 -5.551 384 H HIS 52 H HIS 52 -16.316 6.583 -9.092 385 HA HIS 52 HA HIS 52 -19.274 6.319 -9.297 386 HB2 HIS 52 1HB HIS 52 -17.206 7.339 -11.278 387 HB3 HIS 52 2HB HIS 52 -18.934 7.247 -11.588 388 HD1 HIS 52 HD1 HIS 52 -20.357 8.563 -9.459 389 HD2 HIS 52 HD2 HIS 52 -16.487 9.934 -10.413 390 HE1 HIS 52 HE1 HIS 52 -20.247 10.873 -8.669 391 H ASN 53 H ASN 53 -16.955 4.167 -9.183 392 HA ASN 53 HA ASN 53 -16.706 2.034 -10.017 393 HB2 ASN 53 1HB ASN 53 -19.613 2.470 -10.777 394 HB3 ASN 53 2HB ASN 53 -18.793 0.915 -10.793 395 HD21 ASN 53 1HD2 ASN 53 -20.635 1.849 -7.533 396 HD22 ASN 53 2HD2 ASN 53 -21.036 2.251 -9.169 397 H LYS 54 H LYS 54 -15.537 3.797 -11.632 398 HA LYS 54 HA LYS 54 -16.345 2.927 -14.374 399 HB2 LYS 54 1HB LYS 54 -14.764 5.386 -13.522 400 HB3 LYS 54 2HB LYS 54 -15.127 4.937 -15.183 401 HG2 LYS 54 1HG LYS 54 -17.193 5.615 -13.067 402 HG3 LYS 54 2HG LYS 54 -16.612 6.706 -14.333 403 HD2 LYS 54 1HD LYS 54 -17.440 5.125 -16.061 404 HD3 LYS 54 2HD LYS 54 -18.048 4.063 -14.782 405 HE2 LYS 54 1HE LYS 54 -19.515 5.900 -13.976 406 HE3 LYS 54 2HE LYS 54 -18.931 6.929 -15.285 407 HZ1 LYS 54 1HZ LYS 54 -21.007 5.891 -15.837 408 HZ2 LYS 54 2HZ LYS 54 -19.824 5.345 -16.850 409 HZ3 LYS 54 3HZ LYS 54 -20.372 4.384 -15.627 410 H LEU 55 H LEU 55 -13.393 3.963 -12.620 411 HA LEU 55 HA LEU 55 -12.023 1.589 -13.786 412 HB2 LEU 55 1HB LEU 55 -10.945 4.429 -13.697 413 HB3 LEU 55 2HB LEU 55 -9.992 3.003 -14.119 414 HG LEU 55 HG LEU 55 -12.415 3.966 -15.680 415 HD11 LEU 55 1HD1 LEU 55 -10.772 4.785 -17.310 416 HD12 LEU 55 2HD1 LEU 55 -10.612 5.612 -15.742 417 HD13 LEU 55 3HD1 LEU 55 -9.452 4.343 -16.202 418 HD21 LEU 55 1HD2 LEU 55 -11.546 2.399 -17.384 419 HD22 LEU 55 2HD2 LEU 55 -10.236 1.921 -16.277 420 HD23 LEU 55 3HD2 LEU 55 -11.928 1.549 -15.867 421 H ASP 56 H ASP 56 -10.401 0.679 -12.550 422 HA ASP 56 HA ASP 56 -10.795 0.927 -9.719 423 HB2 ASP 56 1HB ASP 56 -8.695 -0.523 -11.371 424 HB3 ASP 56 2HB ASP 56 -8.765 -0.618 -9.617 425 H LYS 57 H LYS 57 -9.640 1.882 -8.135 426 HA LYS 57 HA LYS 57 -7.784 4.000 -8.951 427 HB2 LYS 57 1HB LYS 57 -9.416 4.473 -7.194 428 HB3 LYS 57 2HB LYS 57 -8.824 3.130 -6.227 429 HG2 LYS 57 1HG LYS 57 -6.727 4.247 -5.821 430 HG3 LYS 57 2HG LYS 57 -7.129 5.527 -6.975 431 HD2 LYS 57 1HD LYS 57 -9.029 6.220 -5.558 432 HD3 LYS 57 2HD LYS 57 -8.651 4.926 -4.411 433 HE2 LYS 57 1HE LYS 57 -6.455 5.935 -3.960 434 HE3 LYS 57 2HE LYS 57 -6.771 7.199 -5.153 435 HZ1 LYS 57 1HZ LYS 57 -7.215 7.949 -2.933 436 HZ2 LYS 57 2HZ LYS 57 -8.615 7.930 -3.804 437 HZ3 LYS 57 3HZ LYS 57 -8.320 6.751 -2.689 438 H ASP 58 H ASP 58 -7.638 0.824 -7.448 439 HA ASP 58 HA ASP 58 -4.836 1.273 -6.623 440 HB2 ASP 58 1HB ASP 58 -6.742 -1.062 -6.201 441 HB3 ASP 58 2HB ASP 58 -5.079 -1.038 -5.630 442 H ASN 59 H ASN 59 -6.244 0.563 -9.448 443 HA ASN 59 HA ASN 59 -4.659 -1.740 -10.262 444 HB2 ASN 59 1HB ASN 59 -6.853 -1.179 -11.286 445 HB3 ASN 59 2HB ASN 59 -6.157 0.295 -11.945 446 HD21 ASN 59 1HD2 ASN 59 -6.028 -2.892 -14.166 447 HD22 ASN 59 2HD2 ASN 59 -7.191 -2.482 -12.952 448 H LEU 60 H LEU 60 -2.621 -1.800 -10.821 449 HA LEU 60 HA LEU 60 -1.107 0.668 -10.622 450 HB2 LEU 60 1HB LEU 60 -0.222 -2.158 -11.309 451 HB3 LEU 60 2HB LEU 60 0.859 -0.810 -10.946 452 HG LEU 60 HG LEU 60 -1.117 -2.076 -9.014 453 HD11 LEU 60 1HD1 LEU 60 0.911 -2.881 -7.889 454 HD12 LEU 60 2HD1 LEU 60 0.783 -3.514 -9.547 455 HD13 LEU 60 3HD1 LEU 60 1.909 -2.182 -9.187 456 HD21 LEU 60 1HD2 LEU 60 -0.021 -0.614 -7.349 457 HD22 LEU 60 2HD2 LEU 60 0.964 0.117 -8.639 458 HD23 LEU 60 3HD2 LEU 60 -0.802 0.346 -8.629 459 H SER 61 H SER 61 -2.320 -1.326 -13.211 460 HA SER 61 HA SER 61 -0.525 -0.200 -15.223 461 HB2 SER 61 1HB SER 61 -1.748 -1.526 -16.793 462 HB3 SER 61 2HB SER 61 -1.528 -2.501 -15.347 463 HG SER 61 HG SER 61 -3.630 -1.683 -14.713 464 H TYR 62 H TYR 62 -3.603 0.603 -13.815 465 HA TYR 62 HA TYR 62 -4.287 2.562 -15.864 466 HB2 TYR 62 1HB TYR 62 -5.279 2.066 -13.034 467 HB3 TYR 62 2HB TYR 62 -5.865 3.397 -14.023 468 HD1 TYR 62 HD1 TYR 62 -5.255 1.123 -16.452 469 HD2 TYR 62 HD2 TYR 62 -7.852 1.646 -13.077 470 HE1 TYR 62 HE1 TYR 62 -6.915 -0.382 -17.496 471 HE2 TYR 62 HE2 TYR 62 -9.512 0.140 -14.120 472 HH TYR 62 HH TYR 62 -10.002 -1.127 -15.871 473 H ILE 63 H ILE 63 -2.469 2.541 -12.842 474 HA ILE 63 HA ILE 63 -1.966 5.370 -12.778 475 HB ILE 63 HB ILE 63 -0.405 2.995 -11.687 476 HG12 ILE 63 1HG1 ILE 63 -2.060 5.078 -10.248 477 HG13 ILE 63 2HG1 ILE 63 -2.680 3.514 -10.753 478 HG21 ILE 63 1HG2 ILE 63 0.876 4.642 -10.381 479 HG22 ILE 63 2HG2 ILE 63 1.133 4.871 -12.126 480 HG23 ILE 63 3HG2 ILE 63 0.052 5.968 -11.235 481 HD11 ILE 63 1HD1 ILE 63 -2.030 3.485 -8.411 482 HD12 ILE 63 2HD1 ILE 63 -1.002 2.384 -9.360 483 HD13 ILE 63 3HD1 ILE 63 -0.374 3.968 -8.847 484 H GLU 64 H GLU 64 -0.373 2.641 -14.409 485 HA GLU 64 HA GLU 64 1.599 4.200 -15.771 486 HB2 GLU 64 1HB GLU 64 1.587 1.721 -15.750 487 HB3 GLU 64 2HB GLU 64 0.109 1.713 -16.701 488 HG2 GLU 64 1HG GLU 64 1.306 2.830 -18.552 489 HG3 GLU 64 2HG GLU 64 2.788 2.795 -17.598 490 H HIS 65 H HIS 65 -1.797 3.443 -16.524 491 HA HIS 65 HA HIS 65 -1.862 4.491 -19.154 492 HB2 HIS 65 1HB HIS 65 -3.692 3.154 -18.215 493 HB3 HIS 65 2HB HIS 65 -4.057 4.423 -17.053 494 HD1 HIS 65 HD1 HIS 65 -4.069 3.826 -20.816 495 HD2 HIS 65 HD2 HIS 65 -5.942 6.346 -18.006 496 HE1 HIS 65 HE1 HIS 65 -5.703 5.138 -22.071 497 H ILE 66 H ILE 66 -2.544 6.120 -16.049 498 HA ILE 66 HA ILE 66 -3.353 8.586 -17.213 499 HB ILE 66 HB ILE 66 -3.723 7.845 -14.804 500 HG12 ILE 66 1HG1 ILE 66 -2.550 10.604 -15.225 501 HG13 ILE 66 2HG1 ILE 66 -4.190 10.124 -15.630 502 HG21 ILE 66 1HG2 ILE 66 -1.952 8.409 -13.190 503 HG22 ILE 66 2HG2 ILE 66 -1.406 7.153 -14.324 504 HG23 ILE 66 3HG2 ILE 66 -0.860 8.834 -14.528 505 HD11 ILE 66 1HD1 ILE 66 -4.123 11.313 -13.511 506 HD12 ILE 66 2HD1 ILE 66 -4.643 9.628 -13.267 507 HD13 ILE 66 3HD1 ILE 66 -2.982 10.117 -12.856 508 H PHE 67 H PHE 67 -0.197 7.240 -16.539 509 HA PHE 67 HA PHE 67 1.269 9.712 -16.731 510 HB2 PHE 67 1HB PHE 67 2.116 6.824 -17.175 511 HB3 PHE 67 2HB PHE 67 3.230 8.181 -17.161 512 HD1 PHE 67 HD1 PHE 67 1.307 9.509 -14.890 513 HD2 PHE 67 HD2 PHE 67 3.517 5.882 -15.343 514 HE1 PHE 67 HE1 PHE 67 1.504 9.326 -12.433 515 HE2 PHE 67 HE2 PHE 67 3.714 5.693 -12.886 516 HZ PHE 67 HZ PHE 67 2.708 7.417 -11.431 517 H