NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575286 | 2rts | 11530 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 28.663 0.038 -2.071 2 HA2 GLY 1 2HA GLY 1 30.562 1.602 -3.483 3 HA3 GLY 1 3HA GLY 1 29.063 1.510 -4.396 4 HA PRO 2 HA PRO 2 28.973 4.861 -1.026 5 HB2 PRO 2 2HB PRO 2 29.176 7.031 -2.645 6 HB3 PRO 2 3HB PRO 2 30.581 6.231 -1.929 7 HG2 PRO 2 2HG PRO 2 29.449 5.961 -4.686 8 HG3 PRO 2 3HG PRO 2 31.143 6.099 -4.182 9 HD2 PRO 2 2HD PRO 2 30.003 3.730 -4.828 10 HD3 PRO 2 3HD PRO 2 31.283 3.872 -3.606 11 H SER 3 H SER 3 27.283 6.499 -0.793 12 HA SER 3 HA SER 3 24.975 5.933 -2.535 13 HB2 SER 3 2HB SER 3 24.632 5.128 -0.252 14 HB3 SER 3 3HB SER 3 25.009 6.727 0.388 15 HG SER 3 HG SER 3 22.849 6.130 -1.356 16 H THR 4 H THR 4 23.331 7.746 -2.546 17 HA THR 4 HA THR 4 24.372 10.413 -2.142 18 HB THR 4 HB THR 4 23.637 9.547 -4.943 19 HG1 THR 4 HG1 THR 4 25.680 8.737 -4.402 20 HG21 THR 4 3HG2 THR 4 25.091 11.988 -4.821 21 HG22 THR 4 1HG2 THR 4 23.742 12.096 -3.691 22 HG23 THR 4 2HG2 THR 4 23.444 11.720 -5.388 23 H SER 5 H SER 5 22.755 11.630 -1.430 24 HA SER 5 HA SER 5 20.034 10.694 -1.630 25 HB2 SER 5 2HB SER 5 21.517 12.534 0.046 26 HB3 SER 5 3HB SER 5 20.003 13.256 -0.498 27 HG SER 5 HG SER 5 20.378 11.404 1.383 28 H MET 6 H MET 6 18.330 11.699 -2.672 29 HA MET 6 HA MET 6 18.667 14.147 -4.125 30 HB2 MET 6 2HB MET 6 18.527 13.325 -6.347 31 HB3 MET 6 3HB MET 6 19.813 12.414 -5.568 32 HG2 MET 6 2HG MET 6 17.708 10.803 -5.075 33 HG3 MET 6 3HG MET 6 17.217 11.517 -6.610 34 HE1 MET 6 3HE MET 6 19.405 10.373 -9.206 35 HE2 MET 6 1HE MET 6 18.655 11.801 -8.494 36 HE3 MET 6 2HE MET 6 20.393 11.545 -8.332 37 H GLU 7 H GLU 7 16.649 14.050 -5.910 38 HA GLU 7 HA GLU 7 14.299 12.971 -4.546 39 HB2 GLU 7 2HB GLU 7 14.360 15.849 -5.439 40 HB3 GLU 7 3HB GLU 7 13.140 15.041 -4.462 41 HG2 GLU 7 2HG GLU 7 14.730 14.835 -2.629 42 HG3 GLU 7 3HG GLU 7 15.968 15.622 -3.607 43 H ASN 8 H ASN 8 15.218 15.068 -7.284 44 HA ASN 8 HA ASN 8 13.119 13.990 -8.933 45 HB2 ASN 8 2HB ASN 8 13.659 16.299 -9.258 46 HB3 ASN 8 3HB ASN 8 15.367 15.933 -9.479 47 HD21 ASN 8 1HD2 ASN 8 12.179 15.672 -10.899 48 HD22 ASN 8 2HD2 ASN 8 12.714 15.471 -12.530 49 H LEU 9 H LEU 9 13.779 11.743 -8.828 50 HA LEU 9 HA LEU 9 16.205 11.053 -10.302 51 HB2 LEU 9 2HB LEU 9 15.656 8.731 -9.616 52 HB3 LEU 9 3HB LEU 9 15.901 9.844 -8.271 53 HG LEU 9 HG LEU 9 13.102 9.519 -9.107 54 HD11 LEU 9 1HD1 LEU 9 12.915 7.343 -7.900 55 HD12 LEU 9 2HD1 LEU 9 14.673 7.220 -7.961 56 HD13 LEU 9 3HD1 LEU 9 13.738 7.247 -9.457 57 HD21 LEU 9 3HD2 LEU 9 14.528 10.433 -6.895 58 HD22 LEU 9 1HD2 LEU 9 13.768 8.933 -6.362 59 HD23 LEU 9 2HD2 LEU 9 12.780 10.233 -7.026 60 H VAL 10 H VAL 10 13.331 11.990 -11.247 61 HA VAL 10 HA VAL 10 12.149 10.035 -12.796 62 HB VAL 10 HB VAL 10 11.298 12.376 -12.439 63 HG11 VAL 10 1HG1 VAL 10 13.194 13.007 -14.699 64 HG12 VAL 10 2HG1 VAL 10 11.982 14.102 -14.028 65 HG13 VAL 10 3HG1 VAL 10 13.342 13.573 -13.035 66 HG21 VAL 10 3HG2 VAL 10 9.876 12.152 -14.187 67 HG22 VAL 10 1HG2 VAL 10 11.177 11.948 -15.360 68 HG23 VAL 10 2HG2 VAL 10 10.685 10.593 -14.345 69 H SER 11 H SER 11 15.098 11.804 -13.361 70 HA SER 11 HA SER 11 15.345 11.204 -16.130 71 HB2 SER 11 2HB SER 11 16.583 13.061 -15.178 72 HB3 SER 11 3HB SER 11 17.426 11.976 -14.072 73 HG SER 11 HG SER 11 17.664 12.140 -16.888 74 H LEU 12 H LEU 12 16.596 9.697 -13.181 75 HA LEU 12 HA LEU 12 18.142 7.717 -14.480 76 HB2 LEU 12 2HB LEU 12 17.803 8.553 -11.899 77 HB3 LEU 12 3HB LEU 12 17.017 6.976 -11.881 78 HG LEU 12 HG LEU 12 19.296 6.738 -11.153 79 HD11 LEU 12 1HD1 LEU 12 18.940 5.708 -13.965 80 HD12 LEU 12 2HD1 LEU 12 18.383 4.924 -12.487 81 HD13 LEU 12 3HD1 LEU 12 20.111 5.110 -12.789 82 HD21 LEU 12 3HD2 LEU 12 20.938 8.004 -11.940 83 HD22 LEU 12 1HD2 LEU 12 19.806 8.743 -13.071 84 HD23 LEU 12 2HD2 LEU 12 20.729 7.320 -13.554 85 H GLN 13 H GLN 13 14.768 8.020 -13.848 86 HA GLN 13 HA GLN 13 13.950 5.362 -13.775 87 HB2 GLN 13 2HB GLN 13 12.535 7.736 -14.999 88 HB3 GLN 13 3HB GLN 13 11.778 6.193 -14.627 89 HG2 GLN 13 2HG GLN 13 12.434 6.559 -12.235 90 HG3 GLN 13 3HG GLN 13 12.919 8.192 -12.695 91 HE21 GLN 13 1HE2 GLN 13 11.242 8.558 -10.956 92 HE22 GLN 13 2HE2 GLN 13 9.611 8.762 -11.487 93 H ASN 14 H ASN 14 15.152 7.252 -16.404 94 HA ASN 14 HA ASN 14 14.459 5.093 -18.283 95 HB2 ASN 14 2HB ASN 14 15.079 7.995 -18.882 96 HB3 ASN 14 3HB ASN 14 14.697 6.761 -20.080 97 HD21 ASN 14 1HD2 ASN 14 12.580 5.828 -20.045 98 HD22 ASN 14 2HD2 ASN 14 11.245 6.733 -19.427 99 H LEU 15 H LEU 15 16.905 7.678 -18.285 100 HA LEU 15 HA LEU 15 19.048 5.718 -18.197 101 HB2 LEU 15 2HB LEU 15 18.101 6.488 -20.648 102 HB3 LEU 15 3HB LEU 15 19.422 7.624 -20.385 103 HG LEU 15 HG LEU 15 20.803 5.478 -19.856 104 HD11 LEU 15 1HD1 LEU 15 19.745 3.545 -20.076 105 HD12 LEU 15 2HD1 LEU 15 19.512 3.895 -21.788 106 HD13 LEU 15 3HD1 LEU 15 18.281 4.366 -20.617 107 HD21 LEU 15 3HD2 LEU 15 20.017 6.687 -22.444 108 HD22 LEU 15 1HD2 LEU 15 20.919 5.172 -22.500 109 HD23 LEU 15 2HD2 LEU 15 21.602 6.574 -21.676 110 H LEU 16 H LEU 16 21.233 7.012 -18.530 111 HA LEU 16 HA LEU 16 21.010 9.528 -17.014 112 HB2 LEU 16 2HB LEU 16 23.232 8.913 -16.018 113 HB3 LEU 16 3HB LEU 16 21.861 7.936 -15.496 114 HG LEU 16 HG LEU 16 23.354 6.821 -17.764 115 HD11 LEU 16 1HD1 LEU 16 25.252 7.727 -16.625 116 HD12 LEU 16 2HD1 LEU 16 25.182 5.999 -16.287 117 HD13 LEU 16 3HD1 LEU 16 24.654 7.157 -15.067 118 HD21 LEU 16 3HD2 LEU 16 23.040 5.297 -15.289 119 HD22 LEU 16 1HD2 LEU 16 22.559 4.899 -16.938 120 HD23 LEU 16 2HD2 LEU 16 21.527 5.926 -15.942 121 H VAL 17 H VAL 17 20.955 9.925 -19.583 122 HA VAL 17 HA VAL 17 23.231 9.874 -21.134 123 HB VAL 17 HB VAL 17 22.308 11.983 -22.217 124 HG11 VAL 17 1HG1 VAL 17 21.759 9.536 -22.768 125 HG12 VAL 17 2HG1 VAL 17 20.222 9.845 -21.960 126 HG13 VAL 17 3HG1 VAL 17 20.678 10.787 -23.381 127 HG21 VAL 17 3HG2 VAL 17 20.150 12.771 -21.554 128 HG22 VAL 17 1HG2 VAL 17 20.004 11.504 -20.336 129 HG23 VAL 17 2HG2 VAL 17 21.192 12.792 -20.132 130 H TYR 18 H TYR 18 24.546 11.819 -21.818 131 HA TYR 18 HA TYR 18 25.863 12.877 -19.483 132 HB2 TYR 18 2HB TYR 18 27.495 13.774 -21.056 133 HB3 TYR 18 3HB TYR 18 27.148 12.091 -21.437 134 HD1 TYR 18 HD2 TYR 18 25.942 11.497 -23.465 135 HD2 TYR 18 HD1 TYR 18 26.810 15.560 -22.550 136 HE1 TYR 18 HE2 TYR 18 25.408 12.127 -25.782 137 HE2 TYR 18 HE1 TYR 18 26.275 16.201 -24.864 138 HH TYR 18 HH TYR 18 25.145 15.446 -26.769 139 H VAL 19 H VAL 19 23.853 14.113 -22.098 140 HA VAL 19 HA VAL 19 24.176 16.847 -21.700 141 HB VAL 19 HB VAL 19 22.930 15.790 -23.594 142 HG11 VAL 19 1HG1 VAL 19 21.553 14.381 -21.878 143 HG12 VAL 19 2HG1 VAL 19 20.484 15.784 -21.883 144 HG13 VAL 19 3HG1 VAL 19 20.810 14.917 -23.384 145 HG21 VAL 19 3HG2 VAL 19 21.617 18.018 -22.047 146 HG22 VAL 19 1HG2 VAL 19 22.797 18.155 -23.351 147 HG23 VAL 19 2HG2 VAL 19 21.167 17.576 -23.694 148 H ASN 20 H ASN 20 22.507 14.503 -19.790 149 HA ASN 20 HA ASN 20 21.423 14.628 -17.794 150 HB2 ASN 20 2HB ASN 20 23.449 16.281 -17.453 151 HB3 ASN 20 3HB ASN 20 22.180 17.504 -17.464 152 HD21 ASN 20 1HD2 ASN 20 21.683 18.075 -15.485 153 HD22 ASN 20 2HD2 ASN 20 21.533 17.021 -14.124 154 H TRP 21 H TRP 21 19.949 15.138 -20.124 155 HA TRP 21 HA TRP 21 17.609 16.290 -19.024 156 HB2 TRP 21 2HB TRP 21 18.575 18.426 -19.418 157 HB3 TRP 21 3HB TRP 21 19.166 17.946 -21.007 158 HD1 TRP 21 HD1 TRP 21 15.572 17.763 -19.536 159 HE1 TRP 21 HE1 TRP 21 13.991 18.963 -21.175 160 HE3 TRP 21 HE3 TRP 21 19.012 19.351 -22.969 161 HZ2 TRP 21 HZ2 TRP 21 14.178 20.393 -23.603 162 HZ3 TRP 21 HZ3 TRP 21 18.229 20.627 -24.920 163 HH2 TRP 21 HH2 TRP 21 15.861 21.136 -25.229 164 H SER 22 H SER 22 18.746 16.513 -22.376 165 HA SER 22 HA SER 22 17.808 15.706 -24.302 166 HB2 SER 22 2HB SER 22 19.048 13.703 -22.992 167 HB3 SER 22 3HB SER 22 17.423 13.028 -23.083 168 HG SER 22 HG SER 22 19.183 12.917 -24.945 169 H SER 23 H SER 23 15.904 16.913 -22.613 170 HA SER 23 HA SER 23 13.651 17.179 -22.441 171 HB2 SER 23 2HB SER 23 14.045 15.914 -24.911 172 HB3 SER 23 3HB SER 23 12.738 15.018 -24.138 173 HG SER 23 HG SER 23 12.026 16.855 -25.366 174 H TYR 24 H TYR 24 12.906 16.611 -20.508 175 HA TYR 24 HA TYR 24 13.239 14.215 -19.193 176 HB2 TYR 24 2HB TYR 24 10.998 16.227 -18.932 177 HB3 TYR 24 3HB TYR 24 11.275 14.912 -17.795 178 HD1 TYR 24 HD2 TYR 24 14.236 14.955 -17.615 179 HD2 TYR 24 HD1 TYR 24 11.425 18.147 -17.672 180 HE1 TYR 24 HE2 TYR 24 15.819 16.364 -16.367 181 HE2 TYR 24 HE1 TYR 24 13.000 19.566 -16.424 182 HH TYR 24 HH TYR 24 15.784 18.328 -14.913 183 HA PRO 25 HA PRO 25 10.504 11.274 -20.964 184 HB2 PRO 25 2HB PRO 25 9.797 9.830 -18.777 185 HB3 PRO 25 3HB PRO 25 11.403 9.741 -19.509 186 HG2 PRO 25 2HG PRO 25 10.497 11.288 -17.112 187 HG3 PRO 25 3HG PRO 25 11.979 10.343 -17.338 188 HD2 PRO 25 2HD PRO 25 11.927 13.041 -17.551 189 HD3 PRO 25 3HD PRO 25 13.027 12.029 -18.508 190 H LYS 26 H LYS 26 8.292 10.512 -21.001 191 HA LYS 26 HA LYS 26 6.433 12.577 -20.141 192 HB2 LYS 26 2HB LYS 26 6.200 10.204 -21.983 193 HB3 LYS 26 3HB LYS 26 4.795 11.140 -21.490 194 HG2 LYS 26 2HG LYS 26 5.349 12.912 -22.781 195 HG3 LYS 26 3HG LYS 26 7.084 12.660 -22.577 196 HD2 LYS 26 2HD LYS 26 7.216 11.514 -24.484 197 HD3 LYS 26 3HD LYS 26 5.870 10.470 -24.020 198 HE2 LYS 26 2HE LYS 26 4.330 11.740 -25.119 199 HE3 LYS 26 3HE LYS 26 5.223 13.238 -24.865 200 HZ1 LYS 26 3HZ LYS 26 6.236 13.023 -26.819 201 HZ2 LYS 26 1HZ LYS 26 5.109 11.815 -27.184 202 HZ3 LYS 26 2HZ LYS 26 6.622 11.398 -26.552 203 H TYR 27 H TYR 27 4.350 11.974 -19.174 204 HA TYR 27 HA TYR 27 4.597 10.674 -16.762 205 HB2 TYR 27 2HB TYR 27 2.643 11.782 -16.647 206 HB3 TYR 27 3HB TYR 27 2.393 11.691 -18.386 207 HD1 TYR 27 HD2 TYR 27 2.172 9.592 -15.310 208 HD2 TYR 27 HD1 TYR 27 0.683 10.361 -19.221 209 HE1 TYR 27 HE2 TYR 27 0.407 7.916 -14.961 210 HE2 TYR 27 HE1 TYR 27 -1.087 8.687 -18.882 211 HH TYR 27 HH TYR 27 -2.292 7.664 -16.874 212 H GLU 28 H GLU 28 4.909 8.624 -16.235 213 HA GLU 28 HA GLU 28 3.873 6.533 -18.035 214 HB2 GLU 28 2HB GLU 28 6.554 7.014 -17.125 215 HB3 GLU 28 3HB GLU 28 5.998 5.466 -16.504 216 HG2 GLU 28 2HG GLU 28 5.188 5.255 -19.056 217 HG3 GLU 28 3HG GLU 28 6.591 6.300 -19.263 218 HA PRO 29 HA PRO 29 1.598 5.639 -14.256 219 HB2 PRO 29 2HB PRO 29 -0.112 3.891 -15.434 220 HB3 PRO 29 3HB PRO 29 -0.304 5.645 -15.544 221 HG2 PRO 29 2HG PRO 29 0.877 3.741 -17.529 222 HG3 PRO 29 3HG PRO 29 -0.224 5.103 -17.804 223 HD2 PRO 29 2HD PRO 29 2.440 5.272 -18.250 224 HD3 PRO 29 3HD PRO 29 1.474 6.659 -17.708 225 H GLY 30 H GLY 30 2.219 4.208 -12.767 226 HA2 GLY 30 2HA GLY 30 2.391 1.916 -12.034 227 HA3 GLY 30 3HA GLY 30 2.957 1.493 -13.644 228 H LYS 31 H LYS 31 4.200 4.356 -12.173 229 HA LYS 31 HA LYS 31 6.597 2.962 -11.235 230 HB2 LYS 31 2HB LYS 31 6.469 4.350 -13.699 231 HB3 LYS 31 3HB LYS 31 7.398 5.360 -12.597 232 HG2 LYS 31 2HG LYS 31 8.471 2.890 -12.144 233 HG3 LYS 31 3HG LYS 31 8.097 2.827 -13.869 234 HD2 LYS 31 2HD LYS 31 9.215 5.339 -13.507 235 HD3 LYS 31 3HD LYS 31 10.181 4.285 -12.471 236 HE2 LYS 31 2HE LYS 31 9.583 3.216 -15.146 237 HE3 LYS 31 3HE LYS 31 10.610 4.649 -15.124 238 HZ1 LYS 31 3HZ LYS 31 11.349 2.020 -14.606 239 HZ2 LYS 31 1HZ LYS 31 11.474 2.851 -13.138 240 HZ3 LYS 31 2HZ LYS 31 12.313 3.406 -14.499 241 H GLU 32 H GLU 32 6.971 3.622 -9.233 242 HA GLU 32 HA GLU 32 5.700 5.636 -7.878 243 HB2 GLU 32 2HB GLU 32 8.035 3.964 -7.432 244 HB3 GLU 32 3HB GLU 32 8.215 5.547 -6.689 245 HG2 GLU 32 2HG GLU 32 7.226 4.386 -4.992 246 HG3 GLU 32 3HG GLU 32 5.811 5.072 -5.787 247 H TYR 33 H TYR 33 5.939 7.789 -7.600 248 HA TYR 33 HA TYR 33 8.159 9.099 -9.027 249 HB2 TYR 33 2HB TYR 33 5.253 9.884 -8.869 250 HB3 TYR 33 3HB TYR 33 6.510 11.019 -9.347 251 HD1 TYR 33 HD2 TYR 33 8.073 10.182 -11.298 252 HD2 TYR 33 HD1 TYR 33 4.180 8.657 -10.511 253 HE1 TYR 33 HE2 TYR 33 7.927 9.374 -13.616 254 HE2 TYR 33 HE1 TYR 33 4.024 7.844 -12.826 255 HH TYR 33 HH TYR 33 6.286 7.237 -14.718 256 H ASN 34 H ASN 34 9.511 9.796 -7.497 257 HA ASN 34 HA ASN 34 8.586 10.627 -4.901 258 HB2 ASN 34 2HB ASN 34 11.378 11.095 -5.895 259 HB3 ASN 34 3HB ASN 34 10.830 10.693 -4.270 260 HD21 ASN 34 1HD2 ASN 34 10.989 8.659 -3.637 261 HD22 ASN 34 2HD2 ASN 34 11.277 7.302 -4.667 262 H GLN 35 H GLN 35 9.342 12.735 -3.968 263 HA GLN 35 HA GLN 35 8.205 14.884 -5.308 264 HB2 GLN 35 2HB GLN 35 9.018 16.259 -3.567 265 HB3 GLN 35 3HB GLN 35 8.742 14.685 -2.833 266 HG2 GLN 35 2HG GLN 35 11.411 15.733 -3.750 267 HG3 GLN 35 3HG GLN 35 10.831 15.721 -2.085 268 HE21 GLN 35 1HE2 GLN 35 10.673 13.766 -0.983 269 HE22 GLN 35 2HE2 GLN 35 11.477 12.338 -1.530 270 H GLY 36 H GLY 36 8.954 16.498 -6.612 271 HA2 GLY 36 2HA GLY 36 10.601 17.804 -7.688 272 HA3 GLY 36 3HA GLY 36 11.811 16.615 -7.227 273 H ASP 37 H ASP 37 10.078 14.398 -8.196 274 HA ASP 37 HA ASP 37 11.165 14.035 -10.715 275 HB2 ASP 37 2HB ASP 37 8.712 12.845 -9.425 276 HB3 ASP 37 3HB ASP 37 9.281 12.335 -11.011 277 H ILE 38 H ILE 38 10.668 14.678 -12.722 278 HA ILE 38 HA ILE 38 8.106 16.079 -13.127 279 HB ILE 38 HB ILE 38 10.780 16.793 -14.337 280 HG12 ILE 38 2HG1 ILE 38 9.404 18.895 -12.902 281 HG13 ILE 38 3HG1 ILE 38 9.658 17.497 -11.864 282 HG21 ILE 38 1HG2 ILE 38 9.559 17.619 -16.011 283 HG22 ILE 38 2HG2 ILE 38 8.050 17.395 -15.129 284 HG23 ILE 38 3HG2 ILE 38 9.018 18.845 -14.865 285 HD11 ILE 38 3HD1 ILE 38 11.575 19.424 -12.936 286 HD12 ILE 38 1HD1 ILE 38 11.646 18.434 -11.478 287 HD13 ILE 38 2HD1 ILE 38 12.091 17.740 -13.038 288 H VAL 39 H VAL 39 6.958 15.583 -14.924 289 HA VAL 39 HA VAL 39 8.206 13.938 -17.001 290 HB VAL 39 HB VAL 39 6.472 12.295 -17.001 291 HG11 VAL 39 1HG1 VAL 39 7.514 12.807 -14.220 292 HG12 VAL 39 2HG1 VAL 39 6.718 11.313 -14.718 293 HG13 VAL 39 3HG1 VAL 39 8.240 11.795 -15.468 294 HG21 VAL 39 3HG2 VAL 39 4.805 12.481 -14.951 295 HG22 VAL 39 1HG2 VAL 39 5.123 14.202 -15.167 296 HG23 VAL 39 2HG2 VAL 39 4.462 13.254 -16.499 297 H GLU 40 H GLU 40 7.151 14.001 -19.022 298 HA GLU 40 HA GLU 40 5.618 16.430 -19.437 299 HB2 GLU 40 2HB GLU 40 7.444 15.982 -20.964 300 HB3 GLU 40 3HB GLU 40 6.764 14.413 -21.373 301 HG2 GLU 40 2HG GLU 40 4.837 15.504 -22.391 302 HG3 GLU 40 3HG GLU 40 5.503 17.081 -21.969 303 H TYR 41 H TYR 41 3.509 16.550 -19.963 304 HA TYR 41 HA TYR 41 2.063 14.089 -20.618 305 HB2 TYR 41 2HB TYR 41 1.862 14.466 -18.172 306 HB3 TYR 41 3HB TYR 41 1.149 16.042 -18.497 307 HD1 TYR 41 HD2 TYR 41 0.643 12.399 -19.004 308 HD2 TYR 41 HD1 TYR 41 -1.155 16.255 -18.912 309 HE1 TYR 41 HE2 TYR 41 -1.582 11.358 -19.132 310 HE2 TYR 41 HE1 TYR 41 -3.385 15.224 -19.039 311 HH TYR 41 HH TYR 41 -3.798 11.803 -19.612 312 H ASN 42 H ASN 42 1.135 14.465 -22.513 313 HA ASN 42 HA ASN 42 0.086 15.503 -24.246 314 HB2 ASN 42 2HB ASN 42 -1.237 16.813 -21.874 315 HB3 ASN 42 3HB ASN 42 -1.733 17.157 -23.528 316 HD21 ASN 42 1HD2 ASN 42 -0.925 14.285 -21.599 317 HD22 ASN 42 2HD2 ASN 42 -2.304 13.364 -22.087 318 H GLY 43 H GLY 43 2.631 16.530 -23.616 319 HA2 GLY 43 2HA GLY 43 3.926 18.253 -24.461 320 HA3 GLY 43 3HA GLY 43 2.451 19.080 -24.938 321 H LYS 44 H LYS 44 2.584 18.058 -21.678 322 HA LYS 44 HA LYS 44 3.123 20.832 -20.846 323 HB2 LYS 44 2HB LYS 44 0.870 19.360 -20.380 324 HB3 LYS 44 3HB LYS 44 1.795 19.048 -18.918 325 HG2 LYS 44 2HG LYS 44 1.147 20.994 -18.099 326 HG3 LYS 44 3HG LYS 44 1.944 21.824 -19.437 327 HD2 LYS 44 2HD LYS 44 0.004 22.042 -20.637 328 HD3 LYS 44 3HD LYS 44 -0.727 20.603 -19.921 329 HE2 LYS 44 2HE LYS 44 -0.536 22.156 -17.737 330 HE3 LYS 44 3HE LYS 44 -0.705 23.402 -18.973 331 HZ1 LYS 44 3HZ LYS 44 -2.552 21.130 -19.037 332 HZ2 LYS 44 1HZ LYS 44 -2.807 22.741 -19.487 333 HZ3 LYS 44 2HZ LYS 44 -2.788 22.313 -17.851 334 H LEU 45 H LEU 45 3.650 20.674 -18.270 335 HA LEU 45 HA LEU 45 5.614 18.583 -17.773 336 HB2 LEU 45 2HB LEU 45 6.244 21.444 -18.237 337 HB3 LEU 45 3HB LEU 45 7.115 20.618 -16.948 338 HG LEU 45 HG LEU 45 7.078 19.819 -19.858 339 HD11 LEU 45 1HD1 LEU 45 8.677 21.341 -20.089 340 HD12 LEU 45 2HD1 LEU 45 9.672 20.374 -19.001 341 HD13 LEU 45 3HD1 LEU 45 8.682 21.685 -18.359 342 HD21 LEU 45 3HD2 LEU 45 8.431 18.622 -17.449 343 HD22 LEU 45 1HD2 LEU 45 8.917 18.278 -19.109 344 HD23 LEU 45 2HD2 LEU 45 7.299 17.844 -18.556 345 H TYR 46 H TYR 46 4.984 17.810 -15.872 346 HA TYR 46 HA TYR 46 4.180 19.723 -13.779 347 HB2 TYR 46 2HB TYR 46 3.307 16.846 -14.115 348 HB3 TYR 46 3HB TYR 46 2.803 17.928 -12.821 349 HD1 TYR 46 HD2 TYR 46 1.272 19.792 -13.287 350 HD2 TYR 46 HD1 TYR 46 2.358 17.013 -16.320 351 HE1 TYR 46 HE2 TYR 46 -0.614 20.566 -14.664 352 HE2 TYR 46 HE1 TYR 46 0.476 17.779 -17.705 353 HH TYR 46 HH TYR 46 -1.798 20.229 -16.520 354 H LYS 47 H LYS 47 4.733 19.158 -11.584 355 HA LYS 47 HA LYS 47 6.988 17.288 -11.340 356 HB2 LYS 47 2HB LYS 47 8.025 19.437 -11.471 357 HB3 LYS 47 3HB LYS 47 6.859 20.138 -10.357 358 HG2 LYS 47 2HG LYS 47 7.901 19.302 -8.519 359 HG3 LYS 47 3HG LYS 47 8.505 17.879 -9.371 360 HD2 LYS 47 2HD LYS 47 10.484 18.928 -9.353 361 HD3 LYS 47 3HD LYS 47 9.810 19.931 -10.639 362 HE2 LYS 47 2HE LYS 47 9.104 21.588 -9.032 363 HE3 LYS 47 3HE LYS 47 9.622 20.561 -7.697 364 HZ1 LYS 47 3HZ LYS 47 11.552 21.406 -9.758 365 HZ2 LYS 47 1HZ LYS 47 11.839 20.931 -8.159 366 HZ3 LYS 47 2HZ LYS 47 11.159 22.446 -8.483 367 H ALA 48 H ALA 48 6.626 15.837 -9.806 368 HA ALA 48 HA ALA 48 4.388 15.905 -8.103 369 HB1 ALA 48 1HB ALA 48 5.212 13.780 -8.654 370 HB2 ALA 48 2HB ALA 48 6.854 14.193 -8.160 371 HB3 ALA 48 3HB ALA 48 5.595 13.981 -6.943 372 H LYS 49 H LYS 49 4.091 17.177 -6.405 373 HA LYS 49 HA LYS 49 6.079 18.705 -5.159 374 HB2 LYS 49 2HB LYS 49 3.482 17.879 -3.865 375 HB3 LYS 49 3HB LYS 49 4.411 19.346 -3.578 376 HG2 LYS 49 2HG LYS 49 3.951 19.867 -6.054 377 HG3 LYS 49 3HG LYS 49 2.696 18.633 -5.924 378 HD2 LYS 49 2HD LYS 49 1.348 19.973 -4.733 379 HD3 LYS 49 3HD LYS 49 2.675 20.568 -3.732 380 HE2 LYS 49 2HE LYS 49 3.360 21.922 -5.804 381 HE3 LYS 49 3HE LYS 49 1.745 21.558 -6.409 382 HZ1 LYS 49 3HZ LYS 49 1.302 23.482 -5.332 383 HZ2 LYS 49 1HZ LYS 49 2.558 23.298 -4.214 384 HZ3 LYS 49 2HZ LYS 49 1.114 22.440 -4.013 385 H TYR 50 H TYR 50 4.486 15.714 -4.076 386 HA TYR 50 HA TYR 50 6.853 15.111 -2.465 387 HB2 TYR 50 2HB TYR 50 5.617 14.624 -0.492 388 HB3 TYR 50 3HB TYR 50 5.074 16.209 -1.031 389 HD1 TYR 50 HD1 TYR 50 2.980 16.070 -2.719 390 HD2 TYR 50 HD2 TYR 50 3.993 13.150 0.207 391 HE1 TYR 50 HE1 TYR 50 0.651 15.279 -2.711 392 HE2 TYR 50 HE2 TYR 50 1.668 12.350 0.221 393 HH TYR 50 HH TYR 50 -0.490 12.951 -0.375 394 H TRP 51 H TRP 51 6.577 12.800 -1.506 395 HA TRP 51 HA TRP 51 6.553 10.966 -3.558 396 HB2 TRP 51 2HB TRP 51 7.168 10.838 -0.932 397 HB3 TRP 51 3HB TRP 51 5.651 9.945 -0.927 398 HD1 TRP 51 HD1 TRP 51 9.083 9.847 -2.727 399 HE1 TRP 51 HE1 TRP 51 9.611 7.393 -3.293 400 HE3 TRP 51 HE3 TRP 51 4.732 7.692 -1.129 401 HZ2 TRP 51 HZ2 TRP 51 8.349 4.876 -3.090 402 HZ3 TRP 51 HZ3 TRP 51 4.472 5.255 -1.350 403 HH2 TRP 51 HH2 TRP 51 6.245 3.878 -2.312 404 H THR 52 H THR 52 4.953 10.471 -4.897 405 HA THR 52 HA THR 52 2.447 9.489 -3.890 406 HB THR 52 HB THR 52 2.315 11.911 -5.688 407 HG1 THR 52 HG1 THR 52 2.942 12.729 -3.742 408 HG21 THR 52 3HG2 THR 52 0.382 9.980 -4.607 409 HG22 THR 52 1HG2 THR 52 0.275 11.015 -6.031 410 HG23 THR 52 2HG2 THR 52 -0.090 11.671 -4.435 411 H THR 53 H THR 53 1.181 8.443 -5.501 412 HA THR 53 HA THR 53 2.531 8.087 -8.093 413 HB THR 53 HB THR 53 2.010 5.710 -8.071 414 HG1 THR 53 HG1 THR 53 1.312 4.910 -5.864 415 HG21 THR 53 3HG2 THR 53 4.057 6.824 -6.785 416 HG22 THR 53 1HG2 THR 53 3.793 5.081 -6.792 417 HG23 THR 53 2HG2 THR 53 3.280 6.045 -5.407 418 H SER 54 H SER 54 1.194 8.993 -9.525 419 HA SER 54 HA SER 54 -1.254 7.887 -10.228 420 HB2 SER 54 2HB SER 54 -2.550 8.691 -8.540 421 HB3 SER 54 3HB SER 54 -1.417 9.983 -8.148 422 HG SER 54 HG SER 54 -3.623 10.389 -9.266 423 HA PRO 55 HA PRO 55 -0.435 10.330 -13.783 424 HB2 PRO 55 2HB PRO 55 -2.900 10.411 -14.916 425 HB3 PRO 55 3HB PRO 55 -1.896 8.956 -14.904 426 HG2 PRO 55 2HG PRO 55 -4.175 9.700 -13.110 427 HG3 PRO 55 3HG PRO 55 -3.809 8.137 -13.865 428 HD2 PRO 55 2HD PRO 55 -3.225 8.678 -11.276 429 HD3 PRO 55 3HD PRO 55 -2.230 7.597 -12.274 430 HA PRO 56 HA PRO 56 -1.393 14.543 -12.922 431 HB2 PRO 56 2HB PRO 56 -1.073 15.615 -15.395 432 HB3 PRO 56 3HB PRO 56 0.285 15.083 -14.397 433 HG2 PRO 56 2HG PRO 56 -1.072 13.669 -16.660 434 HG3 PRO 56 3HG PRO 56 0.659 13.808 -16.306 435 HD2 PRO 56 2HD PRO 56 -0.778 11.594 -15.701 436 HD3 PRO 56 3HD PRO 56 0.597 12.137 -14.719 437 H SER 57 H SER 57 -3.217 15.694 -12.729 438 HA SER 57 HA SER 57 -5.085 16.200 -14.737 439 HB2 SER 57 2HB SER 57 -5.402 13.616 -13.475 440 HB3 SER 57 3HB SER 57 -6.813 14.631 -13.178 441 HG SER 57 HG SER 57 -7.194 14.759 -15.313 442 H ASP 58 H ASP 58 -5.615 15.215 -11.357 443 HA ASP 58 HA ASP 58 -6.031 18.020 -10.629 444 HB2 ASP 58 2HB ASP 58 -8.129 16.083 -10.936 445 HB3 ASP 58 3HB ASP 58 -8.007 16.547 -9.241 446 H ASP 59 H ASP 59 -4.779 18.435 -8.946 447 HA ASP 59 HA ASP 59 -4.192 16.260 -7.050 448 HB2 ASP 59 2HB ASP 59 -2.276 18.010 -6.451 449 HB3 ASP 59 3HB ASP 59 -2.098 16.851 -7.766 450 HA PRO 60 HA PRO 60 -6.857 19.176 -4.682 451 HB2 PRO 60 2HB PRO 60 -8.088 17.224 -3.253 452 HB3 PRO 60 3HB PRO 60 -8.628 17.724 -4.860 453 HG2 PRO 60 2HG PRO 60 -6.949 15.374 -4.072 454 HG3 PRO 60 3HG PRO 60 -8.285 15.454 -5.234 455 HD2 PRO 60 2HD PRO 60 -5.687 15.475 -5.997 456 HD3 PRO 60 3HD PRO 60 -6.952 16.337 -6.895 457 H TYR 61 H TYR 61 -4.445 16.875 -3.939 458 HA TYR 61 HA TYR 61 -4.289 17.851 -1.163 459 HB2 TYR 61 2HB TYR 61 -2.650 15.681 -1.185 460 HB3 TYR 61 3HB TYR 61 -4.350 15.631 -0.732 461 HD1 TYR 61 HD2 TYR 61 -2.193 15.387 -3.774 462 HD2 TYR 61 HD1 TYR 61 -5.715 14.086 -1.775 463 HE1 TYR 61 HE2 TYR 61 -2.620 13.780 -5.587 464 HE2 TYR 61 HE1 TYR 61 -6.153 12.474 -3.581 465 HH TYR 61 HH TYR 61 -5.531 11.754 -5.597 466 H GLY 62 H GLY 62 -2.940 18.234 -4.152 467 HA2 GLY 62 2HA GLY 62 -1.107 19.535 -4.737 468 HA3 GLY 62 3HA GLY 62 -0.626 19.564 -3.047 469 H SER 63 H SER 63 -1.132 16.903 -5.359 470 HA SER 63 HA SER 63 1.395 15.733 -4.500 471 HB2 SER 63 2HB SER 63 0.673 13.730 -5.622 472 HB3 SER 63 3HB SER 63 -0.702 14.356 -4.712 473 HG SER 63 HG SER 63 -0.697 13.758 -7.221 474 H TRP 64 H TRP 64 0.250 17.734 -6.956 475 HA TRP 64 HA TRP 64 2.722 17.321 -8.476 476 HB2 TRP 64 2HB TRP 64 -0.080 17.248 -9.556 477 HB3 TRP 64 3HB TRP 64 1.252 17.786 -10.574 478 HD1 TRP 64 HD1 TRP 64 -0.440 14.697 -9.343 479 HE1 TRP 64 HE1 TRP 64 0.822 12.611 -10.168 480 HE3 TRP 64 HE3 TRP 64 3.816 16.951 -11.056 481 HZ2 TRP 64 HZ2 TRP 64 3.297 12.003 -11.383 482 HZ3 TRP 64 HZ3 TRP 64 5.582 15.547 -12.036 483 HH2 TRP 64 HH2 TRP 64 5.327 13.124 -12.195 484 H GLU 65 H GLU 65 3.271 19.161 -9.865 485 HA GLU 65 HA GLU 65 1.907 21.664 -9.263 486 HB2 GLU 65 2HB GLU 65 3.831 21.138 -7.580 487 HB3 GLU 65 3HB GLU 65 4.885 21.575 -8.917 488 HG2 GLU 65 2HG GLU 65 3.687 23.755 -9.054 489 HG3 GLU 65 3HG GLU 65 2.821 23.308 -7.585 490 H TYR 66 H TYR 66 1.500 22.452 -11.217 491 HA TYR 66 HA TYR 66 2.969 21.773 -13.541 492 HB2 TYR 66 2HB TYR 66 0.702 22.341 -13.873 493 HB3 TYR 66 3HB TYR 66 0.855 23.837 -12.960 494 HD1 TYR 66 HD2 TYR 66 1.850 25.819 -13.977 495 HD2 TYR 66 HD1 TYR 66 1.406 22.210 -16.187 496 HE1 TYR 66 HE2 TYR 66 2.248 27.056 -16.065 497 HE2 TYR 66 HE1 TYR 66 1.804 23.437 -18.281 498 HH TYR 66 HH TYR 66 2.074 25.443 -19.218 499 H LEU 67 H LEU 67 4.969 22.434 -13.947 500 HA LEU 67 HA LEU 67 5.866 25.037 -12.965 501 HB2 LEU 67 2HB LEU 67 7.541 22.955 -14.336 502 HB3 LEU 67 3HB LEU 67 8.080 24.283 -13.310 503 HG LEU 67 HG LEU 67 6.546 21.862 -12.364 504 HD11 LEU 67 1HD1 LEU 67 8.576 20.916 -12.703 505 HD12 LEU 67 2HD1 LEU 67 8.909 21.669 -11.144 506 HD13 LEU 67 3HD1 LEU 67 9.432 22.456 -12.634 507 HD21 LEU 67 3HD2 LEU 67 7.744 23.014 -10.196 508 HD22 LEU 67 1HD2 LEU 67 6.054 23.222 -10.656 509 HD23 LEU 67 2HD2 LEU 67 7.254 24.422 -11.140 510 H GLY 68 H GLY 68 4.883 23.466 -15.849 511 HA2 GLY 68 2HA GLY 68 4.621 25.668 -17.426 512 HA3 GLY 68 3HA GLY 68 6.299 25.200 -17.661 513 H GLU 69 H GLU 69 5.535 24.970 -19.919 514 HA GLU 69 HA GLU 69 4.262 22.345 -20.338 515 HB2 GLU 69 2HB GLU 69 3.726 24.943 -21.507 516 HB3 GLU 69 3HB GLU 69 4.108 23.756 -22.746 517 HG2 GLU 69 2HG GLU 69 2.357 22.296 -21.930 518 HG3 GLU 69 3HG GLU 69 2.000 23.424 -20.625 519 H ALA 70 H ALA 70 5.087 21.005 -21.981 520 HA ALA 70 HA ALA 70 7.830 20.788 -22.169 521 HB1 ALA 70 1HB ALA 70 6.564 18.887 -22.709 522 HB2 ALA 70 2HB ALA 70 5.642 19.747 -23.944 523 HB3 ALA 70 3HB ALA 70 7.341 19.360 -24.220 524 H GLU 71 H GLU 71 5.599 22.273 -24.505 525 HA GLU 71 HA GLU 71 7.928 23.572 -25.760 526 HB2 GLU 71 2HB GLU 71 5.315 22.852 -27.098 527 HB3 GLU 71 3HB GLU 71 6.719 23.576 -27.869 528 HG2 GLU 71 2HG GLU 71 8.002 21.587 -27.561 529 HG3 GLU 71 3HG GLU 71 6.737 20.865 -26.568 530 HA PRO 72 HA PRO 72 5.740 27.129 -24.067 531 HB2 PRO 72 2HB PRO 72 7.810 28.848 -24.425 532 HB3 PRO 72 3HB PRO 72 7.719 27.726 -23.063 533 HG2 PRO 72 2HG PRO 72 9.246 27.474 -25.625 534 HG3 PRO 72 3HG PRO 72 9.763 27.093 -23.972 535 HD2 PRO 72 2HD PRO 72 8.951 25.192 -25.719 536 HD3 PRO 72 3HD PRO 72 8.684 25.057 -23.969 537 H THR 73 H THR 73 4.709 28.852 -25.012 538 HA THR 73 HA THR 73 4.869 28.993 -27.927 539 HB THR 73 HB THR 73 2.845 30.265 -26.075 540 HG1 THR 73 HG1 THR 73 2.145 28.269 -25.957 541 HG21 THR 73 3HG2 THR 73 1.810 29.814 -28.658 542 HG22 THR 73 1HG2 THR 73 3.385 30.578 -28.872 543 HG23 THR 73 2HG2 THR 73 2.151 31.362 -27.886 Start of MODEL 2 1 H1 GLY 1 H GLY 1 28.023 5.074 -9.332 2 HA2 GLY 1 2HA GLY 1 30.029 5.320 -7.539 3 HA3 GLY 1 3HA GLY 1 29.301 6.919 -7.509 4 HA PRO 2 HA PRO 2 27.074 3.843 -4.663 5 HB2 PRO 2 2HB PRO 2 27.893 4.881 -2.293 6 HB3 PRO 2 3HB PRO 2 28.772 3.599 -3.134 7 HG2 PRO 2 2HG PRO 2 29.316 6.542 -3.072 8 HG3 PRO 2 3HG PRO 2 30.457 5.190 -2.950 9 HD2 PRO 2 2HD PRO 2 30.077 6.570 -5.247 10 HD3 PRO 2 3HD PRO 2 30.488 4.844 -5.227 11 H SER 3 H SER 3 25.209 4.338 -3.473 12 HA SER 3 HA SER 3 24.461 7.188 -3.419 13 HB2 SER 3 2HB SER 3 22.884 4.806 -4.362 14 HB3 SER 3 3HB SER 3 22.066 6.259 -3.786 15 HG SER 3 HG SER 3 23.163 7.437 -5.387 16 H THR 4 H THR 4 23.539 7.938 -1.589 17 HA THR 4 HA THR 4 23.109 5.992 0.581 18 HB THR 4 HB THR 4 23.346 8.274 1.955 19 HG1 THR 4 HG1 THR 4 23.996 9.785 0.612 20 HG21 THR 4 3HG2 THR 4 25.956 7.685 1.815 21 HG22 THR 4 1HG2 THR 4 25.298 6.237 1.054 22 HG23 THR 4 2HG2 THR 4 24.796 6.682 2.685 23 H SER 5 H SER 5 22.114 9.363 -0.013 24 HA SER 5 HA SER 5 19.328 8.531 0.457 25 HB2 SER 5 2HB SER 5 19.819 11.277 1.245 26 HB3 SER 5 3HB SER 5 19.107 9.959 2.175 27 HG SER 5 HG SER 5 20.910 10.254 3.272 28 H MET 6 H MET 6 17.862 9.246 -0.974 29 HA MET 6 HA MET 6 18.125 11.642 -2.471 30 HB2 MET 6 2HB MET 6 19.808 10.205 -3.631 31 HB3 MET 6 3HB MET 6 18.513 9.087 -4.040 32 HG2 MET 6 2HG MET 6 17.510 10.594 -5.504 33 HG3 MET 6 3HG MET 6 18.371 11.972 -4.820 34 HE1 MET 6 3HE MET 6 18.789 8.612 -6.787 35 HE2 MET 6 1HE MET 6 20.461 8.716 -7.336 36 HE3 MET 6 2HE MET 6 20.108 8.526 -5.619 37 H GLU 7 H GLU 7 16.281 12.087 -3.759 38 HA GLU 7 HA GLU 7 14.082 10.150 -3.508 39 HB2 GLU 7 2HB GLU 7 14.124 13.047 -2.735 40 HB3 GLU 7 3HB GLU 7 12.621 12.300 -3.263 41 HG2 GLU 7 2HG GLU 7 12.435 11.018 -1.399 42 HG3 GLU 7 3HG GLU 7 14.178 10.903 -1.166 43 H ASN 8 H ASN 8 15.105 13.173 -5.084 44 HA ASN 8 HA ASN 8 13.303 12.837 -7.282 45 HB2 ASN 8 2HB ASN 8 13.950 15.073 -6.654 46 HB3 ASN 8 3HB ASN 8 15.656 14.689 -6.862 47 HD21 ASN 8 1HD2 ASN 8 12.656 14.441 -8.748 48 HD22 ASN 8 2HD2 ASN 8 13.322 15.085 -10.206 49 H LEU 9 H LEU 9 14.052 10.572 -7.691 50 HA LEU 9 HA LEU 9 16.573 10.392 -9.157 51 HB2 LEU 9 2HB LEU 9 16.362 8.046 -9.007 52 HB3 LEU 9 3HB LEU 9 15.908 8.695 -7.432 53 HG LEU 9 HG LEU 9 13.563 8.388 -9.052 54 HD11 LEU 9 1HD1 LEU 9 13.548 6.049 -9.462 55 HD12 LEU 9 2HD1 LEU 9 15.107 5.833 -8.665 56 HD13 LEU 9 3HD1 LEU 9 15.014 6.694 -10.201 57 HD21 LEU 9 3HD2 LEU 9 13.970 8.418 -6.495 58 HD22 LEU 9 1HD2 LEU 9 14.295 6.696 -6.694 59 HD23 LEU 9 2HD2 LEU 9 12.725 7.356 -7.153 60 H VAL 10 H VAL 10 13.815 11.580 -10.012 61 HA VAL 10 HA VAL 10 12.693 10.133 -12.074 62 HB VAL 10 HB VAL 10 11.890 12.348 -11.189 63 HG11 VAL 10 1HG1 VAL 10 12.782 14.373 -11.928 64 HG12 VAL 10 2HG1 VAL 10 14.206 13.399 -11.554 65 HG13 VAL 10 3HG1 VAL 10 13.692 13.604 -13.229 66 HG21 VAL 10 3HG2 VAL 10 11.219 11.133 -13.405 67 HG22 VAL 10 1HG2 VAL 10 10.651 12.772 -13.083 68 HG23 VAL 10 2HG2 VAL 10 12.017 12.509 -14.167 69 H SER 11 H SER 11 15.722 11.855 -11.998 70 HA SER 11 HA SER 11 16.174 12.044 -14.774 71 HB2 SER 11 2HB SER 11 18.029 11.998 -12.397 72 HB3 SER 11 3HB SER 11 18.629 12.152 -14.048 73 HG SER 11 HG SER 11 16.669 13.869 -12.933 74 H LEU 12 H LEU 12 16.961 9.540 -12.405 75 HA LEU 12 HA LEU 12 18.251 7.882 -14.392 76 HB2 LEU 12 2HB LEU 12 18.340 8.085 -11.615 77 HB3 LEU 12 3HB LEU 12 17.565 6.534 -11.928 78 HG LEU 12 HG LEU 12 20.195 7.310 -13.167 79 HD11 LEU 12 1HD1 LEU 12 20.708 5.448 -11.187 80 HD12 LEU 12 2HD1 LEU 12 19.613 6.598 -10.421 81 HD13 LEU 12 3HD1 LEU 12 21.116 7.164 -11.148 82 HD21 LEU 12 3HD2 LEU 12 20.370 4.767 -13.210 83 HD22 LEU 12 1HD2 LEU 12 19.238 5.516 -14.337 84 HD23 LEU 12 2HD2 LEU 12 18.641 4.759 -12.861 85 H GLN 13 H GLN 13 15.086 8.441 -13.340 86 HA GLN 13 HA GLN 13 13.847 5.981 -13.414 87 HB2 GLN 13 2HB GLN 13 13.023 8.636 -13.354 88 HB3 GLN 13 3HB GLN 13 12.289 7.996 -14.819 89 HG2 GLN 13 2HG GLN 13 10.735 6.951 -13.647 90 HG3 GLN 13 3HG GLN 13 11.955 6.126 -12.680 91 HE21 GLN 13 1HE2 GLN 13 9.341 8.027 -12.472 92 HE22 GLN 13 2HE2 GLN 13 9.667 8.846 -10.986 93 H ASN 14 H ASN 14 14.609 8.119 -16.144 94 HA ASN 14 HA ASN 14 15.128 6.049 -17.945 95 HB2 ASN 14 2HB ASN 14 13.003 6.594 -19.416 96 HB3 ASN 14 3HB ASN 14 12.934 5.366 -18.155 97 HD21 ASN 14 1HD2 ASN 14 10.782 5.541 -17.739 98 HD22 ASN 14 2HD2 ASN 14 10.056 6.942 -17.034 99 H LEU 15 H LEU 15 16.828 7.560 -18.270 100 HA LEU 15 HA LEU 15 16.420 9.288 -20.482 101 HB2 LEU 15 2HB LEU 15 15.568 10.587 -18.418 102 HB3 LEU 15 3HB LEU 15 17.275 10.748 -18.009 103 HG LEU 15 HG LEU 15 17.631 11.877 -20.198 104 HD11 LEU 15 1HD1 LEU 15 16.071 11.796 -21.767 105 HD12 LEU 15 2HD1 LEU 15 14.976 12.702 -20.723 106 HD13 LEU 15 3HD1 LEU 15 14.989 10.940 -20.669 107 HD21 LEU 15 3HD2 LEU 15 16.826 13.984 -19.481 108 HD22 LEU 15 1HD2 LEU 15 17.178 13.064 -18.018 109 HD23 LEU 15 2HD2 LEU 15 15.510 13.251 -18.563 110 H LEU 16 H LEU 16 18.285 9.524 -21.573 111 HA LEU 16 HA LEU 16 20.791 8.906 -20.152 112 HB2 LEU 16 2HB LEU 16 19.842 8.026 -22.860 113 HB3 LEU 16 3HB LEU 16 21.550 8.022 -22.429 114 HG LEU 16 HG LEU 16 19.530 6.537 -20.781 115 HD11 LEU 16 1HD1 LEU 16 20.194 4.520 -22.112 116 HD12 LEU 16 2HD1 LEU 16 20.893 5.618 -23.302 117 HD13 LEU 16 3HD1 LEU 16 19.163 5.669 -22.964 118 HD21 LEU 16 3HD2 LEU 16 22.372 6.933 -20.750 119 HD22 LEU 16 1HD2 LEU 16 21.998 5.222 -20.961 120 HD23 LEU 16 2HD2 LEU 16 21.344 6.103 -19.580 121 H VAL 17 H VAL 17 20.243 11.450 -20.122 122 HA VAL 17 HA VAL 17 20.709 13.066 -22.315 123 HB VAL 17 HB VAL 17 21.586 14.757 -20.666 124 HG11 VAL 17 1HG1 VAL 17 19.311 14.428 -19.227 125 HG12 VAL 17 2HG1 VAL 17 19.377 15.138 -20.840 126 HG13 VAL 17 3HG1 VAL 17 18.965 13.435 -20.641 127 HG21 VAL 17 3HG2 VAL 17 22.267 14.160 -18.633 128 HG22 VAL 17 1HG2 VAL 17 20.756 13.305 -18.320 129 HG23 VAL 17 2HG2 VAL 17 22.086 12.477 -19.129 130 H TYR 18 H TYR 18 22.712 14.536 -22.517 131 HA TYR 18 HA TYR 18 25.140 12.872 -22.362 132 HB2 TYR 18 2HB TYR 18 24.506 14.868 -24.541 133 HB3 TYR 18 3HB TYR 18 25.876 13.766 -24.478 134 HD1 TYR 18 HD2 TYR 18 25.437 11.281 -24.645 135 HD2 TYR 18 HD1 TYR 18 22.451 14.196 -25.477 136 HE1 TYR 18 HE2 TYR 18 24.141 9.593 -25.878 137 HE2 TYR 18 HE1 TYR 18 21.146 12.516 -26.711 138 HH TYR 18 HH TYR 18 22.219 9.141 -26.914 139 H VAL 19 H VAL 19 23.801 16.137 -22.335 140 HA VAL 19 HA VAL 19 26.279 17.076 -21.041 141 HB VAL 19 HB VAL 19 25.497 19.382 -21.777 142 HG11 VAL 19 1HG1 VAL 19 27.371 18.252 -22.828 143 HG12 VAL 19 2HG1 VAL 19 26.270 17.367 -23.885 144 HG13 VAL 19 3HG1 VAL 19 26.424 19.118 -24.038 145 HG21 VAL 19 3HG2 VAL 19 24.031 19.397 -23.787 146 HG22 VAL 19 1HG2 VAL 19 23.692 17.690 -23.499 147 HG23 VAL 19 2HG2 VAL 19 23.204 18.898 -22.310 148 H ASN 20 H ASN 20 22.747 17.353 -21.076 149 HA ASN 20 HA ASN 20 22.456 17.338 -18.306 150 HB2 ASN 20 2HB ASN 20 23.466 19.460 -18.104 151 HB3 ASN 20 3HB ASN 20 22.650 20.079 -19.536 152 HD21 ASN 20 1HD2 ASN 20 20.870 21.228 -19.255 153 HD22 ASN 20 2HD2 ASN 20 19.957 21.330 -17.792 154 H TRP 21 H TRP 21 21.232 18.445 -21.399 155 HA TRP 21 HA TRP 21 18.544 17.584 -20.566 156 HB2 TRP 21 2HB TRP 21 17.973 19.769 -20.718 157 HB3 TRP 21 3HB TRP 21 19.402 20.176 -21.664 158 HD1 TRP 21 HD1 TRP 21 15.732 19.344 -22.013 159 HE1 TRP 21 HE1 TRP 21 15.035 19.587 -24.478 160 HE3 TRP 21 HE3 TRP 21 20.361 19.891 -24.114 161 HZ2 TRP 21 HZ2 TRP 21 16.282 19.959 -26.983 162 HZ3 TRP 21 HZ3 TRP 21 20.521 20.185 -26.552 163 HH2 TRP 21 HH2 TRP 21 18.523 20.218 -27.955 164 H SER 22 H SER 22 17.292 16.562 -22.133 165 HA SER 22 HA SER 22 17.955 16.355 -24.857 166 HB2 SER 22 2HB SER 22 19.831 15.011 -23.602 167 HB3 SER 22 3HB SER 22 18.584 13.771 -23.476 168 HG SER 22 HG SER 22 18.360 14.166 -25.857 169 H SER 23 H SER 23 15.635 16.825 -24.540 170 HA SER 23 HA SER 23 13.429 16.255 -24.515 171 HB2 SER 23 2HB SER 23 14.853 14.093 -25.922 172 HB3 SER 23 3HB SER 23 13.243 13.659 -25.347 173 HG SER 23 HG SER 23 13.827 15.971 -26.884 174 H TYR 24 H TYR 24 13.112 16.364 -22.276 175 HA TYR 24 HA TYR 24 13.713 14.473 -20.368 176 HB2 TYR 24 2HB TYR 24 11.575 16.539 -20.623 177 HB3 TYR 24 3HB TYR 24 11.442 15.362 -19.321 178 HD1 TYR 24 HD2 TYR 24 14.607 16.742 -20.653 179 HD2 TYR 24 HD1 TYR 24 11.784 16.801 -17.470 180 HE1 TYR 24 HE2 TYR 24 16.171 18.072 -19.297 181 HE2 TYR 24 HE1 TYR 24 13.338 18.132 -16.106 182 HH TYR 24 HH TYR 24 15.728 18.592 -15.960 183 HA PRO 25 HA PRO 25 11.179 10.951 -21.019 184 HB2 PRO 25 2HB PRO 25 10.576 10.222 -18.475 185 HB3 PRO 25 3HB PRO 25 12.186 10.020 -19.177 186 HG2 PRO 25 2HG PRO 25 11.165 12.175 -17.367 187 HG3 PRO 25 3HG PRO 25 12.715 11.312 -17.317 188 HD2 PRO 25 2HD PRO 25 12.464 13.797 -18.365 189 HD3 PRO 25 3HD PRO 25 13.637 12.615 -18.980 190 H LYS 26 H LYS 26 9.027 10.032 -20.682 191 HA LYS 26 HA LYS 26 7.026 12.145 -20.275 192 HB2 LYS 26 2HB LYS 26 7.002 9.592 -21.874 193 HB3 LYS 26 3HB LYS 26 5.519 10.460 -21.495 194 HG2 LYS 26 2HG LYS 26 6.015 12.200 -22.887 195 HG3 LYS 26 3HG LYS 26 7.758 11.969 -22.736 196 HD2 LYS 26 2HD LYS 26 6.583 9.648 -23.934 197 HD3 LYS 26 3HD LYS 26 6.063 11.090 -24.810 198 HE2 LYS 26 2HE LYS 26 8.171 11.585 -25.516 199 HE3 LYS 26 3HE LYS 26 8.931 10.897 -24.083 200 HZ1 LYS 26 3HZ LYS 26 9.246 8.984 -25.134 201 HZ2 LYS 26 1HZ LYS 26 8.752 9.738 -26.566 202 HZ3 LYS 26 2HZ LYS 26 7.630 8.893 -25.624 203 H TYR 27 H TYR 27 4.971 11.518 -19.276 204 HA TYR 27 HA TYR 27 5.258 10.457 -16.747 205 HB2 TYR 27 2HB TYR 27 3.336 11.757 -17.123 206 HB3 TYR 27 3HB TYR 27 2.851 10.800 -18.518 207 HD1 TYR 27 HD2 TYR 27 3.669 10.011 -14.951 208 HD2 TYR 27 HD1 TYR 27 0.882 9.671 -18.148 209 HE1 TYR 27 HE2 TYR 27 2.191 8.670 -13.513 210 HE2 TYR 27 HE1 TYR 27 -0.604 8.331 -16.719 211 HH TYR 27 HH TYR 27 0.405 7.104 -13.659 212 H GLU 28 H GLU 28 5.753 8.478 -16.105 213 HA GLU 28 HA GLU 28 5.010 6.200 -17.803 214 HB2 GLU 28 2HB GLU 28 7.443 6.809 -16.817 215 HB3 GLU 28 3HB GLU 28 6.838 5.804 -15.507 216 HG2 GLU 28 2HG GLU 28 6.198 4.228 -17.555 217 HG3 GLU 28 3HG GLU 28 7.562 5.081 -18.279 218 HA PRO 29 HA PRO 29 1.924 5.640 -14.532 219 HB2 PRO 29 2HB PRO 29 0.350 3.997 -16.012 220 HB3 PRO 29 3HB PRO 29 0.305 5.758 -16.159 221 HG2 PRO 29 2HG PRO 29 1.705 3.750 -17.881 222 HG3 PRO 29 3HG PRO 29 0.774 5.181 -18.361 223 HD2 PRO 29 2HD PRO 29 3.482 5.160 -18.293 224 HD3 PRO 29 3HD PRO 29 2.528 6.617 -17.945 225 H GLY 30 H GLY 30 2.153 4.192 -12.949 226 HA2 GLY 30 2HA GLY 30 2.040 1.921 -12.171 227 HA3 GLY 30 3HA GLY 30 2.817 1.413 -13.663 228 H LYS 31 H LYS 31 4.041 4.201 -12.031 229 HA LYS 31 HA LYS 31 6.103 2.658 -10.660 230 HB2 LYS 31 2HB LYS 31 7.262 2.935 -12.669 231 HB3 LYS 31 3HB LYS 31 6.583 4.533 -12.954 232 HG2 LYS 31 2HG LYS 31 7.985 5.516 -11.311 233 HG3 LYS 31 3HG LYS 31 8.512 3.935 -10.726 234 HD2 LYS 31 2HD LYS 31 9.115 3.896 -13.435 235 HD3 LYS 31 3HD LYS 31 9.528 5.535 -12.923 236 HE2 LYS 31 2HE LYS 31 10.520 2.953 -11.721 237 HE3 LYS 31 3HE LYS 31 11.455 4.104 -12.675 238 HZ1 LYS 31 3HZ LYS 31 10.318 5.505 -10.554 239 HZ2 LYS 31 1HZ LYS 31 11.955 5.152 -10.807 240 HZ3 LYS 31 2HZ LYS 31 10.990 4.097 -9.902 241 H GLU 32 H GLU 32 6.476 3.492 -8.714 242 HA GLU 32 HA GLU 32 5.138 5.601 -7.598 243 HB2 GLU 32 2HB GLU 32 7.247 3.864 -6.821 244 HB3 GLU 32 3HB GLU 32 7.723 5.498 -6.383 245 HG2 GLU 32 2HG GLU 32 5.194 4.089 -5.565 246 HG3 GLU 32 3HG GLU 32 6.586 4.438 -4.542 247 H TYR 33 H TYR 33 5.953 7.699 -6.811 248 HA TYR 33 HA TYR 33 8.027 8.917 -8.469 249 HB2 TYR 33 2HB TYR 33 5.149 9.793 -8.367 250 HB3 TYR 33 3HB TYR 33 6.439 10.916 -8.785 251 HD1 TYR 33 HD1 TYR 33 7.982 10.233 -10.745 252 HD2 TYR 33 HD2 TYR 33 4.178 8.470 -10.019 253 HE1 TYR 33 HE1 TYR 33 7.896 9.468 -13.081 254 HE2 TYR 33 HE2 TYR 33 4.083 7.699 -12.352 255 HH TYR 33 HH TYR 33 5.022 7.924 -14.405 256 H ASN 34 H ASN 34 9.395 9.826 -7.096 257 HA ASN 34 HA ASN 34 8.553 10.604 -4.443 258 HB2 ASN 34 2HB ASN 34 11.137 10.213 -5.846 259 HB3 ASN 34 3HB ASN 34 11.129 11.394 -4.538 260 HD21 ASN 34 1HD2 ASN 34 10.521 8.048 -5.371 261 HD22 ASN 34 2HD2 ASN 34 10.705 7.418 -3.773 262 H GLN 35 H GLN 35 9.390 12.740 -3.567 263 HA GLN 35 HA GLN 35 8.162 14.852 -4.966 264 HB2 GLN 35 2HB GLN 35 8.796 16.237 -3.172 265 HB3 GLN 35 3HB GLN 35 8.569 14.648 -2.454 266 HG2 GLN 35 2HG GLN 35 10.985 14.283 -2.498 267 HG3 GLN 35 3HG GLN 35 11.209 15.879 -3.211 268 HE21 GLN 35 1HE2 GLN 35 9.594 14.371 -0.434 269 HE22 GLN 35 2HE2 GLN 35 10.041 15.590 0.705 270 H GLY 36 H GLY 36 8.922 16.372 -6.335 271 HA2 GLY 36 2HA GLY 36 10.620 17.758 -7.264 272 HA3 GLY 36 3HA GLY 36 11.822 16.592 -6.733 273 H ASP 37 H ASP 37 10.038 14.396 -7.821 274 HA ASP 37 HA ASP 37 11.326 14.012 -10.261 275 HB2 ASP 37 2HB ASP 37 8.820 12.828 -9.082 276 HB3 ASP 37 3HB ASP 37 9.407 12.345 -10.671 277 H ILE 38 H ILE 38 10.900 14.551 -12.330 278 HA ILE 38 HA ILE 38 8.390 15.986 -12.887 279 HB ILE 38 HB ILE 38 11.136 16.730 -13.900 280 HG12 ILE 38 2HG1 ILE 38 9.679 18.842 -12.599 281 HG13 ILE 38 3HG1 ILE 38 9.767 17.444 -11.533 282 HG21 ILE 38 1HG2 ILE 38 9.433 18.766 -14.580 283 HG22 ILE 38 2HG2 ILE 38 10.015 17.508 -15.670 284 HG23 ILE 38 3HG2 ILE 38 8.453 17.330 -14.872 285 HD11 ILE 38 3HD1 ILE 38 12.160 18.655 -12.886 286 HD12 ILE 38 1HD1 ILE 38 11.611 19.104 -11.272 287 HD13 ILE 38 2HD1 ILE 38 12.140 17.452 -11.597 288 H VAL 39 H VAL 39 7.365 15.466 -14.747 289 HA VAL 39 HA VAL 39 8.773 13.824 -16.727 290 HB VAL 39 HB VAL 39 7.034 12.197 -16.864 291 HG11 VAL 39 1HG1 VAL 39 7.061 11.228 -14.568 292 HG12 VAL 39 2HG1 VAL 39 8.652 11.704 -15.166 293 HG13 VAL 39 3HG1 VAL 39 7.806 12.722 -13.998 294 HG21 VAL 39 3HG2 VAL 39 5.525 14.178 -15.282 295 HG22 VAL 39 1HG2 VAL 39 4.976 13.071 -16.540 296 HG23 VAL 39 2HG2 VAL 39 5.220 12.485 -14.895 297 H GLU 40 H GLU 40 7.562 13.641 -18.782 298 HA GLU 40 HA GLU 40 6.107 16.139 -19.314 299 HB2 GLU 40 2HB GLU 40 8.141 15.887 -20.616 300 HB3 GLU 40 3HB GLU 40 7.620 14.304 -21.179 301 HG2 GLU 40 2HG GLU 40 5.777 16.532 -21.732 302 HG3 GLU 40 3HG GLU 40 7.320 16.572 -22.583 303 H TYR 41 H TYR 41 3.976 15.846 -19.223 304 HA TYR 41 HA TYR 41 2.844 13.493 -20.589 305 HB2 TYR 41 2HB TYR 41 2.453 13.150 -18.266 306 HB3 TYR 41 3HB TYR 41 1.963 14.824 -18.029 307 HD1 TYR 41 HD2 TYR 41 -0.228 15.600 -18.957 308 HD2 TYR 41 HD1 TYR 41 0.892 11.495 -18.937 309 HE1 TYR 41 HE2 TYR 41 -2.580 14.963 -19.294 310 HE2 TYR 41 HE1 TYR 41 -1.456 10.847 -19.277 311 HH TYR 41 HH TYR 41 -3.887 12.341 -18.645 312 H ASN 42 H ASN 42 1.494 13.928 -22.204 313 HA ASN 42 HA ASN 42 0.232 15.084 -23.704 314 HB2 ASN 42 2HB ASN 42 -1.295 15.070 -21.699 315 HB3 ASN 42 3HB ASN 42 -0.700 16.682 -21.314 316 HD21 ASN 42 1HD2 ASN 42 -2.874 17.400 -21.523 317 HD22 ASN 42 2HD2 ASN 42 -3.552 17.699 -23.084 318 H GLY 43 H GLY 43 2.914 16.022 -23.225 319 HA2 GLY 43 2HA GLY 43 4.212 17.735 -24.062 320 HA3 GLY 43 3HA GLY 43 2.736 18.534 -24.580 321 H LYS 44 H LYS 44 2.874 17.642 -21.278 322 HA LYS 44 HA LYS 44 3.543 20.418 -20.545 323 HB2 LYS 44 2HB LYS 44 1.370 18.601 -19.563 324 HB3 LYS 44 3HB LYS 44 2.017 19.843 -18.500 325 HG2 LYS 44 2HG LYS 44 1.127 21.552 -19.719 326 HG3 LYS 44 3HG LYS 44 1.168 20.642 -21.231 327 HD2 LYS 44 2HD LYS 44 -0.580 19.260 -19.511 328 HD3 LYS 44 3HD LYS 44 -0.989 20.972 -19.371 329 HE2 LYS 44 2HE LYS 44 -0.681 20.720 -22.057 330 HE3 LYS 44 3HE LYS 44 -1.304 19.124 -21.636 331 HZ1 LYS 44 3HZ LYS 44 -3.100 20.634 -22.155 332 HZ2 LYS 44 1HZ LYS 44 -2.579 21.723 -20.969 333 HZ3 LYS 44 2HZ LYS 44 -3.169 20.203 -20.521 334 H LEU 45 H LEU 45 4.743 20.748 -18.666 335 HA LEU 45 HA LEU 45 6.153 18.357 -17.696 336 HB2 LEU 45 2HB LEU 45 6.945 21.194 -18.107 337 HB3 LEU 45 3HB LEU 45 7.728 20.288 -16.815 338 HG LEU 45 HG LEU 45 7.740 19.572 -19.747 339 HD11 LEU 45 1HD1 LEU 45 10.263 20.093 -18.369 340 HD12 LEU 45 2HD1 LEU 45 9.208 21.502 -18.492 341 HD13 LEU 45 3HD1 LEU 45 9.696 20.635 -19.948 342 HD21 LEU 45 3HD2 LEU 45 7.796 17.550 -18.503 343 HD22 LEU 45 1HD2 LEU 45 8.932 18.222 -17.334 344 HD23 LEU 45 2HD2 LEU 45 9.456 17.899 -18.988 345 H TYR 46 H TYR 46 5.379 17.637 -15.827 346 HA TYR 46 HA TYR 46 4.502 19.605 -13.817 347 HB2 TYR 46 2HB TYR 46 3.648 16.727 -14.193 348 HB3 TYR 46 3HB TYR 46 3.132 17.761 -12.865 349 HD1 TYR 46 HD2 TYR 46 1.710 19.758 -13.347 350 HD2 TYR 46 HD1 TYR 46 2.621 16.864 -16.330 351 HE1 TYR 46 HE2 TYR 46 -0.161 20.585 -14.713 352 HE2 TYR 46 HE1 TYR 46 0.754 17.684 -17.705 353 HH TYR 46 HH TYR 46 -1.415 18.907 -17.324 354 H LYS 47 H LYS 47 4.972 19.146 -11.593 355 HA LYS 47 HA LYS 47 7.212 17.288 -11.172 356 HB2 LYS 47 2HB LYS 47 8.250 19.430 -11.315 357 HB3 LYS 47 3HB LYS 47 7.016 20.168 -10.301 358 HG2 LYS 47 2HG LYS 47 7.958 19.433 -8.375 359 HG3 LYS 47 3HG LYS 47 8.587 17.959 -9.114 360 HD2 LYS 47 2HD LYS 47 10.583 18.953 -9.122 361 HD3 LYS 47 3HD LYS 47 9.958 19.999 -10.399 362 HE2 LYS 47 2HE LYS 47 10.504 21.652 -8.974 363 HE3 LYS 47 3HE LYS 47 8.972 21.238 -8.206 364 HZ1 LYS 47 3HZ LYS 47 10.168 19.795 -6.681 365 HZ2 LYS 47 1HZ LYS 47 10.763 21.376 -6.592 366 HZ3 LYS 47 2HZ LYS 47 11.638 20.189 -7.421 367 H ALA 48 H ALA 48 6.735 15.862 -9.648 368 HA ALA 48 HA ALA 48 4.430 16.003 -8.039 369 HB1 ALA 48 1HB ALA 48 4.882 13.848 -7.779 370 HB2 ALA 48 2HB ALA 48 6.407 14.086 -8.634 371 HB3 ALA 48 3HB ALA 48 6.349 14.234 -6.877 372 H LYS 49 H LYS 49 4.093 17.316 -6.379 373 HA LYS 49 HA LYS 49 6.057 18.824 -5.079 374 HB2 LYS 49 2HB LYS 49 3.401 18.070 -3.867 375 HB3 LYS 49 3HB LYS 49 4.342 19.527 -3.582 376 HG2 LYS 49 2HG LYS 49 3.978 19.998 -6.084 377 HG3 LYS 49 3HG LYS 49 2.701 18.785 -5.971 378 HD2 LYS 49 2HD LYS 49 1.334 20.161 -4.839 379 HD3 LYS 49 3HD LYS 49 2.643 20.786 -3.833 380 HE2 LYS 49 2HE LYS 49 3.377 22.056 -5.945 381 HE3 LYS 49 3HE LYS 49 1.767 21.684 -6.559 382 HZ1 LYS 49 3HZ LYS 49 1.761 23.833 -5.520 383 HZ2 LYS 49 1HZ LYS 49 2.404 23.201 -4.088 384 HZ3 LYS 49 2HZ LYS 49 0.843 22.772 -4.575 385 H TYR 50 H TYR 50 4.399 15.855 -4.049 386 HA TYR 50 HA TYR 50 6.688 15.212 -2.360 387 HB2 TYR 50 2HB TYR 50 5.404 14.828 -0.386 388 HB3 TYR 50 3HB TYR 50 4.976 16.436 -0.961 389 HD1 TYR 50 HD1 TYR 50 2.908 16.361 -2.716 390 HD2 TYR 50 HD2 TYR 50 3.663 13.531 0.370 391 HE1 TYR 50 HE1 TYR 50 0.529 15.733 -2.719 392 HE2 TYR 50 HE2 TYR 50 1.288 12.894 0.375 393 HH TYR 50 HH TYR 50 -0.642 12.966 -1.119 394 H TRP 51 H TRP 51 6.276 12.948 -1.329 395 HA TRP 51 HA TRP 51 6.184 11.054 -3.324 396 HB2 TRP 51 2HB TRP 51 6.756 10.974 -0.688 397 HB3 TRP 51 3HB TRP 51 5.189 10.170 -0.676 398 HD1 TRP 51 HD1 TRP 51 8.618 9.820 -2.454 399 HE1 TRP 51 HE1 TRP 51 9.016 7.321 -2.922 400 HE3 TRP 51 HE3 TRP 51 4.161 7.963 -0.775 401 HZ2 TRP 51 HZ2 TRP 51 7.624 4.884 -2.620 402 HZ3 TRP 51 HZ3 TRP 51 3.774 5.535 -0.900 403 HH2 TRP 51 HH2 TRP 51 5.469 4.030 -1.804 404 H THR 52 H THR 52 4.592 10.515 -4.650 405 HA THR 52 HA THR 52 2.008 9.764 -3.646 406 HB THR 52 HB THR 52 2.039 12.036 -5.630 407 HG1 THR 52 HG1 THR 52 1.178 13.165 -3.623 408 HG21 THR 52 3HG2 THR 52 -0.362 12.061 -4.337 409 HG22 THR 52 1HG2 THR 52 -0.003 10.335 -4.385 410 HG23 THR 52 2HG2 THR 52 -0.061 11.266 -5.882 411 H THR 53 H THR 53 0.690 8.729 -5.243 412 HA THR 53 HA THR 53 2.098 8.077 -7.746 413 HB THR 53 HB THR 53 0.483 5.856 -6.952 414 HG1 THR 53 HG1 THR 53 2.203 6.919 -4.971 415 HG21 THR 53 3HG2 THR 53 3.262 6.437 -7.738 416 HG22 THR 53 1HG2 THR 53 2.165 5.177 -8.300 417 HG23 THR 53 2HG2 THR 53 3.036 4.974 -6.780 418 H SER 54 H SER 54 0.897 8.999 -9.285 419 HA SER 54 HA SER 54 -1.591 8.052 -10.049 420 HB2 SER 54 2HB SER 54 -1.757 10.002 -7.923 421 HB3 SER 54 3HB SER 54 -2.543 10.611 -9.380 422 HG SER 54 HG SER 54 -4.015 9.411 -8.170 423 HA PRO 55 HA PRO 55 -0.441 10.293 -13.647 424 HB2 PRO 55 2HB PRO 55 -2.837 10.472 -14.908 425 HB3 PRO 55 3HB PRO 55 -1.925 8.962 -14.789 426 HG2 PRO 55 2HG PRO 55 -4.241 9.909 -13.146 427 HG3 PRO 55 3HG PRO 55 -3.932 8.298 -13.822 428 HD2 PRO 55 2HD PRO 55 -3.446 8.908 -11.228 429 HD3 PRO 55 3HD PRO 55 -2.470 7.732 -12.131 430 HA PRO 56 HA PRO 56 -1.185 14.585 -12.980 431 HB2 PRO 56 2HB PRO 56 -0.643 15.543 -15.461 432 HB3 PRO 56 3HB PRO 56 0.613 14.968 -14.359 433 HG2 PRO 56 2HG PRO 56 -0.683 13.553 -16.657 434 HG3 PRO 56 3HG PRO 56 1.029 13.602 -16.193 435 HD2 PRO 56 2HD PRO 56 -0.579 11.503 -15.612 436 HD3 PRO 56 3HD PRO 56 0.762 11.999 -14.560 437 H SER 57 H SER 57 -2.952 15.833 -12.933 438 HA SER 57 HA SER 57 -4.645 16.415 -15.061 439 HB2 SER 57 2HB SER 57 -5.199 13.856 -13.810 440 HB3 SER 57 3HB SER 57 -6.576 14.949 -13.670 441 HG SER 57 HG SER 57 -6.182 13.547 -15.692 442 H ASP 58 H ASP 58 -5.398 15.473 -11.707 443 HA ASP 58 HA ASP 58 -5.789 18.295 -11.036 444 HB2 ASP 58 2HB ASP 58 -7.909 17.539 -9.773 445 HB3 ASP 58 3HB ASP 58 -8.016 17.751 -11.519 446 H ASP 59 H ASP 59 -4.603 18.706 -9.304 447 HA ASP 59 HA ASP 59 -4.154 16.547 -7.354 448 HB2 ASP 59 2HB ASP 59 -2.229 18.257 -6.686 449 HB3 ASP 59 3HB ASP 59 -2.016 17.085 -7.984 450 HA PRO 60 HA PRO 60 -6.864 19.546 -5.149 451 HB2 PRO 60 2HB PRO 60 -8.194 17.638 -3.749 452 HB3 PRO 60 3HB PRO 60 -8.653 18.122 -5.385 453 HG2 PRO 60 2HG PRO 60 -7.054 15.754 -4.488 454 HG3 PRO 60 3HG PRO 60 -8.335 15.841 -5.712 455 HD2 PRO 60 2HD PRO 60 -5.705 15.804 -6.356 456 HD3 PRO 60 3HD PRO 60 -6.913 16.674 -7.323 457 H TYR 61 H TYR 61 -4.537 17.204 -4.261 458 HA TYR 61 HA TYR 61 -4.483 18.226 -1.498 459 HB2 TYR 61 2HB TYR 61 -2.895 16.020 -1.413 460 HB3 TYR 61 3HB TYR 61 -4.613 16.017 -1.030 461 HD1 TYR 61 HD2 TYR 61 -2.335 15.665 -3.973 462 HD2 TYR 61 HD1 TYR 61 -5.972 14.488 -2.106 463 HE1 TYR 61 HE2 TYR 61 -2.726 14.037 -5.774 464 HE2 TYR 61 HE1 TYR 61 -6.372 12.855 -3.901 465 HH TYR 61 HH TYR 61 -4.572 11.554 -5.639 466 H GLY 62 H GLY 62 -2.992 18.523 -4.429 467 HA2 GLY 62 2HA GLY 62 -1.106 19.776 -4.950 468 HA3 GLY 62 3HA GLY 62 -0.698 19.819 -3.242 469 H SER 63 H SER 63 -1.168 17.132 -5.531 470 HA SER 63 HA SER 63 1.294 15.922 -4.549 471 HB2 SER 63 2HB SER 63 0.570 13.914 -5.656 472 HB3 SER 63 3HB SER 63 -0.826 14.591 -4.819 473 HG SER 63 HG SER 63 -1.559 15.407 -6.785 474 H TRP 64 H TRP 64 0.258 17.863 -7.118 475 HA TRP 64 HA TRP 64 2.792 17.390 -8.516 476 HB2 TRP 64 2HB TRP 64 0.035 17.301 -9.702 477 HB3 TRP 64 3HB TRP 64 1.404 17.818 -10.683 478 HD1 TRP 64 HD1 TRP 64 -0.336 14.756 -9.456 479 HE1 TRP 64 HE1 TRP 64 0.958 12.654 -10.185 480 HE3 TRP 64 HE3 TRP 64 3.988 16.974 -11.041 481 HZ2 TRP 64 HZ2 TRP 64 3.478 12.020 -11.286 482 HZ3 TRP 64 HZ3 TRP 64 5.792 15.549 -11.918 483 HH2 TRP 64 HH2 TRP 64 5.540 13.124 -12.036 484 H GLU 65 H GLU 65 3.426 19.183 -9.922 485 HA GLU 65 HA GLU 65 2.065 21.717 -9.451 486 HB2 GLU 65 2HB GLU 65 3.918 21.210 -7.678 487 HB3 GLU 65 3HB GLU 65 5.024 21.618 -8.983 488 HG2 GLU 65 2HG GLU 65 3.775 23.791 -9.209 489 HG3 GLU 65 3HG GLU 65 2.947 23.374 -7.710 490 H TYR 66 H TYR 66 1.778 22.521 -11.416 491 HA TYR 66 HA TYR 66 3.327 21.741 -13.667 492 HB2 TYR 66 2HB TYR 66 1.084 22.320 -14.117 493 HB3 TYR 66 3HB TYR 66 1.206 23.835 -13.227 494 HD1 TYR 66 HD2 TYR 66 2.272 25.786 -14.236 495 HD2 TYR 66 HD1 TYR 66 1.879 22.140 -16.394 496 HE1 TYR 66 HE2 TYR 66 2.774 26.976 -16.329 497 HE2 TYR 66 HE1 TYR 66 2.382 23.321 -18.493 498 HH TYR 66 HH TYR 66 2.578 26.790 -18.648 499 H LEU 67 H LEU 67 5.348 22.374 -14.000 500 HA LEU 67 HA LEU 67 6.188 25.037 -13.105 501 HB2 LEU 67 2HB LEU 67 8.032 22.931 -14.163 502 HB3 LEU 67 3HB LEU 67 8.383 24.260 -13.061 503 HG LEU 67 HG LEU 67 6.827 21.763 -12.390 504 HD11 LEU 67 1HD1 LEU 67 8.957 20.976 -12.369 505 HD12 LEU 67 2HD1 LEU 67 8.920 21.693 -10.758 506 HD13 LEU 67 3HD1 LEU 67 9.664 22.568 -12.096 507 HD21 LEU 67 3HD2 LEU 67 7.455 22.900 -10.027 508 HD22 LEU 67 1HD2 LEU 67 5.918 23.141 -10.858 509 HD23 LEU 67 2HD2 LEU 67 7.201 24.340 -11.015 510 H GLY 68 H GLY 68 5.193 23.431 -15.872 511 HA2 GLY 68 2HA GLY 68 5.277 25.480 -17.629 512 HA3 GLY 68 3HA GLY 68 6.905 24.827 -17.741 513 H GLU 69 H GLU 69 5.977 24.629 -20.035 514 HA GLU 69 HA GLU 69 4.683 21.994 -20.299 515 HB2 GLU 69 2HB GLU 69 4.041 24.554 -21.497 516 HB3 GLU 69 3HB GLU 69 4.351 23.337 -22.727 517 HG2 GLU 69 2HG GLU 69 2.703 21.862 -21.614 518 HG3 GLU 69 3HG GLU 69 2.339 23.174 -20.496 519 H ALA 70 H ALA 70 5.405 20.622 -21.966 520 HA ALA 70 HA ALA 70 8.134 20.430 -22.334 521 HB1 ALA 70 1HB ALA 70 5.860 19.317 -23.956 522 HB2 ALA 70 2HB ALA 70 7.548 18.910 -24.269 523 HB3 ALA 70 3HB ALA 70 6.817 18.507 -22.715 524 H GLU 71 H GLU 71 5.761 21.541 -24.761 525 HA GLU 71 HA GLU 71 7.927 23.104 -26.006 526 HB2 GLU 71 2HB GLU 71 6.156 21.113 -27.161 527 HB3 GLU 71 3HB GLU 71 6.028 22.654 -27.995 528 HG2 GLU 71 2HG GLU 71 8.750 22.295 -27.688 529 HG3 GLU 71 3HG GLU 71 8.144 20.682 -28.057 530 HA PRO 72 HA PRO 72 4.992 26.313 -24.825 531 HB2 PRO 72 2HB PRO 72 6.736 28.357 -25.212 532 HB3 PRO 72 3HB PRO 72 6.736 27.357 -23.755 533 HG2 PRO 72 2HG PRO 72 8.494 27.183 -26.171 534 HG3 PRO 72 3HG PRO 72 8.931 27.048 -24.457 535 HD2 PRO 72 2HD PRO 72 8.630 24.886 -26.058 536 HD3 PRO 72 3HD PRO 72 8.245 24.852 -24.326 537 H THR 73 H THR 73 3.912 27.973 -25.956 538 HA THR 73 HA THR 73 4.465 28.067 -28.851 539 HB THR 73 HB THR 73 1.706 28.673 -28.228 540 HG1 THR 73 HG1 THR 73 1.148 26.963 -27.094 541 HG21 THR 73 3HG2 THR 73 2.887 26.416 -29.847 542 HG22 THR 73 1HG2 THR 73 2.684 28.062 -30.447 543 HG23 THR 73 2HG2 THR 73 1.272 27.106 -29.997 Start of MODEL 3 1 H1 GLY 1 H GLY 1 36.330 7.973 -1.714 2 HA2 GLY 1 2HA GLY 1 37.868 8.379 -4.087 3 HA3 GLY 1 3HA GLY 1 36.784 7.005 -4.251 4 HA PRO 2 HA PRO 2 34.525 10.874 -5.501 5 HB2 PRO 2 2HB PRO 2 33.605 9.873 -7.851 6 HB3 PRO 2 3HB PRO 2 35.176 10.668 -7.694 7 HG2 PRO 2 2HG PRO 2 34.527 7.745 -7.748 8 HG3 PRO 2 3HG PRO 2 35.844 8.614 -8.558 9 HD2 PRO 2 2HD PRO 2 36.213 7.219 -6.268 10 HD3 PRO 2 3HD PRO 2 37.140 8.683 -6.654 11 H SER 3 H SER 3 32.219 11.138 -5.818 12 HA SER 3 HA SER 3 30.415 8.949 -5.711 13 HB2 SER 3 2HB SER 3 29.559 9.249 -3.440 14 HB3 SER 3 3HB SER 3 31.269 8.825 -3.393 15 HG SER 3 HG SER 3 31.687 11.108 -3.175 16 H THR 4 H THR 4 28.394 9.585 -6.263 17 HA THR 4 HA THR 4 27.293 12.134 -5.735 18 HB THR 4 HB THR 4 28.906 12.916 -7.394 19 HG1 THR 4 HG1 THR 4 27.161 13.574 -9.026 20 HG21 THR 4 3HG2 THR 4 27.754 11.722 -9.748 21 HG22 THR 4 1HG2 THR 4 28.363 10.474 -8.661 22 HG23 THR 4 2HG2 THR 4 29.436 11.755 -9.222 23 H SER 5 H SER 5 25.147 11.949 -5.843 24 HA SER 5 HA SER 5 24.006 9.900 -7.624 25 HB2 SER 5 2HB SER 5 23.862 10.077 -4.737 26 HB3 SER 5 3HB SER 5 22.251 10.136 -5.452 27 HG SER 5 HG SER 5 23.212 7.984 -4.987 28 H MET 6 H MET 6 21.416 10.267 -7.473 29 HA MET 6 HA MET 6 21.050 12.998 -8.446 30 HB2 MET 6 2HB MET 6 19.125 12.216 -9.588 31 HB3 MET 6 3HB MET 6 20.354 10.975 -9.803 32 HG2 MET 6 2HG MET 6 18.973 10.269 -7.480 33 HG3 MET 6 3HG MET 6 17.743 10.782 -8.632 34 HE1 MET 6 3HE MET 6 17.493 6.986 -8.799 35 HE2 MET 6 1HE MET 6 18.679 7.324 -7.540 36 HE3 MET 6 2HE MET 6 17.255 8.351 -7.707 37 H GLU 7 H GLU 7 18.473 13.548 -8.091 38 HA GLU 7 HA GLU 7 18.015 13.360 -5.188 39 HB2 GLU 7 2HB GLU 7 17.103 15.680 -5.294 40 HB3 GLU 7 3HB GLU 7 18.828 15.578 -5.616 41 HG2 GLU 7 2HG GLU 7 17.544 15.350 -8.103 42 HG3 GLU 7 3HG GLU 7 16.743 16.662 -7.241 43 H ASN 8 H ASN 8 16.880 12.516 -8.126 44 HA ASN 8 HA ASN 8 14.212 12.063 -7.104 45 HB2 ASN 8 2HB ASN 8 14.634 13.693 -9.619 46 HB3 ASN 8 3HB ASN 8 13.082 13.105 -9.030 47 HD21 ASN 8 1HD2 ASN 8 12.570 13.776 -6.742 48 HD22 ASN 8 2HD2 ASN 8 12.937 15.411 -6.316 49 H LEU 9 H LEU 9 13.773 10.021 -7.573 50 HA LEU 9 HA LEU 9 15.273 8.404 -9.270 51 HB2 LEU 9 2HB LEU 9 13.977 7.402 -7.555 52 HB3 LEU 9 3HB LEU 9 12.487 8.107 -8.179 53 HG LEU 9 HG LEU 9 12.616 6.628 -10.133 54 HD11 LEU 9 1HD1 LEU 9 15.024 6.367 -10.272 55 HD12 LEU 9 2HD1 LEU 9 14.241 4.791 -10.159 56 HD13 LEU 9 3HD1 LEU 9 15.036 5.484 -8.745 57 HD21 LEU 9 3HD2 LEU 9 12.499 4.419 -8.696 58 HD22 LEU 9 1HD2 LEU 9 11.252 5.660 -8.578 59 HD23 LEU 9 2HD2 LEU 9 12.521 5.566 -7.357 60 H VAL 10 H VAL 10 12.703 10.578 -9.982 61 HA VAL 10 HA VAL 10 11.570 9.537 -12.271 62 HB VAL 10 HB VAL 10 10.931 11.685 -11.114 63 HG11 VAL 10 1HG1 VAL 10 13.350 12.544 -11.263 64 HG12 VAL 10 2HG1 VAL 10 12.929 13.018 -12.909 65 HG13 VAL 10 3HG1 VAL 10 12.040 13.691 -11.542 66 HG21 VAL 10 3HG2 VAL 10 11.232 12.094 -14.072 67 HG22 VAL 10 1HG2 VAL 10 10.153 10.865 -13.413 68 HG23 VAL 10 2HG2 VAL 10 9.897 12.565 -13.020 69 H SER 11 H SER 11 14.732 10.935 -11.828 70 HA SER 11 HA SER 11 15.303 11.328 -14.596 71 HB2 SER 11 2HB SER 11 16.474 12.208 -12.329 72 HB3 SER 11 3HB SER 11 17.557 10.872 -12.724 73 HG SER 11 HG SER 11 17.039 13.234 -14.140 74 H LEU 12 H LEU 12 15.901 8.733 -12.281 75 HA LEU 12 HA LEU 12 17.198 7.129 -14.351 76 HB2 LEU 12 2HB LEU 12 17.842 7.408 -11.782 77 HB3 LEU 12 3HB LEU 12 16.716 6.062 -11.625 78 HG LEU 12 HG LEU 12 18.505 5.421 -13.723 79 HD11 LEU 12 1HD1 LEU 12 19.801 6.679 -11.336 80 HD12 LEU 12 2HD1 LEU 12 20.179 6.879 -13.046 81 HD13 LEU 12 3HD1 LEU 12 20.598 5.379 -12.220 82 HD21 LEU 12 3HD2 LEU 12 18.962 3.517 -12.389 83 HD22 LEU 12 1HD2 LEU 12 17.276 3.943 -12.092 84 HD23 LEU 12 2HD2 LEU 12 18.513 4.360 -10.906 85 H GLN 13 H GLN 13 14.302 7.786 -14.350 86 HA GLN 13 HA GLN 13 13.063 5.189 -13.861 87 HB2 GLN 13 2HB GLN 13 12.091 7.961 -14.246 88 HB3 GLN 13 3HB GLN 13 11.049 6.680 -14.851 89 HG2 GLN 13 2HG GLN 13 11.204 5.624 -12.579 90 HG3 GLN 13 3HG GLN 13 12.004 7.098 -12.033 91 HE21 GLN 13 1HE2 GLN 13 10.470 7.838 -10.667 92 HE22 GLN 13 2HE2 GLN 13 8.880 8.309 -11.154 93 H ASN 14 H ASN 14 14.992 5.938 -16.121 94 HA ASN 14 HA ASN 14 13.942 4.251 -18.084 95 HB2 ASN 14 2HB ASN 14 13.745 6.175 -19.870 96 HB3 ASN 14 3HB ASN 14 12.370 5.764 -18.848 97 HD21 ASN 14 1HD2 ASN 14 11.568 7.251 -17.481 98 HD22 ASN 14 2HD2 ASN 14 12.196 8.850 -17.300 99 H LEU 15 H LEU 15 15.775 7.315 -18.051 100 HA LEU 15 HA LEU 15 18.047 5.846 -19.218 101 HB2 LEU 15 2HB LEU 15 17.016 8.612 -19.723 102 HB3 LEU 15 3HB LEU 15 18.701 8.207 -20.039 103 HG LEU 15 HG LEU 15 17.150 6.234 -21.320 104 HD11 LEU 15 1HD1 LEU 15 16.078 9.017 -21.697 105 HD12 LEU 15 2HD1 LEU 15 15.190 7.556 -21.266 106 HD13 LEU 15 3HD1 LEU 15 15.865 7.732 -22.885 107 HD21 LEU 15 3HD2 LEU 15 19.194 6.806 -22.257 108 HD22 LEU 15 1HD2 LEU 15 18.861 8.536 -22.174 109 HD23 LEU 15 2HD2 LEU 15 18.035 7.536 -23.369 110 H LEU 16 H LEU 16 20.184 6.995 -18.787 111 HA LEU 16 HA LEU 16 20.215 8.044 -16.034 112 HB2 LEU 16 2HB LEU 16 22.213 6.199 -17.337 113 HB3 LEU 16 3HB LEU 16 22.384 6.913 -15.734 114 HG LEU 16 HG LEU 16 19.998 5.650 -15.477 115 HD11 LEU 16 1HD1 LEU 16 20.470 4.730 -17.844 116 HD12 LEU 16 2HD1 LEU 16 19.922 3.619 -16.590 117 HD13 LEU 16 3HD1 LEU 16 21.629 3.678 -17.030 118 HD21 LEU 16 3HD2 LEU 16 22.116 5.587 -14.068 119 HD22 LEU 16 1HD2 LEU 16 22.608 4.217 -15.065 120 HD23 LEU 16 2HD2 LEU 16 21.134 4.121 -14.099 121 H VAL 17 H VAL 17 20.010 9.937 -17.808 122 HA VAL 17 HA VAL 17 22.687 10.803 -18.621 123 HB VAL 17 HB VAL 17 21.532 12.578 -19.879 124 HG11 VAL 17 1HG1 VAL 17 21.723 9.935 -20.517 125 HG12 VAL 17 2HG1 VAL 17 20.009 10.252 -20.795 126 HG13 VAL 17 3HG1 VAL 17 21.231 11.211 -21.631 127 HG21 VAL 17 3HG2 VAL 17 19.516 13.199 -19.151 128 HG22 VAL 17 1HG2 VAL 17 18.890 11.772 -19.977 129 HG23 VAL 17 2HG2 VAL 17 19.289 11.694 -18.260 130 H TYR 18 H TYR 18 23.216 13.132 -18.307 131 HA TYR 18 HA TYR 18 22.316 14.018 -15.646 132 HB2 TYR 18 2HB TYR 18 24.923 13.581 -16.681 133 HB3 TYR 18 3HB TYR 18 24.742 15.314 -16.436 134 HD1 TYR 18 HD2 TYR 18 24.664 12.027 -14.764 135 HD2 TYR 18 HD1 TYR 18 24.653 16.249 -14.242 136 HE1 TYR 18 HE2 TYR 18 25.084 11.725 -12.360 137 HE2 TYR 18 HE1 TYR 18 25.073 15.959 -11.836 138 HH TYR 18 HH TYR 18 24.915 12.852 -10.305 139 H VAL 19 H VAL 19 23.965 15.608 -18.371 140 HA VAL 19 HA VAL 19 22.194 17.911 -18.037 141 HB VAL 19 HB VAL 19 24.599 18.360 -18.113 142 HG11 VAL 19 1HG1 VAL 19 25.879 18.010 -20.160 143 HG12 VAL 19 2HG1 VAL 19 25.264 16.481 -19.533 144 HG13 VAL 19 3HG1 VAL 19 24.481 17.247 -20.915 145 HG21 VAL 19 3HG2 VAL 19 23.199 20.130 -18.870 146 HG22 VAL 19 1HG2 VAL 19 24.562 20.035 -19.985 147 HG23 VAL 19 2HG2 VAL 19 22.994 19.377 -20.451 148 H ASN 20 H ASN 20 23.078 15.447 -20.373 149 HA ASN 20 HA ASN 20 21.585 16.603 -22.532 150 HB2 ASN 20 2HB ASN 20 22.912 13.934 -22.100 151 HB3 ASN 20 3HB ASN 20 21.932 14.251 -23.528 152 HD21 ASN 20 1HD2 ASN 20 22.543 16.174 -24.803 153 HD22 ASN 20 2HD2 ASN 20 24.225 16.543 -24.956 154 H TRP 21 H TRP 21 19.666 16.858 -20.997 155 HA TRP 21 HA TRP 21 18.105 14.808 -20.048 156 HB2 TRP 21 2HB TRP 21 16.336 16.334 -19.929 157 HB3 TRP 21 3HB TRP 21 17.764 17.367 -19.900 158 HD1 TRP 21 HD1 TRP 21 14.629 16.701 -21.856 159 HE1 TRP 21 HE1 TRP 21 14.501 18.310 -23.861 160 HE3 TRP 21 HE3 TRP 21 19.371 18.605 -21.673 161 HZ2 TRP 21 HZ2 TRP 21 16.187 20.143 -25.189 162 HZ3 TRP 21 HZ3 TRP 21 20.034 20.280 -23.348 163 HH2 TRP 21 HH2 TRP 21 18.474 21.032 -25.070 164 H SER 22 H SER 22 18.375 15.994 -23.346 165 HA SER 22 HA SER 22 17.378 15.327 -25.302 166 HB2 SER 22 2HB SER 22 17.976 12.658 -24.007 167 HB3 SER 22 3HB SER 22 17.615 12.887 -25.717 168 HG SER 22 HG SER 22 19.924 13.418 -24.308 169 H SER 23 H SER 23 15.301 16.226 -24.505 170 HA SER 23 HA SER 23 13.039 16.125 -24.289 171 HB2 SER 23 2HB SER 23 13.776 13.813 -25.917 172 HB3 SER 23 3HB SER 23 12.263 13.575 -25.042 173 HG SER 23 HG SER 23 11.382 14.811 -26.479 174 H TYR 24 H TYR 24 12.591 16.237 -22.163 175 HA TYR 24 HA TYR 24 13.223 14.445 -20.170 176 HB2 TYR 24 2HB TYR 24 11.367 16.675 -20.483 177 HB3 TYR 24 3HB TYR 24 10.784 15.465 -19.347 178 HD1 TYR 24 HD2 TYR 24 14.341 16.286 -19.934 179 HD2 TYR 24 HD1 TYR 24 10.994 16.721 -17.342 180 HE1 TYR 24 HE2 TYR 24 15.814 17.212 -18.196 181 HE2 TYR 24 HE1 TYR 24 12.458 17.649 -15.597 182 HH TYR 24 HH TYR 24 14.925 17.517 -15.001 183 HA PRO 25 HA PRO 25 10.651 10.915 -20.600 184 HB2 PRO 25 2HB PRO 25 10.170 10.280 -18.005 185 HB3 PRO 25 3HB PRO 25 11.742 10.042 -18.777 186 HG2 PRO 25 2HG PRO 25 10.824 12.267 -16.997 187 HG3 PRO 25 3HG PRO 25 12.369 11.394 -16.992 188 HD2 PRO 25 2HD PRO 25 12.082 13.842 -18.114 189 HD3 PRO 25 3HD PRO 25 13.216 12.630 -18.743 190 H LYS 26 H LYS 26 8.561 10.614 -21.057 191 HA LYS 26 HA LYS 26 6.608 12.554 -20.225 192 HB2 LYS 26 2HB LYS 26 6.487 10.097 -21.966 193 HB3 LYS 26 3HB LYS 26 5.051 11.029 -21.566 194 HG2 LYS 26 2HG LYS 26 5.632 12.766 -22.903 195 HG3 LYS 26 3HG LYS 26 7.363 12.522 -22.654 196 HD2 LYS 26 2HD LYS 26 6.341 10.240 -24.000 197 HD3 LYS 26 3HD LYS 26 5.742 11.676 -24.834 198 HE2 LYS 26 2HE LYS 26 8.633 11.256 -24.098 199 HE3 LYS 26 3HE LYS 26 7.948 10.795 -25.656 200 HZ1 LYS 26 3HZ LYS 26 8.951 13.260 -24.952 201 HZ2 LYS 26 1HZ LYS 26 7.273 13.474 -25.004 202 HZ3 LYS 26 2HZ LYS 26 8.091 12.878 -26.358 203 H TYR 27 H TYR 27 4.516 11.942 -19.289 204 HA TYR 27 HA TYR 27 4.726 10.732 -16.824 205 HB2 TYR 27 2HB TYR 27 2.839 12.078 -17.119 206 HB3 TYR 27 3HB TYR 27 2.380 11.275 -18.617 207 HD1 TYR 27 HD1 TYR 27 3.109 10.007 -15.174 208 HD2 TYR 27 HD2 TYR 27 0.309 10.290 -18.365 209 HE1 TYR 27 HE1 TYR 27 1.546 8.580 -13.921 210 HE2 TYR 27 HE2 TYR 27 -1.263 8.866 -17.121 211 HH TYR 27 HH TYR 27 -0.376 7.440 -14.002 212 H GLU 28 H GLU 28 4.924 8.705 -16.154 213 HA GLU 28 HA GLU 28 4.233 6.541 -18.028 214 HB2 GLU 28 2HB GLU 28 6.664 7.024 -16.929 215 HB3 GLU 28 3HB GLU 28 5.986 5.932 -15.730 216 HG2 GLU 28 2HG GLU 28 5.372 4.580 -17.960 217 HG3 GLU 28 3HG GLU 28 6.824 5.417 -18.508 218 HA PRO 29 HA PRO 29 1.074 5.972 -14.816 219 HB2 PRO 29 2HB PRO 29 -0.587 4.538 -16.416 220 HB3 PRO 29 3HB PRO 29 -0.523 6.305 -16.434 221 HG2 PRO 29 2HG PRO 29 0.765 4.343 -18.294 222 HG3 PRO 29 3HG PRO 29 -0.073 5.860 -18.672 223 HD2 PRO 29 2HD PRO 29 2.626 5.667 -18.597 224 HD3 PRO 29 3HD PRO 29 1.762 7.152 -18.148 225 H GLY 30 H GLY 30 1.209 4.403 -13.341 226 HA2 GLY 30 2HA GLY 30 0.913 2.067 -12.779 227 HA3 GLY 30 3HA GLY 30 1.769 1.657 -14.259 228 H LYS 31 H LYS 31 2.979 4.249 -12.325 229 HA LYS 31 HA LYS 31 4.833 2.562 -10.866 230 HB2 LYS 31 2HB LYS 31 6.212 2.667 -12.719 231 HB3 LYS 31 3HB LYS 31 5.625 4.255 -13.196 232 HG2 LYS 31 2HG LYS 31 6.935 5.336 -11.549 233 HG3 LYS 31 3HG LYS 31 7.320 3.807 -10.754 234 HD2 LYS 31 2HD LYS 31 8.151 3.497 -13.406 235 HD3 LYS 31 3HD LYS 31 8.653 5.125 -12.946 236 HE2 LYS 31 2HE LYS 31 10.418 3.571 -12.423 237 HE3 LYS 31 3HE LYS 31 9.719 4.180 -10.924 238 HZ1 LYS 31 3HZ LYS 31 8.769 2.173 -10.442 239 HZ2 LYS 31 1HZ LYS 31 10.164 1.649 -11.242 240 HZ3 LYS 31 2HZ LYS 31 8.683 1.679 -12.058 241 H GLU 32 H GLU 32 5.109 3.396 -8.907 242 HA GLU 32 HA GLU 32 3.919 5.677 -7.957 243 HB2 GLU 32 2HB GLU 32 5.647 5.559 -6.093 244 HB3 GLU 32 3HB GLU 32 4.689 4.110 -6.370 245 HG2 GLU 32 2HG GLU 32 7.059 4.011 -7.967 246 HG3 GLU 32 3HG GLU 32 7.483 4.349 -6.290 247 H TYR 33 H TYR 33 4.894 7.684 -7.129 248 HA TYR 33 HA TYR 33 7.248 8.600 -8.603 249 HB2 TYR 33 2HB TYR 33 4.504 9.833 -8.735 250 HB3 TYR 33 3HB TYR 33 5.954 10.779 -9.051 251 HD1 TYR 33 HD1 TYR 33 7.499 10.010 -10.922 252 HD2 TYR 33 HD2 TYR 33 3.556 8.495 -10.413 253 HE1 TYR 33 HE1 TYR 33 7.503 9.231 -13.255 254 HE2 TYR 33 HE2 TYR 33 3.551 7.711 -12.744 255 HH TYR 33 HH TYR 33 6.423 8.000 -14.788 256 H ASN 34 H ASN 34 8.608 9.351 -7.132 257 HA ASN 34 HA ASN 34 7.726 10.178 -4.528 258 HB2 ASN 34 2HB ASN 34 10.431 10.062 -5.860 259 HB3 ASN 34 3HB ASN 34 10.210 10.702 -4.235 260 HD21 ASN 34 1HD2 ASN 34 9.464 7.858 -6.206 261 HD22 ASN 34 2HD2 ASN 34 9.681 6.707 -4.936 262 H GLN 35 H GLN 35 8.450 12.254 -3.560 263 HA GLN 35 HA GLN 35 7.398 14.441 -4.932 264 HB2 GLN 35 2HB GLN 35 8.054 15.759 -3.098 265 HB3 GLN 35 3HB GLN 35 7.770 14.162 -2.421 266 HG2 GLN 35 2HG GLN 35 10.175 13.723 -2.452 267 HG3 GLN 35 3HG GLN 35 10.455 15.330 -3.121 268 HE21 GLN 35 1HE2 GLN 35 9.220 13.589 -0.328 269 HE22 GLN 35 2HE2 GLN 35 9.514 14.847 0.819 270 H GLY 36 H GLY 36 8.229 15.983 -6.239 271 HA2 GLY 36 2HA GLY 36 9.978 17.325 -7.125 272 HA3 GLY 36 3HA GLY 36 11.137 16.113 -6.601 273 H ASP 37 H ASP 37 9.269 14.011 -7.767 274 HA ASP 37 HA ASP 37 10.592 13.608 -10.183 275 HB2 ASP 37 2HB ASP 37 7.946 12.552 -9.179 276 HB3 ASP 37 3HB ASP 37 8.693 12.004 -10.678 277 H ILE 38 H ILE 38 10.330 14.345 -12.196 278 HA ILE 38 HA ILE 38 7.874 15.855 -12.814 279 HB ILE 38 HB ILE 38 10.684 16.532 -13.694 280 HG12 ILE 38 2HG1 ILE 38 9.297 18.659 -12.368 281 HG13 ILE 38 3HG1 ILE 38 9.226 17.220 -11.357 282 HG21 ILE 38 1HG2 ILE 38 8.026 17.369 -14.649 283 HG22 ILE 38 2HG2 ILE 38 9.198 18.662 -14.401 284 HG23 ILE 38 3HG2 ILE 38 9.575 17.327 -15.490 285 HD11 ILE 38 3HD1 ILE 38 11.789 17.109 -11.905 286 HD12 ILE 38 1HD1 ILE 38 11.569 18.832 -12.202 287 HD13 ILE 38 2HD1 ILE 38 11.170 18.151 -10.625 288 H VAL 39 H VAL 39 6.908 15.443 -14.730 289 HA VAL 39 HA VAL 39 8.338 13.875 -16.745 290 HB VAL 39 HB VAL 39 6.622 12.235 -16.977 291 HG11 VAL 39 1HG1 VAL 39 6.635 11.161 -14.728 292 HG12 VAL 39 2HG1 VAL 39 8.227 11.683 -15.284 293 HG13 VAL 39 3HG1 VAL 39 7.355 12.635 -14.080 294 HG21 VAL 39 3HG2 VAL 39 4.553 13.095 -16.642 295 HG22 VAL 39 1HG2 VAL 39 4.776 12.392 -15.040 296 HG23 VAL 39 2HG2 VAL 39 5.074 14.111 -15.298 297 H GLU 40 H GLU 40 7.170 13.791 -18.824 298 HA GLU 40 HA GLU 40 5.783 16.327 -19.288 299 HB2 GLU 40 2HB GLU 40 7.710 15.973 -20.690 300 HB3 GLU 40 3HB GLU 40 7.126 14.386 -21.174 301 HG2 GLU 40 2HG GLU 40 5.263 15.402 -22.349 302 HG3 GLU 40 3HG GLU 40 5.787 17.002 -21.824 303 H TYR 41 H TYR 41 3.677 16.413 -19.702 304 HA TYR 41 HA TYR 41 2.318 14.070 -20.808 305 HB2 TYR 41 2HB TYR 41 1.995 13.796 -18.437 306 HB3 TYR 41 3HB TYR 41 1.517 15.480 -18.257 307 HD1 TYR 41 HD2 TYR 41 -0.669 16.242 -19.188 308 HD2 TYR 41 HD1 TYR 41 0.425 12.132 -19.087 309 HE1 TYR 41 HE2 TYR 41 -3.025 15.613 -19.512 310 HE2 TYR 41 HE1 TYR 41 -1.927 11.492 -19.411 311 HH TYR 41 HH TYR 41 -4.205 12.561 -18.963 312 H ASN 42 H ASN 42 0.939 14.611 -22.371 313 HA ASN 42 HA ASN 42 -0.272 15.867 -23.831 314 HB2 ASN 42 2HB ASN 42 -0.984 17.013 -21.163 315 HB3 ASN 42 3HB ASN 42 -1.546 17.840 -22.613 316 HD21 ASN 42 1HD2 ASN 42 -3.680 17.338 -21.916 317 HD22 ASN 42 2HD2 ASN 42 -4.345 15.768 -22.197 318 H GLY 43 H GLY 43 2.541 16.589 -23.271 319 HA2 GLY 43 2HA GLY 43 3.969 18.134 -24.237 320 HA3 GLY 43 3HA GLY 43 2.565 19.059 -24.747 321 H LYS 44 H LYS 44 2.825 18.180 -21.420 322 HA LYS 44 HA LYS 44 3.668 20.928 -20.770 323 HB2 LYS 44 2HB LYS 44 1.503 19.227 -19.560 324 HB3 LYS 44 3HB LYS 44 2.230 20.552 -18.661 325 HG2 LYS 44 2HG LYS 44 1.170 22.127 -19.865 326 HG3 LYS 44 3HG LYS 44 1.311 21.221 -21.374 327 HD2 LYS 44 2HD LYS 44 -0.413 19.687 -19.855 328 HD3 LYS 44 3HD LYS 44 -0.883 21.343 -19.467 329 HE2 LYS 44 2HE LYS 44 -0.648 21.565 -22.126 330 HE3 LYS 44 3HE LYS 44 -1.068 19.857 -22.020 331 HZ1 LYS 44 3HZ LYS 44 -2.897 20.830 -20.411 332 HZ2 LYS 44 1HZ LYS 44 -3.136 20.748 -22.084 333 HZ3 LYS 44 2HZ LYS 44 -2.673 22.208 -21.367 334 H LEU 45 H LEU 45 4.095 20.875 -18.173 335 HA LEU 45 HA LEU 45 5.779 18.553 -17.567 336 HB2 LEU 45 2HB LEU 45 6.627 21.376 -17.870 337 HB3 LEU 45 3HB LEU 45 7.328 20.463 -16.534 338 HG LEU 45 HG LEU 45 7.509 19.762 -19.464 339 HD11 LEU 45 1HD1 LEU 45 9.959 20.202 -17.955 340 HD12 LEU 45 2HD1 LEU 45 8.940 21.637 -18.059 341 HD13 LEU 45 3HD1 LEU 45 9.468 20.823 -19.532 342 HD21 LEU 45 3HD2 LEU 45 7.465 17.718 -18.283 343 HD22 LEU 45 1HD2 LEU 45 8.477 18.357 -16.987 344 HD23 LEU 45 2HD2 LEU 45 9.168 18.065 -18.584 345 H TYR 46 H TYR 46 4.958 17.747 -15.756 346 HA TYR 46 HA TYR 46 4.077 19.620 -13.659 347 HB2 TYR 46 2HB TYR 46 3.153 16.783 -14.154 348 HB3 TYR 46 3HB TYR 46 2.582 17.838 -12.867 349 HD1 TYR 46 HD1 TYR 46 1.260 19.878 -13.450 350 HD2 TYR 46 HD2 TYR 46 2.261 16.929 -16.348 351 HE1 TYR 46 HE1 TYR 46 -0.494 20.753 -14.937 352 HE2 TYR 46 HE2 TYR 46 0.512 17.796 -17.844 353 HH TYR 46 HH TYR 46 -1.787 20.190 -16.788 354 H LYS 47 H LYS 47 4.503 19.048 -11.464 355 HA LYS 47 HA LYS 47 6.634 17.058 -11.090 356 HB2 LYS 47 2HB LYS 47 7.804 19.129 -11.134 357 HB3 LYS 47 3HB LYS 47 6.592 19.915 -10.131 358 HG2 LYS 47 2HG LYS 47 7.434 19.067 -8.203 359 HG3 LYS 47 3HG LYS 47 8.003 17.584 -8.972 360 HD2 LYS 47 2HD LYS 47 10.045 18.488 -8.840 361 HD3 LYS 47 3HD LYS 47 9.535 19.535 -10.167 362 HE2 LYS 47 2HE LYS 47 10.399 20.967 -8.499 363 HE3 LYS 47 3HE LYS 47 8.645 21.115 -8.406 364 HZ1 LYS 47 3HZ LYS 47 10.510 19.892 -6.513 365 HZ2 LYS 47 1HZ LYS 47 8.965 19.214 -6.645 366 HZ3 LYS 47 2HZ LYS 47 9.141 20.841 -6.219 367 H ALA 48 H ALA 48 6.074 15.614 -9.612 368 HA ALA 48 HA ALA 48 3.751 15.806 -8.038 369 HB1 ALA 48 1HB ALA 48 4.176 13.666 -7.421 370 HB2 ALA 48 2HB ALA 48 5.281 13.756 -8.793 371 HB3 ALA 48 3HB ALA 48 5.894 13.966 -7.152 372 H LYS 49 H LYS 49 3.430 17.076 -6.344 373 HA LYS 49 HA LYS 49 5.415 18.485 -4.971 374 HB2 LYS 49 2HB LYS 49 2.719 17.759 -3.827 375 HB3 LYS 49 3HB LYS 49 3.699 19.172 -3.458 376 HG2 LYS 49 2HG LYS 49 3.400 19.766 -5.943 377 HG3 LYS 49 3HG LYS 49 2.082 18.591 -5.907 378 HD2 LYS 49 2HD LYS 49 0.740 19.955 -4.729 379 HD3 LYS 49 3HD LYS 49 2.054 20.505 -3.687 380 HE2 LYS 49 2HE LYS 49 2.850 21.848 -5.713 381 HE3 LYS 49 3HE LYS 49 1.260 21.518 -6.400 382 HZ1 LYS 49 3HZ LYS 49 0.973 23.537 -5.343 383 HZ2 LYS 49 1HZ LYS 49 1.952 23.123 -4.027 384 HZ3 LYS 49 2HZ LYS 49 0.407 22.449 -4.178 385 H TYR 50 H TYR 50 3.663 15.534 -4.043 386 HA TYR 50 HA TYR 50 5.914 14.799 -2.332 387 HB2 TYR 50 2HB TYR 50 4.578 14.360 -0.411 388 HB3 TYR 50 3HB TYR 50 4.157 15.983 -0.946 389 HD1 TYR 50 HD1 TYR 50 2.136 15.955 -2.757 390 HD2 TYR 50 HD2 TYR 50 2.826 13.027 0.253 391 HE1 TYR 50 HE1 TYR 50 -0.236 15.314 -2.844 392 HE2 TYR 50 HE2 TYR 50 0.455 12.377 0.172 393 HH TYR 50 HH TYR 50 -1.907 14.207 -1.177 394 H TRP 51 H TRP 51 5.507 12.500 -1.429 395 HA TRP 51 HA TRP 51 5.424 10.696 -3.507 396 HB2 TRP 51 2HB TRP 51 5.993 10.502 -0.875 397 HB3 TRP 51 3HB TRP 51 4.432 9.687 -0.904 398 HD1 TRP 51 HD1 TRP 51 7.876 9.441 -2.670 399 HE1 TRP 51 HE1 TRP 51 8.289 6.970 -3.256 400 HE3 TRP 51 HE3 TRP 51 3.411 7.484 -1.129 401 HZ2 TRP 51 HZ2 TRP 51 6.905 4.514 -3.088 402 HZ3 TRP 51 HZ3 TRP 51 3.035 5.064 -1.377 403 HH2 TRP 51 HH2 TRP 51 4.747 3.613 -2.337 404 H THR 52 H THR 52 3.829 10.253 -4.866 405 HA THR 52 HA THR 52 1.255 9.417 -3.903 406 HB THR 52 HB THR 52 1.245 11.799 -5.752 407 HG1 THR 52 HG1 THR 52 1.191 13.099 -4.049 408 HG21 THR 52 3HG2 THR 52 -0.844 10.966 -5.997 409 HG22 THR 52 1HG2 THR 52 -1.130 11.784 -4.461 410 HG23 THR 52 2HG2 THR 52 -0.773 10.057 -4.489 411 H THR 53 H THR 53 -0.087 8.522 -5.586 412 HA THR 53 HA THR 53 1.342 8.005 -8.108 413 HB THR 53 HB THR 53 0.622 5.697 -8.106 414 HG1 THR 53 HG1 THR 53 -0.375 4.951 -6.026 415 HG21 THR 53 3HG2 THR 53 1.614 5.635 -5.376 416 HG22 THR 53 1HG2 THR 53 2.528 6.752 -6.390 417 HG23 THR 53 2HG2 THR 53 2.370 5.060 -6.863 418 H SER 54 H SER 54 0.179 9.031 -9.608 419 HA SER 54 HA SER 54 -2.343 8.180 -10.413 420 HB2 SER 54 2HB SER 54 -3.341 10.644 -9.770 421 HB3 SER 54 3HB SER 54 -3.653 9.169 -8.854 422 HG SER 54 HG SER 54 -2.902 10.862 -7.513 423 HA PRO 55 HA PRO 55 -1.084 10.440 -13.962 424 HB2 PRO 55 2HB PRO 55 -3.468 10.748 -15.225 425 HB3 PRO 55 3HB PRO 55 -2.621 9.199 -15.135 426 HG2 PRO 55 2HG PRO 55 -4.899 10.213 -13.478 427 HG3 PRO 55 3HG PRO 55 -4.659 8.604 -14.185 428 HD2 PRO 55 2HD PRO 55 -4.155 9.140 -11.579 429 HD3 PRO 55 3HD PRO 55 -3.228 7.940 -12.503 430 HA PRO 56 HA PRO 56 -1.640 14.744 -13.193 431 HB2 PRO 56 2HB PRO 56 -1.010 15.733 -15.640 432 HB3 PRO 56 3HB PRO 56 0.199 15.076 -14.530 433 HG2 PRO 56 2HG PRO 56 -1.116 13.774 -16.884 434 HG3 PRO 56 3HG PRO 56 0.586 13.735 -16.389 435 HD2 PRO 56 2HD PRO 56 -1.125 11.698 -15.885 436 HD3 PRO 56 3HD PRO 56 0.217 12.109 -14.798 437 H SER 57 H SER 57 -3.349 16.072 -13.150 438 HA SER 57 HA SER 57 -4.976 16.772 -15.296 439 HB2 SER 57 2HB SER 57 -5.659 14.217 -14.120 440 HB3 SER 57 3HB SER 57 -6.984 15.365 -13.935 441 HG SER 57 HG SER 57 -5.662 14.726 -16.366 442 H ASP 58 H ASP 58 -5.881 15.806 -11.989 443 HA ASP 58 HA ASP 58 -6.107 18.632 -11.255 444 HB2 ASP 58 2HB ASP 58 -8.338 17.137 -11.938 445 HB3 ASP 58 3HB ASP 58 -8.308 17.047 -10.178 446 H ASP 59 H ASP 59 -5.014 18.946 -9.444 447 HA ASP 59 HA ASP 59 -4.725 16.699 -7.563 448 HB2 ASP 59 2HB ASP 59 -2.779 18.333 -6.752 449 HB3 ASP 59 3HB ASP 59 -2.544 17.179 -8.061 450 HA PRO 60 HA PRO 60 -7.427 19.706 -5.358 451 HB2 PRO 60 2HB PRO 60 -8.878 17.793 -4.090 452 HB3 PRO 60 3HB PRO 60 -9.248 18.355 -5.724 453 HG2 PRO 60 2HG PRO 60 -7.770 15.902 -4.854 454 HG3 PRO 60 3HG PRO 60 -8.993 16.079 -6.126 455 HD2 PRO 60 2HD PRO 60 -6.340 15.975 -6.660 456 HD3 PRO 60 3HD PRO 60 -7.476 16.922 -7.643 457 H TYR 61 H TYR 61 -5.232 17.238 -4.459 458 HA TYR 61 HA TYR 61 -5.252 18.167 -1.664 459 HB2 TYR 61 2HB TYR 61 -3.766 15.889 -1.589 460 HB3 TYR 61 3HB TYR 61 -5.496 15.954 -1.273 461 HD1 TYR 61 HD2 TYR 61 -3.118 15.582 -4.132 462 HD2 TYR 61 HD1 TYR 61 -6.884 14.531 -2.454 463 HE1 TYR 61 HE2 TYR 61 -3.510 14.030 -5.999 464 HE2 TYR 61 HE1 TYR 61 -7.286 12.976 -4.316 465 HH TYR 61 HH TYR 61 -6.304 11.892 -6.056 466 H GLY 62 H GLY 62 -3.626 18.493 -4.518 467 HA2 GLY 62 2HA GLY 62 -1.672 19.693 -4.904 468 HA3 GLY 62 3HA GLY 62 -1.321 19.623 -3.184 469 H SER 63 H SER 63 -1.848 17.082 -5.621 470 HA SER 63 HA SER 63 0.531 15.713 -4.638 471 HB2 SER 63 2HB SER 63 -0.258 13.790 -5.849 472 HB3 SER 63 3HB SER 63 -1.641 14.494 -5.011 473 HG SER 63 HG SER 63 -1.403 14.007 -7.586 474 H TRP 64 H TRP 64 -0.374 17.791 -7.157 475 HA TRP 64 HA TRP 64 2.176 17.277 -8.510 476 HB2 TRP 64 2HB TRP 64 -0.550 17.343 -9.765 477 HB3 TRP 64 3HB TRP 64 0.866 17.832 -10.692 478 HD1 TRP 64 HD1 TRP 64 -0.977 14.790 -9.478 479 HE1 TRP 64 HE1 TRP 64 0.223 12.667 -10.301 480 HE3 TRP 64 HE3 TRP 64 3.339 16.916 -11.206 481 HZ2 TRP 64 HZ2 TRP 64 2.676 11.984 -11.520 482 HZ3 TRP 64 HZ3 TRP 64 5.062 15.458 -12.185 483 HH2 TRP 64 HH2 TRP 64 4.736 13.043 -12.338 484 H GLU 65 H GLU 65 2.923 19.096 -9.817 485 HA GLU 65 HA GLU 65 1.638 21.660 -9.298 486 HB2 GLU 65 2HB GLU 65 3.382 21.048 -7.471 487 HB3 GLU 65 3HB GLU 65 4.571 21.399 -8.717 488 HG2 GLU 65 2HG GLU 65 3.481 23.649 -8.973 489 HG3 GLU 65 3HG GLU 65 2.547 23.270 -7.526 490 H TYR 66 H TYR 66 1.490 22.615 -11.207 491 HA TYR 66 HA TYR 66 3.068 21.836 -13.448 492 HB2 TYR 66 2HB TYR 66 0.872 22.535 -13.950 493 HB3 TYR 66 3HB TYR 66 1.026 24.001 -12.988 494 HD1 TYR 66 HD1 TYR 66 2.209 25.949 -13.865 495 HD2 TYR 66 HD2 TYR 66 1.743 22.426 -16.205 496 HE1 TYR 66 HE1 TYR 66 2.838 27.211 -15.879 497 HE2 TYR 66 HE2 TYR 66 2.373 23.678 -18.226 498 HH TYR 66 HH TYR 66 2.365 26.933 -18.448 499 H LEU 67 H LEU 67 5.125 22.388 -13.688 500 HA LEU 67 HA LEU 67 6.073 24.941 -12.612 501 HB2 LEU 67 2HB LEU 67 7.822 22.843 -13.838 502 HB3 LEU 67 3HB LEU 67 8.229 24.060 -12.629 503 HG LEU 67 HG LEU 67 6.531 21.611 -12.153 504 HD11 LEU 67 1HD1 LEU 67 8.570 20.644 -12.188 505 HD12 LEU 67 2HD1 LEU 67 8.669 21.317 -10.561 506 HD13 LEU 67 3HD1 LEU 67 9.419 22.165 -11.913 507 HD21 LEU 67 3HD2 LEU 67 6.849 24.061 -10.685 508 HD22 LEU 67 1HD2 LEU 67 7.465 22.699 -9.750 509 HD23 LEU 67 2HD2 LEU 67 5.805 22.679 -10.347 510 H GLY 68 H GLY 68 5.670 23.181 -15.613 511 HA2 GLY 68 2HA GLY 68 5.689 25.540 -17.174 512 HA3 GLY 68 3HA GLY 68 7.241 24.729 -17.318 513 H GLU 69 H GLU 69 6.645 24.557 -19.599 514 HA GLU 69 HA GLU 69 4.964 22.186 -20.063 515 HB2 GLU 69 2HB GLU 69 4.660 24.859 -21.142 516 HB3 GLU 69 3HB GLU 69 4.878 23.676 -22.424 517 HG2 GLU 69 2HG GLU 69 2.968 22.477 -21.798 518 HG3 GLU 69 3HG GLU 69 2.881 23.272 -20.226 519 H ALA 70 H ALA 70 5.528 20.935 -21.948 520 HA ALA 70 HA ALA 70 8.283 20.465 -22.192 521 HB1 ALA 70 1HB ALA 70 7.610 19.026 -24.143 522 HB2 ALA 70 2HB ALA 70 6.787 18.675 -22.623 523 HB3 ALA 70 3HB ALA 70 5.957 19.584 -23.886 524 H GLU 71 H GLU 71 6.066 22.401 -24.108 525 HA GLU 71 HA GLU 71 8.343 23.261 -25.770 526 HB2 GLU 71 2HB GLU 71 5.613 22.467 -26.476 527 HB3 GLU 71 3HB GLU 71 6.100 24.001 -27.182 528 HG2 GLU 71 2HG GLU 71 7.800 21.541 -27.391 529 HG3 GLU 71 3HG GLU 71 6.517 21.901 -28.544 530 HA PRO 72 HA PRO 72 7.449 27.056 -23.510 531 HB2 PRO 72 2HB PRO 72 9.755 28.291 -24.237 532 HB3 PRO 72 3HB PRO 72 9.672 27.102 -22.932 533 HG2 PRO 72 2HG PRO 72 10.552 26.741 -25.770 534 HG3 PRO 72 3HG PRO 72 11.283 26.109 -24.284 535 HD2 PRO 72 2HD PRO 72 9.709 24.600 -25.888 536 HD3 PRO 72 3HD PRO 72 9.773 24.375 -24.127 537 H THR 73 H THR 73 6.753 29.082 -24.136 538 HA THR 73 HA THR 73 5.891 30.688 -25.500 539 HB THR 73 HB THR 73 7.939 29.853 -27.554 540 HG1 THR 73 HG1 THR 73 8.949 30.198 -25.509 541 HG21 THR 73 3HG2 THR 73 7.839 32.510 -27.707 542 HG22 THR 73 1HG2 THR 73 6.212 32.224 -27.091 543 HG23 THR 73 2HG2 THR 73 6.726 31.477 -28.603 Start of MODEL 4 1 H1 GLY 1 H GLY 1 31.784 8.407 -8.084 2 HA2 GLY 1 2HA GLY 1 31.839 5.576 -7.941 3 HA3 GLY 1 3HA GLY 1 32.079 6.260 -6.340 4 HA PRO 2 HA PRO 2 27.511 5.830 -7.195 5 HB2 PRO 2 2HB PRO 2 26.954 4.431 -4.936 6 HB3 PRO 2 3HB PRO 2 27.447 3.659 -6.448 7 HG2 PRO 2 2HG PRO 2 29.088 4.304 -4.029 8 HG3 PRO 2 3HG PRO 2 29.085 2.832 -5.019 9 HD2 PRO 2 2HD PRO 2 30.971 4.757 -5.277 10 HD3 PRO 2 3HD PRO 2 30.417 3.773 -6.647 11 H SER 3 H SER 3 25.791 6.832 -6.047 12 HA SER 3 HA SER 3 26.714 8.739 -4.005 13 HB2 SER 3 2HB SER 3 24.950 10.221 -4.724 14 HB3 SER 3 3HB SER 3 25.831 9.684 -6.155 15 HG SER 3 HG SER 3 24.091 8.729 -6.851 16 H THR 4 H THR 4 24.852 9.486 -2.534 17 HA THR 4 HA THR 4 23.097 7.247 -1.812 18 HB THR 4 HB THR 4 24.698 8.774 0.245 19 HG1 THR 4 HG1 THR 4 26.257 7.494 -0.425 20 HG21 THR 4 3HG2 THR 4 22.703 7.928 1.211 21 HG22 THR 4 1HG2 THR 4 23.981 6.802 1.665 22 HG23 THR 4 2HG2 THR 4 22.861 6.389 0.366 23 H SER 5 H SER 5 23.953 10.629 -1.111 24 HA SER 5 HA SER 5 21.379 11.260 -0.043 25 HB2 SER 5 2HB SER 5 23.743 12.440 0.253 26 HB3 SER 5 3HB SER 5 23.167 13.400 -1.109 27 HG SER 5 HG SER 5 22.641 14.155 1.103 28 H MET 6 H MET 6 19.673 11.052 -1.368 29 HA MET 6 HA MET 6 19.315 12.914 -3.491 30 HB2 MET 6 2HB MET 6 20.674 11.309 -4.721 31 HB3 MET 6 3HB MET 6 19.608 9.999 -4.234 32 HG2 MET 6 2HG MET 6 17.933 10.640 -5.669 33 HG3 MET 6 3HG MET 6 18.482 12.315 -5.728 34 HE1 MET 6 3HE MET 6 21.187 12.483 -8.260 35 HE2 MET 6 1HE MET 6 20.476 13.133 -6.783 36 HE3 MET 6 2HE MET 6 21.770 11.939 -6.686 37 H GLU 7 H GLU 7 17.157 12.982 -4.253 38 HA GLU 7 HA GLU 7 15.245 11.098 -3.132 39 HB2 GLU 7 2HB GLU 7 13.850 12.946 -2.201 40 HB3 GLU 7 3HB GLU 7 15.368 12.701 -1.348 41 HG2 GLU 7 2HG GLU 7 16.287 14.568 -2.833 42 HG3 GLU 7 3HG GLU 7 14.602 14.918 -3.209 43 H ASN 8 H ASN 8 16.292 12.180 -5.783 44 HA ASN 8 HA ASN 8 13.677 12.365 -7.045 45 HB2 ASN 8 2HB ASN 8 15.715 14.366 -7.934 46 HB3 ASN 8 3HB ASN 8 13.961 14.417 -8.079 47 HD21 ASN 8 1HD2 ASN 8 12.859 15.581 -6.657 48 HD22 ASN 8 2HD2 ASN 8 13.497 16.250 -5.198 49 H LEU 9 H LEU 9 14.307 10.246 -7.749 50 HA LEU 9 HA LEU 9 16.566 10.061 -9.575 51 HB2 LEU 9 2HB LEU 9 15.943 7.657 -9.679 52 HB3 LEU 9 3HB LEU 9 16.338 8.239 -8.063 53 HG LEU 9 HG LEU 9 13.483 8.352 -8.641 54 HD11 