GLU 68 H GLU 68 0.269 7.244 -19.074 518 HA GLU 68 HA GLU 68 1.729 8.337 -21.291 519 HB2 GLU 68 1HB GLU 68 0.825 6.029 -21.261 520 HB3 GLU 68 2HB GLU 68 -0.815 6.662 -21.262 521 HG2 GLU 68 1HG GLU 68 -0.471 7.641 -23.469 522 HG3 GLU 68 2HG GLU 68 1.208 7.106 -23.468 523 H ILE 69 H ILE 69 -1.657 8.727 -20.208 524 HA ILE 69 HA ILE 69 -2.309 10.403 -22.487 525 HB ILE 69 HB ILE 69 -4.496 10.691 -21.377 526 HG12 ILE 69 1HG1 ILE 69 -3.288 9.194 -19.039 527 HG13 ILE 69 2HG1 ILE 69 -3.592 10.924 -19.074 528 HG21 ILE 69 1HG2 ILE 69 -5.147 8.319 -21.257 529 HG22 ILE 69 2HG2 ILE 69 -4.072 8.618 -22.643 530 HG23 ILE 69 3HG2 ILE 69 -3.433 7.849 -21.172 531 HD11 ILE 69 1HD1 ILE 69 -5.362 9.747 -17.894 532 HD12 ILE 69 2HD1 ILE 69 -5.994 10.510 -19.373 533 HD13 ILE 69 3HD1 ILE 69 -5.688 8.757 -19.336 534 H SER 70 H SER 70 -0.983 10.937 -19.339 535 HA SER 70 HA SER 70 -1.534 13.835 -19.458 536 HB2 SER 70 1HB SER 70 -0.399 13.938 -17.320 537 HB3 SER 70 2HB SER 70 -1.576 12.633 -17.291 538 HG SER 70 HG SER 70 -0.009 11.175 -17.484 539 H ARG 71 H ARG 71 0.485 11.856 -21.070 540 HA ARG 71 HA ARG 71 2.367 12.259 -22.332 541 HB2 ARG 71 1HB ARG 71 1.861 15.148 -21.545 542 HB3 ARG 71 2HB ARG 71 2.983 14.621 -22.790 543 HG2 ARG 71 1HG ARG 71 1.120 13.692 -24.094 544 HG3 ARG 71 2HG ARG 71 -0.019 14.217 -22.829 545 HD2 ARG 71 1HD ARG 71 1.814 16.036 -24.374 546 HD3 ARG 71 2HD ARG 71 0.097 15.747 -24.739 547 HE ARG 71 HE ARG 71 0.346 16.524 -22.030 548 HH11 ARG 71 1HH1 ARG 71 0.687 17.847 -25.266 549 HH12 ARG 71 2HH1 ARG 71 0.282 19.477 -24.778 550 HH21 ARG 71 1HH2 ARG 71 -0.180 18.644 -21.408 551 HH22 ARG 71 2HH2 ARG 71 -0.209 19.929 -22.595 552 H ARG 72 H ARG 72 2.998 11.210 -19.993 553 HA ARG 72 HA ARG 72 5.488 12.704 -19.293 554 HB2 ARG 72 1HB ARG 72 3.705 11.114 -17.417 555 HB3 ARG 72 2HB ARG 72 5.302 11.716 -17.000 556 HG2 ARG 72 1HG ARG 72 2.974 13.474 -17.814 557 HG3 ARG 72 2HG ARG 72 3.452 13.114 -16.138 558 HD2 ARG 72 1HD ARG 72 5.678 14.054 -16.630 559 HD3 ARG 72 2HD ARG 72 5.079 14.524 -18.238 560 HE ARG 72 HE ARG 72 4.445 15.755 -15.672 561 HH11 ARG 72 1HH1 ARG 72 3.567 15.400 -19.055 562 HH12 ARG 72 2HH1 ARG 72 2.666 16.897 -19.108 563 HH21 ARG 72 1HH2 ARG 72 3.272 17.697 -15.753 564 HH22 ARG 72 2HH2 ARG 72 2.498 18.199 -17.239 565 HA PRO 73 HA PRO 73 6.563 8.555 -20.843 566 HB2 PRO 73 1HB PRO 73 8.778 9.346 -22.272 567 HB3 PRO 73 2HB PRO 73 7.139 9.451 -22.927 568 HG2 PRO 73 1HG PRO 73 8.803 11.625 -21.588 569 HG3 PRO 73 2HG PRO 73 7.896 11.719 -23.100 570 HD2 PRO 73 1HD PRO 73 6.845 12.660 -20.776 571 HD3 PRO 73 2HD PRO 73 5.803 11.852 -22.015 572 H ASP 74 H ASP 74 8.232 11.099 -19.128 573 HA ASP 74 HA ASP 74 10.527 9.590 -18.283 574 HB2 ASP 74 1HB ASP 74 9.097 11.988 -17.083 575 HB3 ASP 74 2HB ASP 74 10.558 11.302 -16.389 576 H LEU 75 H LEU 75 7.291 10.102 -16.891 577 HA LEU 75 HA LEU 75 7.808 8.502 -14.543 578 HB2 LEU 75 1HB LEU 75 5.230 9.371 -15.892 579 HB3 LEU 75 2HB LEU 75 5.292 8.505 -14.353 580 HG LEU 75 HG LEU 75 6.490 11.251 -14.866 581 HD11 LEU 75 1HD1 LEU 75 4.629 12.050 -13.478 582 HD12 LEU 75 2HD1 LEU 75 4.049 11.262 -14.964 583 HD13 LEU 75 3HD1 LEU 75 3.971 10.399 -13.409 584 HD21 LEU 75 1HD2 LEU 75 6.764 11.273 -12.409 585 HD22 LEU 75 2HD2 LEU 75 6.134 9.609 -12.324 586 HD23 LEU 75 3HD2 LEU 75 7.681 9.935 -13.144 587 H LEU 76 H LEU 76 6.423 7.861 -17.747 588 HA LEU 76 HA LEU 76 5.686 5.150 -17.291 589 HB2 LEU 76 1HB LEU 76 6.603 6.621 -19.781 590 HB3 LEU 76 2HB LEU 76 6.069 4.938 -19.803 591 HG LEU 76 HG LEU 76 4.351 7.279 -18.905 592 HD11 LEU 76 1HD1 LEU 76 3.215 6.983 -21.060 593 HD12 LEU 76 2HD1 LEU 76 4.921 7.439 -21.274 594 HD13 LEU 76 3HD1 LEU 76 4.412 5.753 -21.524 595 HD21 LEU 76 1HD2 LEU 76 2.534 5.612 -19.071 596 HD22 LEU 76 2HD2 LEU 76 3.722 4.359 -19.508 597 HD23 LEU 76 3HD2 LEU 76 3.764 5.101 -17.890 598 H THR 77 H THR 77 8.765 6.633 -18.278 599 HA THR 77 HA THR 77 10.211 4.216 -18.674 600 HB THR 77 HB THR 77 11.200 6.935 -17.713 601 HG1 THR 77 HG1 THR 77 10.332 7.098 -19.760 602 HG21 THR 77 1HG2 THR 77 13.404 6.168 -18.502 603 HG22 THR 77 2HG2 THR 77 12.801 5.127 -17.191 604 HG23 THR 77 3HG2 THR 77 12.718 4.570 -18.878 605 H MET 78 H MET 78 9.664 6.175 -15.753 606 HA MET 78 HA MET 78 11.340 4.627 -14.034 607 HB2 MET 78 1HB MET 78 8.920 6.381 -13.489 608 HB3 MET 78 2HB MET 78 9.858 5.626 -12.208 609 HG2 MET 78 1HG MET 78 10.910 7.611 -14.244 610 HG3 MET 78 2HG MET 78 10.520 7.950 -12.555 611 HE1 MET 78 1HE MET 78 13.238 5.933 -10.614 612 HE2 MET 78 2HE MET 78 11.899 7.101 -10.497 613 HE3 MET 78 3HE MET 78 11.577 5.424 -11.003 614 H VAL 79 H VAL 79 7.905 4.343 -14.895 615 HA VAL 79 HA VAL 79 7.242 2.205 -13.165 616 HB VAL 79 HB VAL 79 6.255 2.916 -15.955 617 HG11 VAL 79 1HG1 VAL 79 4.360 1.427 -15.534 618 HG12 VAL 79 2HG1 VAL 79 5.902 0.541 -15.599 619 HG13 VAL 79 3HG1 VAL 79 5.131 0.872 -14.030 620 HG21 VAL 79 1HG2 VAL 79 4.299 3.761 -14.697 621 HG22 VAL 79 2HG2 VAL 79 5.076 3.281 -13.169 622 HG23 VAL 79 3HG2 VAL 79 5.798 4.563 -14.171 623 H VAL 80 H VAL 80 8.567 2.153 -16.487 624 HA VAL 80 HA VAL 80 8.727 -0.676 -16.728 625 HB VAL 80 HB VAL 80 10.401 1.541 -17.978 626 HG11 VAL 80 1HG1 VAL 80 11.117 -0.122 -19.625 627 HG12 VAL 80 2HG1 VAL 80 11.677 -0.525 -17.984 628 HG13 VAL 80 3HG1 VAL 80 10.297 -1.396 -18.693 629 HG21 VAL 80 1HG2 VAL 80 8.974 1.086 -19.947 630 HG22 VAL 80 2HG2 VAL 80 8.088 -0.147 -19.019 631 HG23 VAL 80 3HG2 VAL 80 7.996 1.564 -18.540 632 H ASP 81 H ASP 81 11.047 1.726 -15.485 633 HA ASP 81 HA ASP 81 13.206 -0.073 -15.049 634 HB2 ASP 81 1HB ASP 81 12.420 2.532 -13.698 635 HB3 ASP 81 2HB ASP 81 13.888 1.660 -13.281 636 H TYR 82 H TYR 82 10.500 0.907 -12.951 637 HA TYR 82 HA TYR 82 11.399 -0.560 -10.656 638 HB2 TYR 82 1HB TYR 82 8.712 0.549 -11.518 639 HB3 TYR 82 2HB TYR 82 8.877 -0.397 -10.045 640 HD1 TYR 82 HD1 TYR 82 8.428 2.765 -10.980 641 HD2 TYR 82 HD2 TYR 82 11.354 0.457 -8.853 642 HE1 TYR 82 HE1 TYR 82 9.138 4.792 -9.756 643 HE2 TYR 82 HE2 TYR 82 12.063 2.484 -7.629 644 HH TYR 82 HH TYR 82 10.511 5.630 -8.224 645 H ARG 83 H ARG 83 9.265 -1.385 -13.370 646 HA ARG 83 HA ARG 83 8.529 -3.967 -12.322 647 HB2 ARG 83 1HB ARG 83 8.479 -2.796 -15.119 648 HB3 ARG 83 2HB ARG 83 7.898 -4.413 -14.749 649 HG2 ARG 83 1HG ARG 83 6.195 -3.505 -13.266 650 HG3 ARG 83 2HG ARG 83 6.817 -1.858 -13.532 651 HD2 ARG 83 1HD ARG 83 6.319 -2.081 -15.915 652 HD3 ARG 83 2HD ARG 83 5.643 -3.696 -15.605 653 HE ARG 83 HE ARG 83 4.314 -1.986 -13.875 654 HH11 ARG 83 1HH1 ARG 83 4.752 -2.263 -17.349 655 HH12 ARG 83 2HH1 ARG 83 3.199 -1.554 -17.728 656 HH21 ARG 83 1HH2 ARG 83 2.300 -1.067 -14.379 657 HH22 ARG 83 2HH2 ARG 83 1.810 -0.877 -16.048 658 H THR 84 H THR 84 11.148 -2.780 -14.384 659 HA THR 84 HA THR 84 12.230 -5.321 -15.103 660 HB THR 84 HB THR 84 13.650 -2.655 -14.677 661 HG1 THR 84 HG1 THR 84 12.135 -2.503 -16.319 662 HG21 THR 84 1HG2 THR 84 15.403 -3.617 -16.115 663 HG22 THR 84 2HG2 THR 84 15.210 -4.571 -14.624 664 HG23 THR 84 3HG2 THR 84 14.527 -5.165 -16.156 665 H ARG 85 H ARG 85 12.795 -3.210 -12.291 666 HA ARG 85 HA ARG 85 14.812 -4.790 -11.067 667 HB2 ARG 85 1HB ARG 85 12.706 -2.949 -9.899 668 HB3 ARG 85 2HB ARG 85 13.945 -3.719 -8.922 669 HG2 ARG 85 1HG ARG 85 15.696 -2.571 -10.170 670 HG3 ARG 85 2HG ARG 85 14.473 -1.840 -11.238 671 HD2 ARG 85 1HD ARG 85 13.482 -0.715 -9.327 672 HD3 ARG 85 2HD ARG 85 14.712 -1.440 -8.265 673 HE ARG 85 HE ARG 85 16.033 -0.095 -10.359 674 HH11 ARG 85 1HH1 ARG 85 14.025 0.620 -7.567 675 HH12 ARG 85 2HH1 ARG 85 14.730 2.200 -7.308 676 HH21 ARG 85 1HH2 ARG 85 16.940 1.958 -10.013 677 HH22 ARG 85 2HH2 ARG 85 16.379 2.959 -8.692 678 H VAL 86 H VAL 86 11.264 -4.955 -10.900 679 HA VAL 86 HA VAL 86 11.105 -7.073 -8.996 680 HB VAL 86 HB VAL 86 9.265 -6.289 -11.294 681 HG11 VAL 86 1HG1 VAL 86 7.549 -7.641 -10.193 682 HG12 VAL 86 2HG1 VAL 86 8.917 -8.630 -10.753 683 HG13 VAL 86 3HG1 VAL 86 8.758 -8.227 -9.027 684 HG21 VAL 86 1HG2 VAL 86 7.920 -5.297 -9.470 685 HG22 VAL 86 2HG2 VAL 86 9.147 -5.809 -8.288 686 HG23 VAL 86 3HG2 VAL 86 9.552 -4.592 -9.521 687 H LEU 87 H LEU 87 11.366 -7.075 -12.552 688 HA LEU 87 HA LEU 87 11.106 -9.897 -12.881 689 HB2 LEU 87 1HB LEU 87 12.475 -7.774 -14.562 690 HB3 LEU 87 2HB LEU 87 12.313 -9.458 -15.072 691 HG LEU 87 HG LEU 87 9.980 -7.605 -14.469 692 HD11 LEU 87 1HD1 LEU 87 9.698 -7.535 -16.906 693 HD12 LEU 87 2HD1 LEU 87 11.258 -6.844 -16.405 694 HD13 LEU 87 3HD1 LEU 87 11.193 -8.478 -17.107 695 HD21 LEU 87 1HD2 LEU 87 8.674 -9.394 -15.566 696 HD22 LEU 87 2HD2 LEU 87 10.155 -10.365 -15.748 697 HD23 LEU 87 3HD2 LEU 87 9.518 -10.011 -14.125 698 H LYS 88 H LYS 88 13.824 -7.837 -12.041 699 HA LYS 88 HA LYS 88 15.883 -9.786 -12.511 700 HB2 LYS 88 1HB LYS 88 15.738 -7.327 -10.731 701 HB3 LYS 88 2HB LYS 88 17.181 -8.325 -10.851 702 HG2 LYS 88 1HG LYS 88 17.300 -7.867 -13.275 703 HG3 LYS 88 2HG LYS 88 15.851 -6.859 -13.150 704 HD2 LYS 88 1HD LYS 88 17.008 -5.345 -11.600 705 HD3 LYS 88 2HD LYS 88 18.448 -6.372 -11.644 706 HE2 LYS 88 1HE LYS 88 18.664 -5.953 -14.078 707 HE3 LYS 88 2HE LYS 88 17.237 -4.915 -14.022 708 HZ1 LYS 88 1HZ LYS 88 19.255 -3.647 -13.919 709 HZ2 LYS 88 2HZ LYS 88 18.417 -3.473 -12.509 710 HZ3 LYS 88 3HZ LYS 88 19.749 -4.443 -12.562 711 H ILE 89 H ILE 89 13.536 -9.372 -9.998 712 HA ILE 89 HA ILE 89 15.026 -10.877 -7.996 713 HB ILE 89 HB ILE 89 12.107 -10.015 -8.130 714 HG12 ILE 89 1HG1 ILE 89 14.370 -8.919 -6.450 715 HG13 ILE 89 2HG1 ILE 89 13.870 -8.228 -7.985 716 HG21 ILE 89 1HG2 ILE 89 12.029 -10.601 -5.740 717 HG22 ILE 89 2HG2 ILE 89 12.376 -12.032 -6.738 718 HG23 ILE 89 3HG2 ILE 89 13.687 -11.237 -5.837 719 HD11 ILE 89 1HD1 ILE 89 12.884 -7.023 -6.118 720 HD12 ILE 89 2HD1 ILE 89 11.621 -7.822 -7.085 721 HD13 ILE 89 3HD1 ILE 89 12.127 -8.520 -5.529 722 H SER 90 H SER 90 15.201 -12.987 -7.815 723 HA SER 90 HA SER 90 13.009 -14.768 -8.518 724 HB2 SER 90 1HB SER 90 13.942 -14.388 -10.749 725 HB3 SER 90 2HB SER 90 15.551 -14.799 -10.177 726 HG SER 90 HG SER 90 13.298 -16.415 -10.498 Start of MODEL 10 1 H1 MET 1 1H MET 1 -1.523 -0.713 -0.904 2 H2 MET 1 2H MET 1 -0.863 0.427 0.060 3 H3 MET 1 3H MET 1 -2.048 0.830 -0.987 4 HA MET 1 HA MET 1 0.627 -0.088 -1.675 5 HB2 MET 1 1HB MET 1 -1.683 0.800 -3.446 6 HB3 MET 1 2HB MET 1 -0.054 0.450 -4.008 7 HG2 MET 1 1HG MET 1 -1.903 -1.553 -2.680 8 HG3 MET 1 2HG MET 1 -1.638 -1.397 -4.419 9 HE1 MET 1 1HE MET 1 2.019 -2.567 -4.906 10 HE2 MET 1 2HE MET 1 0.473 -2.162 -5.692 11 HE3 MET 1 3HE MET 1 1.385 -0.905 -4.821 12 H ALA 2 H ALA 2 1.200 1.627 -0.088 13 HA ALA 2 HA ALA 2 0.529 4.358 -0.594 14 HB1 ALA 2 1HB ALA 2 2.421 4.874 0.915 15 HB2 ALA 2 2HB ALA 2 1.381 3.589 1.576 16 HB3 ALA 2 3HB ALA 2 2.941 3.176 0.829 17 H GLU 3 H GLU 3 3.195 2.301 -1.692 18 HA GLU 3 HA GLU 3 4.705 4.388 -2.941 19 HB2 GLU 3 1HB GLU 3 5.590 2.108 -2.418 20 HB3 GLU 3 2HB GLU 3 4.561 1.435 -3.674 21 HG2 GLU 3 1HG GLU 3 6.732 1.632 -4.584 22 HG3 GLU 3 2HG GLU 3 5.750 2.886 -5.336 23 H TYR 4 H TYR 4 2.137 2.231 -4.126 24 HA TYR 4 HA TYR 4 2.235 2.955 -6.854 25 HB2 TYR 4 1HB TYR 4 0.877 1.084 -6.042 26 HB3 TYR 4 2HB TYR 4 -0.150 2.181 -5.129 27 HD1 TYR 4 HD1 TYR 4 0.928 1.302 -8.585 28 HD2 TYR 4 HD2 TYR 4 -2.025 3.187 -6.108 29 HE1 TYR 4 HE1 TYR 4 -0.565 1.533 -10.540 30 HE2 TYR 4 HE2 TYR 4 -3.519 3.417 -8.064 31 HH TYR 4 HH TYR 4 -2.684 2.011 -11.191 32 H GLY 5 H GLY 5 0.246 4.379 -4.242 33 HA2 GLY 5 1HA GLY 5 -0.921 6.423 -5.867 34 HA3 GLY 5 2HA GLY 5 -0.826 6.434 -4.116 35 H THR 6 H THR 6 2.009 6.314 -3.839 36 HA THR 6 HA THR 6 2.639 9.085 -3.977 37 HB THR 6 HB THR 6 4.490 6.682 -3.663 38 HG1 THR 6 HG1 THR 6 3.093 6.779 -1.946 39 HG21 THR 6 1HG2 THR 6 6.074 8.303 -2.697 40 HG22 THR 6 2HG2 THR 6 5.712 8.702 -4.393 41 HG23 THR 6 3HG2 THR 6 4.954 9.631 -3.079 42 H LEU 7 H LEU 7 3.528 6.362 -6.088 43 HA LEU 7 HA LEU 7 5.350 7.896 -7.699 44 HB2 LEU 7 1HB LEU 7 3.858 5.302 -8.209 45 HB3 LEU 7 2HB LEU 7 5.049 5.977 -9.324 46 HG LEU 7 HG LEU 7 5.622 5.128 -6.462 47 HD11 LEU 7 1HD1 LEU 7 6.792 3.242 -7.510 48 HD12 LEU 7 2HD1 LEU 7 5.055 3.234 -7.895 49 HD13 LEU 7 3HD1 LEU 7 6.234 3.784 -9.109 50 HD21 LEU 7 1HD2 LEU 7 7.976 5.427 -7.153 51 HD22 LEU 7 2HD2 LEU 7 7.436 6.000 -8.750 52 HD23 LEU 7 3HD2 LEU 7 7.070 6.953 -7.292 53 H LEU 8 H LEU 8 1.886 7.213 -7.880 54 HA LEU 8 HA LEU 8 1.415 8.419 -10.425 55 HB2 LEU 8 1HB LEU 8 -0.304 8.069 -7.955 56 HB3 LEU 8 2HB LEU 8 -0.912 8.832 -9.427 57 HG LEU 8 HG LEU 8 0.170 5.996 -9.278 58 HD11 LEU 8 1HD1 LEU 8 -2.186 5.326 -9.433 59 HD12 LEU 8 2HD1 LEU 8 -1.861 6.251 -7.948 60 HD13 LEU 8 3HD1 LEU 8 -2.679 7.032 -9.323 61 HD21 LEU 8 1HD2 LEU 8 -0.869 5.811 -11.513 62 HD22 LEU 8 2HD2 LEU 8 -1.343 7.525 -11.434 63 HD23 LEU 8 3HD2 LEU 8 0.379 7.080 -11.490 64 H GLN 9 H GLN 9 1.637 9.750 -7.142 65 HA GLN 9 HA GLN 9 0.944 12.442 -7.920 66 HB2 GLN 9 1HB GLN 9 2.426 11.325 -5.510 67 HB3 GLN 9 2HB GLN 9 2.039 13.029 -5.700 68 HG2 GLN 9 1HG GLN 9 -0.340 12.530 -5.723 69 HG3 GLN 9 2HG GLN 9 0.014 10.782 -5.622 70 HE21 GLN 9 1HE2 GLN 9 -0.773 11.561 -2.201 71 HE22 GLN 9 2HE2 GLN 9 -1.527 11.213 -3.721 72 H ASP 10 H ASP 10 3.988 10.646 -7.644 73 HA ASP 10 HA ASP 10 5.742 12.806 -8.244 74 HB2 ASP 10 1HB ASP 10 5.925 9.823 -8.794 75 HB3 ASP 10 2HB ASP 10 7.225 10.941 -9.185 76 H LEU 11 H LEU 11 4.014 10.518 -10.370 77 HA LEU 11 HA LEU 11 4.932 11.679 -12.824 78 HB2 LEU 11 1HB LEU 11 2.433 10.100 -12.134 79 HB3 LEU 11 2HB LEU 11 2.866 10.572 -13.780 80 HG LEU 11 HG LEU 11 4.572 8.803 -11.992 81 HD11 LEU 11 1HD1 LEU 11 3.777 6.971 -13.419 82 HD12 LEU 11 2HD1 LEU 11 2.441 7.741 -12.529 83 HD13 LEU 11 3HD1 LEU 11 2.683 8.098 -14.256 84 HD21 LEU 11 1HD2 LEU 11 5.762 8.342 -14.109 85 HD22 LEU 11 2HD2 LEU 11 4.698 9.488 -14.958 86 HD23 LEU 11 3HD2 LEU 11 5.821 10.075 -13.707 87 H THR 12 H THR 12 2.177 12.356 -10.698 88 HA THR 12 HA THR 12 0.852 14.225 -12.380 89 HB THR 12 HB THR 12 1.005 14.165 -9.335 90 HG1 THR 12 HG1 THR 12 0.157 12.253 -10.396 91 HG21 THR 12 1HG2 THR 12 -1.109 15.426 -9.440 92 HG22 THR 12 2HG2 THR 12 0.213 16.335 -10.211 93 HG23 THR 12 3HG2 THR 12 -0.989 15.488 -11.213 94 H ASN 13 H ASN 13 3.536 14.613 -10.093 95 HA ASN 13 HA ASN 13 3.733 17.458 -10.320 96 HB2 ASN 13 1HB ASN 13 5.750 15.310 -9.623 97 HB3 ASN 13 2HB ASN 13 6.155 17.022 -9.630 98 HD21 ASN 13 1HD2 ASN 13 5.115 15.892 -6.218 99 HD22 ASN 13 2HD2 ASN 13 6.259 15.309 -7.381 100 H ASN 14 H ASN 14 5.073 14.809 -12.247 101 HA ASN 14 HA ASN 14 6.631 16.537 -13.961 102 HB2 ASN 14 1HB ASN 14 5.603 13.703 -14.252 103 HB3 ASN 14 2HB ASN 14 6.539 14.503 -15.508 104 HD21 ASN 14 1HD2 ASN 14 8.745 12.515 -13.229 105 HD22 ASN 14 2HD2 ASN 14 7.298 12.159 -14.110 106 H ILE 15 H ILE 15 3.305 15.391 -13.974 107 HA ILE 15 HA ILE 15 2.704 16.410 -16.614 108 HB ILE 15 HB ILE 15 0.924 15.682 -14.253 109 HG12 ILE 15 1HG1 ILE 15 1.348 14.235 -16.872 110 HG13 ILE 15 2HG1 ILE 15 2.257 13.878 -15.412 111 HG21 ILE 15 1HG2 ILE 15 -0.946 15.788 -15.851 112 HG22 ILE 15 2HG2 ILE 15 -0.179 17.381 -15.659 113 HG23 ILE 15 3HG2 ILE 15 0.157 16.401 -17.106 114 HD11 ILE 15 1HD1 ILE 15 0.400 12.333 -15.690 115 HD12 ILE 15 2HD1 ILE 15 0.171 13.330 -14.233 116 HD13 ILE 15 3HD1 ILE 15 -0.749 13.690 -15.713 117 H THR 16 H THR 16 2.114 18.367 -17.280 118 HA THR 16 HA THR 16 2.553 20.593 -15.471 119 HB THR 16 HB THR 16 2.105 22.014 -17.419 120 HG1 THR 16 HG1 THR 16 1.678 19.958 -19.197 121 HG21 THR 16 1HG2 THR 16 3.799 21.115 -18.966 122 HG22 THR 16 2HG2 THR 16 4.313 20.916 -17.274 123 HG23 THR 16 3HG2 THR 16 3.677 19.524 -18.180 124 H LEU 17 H LEU 17 1.028 22.425 -15.299 125 HA LEU 17 HA LEU 17 -1.363 21.528 -14.039 126 HB2 LEU 17 1HB LEU 17 -0.494 24.274 -14.998 127 HB3 LEU 17 2HB LEU 17 -1.964 23.991 -14.061 128 HG LEU 17 HG LEU 17 0.849 23.361 -13.100 129 HD11 LEU 17 1HD1 LEU 17 0.555 25.336 -11.672 130 HD12 LEU 17 2HD1 LEU 17 0.504 25.760 -13.398 131 HD13 LEU 17 3HD1 LEU 17 -1.004 25.672 -12.458 132 HD21 LEU 17 1HD2 LEU 17 -0.281 23.091 -10.919 133 HD22 LEU 17 2HD2 LEU 17 -1.853 23.397 -11.695 134 HD23 LEU 17 3HD2 LEU 17 -0.920 21.941 -12.117 135 H GLU 18 H GLU 18 -0.729 22.845 -17.268 136 HA GLU 18 HA GLU 18 -3.479 23.061 -18.053 137 HB2 GLU 18 1HB GLU 18 -1.719 24.225 -19.285 138 HB3 GLU 18 2HB GLU 18 -0.940 22.702 -19.694 139 HG2 GLU 18 1HG GLU 18 -2.122 23.515 -21.608 140 HG3 GLU 18 2HG GLU 18 -2.927 22.061 -21.021 141 H ASP 19 H ASP 19 -1.035 20.501 -18.548 142 HA ASP 19 HA ASP 19 -2.768 18.744 -19.986 143 HB2 ASP 19 1HB ASP 19 -0.264 18.251 -18.336 144 HB3 ASP 19 2HB ASP 19 -1.098 16.965 -19.200 145 H LEU 20 H LEU 20 -2.089 19.143 -16.528 146 HA LEU 20 HA LEU 20 -3.514 16.847 -15.625 147 HB2 LEU 20 1HB LEU 20 -1.959 18.143 -14.215 148 HB3 LEU 20 2HB LEU 20 -3.065 19.521 -14.248 149 HG LEU 20 HG LEU 20 -4.756 18.172 -13.027 150 HD11 LEU 20 1HD1 LEU 20 -4.091 16.016 -12.062 151 HD12 LEU 20 2HD1 LEU 20 -4.090 15.969 -13.841 152 HD13 LEU 20 3HD1 LEU 20 -2.553 16.092 -12.951 153 HD21 LEU 20 1HD2 LEU 20 -3.542 18.158 -10.874 154 HD22 LEU 20 2HD2 LEU 20 -1.993 18.263 -11.746 155 HD23 LEU 20 3HD2 LEU 20 -3.150 19.614 -11.819 156 H GLU 21 H GLU 21 -4.546 20.222 -16.143 157 HA GLU 21 HA GLU 21 -7.227 19.856 -15.230 158 HB2 GLU 21 1HB GLU 21 -5.977 21.842 -17.162 159 HB3 GLU 21 2HB GLU 21 -7.671 21.909 -16.696 160 HG2 GLU 21 1HG GLU 21 -5.342 22.069 -14.771 161 HG3 GLU 21 2HG GLU 21 -6.220 23.451 -15.423 162 H GLN 22 H GLN 22 -5.680 19.371 -18.374 163 HA GLN 22 HA GLN 22 -8.107 18.875 -19.829 164 HB2 GLN 22 1HB GLN 22 -5.224 18.044 -20.312 165 HB3 GLN 22 2HB GLN 22 -6.525 17.671 -21.432 166 HG2 GLN 22 1HG GLN 22 -6.972 20.047 -21.756 167 HG3 GLN 22 2HG GLN 22 -5.692 20.451 -20.577 168 HE21 GLN 22 1HE2 GLN 22 -3.851 20.924 -23.587 169 HE22 GLN 22 2HE2 GLN 22 -4.873 21.724 -22.440 170 H LEU 23 H LEU 23 -5.842 16.766 -18.080 171 HA LEU 23 HA LEU 23 -7.124 14.306 -18.773 172 HB2 LEU 23 1HB LEU 23 -5.409 15.121 -16.406 173 HB3 LEU 23 2HB LEU 23 -5.981 13.470 -16.658 174 HG LEU 23 HG LEU 23 -4.216 14.996 -18.604 175 HD11 LEU 23 1HD1 LEU 23 -2.420 13.547 -17.765 176 HD12 LEU 23 2HD1 LEU 23 -3.075 14.592 -16.483 177 HD13 LEU 23 3HD1 LEU 23 -3.532 12.873 -16.550 178 HD21 LEU 23 1HD2 LEU 23 -3.923 12.760 -19.615 179 HD22 LEU 23 2HD2 LEU 23 -5.056 12.074 -18.426 180 HD23 LEU 23 3HD2 LEU 23 -5.634 13.250 -19.630 181 H LYS 24 H LYS 24 -7.547 16.549 -16.039 182 HA LYS 24 HA LYS 24 -9.564 15.007 -14.710 183 HB2 LYS 24 1HB LYS 24 -8.911 17.975 -14.692 184 HB3 LYS 24 2HB LYS 24 -10.177 17.274 -13.694 185 HG2 LYS 24 1HG LYS 24 -8.396 15.733 -12.724 186 HG3 LYS 24 2HG LYS 24 -7.205 16.740 -13.558 187 HD2 LYS 24 1HD LYS 24 -9.267 17.791 -11.588 188 HD3 LYS 24 2HD LYS 24 -7.589 17.406 -11.176 189 HE2 LYS 24 1HE LYS 24 -6.800 19.073 -12.821 190 HE3 LYS 24 2HE LYS 24 -8.470 19.453 -13.246 191 HZ1 LYS 24 1HZ LYS 24 -7.581 21.018 -11.681 192 HZ2 LYS 24 2HZ LYS 24 -8.819 20.179 -10.986 193 HZ3 LYS 24 3HZ LYS 24 -7.259 19.825 -10.589 194 H SER 25 H SER 25 -9.711 17.531 -17.206 195 HA SER 25 HA SER 25 -12.564 