LEU 9 1HD1 LEU 9 13.810 6.421 -9.975 55 HD12 LEU 9 2HD1 LEU 9 13.215 5.864 -8.411 56 HD13 LEU 9 3HD1 LEU 9 14.928 5.718 -8.805 57 HD21 LEU 9 3HD2 LEU 9 14.534 6.640 -6.499 58 HD22 LEU 9 1HD2 LEU 9 13.343 7.940 -6.438 59 HD23 LEU 9 2HD2 LEU 9 15.066 8.322 -6.438 60 H VAL 10 H VAL 10 13.787 11.418 -10.001 61 HA VAL 10 HA VAL 10 12.357 10.129 -11.989 62 HB VAL 10 HB VAL 10 11.695 12.267 -10.875 63 HG11 VAL 10 1HG1 VAL 10 12.719 14.247 -11.241 64 HG12 VAL 10 2HG1 VAL 10 14.100 13.214 -11.616 65 HG13 VAL 10 3HG1 VAL 10 13.103 13.863 -12.919 66 HG21 VAL 10 3HG2 VAL 10 10.648 11.333 -12.980 67 HG22 VAL 10 1HG2 VAL 10 10.417 13.061 -12.704 68 HG23 VAL 10 2HG2 VAL 10 11.614 12.506 -13.875 69 H SER 11 H SER 11 15.408 11.811 -12.185 70 HA SER 11 HA SER 11 15.453 12.007 -15.040 71 HB2 SER 11 2HB SER 11 18.085 12.161 -14.271 72 HB3 SER 11 3HB SER 11 16.971 13.526 -14.338 73 HG SER 11 HG SER 11 16.714 13.447 -12.190 74 H LEU 12 H LEU 12 16.598 9.689 -12.666 75 HA LEU 12 HA LEU 12 17.843 8.068 -14.753 76 HB2 LEU 12 2HB LEU 12 17.776 7.779 -11.755 77 HB3 LEU 12 3HB LEU 12 18.574 6.645 -12.843 78 HG LEU 12 HG LEU 12 19.357 9.528 -12.894 79 HD11 LEU 12 1HD1 LEU 12 19.788 9.409 -10.689 80 HD12 LEU 12 2HD1 LEU 12 21.198 8.492 -11.221 81 HD13 LEU 12 3HD1 LEU 12 19.754 7.645 -10.666 82 HD21 LEU 12 3HD2 LEU 12 21.401 8.702 -13.716 83 HD22 LEU 12 1HD2 LEU 12 20.155 7.762 -14.536 84 HD23 LEU 12 2HD2 LEU 12 21.043 7.057 -13.186 85 H GLN 13 H GLN 13 14.893 8.462 -14.426 86 HA GLN 13 HA GLN 13 13.964 5.818 -13.648 87 HB2 GLN 13 2HB GLN 13 12.668 8.422 -14.299 88 HB3 GLN 13 3HB GLN 13 11.727 6.953 -14.520 89 HG2 GLN 13 2HG GLN 13 12.530 6.420 -12.095 90 HG3 GLN 13 3HG GLN 13 12.795 8.161 -12.017 91 HE21 GLN 13 1HE2 GLN 13 11.177 8.263 -10.400 92 HE22 GLN 13 2HE2 GLN 13 9.501 8.216 -10.819 93 H ASN 14 H ASN 14 14.755 7.592 -16.502 94 HA ASN 14 HA ASN 14 13.227 6.089 -18.361 95 HB2 ASN 14 2HB ASN 14 15.733 7.742 -18.718 96 HB3 ASN 14 3HB ASN 14 14.811 7.051 -20.049 97 HD21 ASN 14 1HD2 ASN 14 12.252 7.473 -19.327 98 HD22 ASN 14 2HD2 ASN 14 11.929 9.166 -19.207 99 H LEU 15 H LEU 15 16.777 6.137 -18.210 100 HA LEU 15 HA LEU 15 17.170 3.422 -17.691 101 HB2 LEU 15 2HB LEU 15 16.130 2.857 -19.722 102 HB3 LEU 15 3HB LEU 15 16.930 4.167 -20.589 103 HG LEU 15 HG LEU 15 19.040 2.978 -20.501 104 HD11 LEU 15 1HD1 LEU 15 17.663 1.444 -18.469 105 HD12 LEU 15 2HD1 LEU 15 19.389 1.584 -18.805 106 HD13 LEU 15 3HD1 LEU 15 18.413 0.407 -19.683 107 HD21 LEU 15 3HD2 LEU 15 18.177 0.796 -21.687 108 HD22 LEU 15 1HD2 LEU 15 17.984 2.378 -22.443 109 HD23 LEU 15 2HD2 LEU 15 16.624 1.631 -21.604 110 H LEU 16 H LEU 16 18.615 5.357 -20.300 111 HA LEU 16 HA LEU 16 21.083 5.506 -18.698 112 HB2 LEU 16 2HB LEU 16 20.795 4.140 -21.025 113 HB3 LEU 16 3HB LEU 16 21.334 5.708 -21.620 114 HG LEU 16 HG LEU 16 22.866 4.322 -19.456 115 HD11 LEU 16 1HD1 LEU 16 24.287 3.512 -21.497 116 HD12 LEU 16 2HD1 LEU 16 22.740 3.589 -22.342 117 HD13 LEU 16 3HD1 LEU 16 22.918 2.559 -20.922 118 HD21 LEU 16 3HD2 LEU 16 24.592 5.533 -21.211 119 HD22 LEU 16 1HD2 LEU 16 23.991 6.236 -19.710 120 HD23 LEU 16 2HD2 LEU 16 23.193 6.609 -21.238 121 H VAL 17 H VAL 17 18.874 7.139 -20.854 122 HA VAL 17 HA VAL 17 20.243 9.444 -21.485 123 HB VAL 17 HB VAL 17 18.098 10.571 -21.673 124 HG11 VAL 17 1HG1 VAL 17 18.776 8.874 -23.363 125 HG12 VAL 17 2HG1 VAL 17 17.791 7.689 -22.502 126 HG13 VAL 17 3HG1 VAL 17 17.032 9.100 -23.239 127 HG21 VAL 17 3HG2 VAL 17 17.303 8.554 -19.702 128 HG22 VAL 17 1HG2 VAL 17 16.655 10.167 -20.003 129 HG23 VAL 17 2HG2 VAL 17 16.134 8.807 -20.997 130 H TYR 18 H TYR 18 20.863 11.250 -20.445 131 HA TYR 18 HA TYR 18 19.813 11.833 -17.787 132 HB2 TYR 18 2HB TYR 18 22.309 12.260 -17.112 133 HB3 TYR 18 3HB TYR 18 21.636 10.638 -17.009 134 HD1 TYR 18 HD1 TYR 18 23.031 12.649 -19.837 135 HD2 TYR 18 HD2 TYR 18 23.247 9.076 -17.538 136 HE1 TYR 18 HE1 TYR 18 24.822 11.820 -21.306 137 HE2 TYR 18 HE2 TYR 18 25.040 8.237 -18.999 138 HH TYR 18 HH TYR 18 26.638 8.958 -20.551 139 H VAL 19 H VAL 19 19.165 13.261 -19.958 140 HA VAL 19 HA VAL 19 20.415 15.823 -19.405 141 HB VAL 19 HB VAL 19 20.717 16.345 -21.816 142 HG11 VAL 19 1HG1 VAL 19 22.867 15.507 -21.912 143 HG12 VAL 19 2HG1 VAL 19 22.508 15.390 -20.188 144 HG13 VAL 19 3HG1 VAL 19 22.407 13.957 -21.211 145 HG21 VAL 19 3HG2 VAL 19 20.063 13.424 -22.106 146 HG22 VAL 19 1HG2 VAL 19 19.309 14.802 -22.909 147 HG23 VAL 19 2HG2 VAL 19 20.952 14.322 -23.335 148 H ASN 20 H ASN 20 18.844 17.261 -19.161 149 HA ASN 20 HA ASN 20 16.473 17.107 -20.875 150 HB2 ASN 20 2HB ASN 20 16.114 17.720 -17.962 151 HB3 ASN 20 3HB ASN 20 14.935 17.124 -19.128 152 HD21 ASN 20 1HD2 ASN 20 15.549 14.914 -20.056 153 HD22 ASN 20 2HD2 ASN 20 16.068 13.736 -18.905 154 H TRP 21 H TRP 21 15.354 19.089 -21.132 155 HA TRP 21 HA TRP 21 16.096 21.488 -19.840 156 HB2 TRP 21 2HB TRP 21 17.444 22.580 -21.431 157 HB3 TRP 21 3HB TRP 21 18.138 20.966 -21.306 158 HD1 TRP 21 HD1 TRP 21 16.930 23.392 -23.808 159 HE1 TRP 21 HE1 TRP 21 16.743 22.288 -26.126 160 HE3 TRP 21 HE3 TRP 21 17.366 18.494 -22.412 161 HZ2 TRP 21 HZ2 TRP 21 16.776 19.685 -27.217 162 HZ3 TRP 21 HZ3 TRP 21 17.277 16.758 -24.153 163 HH2 TRP 21 HH2 TRP 21 16.988 17.343 -26.506 164 H SER 22 H SER 22 14.788 19.947 -22.721 165 HA SER 22 HA SER 22 12.514 21.786 -22.607 166 HB2 SER 22 2HB SER 22 13.902 22.780 -24.310 167 HB3 SER 22 3HB SER 22 14.151 21.216 -25.088 168 HG SER 22 HG SER 22 12.225 22.969 -25.544 169 H SER 23 H SER 23 13.806 19.028 -24.466 170 HA SER 23 HA SER 23 11.152 17.899 -24.728 171 HB2 SER 23 2HB SER 23 13.852 16.888 -25.648 172 HB3 SER 23 3HB SER 23 12.310 16.119 -26.023 173 HG SER 23 HG SER 23 11.821 17.707 -27.374 174 H TYR 24 H TYR 24 11.561 18.025 -22.114 175 HA TYR 24 HA TYR 24 12.935 16.060 -20.772 176 HB2 TYR 24 2HB TYR 24 10.521 17.672 -20.225 177 HB3 TYR 24 3HB TYR 24 10.679 16.204 -19.267 178 HD1 TYR 24 HD2 TYR 24 12.798 19.080 -20.377 179 HD2 TYR 24 HD1 TYR 24 11.781 16.379 -17.251 180 HE1 TYR 24 HE2 TYR 24 14.365 20.237 -18.876 181 HE2 TYR 24 HE1 TYR 24 13.344 17.529 -15.740 182 HH TYR 24 HH TYR 24 15.696 19.628 -16.779 183 HA PRO 25 HA PRO 25 11.102 12.168 -21.627 184 HB2 PRO 25 2HB PRO 25 11.159 10.958 -19.198 185 HB3 PRO 25 3HB PRO 25 12.612 11.246 -20.163 186 HG2 PRO 25 2HG PRO 25 11.529 12.815 -17.854 187 HG3 PRO 25 3HG PRO 25 13.204 12.345 -18.201 188 HD2 PRO 25 2HD PRO 25 12.248 14.824 -18.725 189 HD3 PRO 25 3HD PRO 25 13.502 14.055 -19.718 190 H LYS 26 H LYS 26 9.076 11.476 -21.919 191 HA LYS 26 HA LYS 26 6.863 12.759 -20.739 192 HB2 LYS 26 2HB LYS 26 6.358 11.882 -22.813 193 HB3 LYS 26 3HB LYS 26 7.243 10.391 -22.516 194 HG2 LYS 26 2HG LYS 26 5.491 9.539 -21.140 195 HG3 LYS 26 3HG LYS 26 4.646 11.089 -21.167 196 HD2 LYS 26 2HD LYS 26 3.489 9.791 -22.727 197 HD3 LYS 26 3HD LYS 26 4.571 10.773 -23.716 198 HE2 LYS 26 2HE LYS 26 4.731 8.588 -24.581 199 HE3 LYS 26 3HE LYS 26 6.192 8.825 -23.623 200 HZ1 LYS 26 3HZ LYS 26 4.008 6.982 -23.223 201 HZ2 LYS 26 1HZ LYS 26 4.491 7.790 -21.818 202 HZ3 LYS 26 2HZ LYS 26 5.615 6.888 -22.702 203 H TYR 27 H TYR 27 5.367 12.064 -19.216 204 HA TYR 27 HA TYR 27 6.271 10.841 -16.931 205 HB2 TYR 27 2HB TYR 27 4.254 11.464 -16.197 206 HB3 TYR 27 3HB TYR 27 3.817 11.881 -17.851 207 HD1 TYR 27 HD2 TYR 27 3.647 9.249 -15.275 208 HD2 TYR 27 HD1 TYR 27 2.331 10.504 -19.122 209 HE1 TYR 27 HE2 TYR 27 1.938 7.480 -15.262 210 HE2 TYR 27 HE1 TYR 27 0.619 8.740 -19.119 211 HH TYR 27 HH TYR 27 -0.606 7.366 -17.531 212 H GLU 28 H GLU 28 6.585 8.814 -16.245 213 HA GLU 28 HA GLU 28 5.729 6.623 -18.019 214 HB2 GLU 28 2HB GLU 28 8.275 7.213 -16.688 215 HB3 GLU 28 3HB GLU 28 7.728 5.556 -16.467 216 HG2 GLU 28 2HG GLU 28 7.327 5.866 -19.121 217 HG3 GLU 28 3HG GLU 28 8.719 6.917 -18.870 218 HA PRO 29 HA PRO 29 3.218 5.705 -14.392 219 HB2 PRO 29 2HB PRO 29 1.652 3.890 -15.665 220 HB3 PRO 29 3HB PRO 29 1.408 5.635 -15.804 221 HG2 PRO 29 2HG PRO 29 2.783 3.759 -17.687 222 HG3 PRO 29 3HG PRO 29 1.658 5.080 -18.048 223 HD2 PRO 29 2HD PRO 29 4.340 5.338 -18.317 224 HD3 PRO 29 3HD PRO 29 3.292 6.694 -17.854 225 H GLY 30 H GLY 30 3.641 4.241 -12.853 226 HA2 GLY 30 2HA GLY 30 3.832 1.925 -12.171 227 HA3 GLY 30 3HA GLY 30 4.684 1.608 -13.675 228 H LYS 31 H LYS 31 5.449 4.483 -11.922 229 HA LYS 31 HA LYS 31 7.732 3.228 -10.604 230 HB2 LYS 31 2HB LYS 31 7.967 5.462 -12.626 231 HB3 LYS 31 3HB LYS 31 9.257 4.988 -11.528 232 HG2 LYS 31 2HG LYS 31 9.921 3.669 -13.200 233 HG3 LYS 31 3HG LYS 31 8.613 2.605 -12.678 234 HD2 LYS 31 2HD LYS 31 7.416 4.522 -14.334 235 HD3 LYS 31 3HD LYS 31 8.915 4.062 -15.145 236 HE2 LYS 31 2HE LYS 31 8.013 1.636 -14.400 237 HE3 LYS 31 3HE LYS 31 6.480 2.483 -14.603 238 HZ1 LYS 31 3HZ LYS 31 6.792 1.788 -16.719 239 HZ2 LYS 31 1HZ LYS 31 8.479 1.752 -16.598 240 HZ3 LYS 31 2HZ LYS 31 7.679 3.225 -16.824 241 H GLU 32 H GLU 32 7.864 3.966 -8.596 242 HA GLU 32 HA GLU 32 6.223 5.869 -7.470 243 HB2 GLU 32 2HB GLU 32 8.604 4.400 -6.661 244 HB3 GLU 32 3HB GLU 32 8.517 5.988 -5.911 245 HG2 GLU 32 2HG GLU 32 7.097 5.186 -4.425 246 HG3 GLU 32 3HG GLU 32 5.945 4.862 -5.720 247 H TYR 33 H TYR 33 6.255 8.035 -7.189 248 HA TYR 33 HA TYR 33 8.550 9.506 -8.309 249 HB2 TYR 33 2HB TYR 33 5.598 10.016 -8.595 250 HB3 TYR 33 3HB TYR 33 6.775 11.303 -8.825 251 HD1 TYR 33 HD2 TYR 33 8.652 10.859 -10.554 252 HD2 TYR 33 HD1 TYR 33 5.034 8.628 -10.376 253 HE1 TYR 33 HE2 TYR 33 8.985 10.144 -12.884 254 HE2 TYR 33 HE1 TYR 33 5.358 7.907 -12.706 255 HH TYR 33 HH TYR 33 7.644 7.660 -14.254 256 H ASN 34 H ASN 34 9.624 10.310 -6.622 257 HA ASN 34 HA ASN 34 8.288 11.078 -4.187 258 HB2 ASN 34 2HB ASN 34 11.166 11.164 -5.091 259 HB3 ASN 34 3HB ASN 34 10.647 11.817 -3.540 260 HD21 ASN 34 1HD2 ASN 34 10.053 8.880 -5.447 261 HD22 ASN 34 2HD2 ASN 34 10.317 7.779 -4.143 262 H GLN 35 H GLN 35 9.071 13.265 -3.195 263 HA GLN 35 HA GLN 35 7.895 15.331 -4.705 264 HB2 GLN 35 2HB GLN 35 8.367 16.751 -2.886 265 HB3 GLN 35 3HB GLN 35 8.108 15.165 -2.172 266 HG2 GLN 35 2HG GLN 35 10.516 14.838 -2.004 267 HG3 GLN 35 3HG GLN 35 10.786 16.419 -2.735 268 HE21 GLN 35 1HE2 GLN 35 8.782 15.076 -0.126 269 HE22 GLN 35 2HE2 GLN 35 9.194 16.282 1.040 270 H GLY 36 H GLY 36 8.718 16.883 -6.006 271 HA2 GLY 36 2HA GLY 36 10.447 18.302 -6.817 272 HA3 GLY 36 3HA GLY 36 11.633 17.161 -6.201 273 H ASP 37 H ASP 37 9.941 14.943 -7.420 274 HA ASP 37 HA ASP 37 11.415 14.601 -9.771 275 HB2 ASP 37 2HB ASP 37 8.840 13.329 -8.835 276 HB3 ASP 37 3HB ASP 37 9.688 12.820 -10.292 277 H ILE 38 H ILE 38 11.156 15.264 -11.812 278 HA ILE 38 HA ILE 38 8.618 16.586 -12.521 279 HB ILE 38 HB ILE 38 11.399 17.351 -13.420 280 HG12 ILE 38 2HG1 ILE 38 9.668 19.327 -12.090 281 HG13 ILE 38 3HG1 ILE 38 10.170 17.989 -11.061 282 HG21 ILE 38 1HG2 ILE 38 8.754 17.916 -14.509 283 HG22 ILE 38 2HG2 ILE 38 9.702 19.365 -14.180 284 HG23 ILE 38 3HG2 ILE 38 10.346 18.111 -15.239 285 HD11 ILE 38 3HD1 ILE 38 12.261 19.317 -12.678 286 HD12 ILE 38 1HD1 ILE 38 11.591 20.209 -11.312 287 HD13 ILE 38 2HD1 ILE 38 12.340 18.633 -11.055 288 H VAL 39 H VAL 39 7.711 16.101 -14.462 289 HA VAL 39 HA VAL 39 9.210 14.524 -16.404 290 HB VAL 39 HB VAL 39 7.612 12.753 -16.552 291 HG11 VAL 39 1HG1 VAL 39 8.331 13.273 -13.669 292 HG12 VAL 39 2HG1 VAL 39 7.803 11.719 -14.322 293 HG13 VAL 39 3HG1 VAL 39 9.319 12.437 -14.866 294 HG21 VAL 39 3HG2 VAL 39 5.796 12.803 -14.606 295 HG22 VAL 39 1HG2 VAL 39 5.980 14.541 -14.843 296 HG23 VAL 39 2HG2 VAL 39 5.498 13.512 -16.192 297 H GLU 40 H GLU 40 8.323 14.546 -18.501 298 HA GLU 40 HA GLU 40 6.657 16.859 -19.023 299 HB2 GLU 40 2HB GLU 40 8.636 16.484 -20.404 300 HB3 GLU 40 3HB GLU 40 8.013 14.919 -20.904 301 HG2 GLU 40 2HG GLU 40 6.147 16.004 -22.027 302 HG3 GLU 40 3HG GLU 40 6.738 17.580 -21.500 303 H TYR 41 H TYR 41 4.749 16.801 -20.311 304 HA TYR 41 HA TYR 41 3.467 14.256 -20.811 305 HB2 TYR 41 2HB TYR 41 2.998 14.816 -18.388 306 HB3 TYR 41 3HB TYR 41 2.100 16.217 -18.963 307 HD1 TYR 41 HD1 TYR 41 2.252 12.507 -19.299 308 HD2 TYR 41 HD2 TYR 41 -0.160 16.007 -19.478 309 HE1 TYR 41 HE1 TYR 41 0.248 11.105 -19.561 310 HE2 TYR 41 HE2 TYR 41 -2.171 14.614 -19.738 311 HH TYR 41 HH TYR 41 -2.630 11.881 -18.958 312 H ASN 42 H ASN 42 2.800 14.532 -22.831 313 HA ASN 42 HA ASN 42 1.906 15.445 -24.714 314 HB2 ASN 42 2HB ASN 42 0.213 16.891 -22.665 315 HB3 ASN 42 3HB ASN 42 -0.137 16.827 -24.390 316 HD21 ASN 42 1HD2 ASN 42 -1.815 15.914 -22.287 317 HD22 ASN 42 2HD2 ASN 42 -2.033 14.213 -22.499 318 H GLY 43 H GLY 43 4.197 16.797 -23.394 319 HA2 GLY 43 2HA GLY 43 5.504 18.545 -24.268 320 HA3 GLY 43 3HA GLY 43 4.052 19.259 -24.953 321 H LYS 44 H LYS 44 3.889 18.267 -21.669 322 HA LYS 44 HA LYS 44 4.083 21.086 -20.832 323 HB2 LYS 44 2HB LYS 44 2.382 18.829 -19.767 324 HB3 LYS 44 3HB LYS 44 2.583 20.361 -18.927 325 HG2 LYS 44 2HG LYS 44 0.991 21.283 -20.153 326 HG3 LYS 44 3HG LYS 44 1.853 20.875 -21.638 327 HD2 LYS 44 2HD LYS 44 0.684 18.909 -21.934 328 HD3 LYS 44 3HD LYS 44 0.302 18.756 -20.217 329 HE2 LYS 44 2HE LYS 44 -1.077 20.931 -20.621 330 HE3 LYS 44 3HE LYS 44 -1.005 20.438 -22.313 331 HZ1 LYS 44 3HZ LYS 44 -2.274 18.590 -21.924 332 HZ2 LYS 44 1HZ LYS 44 -2.950 19.658 -20.798 333 HZ3 LYS 44 2HZ LYS 44 -1.845 18.481 -20.291 334 H LEU 45 H LEU 45 4.344 21.051 -18.240 335 HA LEU 45 HA LEU 45 6.423 19.130 -17.496 336 HB2 LEU 45 2HB LEU 45 6.709 22.113 -17.585 337 HB3 LEU 45 3HB LEU 45 7.671 21.138 -16.476 338 HG LEU 45 HG LEU 45 7.691 20.949 -19.489 339 HD11 LEU 45 1HD1 LEU 45 9.147 22.576 -17.597 340 HD12 LEU 45 2HD1 LEU 45 9.120 22.644 -19.357 341 HD13 LEU 45 3HD1 LEU 45 10.227 21.544 -18.535 342 HD21 LEU 45 3HD2 LEU 45 9.728 19.494 -18.967 343 HD22 LEU 45 1HD2 LEU 45 8.132 18.781 -18.728 344 HD23 LEU 45 2HD2 LEU 45 9.056 19.358 -17.341 345 H TYR 46 H TYR 46 5.863 18.265 -15.622 346 HA TYR 46 HA TYR 46 4.475 19.956 -13.646 347 HB2 TYR 46 2HB TYR 46 4.036 17.010 -14.176 348 HB3 TYR 46 3HB TYR 46 3.262 17.941 -12.898 349 HD1 TYR 46 HD2 TYR 46 3.457 17.430 -16.543 350 HD2 TYR 46 HD1 TYR 46 1.402 19.372 -13.364 351 HE1 TYR 46 HE2 TYR 46 1.642 18.033 -18.091 352 HE2 TYR 46 HE1 TYR 46 -0.418 19.980 -14.902 353 HH TYR 46 HH TYR 46 -1.357 19.314 -16.997 354 H LYS 47 H LYS 47 4.896 19.504 -11.433 355 HA LYS 47 HA LYS 47 7.266 17.845 -10.914 356 HB2 LYS 47 2HB LYS 47 8.157 20.045 -10.982 357 HB3 LYS 47 3HB LYS 47 6.803 20.702 -10.071 358 HG2 LYS 47 2HG LYS 47 7.743 20.221 -8.106 359 HG3 LYS 47 3HG LYS 47 8.270 18.623 -8.642 360 HD2 LYS 47 2HD LYS 47 10.342 19.352 -9.020 361 HD3 LYS 47 3HD LYS 47 9.755 20.720 -9.969 362 HE2 LYS 47 2HE LYS 47 9.178 21.770 -7.688 363 HE3 LYS 47 3HE LYS 47 10.253 20.546 -7.016 364 HZ1 LYS 47 3HZ LYS 47 11.090 22.927 -7.813 365 HZ2 LYS 47 1HZ LYS 47 11.290 22.075 -9.262 366 HZ3 LYS 47 2HZ LYS 47 12.070 21.549 -7.856 367 H ALA 48 H ALA 48 6.769 16.346 -9.468 368 HA ALA 48 HA ALA 48 4.404 16.293 -7.968 369 HB1 ALA 48 1HB ALA 48 5.391 14.218 -8.388 370 HB2 ALA 48 2HB ALA 48 6.966 14.742 -7.791 371 HB3 ALA 48 3HB ALA 48 5.641 14.470 -6.660 372 H LYS 49 H LYS 49 3.858 17.541 -6.315 373 HA LYS 49 HA LYS 49 5.641 19.187 -4.895 374 HB2 LYS 49 2HB LYS 49 2.854 18.278 -4.154 375 HB3 LYS 49 3HB LYS 49 3.727 19.588 -3.371 376 HG2 LYS 49 2HG LYS 49 3.689 20.903 -5.359 377 HG3 LYS 49 3HG LYS 49 3.050 19.553 -6.302 378 HD2 LYS 49 2HD LYS 49 0.940 19.736 -5.379 379 HD3 LYS 49 3HD LYS 49 1.533 20.545 -3.926 380 HE2 LYS 49 2HE LYS 49 2.223 22.268 -5.978 381 HE3 LYS 49 3HE LYS 49 0.637 21.666 -6.452 382 HZ1 LYS 49 3HZ LYS 49 0.974 22.507 -3.677 383 HZ2 LYS 49 1HZ LYS 49 -0.368 22.655 -4.697 384 HZ3 LYS 49 2HZ LYS 49 0.932 23.725 -4.852 385 H TYR 50 H TYR 50 4.036 16.153 -3.960 386 HA TYR 50 HA TYR 50 6.210 15.662 -2.063 387 HB2 TYR 50 2HB TYR 50 4.783 15.190 -0.238 388 HB3 TYR 50 3HB TYR 50 4.188 16.707 -0.903 389 HD1 TYR 50 HD2 TYR 50 2.340 16.313 -2.840 390 HD2 TYR 50 HD1 TYR 50 3.191 13.641 0.359 391 HE1 TYR 50 HE2 TYR 50 0.093 15.339 -3.065 392 HE2 TYR 50 HE1 TYR 50 0.946 12.658 0.143 393 HH TYR 50 HH TYR 50 -0.813 12.437 -1.520 394 H TRP 51 H TRP 51 5.869 13.351 -1.092 395 HA TRP 51 HA TRP 51 6.195 11.488 -3.091 396 HB2 TRP 51 2HB TRP 51 6.427 11.417 -0.401 397 HB3 TRP 51 3HB TRP 51 4.953 10.473 -0.601 398 HD1 TRP 51 HD1 TRP 51 8.557 10.482 -2.058 399 HE1 TRP 51 HE1 TRP 51 9.259 8.034 -2.429 400 HE3 TRP 51 HE3 TRP 51 4.220 8.169 -0.648 401 HZ2 TRP 51 HZ2 TRP 51 8.126 5.463 -2.160 402 HZ3 TRP 51 HZ3 TRP 51 4.112 5.713 -0.734 403 HH2 TRP 51 HH2 TRP 51 6.025 4.389 -1.476 404 H THR 52 H THR 52 4.886 10.493 -4.473 405 HA THR 52 HA THR 52 2.307 9.549 -3.886 406 HB THR 52 HB THR 52 1.669 11.915 -3.893 407 HG1 THR 52 HG1 THR 52 -0.121 11.351 -4.874 408 HG21 THR 52 3HG2 THR 52 2.174 12.167 -6.808 409 HG22 THR 52 1HG2 THR 52 3.555 12.345 -5.726 410 HG23 THR 52 2HG2 THR 52 2.155 13.404 -5.552 411 H THR 53 H THR 53 1.326 8.457 -5.659 412 HA THR 53 HA THR 53 3.015 8.242 -8.062 413 HB THR 53 HB THR 53 2.581 5.821 -8.134 414 HG1 THR 53 HG1 THR 53 1.554 4.814 -6.422 415 HG21 THR 53 3HG2 THR 53 4.384 5.353 -6.860 416 HG22 THR 53 1HG2 THR 53 3.679 6.078 -5.415 417 HG23 THR 53 2HG2 THR 53 4.443 7.101 -6.632 418 H SER 54 H SER 54 1.813 9.081 -9.645 419 HA SER 54 HA SER 54 -0.464 7.830 -10.645 420 HB2 SER 54 2HB SER 54 -1.898 8.571 -8.990 421 HB3 SER 54 3HB SER 54 -0.994 10.062 -8.726 422 HG SER 54 HG SER 54 -2.925 10.522 -9.790 423 HA PRO 55 HA PRO 55 0.703 10.297 -14.087 424 HB2 PRO 55 2HB PRO 55 -1.570 10.167 -15.565 425 HB3 PRO 55 3HB PRO 55 -0.464 8.801 -15.382 426 HG2 PRO 55 2HG PRO 55 -3.032 9.365 -13.950 427 HG3 PRO 55 3HG PRO 55 -2.435 7.834 -14.615 428 HD2 PRO 55 2HD PRO 55 -2.281 8.437 -11.980 429 HD3 PRO 55 3HD PRO 55 -1.068 7.436 -12.803 430 HA PRO 56 HA PRO 56 -0.710 14.427 -13.510 431 HB2 PRO 56 2HB PRO 56 -0.243 15.464 -15.976 432 HB3 PRO 56 3HB PRO 56 1.051 15.078 -14.835 433 HG2 PRO 56 2HG PRO 56 0.050 13.494 -17.170 434 HG3 PRO 56 3HG PRO 56 1.720 13.795 -16.656 435 HD2 PRO 56 2HD PRO 56 0.426 11.478 -16.120 436 HD3 PRO 56 3HD PRO 56 1.646 12.165 -15.028 437 H SER 57 H SER 57 -2.649 15.386 -13.511 438 HA SER 57 HA SER 57 -4.344 15.744 -15.681 439 HB2 SER 57 2HB SER 57 -4.904 13.496 -15.889 440 HB3 SER 57 3HB SER 57 -4.805 13.205 -14.152 441 HG SER 57 HG SER 57 -6.867 13.545 -14.097 442 H ASP 58 H ASP 58 -5.055 14.605 -12.379 443 HA ASP 58 HA ASP 58 -5.901 17.315 -11.661 444 HB2 ASP 58 2HB ASP 58 -7.633 14.907 -11.826 445 HB3 ASP 58 3HB ASP 58 -7.863 15.960 -10.432 446 H ASP 59 H ASP 59 -4.810 17.845 -9.899 447 HA ASP 59 HA ASP 59 -4.143 15.732 -7.960 448 HB2 ASP 59 2HB ASP 59 -2.499 17.729 -7.232 449 HB3 ASP 59 3HB ASP 59 -2.067 16.533 -8.451 450 HA PRO 60 HA PRO 60 -7.280 18.334 -5.813 451 HB2 PRO 60 2HB PRO 60 -8.407 16.252 -4.484 452 HB3 PRO 60 3HB PRO 60 -8.869 16.704 -6.130 453 HG2 PRO 60 2HG PRO 60 -7.019 14.538 -5.210 454 HG3 PRO 60 3HG PRO 60 -8.260 14.486 -6.475 455 HD2 PRO 60 2HD PRO 60 -5.626 14.785 -7.029 456 HD3 PRO 60 3HD PRO 60 -6.902 15.517 -8.026 457 H TYR 61 H TYR 61 -4.784 16.169 -4.833 458 HA TYR 61 HA TYR 61 -4.893 17.238 -2.089 459 HB2 TYR 61 2HB TYR 61 -3.197 15.155 -1.852 460 HB3 TYR 61 3HB TYR 61 -4.938 15.013 -1.632 461 HD1 TYR 61 HD2 TYR 61 -2.263 14.667 -4.199 462 HD2 TYR 61 HD1 TYR 61 -6.169 13.531 -2.951 463 HE1 TYR 61 HE2 TYR 61 -2.347 12.997 -6.002 464 HE2 TYR 61 HE1 TYR 61 -6.264 11.857 -4.750 465 HH TYR 61 HH TYR 61 -3.535 10.901 -6.516 466 H GLY 62 H GLY 62 -3.599 18.238 -4.692 467 HA2 GLY 62 2HA GLY 62 -1.698 19.399 -5.248 468 HA3 GLY 62 3HA GLY 62 -1.352 19.449 -3.526 469 H SER 63 H SER 63 -1.505 16.783 -5.883 470 HA SER 63 HA SER 63 0.953 15.695 -4.796 471 HB2 SER 63 2HB SER 63 0.488 13.880 -6.552 472 HB3 SER 63 3HB SER 63 -0.678 14.041 -5.237 473 HG SER 63 HG SER 63 -1.265 14.037 -7.722 474 H TRP 64 H TRP 64 -0.025 17.666 -7.413 475 HA TRP 64 HA TRP 64 2.693 17.521 -8.522 476 HB2 TRP 64 2HB TRP 64 0.085 17.389 -10.019 477 HB3 TRP 64 3HB TRP 64 1.553 17.974 -10.796 478 HD1 TRP 64 HD1 TRP 64 -0.210 14.812 -9.789 479 HE1 TRP 64 HE1 TRP 64 1.194 12.775 -10.501 480 HE3 TRP 64 HE3 TRP 64 4.116 17.216 -11.067 481 HZ2 TRP 64 HZ2 TRP 64 3.792 12.257 -11.475 482 HZ3 TRP 64 HZ3 TRP 64 6.014 15.878 -11.879 483 HH2 TRP 64 HH2 TRP 64 5.854 13.449 -12.077 484 H GLU 65 H GLU 65 3.276 19.455 -9.801 485 HA GLU 65 HA GLU 65 1.723 21.847 -9.140 486 HB2 GLU 65 2HB GLU 65 3.455 21.564 -7.383 487 HB3 GLU 65 3HB GLU 65 4.693 21.605 -8.631 488 HG2 GLU 65 2HG GLU 65 4.009 23.879 -9.228 489 HG3 GLU 65 3HG GLU 65 2.791 23.837 -7.953 490 H TYR 66 H TYR 66 1.271 22.696 -11.058 491 HA TYR 66 HA TYR 66 2.675 22.209 -13.433 492 HB2 TYR 66 2HB TYR 66 0.268 23.135 -13.036 493 HB3 TYR 66 3HB TYR 66 1.058 24.708 -13.044 494 HD1 TYR 66 HD2 TYR 66 1.697 21.664 -15.106 495 HD2 TYR 66 HD1 TYR 66 0.459 25.734 -15.038 496 HE1 TYR 66 HE2 TYR 66 1.629 21.678 -17.565 497 HE2 TYR 66 HE1 TYR 66 0.386 25.759 -17.497 498 HH TYR 66 HH TYR 66 0.054 23.827 -19.347 499 H LEU 67 H LEU 67 4.699 22.795 -13.836 500 HA LEU 67 HA LEU 67 5.722 25.310 -12.736 501 HB2 LEU 67 2HB LEU 67 7.162 23.008 -14.048 502 HB3 LEU 67 3HB LEU 67 7.934 24.443 -13.377 503 HG LEU 67 HG LEU 67 6.499 22.256 -11.879 504 HD11 LEU 67 1HD1 LEU 67 9.340 23.127 -12.185 505 HD12 LEU 67 2HD1 LEU 67 8.648 21.506 -12.256 506 HD13 LEU 67 3HD1 LEU 67 8.812 22.327 -10.703 507 HD21 LEU 67 3HD2 LEU 67 7.614 23.879 -9.988 508 HD22 LEU 67 1HD2 LEU 67 5.908 23.862 -10.435 509 HD23 LEU 67 2HD2 LEU 67 6.997 25.047 -11.157 510 H GLY 68 H GLY 68 4.454 24.060 -15.590 511 HA2 GLY 68 2HA GLY 68 4.251 26.155 -17.153 512 HA3 GLY 68 3HA GLY 68 5.979 25.877 -17.309 513 H GLU 69 H GLU 69 6.269 25.119 -19.309 514 HA GLU 69 HA GLU 69 4.960 22.610 -20.016 515 HB2 GLU 69 2HB GLU 69 4.337 25.161 -21.234 516 HB3 GLU 69 3HB GLU 69 4.990 24.040 -22.421 517 HG2 GLU 69 2HG GLU 69 3.279 22.464 -22.017 518 HG3 GLU 69 3HG GLU 69 2.743 23.312 -20.569 519 H ALA 70 H ALA 70 6.007 21.517 -21.832 520 HA ALA 70 HA ALA 70 8.827 21.586 -21.605 521 HB1 ALA 70 1HB ALA 70 8.753 19.952 -23.510 522 HB2 ALA 70 2HB ALA 70 7.792 19.507 -22.099 523 HB3 ALA 70 3HB ALA 70 7.002 20.166 -23.532 524 H GLU 71 H GLU 71 6.588 22.713 -24.108 525 HA GLU 71 HA GLU 71 8.824 24.210 -25.311 526 HB2 GLU 71 2HB GLU 71 6.603 22.672 -26.617 527 HB3 GLU 71 3HB GLU 71 7.349 24.028 -27.450 528 HG2 GLU 71 2HG GLU 71 9.450 22.434 -26.477 529 HG3 GLU 71 3HG GLU 71 8.268 21.338 -27.192 530 HA PRO 72 HA PRO 72 6.053 27.515 -24.002 531 HB2 PRO 72 2HB PRO 72 7.896 29.482 -24.321 532 HB3 PRO 72 3HB PRO 72 7.851 28.431 -22.901 533 HG2 PRO 72 2HG PRO 72 9.592 28.259 -25.329 534 HG3 PRO 72 3HG PRO 72 10.026 28.040 -23.623 535 HD2 PRO 72 2HD PRO 72 9.614 25.956 -25.300 536 HD3 PRO 72 3HD PRO 72 9.232 25.877 -23.568 537 H THR 73 H THR 73 4.726 28.743 -25.205 538 HA THR 73 HA THR 73 4.648 28.614 -27.972 539 HB THR 73 HB THR 73 3.155 30.692 -27.791 540 HG1 THR 73 HG1 THR 73 3.308 30.153 -25.008 541 HG21 THR 73 3HG2 THR 73 1.465 29.248 -27.544 542 HG22 THR 73 1HG2 THR 73 1.950 28.842 -25.899 543 HG23 THR 73 2HG2 THR 73 2.692 28.014 -27.266 Start of MODEL 5 1 H1 GLY 1 H GLY 1 34.442 4.569 -6.744 2 HA2 GLY 1 2HA GLY 1 34.834 6.713 -5.576 3 HA3 GLY 1 3HA GLY 1 33.723 6.930 -6.919 4 HA PRO 2 HA PRO 2 31.858 8.253 -2.756 5 HB2 PRO 2 2HB PRO 2 31.930 10.938 -3.150 6 HB3 PRO 2 3HB PRO 2 33.243 10.045 -2.374 7 HG2 PRO 2 2HG PRO 2 33.012 10.994 -5.204 8 HG3 PRO 2 3HG PRO 2 34.411 11.051 -4.116 9 HD2 PRO 2 2HD PRO 2 34.136 9.164 -6.038 10 HD3 PRO 2 3HD PRO 2 34.955 8.844 -4.496 11 H SER 3 H SER 3 29.701 8.614 -2.595 12 HA SER 3 HA SER 3 28.262 9.170 -5.094 13 HB2 SER 3 2HB SER 3 27.516 7.110 -4.235 14 HB3 SER 3 3HB SER 3 27.510 7.702 -2.575 15 HG SER 3 HG SER 3 25.573 8.478 -2.864 16 H THR 4 H THR 4 26.489 10.614 -5.112 17 HA THR 4 HA THR 4 26.680 12.705 -3.052 18 HB THR 4 HB THR 4 25.697 14.232 -4.696 19 HG1 THR 4 HG1 THR 4 24.467 12.837 -5.949 20 HG21 THR 4 3HG2 THR 4 27.607 13.782 -6.528 21 HG22 THR 4 1HG2 THR 4 28.206 12.755 -5.225 22 HG23 THR 4 2HG2 THR 4 27.941 14.476 -4.941 23 H SER 5 H SER 5 24.706 13.794 -2.406 24 HA SER 5 HA SER 5 22.641 11.954 -1.755 25 HB2 SER 5 2HB SER 5 21.505 13.966 -0.787 26 HB3 SER 5 3HB SER 5 23.160 13.746 -0.219 27 HG SER 5 HG SER 5 22.069 15.787 -1.670 28 H MET 6 H MET 6 20.318 12.359 -2.199 29 HA MET 6 HA MET 6 19.463 13.926 -4.380 30 HB2 MET 6 2HB MET 6 20.722 12.353 -5.734 31 HB3 MET 6 3HB MET 6 19.914 10.994 -4.963 32 HG2 MET 6 2HG MET 6 18.016 11.254 -6.170 33 HG3 MET 6 3HG MET 6 18.199 13.002 -6.289 34 HE1 MET 6 3HE MET 6 19.964 9.812 -9.057 35 HE2 MET 6 1HE MET 6 20.627 9.937 -7.428 36 HE3 MET 6 2HE MET 6 18.918 9.565 -7.659 37 H GLU 7 H GLU 7 17.211 13.774 -4.745 38 HA GLU 7 HA GLU 7 15.715 11.873 -3.108 39 HB2 GLU 7 2HB GLU 7 14.237 13.812 -2.349 40 HB3 GLU 7 3HB GLU 7 15.809 13.658 -1.578 41 HG2 GLU 7 2HG GLU 7 16.562 15.599 -2.417 42 HG3 GLU 7 3HG GLU 7 15.750 15.369 -3.963 43 H ASN 8 H ASN 8 16.233 12.786 -6.036 44 HA ASN 8 HA ASN 8 13.481 12.373 -6.881 45 HB2 ASN 8 2HB ASN 8 14.977 14.590 -8.229 46 HB3 ASN 8 3HB ASN 8 13.240 14.308 -8.143 47 HD21 ASN 8 1HD2 ASN 8 12.187 14.686 -6.093 48 HD22 ASN 8 2HD2 ASN 8 12.815 15.894 -5.028 49 H LEU 9 H LEU 9 14.153 10.372 -7.660 50 HA LEU 9 HA LEU 9 16.289 10.275 -9.634 51 HB2 LEU 9 2HB LEU 9 15.891 7.847 -9.604 52 HB3 LEU 9 3HB LEU 9 16.236 8.508 -8.007 53 HG LEU 9 HG LEU 9 13.476 8.531 -8.130 54 HD11 LEU 9 1HD1 LEU 9 12.681 6.590 -9.076 55 HD12 LEU 9 2HD1 LEU 9 14.261 5.808 -9.066 56 HD13 LEU 9 3HD1 LEU 9 13.912 7.073 -10.244 57 HD21 LEU 9 3HD2 LEU 9 13.714 6.514 -6.623 58 HD22 LEU 9 1HD2 LEU 9 14.635 7.943 -6.158 59 HD23 LEU 9 2HD2 LEU 9 15.446 6.590 -6.946 60 H VAL 10 H VAL 10 13.406 11.433 -9.915 61 HA VAL 10 HA VAL 10 11.912 10.003 -11.734 62 HB VAL 10 HB VAL 10 11.248 12.178 -10.700 63 HG11 VAL 10 1HG1 VAL 10 12.181 14.163 -11.232 64 HG12 VAL 10 2HG1 VAL 10 13.564 13.155 -11.669 65 HG13 VAL 10 3HG1 VAL 10 12.445 13.708 -12.916 66 HG21 VAL 10 3HG2 VAL 10 10.028 11.135 -12.600 67 HG22 VAL 10 1HG2 VAL 10 9.879 12.891 -12.543 68 HG23 VAL 10 2HG2 VAL 10 10.971 12.136 -13.703 69 H SER 11 H SER 11 14.878 11.771 -12.243 70 HA SER 11 HA SER 11 14.708 11.758 -15.108 71 HB2 SER 11 2HB SER 11 16.306 13.044 -13.186 72 HB3 SER 11 3HB SER 11 17.411 12.036 -14.122 73 HG SER 11 HG SER 11 16.685 13.044 -15.995 74 H LEU 12 H LEU 12 16.305 9.794 -12.650 75 HA LEU 12 HA LEU 12 17.722 8.165 -14.521 76 HB2 LEU 12 2HB LEU 12 17.859 8.594 -11.819 77 HB3 LEU 12 3HB LEU 12 17.155 6.981 -11.908 78 HG LEU 12 HG LEU 12 19.410 7.144 -13.671 79 HD11 LEU 12 1HD1 LEU 12 20.104 8.968 -12.139 80 HD12 LEU 12 2HD1 LEU 12 21.180 7.571 -12.112 81 HD13 LEU 12 3HD1 LEU 12 20.027 7.820 -10.801 82 HD21 LEU 12 3HD2 LEU 12 18.568 5.067 -12.834 83 HD22 LEU 12 1HD2 LEU 12 18.794 5.590 -11.164 84 HD23 LEU 12 2HD2 LEU 12 20.197 5.295 -12.192 85 H GLN 13 H GLN 13 14.496 8.300 -13.524 86 HA GLN 13 HA GLN 13 13.654 5.675 -13.437 87 HB2 GLN 13 2HB GLN 13 12.321 8.170 -14.456 88 HB3 GLN 13 3HB GLN 13 11.494 6.618 -14.479 89 HG2 GLN 13 2HG GLN 13 11.804 6.435 -12.052 90 HG3 GLN 13 3HG GLN 13 12.582 8.016 -12.046 91 HE21 GLN 13 1HE2 GLN 13 10.743 8.243 -10.439 92 HE22 GLN 13 2HE2 GLN 13 9.253 8.856 -11.062 93 H ASN 14 H ASN 14 14.642 7.577 -16.183 94 HA ASN 14 HA ASN 14 15.078 5.360 -17.832 95 HB2 ASN 14 2HB ASN 14 13.262 5.891 -19.552 96 HB3 ASN 14 3HB ASN 14 12.749 5.047 -18.092 97 HD21 ASN 14 1HD2 ASN 14 11.448 6.083 -16.619 98 HD22 ASN 14 2HD2 ASN 14 10.668 7.588 -16.955 99 H LEU 15 H LEU 15 16.994 6.631 -17.998 100 HA LEU 15 HA LEU 15 17.195 8.142 -20.337 101 HB2 LEU 15 2HB LEU 15 16.352 9.636 -18.030 102 HB3 LEU 15 3HB LEU 15 17.933 10.195 -18.573 103 HG LEU 15 HG LEU 15 15.494 10.016 -20.339 104 HD11 LEU 15 1HD1 LEU 15 15.678 12.568 -20.152 105 HD12 LEU 15 2HD1 LEU 15 16.606 12.256 -18.685 106 HD13 LEU 15 3HD1 LEU 15 14.941 11.688 -18.813 107 HD21 LEU 15 3HD2 LEU 15 17.297 11.859 -21.350 108 HD22 LEU 15 1HD2 LEU 15 17.004 10.230 -21.960 109 HD23 LEU 15 2HD2 LEU 15 18.310 10.519 -20.810 110 H LEU 16 H LEU 16 19.054 7.087 -20.782 111 HA LEU 16 HA LEU 16 21.307 7.514 -18.932 112 HB2 LEU 16 2HB LEU 16 22.216 5.360 -19.949 113 HB3 LEU 16 3HB LEU 16 20.902 5.227 -18.783 114 HG LEU 16 HG LEU 16 19.950 5.365 -21.530 115 HD11 LEU 16 1HD1 LEU 16 21.719 3.055 -20.742 116 HD12 LEU 16 2HD1 LEU 16 22.053 4.237 -22.006 117 HD13 LEU 16 3HD1 LEU 16 20.693 3.127 -22.174 118 HD21 LEU 16 3HD2 LEU 16 18.399 3.882 -20.765 119 HD22 LEU 16 1HD2 LEU 16 18.899 4.586 -19.227 120 HD23 LEU 16 2HD2 LEU 16 19.553 3.030 -19.738 121 H VAL 17 H VAL 17 21.035 9.476 -20.619 122 HA VAL 17 HA VAL 17 22.556 8.905 -23.052 123 HB VAL 17 HB VAL 17 21.969 11.145 -23.779 124 HG11 VAL 17 1HG1 VAL 17 19.766 10.716 -24.284 125 HG12 VAL 17 2HG1 VAL 17 20.321 9.111 -23.805 126 HG13 VAL 17 3HG1 VAL 17 19.403 10.102 -22.670 127 HG21 VAL 17 3HG2 VAL 17 20.084 11.897 -21.766 128 HG22 VAL 17 1HG2 VAL 17 21.660 11.632 -21.020 129 HG23 VAL 17 2HG2 VAL 17 21.496 12.779 -22.350 130 H TYR 18 H TYR 18 23.902 11.137 -23.578 131 HA TYR 18 HA TYR 18 25.882 11.248 -21.412 132 HB2 TYR 18 2HB TYR 18 26.277 12.104 -24.280 133 HB3 TYR 18 3HB TYR 18 27.517 11.809 -23.066 134 HD1 TYR 18 HD2 TYR 18 27.271 9.308 -21.998 135 HD2 TYR 18 HD1 TYR 18 26.087 10.494 -25.910 136 HE1 TYR 18 HE2 TYR 18 27.465 6.977 -22.757 137 HE2 TYR 18 HE1 TYR 18 26.278 8.165 -26.679 138 HH TYR 18 HH TYR 18 26.855 6.090 -26.142 139 H VAL 19 H VAL 19 24.108 13.295 -23.695 140 HA VAL 19 HA VAL 19 25.135 15.762 -22.766 141 HB VAL 19 HB VAL 19 23.256 16.801 -23.945 142 HG11 VAL 19 1HG1 VAL 19 23.648 15.594 -26.201 143 HG12 VAL 19 2HG1 VAL 19 25.015 16.362 -25.392 144 HG13 VAL 19 3HG1 VAL 19 24.797 14.616 -25.289 145 HG21 VAL 19 3HG2 VAL 19 21.493 15.564 -24.938 146 HG22 VAL 19 1HG2 VAL 19 22.268 14.026 -24.560 147 HG23 VAL 19 2HG2 VAL 19 21.603 15.019 -23.265 148 H ASN 20 H ASN 20 22.980 13.567 -21.367 149 HA ASN 20 HA ASN 20 21.700 13.609 -19.488 150 HB2 ASN 20 2HB ASN 20 23.609 15.840 -19.099 151 HB3 ASN 20 3HB ASN 20 22.176 15.867 -18.077 152 HD21 ASN 20 1HD2 ASN 20 24.439 13.412 -19.291 153 HD22 ASN 20 2HD2 ASN 20 24.706 12.659 -17.759 154 H TRP 21 H TRP 21 19.974 13.952 -21.157 155 HA TRP 21 HA TRP 21 18.080 15.791 -20.248 156 HB2 TRP 21 2HB TRP 21 19.266 17.590 -21.202 157 HB3 TRP 21 3HB TRP 21 19.667 16.669 -22.650 158 HD1 TRP 21 HD1 TRP 21 16.281 17.658 -21.000 159 HE1 TRP 21 HE1 TRP 21 14.754 18.594 -22.850 160 HE3 TRP 21 HE3 TRP 21 19.474 17.250 -24.972 161 HZ2 TRP 21 HZ2 TRP 21 14.887 19.092 -25.624 162 HZ3 TRP 21 HZ3 TRP 21 18.696 17.978 -27.189 163 HH2 TRP 21 HH2 TRP 21 16.450 18.879 -27.507 164 H SER 22 H SER 22 18.811 15.043 -23.640 165 HA SER 22 HA SER 22 17.450 14.095 -25.234 166 HB2 SER 22 2HB SER 22 18.603 12.208 -23.631 167 HB3 SER 22 3HB SER 22 16.903 11.753 -23.529 168 HG SER 22 HG SER 22 17.751 10.719 -25.294 169 H SER 23 H SER 23 15.982 15.864 -23.631 170 HA SER 23 HA SER 23 13.823 16.485 -23.266 171 HB2 SER 23 2HB SER 23 12.778 13.912 -24.385 172 HB3 SER 23 3HB SER 23 12.150 15.550 -24.571 173 HG SER 23 HG SER 23 14.102 15.946 -25.850 174 H TYR 24 H TYR 24 12.851 16.486 -21.352 175 HA TYR 24 HA TYR 24 13.355 14.704 -19.318 176 HB2 TYR 24 2HB TYR 24 11.225 16.737 -19.798 177 HB3 TYR 24 3HB TYR 24 11.025 15.629 -18.445 178 HD1 TYR 24 HD1 TYR 24 14.267 16.928 -19.655 179 HD2 TYR 24 HD2 TYR 24 11.245 17.194 -16.673 180 HE1 TYR 24 HE1 TYR 24 15.748 18.340 -18.289 181 HE2 TYR 24 HE2 TYR 24 12.716 18.606 -15.298 182 HH TYR 24 HH TYR 24 15.214 18.977 -15.060 183 HA PRO 25 HA PRO 25 10.902 11.123 -19.969 184 HB2 PRO 25 2HB PRO 25 10.272 10.443 -17.417 185 HB3 PRO 25 3HB PRO 25 11.894 10.248 -18.091 186 HG2 PRO 25 2HG PRO 25 10.819 12.430 -16.346 187 HG3 PRO 25 3HG PRO 25 12.378 11.590 -16.254 188 HD2 PRO 25 2HD PRO 25 12.109 14.046 -17.362 189 HD3 PRO 25 3HD PRO 25 13.307 12.866 -17.933 190 H LYS 26 H LYS 26 8.852 10.784 -20.559 191 HA LYS 26 HA LYS 26 6.807 12.667 -19.810 192 HB2 LYS 26 2HB LYS 26 6.823 10.251 -21.615 193 HB3 LYS 26 3HB LYS 26 5.374 11.199 -21.311 194 HG2 LYS 26 2HG LYS 26 6.085 12.952 -22.562 195 HG3 LYS 26 3HG LYS 26 7.788 12.666 -22.196 196 HD2 LYS 26 2HD LYS 26 6.278 10.700 -23.865 197 HD3 LYS 26 3HD LYS 26 6.869 12.195 -24.593 198 HE2 LYS 26 2HE LYS 26 9.122 11.533 -23.477 199 HE3 LYS 26 3HE LYS 26 8.411 9.921 -23.407 200 HZ1 LYS 26 3HZ LYS 26 9.789 10.813 -25.487 201 HZ2 LYS 26 1HZ LYS 26 8.238 11.290 -25.966 202 HZ3 LYS 26 2HZ LYS 26 8.554 9.664 -25.627 203 H TYR 27 H TYR 27 4.708 12.036 -18.972 204 HA TYR 27 HA TYR 27 4.790 10.709 -16.566 205 HB2 TYR 27 2HB TYR 27 2.800 11.745 -16.555 206 HB3 TYR 27 3HB TYR 27 2.720 11.762 -18.313 207 HD1 TYR 27 HD1 TYR 27 2.176 9.527 -15.382 208 HD2 TYR 27 HD2 TYR 27 1.172 10.418 -19.420 209 HE1 TYR 27 HE1 TYR 27 0.406 7.822 -15.310 210 HE2 TYR 27 HE2 TYR 27 -0.601 8.715 -19.359 211 HH TYR 27 HH TYR 27 -1.811 7.362 -18.017 212 H GLU 28 H GLU 28 5.077 8.658 -16.029 213 HA GLU 28 HA GLU 28 4.257 6.574 -17.946 214 HB2 GLU 28 2HB GLU 28 6.815 7.078 -17.103 215 HB3 GLU 28 3HB GLU 28 6.305 5.827 -15.979 216 HG2 GLU 28 2HG GLU 28 5.455 4.830 -18.377 217 HG3 GLU 28 3HG GLU 28 6.952 5.652 -18.815 218 HA PRO 29 HA PRO 29 1.548 5.629 -14.478 219 HB2 PRO 29 2HB PRO 29 0.006 3.883 -15.871 220 HB3 PRO 29 3HB PRO 29 -0.186 5.636 -15.985 221 HG2 PRO 29 2HG PRO 29 1.241 3.762 -17.833 222 HG3 PRO 29 3HG PRO 29 0.170 5.120 -18.225 223 HD2 PRO 29 2HD PRO 29 2.868 5.310 -18.345 224 HD3 PRO 29 3HD PRO 29 1.833 6.685 -17.910 225 H GLY 30 H GLY 30 2.000 4.187 -12.938 226 HA2 GLY 30 2HA GLY 30 2.120 1.911 -12.183 227 HA3 GLY 30 3HA GLY 30 2.816 1.475 -13.737 228 H LYS 31 H LYS 31 3.956 4.334 -12.176 229 HA LYS 31 HA LYS 31 6.261 2.920 -11.054 230 HB2 LYS 31 2HB LYS 31 7.151 3.485 -13.155 231 HB3 LYS 31 3HB LYS 31 6.341 5.046 -13.178 232 HG2 LYS 31 2HG LYS 31 7.938 6.052 -11.921 233 HG3 LYS 31 3HG LYS 31 8.317 4.581 -11.024 234 HD2 LYS 31 2HD LYS 31 9.015 4.083 -13.704 235 HD3 LYS 31 3HD LYS 31 9.626 5.694 -13.321 236 HE2 LYS 31 2HE LYS 31 11.341 4.142 -12.767 237 HE3 LYS 31 3HE LYS 31 10.646 4.711 -11.251 238 HZ1 LYS 31 3HZ LYS 31 10.687 2.481 -10.872 239 HZ2 LYS 31 1HZ LYS 31 10.474 2.069 -12.500 240 HZ3 LYS 31 2HZ LYS 31 9.155 2.597 -11.582 241 H GLU 32 H GLU 32 6.463 3.545 -9.017 242 HA GLU 32 HA GLU 32 5.092 5.534 -7.732 243 HB2 GLU 32 2HB GLU 32 7.332 3.823 -7.124 244 HB3 GLU 32 3HB GLU 32 7.573 5.413 -6.413 245 HG2 GLU 32 2HG GLU 32 6.480 3.961 -4.837 246 HG3 GLU 32 3HG GLU 32 5.383 5.251 -5.327 247 H TYR 33 H TYR 33 5.411 7.670 -7.224 248 HA TYR 33 HA TYR 33 7.674 9.021 -8.536 249 HB2 TYR 33 2HB TYR 33 4.763 9.810 -8.537 250 HB3 TYR 33 3HB TYR 33 6.049 10.954 -8.906 251 HD1 TYR 33 HD2 TYR 33 7.710 10.202 -10.792 252 HD2 TYR 33 HD1 TYR 33 3.809 8.591 -10.261 253 HE1 TYR 33 HE2 TYR 33 7.706 9.457 -13.136 254 HE2 TYR 33 HE1 TYR 33 3.793 7.841 -12.602 255 HH TYR 33 HH TYR 33 6.217 7.352 -14.392 256 H ASN 34 H ASN 34 8.927 9.693 -6.916 257 HA ASN 34 HA ASN 34 7.869 10.409 -4.344 258 HB2 ASN 34 2HB ASN 34 10.679 10.989 -5.235 259 HB3 ASN 34 3HB ASN 34 10.094 10.571 -3.627 260 HD21 ASN 34 1HD2 ASN 34 10.214 8.526 -2.996 261 HD22 ASN 34 2HD2 ASN 34 10.596 7.183 -4.015 262 H GLN 35 H GLN 35 8.211 12.477 -3.308 263 HA GLN 35 HA GLN 35 7.180 14.633 -4.683 264 HB2 GLN 35 2HB GLN 35 7.670 15.952 -2.795 265 HB3 GLN 35 3HB GLN 35 7.440 14.327 -2.166 266 HG2 GLN 35 2HG GLN 35 9.860 14.019 -2.070 267 HG3 GLN 35 3HG GLN 35 10.091 15.647 -2.702 268 HE21 GLN 35 1HE2 GLN 35 8.319 14.003 -0.101 269 HE22 GLN 35 2HE2 GLN 35 8.675 15.178 1.115 270 H GLY 36 H GLY 36 7.968 16.236 -5.935 271 HA2 GLY 36 2HA GLY 36 9.655 17.709 -6.720 272 HA3 GLY 36 3HA GLY 36 10.873 16.586 -6.133 273 H ASP 37 H ASP 37 9.197 14.373 -7.423 274 HA ASP 37 HA ASP 37 10.696 14.110 -9.771 275 HB2 ASP 37 2HB ASP 37 8.137 12.782 -8.880 276 HB3 ASP 37 3HB ASP 37 8.988 12.328 -10.353 277 H ILE 38 H ILE 38 10.441 14.821 -11.796 278 HA ILE 38 HA ILE 38 7.914 16.185 -12.464 279 HB ILE 38 HB ILE 38 10.691 16.866 -13.434 280 HG12 ILE 38 2HG1 ILE 38 8.810 18.460 -11.682 281 HG13 ILE 38 3HG1 ILE 38 10.172 17.523 -11.080 282 HG21 ILE 38 1HG2 ILE 38 9.033 18.945 -14.113 283 HG22 ILE 38 2HG2 ILE 38 9.611 17.690 -15.207 284 HG23 ILE 38 3HG2 ILE 38 8.036 17.527 -14.433 285 HD11 ILE 38 3HD1 ILE 38 11.646 19.099 -11.639 286 HD12 ILE 38 1HD1 ILE 38 10.872 19.412 -13.193 287 HD13 ILE 38 2HD1 ILE 38 10.241 20.160 -11.725 288 H VAL 39 H VAL 39 6.945 15.723 -14.379 289 HA VAL 39 HA VAL 39 8.357 14.061 -16.328 290 HB VAL 39 HB VAL 39 6.650 12.410 -16.474 291 HG11 VAL 39 1HG1 VAL 39 7.355 12.946 -13.591 292 HG12 VAL 39 2HG1 VAL 39 6.670 11.433 -14.189 293 HG13 VAL 39 3HG1 VAL 39 8.259 11.963 -14.744 294 HG21 VAL 39 3HG2 VAL 39 4.763 12.593 -14.639 295 HG22 VAL 39 1HG2 VAL 39 5.107 14.316 -14.790 296 HG23 VAL 39 2HG2 VAL 39 4.599 13.390 -16.203 297 H GLU 40 H GLU 40 7.543 14.186 -18.434 298 HA GLU 40 HA GLU 40 6.017 16.592 -18.968 299 HB2 GLU 40 2HB GLU 40 7.977 16.213 -20.320 300 HB3 GLU 40 3HB GLU 40 7.401 14.620 -20.788 301 HG2 GLU 40 2HG GLU 40 5.514 15.671 -21.964 302 HG3 GLU 40 3HG GLU 40 6.159 17.256 -21.540 303 H TYR 41 H TYR 41 4.006 16.702 -19.856 304 HA TYR 41 HA TYR 41 2.658 14.252 -20.679 305 HB2 TYR 41 2HB TYR 41 2.218 14.459 -18.251 306 HB3 TYR 41 3HB TYR 41 1.531 16.056 -18.526 307 HD1 TYR 41 HD1 TYR 41 1.069 12.447 -19.197 308 HD2 TYR 41 HD2 TYR 41 -0.708 16.312 -19.269 309 HE1 TYR 41 HE1 TYR 41 -1.130 11.422 -19.596 310 HE2 TYR 41 HE2 TYR 41 -2.912 15.298 -19.667 311 HH TYR 41 HH TYR 41 -4.076 13.362 -19.666 312 H ASN 42 H ASN 42 1.825 14.701 -22.598 313 HA ASN 42 HA ASN 42 0.909 15.820 -24.358 314 HB2 ASN 42 2HB ASN 42 -0.903 15.880 -22.409 315 HB3 ASN 42 3HB ASN 42 -0.610 17.613 -22.522 316 HD21 ASN 42 1HD2 ASN 42 -2.948 15.911 -23.213 317 HD22 ASN 42 2HD2 ASN 42 -3.324 16.313 -24.851 318 H GLY 43 H GLY 43 3.397 16.828 -23.443 319 HA2 GLY 43 2HA GLY 43 4.755 18.585 -24.092 320 HA3 GLY 43 3HA GLY 43 3.331 19.413 -24.702 321 H LYS 44 H LYS 44 3.260 18.275 -21.450 322 HA LYS 44 HA LYS 44 3.641 21.040 -20.502 323 HB2 LYS 44 2HB LYS 44 1.895 18.888 -19.291 324 HB3 LYS 44 3HB LYS 44 2.063 20.537 -18.704 325 HG2 LYS 44 2HG LYS 44 1.315 20.997 -21.257 326 HG3 LYS 44 3HG LYS 44 0.482 19.474 -20.939 327 HD2 LYS 44 2HD LYS 44 -0.968 20.431 -19.514 328 HD3 LYS 44 3HD LYS 44 0.278 21.435 -18.770 329 HE2 LYS 44 2HE LYS 44 -0.149 23.186 -20.124 330 HE3 LYS 44 3HE LYS 44 -0.433 22.160 -21.530 331 HZ1 LYS 44 3HZ LYS 44 -2.419 22.169 -19.371 332 HZ2 LYS 44 1HZ LYS 44 -2.635 21.925 -21.031 333 HZ3 LYS 44 2HZ LYS 44 -2.375 23.486 -20.433 334 H LEU 45 H LEU 45 3.904 20.820 -17.894 335 HA LEU 45 HA LEU 45 5.814 18.714 -17.255 336 HB2 LEU 45 2HB LEU 45 6.462 21.603 -17.525 337 HB3 LEU 45 3HB LEU 45 7.226 20.699 -16.219 338 HG LEU 45 HG LEU 45 7.436 20.068 -19.163 339 HD11 LEU 45 1HD1 LEU 45 8.716 22.054 -17.766 340 HD12 LEU 45 2HD1 LEU 45 9.300 21.293 -19.246 341 HD13 LEU 45 3HD1 LEU 45 9.858 20.713 -17.678 342 HD21 LEU 45 3HD2 LEU 45 9.328 18.582 -18.191 343 HD22 LEU 45 1HD2 LEU 45 7.661 18.006 -18.142 344 HD23 LEU 45 2HD2 LEU 45 8.401 18.686 -16.693 345 H TYR 46 H TYR 46 4.993 17.878 -15.458 346 HA TYR 46 HA TYR 46 3.924 19.714 -13.415 347 HB2 TYR 46 2HB TYR 46 3.209 16.814 -13.892 348 HB3 TYR 46 3HB TYR 46 2.528 17.848 -12.641 349 HD1 TYR 46 HD1 TYR 46 0.977 19.658 -13.231 350 HD2 TYR 46 HD2 TYR 46 2.493 16.993 -16.183 351 HE1 TYR 46 HE1 TYR 46 -0.783 20.388 -14.787 352 HE2 TYR 46 HE2 TYR 46 0.738 17.717 -17.746 353 HH TYR 46 HH TYR 46 -1.447 20.361 -16.960 354 H LYS 47 H LYS 47 4.267 19.124 -11.185 355 HA LYS 47 HA LYS 47 6.558 17.337 -10.737 356 HB2 LYS 47 2HB LYS 47 7.450 19.587 -10.753 357 HB3 LYS 47 3HB LYS 47 6.206 20.129 -9.634 358 HG2 LYS 47 2HG LYS 47 7.242 19.232 -7.826 359 HG3 LYS 47 3HG LYS 47 7.944 17.901 -8.749 360 HD2 LYS 47 2HD LYS 47 9.851 19.081 -8.467 361 HD3 LYS 47 3HD LYS 47 9.246 19.980 -9.860 362 HE2 LYS 47 2HE LYS 47 8.161 21.568 -8.276 363 HE3 LYS 47 3HE LYS 47 8.948 20.714 -6.949 364 HZ1 LYS 47 3HZ LYS 47 10.720 21.547 -9.077 365 HZ2 LYS 47 1HZ LYS 47 10.912 21.661 -7.400 366 HZ3 LYS 47 2HZ LYS 47 9.999 22.820 -8.227 367 H ALA 48 H ALA 48 5.964 15.788 -9.384 368 HA ALA 48 HA ALA 48 3.603 15.773 -7.885 369 HB1 ALA 48 1HB ALA 48 4.130 13.628 -7.695 370 HB2 ALA 48 2HB ALA 48 5.689 13.967 -8.446 371 HB3 ALA 48 3HB ALA 48 5.525 14.026 -6.691 372 H LYS 49 H LYS 49 3.106 16.979 -6.186 373 HA LYS 49 HA LYS 49 4.916 18.503 -4.696 374 HB2 LYS 49 2HB LYS 49 2.217 17.562 -3.726 375 HB3 LYS 49 3HB LYS 49 3.079 19.017 -3.244 376 HG2 LYS 49 2HG LYS 49 2.892 19.684 -5.725 377 HG3 LYS 49 3HG LYS 49 1.644 18.438 -5.802 378 HD2 LYS 49 2HD LYS 49 0.161 19.693 -4.676 379 HD3 LYS 49 3HD LYS 49 1.374 20.251 -3.520 380 HE2 LYS 49 2HE LYS 49 1.120 21.288 -6.339 381 HE3 LYS 49 3HE LYS 49 0.374 22.053 -4.936 382 HZ1 LYS 49 3HZ LYS 49 2.456 23.117 -5.441 383 HZ2 LYS 49 1HZ LYS 49 3.282 21.642 -5.375 384 HZ3 LYS 49 2HZ LYS 49 2.602 22.293 -3.970 385 H TYR 50 H TYR 50 3.334 15.420 -3.902 386 HA TYR 50 HA TYR 50 5.540 14.826 -2.075 387 HB2 TYR 50 2HB TYR 50 4.144 14.252 -0.249 388 HB3 TYR 50 3HB TYR 50 3.567 15.818 -0.807 389 HD1 TYR 50 HD2 TYR 50 1.691 15.542 -2.764 390 HD2 TYR 50 HD1 TYR 50 2.516 12.737 0.327 391 HE1 TYR 50 HE2 TYR 50 -0.579 14.626 -2.998 392 HE2 TYR 50 HE1 TYR 50 0.248 11.811 0.100 393 HH TYR 50 HH TYR 50 -1.599 11.766 -1.211 394 H TRP 51 H TRP 51 5.257 12.475 -1.240 395 HA TRP 51 HA TRP 51 5.481 10.726 -3.359 396 HB2 TRP 51 2HB TRP 51 5.864 10.516 -0.687 397 HB3 TRP 51 3HB TRP 51 4.400 9.555 -0.866 398 HD1 TRP 51 HD1 TRP 51 7.991 9.701 -2.318 399 HE1 TRP 51 HE1 TRP 51 8.691 7.303 -2.940 400 HE3 TRP 51 HE3 TRP 51 3.614 7.276 -1.266 401 HZ2 TRP 51 HZ2 TRP 51 7.542 4.726 -2.980 402 HZ3 TRP 51 HZ3 TRP 51 3.498 4.845 -1.625 403 HH2 TRP 51 HH2 TRP 51 5.422 3.598 -2.464 404 H THR 52 H THR 52 4.015 10.253 -4.850 405 HA THR 52 HA THR 52 1.476 9.132 -4.103 406 HB THR 52 HB THR 52 1.381 11.623 -5.805 407 HG1 THR 52 HG1 THR 52 1.415 12.714 -4.002 408 HG21 THR 52 3HG2 THR 52 -0.601 10.676 -6.307 409 HG22 THR 52 1HG2 THR 52 -1.087 11.251 -4.713 410 HG23 THR 52 2HG2 THR 52 -0.544 9.587 -4.922 411 H THR 53 H THR 53 0.369 8.153 -5.878 412 HA THR 53 HA THR 53 1.956 7.956 -8.352 413 HB THR 53 HB THR 53 1.540 5.578 -8.493 414 HG1 THR 53 HG1 THR 53 0.487 4.521 -6.709 415 HG21 THR 53 3HG2 THR 53 3.306 6.729 -6.783 416 HG22 THR 53 1HG2 THR 53 3.233 4.998 -7.115 417 HG23 THR 53 2HG2 THR 53 2.432 5.657 -5.688 418 H SER 54 H SER 54 0.732 8.891 -9.862 419 HA SER 54 HA SER 54 -1.633 7.767 -10.807 420 HB2 SER 54 2HB SER 54 -3.107 8.529 -9.263 421 HB3 SER 54 3HB SER 54 -1.996 9.763 -8.671 422 HG SER 54 HG SER 54 -4.086 10.156 -10.160 423 HA PRO 55 HA PRO 55 -0.528 10.300 -14.220 424 HB2 PRO 55 2HB PRO 55 -2.882 10.372 -15.569 425 HB3 PRO 55 3HB PRO 55 -1.860 8.931 -15.498 426 HG2 PRO 55 2HG PRO 55 -4.303 9.600 -13.902 427 HG3 PRO 55 3HG PRO 55 -3.844 8.062 -14.654 428 HD2 PRO 55 2HD PRO 55 -3.505 8.550 -12.013 429 HD3 PRO 55 3HD PRO 55 -2.407 7.507 -12.939 430 HA PRO 56 HA PRO 56 -1.628 14.476 -13.344 431 HB2 PRO 56 2HB PRO 56 -1.074 15.618 -15.745 432 HB3 PRO 56 3HB PRO 56 0.183 15.075 -14.626 433 HG2 PRO 56 2HG PRO 56 -0.916 13.706 -17.051 434 HG3 PRO 56 3HG PRO 56 0.769 13.856 -16.518 435 HD2 PRO 56 2HD PRO 56 -0.689 11.610 -16.120 436 HD3 PRO 56 3HD PRO 56 0.570 12.144 -14.988 437 H SER 57 H SER 57 -3.482 15.594 -13.308 438 HA SER 57 HA SER 57 -5.142 16.145 -15.476 439 HB2 SER 57 2HB SER 57 -7.112 14.637 -14.612 440 HB3 SER 57 3HB SER 57 -5.908 13.967 -15.713 441 HG SER 57 HG SER 57 -5.181 12.716 -14.169 442 H ASP 58 H ASP 58 -6.013 15.014 -12.215 443 HA ASP 58 HA ASP 58 -6.552 17.781 -11.426 444 HB2 ASP 58 2HB ASP 58 -8.567 15.789 -11.990 445 HB3 ASP 58 3HB ASP 58 -8.648 16.289 -10.302 446 H ASP 59 H ASP 59 -5.465 18.132 -9.618 447 HA ASP 59 HA ASP 59 -5.075 15.894 -7.744 448 HB2 ASP 59 2HB ASP 59 -3.232 17.617 -6.894 449 HB3 ASP 59 3HB ASP 59 -2.918 16.500 -8.219 450 HA PRO 60 HA PRO 60 -7.972 18.741 -5.571 451 HB2 PRO 60 2HB PRO 60 -9.347 16.748 -4.344 452 HB3 PRO 60 3HB PRO 60 -9.716 17.304 -5.981 453 HG2 PRO 60 2HG PRO 60 -8.131 14.921 -5.103 454 HG3 PRO 60 3HG PRO 60 -9.339 15.047 -6.395 455 HD2 PRO 60 2HD PRO 60 -6.675 15.081 -6.881 456 HD3 PRO 60 3HD PRO 60 -7.839 15.979 -7.877 457 H TYR 61 H TYR 61 -5.623 16.445 -4.671 458 HA TYR 61 HA TYR 61 -5.781 17.287 -1.853 459 HB2 TYR 61 2HB TYR 61 -4.101 15.156 -1.791 460 HB3 TYR 61 3HB TYR 61 -5.841 15.044 -1.547 461 HD1 TYR 61 HD2 TYR 61 -3.175 14.719 -4.106 462 HD2 TYR 61 HD1 TYR 61 -7.190 13.810 -3.029 463 HE1 TYR 61 HE2 TYR 61 -3.340 13.197 -6.031 464 HE2 TYR 61 HE1 TYR 61 -7.366 12.284 -4.951 465 HH TYR 61 HH TYR 61 -5.052 12.204 -7.451 466 H GLY 62 H GLY 62 -4.137 17.844 -4.661 467 HA2 GLY 62 2HA GLY 62 -2.277 19.187 -5.003 468 HA3 GLY 62 3HA GLY 62 -1.996 19.183 -3.269 469 H SER 63 H SER 63 -2.152 16.573 -5.686 470 HA SER 63 HA SER 63 0.303 15.461 -4.571 471 HB2 SER 63 2HB SER 63 -1.348 13.800 -4.851 472 HB3 SER 63 3HB SER 63 -1.803 14.399 -6.445 473 HG SER 63 HG SER 63 -0.408 13.052 -7.222 474 H TRP 64 H TRP 64 -0.598 17.516 -7.050 475 HA TRP 64 HA TRP 64 1.996 17.141 -8.359 476 HB2 TRP 64 2HB TRP 64 -0.697 17.102 -9.682 477 HB3 TRP 64 3HB TRP 64 0.707 17.700 -10.559 478 HD1 TRP 64 HD1 TRP 64 -1.044 14.543 -9.631 479 HE1 TRP 64 HE1 TRP 64 0.316 12.511 -10.430 480 HE3 TRP 64 HE3 TRP 64 3.323 16.914 -10.836 481 HZ2 TRP 64 HZ2 TRP 64 2.900 11.981 -11.438 482 HZ3 TRP 64 HZ3 TRP 64 5.189 15.571 -11.711 483 HH2 TRP 64 HH2 TRP 64 4.981 13.157 -12.005 484 H GLU 65 H GLU 65 2.660 19.026 -9.643 485 HA GLU 65 HA GLU 65 1.258 21.515 -9.071 486 HB2 GLU 65 2HB GLU 65 2.908 21.040 -7.195 487 HB3 GLU 65 3HB GLU 65 4.183 21.244 -8.388 488 HG2 GLU 65 2HG GLU 65 3.187 23.525 -8.856 489 HG3 GLU 65 3HG GLU 65 2.226 23.289 -7.397 490 H TYR 66 H TYR 66 0.973 22.211 -11.095 491 HA TYR 66 HA TYR 66 2.736 21.674 -13.242 492 HB2 TYR 66 2HB TYR 66 0.485 22.082 -13.824 493 HB3 TYR 66 3HB TYR 66 0.424 23.572 -12.889 494 HD1 TYR 66 HD1 TYR 66 1.372 25.637 -13.773 495 HD2 TYR 66 HD2 TYR 66 1.447 22.041 -16.046 496 HE1 TYR 66 HE1 TYR 66 1.908 26.933 -15.794 497 HE2 TYR 66 HE2 TYR 66 1.984 23.326 -18.073 498 HH TYR 66 HH TYR 66 2.049 26.852 -18.049 499 H LEU 67 H LEU 67 4.715 22.480 -13.417 500 HA LEU 67 HA LEU 67 5.332 25.103 -12.296 501 HB2 LEU 67 2HB LEU 67 7.256 23.215 -13.623 502 HB3 LEU 67 3HB LEU 67 7.613 24.520 -12.493 503 HG LEU 67 HG LEU 67 6.096 22.035 -11.720 504 HD11 LEU 67 1HD1 LEU 67 8.511 21.768 -10.540 505 HD12 LEU 67 2HD1 LEU 67 8.978 22.486 -12.081 506 HD13 LEU 67 3HD1 LEU 67 8.054 20.985 -12.053 507 HD21 LEU 67 3HD2 LEU 67 5.794 23.093 -9.794 508 HD22 LEU 67 1HD2 LEU 67 6.627 24.511 -10.431 509 HD23 LEU 67 2HD2 LEU 67 7.541 23.249 -9.604 510 H GLY 68 H GLY 68 4.860 23.531 -15.347 511 HA2 GLY 68 2HA GLY 68 4.491 25.803 -16.843 512 HA3 GLY 68 3HA GLY 68 6.216 25.482 -16.943 513 H GLU 69 H GLU 69 5.600 25.323 -19.277 514 HA GLU 69 HA GLU 69 4.419 22.724 -19.955 515 HB2 GLU 69 2HB GLU 69 4.101 25.274 -21.062 516 HB3 GLU 69 3HB GLU 69 5.078 24.394 -22.228 517 HG2 GLU 69 2HG GLU 69 3.215 23.502 -23.012 518 HG3 GLU 69 3HG GLU 69 3.060 22.620 -21.493 519 H ALA 70 H ALA 70 5.437 21.415 -21.605 520 HA ALA 70 HA ALA 70 8.077 20.793 -21.114 521 HB1 ALA 70 1HB ALA 70 7.942 19.728 -23.483 522 HB2 ALA 70 2HB ALA 70 6.902 19.123 -22.191 523 HB3 ALA 70 3HB ALA 70 6.250 20.221 -23.407 524 H GLU 71 H GLU 71 6.770 22.797 -23.744 525 HA GLU 71 HA GLU 71 9.505 23.779 -24.234 526 HB2 GLU 71 2HB GLU 71 7.585 22.710 -26.036 527 HB3 GLU 71 3HB GLU 71 7.759 24.420 -26.404 528 HG2 GLU 71 2HG GLU 71 10.195 24.108 -26.576 529 HG3 GLU 71 3HG GLU 71 9.972 22.384 -26.287 530 HA PRO 72 HA PRO 72 7.607 27.497 -22.533 531 HB2 PRO 72 2HB PRO 72 9.960 28.805 -22.191 532 HB3 PRO 72 3HB PRO 72 9.367 27.584 -21.060 533 HG2 PRO 72 2HG PRO 72 11.387 27.312 -23.252 534 HG3 PRO 72 3HG PRO 72 11.432 26.664 -21.603 535 HD2 PRO 72 2HD PRO 72 10.745 25.154 -23.742 536 HD3 PRO 72 3HD PRO 72 10.058 24.890 -22.127 537 H THR 73 H THR 73 7.271 29.584 -23.323 538 HA THR 73 HA THR 73 7.676 29.900 -26.148 539 HB THR 73 HB THR 73 6.712 32.214 -24.569 540 HG1 THR 73 HG1 THR 73 4.689 31.170 -24.212 541 HG21 THR 73 3HG2 THR 73 5.463 30.775 -26.905 542 HG22 THR 73 1HG2 THR 73 6.703 32.014 -27.085 543 HG23 THR 73 2HG2 THR 73 5.149 32.421 -26.356 Start of MODEL 6 1 H1 GLY 1 H GLY 1 36.647 7.236 -8.061 2 HA2 GLY 1 2HA GLY 1 34.184 7.757 -8.552 3 HA3 GLY 1 3HA GLY 1 34.538 6.104 -8.069 4 HA PRO 2 HA PRO 2 32.834 8.348 -4.128 5 HB2 PRO 2 2HB PRO 2 31.746 10.804 -4.521 6 HB3 PRO 2 3HB PRO 2 33.449 10.562 -4.114 7 HG2 PRO 2 2HG PRO 2 32.191 11.064 -6.784 8 HG3 PRO 2 3HG PRO 2 33.670 11.759 -6.096 9 HD2 PRO 2 2HD PRO 2 33.710 9.728 -7.887 10 HD3 PRO 2 3HD PRO 2 34.932 9.900 -6.611 11 H SER 3 H SER 3 30.663 8.470 -3.330 12 HA SER 3 HA SER 3 28.640 7.877 -5.388 13 HB2 SER 3 2HB SER 3 28.473 6.966 -2.520 14 HB3 SER 3 3HB SER 3 27.603 6.341 -3.922 15 HG SER 3 HG SER 3 29.166 4.899 -3.780 16 H THR 4 H THR 4 27.022 9.270 -5.571 17 HA THR 4 HA THR 4 26.419 11.031 -3.285 18 HB THR 4 HB THR 4 25.456 12.225 -5.671 19 HG1 THR 4 HG1 THR 4 28.052 11.120 -5.863 20 HG21 THR 4 3HG2 THR 4 27.790 12.916 -3.882 21 HG22 THR 4 1HG2 THR 4 26.119 13.437 -3.671 22 HG23 THR 4 2HG2 THR 4 27.052 14.006 -5.056 23 H SER 5 H SER 5 24.425 10.908 -2.495 24 HA SER 5 HA SER 5 22.482 9.193 -3.749 25 HB2 SER 5 2HB SER 5 21.149 9.553 -1.755 26 HB3 SER 5 3HB SER 5 22.823 9.266 -1.279 27 HG SER 5 HG SER 5 23.057 11.544 -1.082 28 H MET 6 H MET 6 20.067 10.234 -3.324 29 HA MET 6 HA MET 6 19.785 12.942 -4.166 30 HB2 MET 6 2HB MET 6 19.006 12.657 -6.384 31 HB3 MET 6 3HB MET 6 20.509 11.747 -6.283 32 HG2 MET 6 2HG MET 6 18.598 9.888 -5.604 33 HG3 MET 6 3HG MET 6 17.814 10.843 -6.860 34 HE1 MET 6 3HE MET 6 19.176 7.801 -6.307 35 HE2 MET 6 1HE MET 6 18.199 7.814 -7.776 36 HE3 MET 6 2HE MET 6 19.882 7.290 -7.841 37 H GLU 7 H GLU 7 17.304 12.933 -5.285 38 HA GLU 7 HA GLU 7 15.567 11.249 -3.670 39 HB2 GLU 7 2HB GLU 7 15.596 14.262 -3.462 40 HB3 GLU 7 3HB GLU 7 14.280 13.254 -2.875 41 HG2 GLU 7 2HG GLU 7 15.948 12.085 -1.419 42 HG3 GLU 7 3HG GLU 7 17.122 13.309 -1.897 43 H ASN 8 H ASN 8 16.268 11.993 -6.566 44 HA ASN 8 HA ASN 8 13.513 11.975 -7.500 45 HB2 ASN 8 2HB ASN 8 15.351 13.865 -8.907 46 HB3 ASN 8 3HB ASN 8 13.594 13.890 -8.788 47 HD21 ASN 8 1HD2 ASN 8 12.658 14.532 -6.750 48 HD22 ASN 8 2HD2 ASN 8 13.505 15.651 -5.741 49 H LEU 9 H LEU 9 13.971 9.834 -8.115 50 HA LEU 9 HA LEU 9 16.079 9.377 -10.071 51 HB2 LEU 9 2HB LEU 9 15.582 7.047 -9.833 52 HB3 LEU 9 3HB LEU 9 15.694 7.776 -8.233 53 HG LEU 9 HG LEU 9 12.974 7.858 -8.951 54 HD11 LEU 9 1HD1 LEU 9 12.670 5.316 -9.172 55 HD12 LEU 9 2HD1 LEU 9 14.337 5.311 -9.744 56 HD13 LEU 9 3HD1 LEU 9 13.111 6.235 -10.611 57 HD21 LEU 9 3HD2 LEU 9 12.692 6.497 -7.016 58 HD22 LEU 9 1HD2 LEU 9 14.045 7.585 -6.704 59 HD23 LEU 9 2HD2 LEU 9 14.349 5.898 -7.122 60 H VAL 10 H VAL 10 13.342 10.833 -10.429 61 HA VAL 10 HA VAL 10 11.691 9.469 -12.165 62 HB VAL 10 HB VAL 10 11.291 11.770 -11.256 63 HG11 VAL 10 1HG1 VAL 10 13.674 12.430 -12.295 64 HG12 VAL 10 2HG1 VAL 10 12.621 12.984 -13.598 65 HG13 VAL 10 3HG1 VAL 10 12.405 13.608 -11.962 66 HG21 VAL 10 3HG2 VAL 10 9.978 10.691 -13.120 67 HG22 VAL 10 1HG2 VAL 10 9.914 12.452 -13.062 68 HG23 VAL 10 2HG2 VAL 10 10.944 11.646 -14.244 69 H SER 11 H SER 11 14.835 10.854 -12.763 70 HA SER 11 HA SER 11 14.695 10.808 -15.606 71 HB2 SER 11 2HB SER 11 16.334 12.115 -14.094 72 HB3 SER 11 3HB SER 11 17.259 10.614 -14.039 73 HG SER 11 HG SER 11 17.712 10.792 -16.140 74 H LEU 12 H LEU 12 15.976 8.573 -13.176 75 HA LEU 12 HA LEU 12 17.124 6.710 -14.917 76 HB2 LEU 12 2HB LEU 12 16.587 6.925 -12.140 77 HB3 LEU 12 3HB LEU 12 16.002 5.353 -12.680 78 HG LEU 12 HG LEU 12 18.245 5.125 -11.848 79 HD11 LEU 12 1HD1 LEU 12 18.404 5.037 -14.850 80 HD12 LEU 12 2HD1 LEU 12 17.513 3.856 -13.891 81 HD13 LEU 12 3HD1 LEU 12 19.257 4.024 -13.685 82 HD21 LEU 12 3HD2 LEU 12 19.167 7.277 -12.002 83 HD22 LEU 12 1HD2 LEU 12 18.844 7.386 -13.732 84 HD23 LEU 12 2HD2 LEU 12 20.104 6.304 -13.137 85 H GLN 13 H GLN 13 13.833 7.403 -14.230 86 HA GLN 13 HA GLN 13 12.649 4.917 -14.788 87 HB2 GLN 13 2HB GLN 13 11.488 7.651 -15.344 88 HB3 GLN 13 3HB GLN 13 10.593 6.152 -15.134 89 HG2 GLN 13 2HG GLN 13 11.588 6.061 -12.801 90 HG3 GLN 13 3HG GLN 13 12.090 7.730 -13.069 91 HE21 GLN 13 1HE2 GLN 13 10.664 7.912 -11.111 92 HE22 GLN 13 2HE2 GLN 13 8.988 8.226 -11.391 93 H ASN 14 H ASN 14 14.250 7.133 -16.818 94 HA ASN 14 HA ASN 14 13.926 5.465 -19.101 95 HB2 ASN 14 2HB ASN 14 11.886 7.335 -18.756 96 HB3 ASN 14 3HB ASN 14 12.960 8.075 -19.939 97 HD21 ASN 14 1HD2 ASN 14 11.007 5.261 -19.220 98 HD22 ASN 14 2HD2 ASN 14 10.818 4.738 -20.856 99 H LEU 15 H LEU 15 15.748 5.608 -20.232 100 HA LEU 15 HA LEU 15 17.704 6.377 -21.100 101 HB2 LEU 15 2HB LEU 15 15.934 8.417 -21.472 102 HB3 LEU 15 3HB LEU 15 17.209 9.217 -20.556 103 HG LEU 15 HG LEU 15 18.836 8.443 -22.281 104 HD11 LEU 15 1HD1 LEU 15 17.059 6.635 -23.031 105 HD12 LEU 15 2HD1 LEU 15 18.238 7.304 -24.159 106 HD13 LEU 15 3HD1 LEU 15 16.585 7.919 -24.144 107 HD21 LEU 15 3HD2 LEU 15 16.743 9.987 -23.722 108 HD22 LEU 15 1HD2 LEU 15 18.478 10.279 -23.591 109 HD23 LEU 15 2HD2 LEU 15 17.414 10.665 -22.238 110 H LEU 16 H LEU 16 19.772 7.112 -20.449 111 HA LEU 16 HA LEU 16 19.964 7.838 -17.599 112 HB2 LEU 16 2HB LEU 16 20.620 5.450 -18.302 113 HB3 LEU 16 3HB LEU 16 22.035 6.208 -19.030 114 HG LEU 16 HG LEU 16 22.491 7.174 -16.706 115 HD11 LEU 16 1HD1 LEU 16 20.834 6.856 -15.242 116 HD12 LEU 16 2HD1 LEU 16 21.461 5.214 -15.102 117 HD13 LEU 16 3HD1 LEU 16 20.117 5.554 -16.193 118 HD21 LEU 16 3HD2 LEU 16 24.011 5.579 -17.355 119 HD22 LEU 16 1HD2 LEU 16 22.781 4.330 -17.554 120 HD23 LEU 16 2HD2 LEU 16 23.301 4.805 -15.937 121 H VAL 17 H VAL 17 19.846 9.875 -19.315 122 HA VAL 17 HA VAL 17 22.239 10.696 -20.531 123 HB VAL 17 HB VAL 17 21.310 12.925 -20.581 124 HG11 VAL 17 1HG1 VAL 17 19.919 10.589 -21.460 125 HG12 VAL 17 2HG1 VAL 17 18.748 11.845 -21.051 126 HG13 VAL 17 3HG1 VAL 17 20.022 12.174 -22.226 127 HG21 VAL 17 3HG2 VAL 17 20.538 13.068 -18.276 128 HG22 VAL 17 1HG2 VAL 17 19.240 13.488 -19.393 129 HG23 VAL 17 2HG2 VAL 17 19.257 11.905 -18.618 130 H TYR 18 H TYR 18 23.010 13.094 -19.647 131 HA TYR 18 HA TYR 18 23.409 13.330 -16.861 132 HB2 TYR 18 2HB TYR 18 25.971 12.914 -17.049 133 HB3 TYR 18 3HB TYR 18 24.895 11.538 -16.837 134 HD1 TYR 18 HD2 TYR 18 26.089 13.552 -19.759 135 HD2 TYR 18 HD1 TYR 18 25.549 9.695 -18.045 136 HE1 TYR 18 HE2 TYR 18 27.009 12.525 -21.795 137 HE2 TYR 18 HE1 TYR 18 26.469 8.657 -20.077 138 HH TYR 18 HH TYR 18 28.114 9.475 -21.977 139 H VAL 19 H VAL 19 22.627 15.059 -18.888 140 HA VAL 19 HA VAL 19 24.904 16.930 -19.020 141 HB VAL 19 HB VAL 19 24.345 16.255 -21.257 142 HG11 VAL 19 1HG1 VAL 19 22.156 16.379 -22.202 143 HG12 VAL 19 2HG1 VAL 19 22.034 15.477 -20.691 144 HG13 VAL 19 3HG1 VAL 19 21.516 17.162 -20.758 145 HG21 VAL 19 3HG2 VAL 19 24.358 18.332 -22.156 146 HG22 VAL 19 1HG2 VAL 19 22.944 18.854 -21.239 147 HG23 VAL 19 2HG2 VAL 19 24.530 18.817 -20.469 148 H ASN 20 H ASN 20 21.384 16.653 -18.705 149 HA ASN 20 HA ASN 20 21.212 18.605 -16.688 150 HB2 ASN 20 2HB ASN 20 21.013 19.570 -19.465 151 HB3 ASN 20 3HB ASN 20 19.699 20.084 -18.412 152 HD21 ASN 20 1HD2 ASN 20 22.440 21.127 -19.630 153 HD22 ASN 20 2HD2 ASN 20 23.037 22.107 -18.338 154 H TRP 21 H TRP 21 19.127 17.950 -19.502 155 HA TRP 21 HA TRP 21 17.282 16.499 -17.750 156 HB2 TRP 21 2HB TRP 21 15.443 17.823 -18.193 157 HB3 TRP 21 3HB TRP 21 16.716 19.040 -18.154 158 HD1 TRP 21 HD1 TRP 21 13.944 17.855 -20.271 159 HE1 TRP 21 HE1 TRP 21 14.077 18.905 -22.617 160 HE3 TRP 21 HE3 TRP 21 18.694 19.735 -20.053 161 HZ2 TRP 21 HZ2 TRP 21 15.947 20.340 -24.170 162 HZ3 TRP 21 HZ3 TRP 21 19.580 20.932 -22.011 163 HH2 TRP 21 HH2 TRP 21 18.233 21.227 -24.027 164 H SER 22 H SER 22 18.337 17.334 -20.995 165 HA SER 22 HA SER 22 17.959 16.340 -23.031 166 HB2 SER 22 2HB SER 22 18.205 13.683 -21.688 167 HB3 SER 22 3HB SER 22 18.993 14.280 -23.149 168 HG SER 22 HG SER 22 19.574 15.292 -20.569 169 H SER 23 H SER 23 15.609 17.050 -22.649 170 HA SER 23 HA SER 23 13.361 16.641 -22.726 171 HB2 SER 23 2HB SER 23 14.439 15.586 -24.887 172 HB3 SER 23 3HB SER 23 13.933 14.068 -24.147 173 HG SER 23 HG SER 23 12.405 16.130 -25.209 174 H TYR 24 H TYR 24 12.941 16.265 -20.543 175 HA TYR 24 HA TYR 24 13.381 13.977 -19.080 176 HB2 TYR 24 2HB TYR 24 11.252 16.087 -18.950 177 HB3 TYR 24 3HB TYR 24 11.186 14.703 -17.866 178 HD1 TYR 24 HD1 TYR 24 13.933 14.247 -17.111 179 HD2 TYR 24 HD2 TYR 24 11.901 17.935 -17.721 180 HE1 TYR 24 HE1 TYR 24 15.509 15.360 -15.587 181 HE2 TYR 24 HE2 TYR 24 13.472 19.059 -16.199 182 HH TYR 24 HH TYR 24 15.703 18.762 -15.307 183 HA PRO 25 HA PRO 25 10.734 10.809 -20.565 184 HB2 PRO 25 2HB PRO 25 9.984 9.583 -18.262 185 HB3 PRO 25 3HB PRO 25 11.614 9.455 -18.932 186 HG2 PRO 25 2HG PRO 25 10.601 11.220 -16.737 187 HG3 PRO 25 3HG PRO 25 12.108 10.289 -16.818 188 HD2 PRO 25 2HD PRO 25 12.010 12.951 -17.311 189 HD3 PRO 25 3HD PRO 25 13.160 11.870 -18.125 190 H LYS 26 H LYS 26 8.593 10.298 -20.945 191 HA LYS 26 HA LYS 26 6.662 12.292 -20.168 192 HB2 LYS 26 2HB LYS 26 6.551 9.863 -21.947 193 HB3 LYS 26 3HB LYS 26 5.115 10.808 -21.573 194 HG2 LYS 26 2HG LYS 26 5.755 12.556 -22.863 195 HG3 LYS 26 3HG LYS 26 7.475 12.287 -22.570 196 HD2 LYS 26 2HD LYS 26 7.653 11.211 -24.505 197 HD3 LYS 26 3HD LYS 26 6.435 10.044 -23.986 198 HE2 LYS 26 2HE LYS 26 4.679 11.312 -24.913 199 HE3 LYS 26 3HE LYS 26 5.698 12.739 -25.093 200 HZ1 LYS 26 3HZ LYS 26 5.863 10.220 -26.650 201 HZ2 LYS 26 1HZ LYS 26 7.014 11.455 -26.739 202 HZ3 LYS 26 2HZ LYS 26 5.420 11.748 -27.222 203 H TYR 27 H TYR 27 4.584 11.786 -19.224 204 HA TYR 27 HA TYR 27 4.707 10.472 -16.807 205 HB2 TYR 27 2HB TYR 27 2.914 11.957 -17.063 206 HB3 TYR 27 3HB TYR 27 2.400 11.225 -18.579 207 HD1 TYR 27 HD1 TYR 27 3.012 9.915 -15.126 208 HD2 TYR 27 HD2 TYR 27 0.311 10.277 -18.394 209 HE1 TYR 27 HE1 TYR 27 1.361 8.561 -13.904 210 HE2 TYR 27 HE2 TYR 27 -1.346 8.925 -17.181 211 HH TYR 27 HH TYR 27 -0.567 7.342 -14.153 212 H GLU 28 H GLU 28 5.034 8.405 -16.361 213 HA GLU 28 HA GLU 28 3.968 6.374 -18.209 214 HB2 GLU 28 2HB GLU 28 6.564 6.724 -17.086 215 HB3 GLU 28 3HB GLU 28 5.880 5.245 -16.425 216 HG2 GLU 28 2HG GLU 28 5.739 5.740 -19.359 217 HG3 GLU 28 3HG GLU 28 7.252 5.198 -18.636 218 HA PRO 29 HA PRO 29 1.255 5.581 -14.713 219 HB2 PRO 29 2HB PRO 29 -0.371 3.882 -16.070 220 HB3 PRO 29 3HB PRO 29 -0.486 5.640 -16.211 221 HG2 PRO 29 2HG PRO 29 0.845 3.676 -18.037 222 HG3 PRO 29 3HG PRO 29 -0.167 5.074 -18.444 223 HD2 PRO 29 2HD PRO 29 2.537 5.144 -18.582 224 HD3 PRO 29 3HD PRO 29 1.564 6.569 -18.163 225 H GLY 30 H GLY 30 1.678 4.154 -13.154 226 HA2 GLY 30 2HA GLY 30 1.684 1.871 -12.378 227 HA3 GLY 30 3HA GLY 30 2.383 1.397 -13.919 228 H LYS 31 H LYS 31 3.611 4.233 -12.393 229 HA LYS 31 HA LYS 31 5.832 2.762 -11.184 230 HB2 LYS 31 2HB LYS 31 6.058 3.929 -13.700 231 HB3 LYS 31 3HB LYS 31 6.782 5.110 -12.616 232 HG2 LYS 31 2HG LYS 31 7.766 2.586 -11.845 233 HG3 LYS 31 3HG LYS 31 7.871 2.667 -13.605 234 HD2 LYS 31 2HD LYS 31 9.788 3.774 -13.256 235 HD3 LYS 31 3HD LYS 31 8.756 5.148 -12.849 236 HE2 LYS 31 2HE LYS 31 9.778 5.152 -10.866 237 HE3 LYS 31 3HE LYS 31 8.852 3.697 -10.504 238 HZ1 LYS 31 3HZ LYS 31 11.032 2.857 -11.964 239 HZ2 LYS 31 1HZ LYS 31 10.779 2.653 -10.304 240 HZ3 LYS 31 2HZ LYS 31 11.647 3.990 -10.868 241 H GLU 32 H GLU 32 6.008 3.469 -9.170 242 HA GLU 32 HA GLU 32 4.728 5.605 -8.029 243 HB2 GLU 32 2HB GLU 32 6.063 5.285 -6.121 244 HB3 GLU 32 3HB GLU 32 6.008 3.707 -6.894 245 HG2 GLU 32 2HG GLU 32 8.227 4.862 -8.022 246 HG3 GLU 32 3HG GLU 32 8.272 5.451 -6.361 247 H TYR 33 H TYR 33 5.279 7.719 -7.473 248 HA TYR 33 HA TYR 33 7.626 8.846 -8.840 249 HB2 TYR 33 2HB TYR 33 4.798 9.898 -8.846 250 HB3 TYR 33 3HB TYR 33 6.185 10.894 -9.276 251 HD1 TYR 33 HD2 TYR 33 7.696 10.007 -11.184 252 HD2 TYR 33 HD1 TYR 33 3.737 8.619 -10.475 253 HE1 TYR 33 HE2 TYR 33 7.580 9.178 -13.496 254 HE2 TYR 33 HE1 TYR 33 3.610 7.785 -12.786 255 HH TYR 33 HH TYR 33 5.776 7.039 -14.594 256 H ASN 34 H ASN 34 8.942 9.551 -7.298 257 HA ASN 34 HA ASN 34 7.989 10.332 -4.704 258 HB2 ASN 34 2HB ASN 34 10.319 9.269 -5.545 259 HB3 ASN 34 3HB ASN 34 10.776 10.970 -5.489 260 HD21 ASN 34 1HD2 ASN 34 10.475 8.156 -3.739 261 HD22 ASN 34 2HD2 ASN 34 10.585 8.818 -2.147 262 H GLN 35 H GLN 35 8.983 12.429 -3.748 263 HA GLN 35 HA GLN 35 7.778 14.614 -5.069 264 HB2 GLN 35 2HB GLN 35 8.475 15.929 -3.244 265 HB3 GLN 35 3HB GLN 35 8.206 14.328 -2.569 266 HG2 GLN 35 2HG GLN 35 10.607 13.890 -2.647 267 HG3 GLN 35 3HG GLN 35 10.876 15.495 -3.323 268 HE21 GLN 35 1HE2 GLN 35 9.122 14.051 -0.592 269 HE22 GLN 35 2HE2 GLN 35 9.665 15.195 0.582 270 H GLY 36 H GLY 36 8.565 16.152 -6.400 271 HA2 GLY 36 2HA GLY 36 10.256 17.506 -7.355 272 HA3 GLY 36 3HA GLY 36 11.459 16.352 -6.801 273 H ASP 37 H ASP 37 9.593 14.183 -7.912 274 HA ASP 37 HA ASP 37 10.945 13.747 -10.319 275 HB2 ASP 37 2HB ASP 37 8.355 12.623 -9.250 276 HB3 ASP 37 3HB ASP 37 9.085 12.071 -10.756 277 H ILE 38 H ILE 38 10.643 14.418 -12.350 278 HA ILE 38 HA ILE 38 8.171 15.906 -12.954 279 HB ILE 38 HB ILE 38 10.941 16.415 -14.044 280 HG12 ILE 38 2HG1 ILE 38 9.847 18.710 -12.824 281 HG13 ILE 38 3HG1 ILE 38 9.552 17.378 -11.711 282 HG21 ILE 38 1HG2 ILE 38 9.467 18.557 -14.780 283 HG22 ILE 38 2HG2 ILE 38 9.768 17.160 -15.813 284 HG23 ILE 38 3HG2 ILE 38 8.262 17.273 -14.899 285 HD11 ILE 38 3HD1 ILE 38 11.912 16.840 -11.693 286 HD12 ILE 38 1HD1 ILE 38 12.230 18.117 -12.866 287 HD13 ILE 38 2HD1 ILE 38 11.657 18.526 -11.249 288 H VAL 39 H VAL 39 7.100 15.440 -14.812 289 HA VAL 39 HA VAL 39 8.347 13.648 -16.761 290 HB VAL 39 HB VAL 39 6.527 12.111 -16.808 291 HG11 VAL 39 1HG1 VAL 39 6.561 11.201 -14.490 292 HG12 VAL 39 2HG1 VAL 39 8.160 11.584 -15.132 293 HG13 VAL 39 3HG1 VAL 39 7.389 12.670 -13.974 294 HG21 VAL 39 3HG2 VAL 39 5.177 14.153 -15.115 295 HG22 VAL 39 1HG2 VAL 39 4.559 13.236 -16.489 296 HG23 VAL 39 2HG2 VAL 39 4.726 12.461 -14.915 297 H GLU 40 H GLU 40 7.259 13.599 -18.820 298 HA GLU 40 HA GLU 40 5.892 16.126 -19.371 299 HB2 GLU 40 2HB GLU 40 7.815 15.721 -20.754 300 HB3 GLU 40 3HB GLU 40 7.238 14.113 -21.174 301 HG2 GLU 40 2HG GLU 40 5.476 14.999 -22.494 302 HG3 GLU 40 3HG GLU 40 5.769 16.632 -21.900 303 H TYR 41 H TYR 41 3.788 16.221 -19.787 304 HA TYR 41 HA TYR 41 2.408 13.868 -20.842 305 HB2 TYR 41 2HB TYR 41 2.020 13.599 -18.507 306 HB3 TYR 41 3HB TYR 41 1.687 15.314 -18.292 307 HD1 TYR 41 HD1 TYR 41 -0.448 16.270 -19.103 308 HD2 TYR 41 HD2 TYR 41 0.317 12.086 -19.231 309 HE1 TYR 41 HE1 TYR 41 -2.853 15.845 -19.401 310 HE2 TYR 41 HE2 TYR 41 -2.085 11.649 -19.530 311 HH TYR 41 HH TYR 41 -4.373 13.370 -18.790 312 H ASN 42 H ASN 42 1.047 14.388 -22.425 313 HA ASN 42 HA ASN 42 -0.140 15.623 -23.923 314 HB2 ASN 42 2HB ASN 42 -1.522 15.861 -21.767 315 HB3 ASN 42 3HB ASN 42 -0.835 17.478 -21.653 316 HD21 ASN 42 1HD2 ASN 42 -3.516 17.179 -21.829 317 HD22 ASN 42 2HD2 ASN 42 -4.078 17.715 -23.372 318 H GLY 43 H GLY 43 2.672 16.351 -23.324 319 HA2 GLY 43 2HA GLY 43 4.117 17.870 -24.311 320 HA3 GLY 43 3HA GLY 43 2.722 18.792 -24.852 321 H LYS 44 H LYS 44 2.944 17.969 -21.507 322 HA LYS 44 HA LYS 44 3.761 20.736 -20.899 323 HB2 LYS 44 2HB LYS 44 1.606 19.020 -19.711 324 HB3 LYS 44 3HB LYS 44 2.350 20.293 -18.752 325 HG2 LYS 44 2HG LYS 44 1.306 21.932 -19.879 326 HG3 LYS 44 3HG LYS 44 1.451 21.104 -21.430 327 HD2 LYS 44 2HD LYS 44 -0.300 19.522 -19.966 328 HD3 LYS 44 3HD LYS 44 -0.768 21.176 -19.566 329 HE2 LYS 44 2HE LYS 44 -0.405 21.332 -22.266 330 HE3 LYS 44 3HE LYS 44 -1.027 19.693 -22.082 331 HZ1 LYS 44 3HZ LYS 44 -2.598 21.291 -20.471 332 HZ2 LYS 44 1HZ LYS 44 -3.036 20.579 -21.943 333 HZ3 LYS 44 2HZ LYS 44 -2.417 22.153 -21.915 334 H LEU 45 H LEU 45 4.263 20.768 -18.344 335 HA LEU 45 HA LEU 45 5.968 18.469 -17.696 336 HB2 LEU 45 2HB LEU 45 6.775 21.330 -17.954 337 HB3 LEU 45 3HB LEU 45 7.580 20.306 -16.767 338 HG LEU 45 HG LEU 45 7.496 19.829 -19.747 339 HD11 LEU 45 1HD1 LEU 45 9.518 20.807 -19.928 340 HD12 LEU 45 2HD1 LEU 45 10.033 20.295 -18.320 341 HD13 LEU 45 3HD1 LEU 45 8.977 21.694 -18.502 342 HD21 LEU 45 3HD2 LEU 45 9.261 18.116 -19.139 343 HD22 LEU 45 1HD2 LEU 45 7.599 17.714 -18.708 344 HD23 LEU 45 2HD2 LEU 45 8.715 18.288 -17.470 345 H TYR 46 H TYR 46 5.187 17.702 -15.850 346 HA TYR 46 HA TYR 46 4.332 19.622 -13.784 347 HB2 TYR 46 2HB TYR 46 3.386 16.784 -14.234 348 HB3 TYR 46 3HB TYR 46 2.861 17.835 -12.923 349 HD1 TYR 46 HD2 TYR 46 1.445 19.800 -13.401 350 HD2 TYR 46 HD1 TYR 46 2.512 17.034 -16.453 351 HE1 TYR 46 HE2 TYR 46 -0.351 20.689 -14.826 352 HE2 TYR 46 HE1 TYR 46 0.720 17.916 -17.887 353 HH TYR 46 HH TYR 46 -1.500 19.134 -17.520 354 H LYS 47 H LYS 47 4.771 19.072 -11.578 355 HA LYS 47 HA LYS 47 6.911 17.092 -11.199 356 HB2 LYS 47 2HB LYS 47 8.068 19.178 -11.309 357 HB3 LYS 47 3HB LYS 47 6.887 19.961 -10.267 358 HG2 LYS 47 2HG LYS 47 7.797 19.121 -8.368 359 HG3 LYS 47 3HG LYS 47 8.343 17.637 -9.152 360 HD2 LYS 47 2HD LYS 47 10.384 18.558 -9.050 361 HD3 LYS 47 3HD LYS 47 9.847 19.545 -10.412 362 HE2 LYS 47 2HE LYS 47 10.346 21.294 -9.109 363 HE3 LYS 47 3HE LYS 47 8.845 20.915 -8.265 364 HZ1 LYS 47 3HZ LYS 47 10.062 19.632 -6.666 365 HZ2 LYS 47 1HZ LYS 47 10.765 21.167 -6.770 366 HZ3 LYS 47 2HZ LYS 47 11.510 19.844 -7.514 367 H ALA 48 H ALA 48 6.317 15.662 -9.722 368 HA ALA 48 HA ALA 48 4.037 15.913 -8.101 369 HB1 ALA 48 1HB ALA 48 5.890 14.021 -6.993 370 HB2 ALA 48 2HB ALA 48 4.364 13.734 -7.831 371 HB3 ALA 48 3HB ALA 48 5.860 13.888 -8.752 372 H LYS 49 H LYS 49 3.770 17.203 -6.412 373 HA LYS 49 HA LYS 49 5.800 18.593 -5.091 374 HB2 LYS 49 2HB LYS 49 3.116 17.904 -3.895 375 HB3 LYS 49 3HB LYS 49 4.124 19.299 -3.534 376 HG2 LYS 49 2HG LYS 49 3.795 19.912 -6.009 377 HG3 LYS 49 3HG LYS 49 2.462 18.756 -5.963 378 HD2 LYS 49 2HD LYS 49 1.156 20.134 -4.760 379 HD3 LYS 49 3HD LYS 49 2.491 20.653 -3.728 380 HE2 LYS 49 2HE LYS 49 2.284 21.585 -6.569 381 HE3 LYS 49 3HE LYS 49 1.372 22.382 -5.288 382 HZ1 LYS 49 3HZ LYS 49 3.532 22.669 -4.106 383 HZ2 LYS 49 1HZ LYS 49 3.407 23.540 -5.552 384 HZ3 LYS 49 2HZ LYS 49 4.318 22.117 -5.498 385 H TYR 50 H TYR 50 4.067 15.644 -4.140 386 HA TYR 50 HA TYR 50 6.337 14.908 -2.459 387 HB2 TYR 50 2HB TYR 50 5.059 14.512 -0.504 388 HB3 TYR 50 3HB TYR 50 4.584 16.113 -1.060 389 HD1 TYR 50 HD1 TYR 50 2.538 15.938 -2.876 390 HD2 TYR 50 HD2 TYR 50 3.340 13.212 0.292 391 HE1 TYR 50 HE1 TYR 50 0.180 15.237 -2.891 392 HE2 TYR 50 HE2 TYR 50 0.984 12.503 0.285 393 HH TYR 50 HH TYR 50 -1.235 13.498 -0.419 394 H TRP 51 H TRP 51 5.836 12.615 -1.483 395 HA TRP 51 HA TRP 51 5.788 10.779 -3.528 396 HB2 TRP 51 2HB TRP 51 6.248 10.603 -0.886 397 HB3 TRP 51 3HB TRP 51 4.645 9.873 -0.941 398 HD1 TRP 51 HD1 TRP 51 8.128 9.391 -2.574 399 HE1 TRP 51 HE1 TRP 51 8.419 6.887 -3.094 400 HE3 TRP 51 HE3 TRP 51 3.501 7.727 -1.174 401 HZ2 TRP 51 HZ2 TRP 51 6.890 4.520 -2.936 402 HZ3 TRP 51 HZ3 TRP 51 2.995 5.329 -1.392 403 HH2 TRP 51 HH2 TRP 51 4.656 3.761 -2.254 404 H THR 52 H THR 52 4.235 10.488 -4.984 405 HA THR 52 HA THR 52 1.613 9.652 -4.156 406 HB THR 52 HB THR 52 1.801 12.169 -5.821 407 HG1 THR 52 HG1 THR 52 2.210 12.852 -3.786 408 HG21 THR 52 3HG2 THR 52 -0.746 12.007 -4.882 409 HG22 THR 52 1HG2 THR 52 -0.360 10.303 -5.118 410 HG23 THR 52 2HG2 THR 52 -0.230 11.431 -6.467 411 H THR 53 H THR 53 0.430 8.657 -5.820 412 HA THR 53 HA THR 53 1.846 8.363 -8.384 413 HB THR 53 HB THR 53 1.338 6.003 -8.459 414 HG1 THR 53 HG1 THR 53 -0.197 5.222 -7.243 415 HG21 THR 53 3HG2 THR 53 2.476 6.547 -5.721 416 HG22 THR 53 1HG2 THR 53 3.380 6.822 -7.210 417 HG23 THR 53 2HG2 THR 53 2.834 5.196 -6.797 418 H SER 54 H SER 54 0.568 9.324 -9.832 419 HA SER 54 HA SER 54 -1.902 8.285 -10.597 420 HB2 SER 54 2HB SER 54 -3.231 9.151 -8.978 421 HB3 SER 54 3HB SER 54 -2.031 10.352 -8.501 422 HG SER 54 HG SER 54 -2.827 11.743 -9.922 423 HA PRO 55 HA PRO 55 -0.989 10.701 -14.145 424 HB2 PRO 55 2HB PRO 55 -3.458 11.015 -15.231 425 HB3 PRO 55 3HB PRO 55 -2.590 9.475 -15.248 426 HG2 PRO 55 2HG PRO 55 -4.759 10.405 -13.407 427 HG3 PRO 55 3HG PRO 55 -4.550 8.822 -14.179 428 HD2 PRO 55 2HD PRO 55 -3.873 9.286 -11.598 429 HD3 PRO 55 3HD PRO 55 -2.998 8.128 -12.622 430 HA PRO 56 HA PRO 56 -1.535 14.961 -13.129 431 HB2 PRO 56 2HB PRO 56 -0.919 16.055 -15.536 432 HB3 PRO 56 3HB PRO 56 0.296 15.358 -14.460 433 HG2 PRO 56 2HG PRO 56 -1.025 14.151 -16.860 434 HG3 PRO 56 3HG PRO 56 0.681 14.097 -16.376 435 HD2 PRO 56 2HD PRO 56 -1.019 12.034 -15.951 436 HD3 PRO 56 3HD PRO 56 0.325 12.404 -14.854 437 H SER 57 H SER 57 -3.242 16.289 -13.030 438 HA SER 57 HA SER 57 -4.889 17.048 -15.147 439 HB2 SER 57 2HB SER 57 -5.622 14.504 -13.887 440 HB3 SER 57 3HB SER 57 -6.935 15.681 -13.911 441 HG SER 57 HG SER 57 -6.965 15.637 -16.056 442 H ASP 58 H ASP 58 -5.748 16.016 -11.848 443 HA ASP 58 HA ASP 58 -5.975 18.829 -11.062 444 HB2 ASP 58 2HB ASP 58 -8.161 16.759 -10.878 445 HB3 ASP 58 3HB ASP 58 -8.150 18.209 -9.878 446 H ASP 59 H ASP 59 -4.785 19.103 -9.307 447 HA ASP 59 HA ASP 59 -4.478 16.848 -7.440 448 HB2 ASP 59 2HB ASP 59 -2.465 18.404 -6.687 449 HB3 ASP 59 3HB ASP 59 -2.309 17.295 -8.046 450 HA PRO 60 HA PRO 60 -7.040 19.903 -5.138 451 HB2 PRO 60 2HB PRO 60 -8.483 18.018 -3.821 452 HB3 PRO 60 3HB PRO 60 -8.900 18.589 -5.441 453 HG2 PRO 60 2HG PRO 60 -7.441 16.106 -4.625 454 HG3 PRO 60 3HG PRO 60 -8.703 16.308 -5.853 455 HD2 PRO 60 2HD PRO 60 -6.074 16.153 -6.481 456 HD3 PRO 60 3HD PRO 60 -7.225 17.124 -7.421 457 H TYR 61 H TYR 61 -4.834 17.427 -4.333 458 HA TYR 61 HA TYR 61 -4.762 18.322 -1.527 459 HB2 TYR 61 2HB TYR 61 -3.267 16.044 -1.541 460 HB3 TYR 61 3HB TYR 61 -4.982 16.105 -1.149 461 HD1 TYR 61 HD1 TYR 61 -2.726 15.761 -4.107 462 HD2 TYR 61 HD2 TYR 61 -6.426 14.707 -2.293 463 HE1 TYR 61 HE1 TYR 61 -3.199 14.231 -5.976 464 HE2 TYR 61 HE2 TYR 61 -6.910 13.174 -4.154 465 HH TYR 61 HH TYR 61 -6.052 13.123 -6.764 466 H GLY 62 H GLY 62 -3.232 18.681 -4.432 467 HA2 GLY 62 2HA GLY 62 -1.286 19.854 -4.897 468 HA3 GLY 62 3HA GLY 62 -0.905 19.840 -3.181 469 H SER 63 H SER 63 -1.438 17.231 -5.545 470 HA SER 63 HA SER 63 0.986 15.929 -4.568 471 HB2 SER 63 2HB SER 63 0.182 13.938 -5.619 472 HB3 SER 63 3HB SER 63 -1.207 14.684 -4.829 473 HG SER 63 HG SER 63 -1.334 13.921 -7.164 474 H TRP 64 H TRP 64 0.047 17.970 -7.058 475 HA TRP 64 HA TRP 64 2.504 17.359 -8.532 476 HB2 TRP 64 2HB TRP 64 -0.278 17.451 -9.643 477 HB3 TRP 64 3HB TRP 64 1.077 17.955 -10.649 478 HD1 TRP 64 HD1 TRP 64 -0.762 14.920 -9.533 479 HE1 TRP 64 HE1 TRP 64 0.432 12.800 -10.371 480 HE3 TRP 64 HE3 TRP 64 3.641 17.020 -11.065 481 HZ2 TRP 64 HZ2 TRP 64 2.912 12.109 -11.528 482 HZ3 TRP 64 HZ3 TRP 64 5.372 15.559 -12.025 483 HH2 TRP 64 HH2 TRP 64 5.014 13.155 -12.251 484 H GLU 65 H GLU 65 3.211 19.143 -9.928 485 HA GLU 65 HA GLU 65 2.033 21.747 -9.376 486 HB2 GLU 65 2HB GLU 65 3.878 21.062 -7.637 487 HB3 GLU 65 3HB GLU 65 4.981 21.478 -8.941 488 HG2 GLU 65 2HG GLU 65 2.998 23.267 -7.568 489 HG3 GLU 65 3HG GLU 65 4.757 23.389 -7.561 490 H TYR 66 H TYR 66 1.818 22.659 -11.300 491 HA TYR 66 HA TYR 66 3.315 21.819 -13.579 492 HB2 TYR 66 2HB TYR 66 1.103 22.502 -14.026 493 HB3 TYR 66 3HB TYR 66 1.284 23.988 -13.101 494 HD1 TYR 66 HD2 TYR 66 2.422 25.921 -14.060 495 HD2 TYR 66 HD1 TYR 66 1.912 22.342 -16.304 496 HE1 TYR 66 HE2 TYR 66 2.982 27.140 -16.121 497 HE2 TYR 66 HE1 TYR 66 2.472 23.552 -18.371 498 HH TYR 66 HH TYR 66 2.680 26.974 -18.498 499 H LEU 67 H LEU 67 5.364 22.366 -13.894 500 HA LEU 67 HA LEU 67 6.345 24.939 -12.903 501 HB2 LEU 67 2HB LEU 67 8.032 22.806 -14.161 502 HB3 LEU 67 3HB LEU 67 8.509 24.062 -13.021 503 HG LEU 67 HG LEU 67 6.795 21.674 -12.344 504 HD11 LEU 67 1HD1 LEU 67 9.711 22.097 -12.392 505 HD12 LEU 67 2HD1 LEU 67 8.773 20.608 -12.514 506 HD13 LEU 67 3HD1 LEU 67 9.060 21.342 -10.936 507 HD21 LEU 67 3HD2 LEU 67 8.069 22.907 -10.114 508 HD22 LEU 67 1HD2 LEU 67 6.345 22.710 -10.437 509 HD23 LEU 67 2HD2 LEU 67 7.194 24.141 -11.022 510 H GLY 68 H GLY 68 5.851 23.127 -15.865 511 HA2 GLY 68 2HA GLY 68 5.767 25.454 -17.464 512 HA3 GLY 68 3HA GLY 68 7.340 24.688 -17.640 513 H GLU 69 H GLU 69 6.754 24.405 -19.885 514 HA GLU 69 HA GLU 69 5.085 22.013 -20.269 515 HB2 GLU 69 2HB GLU 69 4.764 24.651 -21.439 516 HB3 GLU 69 3HB GLU 69 4.958 23.414 -22.673 517 HG2 GLU 69 2HG GLU 69 3.056 22.250 -21.970 518 HG3 GLU 69 3HG GLU 69 2.998 23.104 -20.429 519 H ALA 70 H ALA 70 5.613 20.780 -22.220 520 HA ALA 70 HA ALA 70 8.409 20.364 -22.456 521 HB1 ALA 70 1HB ALA 70 6.078 19.259 -24.009 522 HB2 ALA 70 2HB ALA 70 7.749 18.744 -24.249 523 HB3 ALA 70 3HB ALA 70 6.962 18.488 -22.691 524 H GLU 71 H GLU 71 5.980 21.630 -24.732 525 HA GLU 71 HA GLU 71 8.181 22.682 -26.378 526 HB2 GLU 71 2HB GLU 71 5.737 21.331 -27.038 527 HB3 GLU 71 3HB GLU 71 5.724 22.936 -27.754 528 HG2 GLU 71 2HG GLU 71 8.266 21.588 -28.113 529 HG3 GLU 71 3HG GLU 71 6.915 20.685 -28.798 530 HA PRO 72 HA PRO 72 6.788 26.572 -24.576 531 HB2 PRO 72 2HB PRO 72 8.946 27.987 -25.420 532 HB3 PRO 72 3HB PRO 72 8.977 26.952 -23.987 533 HG2 PRO 72 2HG PRO 72 9.958 26.382 -26.758 534 HG3 PRO 72 3HG PRO 72 10.725 26.016 -25.201 535 HD2 PRO 72 2HD PRO 72 9.379 24.154 -26.636 536 HD3 PRO 72 3HD PRO 72 9.429 24.140 -24.861 537 H THR 73 H THR 73 5.563 28.122 -25.473 538 HA THR 73 HA THR 73 5.748 28.511 -28.390 539 HB THR 73 HB THR 73 3.654 27.405 -27.774 540 HG1 THR 73 HG1 THR 73 2.528 28.659 -29.104 541 HG21 THR 73 3HG2 THR 73 3.130 29.859 -26.092 542 HG22 THR 73 1HG2 THR 73 3.466 28.242 -25.475 543 HG23 THR 73 2HG2 THR 73 1.990 28.548 -26.392 Start of MODEL 7 1 H1 GLY 1 H GLY 1 32.438 6.207 -4.701 2 HA2 GLY 1 2HA GLY 1 30.765 7.711 -3.032 3 HA3 GLY 1 3HA GLY 1 30.808 7.818 -4.786 4 HA PRO 2 HA PRO 2 27.500 4.442 -3.757 5 HB2 PRO 2 2HB PRO 2 26.847 4.131 -1.140 6 HB3 PRO 2 3HB PRO 2 28.132 3.206 -1.926 7 HG2 PRO 2 2HG PRO 2 28.339 5.636 -0.191 8 HG3 PRO 2 3HG PRO 2 29.334 4.168 -0.185 9 HD2 PRO 2 2HD PRO 2 30.140 6.470 -1.364 10 HD3 PRO 2 3HD PRO 2 30.602 4.868 -1.977 11 H SER 3 H SER 3 25.275 4.764 -3.670 12 HA SER 3 HA SER 3 24.454 7.468 -2.859 13 HB2 SER 3 2HB SER 3 23.018 7.538 -4.644 14 HB3 SER 3 3HB SER 3 24.197 6.403 -5.301 15 HG SER 3 HG SER 3 21.593 6.012 -4.734 16 H THR 4 H THR 4 22.392 7.758 -1.855 17 HA THR 4 HA THR 4 21.300 5.353 -0.558 18 HB THR 4 HB THR 4 20.889 7.270 1.348 19 HG1 THR 4 HG1 THR 4 22.872 8.355 1.598 20 HG21 THR 4 3HG2 THR 4 22.647 4.965 0.973 21 HG22 THR 4 1HG2 THR 4 21.643 5.409 2.352 22 HG23 THR 4 2HG2 THR 4 23.246 6.119 2.164 23 H SER 5 H SER 5 20.765 8.800 -1.245 24 HA SER 5 HA SER 5 17.978 8.182 -1.884 25 HB2 SER 5 2HB SER 5 18.258 10.723 -0.448 26 HB3 SER 5 3HB SER 5 17.053 9.449 -0.260 27 HG SER 5 HG SER 5 18.102 9.132 1.547 28 H MET 6 H MET 6 16.908 10.301 -2.766 29 HA MET 6 HA MET 6 18.647 12.169 -4.057 30 HB2 MET 6 2HB MET 6 18.112 11.530 -6.370 31 HB3 MET 6 3HB MET 6 19.013 10.269 -5.539 32 HG2 MET 6 2HG MET 6 16.489 9.471 -5.040 33 HG3 MET 6 3HG MET 6 16.275 10.257 -6.602 34 HE1 MET 6 3HE MET 6 18.126 6.328 -5.557 35 HE2 MET 6 1HE MET 6 17.302 7.521 -4.553 36 HE3 MET 6 2HE MET 6 16.390 6.584 -5.736 37 H GLU 7 H GLU 7 17.474 13.788 -5.276 38 HA GLU 7 HA GLU 7 14.689 13.997 -4.369 39 HB2 GLU 7 2HB GLU 7 16.576 16.157 -5.325 40 HB3 GLU 7 3HB GLU 7 14.935 16.415 -4.752 41 HG2 GLU 7 2HG GLU 7 15.841 15.187 -2.612 42 HG3 GLU 7 3HG GLU 7 17.395 15.749 -3.228 43 H ASN 8 H ASN 8 15.595 12.474 -6.726 44 HA ASN 8 HA ASN 8 13.564 13.130 -8.513 45 HB2 ASN 8 2HB ASN 8 14.699 15.096 -9.181 46 HB3 ASN 8 3HB ASN 8 16.261 14.282 -9.205 47 HD21 ASN 8 1HD2 ASN 8 13.633 15.287 -11.021 48 HD22 ASN 8 2HD2 ASN 8 13.993 14.443 -12.485 49 H LEU 9 H LEU 9 13.157 11.040 -8.904 50 HA LEU 9 HA LEU 9 15.295 9.153 -9.387 51 HB2 LEU 9 2HB LEU 9 13.513 8.307 -8.107 52 HB3 LEU 9 3HB LEU 9 12.306 8.935 -9.227 53 HG LEU 9 HG LEU 9 12.920 7.250 -10.868 54 HD11 LEU 9 1HD1 LEU 9 14.459 5.406 -9.510 55 HD12 LEU 9 2HD1 LEU 9 15.222 6.949 -9.126 56 HD13 LEU 9 3HD1 LEU 9 15.004 6.469 -10.809 57 HD21 LEU 9 3HD2 LEU 9 12.297 5.206 -9.492 58 HD22 LEU 9 1HD2 LEU 9 11.179 6.569 -9.442 59 HD23 LEU 9 2HD2 LEU 9 12.281 6.284 -8.095 60 H VAL 10 H VAL 10 13.348 11.225 -11.243 61 HA VAL 10 HA VAL 10 12.901 9.870 -13.602 62 HB VAL 10 HB VAL 10 13.793 12.749 -13.405 63 HG11 VAL 10 1HG1 VAL 10 12.455 13.035 -15.445 64 HG12 VAL 10 2HG1 VAL 10 13.786 11.901 -15.680 65 HG13 VAL 10 3HG1 VAL 10 12.141 11.299 -15.471 66 HG21 VAL 10 3HG2 VAL 10 11.224 13.084 -13.461 67 HG22 VAL 10 1HG2 VAL 10 11.164 11.426 -12.864 68 HG23 VAL 10 2HG2 VAL 10 12.002 12.668 -11.933 69 H SER 11 H SER 11 15.897 11.101 -12.315 70 HA SER 11 HA SER 11 17.395 10.997 -14.727 71 HB2 SER 11 2HB SER 11 17.859 11.748 -12.021 72 HB3 SER 11 3HB SER 11 19.097 10.577 -12.471 73 HG SER 11 HG SER 11 19.399 11.927 -14.393 74 H LEU 12 H LEU 12 16.840 8.713 -12.092 75 HA LEU 12 HA LEU 12 18.342 6.675 -13.586 76 HB2 LEU 12 2HB LEU 12 18.353 7.385 -10.880 77 HB3 LEU 12 3HB LEU 12 17.496 5.846 -10.959 78 HG LEU 12 HG LEU 12 19.783 5.376 -10.513 79 HD11 LEU 12 1HD1 LEU 12 19.440 4.895 -13.462 80 HD12 LEU 12 2HD1 LEU 12 18.571 3.985 -12.226 81 HD13 LEU 12 3HD1 LEU 12 20.332 3.918 -12.295 82 HD21 LEU 12 3HD2 LEU 12 20.476 7.034 -12.936 83 HD22 LEU 12 1HD2 LEU 12 21.609 6.159 -11.906 84 HD23 LEU 12 2HD2 LEU 12 20.704 7.528 -11.258 85 H GLN 13 H GLN 13 15.568 7.591 -14.118 86 HA GLN 13 HA GLN 13 13.914 5.348 -13.320 87 HB2 GLN 13 2HB GLN 13 13.435 8.018 -14.088 88 HB3 GLN 13 3HB GLN 13 12.700 7.012 -15.328 89 HG2 GLN 13 2HG GLN 13 11.164 6.120 -13.898 90 HG3 GLN 13 3HG GLN 13 12.196 6.328 -12.484 91 HE21 GLN 13 1HE2 GLN 13 11.010 7.510 -11.138 92 HE22 GLN 13 2HE2 GLN 13 10.289 9.034 -11.517 93 H ASN 14 H ASN 14 15.341 6.654 -16.284 94 HA ASN 14 HA ASN 14 15.246 4.010 -17.478 95 HB2 ASN 14 2HB ASN 14 13.536 6.263 -18.346 96 HB3 ASN 14 3HB ASN 14 14.373 5.399 -19.632 97 HD21 ASN 14 1HD2 ASN 14 11.505 5.576 -18.695 98 HD22 ASN 14 2HD2 ASN 14 10.999 3.928 -18.579 99 H LEU 15 H LEU 15 15.959 7.438 -18.123 100 HA LEU 15 HA LEU 15 18.410 6.588 -19.512 101 HB2 LEU 15 2HB LEU 15 16.632 8.977 -19.784 102 HB3 LEU 15 3HB LEU 15 18.317 9.070 -20.288 103 HG LEU 15 HG LEU 15 16.890 8.632 -22.192 104 HD11 LEU 15 1HD1 LEU 15 18.448 7.325 -23.088 105 HD12 LEU 15 2HD1 LEU 15 17.992 5.962 -22.066 106 