17.722 -17.276 196 HB2 SER 25 1HB SER 25 -10.478 18.241 -19.419 197 HB3 SER 25 2HB SER 25 -12.175 18.670 -19.564 198 HG SER 25 HG SER 25 -10.259 19.609 -17.750 199 H ALA 26 H ALA 26 -10.249 15.603 -18.918 200 HA ALA 26 HA ALA 26 -12.077 14.437 -20.758 201 HB1 ALA 26 1HB ALA 26 -10.443 12.585 -20.889 202 HB2 ALA 26 2HB ALA 26 -9.645 14.174 -20.957 203 HB3 ALA 26 3HB ALA 26 -9.613 13.227 -19.452 204 H CYS 27 H CYS 27 -11.175 13.517 -17.441 205 HA CYS 27 HA CYS 27 -13.012 11.237 -17.483 206 HB2 CYS 27 1HB CYS 27 -12.257 10.803 -15.244 207 HB3 CYS 27 2HB CYS 27 -10.847 11.244 -16.197 208 HG CYS 27 HG CYS 27 -10.420 12.207 -13.943 209 H LYS 28 H LYS 28 -13.136 14.597 -16.712 210 HA LYS 28 HA LYS 28 -15.063 14.660 -14.661 211 HB2 LYS 28 1HB LYS 28 -13.830 16.649 -15.487 212 HB3 LYS 28 2HB LYS 28 -14.737 16.593 -16.991 213 HG2 LYS 28 1HG LYS 28 -16.820 17.053 -15.794 214 HG3 LYS 28 2HG LYS 28 -15.956 17.031 -14.249 215 HD2 LYS 28 1HD LYS 28 -14.583 18.947 -14.975 216 HD3 LYS 28 2HD LYS 28 -15.410 18.957 -16.539 217 HE2 LYS 28 1HE LYS 28 -17.560 19.405 -15.395 218 HE3 LYS 28 2HE LYS 28 -16.732 19.402 -13.836 219 HZ1 LYS 28 1HZ LYS 28 -17.046 21.617 -14.665 220 HZ2 LYS 28 2HZ LYS 28 -15.435 21.276 -14.588 221 HZ3 LYS 28 3HZ LYS 28 -16.210 21.279 -16.044 222 H GLU 29 H GLU 29 -15.447 14.082 -18.110 223 HA GLU 29 HA GLU 29 -18.225 14.722 -18.268 224 HB2 GLU 29 1HB GLU 29 -16.477 12.897 -19.962 225 HB3 GLU 29 2HB GLU 29 -18.144 13.286 -20.362 226 HG2 GLU 29 1HG GLU 29 -17.550 15.678 -20.485 227 HG3 GLU 29 2HG GLU 29 -15.878 15.274 -20.105 228 H ASP 30 H ASP 30 -16.547 11.966 -17.011 229 HA ASP 30 HA ASP 30 -18.982 10.276 -17.294 230 HB2 ASP 30 1HB ASP 30 -16.080 9.556 -16.727 231 HB3 ASP 30 2HB ASP 30 -17.400 8.395 -16.695 232 H ILE 31 H ILE 31 -17.743 12.363 -15.127 233 HA ILE 31 HA ILE 31 -18.736 10.760 -12.819 234 HB ILE 31 HB ILE 31 -16.936 11.687 -11.400 235 HG12 ILE 31 1HG1 ILE 31 -15.808 12.863 -13.951 236 HG13 ILE 31 2HG1 ILE 31 -16.626 13.781 -12.697 237 HG21 ILE 31 1HG2 ILE 31 -15.055 10.408 -12.343 238 HG22 ILE 31 2HG2 ILE 31 -16.583 9.509 -12.501 239 HG23 ILE 31 3HG2 ILE 31 -15.888 10.335 -13.915 240 HD11 ILE 31 1HD1 ILE 31 -14.211 13.963 -12.483 241 HD12 ILE 31 2HD1 ILE 31 -14.902 13.125 -11.073 242 HD13 ILE 31 3HD1 ILE 31 -14.072 12.195 -12.344 243 HA PRO 32 HA PRO 32 -20.936 14.395 -11.729 244 HB2 PRO 32 1HB PRO 32 -21.003 14.225 -8.992 245 HB3 PRO 32 2HB PRO 32 -21.931 13.130 -10.024 246 HG2 PRO 32 1HG PRO 32 -19.216 12.679 -8.714 247 HG3 PRO 32 2HG PRO 32 -20.619 11.606 -8.719 248 HD2 PRO 32 1HD PRO 32 -18.572 11.260 -10.483 249 HD3 PRO 32 2HD PRO 32 -20.287 10.927 -10.953 250 H SER 33 H SER 33 -20.690 16.475 -10.592 251 HA SER 33 HA SER 33 -18.083 17.544 -10.991 252 HB2 SER 33 1HB SER 33 -18.983 19.606 -10.114 253 HB3 SER 33 2HB SER 33 -20.204 18.840 -11.119 254 HG SER 33 HG SER 33 -20.124 19.276 -8.418 255 H GLU 34 H GLU 34 -19.644 16.160 -8.184 256 HA GLU 34 HA GLU 34 -17.993 17.269 -6.155 257 HB2 GLU 34 1HB GLU 34 -19.435 14.598 -6.341 258 HB3 GLU 34 2HB GLU 34 -18.603 15.141 -4.891 259 HG2 GLU 34 1HG GLU 34 -20.082 17.072 -4.722 260 HG3 GLU 34 2HG GLU 34 -20.876 16.622 -6.229 261 H LYS 35 H LYS 35 -17.615 14.302 -8.101 262 HA LYS 35 HA LYS 35 -15.169 13.522 -6.775 263 HB2 LYS 35 1HB LYS 35 -16.475 12.663 -9.381 264 HB3 LYS 35 2HB LYS 35 -14.962 11.976 -8.805 265 HG2 LYS 35 1HG LYS 35 -16.140 11.262 -6.712 266 HG3 LYS 35 2HG LYS 35 -17.654 11.840 -7.420 267 HD2 LYS 35 1HD LYS 35 -17.369 10.285 -9.319 268 HD3 LYS 35 2HD LYS 35 -15.844 9.715 -8.626 269 HE2 LYS 35 1HE LYS 35 -17.030 8.895 -6.636 270 HE3 LYS 35 2HE LYS 35 -18.557 9.517 -7.267 271 HZ1 LYS 35 1HZ LYS 35 -18.313 7.182 -7.690 272 HZ2 LYS 35 2HZ LYS 35 -18.340 8.007 -9.119 273 HZ3 LYS 35 3HZ LYS 35 -16.914 7.424 -8.528 274 H SER 36 H SER 36 -15.947 15.429 -9.636 275 HA SER 36 HA SER 36 -13.287 15.533 -10.698 276 HB2 SER 36 1HB SER 36 -14.093 17.299 -12.085 277 HB3 SER 36 2HB SER 36 -15.412 16.152 -11.904 278 HG SER 36 HG SER 36 -15.819 17.650 -9.958 279 H GLU 37 H GLU 37 -14.931 17.290 -8.146 280 HA GLU 37 HA GLU 37 -12.787 19.246 -7.842 281 HB2 GLU 37 1HB GLU 37 -15.125 18.443 -6.068 282 HB3 GLU 37 2HB GLU 37 -13.967 19.692 -5.630 283 HG2 GLU 37 1HG GLU 37 -14.601 21.014 -7.576 284 HG3 GLU 37 2HG GLU 37 -15.696 19.741 -8.113 285 H GLU 38 H GLU 38 -13.634 16.102 -6.487 286 HA GLU 38 HA GLU 38 -11.714 16.168 -4.346 287 HB2 GLU 38 1HB GLU 38 -13.122 13.890 -5.782 288 HB3 GLU 38 2HB GLU 38 -12.018 13.627 -4.440 289 HG2 GLU 38 1HG GLU 38 -14.539 15.298 -4.316 290 HG3 GLU 38 2HG GLU 38 -14.395 13.626 -3.780 291 H ILE 39 H ILE 39 -11.576 15.209 -7.737 292 HA ILE 39 HA ILE 39 -8.953 13.992 -7.531 293 HB ILE 39 HB ILE 39 -10.534 15.004 -9.932 294 HG12 ILE 39 1HG1 ILE 39 -10.029 12.173 -8.994 295 HG13 ILE 39 2HG1 ILE 39 -11.477 13.088 -8.607 296 HG21 ILE 39 1HG2 ILE 39 -8.931 13.718 -11.287 297 HG22 ILE 39 2HG2 ILE 39 -8.114 15.024 -10.398 298 HG23 ILE 39 3HG2 ILE 39 -7.988 13.345 -9.825 299 HD11 ILE 39 1HD1 ILE 39 -11.856 11.604 -10.496 300 HD12 ILE 39 2HD1 ILE 39 -11.994 13.307 -10.999 301 HD13 ILE 39 3HD1 ILE 39 -10.528 12.378 -11.391 302 H THR 40 H THR 40 -7.323 15.199 -6.805 303 HA THR 40 HA THR 40 -6.791 17.734 -8.300 304 HB THR 40 HB THR 40 -5.500 18.507 -6.336 305 HG1 THR 40 HG1 THR 40 -6.559 16.341 -4.851 306 HG21 THR 40 1HG2 THR 40 -7.394 18.871 -4.804 307 HG22 THR 40 2HG2 THR 40 -7.897 19.083 -6.498 308 HG23 THR 40 3HG2 THR 40 -8.312 17.589 -5.627 309 H THR 41 H THR 41 -5.666 14.598 -7.372 310 HA THR 41 HA THR 41 -3.175 15.131 -8.931 311 HB THR 41 HB THR 41 -1.924 13.611 -7.487 312 HG1 THR 41 HG1 THR 41 -3.916 13.429 -5.559 313 HG21 THR 41 1HG2 THR 41 -1.929 14.911 -5.394 314 HG22 THR 41 2HG2 THR 41 -2.032 15.984 -6.811 315 HG23 THR 41 3HG2 THR 41 -3.486 15.641 -5.846 316 H GLY 42 H GLY 42 -2.147 13.013 -9.669 317 HA2 GLY 42 1HA GLY 42 -4.001 11.477 -11.222 318 HA3 GLY 42 2HA GLY 42 -2.314 11.085 -10.950 319 H SER 43 H SER 43 -2.547 11.039 -8.026 320 HA SER 43 HA SER 43 -3.321 8.287 -7.703 321 HB2 SER 43 1HB SER 43 -2.719 8.576 -5.400 322 HB3 SER 43 2HB SER 43 -1.559 9.471 -6.370 323 HG SER 43 HG SER 43 -2.991 11.303 -6.017 324 H ALA 44 H ALA 44 -4.873 11.385 -6.958 325 HA ALA 44 HA ALA 44 -7.172 10.232 -5.672 326 HB1 ALA 44 1HB ALA 44 -8.227 12.428 -6.098 327 HB2 ALA 44 2HB ALA 44 -6.591 12.603 -5.417 328 HB3 ALA 44 3HB ALA 44 -6.865 12.869 -7.155 329 H TRP 45 H TRP 45 -6.477 11.183 -9.032 330 HA TRP 45 HA TRP 45 -9.028 10.604 -10.113 331 HB2 TRP 45 1HB TRP 45 -7.238 11.790 -11.349 332 HB3 TRP 45 2HB TRP 45 -6.290 10.312 -11.414 333 HD1 TRP 45 HD1 TRP 45 -9.946 9.658 -11.970 334 HE1 TRP 45 HE1 TRP 45 -10.409 9.230 -14.477 335 HE3 TRP 45 HE3 TRP 45 -5.428 11.162 -13.872 336 HZ2 TRP 45 HZ2 TRP 45 -9.024 9.509 -16.922 337 HZ3 TRP 45 HZ3 TRP 45 -5.060 11.056 -16.305 338 HH2 TRP 45 HH2 TRP 45 -6.827 10.246 -17.812 339 H PHE 46 H PHE 46 -6.171 8.506 -9.685 340 HA PHE 46 HA PHE 46 -7.437 6.256 -11.002 341 HB2 PHE 46 1HB PHE 46 -4.915 6.567 -9.344 342 HB3 PHE 46 2HB PHE 46 -5.443 5.004 -9.947 343 HD1 PHE 46 HD1 PHE 46 -5.766 8.250 -11.721 344 HD2 PHE 46 HD2 PHE 46 -3.706 4.518 -11.448 345 HE1 PHE 46 HE1 PHE 46 -4.654 8.708 -13.881 346 HE2 PHE 46 HE2 PHE 46 -2.591 4.973 -13.607 347 HZ PHE 46 HZ PHE 46 -3.067 7.069 -14.824 348 H SER 47 H SER 47 -7.189 7.414 -7.697 349 HA SER 47 HA SER 47 -8.094 5.107 -6.329 350 HB2 SER 47 1HB SER 47 -8.595 8.054 -5.810 351 HB3 SER 47 2HB SER 47 -9.050 6.778 -4.691 352 HG SER 47 HG SER 47 -6.496 7.488 -5.610 353 H PHE 48 H PHE 48 -9.863 7.573 -8.158 354 HA PHE 48 HA PHE 48 -12.462 6.407 -7.524 355 HB2 PHE 48 1HB PHE 48 -11.524 8.513 -9.497 356 HB3 PHE 48 2HB PHE 48 -13.185 7.945 -9.466 357 HD1 PHE 48 HD1 PHE 48 -11.021 10.401 -8.293 358 HD2 PHE 48 HD2 PHE 48 -14.260 7.930 -7.006 359 HE1 PHE 48 HE1 PHE 48 -11.538 12.018 -6.496 360 HE2 PHE 48 HE2 PHE 48 -14.781 9.546 -5.209 361 HZ PHE 48 HZ PHE 48 -13.419 11.590 -4.954 362 H LEU 49 H LEU 49 -10.114 6.230 -10.168 363 HA LEU 49 HA LEU 49 -11.762 4.910 -12.063 364 HB2 LEU 49 1HB LEU 49 -8.769 4.879 -11.584 365 HB3 LEU 49 2HB LEU 49 -9.520 4.017 -12.930 366 HG LEU 49 HG LEU 49 -9.703 7.016 -12.477 367 HD11 LEU 49 1HD1 LEU 49 -8.129 7.162 -14.355 368 HD12 LEU 49 2HD1 LEU 49 -7.418 6.305 -12.967 369 HD13 LEU 49 3HD1 LEU 49 -7.994 5.388 -14.379 370 HD21 LEU 49 1HD2 LEU 49 -10.597 7.006 -14.780 371 HD22 LEU 49 2HD2 LEU 49 -10.499 5.230 -14.812 372 HD23 LEU 49 3HD2 LEU 49 -11.620 6.038 -13.692 373 H GLU 50 H GLU 50 -9.640 3.611 -9.510 374 HA GLU 50 HA GLU 50 -10.085 0.856 -10.203 375 HB2 GLU 50 1HB GLU 50 -8.967 0.333 -8.144 376 HB3 GLU 50 2HB GLU 50 -8.160 1.737 -8.828 377 HG2 GLU 50 1HG GLU 50 -9.356 3.208 -7.282 378 HG3 GLU 50 2HG GLU 50 -10.228 1.826 -6.621 379 H SER 51 H SER 51 -11.841 3.186 -8.278 380 HA SER 51 HA SER 51 -13.511 1.213 -6.950 381 HB2 SER 51 1HB SER 51 -14.742 3.078 -6.118 382 HB3 SER 51 2HB SER 51 -13.048 3.544 -6.106 383 HG SER 51 HG SER 51 -13.861 4.190 -8.442 384 H HIS 52 H HIS 52 -13.493 2.780 -10.046 385 HA HIS 52 HA HIS 52 -16.212 1.696 -10.631 386 HB2 HIS 52 1HB HIS 52 -14.383 3.553 -12.192 387 HB3 HIS 52 2HB HIS 52 -15.881 2.893 -12.834 388 HD1 HIS 52 HD1 HIS 52 -18.093 3.474 -11.252 389 HD2 HIS 52 HD2 HIS 52 -14.750 5.998 -10.778 390 HE1 HIS 52 HE1 HIS 52 -18.945 5.547 -10.278 391 H ASN 53 H ASN 53 -13.471 0.264 -10.291 392 HA ASN 53 HA ASN 53 -12.535 -1.641 -11.182 393 HB2 ASN 53 1HB ASN 53 -15.202 -1.786 -12.629 394 HB3 ASN 53 2HB ASN 53 -14.024 -3.089 -12.558 395 HD21 ASN 53 1HD2 ASN 53 -16.745 -3.093 -9.824 396 HD22 ASN 53 2HD2 ASN 53 -16.849 -2.573 -11.473 397 H LYS 54 H LYS 54 -11.790 0.766 -12.375 398 HA LYS 54 HA LYS 54 -11.590 0.082 -15.260 399 HB2 LYS 54 1HB LYS 54 -10.737 2.599 -13.773 400 HB3 LYS 54 2HB LYS 54 -10.657 2.360 -15.513 401 HG2 LYS 54 1HG LYS 54 -13.193 2.409 -13.849 402 HG3 LYS 54 2HG LYS 54 -12.588 3.717 -14.876 403 HD2 LYS 54 1HD LYS 54 -12.756 2.214 -16.855 404 HD3 LYS 54 2HD LYS 54 -13.420 0.946 -15.814 405 HE2 LYS 54 1HE LYS 54 -15.311 2.438 -15.219 406 HE3 LYS 54 2HE LYS 54 -14.656 3.684 -16.285 407 HZ1 LYS 54 1HZ LYS 54 -16.368 2.414 -17.358 408 HZ2 LYS 54 2HZ LYS 54 -14.928 2.169 -18.126 409 HZ3 LYS 54 3HZ LYS 54 -15.541 1.005 -17.130 410 H LEU 55 H LEU 55 -9.733 0.241 -12.309 411 HA LEU 55 HA LEU 55 -7.575 -1.229 -13.625 412 HB2 LEU 55 1HB LEU 55 -5.803 0.354 -12.905 413 HB3 LEU 55 2HB LEU 55 -6.858 1.022 -14.154 414 HG LEU 55 HG LEU 55 -8.117 2.063 -12.050 415 HD11 LEU 55 1HD1 LEU 55 -6.518 2.665 -10.287 416 HD12 LEU 55 2HD1 LEU 55 -6.746 0.903 -10.395 417 HD13 LEU 55 3HD1 LEU 55 -5.279 1.654 -11.066 418 HD21 LEU 55 1HD2 LEU 55 -6.710 4.072 -12.357 419 HD22 LEU 55 2HD2 LEU 55 -5.472 3.082 -13.166 420 HD23 LEU 55 3HD2 LEU 55 -7.070 3.297 -13.918 421 H ASP 56 H ASP 56 -5.939 -1.985 -12.099 422 HA ASP 56 HA ASP 56 -7.212 -2.531 -9.484 423 HB2 ASP 56 1HB ASP 56 -4.790 -3.748 -10.869 424 HB3 ASP 56 2HB ASP 56 -5.337 -4.210 -9.264 425 H LYS 57 H LYS 57 -5.744 -2.668 -7.559 426 HA LYS 57 HA LYS 57 -4.750 -0.022 -7.086 427 HB2 LYS 57 1HB LYS 57 -4.544 -2.598 -5.484 428 HB3 LYS 57 2HB LYS 57 -3.924 -1.059 -4.903 429 HG2 LYS 57 1HG LYS 57 -6.195 -0.093 -5.033 430 HG3 LYS 57 2HG LYS 57 -6.815 -1.649 -5.604 431 HD2 LYS 57 1HD LYS 57 -6.030 -2.719 -3.505 432 HD3 LYS 57 2HD LYS 57 -5.446 -1.150 -2.934 433 HE2 LYS 57 1HE LYS 57 -8.335 -1.704 -3.691 434 HE3 LYS 57 2HE LYS 57 -7.709 -1.817 -2.044 435 HZ1 LYS 57 1HZ LYS 57 -8.709 0.307 -2.462 436 HZ2 LYS 57 2HZ LYS 57 -7.095 0.498 -2.179 437 HZ3 LYS 57 3HZ LYS 57 -7.681 0.605 -3.717 438 H ASP 58 H ASP 58 -3.258 -2.927 -8.253 439 HA ASP 58 HA ASP 58 -0.592 -1.596 -8.021 440 HB2 ASP 58 1HB ASP 58 0.403 -3.834 -8.200 441 HB3 ASP 58 2HB ASP 58 -0.701 -3.755 -6.835 442 H ASN 59 H ASN 59 -2.790 -1.301 -10.079 443 HA ASN 59 HA ASN 59 -1.258 -2.234 -12.463 444 HB2 ASN 59 1HB ASN 59 -3.620 -2.949 -12.343 445 HB3 ASN 59 2HB ASN 59 -4.129 -1.269 -12.245 446 HD21 ASN 59 1HD2 ASN 59 -4.422 -2.454 -15.750 447 HD22 ASN 59 2HD2 ASN 59 -5.042 -2.972 -14.218 448 H LEU 60 H LEU 60 0.200 -0.802 -13.044 449 HA LEU 60 HA LEU 60 -0.623 2.070 -13.080 450 HB2 LEU 60 1HB LEU 60 1.267 1.540 -11.568 451 HB3 LEU 60 2HB LEU 60 2.164 0.864 -12.932 452 HG LEU 60 HG LEU 60 2.154 3.129 -14.000 453 HD11 LEU 60 1HD1 LEU 60 1.530 5.060 -12.618 454 HD12 LEU 60 2HD1 LEU 60 0.139 3.997 -12.929 455 HD13 LEU 60 3HD1 LEU 60 0.950 3.962 -11.345 456 HD21 LEU 60 1HD2 LEU 60 3.834 4.077 -12.455 457 HD22 LEU 60 2HD2 LEU 60 3.287 2.964 -11.177 458 HD23 LEU 60 3HD2 LEU 60 4.059 2.322 -12.647 459 H SER 61 H SER 61 -1.179 0.044 -15.144 460 HA SER 61 HA SER 61 0.561 0.920 -17.369 461 HB2 SER 61 1HB SER 61 -0.612 -0.726 -18.690 462 HB3 SER 61 2HB SER 61 -0.138 -1.459 -17.165 463 HG SER 61 HG SER 61 -2.213 -1.078 -16.401 464 H TYR 62 H TYR 62 -2.415 1.751 -15.877 465 HA TYR 62 HA TYR 62 -3.866 2.729 -18.123 466 HB2 TYR 62 1HB TYR 62 -4.817 2.389 -15.832 467 HB3 TYR 62 2HB TYR 62 -3.894 3.773 -15.262 468 HD1 TYR 62 HD1 TYR 62 -6.888 2.655 -16.926 469 HD2 TYR 62 HD2 TYR 62 -4.363 6.055 -16.237 470 HE1 TYR 62 HE1 TYR 62 -8.733 4.160 -17.589 471 HE2 TYR 62 HE2 TYR 62 -6.208 7.559 -16.900 472 HH TYR 62 HH TYR 62 -9.366 6.266 -17.906 473 H ILE 63 H ILE 63 -1.704 4.458 -15.855 474 HA ILE 63 HA ILE 63 -1.882 6.961 -17.230 475 HB ILE 63 HB ILE 63 -1.047 6.589 -14.848 476 HG12 ILE 63 1HG1 ILE 63 0.641 8.405 -14.991 477 HG13 ILE 63 2HG1 ILE 63 0.628 8.253 -16.741 478 HG21 ILE 63 1HG2 ILE 63 1.354 6.113 -14.585 479 HG22 ILE 63 2HG2 ILE 63 0.510 4.743 -15.343 480 HG23 ILE 63 3HG2 ILE 63 1.495 5.839 -16.338 481 HD11 ILE 63 1HD1 ILE 63 -0.772 10.102 -16.012 482 HD12 ILE 63 2HD1 ILE 63 -1.757 8.839 -16.789 483 HD13 ILE 63 3HD1 ILE 63 -1.745 8.995 -15.016 484 H GLU 64 H GLU 64 0.111 4.111 -17.693 485 HA GLU 64 HA GLU 64 2.043 5.235 -19.455 486 HB2 GLU 64 1HB GLU 64 2.134 2.930 -18.452 487 HB3 GLU 64 2HB GLU 64 0.846 2.436 -19.541 488 HG2 GLU 64 1HG GLU 64 2.245 2.808 -21.470 489 HG3 GLU 64 2HG GLU 64 3.513 3.515 -20.471 490 H HIS 65 H HIS 65 -1.150 3.771 -20.104 491 HA HIS 65 HA HIS 65 -1.038 4.161 -22.955 492 HB2 HIS 65 1HB HIS 65 -3.380 3.808 -21.052 493 HB3 HIS 65 2HB HIS 65 -3.544 3.883 -22.801 494 HD1 HIS 65 HD1 HIS 65 -1.462 2.060 -23.880 495 HD2 HIS 65 HD2 HIS 65 -3.471 1.084 -20.307 496 HE1 HIS 65 HE1 HIS 65 -1.314 -0.370 -23.666 497 H ILE 66 H ILE 66 -2.174 6.162 -20.265 498 HA ILE 66 HA ILE 66 -3.302 8.265 -21.804 499 HB ILE 66 HB ILE 66 -1.890 8.287 -19.108 500 HG12 ILE 66 1HG1 ILE 66 -3.949 6.988 -19.186 501 HG13 ILE 66 2HG1 ILE 66 -4.138 8.433 -18.205 502 HG21 ILE 66 1HG2 ILE 66 -2.881 10.518 -18.789 503 HG22 ILE 66 2HG2 ILE 66 -1.735 10.516 -20.149 504 HG23 ILE 66 3HG2 ILE 66 -3.486 10.493 -20.461 505 HD11 ILE 66 1HD1 ILE 66 -6.105 8.045 -19.581 506 HD12 ILE 66 2HD1 ILE 66 -5.296 9.557 -20.057 507 HD13 ILE 66 3HD1 ILE 66 -5.107 8.094 -21.052 508 H PHE 67 H PHE 67 0.049 7.597 -20.839 509 HA PHE 67 HA PHE 67 1.033 10.094 -21.975 510 HB2 PHE 67 1HB PHE 67 2.415 7.603 -20.917 511 HB3 PHE 67 2HB PHE 67 3.296 8.972 -21.578 512 HD1 PHE 67 HD1 PHE 67 1.002 10.909 -20.383 513 HD2 PHE 67 HD2 PHE 67 3.648 7.949 -18.806 514 HE1 PHE 67 HE1 PHE 67 0.930 12.024 -18.179 515 HE2 PHE 67 HE2 PHE 67 3.577 9.060 -16.598 516 HZ PHE 67 HZ PHE 67 2.219 11.099 -16.285 517 H GLU 68 H GLU 68 0.595 6.785 -23.062 518 HA GLU 68 HA GLU 68 2.054 6.990 -25.509 519 HB2 GLU 68 1HB GLU 68 -0.384 5.373 -24.694 520 HB3 GLU 68 2HB GLU 68 0.331 5.248 -26.295 521 HG2 GLU 68 1HG GLU 68 2.435 4.489 -25.345 522 HG3 GLU 68 2HG GLU 68 1.817 4.726 -23.712 523 H ILE 69 H ILE 69 -1.259 7.916 -24.611 524 HA ILE 69 HA ILE 69 -2.064 8.830 -27.190 525 HB ILE 69 HB ILE 69 -2.902 9.669 -24.388 526 HG12 ILE 69 1HG1 ILE 69 -4.399 8.057 -26.459 527 HG13 ILE 69 2HG1 ILE 69 -3.379 7.332 -25.227 528 HG21 ILE 69 1HG2 ILE 69 -4.810 10.796 -25.460 529 HG22 ILE 69 2HG2 ILE 69 -3.271 11.541 -25.950 530 HG23 ILE 69 3HG2 ILE 69 -4.122 10.445 -27.063 531 HD11 ILE 69 1HD1 ILE 69 -5.716 7.306 -24.557 532 HD12 ILE 69 2HD1 ILE 69 -4.765 8.343 -23.467 533 HD13 ILE 69 3HD1 ILE 69 -5.799 9.076 -24.716 534 H SER 70 H SER 70 -0.479 10.515 -24.472 535 HA SER 70 HA SER 70 -0.259 13.019 -25.901 536 HB2 SER 70 1HB SER 70 1.088 13.741 -24.062 537 HB3 SER 70 2HB SER 70 -0.210 12.758 -23.404 538 HG SER 70 HG SER 70 1.755 11.148 -24.025 539 H ARG 71 H ARG 71 1.470 10.050 -25.984 540 HA ARG 71 HA ARG 71 3.282 9.380 -27.232 541 HB2 ARG 71 1HB ARG 71 2.893 12.054 -28.619 542 HB3 ARG 71 2HB ARG 71 3.919 10.752 -29.200 543 HG2 ARG 71 1HG ARG 71 1.922 9.296 -29.406 544 HG3 ARG 71 2HG ARG 71 0.908 10.667 -28.897 545 HD2 ARG 71 1HD ARG 71 1.692 11.952 -30.800 546 HD3 ARG 71 2HD ARG 71 2.708 10.583 -31.307 547 HE ARG 71 HE ARG 71 0.086 9.628 -31.046 548 HH11 ARG 71 1HH1 ARG 71 1.867 11.927 -33.016 549 HH12 ARG 71 2HH1 ARG 71 0.828 11.729 -34.409 550 HH21 ARG 71 1HH2 ARG 71 -1.256 9.379 -32.860 551 HH22 ARG 71 2HH2 ARG 71 -0.941 10.287 -34.322 552 H ARG 72 H ARG 72 4.050 10.130 -24.843 553 HA ARG 72 HA ARG 72 6.469 11.816 -25.336 554 HB2 ARG 72 1HB ARG 72 4.751 11.670 -22.836 555 HB3 ARG 72 2HB ARG 72 6.313 12.470 -22.916 556 HG2 ARG 72 1HG ARG 72 5.471 14.085 -24.510 557 HG3 ARG 72 2HG ARG 72 3.912 13.228 -24.600 558 HD2 ARG 72 1HD ARG 72 3.532 13.674 -22.245 559 HD3 ARG 72 2HD ARG 72 5.090 14.528 -22.153 560 HE ARG 72 HE ARG 72 3.691 15.754 -24.207 561 HH11 ARG 72 1HH1 ARG 72 3.192 15.178 -20.778 562 HH12 ARG 72 2HH1 ARG 72 2.244 16.628 -20.544 563 HH21 ARG 72 1HH2 ARG 72 2.458 17.635 -23.891 564 HH22 ARG 72 2HH2 ARG 72 1.828 18.020 -22.306 565 HA PRO 73 HA PRO 73 7.922 7.634 -24.342 566 HB2 PRO 73 1HB PRO 73 10.423 9.051 -25.340 567 HB3 PRO 73 2HB PRO 73 9.870 7.407 -25.680 568 HG2 PRO 73 1HG PRO 73 9.489 9.269 -27.540 569 HG3 PRO 73 2HG PRO 73 8.181 8.136 -27.192 570 HD2 PRO 73 1HD PRO 73 8.525 11.010 -26.259 571 HD3 PRO 73 2HD PRO 73 7.030 10.168 -26.831 572 H ASP 74 H ASP 74 9.252 10.828 -23.563 573 HA ASP 74 HA ASP 74 11.140 10.085 -21.594 574 HB2 ASP 74 1HB ASP 74 9.420 12.573 -21.891 575 HB3 ASP 74 2HB ASP 74 10.650 12.413 -20.646 576 H LEU 75 H LEU 75 7.677 10.899 -21.238 577 HA LEU 75 HA LEU 75 7.697 10.362 -18.387 578 HB2 LEU 75 1HB LEU 75 5.445 10.710 -20.394 579 HB3 LEU 75 2HB LEU 75 5.190 10.496 -18.660 580 HG LEU 75 HG LEU 75 6.675 12.812 -19.952 581 HD11 LEU 75 1HD1 LEU 75 4.715 14.119 -19.266 582 HD12 LEU 75 2HD1 LEU 75 4.280 12.838 -20.421 583 HD13 LEU 75 3HD1 LEU 75 3.925 12.633 -18.689 584 HD21 LEU 75 1HD2 LEU 75 6.619 13.759 -17.670 585 HD22 LEU 75 2HD2 LEU 75 5.856 12.267 -17.068 586 HD23 LEU 75 3HD2 LEU 75 7.518 12.224 -17.703 587 H LEU 76 H LEU 76 6.888 8.548 -21.307 588 HA LEU 76 HA LEU 76 5.657 6.309 -20.071 589 HB2 LEU 76 1HB LEU 76 7.307 6.593 -22.598 590 HB3 LEU 76 2HB LEU 76 6.558 5.067 -22.119 591 HG LEU 76 HG LEU 76 5.018 7.637 -22.624 592 HD11 LEU 76 1HD1 LEU 76 4.384 6.592 -24.753 593 HD12 LEU 76 2HD1 LEU 76 6.138 6.872 -24.655 594 HD13 LEU 76 3HD1 LEU 76 5.483 5.235 -24.414 595 HD21 LEU 76 1HD2 LEU 76 3.086 6.097 -22.662 596 HD22 LEU 76 2HD2 LEU 76 4.166 4.731 -22.294 597 HD23 LEU 76 3HD2 LEU 76 3.931 6.026 -21.096 598 H THR 77 H THR 77 9.080 7.033 -20.730 599 HA THR 77 HA THR 77 10.155 4.572 -19.808 600 HB THR 77 HB THR 77 11.368 7.367 -19.699 601 HG1 THR 77 HG1 THR 77 10.945 6.762 -21.810 602 HG21 THR 77 1HG2 THR 77 13.526 6.182 -19.585 603 HG22 THR 77 2HG2 THR 77 12.510 5.790 -18.177 604 HG23 THR 77 3HG2 THR 77 12.671 4.624 -19.510 605 H MET 78 H MET 78 9.343 7.564 -18.062 606 HA MET 78 HA MET 78 10.384 6.730 -15.536 607 HB2 MET 78 1HB MET 78 8.176 8.693 -16.256 608 HB3 MET 78 2HB MET 78 8.797 8.484 -14.625 609 HG2 MET 78 1HG MET 78 10.379 9.419 -17.036 610 HG3 MET 78 2HG MET 78 9.806 10.418 -15.698 611 HE1 MET 78 1HE MET 78 11.974 9.215 -12.699 612 HE2 MET 78 2HE MET 78 10.800 10.417 -13.289 613 HE3 MET 78 3HE MET 78 10.322 8.710 -13.131 614 H VAL 79 H VAL 79 7.212 6.312 -17.062 615 HA VAL 79 HA VAL 79 5.903 5.203 -14.777 616 HB VAL 79 HB VAL 79 5.411 4.851 -17.762 617 HG11 VAL 79 1HG1 VAL 79 3.210 3.971 -17.159 618 HG12 VAL 79 2HG1 VAL 79 4.527 2.922 -16.584 619 HG13 VAL 79 3HG1 VAL 79 3.674 3.988 -15.442 620 HG21 VAL 79 1HG2 VAL 79 3.551 6.423 -17.324 621 HG22 VAL 79 2HG2 VAL 79 4.034 6.515 -15.613 622 HG23 VAL 79 3HG2 VAL 79 5.118 7.141 -16.879 623 H VAL 80 H VAL 80 7.644 3.694 -17.505 624 HA VAL 80 HA VAL 80 7.185 0.999 -16.859 625 HB VAL 80 HB VAL 80 9.615 2.357 -18.092 626 HG11 VAL 80 1HG1 VAL 80 10.298 0.143 -18.880 627 HG12 VAL 80 2HG1 VAL 80 10.322 0.255 -17.105 628 HG13 VAL 80 3HG1 VAL 80 8.993 -0.599 -17.924 629 HG21 VAL 80 1HG2 VAL 80 8.652 1.461 -20.188 630 HG22 VAL 80 2HG2 VAL 80 7.297 0.766 -19.266 631 HG23 VAL 80 3HG2 VAL 80 7.500 2.532 -19.356 632 H ASP 81 H ASP 81 9.844 3.137 -15.771 633 HA ASP 81 HA ASP 81 11.054 1.264 -14.003 634 HB2 ASP 81 1HB ASP 81 10.952 4.301 -13.993 635 HB3 ASP 81 2HB ASP 81 11.877 3.381 -12.814 636 H TYR 82 H TYR 82 8.425 3.609 -13.526 637 HA TYR 82 HA TYR 82 8.192 3.171 -10.696 638 HB2 TYR 82 1HB TYR 82 6.303 4.302 -12.788 639 HB3 TYR 82 2HB TYR 82 5.842 4.156 -11.098 640 HD1 TYR 82 HD1 TYR 82 9.275 4.703 -11.059 641 HD2 TYR 82 HD2 TYR 82 5.577 6.739 -11.825 642 HE1 TYR 82 HE1 TYR 82 10.365 6.867 -10.574 643 HE2 TYR 82 HE2 TYR 82 6.668 8.903 -11.341 644 HH TYR 82 HH TYR 82 10.076 9.064 -10.345 645 H ARG 83 H ARG 83 6.830 1.573 -13.520 646 HA ARG 83 HA ARG 83 4.788 0.101 -12.193 647 HB2 ARG 83 1HB ARG 83 6.402 -0.402 -14.700 648 HB3 ARG 83 2HB ARG 83 5.204 -1.556 -14.136 649 HG2 ARG 83 1HG ARG 83 3.463 0.192 -14.279 650 HG3 ARG 83 2HG ARG 83 4.685 1.328 -14.898 651 HD2 ARG 83 1HD ARG 83 3.407 0.373 -16.701 652 HD3 ARG 83 2HD ARG 83 5.099 -0.169 -16.779 653 HE ARG 83 HE ARG 83 3.657 -2.087 -15.321 654 HH11 ARG 83 1HH1 ARG 83 3.780 -0.784 -18.581 655 HH12 ARG 83 2HH1 ARG 83 3.238 -2.268 -19.330 656 HH21 ARG 83 1HH2 ARG 83 2.953 -4.008 -16.304 657 HH22 ARG 83 2HH2 ARG 83 2.769 -4.094 -18.042 658 H THR 84 H THR 84 8.233 -0.591 -12.743 659 HA THR 84 HA THR 84 8.141 -3.232 -11.594 660 HB THR 84 HB THR 84 10.604 -3.077 -11.543 661 HG1 THR 84 HG1 THR 84 10.026 -0.336 -11.942 662 HG21 THR 84 1HG2 THR 84 10.979 -2.648 -13.940 663 HG22 THR 84 2HG2 THR 84 9.486 -3.584 -13.687 664 HG23 THR 84 3HG2 THR 84 9.396 -1.844 -14.048 665 H ARG 85 H ARG 85 8.641 0.006 -10.295 666 HA ARG 85 HA ARG 85 9.428 -0.793 -7.662 667 HB2 ARG 85 1HB ARG 85 7.994 1.674 -8.688 668 HB3 ARG 85 2HB ARG 85 8.489 1.476 -7.013 669 HG2 ARG 85 1HG ARG 85 10.838 1.305 -7.719 670 HG3 ARG 85 2HG ARG 85 10.335 1.511 -9.415 671 HD2 ARG 85 1HD ARG 85 11.099 3.598 -8.558 672 HD3 ARG 85 2HD ARG 85 9.338 3.680 -8.794 673 HE ARG 85 HE ARG 85 9.030 3.815 -6.499 674 HH11 ARG 85 1HH1 ARG 85 12.408 3.213 -7.254 675 HH12 ARG 85 2HH1 ARG 85 12.964 3.583 -5.637 676 HH21 ARG 85 1HH2 ARG 85 9.764 4.293 -4.406 677 HH22 ARG 85 2HH2 ARG 85 11.469 4.195 -4.025 678 H VAL 86 H VAL 86 6.256 -0.246 -9.177 679 HA VAL 86 HA VAL 86 4.698 -0.707 -6.823 680 HB VAL 86 HB VAL 86 4.062 -1.106 -9.776 681 HG11 VAL 86 1HG1 VAL 86 1.707 -1.156 -9.114 682 HG12 VAL 86 2HG1 VAL 86 2.617 -2.530 -8.443 683 HG13 VAL 86 3HG1 VAL 86 2.189 -1.152 -7.402 684 HG21 VAL 86 1HG2 VAL 86 2.834 1.023 -9.484 685 HG22 VAL 86 2HG2 VAL 86 3.359 1.090 -7.785 686 HG23 VAL 86 3HG2 VAL 86 4.560 1.215 -9.093 687 H LEU 87 H LEU 87 5.940 -2.874 -9.360 688 HA LEU 87 HA LEU 87 4.573 -5.218 -8.489 689 HB2 LEU 87 1HB LEU 87 7.177 -4.827 -9.995 690 HB3 LEU 87 2HB LEU 87 6.454 -6.413 -9.709 691 HG LEU 87 HG LEU 87 5.112 -4.159 -11.243 692 HD11 LEU 87 1HD1 LEU 87 5.649 -5.492 -13.233 693 HD12 LEU 87 2HD1 LEU 87 7.118 -4.955 -12.386 694 HD13 LEU 87 3HD1 LEU 87 6.560 -6.637 -12.220 695 HD21 LEU 87 1HD2 LEU 87 3.559 -5.958 -11.922 696 HD22 LEU 87 2HD2 LEU 87 4.441 -7.109 -10.891 697 HD23 LEU 87 3HD2 LEU 87 3.562 -5.748 -10.154 698 H LYS 88 H LYS 88 7.571 -3.688 -7.451 699 HA LYS 88 HA LYS 88 8.529 -5.879 -5.861 700 HB2 LYS 88 1HB LYS 88 9.024 -2.884 -5.758 701 HB3 LYS 88 2HB LYS 88 9.803 -4.007 -4.652 702 HG2 LYS 88 1HG LYS 88 10.859 -5.170 -6.535 703 HG3 LYS 88 2HG LYS 88 10.038 -4.094 -7.674 704 HD2 LYS 88 1HD LYS 88 11.193 -2.149 -6.681 705 HD3 LYS 88 2HD LYS 88 12.007 -3.216 -5.528 706 HE2 LYS 88 1HE LYS 88 13.093 -4.413 -7.399 707 HE3 LYS 88 2HE LYS 88 12.276 -3.358 -8.555 708 HZ1 LYS 88 1HZ LYS 88 14.505 -2.631 -8.119 709 HZ2 LYS 88 2HZ LYS 88 13.434 -1.494 -7.584 710 HZ3 LYS 88 3HZ LYS 88 14.200 -2.481 -6.505 711 H ILE 89 H ILE 89 5.996 -3.573 -5.413 712 HA ILE 89 HA ILE 89 5.923 -4.055 -2.492 713 HB ILE 89 HB ILE 89 4.214 -2.253 -4.262 714 HG12 ILE 89 1HG1 ILE 89 6.494 -1.476 -4.172 715 HG13 ILE 89 2HG1 ILE 89 5.467 -0.424 -3.210 716 HG21 ILE 89 1HG2 ILE 89 3.422 -1.298 -2.135 717 HG22 ILE 89 2HG2 ILE 89 3.001 -3.023 -2.257 718 HG23 ILE 89 3HG2 ILE 89 4.364 -2.509 -1.235 719 HD11 ILE 89 1HD1 ILE 89 7.583 -0.846 -2.091 720 HD12 ILE 89 2HD1 ILE 89 6.234 -1.534 -1.156 721 HD13 ILE 89 3HD1 ILE 89 7.276 -2.598 -2.131 722 H SER 90 H SER 90 3.950 -4.558 -5.412 723 HA SER 90 HA SER 90 1.739 -5.762 -4.038 724 HB2 SER 90 1HB SER 90 1.493 -4.855 -6.278 725 HB3 SER 90 2HB SER 90 2.689 -5.975 -6.912 726 HG SER 90 HG SER 90 0.333 -6.443 -7.063
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