HD13 LEU 15 3HD1 LEU 15 19.134 7.167 -21.471 107 HD21 LEU 15 3HD2 LEU 15 15.056 7.542 -20.931 108 HD22 LEU 15 1HD2 LEU 15 16.059 6.098 -20.781 109 HD23 LEU 15 2HD2 LEU 15 15.536 6.648 -22.374 110 H LEU 16 H LEU 16 20.205 6.761 -18.361 111 HA LEU 16 HA LEU 16 20.310 8.423 -16.000 112 HB2 LEU 16 2HB LEU 16 21.361 6.058 -16.453 113 HB3 LEU 16 3HB LEU 16 22.693 7.009 -17.104 114 HG LEU 16 HG LEU 16 21.751 7.748 -14.400 115 HD11 LEU 16 1HD1 LEU 16 21.645 5.436 -14.030 116 HD12 LEU 16 2HD1 LEU 16 23.248 5.911 -13.470 117 HD13 LEU 16 3HD1 LEU 16 23.059 5.122 -15.035 118 HD21 LEU 16 3HD2 LEU 16 24.326 7.704 -14.144 119 HD22 LEU 16 1HD2 LEU 16 23.581 8.974 -15.115 120 HD23 LEU 16 2HD2 LEU 16 24.333 7.587 -15.904 121 H VAL 17 H VAL 17 19.914 10.208 -17.852 122 HA VAL 17 HA VAL 17 22.420 11.663 -17.965 123 HB VAL 17 HB VAL 17 22.036 12.237 -20.407 124 HG11 VAL 17 1HG1 VAL 17 22.683 9.341 -20.235 125 HG12 VAL 17 2HG1 VAL 17 23.542 10.647 -21.055 126 HG13 VAL 17 3HG1 VAL 17 23.666 10.470 -19.304 127 HG21 VAL 17 3HG2 VAL 17 20.630 9.630 -20.686 128 HG22 VAL 17 1HG2 VAL 17 19.689 11.046 -20.215 129 HG23 VAL 17 2HG2 VAL 17 20.593 11.052 -21.729 130 H TYR 18 H TYR 18 22.143 13.916 -18.406 131 HA TYR 18 HA TYR 18 19.426 14.843 -17.792 132 HB2 TYR 18 2HB TYR 18 20.618 16.997 -17.189 133 HB3 TYR 18 3HB TYR 18 20.978 15.614 -16.162 134 HD1 TYR 18 HD2 TYR 18 22.283 17.501 -19.096 135 HD2 TYR 18 HD1 TYR 18 23.191 14.987 -15.785 136 HE1 TYR 18 HE2 TYR 18 24.685 17.817 -19.521 137 HE2 TYR 18 HE1 TYR 18 25.595 15.297 -16.201 138 HH TYR 18 HH TYR 18 27.120 16.025 -17.731 139 H VAL 19 H VAL 19 20.469 14.082 -20.479 140 HA VAL 19 HA VAL 19 21.016 16.287 -22.086 141 HB VAL 19 HB VAL 19 21.139 13.889 -22.801 142 HG11 VAL 19 1HG1 VAL 19 18.301 13.968 -23.644 143 HG12 VAL 19 2HG1 VAL 19 19.314 12.596 -23.190 144 HG13 VAL 19 3HG1 VAL 19 18.624 13.636 -21.943 145 HG21 VAL 19 3HG2 VAL 19 19.576 15.743 -24.597 146 HG22 VAL 19 1HG2 VAL 19 21.330 15.706 -24.414 147 HG23 VAL 19 2HG2 VAL 19 20.489 14.327 -25.122 148 H ASN 20 H ASN 20 18.056 15.288 -20.609 149 HA ASN 20 HA ASN 20 16.119 16.373 -22.238 150 HB2 ASN 20 2HB ASN 20 16.051 16.649 -19.234 151 HB3 ASN 20 3HB ASN 20 14.693 16.438 -20.338 152 HD21 ASN 20 1HD2 ASN 20 15.143 14.367 -21.802 153 HD22 ASN 20 2HD2 ASN 20 15.473 12.943 -20.881 154 H TRP 21 H TRP 21 14.954 18.391 -22.141 155 HA TRP 21 HA TRP 21 15.889 20.664 -20.765 156 HB2 TRP 21 2HB TRP 21 17.114 21.856 -22.371 157 HB3 TRP 21 3HB TRP 21 17.755 20.219 -22.489 158 HD1 TRP 21 HD1 TRP 21 16.420 22.930 -24.590 159 HE1 TRP 21 HE1 TRP 21 15.928 22.082 -26.970 160 HE3 TRP 21 HE3 TRP 21 16.719 17.898 -23.737 161 HZ2 TRP 21 HZ2 TRP 21 15.697 19.607 -28.308 162 HZ3 TRP 21 HZ3 TRP 21 16.349 16.358 -25.620 163 HH2 TRP 21 HH2 TRP 21 15.848 17.197 -27.858 164 H SER 22 H SER 22 14.260 19.380 -23.607 165 HA SER 22 HA SER 22 12.041 21.215 -23.108 166 HB2 SER 22 2HB SER 22 13.640 21.056 -25.638 167 HB3 SER 22 3HB SER 22 11.916 21.418 -25.725 168 HG SER 22 HG SER 22 13.794 22.842 -24.141 169 H SER 23 H SER 23 13.187 18.579 -25.212 170 HA SER 23 HA SER 23 10.494 17.528 -25.454 171 HB2 SER 23 2HB SER 23 13.009 16.208 -26.471 172 HB3 SER 23 3HB SER 23 11.363 16.047 -27.084 173 HG SER 23 HG SER 23 12.183 17.468 -28.461 174 H TYR 24 H TYR 24 11.117 17.502 -22.839 175 HA TYR 24 HA TYR 24 12.460 15.360 -21.743 176 HB2 TYR 24 2HB TYR 24 10.218 17.089 -20.880 177 HB3 TYR 24 3HB TYR 24 10.397 15.569 -20.011 178 HD1 TYR 24 HD2 TYR 24 12.403 18.513 -21.125 179 HD2 TYR 24 HD1 TYR 24 11.849 15.466 -18.208 180 HE1 TYR 24 HE2 TYR 24 14.180 19.514 -19.750 181 HE2 TYR 24 HE1 TYR 24 13.624 16.459 -16.824 182 HH TYR 24 HH TYR 24 15.454 17.914 -16.943 183 HA PRO 25 HA PRO 25 10.244 11.675 -22.610 184 HB2 PRO 25 2HB PRO 25 10.353 10.350 -20.244 185 HB3 PRO 25 3HB PRO 25 11.761 10.563 -21.292 186 HG2 PRO 25 2HG PRO 25 10.966 12.102 -18.850 187 HG3 PRO 25 3HG PRO 25 12.569 11.513 -19.329 188 HD2 PRO 25 2HD PRO 25 11.797 14.084 -19.680 189 HD3 PRO 25 3HD PRO 25 12.915 13.263 -20.787 190 H LYS 26 H LYS 26 8.270 10.583 -22.349 191 HA LYS 26 HA LYS 26 6.162 12.182 -21.225 192 HB2 LYS 26 2HB LYS 26 6.101 9.462 -22.548 193 HB3 LYS 26 3HB LYS 26 4.678 10.396 -22.105 194 HG2 LYS 26 2HG LYS 26 5.110 12.034 -23.723 195 HG3 LYS 26 3HG LYS 26 6.774 11.490 -23.950 196 HD2 LYS 26 2HD LYS 26 4.684 9.479 -24.481 197 HD3 LYS 26 3HD LYS 26 4.737 10.843 -25.601 198 HE2 LYS 26 2HE LYS 26 6.790 10.269 -26.416 199 HE3 LYS 26 3HE LYS 26 7.307 9.531 -24.900 200 HZ1 LYS 26 3HZ LYS 26 5.594 7.746 -25.451 201 HZ2 LYS 26 1HZ LYS 26 7.027 7.754 -26.351 202 HZ3 LYS 26 2HZ LYS 26 5.604 8.377 -27.020 203 H TYR 27 H TYR 27 4.899 11.758 -19.461 204 HA TYR 27 HA TYR 27 5.974 10.520 -17.247 205 HB2 TYR 27 2HB TYR 27 4.254 11.800 -16.530 206 HB3 TYR 27 3HB TYR 27 3.324 11.549 -18.004 207 HD1 TYR 27 HD1 TYR 27 4.408 9.656 -14.967 208 HD2 TYR 27 HD2 TYR 27 1.358 10.351 -17.852 209 HE1 TYR 27 HE1 TYR 27 2.921 8.113 -13.759 210 HE2 TYR 27 HE2 TYR 27 -0.137 8.811 -16.651 211 HH TYR 27 HH TYR 27 0.354 7.811 -13.555 212 H GLU 28 H GLU 28 6.330 8.473 -16.727 213 HA GLU 28 HA GLU 28 4.998 6.365 -18.251 214 HB2 GLU 28 2HB GLU 28 7.614 6.710 -17.155 215 HB3 GLU 28 3HB GLU 28 6.885 5.291 -16.414 216 HG2 GLU 28 2HG GLU 28 6.257 4.904 -19.025 217 HG3 GLU 28 3HG GLU 28 7.813 5.724 -19.157 218 HA PRO 29 HA PRO 29 2.303 5.933 -14.674 219 HB2 PRO 29 2HB PRO 29 0.581 4.227 -15.897 220 HB3 PRO 29 3HB PRO 29 0.541 5.976 -16.148 221 HG2 PRO 29 2HG PRO 29 1.754 3.843 -17.863 222 HG3 PRO 29 3HG PRO 29 0.798 5.257 -18.345 223 HD2 PRO 29 2HD PRO 29 3.499 5.195 -18.524 224 HD3 PRO 29 3HD PRO 29 2.598 6.687 -18.183 225 H GLY 30 H GLY 30 2.684 4.588 -13.032 226 HA2 GLY 30 2HA GLY 30 2.581 2.340 -12.138 227 HA3 GLY 30 3HA GLY 30 3.291 1.766 -13.639 228 H LYS 31 H LYS 31 4.560 4.641 -12.206 229 HA LYS 31 HA LYS 31 6.727 3.169 -10.905 230 HB2 LYS 31 2HB LYS 31 6.990 4.351 -13.459 231 HB3 LYS 31 3HB LYS 31 7.848 5.397 -12.336 232 HG2 LYS 31 2HG LYS 31 8.624 2.834 -11.613 233 HG3 LYS 31 3HG LYS 31 8.581 2.805 -13.377 234 HD2 LYS 31 2HD LYS 31 10.592 3.769 -13.332 235 HD3 LYS 31 3HD LYS 31 9.783 5.231 -12.762 236 HE2 LYS 31 2HE LYS 31 11.650 4.621 -11.310 237 HE3 LYS 31 3HE LYS 31 10.113 4.527 -10.452 238 HZ1 LYS 31 3HZ LYS 31 10.381 2.359 -10.096 239 HZ2 LYS 31 1HZ LYS 31 11.996 2.573 -10.553 240 HZ3 LYS 31 2HZ LYS 31 10.858 2.050 -11.689 241 H GLU 32 H GLU 32 6.989 3.972 -8.938 242 HA GLU 32 HA GLU 32 5.704 6.143 -7.863 243 HB2 GLU 32 2HB GLU 32 7.435 6.092 -6.067 244 HB3 GLU 32 3HB GLU 32 6.746 4.517 -6.436 245 HG2 GLU 32 2HG GLU 32 8.965 4.731 -8.099 246 HG3 GLU 32 3HG GLU 32 9.484 5.400 -6.553 247 H TYR 33 H TYR 33 6.404 8.250 -7.223 248 HA TYR 33 HA TYR 33 8.679 9.345 -8.712 249 HB2 TYR 33 2HB TYR 33 5.852 10.404 -8.770 250 HB3 TYR 33 3HB TYR 33 7.246 11.358 -9.263 251 HD1 TYR 33 HD1 TYR 33 8.791 10.198 -11.066 252 HD2 TYR 33 HD2 TYR 33 4.712 9.200 -10.379 253 HE1 TYR 33 HE1 TYR 33 8.652 9.239 -13.327 254 HE2 TYR 33 HE2 TYR 33 4.562 8.237 -12.639 255 HH TYR 33 HH TYR 33 5.609 7.886 -14.563 256 H ASN 34 H ASN 34 9.983 10.215 -7.253 257 HA ASN 34 HA ASN 34 8.998 11.085 -4.683 258 HB2 ASN 34 2HB ASN 34 11.749 10.966 -5.918 259 HB3 ASN 34 3HB ASN 34 11.459 11.663 -4.326 260 HD21 ASN 34 1HD2 ASN 34 10.513 8.753 -6.131 261 HD22 ASN 34 2HD2 ASN 34 10.830 7.647 -4.842 262 H GLN 35 H GLN 35 10.089 13.224 -3.845 263 HA GLN 35 HA GLN 35 8.886 15.348 -5.280 264 HB2 GLN 35 2HB GLN 35 9.750 16.789 -3.555 265 HB3 GLN 35 3HB GLN 35 9.179 15.302 -2.809 266 HG2 GLN 35 2HG GLN 35 11.496 14.484 -2.719 267 HG3 GLN 35 3HG GLN 35 12.042 16.015 -3.402 268 HE21 GLN 35 1HE2 GLN 35 10.377 14.569 -0.657 269 HE22 GLN 35 2HE2 GLN 35 10.812 15.791 0.483 270 H GLY 36 H GLY 36 9.668 16.677 -6.795 271 HA2 GLY 36 2HA GLY 36 11.436 18.016 -7.722 272 HA3 GLY 36 3HA GLY 36 12.584 16.798 -7.188 273 H ASP 37 H ASP 37 10.660 14.686 -8.209 274 HA ASP 37 HA ASP 37 11.888 14.195 -10.663 275 HB2 ASP 37 2HB ASP 37 10.898 12.220 -10.330 276 HB3 ASP 37 3HB ASP 37 9.962 12.915 -9.010 277 H ILE 38 H ILE 38 11.525 14.848 -12.691 278 HA ILE 38 HA ILE 38 9.075 16.404 -13.218 279 HB ILE 38 HB ILE 38 11.817 16.826 -14.413 280 HG12 ILE 38 2HG1 ILE 38 10.823 19.159 -13.170 281 HG13 ILE 38 3HG1 ILE 38 10.549 17.842 -12.036 282 HG21 ILE 38 1HG2 ILE 38 10.585 17.576 -16.145 283 HG22 ILE 38 2HG2 ILE 38 9.131 17.764 -15.167 284 HG23 ILE 38 3HG2 ILE 38 10.388 18.999 -15.123 285 HD11 ILE 38 3HD1 ILE 38 12.978 17.224 -12.393 286 HD12 ILE 38 1HD1 ILE 38 13.145 18.783 -13.201 287 HD13 ILE 38 2HD1 ILE 38 12.657 18.715 -11.507 288 H VAL 39 H VAL 39 7.853 15.807 -14.904 289 HA VAL 39 HA VAL 39 8.994 14.146 -17.018 290 HB VAL 39 HB VAL 39 7.342 12.432 -16.875 291 HG11 VAL 39 1HG1 VAL 39 9.260 12.111 -15.428 292 HG12 VAL 39 2HG1 VAL 39 8.456 12.997 -14.130 293 HG13 VAL 39 3HG1 VAL 39 7.813 11.447 -14.670 294 HG21 VAL 39 3HG2 VAL 39 5.712 12.475 -14.899 295 HG22 VAL 39 1HG2 VAL 39 6.082 14.196 -14.801 296 HG23 VAL 39 2HG2 VAL 39 5.365 13.530 -16.269 297 H GLU 40 H GLU 40 7.907 14.269 -18.976 298 HA GLU 40 HA GLU 40 6.124 16.550 -19.229 299 HB2 GLU 40 2HB GLU 40 7.896 16.481 -20.826 300 HB3 GLU 40 3HB GLU 40 7.542 14.810 -21.244 301 HG2 GLU 40 2HG GLU 40 5.400 15.522 -22.206 302 HG3 GLU 40 3HG GLU 40 5.801 17.196 -21.826 303 H TYR 41 H TYR 41 4.058 16.480 -20.102 304 HA TYR 41 HA TYR 41 2.868 13.947 -20.834 305 HB2 TYR 41 2HB TYR 41 2.614 13.802 -18.444 306 HB3 TYR 41 3HB TYR 41 1.991 15.447 -18.361 307 HD1 TYR 41 HD1 TYR 41 -0.277 15.955 -19.219 308 HD2 TYR 41 HD2 TYR 41 1.193 11.968 -19.009 309 HE1 TYR 41 HE1 TYR 41 -2.573 15.102 -19.445 310 HE2 TYR 41 HE2 TYR 41 -1.098 11.104 -19.235 311 HH TYR 41 HH TYR 41 -3.238 11.715 -19.915 312 H ASN 42 H ASN 42 1.531 14.304 -22.471 313 HA ASN 42 HA ASN 42 0.223 15.369 -24.000 314 HB2 ASN 42 2HB ASN 42 -1.154 15.455 -21.763 315 HB3 ASN 42 3HB ASN 42 -0.821 17.181 -21.856 316 HD21 ASN 42 1HD2 ASN 42 -3.263 17.037 -21.943 317 HD22 ASN 42 2HD2 ASN 42 -3.972 16.976 -23.516 318 H GLY 43 H GLY 43 2.889 16.488 -23.332 319 HA2 GLY 43 2HA GLY 43 4.097 18.193 -24.357 320 HA3 GLY 43 3HA GLY 43 2.583 18.962 -24.804 321 H LYS 44 H LYS 44 3.068 18.021 -21.513 322 HA LYS 44 HA LYS 44 3.521 20.845 -20.800 323 HB2 LYS 44 2HB LYS 44 1.881 18.755 -19.358 324 HB3 LYS 44 3HB LYS 44 2.261 20.341 -18.698 325 HG2 LYS 44 2HG LYS 44 1.199 21.093 -21.034 326 HG3 LYS 44 3HG LYS 44 0.339 19.569 -20.801 327 HD2 LYS 44 2HD LYS 44 -0.856 20.363 -19.059 328 HD3 LYS 44 3HD LYS 44 0.497 21.303 -18.427 329 HE2 LYS 44 2HE LYS 44 0.052 22.765 -20.568 330 HE3 LYS 44 3HE LYS 44 -1.553 22.043 -20.462 331 HZ1 LYS 44 3HZ LYS 44 -0.397 23.198 -18.033 332 HZ2 LYS 44 1HZ LYS 44 -2.013 23.119 -18.526 333 HZ3 LYS 44 2HZ LYS 44 -0.973 24.259 -19.217 334 H LEU 45 H LEU 45 4.139 20.789 -18.245 335 HA LEU 45 HA LEU 45 6.157 18.731 -17.775 336 HB2 LEU 45 2HB LEU 45 6.675 21.643 -18.150 337 HB3 LEU 45 3HB LEU 45 7.653 20.741 -16.995 338 HG LEU 45 HG LEU 45 7.412 20.157 -19.946 339 HD11 LEU 45 1HD1 LEU 45 9.112 21.929 -18.419 340 HD12 LEU 45 2HD1 LEU 45 8.938 21.757 -20.166 341 HD13 LEU 45 3HD1 LEU 45 10.048 20.709 -19.283 342 HD21 LEU 45 3HD2 LEU 45 9.418 18.667 -19.360 343 HD22 LEU 45 1HD2 LEU 45 7.805 18.088 -18.943 344 HD23 LEU 45 2HD2 LEU 45 8.842 18.781 -17.696 345 H TYR 46 H TYR 46 5.614 17.931 -15.860 346 HA TYR 46 HA TYR 46 4.770 19.804 -13.746 347 HB2 TYR 46 2HB TYR 46 4.027 16.887 -14.047 348 HB3 TYR 46 3HB TYR 46 3.484 17.965 -12.766 349 HD1 TYR 46 HD2 TYR 46 1.870 19.759 -13.253 350 HD2 TYR 46 HD1 TYR 46 3.040 16.961 -16.237 351 HE1 TYR 46 HE2 TYR 46 -0.063 20.419 -14.622 352 HE2 TYR 46 HE1 TYR 46 1.109 17.614 -17.614 353 HH TYR 46 HH TYR 46 -0.810 18.773 -17.662 354 H LYS 47 H LYS 47 5.425 19.308 -11.578 355 HA LYS 47 HA LYS 47 7.748 17.517 -11.376 356 HB2 LYS 47 2HB LYS 47 8.716 19.687 -11.550 357 HB3 LYS 47 3HB LYS 47 7.540 20.376 -10.439 358 HG2 LYS 47 2HG LYS 47 8.685 19.732 -8.619 359 HG3 LYS 47 3HG LYS 47 9.170 18.194 -9.337 360 HD2 LYS 47 2HD LYS 47 11.180 19.020 -9.803 361 HD3 LYS 47 3HD LYS 47 10.449 20.315 -10.754 362 HE2 LYS 47 2HE LYS 47 10.892 20.345 -7.770 363 HE3 LYS 47 3HE LYS 47 11.870 21.195 -8.964 364 HZ1 LYS 47 3HZ LYS 47 10.399 22.840 -9.070 365 HZ2 LYS 47 1HZ LYS 47 9.681 22.189 -7.682 366 HZ3 LYS 47 2HZ LYS 47 9.083 21.787 -9.213 367 H ALA 48 H ALA 48 7.264 15.992 -9.951 368 HA ALA 48 HA ALA 48 5.145 16.007 -8.162 369 HB1 ALA 48 1HB ALA 48 7.655 14.398 -8.351 370 HB2 ALA 48 2HB ALA 48 6.581 14.195 -6.967 371 HB3 ALA 48 3HB ALA 48 5.981 13.902 -8.600 372 H LYS 49 H LYS 49 4.789 17.101 -6.355 373 HA LYS 49 HA LYS 49 6.799 18.730 -5.153 374 HB2 LYS 49 2HB LYS 49 4.040 18.034 -4.130 375 HB3 LYS 49 3HB LYS 49 5.055 19.350 -3.554 376 HG2 LYS 49 2HG LYS 49 4.890 20.467 -5.684 377 HG3 LYS 49 3HG LYS 49 3.985 19.110 -6.359 378 HD2 LYS 49 2HD LYS 49 2.065 19.657 -5.242 379 HD3 LYS 49 3HD LYS 49 2.932 20.405 -3.897 380 HE2 LYS 49 2HE LYS 49 3.618 22.116 -5.816 381 HE3 LYS 49 3HE LYS 49 2.099 21.551 -6.507 382 HZ1 LYS 49 3HZ LYS 49 2.413 22.671 -3.774 383 HZ2 LYS 49 1HZ LYS 49 0.961 22.190 -4.496 384 HZ3 LYS 49 2HZ LYS 49 1.810 23.518 -5.109 385 H TYR 50 H TYR 50 5.049 15.820 -4.100 386 HA TYR 50 HA TYR 50 7.300 15.173 -2.348 387 HB2 TYR 50 2HB TYR 50 5.971 14.808 -0.427 388 HB3 TYR 50 3HB TYR 50 5.453 16.369 -1.057 389 HD1 TYR 50 HD2 TYR 50 3.454 16.115 -2.871 390 HD2 TYR 50 HD1 TYR 50 4.302 13.399 0.294 391 HE1 TYR 50 HE2 TYR 50 1.128 15.321 -2.936 392 HE2 TYR 50 HE1 TYR 50 1.978 12.597 0.236 393 HH TYR 50 HH TYR 50 -0.024 12.937 -2.180 394 H TRP 51 H TRP 51 6.957 12.896 -1.397 395 HA TRP 51 HA TRP 51 6.926 11.030 -3.418 396 HB2 TRP 51 2HB TRP 51 7.478 10.932 -0.774 397 HB3 TRP 51 3HB TRP 51 5.943 10.067 -0.796 398 HD1 TRP 51 HD1 TRP 51 9.416 9.881 -2.511 399 HE1 TRP 51 HE1 TRP 51 9.911 7.409 -3.030 400 HE3 TRP 51 HE3 TRP 51 4.989 7.829 -0.984 401 HZ2 TRP 51 HZ2 TRP 51 8.598 4.919 -2.821 402 HZ3 TRP 51 HZ3 TRP 51 4.689 5.395 -1.178 403 HH2 TRP 51 HH2 TRP 51 6.457 3.971 -2.077 404 H THR 52 H THR 52 5.346 10.531 -4.778 405 HA THR 52 HA THR 52 2.791 9.645 -3.805 406 HB THR 52 HB THR 52 2.772 12.024 -5.666 407 HG1 THR 52 HG1 THR 52 2.324 11.897 -2.852 408 HG21 THR 52 3HG2 THR 52 0.757 10.172 -4.596 409 HG22 THR 52 1HG2 THR 52 0.720 11.170 -6.048 410 HG23 THR 52 2HG2 THR 52 0.327 11.878 -4.482 411 H THR 53 H THR 53 1.542 8.578 -5.409 412 HA THR 53 HA THR 53 2.934 8.124 -7.964 413 HB THR 53 HB THR 53 2.399 5.764 -7.891 414 HG1 THR 53 HG1 THR 53 1.389 6.163 -5.261 415 HG21 THR 53 3HG2 THR 53 4.256 7.026 -6.235 416 HG22 THR 53 1HG2 THR 53 4.264 5.338 -6.742 417 HG23 THR 53 2HG2 THR 53 3.502 5.797 -5.220 418 H SER 54 H SER 54 1.644 9.012 -9.448 419 HA SER 54 HA SER 54 -0.817 7.938 -10.161 420 HB2 SER 54 2HB SER 54 -2.034 8.828 -8.419 421 HB3 SER 54 3HB SER 54 -0.965 10.219 -8.242 422 HG SER 54 HG SER 54 -2.300 11.283 -9.446 423 HA PRO 55 HA PRO 55 0.134 10.233 -13.781 424 HB2 PRO 55 2HB PRO 55 -2.305 10.320 -14.971 425 HB3 PRO 55 3HB PRO 55 -1.330 8.849 -14.885 426 HG2 PRO 55 2HG PRO 55 -3.633 9.698 -13.170 427 HG3 PRO 55 3HG PRO 55 -3.280 8.103 -13.860 428 HD2 PRO 55 2HD PRO 55 -2.742 8.724 -11.281 429 HD3 PRO 55 3HD PRO 55 -1.747 7.590 -12.218 430 HA PRO 56 HA PRO 56 -0.763 14.493 -13.107 431 HB2 PRO 56 2HB PRO 56 -0.401 15.463 -15.616 432 HB3 PRO 56 3HB PRO 56 0.937 14.945 -14.585 433 HG2 PRO 56 2HG PRO 56 -0.423 13.468 -16.805 434 HG3 PRO 56 3HG PRO 56 1.307 13.591 -16.438 435 HD2 PRO 56 2HD PRO 56 -0.175 11.428 -15.764 436 HD3 PRO 56 3HD PRO 56 1.200 11.984 -14.788 437 H SER 57 H SER 57 -2.582 15.652 -12.953 438 HA SER 57 HA SER 57 -4.407 16.193 -14.971 439 HB2 SER 57 2HB SER 57 -4.765 13.567 -13.800 440 HB3 SER 57 3HB SER 57 -6.185 14.578 -13.526 441 HG SER 57 HG SER 57 -6.234 13.421 -15.534 442 H ASP 58 H ASP 58 -4.971 15.106 -11.623 443 HA ASP 58 HA ASP 58 -5.462 17.884 -10.838 444 HB2 ASP 58 2HB ASP 58 -7.608 16.510 -11.480 445 HB3 ASP 58 3HB ASP 58 -7.373 15.782 -9.892 446 H ASP 59 H ASP 59 -4.194 18.283 -9.163 447 HA ASP 59 HA ASP 59 -3.587 16.090 -7.293 448 HB2 ASP 59 2HB ASP 59 -1.686 17.835 -6.666 449 HB3 ASP 59 3HB ASP 59 -1.502 16.719 -8.016 450 HA PRO 60 HA PRO 60 -6.286 18.940 -4.885 451 HB2 PRO 60 2HB PRO 60 -7.485 16.953 -3.476 452 HB3 PRO 60 3HB PRO 60 -8.035 17.463 -5.076 453 HG2 PRO 60 2HG PRO 60 -6.320 15.130 -4.317 454 HG3 PRO 60 3HG PRO 60 -7.660 15.203 -5.476 455 HD2 PRO 60 2HD PRO 60 -5.064 15.271 -6.244 456 HD3 PRO 60 3HD PRO 60 -6.343 16.124 -7.130 457 H TYR 61 H TYR 61 -3.835 16.671 -4.174 458 HA TYR 61 HA TYR 61 -3.691 17.613 -1.387 459 HB2 TYR 61 2HB TYR 61 -2.017 15.475 -1.429 460 HB3 TYR 61 3HB TYR 61 -3.720 15.383 -0.993 461 HD1 TYR 61 HD2 TYR 61 -1.374 14.995 -3.848 462 HD2 TYR 61 HD1 TYR 61 -5.201 14.059 -2.240 463 HE1 TYR 61 HE2 TYR 61 -1.751 13.405 -5.687 464 HE2 TYR 61 HE1 TYR 61 -5.588 12.467 -4.074 465 HH TYR 61 HH TYR 61 -3.071 11.753 -6.450 466 H GLY 62 H GLY 62 -2.354 18.056 -4.373 467 HA2 GLY 62 2HA GLY 62 -0.543 19.388 -4.951 468 HA3 GLY 62 3HA GLY 62 -0.068 19.424 -3.260 469 H SER 63 H SER 63 -0.507 16.757 -5.579 470 HA SER 63 HA SER 63 2.012 15.608 -4.693 471 HB2 SER 63 2HB SER 63 0.446 13.912 -4.893 472 HB3 SER 63 3HB SER 63 -0.313 14.637 -6.310 473 HG SER 63 HG SER 63 0.825 13.118 -7.266 474 H TRP 64 H TRP 64 0.901 17.635 -7.160 475 HA TRP 64 HA TRP 64 3.435 17.296 -8.600 476 HB2 TRP 64 2HB TRP 64 0.668 17.263 -9.772 477 HB3 TRP 64 3HB TRP 64 2.041 17.810 -10.729 478 HD1 TRP 64 HD1 TRP 64 0.313 14.700 -9.544 479 HE1 TRP 64 HE1 TRP 64 1.570 12.625 -10.405 480 HE3 TRP 64 HE3 TRP 64 4.557 16.977 -11.260 481 HZ2 TRP 64 HZ2 TRP 64 4.035 12.032 -11.647 482 HZ3 TRP 64 HZ3 TRP 64 6.317 15.584 -12.270 483 HH2 TRP 64 HH2 TRP 64 6.060 13.163 -12.458 484 H GLU 65 H GLU 65 4.114 19.176 -9.792 485 HA GLU 65 HA GLU 65 2.712 21.662 -9.116 486 HB2 GLU 65 2HB GLU 65 4.486 21.341 -7.438 487 HB3 GLU 65 3HB GLU 65 5.675 21.208 -8.725 488 HG2 GLU 65 2HG GLU 65 5.170 23.508 -9.411 489 HG3 GLU 65 3HG GLU 65 4.016 23.636 -8.085 490 H TYR 66 H TYR 66 2.126 22.290 -11.109 491 HA TYR 66 HA TYR 66 3.579 21.802 -13.469 492 HB2 TYR 66 2HB TYR 66 1.286 22.236 -13.754 493 HB3 TYR 66 3HB TYR 66 1.347 23.693 -12.769 494 HD1 TYR 66 HD1 TYR 66 2.137 25.796 -13.701 495 HD2 TYR 66 HD2 TYR 66 1.980 22.273 -16.082 496 HE1 TYR 66 HE1 TYR 66 2.400 27.162 -15.729 497 HE2 TYR 66 HE2 TYR 66 2.244 23.629 -18.116 498 HH TYR 66 HH TYR 66 2.733 25.672 -18.916 499 H LEU 67 H LEU 67 5.516 22.596 -13.931 500 HA LEU 67 HA LEU 67 6.249 25.262 -12.959 501 HB2 LEU 67 2HB LEU 67 8.132 23.357 -14.292 502 HB3 LEU 67 3HB LEU 67 8.485 24.643 -13.139 503 HG LEU 67 HG LEU 67 7.111 22.041 -12.470 504 HD11 LEU 67 1HD1 LEU 67 9.438 21.998 -11.118 505 HD12 LEU 67 2HD1 LEU 67 9.942 22.845 -12.581 506 HD13 LEU 67 3HD1 LEU 67 9.206 21.247 -12.697 507 HD21 LEU 67 3HD2 LEU 67 8.328 23.647 -10.349 508 HD22 LEU 67 1HD2 LEU 67 6.771 22.821 -10.398 509 HD23 LEU 67 2HD2 LEU 67 6.947 24.415 -11.133 510 H GLY 68 H GLY 68 5.785 23.390 -15.878 511 HA2 GLY 68 2HA GLY 68 5.424 25.704 -17.471 512 HA3 GLY 68 3HA GLY 68 7.023 25.031 -17.753 513 H GLU 69 H GLU 69 6.296 24.701 -19.953 514 HA GLU 69 HA GLU 69 4.759 22.204 -20.210 515 HB2 GLU 69 2HB GLU 69 4.177 24.811 -21.348 516 HB3 GLU 69 3HB GLU 69 4.367 23.589 -22.599 517 HG2 GLU 69 2HG GLU 69 2.599 22.303 -21.779 518 HG3 GLU 69 3HG GLU 69 2.603 23.132 -20.223 519 H ALA 70 H ALA 70 5.235 20.975 -22.160 520 HA ALA 70 HA ALA 70 8.018 20.738 -22.611 521 HB1 ALA 70 1HB ALA 70 5.653 19.500 -24.002 522 HB2 ALA 70 2HB ALA 70 7.328 19.086 -24.367 523 HB3 ALA 70 3HB ALA 70 6.675 18.780 -22.758 524 H GLU 71 H GLU 71 5.389 22.168 -24.481 525 HA GLU 71 HA GLU 71 7.365 23.117 -26.447 526 HB2 GLU 71 2HB GLU 71 4.639 22.106 -26.685 527 HB3 GLU 71 3HB GLU 71 4.860 23.646 -27.505 528 HG2 GLU 71 2HG GLU 71 6.906 22.588 -28.589 529 HG3 GLU 71 3HG GLU 71 6.277 21.051 -27.997 530 HA PRO 72 HA PRO 72 6.601 27.011 -24.309 531 HB2 PRO 72 2HB PRO 72 8.696 28.303 -25.455 532 HB3 PRO 72 3HB PRO 72 8.879 27.203 -24.083 533 HG2 PRO 72 2HG PRO 72 9.343 26.691 -26.996 534 HG3 PRO 72 3HG PRO 72 10.324 26.199 -25.603 535 HD2 PRO 72 2HD PRO 72 8.617 24.508 -26.852 536 HD3 PRO 72 3HD PRO 72 8.958 24.409 -25.113 537 H THR 73 H THR 73 5.546 28.836 -24.932 538 HA THR 73 HA THR 73 5.108 29.202 -27.825 539 HB THR 73 HB THR 73 3.081 30.506 -26.264 540 HG1 THR 73 HG1 THR 73 2.777 29.062 -24.755 541 HG21 THR 73 3HG2 THR 73 3.035 29.699 -28.666 542 HG22 THR 73 1HG2 THR 73 1.601 29.341 -27.705 543 HG23 THR 73 2HG2 THR 73 2.789 28.077 -28.020 Start of MODEL 8 1 H1 GLY 1 H GLY 1 30.203 3.888 6.187 2 HA2 GLY 1 2HA GLY 1 29.137 2.331 4.530 3 HA3 GLY 1 3HA GLY 1 27.964 3.212 5.499 4 HA PRO 2 HA PRO 2 26.960 3.862 1.015 5 HB2 PRO 2 2HB PRO 2 24.311 3.335 1.285 6 HB3 PRO 2 3HB PRO 2 25.516 2.075 0.992 7 HG2 PRO 2 2HG PRO 2 24.235 2.911 3.565 8 HG3 PRO 2 3HG PRO 2 24.565 1.277 2.958 9 HD2 PRO 2 2HD PRO 2 26.143 2.496 4.791 10 HD3 PRO 2 3HD PRO 2 26.781 1.353 3.591 11 H SER 3 H SER 3 25.931 5.641 0.105 12 HA SER 3 HA SER 3 24.606 7.500 1.957 13 HB2 SER 3 2HB SER 3 25.869 9.233 0.292 14 HB3 SER 3 3HB SER 3 26.518 8.723 1.850 15 HG SER 3 HG SER 3 27.937 8.527 -0.063 16 H THR 4 H THR 4 22.784 8.388 1.197 17 HA THR 4 HA THR 4 21.812 7.559 -1.388 18 HB THR 4 HB THR 4 19.732 8.733 -0.752 19 HG1 THR 4 HG1 THR 4 20.131 10.361 0.575 20 HG21 THR 4 3HG2 THR 4 19.063 6.995 0.514 21 HG22 THR 4 1HG2 THR 4 20.298 7.284 1.739 22 HG23 THR 4 2HG2 THR 4 20.704 6.399 0.268 23 H SER 5 H SER 5 22.201 8.633 -3.198 24 HA SER 5 HA SER 5 22.661 11.540 -3.044 25 HB2 SER 5 2HB SER 5 23.726 9.499 -5.007 26 HB3 SER 5 3HB SER 5 23.916 11.241 -5.202 27 HG SER 5 HG SER 5 25.736 10.461 -4.183 28 H MET 6 H MET 6 22.042 12.745 -5.043 29 HA MET 6 HA MET 6 20.476 13.446 -6.535 30 HB2 MET 6 2HB MET 6 21.183 11.335 -7.700 31 HB3 MET 6 3HB MET 6 19.834 10.519 -6.921 32 HG2 MET 6 2HG MET 6 18.305 11.445 -8.287 33 HG3 MET 6 3HG MET 6 19.166 12.979 -8.390 34 HE1 MET 6 3HE MET 6 20.881 13.180 -11.346 35 HE2 MET 6 1HE MET 6 19.143 13.062 -11.622 36 HE3 MET 6 2HE MET 6 19.753 13.813 -10.148 37 H GLU 7 H GLU 7 18.143 13.661 -6.871 38 HA GLU 7 HA GLU 7 16.453 12.483 -4.803 39 HB2 GLU 7 2HB GLU 7 17.102 15.395 -5.054 40 HB3 GLU 7 3HB GLU 7 15.504 14.913 -4.502 41 HG2 GLU 7 2HG GLU 7 16.313 14.711 -2.459 42 HG3 GLU 7 3HG GLU 7 17.328 13.384 -3.022 43 H ASN 8 H ASN 8 16.857 12.703 -7.870 44 HA ASN 8 HA ASN 8 14.012 12.800 -8.465 45 HB2 ASN 8 2HB ASN 8 15.797 14.328 -10.318 46 HB3 ASN 8 3HB ASN 8 14.065 14.492 -10.047 47 HD21 ASN 8 1HD2 ASN 8 13.389 16.083 -8.789 48 HD22 ASN 8 2HD2 ASN 8 14.386 17.035 -7.748 49 H LEU 9 H LEU 9 14.286 10.552 -8.781 50 HA LEU 9 HA LEU 9 16.178 9.425 -10.546 51 HB2 LEU 9 2HB LEU 9 14.961 7.404 -10.340 52 HB3 LEU 9 3HB LEU 9 14.897 8.213 -8.776 53 HG LEU 9 HG LEU 9 12.603 8.873 -10.421 54 HD11 LEU 9 1HD1 LEU 9 11.552 6.627 -10.237 55 HD12 LEU 9 2HD1 LEU 9 13.136 5.969 -9.825 56 HD13 LEU 9 3HD1 LEU 9 12.873 6.708 -11.404 57 HD21 LEU 9 3HD2 LEU 9 12.478 9.338 -8.135 58 HD22 LEU 9 1HD2 LEU 9 13.116 7.756 -7.683 59 HD23 LEU 9 2HD2 LEU 9 11.482 7.896 -8.333 60 H VAL 10 H VAL 10 13.399 11.256 -11.133 61 HA VAL 10 HA VAL 10 12.280 10.200 -13.418 62 HB VAL 10 HB VAL 10 11.542 12.278 -12.176 63 HG11 VAL 10 1HG1 VAL 10 13.461 13.694 -14.013 64 HG12 VAL 10 2HG1 VAL 10 12.449 14.395 -12.747 65 HG13 VAL 10 3HG1 VAL 10 13.811 13.359 -12.317 66 HG21 VAL 10 3HG2 VAL 10 11.631 12.901 -15.088 67 HG22 VAL 10 1HG2 VAL 10 10.843 11.416 -14.557 68 HG23 VAL 10 2HG2 VAL 10 10.277 12.976 -13.960 69 H SER 11 H SER 11 15.351 11.796 -13.026 70 HA SER 11 HA SER 11 15.798 12.265 -15.816 71 HB2 SER 11 2HB SER 11 17.982 12.074 -13.755 72 HB3 SER 11 3HB SER 11 17.910 13.088 -15.196 73 HG SER 11 HG SER 11 17.026 14.566 -14.011 74 H LEU 12 H LEU 12 16.758 9.777 -13.497 75 HA LEU 12 HA LEU 12 18.179 8.300 -15.565 76 HB2 LEU 12 2HB LEU 12 19.025 8.546 -13.206 77 HB3 LEU 12 3HB LEU 12 17.705 7.493 -12.704 78 HG LEU 12 HG LEU 12 19.241 6.274 -14.821 79 HD11 LEU 12 1HD1 LEU 12 21.249 5.871 -13.298 80 HD12 LEU 12 2HD1 LEU 12 20.726 7.316 -12.431 81 HD13 LEU 12 3HD1 LEU 12 21.162 7.422 -14.137 82 HD21 LEU 12 3HD2 LEU 12 19.155 5.299 -12.006 83 HD22 LEU 12 1HD2 LEU 12 19.018 4.400 -13.518 84 HD23 LEU 12 2HD2 LEU 12 17.658 5.362 -12.938 85 H GLN 13 H GLN 13 15.088 8.695 -15.083 86 HA GLN 13 HA GLN 13 14.098 6.037 -14.766 87 HB2 GLN 13 2HB GLN 13 12.957 8.702 -15.349 88 HB3 GLN 13 3HB GLN 13 12.038 7.328 -15.947 89 HG2 GLN 13 2HG GLN 13 12.005 6.387 -13.678 90 HG3 GLN 13 3HG GLN 13 12.870 7.808 -13.096 91 HE21 GLN 13 1HE2 GLN 13 11.216 8.397 -11.710 92 HE22 GLN 13 2HE2 GLN 13 9.722 9.054 -12.275 93 H ASN 14 H ASN 14 15.639 7.584 -17.298 94 HA ASN 14 HA ASN 14 14.670 5.552 -19.184 95 HB2 ASN 14 2HB ASN 14 15.093 8.480 -19.828 96 HB3 ASN 14 3HB ASN 14 14.735 7.224 -21.010 97 HD21 ASN 14 1HD2 ASN 14 12.681 6.270 -21.023 98 HD22 ASN 14 2HD2 ASN 14 11.324 7.042 -20.283 99 H LEU 15 H LEU 15 16.978 8.245 -19.440 100 HA LEU 15 HA LEU 15 19.322 6.774 -19.082 101 HB2 LEU 15 2HB LEU 15 18.069 6.462 -21.682 102 HB3 LEU 15 3HB LEU 15 19.704 7.110 -21.804 103 HG LEU 15 HG LEU 15 19.353 4.734 -20.077 104 HD11 LEU 15 1HD1 LEU 15 18.928 4.702 -23.046 105 HD12 LEU 15 2HD1 LEU 15 17.971 3.932 -21.782 106 HD13 LEU 15 3HD1 LEU 15 19.570 3.303 -22.183 107 HD21 LEU 15 3HD2 LEU 15 21.523 5.882 -20.534 108 HD22 LEU 15 1HD2 LEU 15 21.371 5.383 -22.218 109 HD23 LEU 15 2HD2 LEU 15 21.506 4.168 -20.948 110 H LEU 16 H LEU 16 20.736 8.290 -18.550 111 HA LEU 16 HA LEU 16 20.660 10.859 -19.992 112 HB2 LEU 16 2HB LEU 16 21.343 11.963 -17.925 113 HB3 LEU 16 3HB LEU 16 19.791 11.145 -17.751 114 HG LEU 16 HG LEU 16 21.877 9.382 -16.903 115 HD11 LEU 16 1HD1 LEU 16 23.120 11.524 -16.572 116 HD12 LEU 16 2HD1 LEU 16 22.852 10.594 -15.098 117 HD13 LEU 16 3HD1 LEU 16 21.860 12.012 -15.438 118 HD21 LEU 16 3HD2 LEU 16 19.323 9.770 -16.287 119 HD22 LEU 16 1HD2 LEU 16 20.047 10.716 -14.986 120 HD23 LEU 16 2HD2 LEU 16 20.454 9.009 -15.168 121 H VAL 17 H VAL 17 22.229 9.131 -21.143 122 HA VAL 17 HA VAL 17 24.855 8.938 -20.025 123 HB VAL 17 HB VAL 17 25.518 8.086 -22.246 124 HG11 VAL 17 1HG1 VAL 17 23.540 6.266 -22.250 125 HG12 VAL 17 2HG1 VAL 17 24.849 6.278 -21.066 126 HG13 VAL 17 3HG1 VAL 17 23.285 6.987 -20.661 127 HG21 VAL 17 3HG2 VAL 17 24.380 8.971 -23.970 128 HG22 VAL 17 1HG2 VAL 17 23.225 7.678 -23.652 129 HG23 VAL 17 2HG2 VAL 17 22.948 9.290 -22.990 130 H TYR 18 H TYR 18 23.252 11.087 -22.299 131 HA TYR 18 HA TYR 18 25.606 12.416 -23.181 132 HB2 TYR 18 2HB TYR 18 22.830 12.501 -23.771 133 HB3 TYR 18 3HB TYR 18 23.327 14.138 -23.356 134 HD1 TYR 18 HD2 TYR 18 23.919 11.319 -25.664 135 HD2 TYR 18 HD1 TYR 18 24.716 15.413 -24.817 136 HE1 TYR 18 HE2 TYR 18 24.862 11.596 -27.918 137 HE2 TYR 18 HE1 TYR 18 25.660 15.701 -27.070 138 HH TYR 18 HH TYR 18 25.734 13.010 -29.389 139 H VAL 19 H VAL 19 22.937 13.846 -21.306 140 HA VAL 19 HA VAL 19 24.846 14.968 -19.409 141 HB VAL 19 HB VAL 19 24.123 17.236 -19.666 142 HG11 VAL 19 1HG1 VAL 19 25.872 16.300 -21.228 143 HG12 VAL 19 2HG1 VAL 19 24.611 16.232 -22.461 144 HG13 VAL 19 3HG1 VAL 19 25.080 17.782 -21.761 145 HG21 VAL 19 3HG2 VAL 19 22.587 17.675 -21.755 146 HG22 VAL 19 1HG2 VAL 19 22.051 16.026 -21.431 147 HG23 VAL 19 2HG2 VAL 19 21.888 17.266 -20.189 148 H ASN 20 H ASN 20 23.206 16.706 -18.078 149 HA ASN 20 HA ASN 20 21.306 14.860 -16.858 150 HB2 ASN 20 2HB ASN 20 21.175 16.712 -15.100 151 HB3 ASN 20 3HB ASN 20 22.717 15.875 -15.253 152 HD21 ASN 20 1HD2 ASN 20 23.928 17.537 -14.434 153 HD22 ASN 20 2HD2 ASN 20 24.174 19.026 -15.274 154 H TRP 21 H TRP 21 20.574 15.872 -19.385 155 HA TRP 21 HA TRP 21 17.947 16.684 -18.920 156 HB2 TRP 21 2HB TRP 21 18.644 18.829 -18.242 157 HB3 TRP 21 3HB TRP 21 19.884 18.917 -19.490 158 HD1 TRP 21 HD1 TRP 21 16.228 19.643 -18.861 159 HE1 TRP 21 HE1 TRP 21 15.225 20.803 -20.928 160 HE3 TRP 21 HE3 TRP 21 20.112 18.995 -22.122 161 HZ2 TRP 21 HZ2 TRP 21 15.978 21.368 -23.588 162 HZ3 TRP 21 HZ3 TRP 21 19.890 19.874 -24.410 163 HH2 TRP 21 HH2 TRP 21 17.865 21.036 -25.125 164 H SER 22 H SER 22 16.766 16.304 -20.707 165 HA SER 22 HA SER 22 17.491 16.827 -23.346 166 HB2 SER 22 2HB SER 22 17.748 14.249 -23.934 167 HB3 SER 22 3HB SER 22 19.145 15.232 -23.496 168 HG SER 22 HG SER 22 19.368 13.618 -22.120 169 H SER 23 H SER 23 15.246 17.465 -22.885 170 HA SER 23 HA SER 23 12.986 17.210 -23.026 171 HB2 SER 23 2HB SER 23 13.970 15.038 -24.875 172 HB3 SER 23 3HB SER 23 12.255 15.405 -24.685 173 HG SER 23 HG SER 23 14.169 16.743 -26.077 174 H TYR 24 H TYR 24 12.585 16.679 -20.868 175 HA TYR 24 HA TYR 24 12.893 14.264 -19.598 176 HB2 TYR 24 2HB TYR 24 10.538 16.125 -19.231 177 HB3 TYR 24 3HB TYR 24 11.159 14.973 -18.055 178 HD1 TYR 24 HD2 TYR 24 14.107 15.516 -18.445 179 HD2 TYR 24 HD1 TYR 24 10.784 18.141 -18.029 180 HE1 TYR 24 HE2 TYR 24 15.596 17.247 -17.532 181 HE2 TYR 24 HE1 TYR 24 12.265 19.879 -17.116 182 HH TYR 24 HH TYR 24 15.434 19.248 -16.102 183 HA PRO 25 HA PRO 25 10.109 11.382 -21.391 184 HB2 PRO 25 2HB PRO 25 9.475 9.870 -19.228 185 HB3 PRO 25 3HB PRO 25 11.056 9.804 -20.015 186 HG2 PRO 25 2HG PRO 25 10.231 11.277 -17.542 187 HG3 PRO 25 3HG PRO 25 11.705 10.338 -17.847 188 HD2 PRO 25 2HD PRO 25 11.648 13.043 -17.974 189 HD3 PRO 25 3HD PRO 25 12.715 12.060 -18.999 190 H LYS 26 H LYS 26 7.889 10.475 -21.192 191 HA LYS 26 HA LYS 26 6.058 12.567 -20.295 192 HB2 LYS 26 2HB LYS 26 5.756 10.199 -22.134 193 HB3 LYS 26 3HB LYS 26 4.369 11.123 -21.572 194 HG2 LYS 26 2HG LYS 26 4.833 12.887 -22.897 195 HG3 LYS 26 3HG LYS 26 6.580 12.685 -22.742 196 HD2 LYS 26 2HD LYS 26 6.616 10.959 -24.364 197 HD3 LYS 26 3HD LYS 26 4.858 10.799 -24.336 198 HE2 LYS 26 2HE LYS 26 4.767 12.212 -26.049 199 HE3 LYS 26 3HE LYS 26 5.364 13.476 -24.975 200 HZ1 LYS 26 3HZ LYS 26 6.766 11.975 -27.029 201 HZ2 LYS 26 1HZ LYS 26 7.640 12.275 -25.613 202 HZ3 LYS 26 2HZ LYS 26 6.999 13.564 -26.499 203 H TYR 27 H TYR 27 4.010 11.919 -19.255 204 HA TYR 27 HA TYR 27 4.379 10.629 -16.852 205 HB2 TYR 27 2HB TYR 27 2.412 11.708 -16.670 206 HB3 TYR 27 3HB TYR 27 2.087 11.588 -18.396 207 HD1 TYR 27 HD2 TYR 27 2.065 9.507 -15.297 208 HD2 TYR 27 HD1 TYR 27 0.358 10.228 -19.128 209 HE1 TYR 27 HE2 TYR 27 0.354 7.797 -14.851 210 HE2 TYR 27 HE1 TYR 27 -1.357 8.521 -18.692 211 HH TYR 27 HH TYR 27 -1.632 6.513 -17.254 212 H GLU 28 H GLU 28 4.767 8.588 -16.345 213 HA GLU 28 HA GLU 28 3.693 6.472 -18.093 214 HB2 GLU 28 2HB GLU 28 6.408 6.988 -17.211 215 HB3 GLU 28 3HB GLU 28 5.875 5.382 -16.736 216 HG2 GLU 28 2HG GLU 28 5.376 6.257 -19.528 217 HG3 GLU 28 3HG GLU 28 7.022 5.831 -19.060 218 HA PRO 29 HA PRO 29 1.625 5.538 -14.205 219 HB2 PRO 29 2HB PRO 29 -0.109 3.758 -15.298 220 HB3 PRO 29 3HB PRO 29 -0.339 5.508 -15.395 221 HG2 PRO 29 2HG PRO 29 0.776 3.628 -17.440 222 HG3 PRO 29 3HG PRO 29 -0.364 4.970 -17.657 223 HD2 PRO 29 2HD PRO 29 2.272 5.189 -18.237 224 HD3 PRO 29 3HD PRO 29 1.308 6.556 -17.645 225 H GLY 30 H GLY 30 2.353 4.120 -12.752 226 HA2 GLY 30 2HA GLY 30 2.614 1.840 -12.022 227 HA3 GLY 30 3HA GLY 30 3.078 1.414 -13.662 228 H LYS 31 H LYS 31 4.378 4.302 -12.289 229 HA LYS 31 HA LYS 31 6.847 2.944 -11.504 230 HB2 LYS 31 2HB LYS 31 6.566 4.239 -13.975 231 HB3 LYS 31 3HB LYS 31 7.462 5.365 -12.963 232 HG2 LYS 31 2HG LYS 31 8.671 2.921 -12.482 233 HG3 LYS 31 3HG LYS 31 8.326 2.905 -14.213 234 HD2 LYS 31 2HD LYS 31 9.295 5.446 -13.803 235 HD3 LYS 31 3HD LYS 31 10.272 4.471 -12.703 236 HE2 LYS 31 2HE LYS 31 9.879 3.959 -15.650 237 HE3 LYS 31 3HE LYS 31 11.316 4.661 -14.907 238 HZ1 LYS 31 3HZ LYS 31 10.756 2.260 -13.598 239 HZ2 LYS 31 1HZ LYS 31 12.082 2.627 -14.582 240 HZ3 LYS 31 2HZ LYS 31 10.688 1.953 -15.260 241 H GLU 32 H GLU 32 7.358 3.627 -9.539 242 HA GLU 32 HA GLU 32 6.150 5.625 -8.107 243 HB2 GLU 32 2HB GLU 32 8.392 3.902 -7.757 244 HB3 GLU 32 3HB GLU 32 8.863 5.517 -7.246 245 HG2 GLU 32 2HG GLU 32 6.570 3.870 -6.218 246 HG3 GLU 32 3HG GLU 32 8.027 4.348 -5.350 247 H TYR 33 H TYR 33 6.499 7.777 -7.703 248 HA TYR 33 HA TYR 33 8.523 9.126 -9.363 249 HB2 TYR 33 2HB TYR 33 5.632 9.878 -8.943 250 HB3 TYR 33 3HB TYR 33 6.832 11.028 -9.527 251 HD1 TYR 33 HD2 TYR 33 8.203 10.252 -11.624 252 HD2 TYR 33 HD1 TYR 33 4.450 8.607 -10.478 253 HE1 TYR 33 HE2 TYR 33 7.858 9.452 -13.924 254 HE2 TYR 33 HE1 TYR 33 4.096 7.800 -12.774 255 HH TYR 33 HH TYR 33 6.193 7.277 -14.883 256 H ASN 34 H ASN 34 9.991 9.882 -7.982 257 HA ASN 34 HA ASN 34 9.331 10.619 -5.285 258 HB2 ASN 34 2HB ASN 34 11.584 9.671 -6.375 259 HB3 ASN 34 3HB ASN 34 11.951 11.391 -6.466 260 HD21 ASN 34 1HD2 ASN 34 11.893 8.650 -4.515 261 HD22 ASN 34 2HD2 ASN 34 12.248 9.410 -3.004 262 H GLN 35 H GLN 35 10.015 12.749 -4.381 263 HA GLN 35 HA GLN 35 8.623 14.844 -5.576 264 HB2 GLN 35 2HB GLN 35 9.420 16.214 -3.833 265 HB3 GLN 35 3HB GLN 35 9.342 14.600 -3.141 266 HG2 GLN 35 2HG GLN 35 11.745 14.335 -3.484 267 HG3 GLN 35 3HG GLN 35 11.823 15.956 -4.174 268 HE21 GLN 35 1HE2 GLN 35 11.127 14.132 -1.256 269 HE22 GLN 35 2HE2 GLN 35 11.463 15.415 -0.150 270 H GLY 36 H GLY 36 9.138 16.431 -6.982 271 HA2 GLY 36 2HA GLY 36 10.627 17.914 -8.087 272 HA3 GLY 36 3HA GLY 36 11.951 16.822 -7.712 273 H ASP 37 H ASP 37 10.181 14.532 -8.628 274 HA ASP 37 HA ASP 37 11.217 14.218 -11.186 275 HB2 ASP 37 2HB ASP 37 8.795 12.956 -9.894 276 HB3 ASP 37 3HB ASP 37 9.446 12.439 -11.447 277 H ILE 38 H ILE 38 10.604 14.808 -13.185 278 HA ILE 38 HA ILE 38 8.018 16.194 -13.471 279 HB ILE 38 HB ILE 38 10.619 16.907 -14.830 280 HG12 ILE 38 2HG1 ILE 38 9.476 19.087 -13.423 281 HG13 ILE 38 3HG1 ILE 38 9.464 17.708 -12.330 282 HG21 ILE 38 1HG2 ILE 38 8.941 18.960 -15.351 283 HG22 ILE 38 2HG2 ILE 38 9.218 17.607 -16.446 284 HG23 ILE 38 3HG2 ILE 38 7.815 17.603 -15.377 285 HD11 ILE 38 3HD1 ILE 38 11.911 17.405 -12.957 286 HD12 ILE 38 1HD1 ILE 38 11.806 19.021 -13.655 287 HD13 ILE 38 2HD1 ILE 38 11.496 18.781 -11.936 288 H VAL 39 H VAL 39 6.752 15.589 -15.131 289 HA VAL 39 HA VAL 39 7.907 13.968 -17.286 290 HB VAL 39 HB VAL 39 6.222 12.290 -17.159 291 HG11 VAL 39 1HG1 VAL 39 8.075 11.883 -15.685 292 HG12 VAL 39 2HG1 VAL 39 7.343 12.874 -14.421 293 HG13 VAL 39 3HG1 VAL 39 6.595 11.346 -14.890 294 HG21 VAL 39 3HG2 VAL 39 4.634 12.480 -15.053 295 HG22 VAL 39 1HG2 VAL 39 4.912 14.204 -15.301 296 HG23 VAL 39 2HG2 VAL 39 4.217 13.228 -16.595 297 H GLU 40 H GLU 40 6.777 14.036 -19.248 298 HA GLU 40 HA GLU 40 5.162 16.419 -19.586 299 HB2 GLU 40 2HB GLU 40 6.965 15.905 -21.182 300 HB3 GLU 40 3HB GLU 40 6.145 14.415 -21.626 301 HG2 GLU 40 2HG GLU 40 4.243 15.722 -22.454 302 HG3 GLU 40 3HG GLU 40 5.099 17.206 -22.042 303 H TYR 41 H TYR 41 3.027 16.494 -20.033 304 HA TYR 41 HA TYR 41 1.599 14.008 -20.615 305 HB2 TYR 41 2HB TYR 41 1.525 14.325 -18.158 306 HB3 TYR 41 3HB TYR 41 0.785 15.903 -18.400 307 HD1 TYR 41 HD2 TYR 41 0.274 12.266 -18.884 308 HD2 TYR 41 HD1 TYR 41 -1.542 16.111 -18.756 309 HE1 TYR 41 HE2 TYR 41 -1.947 11.210 -18.906 310 HE2 TYR 41 HE1 TYR 41 -3.768 15.067 -18.776 311 HH TYR 41 HH TYR 41 -4.751 12.840 -19.583 312 H ASN 42 H ASN 42 0.519 14.380 -22.424 313 HA ASN 42 HA ASN 42 -0.648 15.423 -24.079 314 HB2 ASN 42 2HB ASN 42 -2.156 15.550 -21.860 315 HB3 ASN 42 3HB ASN 42 -1.966 17.275 -22.166 316 HD21 ASN 42 1HD2 ASN 42 -4.428 16.100 -22.261 317 HD22 ASN 42 2HD2 ASN 42 -5.002 16.076 -23.889 318 H GLY 43 H GLY 43 1.896 16.474 -23.692 319 HA2 GLY 43 2HA GLY 43 3.108 18.243 -24.548 320 HA3 GLY 43 3HA GLY 43 1.589 19.038 -24.936 321 H LYS 44 H LYS 44 1.981 17.990 -21.694 322 HA LYS 44 HA LYS 44 2.502 20.772 -20.875 323 HB2 LYS 44 2HB LYS 44 0.292 19.270 -20.301 324 HB3 LYS 44 3HB LYS 44 1.296 18.966 -18.889 325 HG2 LYS 44 2HG LYS 44 0.750 20.930 -18.032 326 HG3 LYS 44 3HG LYS 44 1.330 21.760 -19.478 327 HD2 LYS 44 2HD LYS 44 -0.749 21.941 -20.373 328 HD3 LYS 44 3HD LYS 44 -1.295 20.410 -19.684 329 HE2 LYS 44 2HE LYS 44 -2.433 21.642 -18.212 330 HE3 LYS 44 3HE LYS 44 -0.875 21.993 -17.466 331 HZ1 LYS 44 3HZ LYS 44 -0.737 23.916 -19.062 332 HZ2 LYS 44 1HZ LYS 44 -1.905 24.055 -17.846 333 HZ3 LYS 44 2HZ LYS 44 -2.368 23.643 -19.419 334 H LEU 45 H LEU 45 3.162 20.606 -18.330 335 HA LEU 45 HA LEU 45 5.165 18.531 -17.939 336 HB2 LEU 45 2HB LEU 45 5.755 21.379 -18.484 337 HB3 LEU 45 3HB LEU 45 6.678 20.610 -17.195 338 HG LEU 45 HG LEU 45 6.566 19.727 -20.079 339 HD11 LEU 45 1HD1 LEU 45 9.158 20.268 -19.514 340 HD12 LEU 45 2HD1 LEU 45 8.340 21.493 -18.544 341 HD13 LEU 45 3HD1 LEU 45 8.046 21.403 -20.281 342 HD21 LEU 45 3HD2 LEU 45 7.495 18.415 -17.622 343 HD22 LEU 45 1HD2 LEU 45 8.659 18.423 -18.948 344 HD23 LEU 45 2HD2 LEU 45 7.056 17.725 -19.186 345 H TYR 46 H TYR 46 4.635 17.760 -16.008 346 HA TYR 46 HA TYR 46 3.912 19.673 -13.885 347 HB2 TYR 46 2HB TYR 46 3.111 16.767 -14.151 348 HB3 TYR 46 3HB TYR 46 2.649 17.842 -12.836 349 HD1 TYR 46 HD1 TYR 46 1.037 19.655 -13.221 350 HD2 TYR 46 HD2 TYR 46 2.033 16.890 -16.298 351 HE1 TYR 46 HE1 TYR 46 -0.947 20.362 -14.490 352 HE2 TYR 46 HE2 TYR 46 0.052 17.591 -17.576 353 HH TYR 46 HH TYR 46 -1.824 18.801 -17.548 354 H LYS 47 H LYS 47 4.609 19.159 -11.722 355 HA LYS 47 HA LYS 47 6.928 17.358 -11.583 356 HB2 LYS 47 2HB LYS 47 7.900 19.525 -11.791 357 HB3 LYS 47 3HB LYS 47 6.765 20.218 -10.640 358 HG2 LYS 47 2HG LYS 47 7.923 19.485 -8.840 359 HG3 LYS 47 3HG LYS 47 8.487 18.025 -9.658 360 HD2 LYS 47 2HD LYS 47 10.462 19.074 -9.783 361 HD3 LYS 47 3HD LYS 47 9.724 20.017 -11.080 362 HE2 LYS 47 2HE LYS 47 8.932 21.611 -9.278 363 HE3 LYS 47 3HE LYS 47 9.999 20.746 -8.172 364 HZ1 LYS 47 3HZ LYS 47 11.836 21.254 -9.759 365 HZ2 LYS 47 1HZ LYS 47 11.177 22.612 -8.994 366 HZ3 LYS 47 2HZ LYS 47 10.772 22.266 -10.599 367 H ALA 48 H ALA 48 6.634 15.891 -10.051 368 HA ALA 48 HA ALA 48 4.516 15.953 -8.202 369 HB1 ALA 48 1HB ALA 48 5.298 13.896 -7.423 370 HB2 ALA 48 2HB ALA 48 5.803 13.935 -9.113 371 HB3 ALA 48 3HB ALA 48 6.971 14.271 -7.835 372 H LYS 49 H LYS 49 4.333 17.235 -6.494 373 HA LYS 49 HA LYS 49 6.374 18.775 -5.381 374 HB2 LYS 49 2HB LYS 49 3.914 17.874 -3.887 375 HB3 LYS 49 3HB LYS 49 4.824 19.361 -3.664 376 HG2 LYS 49 2HG LYS 49 4.148 19.838 -6.125 377 HG3 LYS 49 3HG LYS 49 2.900 18.627 -5.825 378 HD2 LYS 49 2HD LYS 49 1.709 20.016 -4.526 379 HD3 LYS 49 3HD LYS 49 3.146 20.619 -3.697 380 HE2 LYS 49 2HE LYS 49 3.603 21.900 -5.883 381 HE3 LYS 49 3HE LYS 49 1.920 21.552 -6.271 382 HZ1 LYS 49 3HZ LYS 49 2.621 23.723 -4.992 383 HZ2 LYS 49 1HZ LYS 49 2.501 22.704 -3.648 384 HZ3 LYS 49 2HZ LYS 49 1.162 22.935 -4.655 385 H TYR 50 H TYR 50 4.974 15.713 -4.243 386 HA TYR 50 HA TYR 50 7.471 15.160 -2.829 387 HB2 TYR 50 2HB TYR 50 6.436 14.651 -0.758 388 HB3 TYR 50 3HB TYR 50 5.779 16.209 -1.245 389 HD1 TYR 50 HD2 TYR 50 3.576 15.884 -2.834 390 HD2 TYR 50 HD1 TYR 50 4.921 13.200 0.179 391 HE1 TYR 50 HE2 TYR 50 1.293 14.994 -2.617 392 HE2 TYR 50 HE1 TYR 50 2.642 12.301 0.405 393 HH TYR 50 HH TYR 50 0.174 13.389 -0.139 394 H TRP 51 H TRP 51 7.277 12.833 -1.837 395 HA TRP 51 HA TRP 51 7.152 11.007 -3.895 396 HB2 TRP 51 2HB TRP 51 7.926 10.876 -1.309 397 HB3 TRP 51 3HB TRP 51 6.422 9.961 -1.221 398 HD1 TRP 51 HD1 TRP 51 9.670 9.939 -3.355 399 HE1 TRP 51 HE1 TRP 51 10.227 7.490 -3.915 400 HE3 TRP 51 HE3 TRP 51 5.628 7.674 -1.194 401 HZ2 TRP 51 HZ2 TRP 51 9.102 4.935 -3.496 402 HZ3 TRP 51 HZ3 TRP 51 5.444 5.224 -1.319 403 HH2 TRP 51 HH2 TRP 51 7.145 3.885 -2.447 404 H THR 52 H THR 52 5.554 10.134 -5.027 405 HA THR 52 HA THR 52 3.136 9.192 -3.937 406 HB THR 52 HB THR 52 2.665 11.646 -3.797 407 HG1 THR 52 HG1 THR 52 0.594 11.334 -4.457 408 HG21 THR 52 3HG2 THR 52 2.985 13.020 -5.525 409 HG22 THR 52 1HG2 THR 52 2.042 11.986 -6.597 410 HG23 THR 52 2HG2 THR 52 3.764 11.679 -6.364 411 H THR 53 H THR 53 1.763 8.205 -5.515 412 HA THR 53 HA THR 53 2.936 8.019 -8.209 413 HB THR 53 HB THR 53 1.634 5.554 -7.447 414 HG1 THR 53 HG1 THR 53 3.401 4.973 -5.947 415 HG21 THR 53 3HG2 THR 53 4.186 4.877 -7.918 416 HG22 THR 53 1HG2 THR 53 4.174 6.477 -8.656 417 HG23 THR 53 2HG2 THR 53 3.039 5.244 -9.205 418 H SER 54 H SER 54 1.482 8.939 -9.509 419 HA SER 54 HA SER 54 -1.007 7.798 -10.041 420 HB2 SER 54 2HB SER 54 -2.177 10.126 -9.199 421 HB3 SER 54 3HB SER 54 -2.222 8.603 -8.312 422 HG SER 54 HG SER 54 -1.098 9.536 -6.818 423 HA PRO 55 HA PRO 55 -0.441 10.249 -13.643 424 HB2 PRO 55 2HB PRO 55 -2.972 10.265 -14.623 425 HB3 PRO 55 3HB PRO 55 -1.931 8.837 -14.674 426 HG2 PRO 55 2HG PRO 55 -4.115 9.522 -12.744 427 HG3 PRO 55 3HG PRO 55 -3.754 7.969 -13.521 428 HD2 PRO 55 2HD PRO 55 -3.029 8.527 -10.972 429 HD3 PRO 55 3HD PRO 55 -2.070 7.471 -12.030 430 HA PRO 56 HA PRO 56 -1.454 14.436 -12.724 431 HB2 PRO 56 2HB PRO 56 -1.319 15.514 -15.213 432 HB3 PRO 56 3HB PRO 56 0.112 15.018 -14.301 433 HG2 PRO 56 2HG PRO 56 -1.346 13.567 -16.475 434 HG3 PRO 56 3HG PRO 56 0.400 13.751 -16.231 435 HD2 PRO 56 2HD PRO 56 -0.938 11.501 -15.538 436 HD3 PRO 56 3HD PRO 56 0.481 12.082 -14.643 437 H SER 57 H SER 57 -3.296 15.532 -12.412 438 HA SER 57 HA SER 57 -5.295 16.012 -14.289 439 HB2 SER 57 2HB SER 57 -5.969 13.762 -14.332 440 HB3 SER 57 3HB SER 57 -5.723 13.558 -12.598 441 HG SER 57 HG SER 57 -7.877 13.770 -12.805 442 H ASP 58 H ASP 58 -5.555 14.942 -10.900 443 HA ASP 58 HA ASP 58 -6.053 17.712 -10.094 444 HB2 ASP 58 2HB ASP 58 -8.121 15.854 -10.420 445 HB3 ASP 58 3HB ASP 58 -7.831 15.912 -8.683 446 H ASP 59 H ASP 59 -4.641 18.143 -8.545 447 HA ASP 59 HA ASP 59 -3.871 15.987 -6.692 448 HB2 ASP 59 2HB ASP 59 -1.959 17.851 -6.292 449 HB3 ASP 59 3HB ASP 59 -1.826 16.568 -7.491 450 HA PRO 60 HA PRO 60 -6.356 18.910 -4.138 451 HB2 PRO 60 2HB PRO 60 -7.468 16.962 -2.608 452 HB3 PRO 60 3HB PRO 60 -8.134 17.455 -4.169 453 HG2 PRO 60 2HG PRO 60 -6.394 15.110 -3.506 454 HG3 PRO 60 3HG PRO 60 -7.818 15.184 -4.561 455 HD2 PRO 60 2HD PRO 60 -5.288 15.204 -5.525 456 HD3 PRO 60 3HD PRO 60 -6.621 16.061 -6.325 457 H TYR 61 H TYR 61 -3.929 16.558 -3.548 458 HA TYR 61 HA TYR 61 -3.529 17.590 -0.818 459 HB2 TYR 61 2HB TYR 61 -1.965 15.393 -0.864 460 HB3 TYR 61 3HB TYR 61 -3.654 15.367 -0.367 461 HD1 TYR 61 HD1 TYR 61 -1.419 14.812 -3.283 462 HD2 TYR 61 HD2 TYR 61 -5.221 14.061 -1.527 463 HE1 TYR 61 HE1 TYR 61 -1.907 13.180 -5.056 464 HE2 TYR 61 HE2 TYR 61 -5.720 12.426 -3.295 465 HH TYR 61 HH TYR 61 -3.520 11.925 -6.010 466 H GLY 62 H GLY 62 -2.590 18.518 -3.603 467 HA2 GLY 62 2HA GLY 62 -0.723 19.548 -4.454 468 HA3 GLY 62 3HA GLY 62 -0.119 19.578 -2.805 469 H SER 63 H SER 63 -0.796 16.923 -5.080 470 HA SER 63 HA SER 63 1.776 15.738 -4.398 471 HB2 SER 63 2HB SER 63 0.426 13.928 -4.482 472 HB3 SER 63 3HB SER 63 -0.786 14.765 -5.452 473 HG SER 63 HG SER 63 0.081 13.161 -6.714 474 H TRP 64 H TRP 64 0.434 17.708 -6.801 475 HA TRP 64 HA TRP 64 2.813 17.316 -8.468 476 HB2 TRP 64 2HB TRP 64 -0.051 17.205 -9.359 477 HB3 TRP 64 3HB TRP 64 1.201 17.759 -10.466 478 HD1 TRP 64 HD1 TRP 64 -0.365 14.651 -9.127 479 HE1 TRP 64 HE1 TRP 64 0.872 12.582 -10.028 480 HE3 TRP 64 HE3 TRP 64 3.744 16.960 -11.107 481 HZ2 TRP 64 HZ2 TRP 64 3.273 12.004 -11.396 482 HZ3 TRP 64 HZ3 TRP 64 5.464 15.578 -12.195 483 HH2 TRP 64 HH2 TRP 64 5.232 13.150 -12.334 484 H GLU 65 H GLU 65 3.250 19.151 -9.905 485 HA GLU 65 HA GLU 65 1.904 21.647 -9.241 486 HB2 GLU 65 2HB GLU 65 3.968 21.108 -7.689 487 HB3 GLU 65 3HB GLU 65 4.889 21.655 -9.082 488 HG2 GLU 65 2HG GLU 65 3.625 23.778 -9.036 489 HG3 GLU 65 3HG GLU 65 2.817 23.227 -7.570 490 H TYR 66 H TYR 66 1.359 22.352 -11.197 491 HA TYR 66 HA TYR 66 2.746 21.696 -13.576 492 HB2 TYR 66 2HB TYR 66 0.455 22.167 -13.835 493 HB3 TYR 66 3HB TYR 66 0.568 23.665 -12.917 494 HD1 TYR 66 HD1 TYR 66 1.402 25.703 -13.955 495 HD2 TYR 66 HD2 TYR 66 1.096 22.085 -16.173 496 HE1 TYR 66 HE1 TYR 66 1.659 26.971 -16.046 497 HE2 TYR 66 HE2 TYR 66 1.354 23.342 -18.272 498 HH TYR 66 HH TYR 66 0.894 25.799 -19.012 499 H LEU 67 H LEU 67 4.692 22.429 -14.096 500 HA LEU 67 HA LEU 67 5.549 25.066 -13.173 501 HB2 LEU 67 2HB LEU 67 7.221 23.079 -14.678 502 HB3 LEU 67 3HB LEU 67 7.757 24.393 -13.634 503 HG LEU 67 HG LEU 67 6.340 21.909 -12.672 504 HD11 LEU 67 1HD1 LEU 67 9.172 22.486 -13.225 505 HD12 LEU 67 2HD1 LEU 67 8.320 20.945 -13.131 506 HD13 LEU 67 3HD1 LEU 67 8.834 21.760 -11.654 507 HD21 LEU 67 3HD2 LEU 67 6.122 22.986 -10.746 508 HD22 LEU 67 1HD2 LEU 67 6.845 24.429 -11.460 509 HD23 LEU 67 2HD2 LEU 67 7.869 23.223 -10.678 510 H GLY 68 H GLY 68 4.556 23.407 -16.036 511 HA2 GLY 68 2HA GLY 68 4.073 25.628 -17.570 512 HA3 GLY 68 3HA GLY 68 5.748 25.219 -17.909 513 H GLU 69 H GLU 69 4.836 24.974 -20.117 514 HA GLU 69 HA GLU 69 3.628 22.308 -20.467 515 HB2 GLU 69 2HB GLU 69 2.984 24.895 -21.628 516 HB3 GLU 69 3HB GLU 69 3.282 23.680 -22.862 517 HG2 GLU 69 2HG GLU 69 1.607 22.229 -21.865 518 HG3 GLU 69 3HG GLU 69 1.326 23.414 -20.590 519 H ALA 70 H ALA 70 4.417 20.971 -22.115 520 HA ALA 70 HA ALA 70 7.150 20.859 -22.473 521 HB1 ALA 70 1HB ALA 70 5.922 18.901 -22.895 522 HB2 ALA 70 2HB ALA 70 4.902 19.699 -24.094 523 HB3 ALA 70 3HB ALA 70 6.595 19.367 -24.457 524 H GLU 71 H GLU 71 4.726 22.457 -24.470 525 HA GLU 71 HA GLU 71 6.913 23.628 -26.062 526 HB2 GLU 71 2HB GLU 71 4.617 22.177 -26.932 527 HB3 GLU 71 3HB GLU 71 4.441 23.844 -27.460 528 HG2 GLU 71 2HG GLU 71 6.577 23.754 -28.584 529 HG3 GLU 71 3HG GLU 71 6.852 22.120 -27.982 530 HA PRO 72 HA PRO 72 5.253 27.268 -23.987 531 HB2 PRO 72 2HB PRO 72 7.353 28.863 -24.634 532 HB3 PRO 72 3HB PRO 72 7.398 27.711 -23.293 533 HG2 PRO 72 2HG PRO 72 8.492 27.434 -26.066 534 HG3 PRO 72 3HG PRO 72 9.232 26.976 -24.521 535 HD2 PRO 72 2HD PRO 72 8.035 25.178 -26.152 536 HD3 PRO 72 3HD PRO 72 8.032 25.012 -24.386 537 H THR 73 H THR 73 4.336 29.193 -24.713 538 HA THR 73 HA THR 73 4.201 29.480 -27.642 539 HB THR 73 HB THR 73 2.140 30.393 -25.628 540 HG1 THR 73 HG1 THR 73 2.170 28.100 -27.326 541 HG21 THR 73 3HG2 THR 73 2.025 31.703 -27.630 542 HG22 THR 73 1HG2 THR 73 0.705 30.536 -27.678 543 HG23 THR 73 2HG2 THR 73 2.157 30.266 -28.643 Start of MODEL 9 1 H1 GLY 1 H GLY 1 28.605 3.244 -7.396 2 HA2 GLY 1 2HA GLY 1 31.019 2.392 -6.797 3 HA3 GLY 1 3HA GLY 1 31.413 3.356 -8.213 4 HA PRO 2 HA PRO 2 31.644 7.016 -5.821 5 HB2 PRO 2 2HB PRO 2 30.403 8.871 -7.366 6 HB3 PRO 2 3HB PRO 2 31.983 8.188 -7.768 7 HG2 PRO 2 2HG PRO 2 29.280 7.462 -8.829 8 HG3 PRO 2 3HG PRO 2 30.809 7.661 -9.704 9 HD2 PRO 2 2HD PRO 2 29.823 5.231 -9.031 10 HD3 PRO 2 3HD PRO 2 31.564 5.564 -9.116 11 H SER 3 H SER 3 30.569 8.209 -4.288 12 HA SER 3 HA SER 3 28.084 7.320 -3.377 13 HB2 SER 3 2HB SER 3 29.758 9.740 -2.763 14 HB3 SER 3 3HB SER 3 28.165 9.545 -2.032 15 HG SER 3 HG SER 3 30.509 8.289 -1.450 16 H THR 4 H THR 4 26.032 8.305 -3.333 17 HA THR 4 HA THR 4 25.516 10.604 -5.016 18 HB THR 4 HB THR 4 24.213 7.960 -5.691 19 HG1 THR 4 HG1 THR 4 25.473 8.111 -7.604 20 HG21 THR 4 3HG2 THR 4 23.489 9.328 -7.723 21 HG22 THR 4 1HG2 THR 4 23.950 10.750 -6.788 22 HG23 THR 4 2HG2 THR 4 22.681 9.677 -6.195 23 H SER 5 H SER 5 23.856 11.758 -4.242 24 HA SER 5 HA SER 5 21.764 10.447 -2.686 25 HB2 SER 5 2HB SER 5 23.576 12.614 -1.616 26 HB3 SER 5 3HB SER 5 22.003 12.248 -0.905 27 HG SER 5 HG SER 5 23.559 11.070 0.180 28 H MET 6 H MET 6 19.880 11.145 -3.419 29 HA MET 6 HA MET 6 19.417 13.955 -3.903 30 HB2 MET 6 2HB MET 6 18.828 13.820 -6.192 31 HB3 MET 6 3HB MET 6 20.383 13.010 -6.052 32 HG2 MET 6 2HG MET 6 18.581 10.967 -5.687 33 HG3 MET 6 3HG MET 6 17.809 11.977 -6.907 34 HE1 MET 6 3HE MET 6 18.613 12.601 -8.996 35 HE2 MET 6 1HE MET 6 20.330 13.000 -8.926 36 HE3 MET 6 2HE MET 6 19.768 11.707 -9.985 37 H GLU 7 H GLU 7 17.031 13.910 -5.169 38 HA GLU 7 HA GLU 7 15.326 11.965 -3.816 39 HB2 GLU 7 2HB GLU 7 13.857 13.700 -2.913 40 HB3 GLU 7 3HB GLU 7 15.479 13.842 -2.252 41 HG2 GLU 7 2HG GLU 7 15.286 15.445 -4.604 42 HG3 GLU 7 3HG GLU 7 13.939 15.817 -3.530 43 H ASN 8 H ASN 8 16.192 13.021 -6.608 44 HA ASN 8 HA ASN 8 13.491 12.900 -7.739 45 HB2 ASN 8 2HB ASN 8 15.459 14.737 -9.032 46 HB3 ASN 8 3HB ASN 8 13.699 14.803 -9.026 47 HD21 ASN 8 1HD2 ASN 8 12.849 15.022 -6.638 48 HD22 ASN 8 2HD2 ASN 8 13.580 16.311 -5.750 49 H LEU 9 H LEU 9 14.037 10.713 -8.219 50 HA LEU 9 HA LEU 9 16.219 10.244 -10.088 51 HB2 LEU 9 2HB LEU 9 15.747 7.904 -9.799 52 HB3 LEU 9 3HB LEU 9 15.836 8.690 -8.223 53 HG LEU 9 HG LEU 9 13.120 8.504 -9.299 54 HD11 LEU 9 1HD1 LEU 9 13.605 6.425 -10.181 55 HD12 LEU 9 2HD1 LEU 9 13.088 6.023 -8.543 56 HD13 LEU 9 3HD1 LEU 9 14.806 6.062 -8.941 57 HD21 LEU 9 3HD2 LEU 9 12.585 7.984 -7.065 58 HD22 LEU 9 1HD2 LEU 9 13.880 9.179 -6.975 59 HD23 LEU 9 2HD2 LEU 9 14.235 7.473 -6.704 60 H VAL 10 H VAL 10 13.458 11.615 -10.581 61 HA VAL 10 HA VAL 10 11.903 10.150 -12.323 62 HB VAL 10 HB VAL 10 11.415 12.469 -11.497 63 HG11 VAL 10 1HG1 VAL 10 12.426 14.342 -12.338 64 HG12 VAL 10 2HG1 VAL 10 13.780 13.212 -12.395 65 HG13 VAL 10 3HG1 VAL 10 12.859 13.561 -13.859 66 HG21 VAL 10 3HG2 VAL 10 10.271 11.232 -13.449 67 HG22 VAL 10 1HG2 VAL 10 9.991 12.964 -13.272 68 HG23 VAL 10 2HG2 VAL 10 11.132 12.375 -14.480 69 H SER 11 H SER 11 15.022 11.611 -12.866 70 HA SER 11 HA SER 11 14.903 11.186 -15.735 71 HB2 SER 11 2HB SER 11 16.079 13.152 -14.576 72 HB3 SER 11 3HB SER 11 17.348 11.997 -14.166 73 HG SER 11 HG SER 11 17.643 11.618 -16.377 74 H LEU 12 H LEU 12 16.301 9.704 -12.892 75 HA LEU 12 HA LEU 12 18.017 7.917 -14.323 76 HB2 LEU 12 2HB LEU 12 17.519 8.621 -11.613 77 HB3 LEU 12 3HB LEU 12 17.376 6.872 -11.765 78 HG LEU 12 HG LEU 12 19.761 8.000 -13.044 79 HD11 LEU 12 1HD1 LEU 12 20.929 8.253 -10.849 80 HD12 LEU 12 2HD1 LEU 12 19.348 8.228 -10.070 81 HD13 LEU 12 3HD1 LEU 12 19.751 9.516 -11.204 82 HD21 LEU 12 3HD2 LEU 12 18.998 5.661 -11.357 83 HD22 LEU 12 1HD2 LEU 12 20.697 6.118 -11.484 84 HD23 LEU 12 2HD2 LEU 12 19.785 5.705 -12.936 85 H GLN 13 H GLN 13 14.685 7.991 -13.647 86 HA GLN 13 HA GLN 13 13.976 5.342 -13.339 87 HB2 GLN 13 2HB GLN 13 12.615 7.641 -14.711 88 HB3 GLN 13 3HB GLN 13 11.876 6.046 -14.679 89 HG2 GLN 13 2HG GLN 13 11.666 6.072 -12.342 90 HG3 GLN 13 3HG GLN 13 12.765 7.440 -12.177 91 HE21 GLN 13 1HE2 GLN 13 10.555 7.762 -10.866 92 HE22 GLN 13 2HE2 GLN 13 9.443 8.812 -11.669 93 H ASN 14 H ASN 14 15.118 6.993 -16.182 94 HA ASN 14 HA ASN 14 15.179 4.433 -17.597 95 HB2 ASN 14 2HB ASN 14 13.555 6.751 -18.328 96 HB3 ASN 14 3HB ASN 14 14.618 6.225 -19.629 97 HD21 ASN 14 1HD2 ASN 14 12.100 5.193 -17.415 98 HD22 ASN 14 2HD2 ASN 14 11.528 3.881 -18.383 99 H LEU 15 H LEU 15 17.280 4.111 -17.923 100 HA LEU 15 HA LEU 15 19.429 4.409 -18.602 101 HB2 LEU 15 2HB LEU 15 17.847 6.144 -20.288 102 HB3 LEU 15 3HB LEU 15 19.460 6.802 -20.025 103 HG LEU 15 HG LEU 15 18.812 4.085 -21.169 104 HD11 LEU 15 1HD1 LEU 15 19.150 6.715 -22.343 105 HD12 LEU 15 2HD1 LEU 15 18.556 5.220 -23.065 106 HD13 LEU 15 3HD1 LEU 15 20.290 5.537 -22.993 107 HD21 LEU 15 3HD2 LEU 15 20.835 3.722 -20.131 108 HD22 LEU 15 1HD2 LEU 15 21.361 5.394 -20.332 109 HD23 LEU 15 2HD2 LEU 15 21.357 4.299 -21.714 110 H LEU 16 H LEU 16 21.337 5.820 -18.340 111 HA LEU 16 HA LEU 16 20.895 7.879 -16.279 112 HB2 LEU 16 2HB LEU 16 22.947 7.204 -15.204 113 HB3 LEU 16 3HB LEU 16 21.850 5.831 -15.332 114 HG LEU 16 HG LEU 16 23.328 5.439 -17.545 115 HD11 LEU 16 1HD1 LEU 16 24.817 7.266 -17.279 116 HD12 LEU 16 2HD1 LEU 16 25.713 5.810 -16.846 117 HD13 LEU 16 3HD1 LEU 16 25.100 6.877 -15.582 118 HD21 LEU 16 3HD2 LEU 16 23.263 3.576 -16.285 119 HD22 LEU 16 1HD2 LEU 16 23.406 4.468 -14.770 120 HD23 LEU 16 2HD2 LEU 16 24.845 4.125 -15.731 121 H VAL 17 H VAL 17 21.715 7.492 -19.372 122 HA VAL 17 HA VAL 17 24.148 8.832 -19.720 123 HB VAL 17 HB VAL 17 23.479 9.231 -21.999 124 HG11 VAL 17 1HG1 VAL 17 22.093 6.673 -21.709 125 HG12 VAL 17 2HG1 VAL 17 23.583 7.067 -22.568 126 HG13 VAL 17 3HG1 VAL 17 23.619 6.762 -20.831 127 HG21 VAL 17 3HG2 VAL 17 21.397 9.868 -22.448 128 HG22 VAL 17 1HG2 VAL 17 20.873 8.206 -22.177 129 HG23 VAL 17 2HG2 VAL 17 20.852 9.365 -20.848 130 H TYR 18 H TYR 18 23.829 10.994 -21.289 131 HA TYR 18 HA TYR 18 23.492 13.244 -21.300 132 HB2 TYR 18 2HB TYR 18 21.180 12.739 -19.421 133 HB3 TYR 18 3HB TYR 18 21.425 14.140 -20.458 134 HD1 TYR 18 HD2 TYR 18 22.063 13.050 -23.038 135 HD2 TYR 18 HD1 TYR 18 19.309 11.594 -20.141 136 HE1 TYR 18 HE2 TYR 18 20.772 11.958 -24.824 137 HE2 TYR 18 HE1 TYR 18 18.010 10.496 -21.918 138 HH TYR 18 HH TYR 18 18.347 9.663 -24.196 139 H VAL 19 H VAL 19 24.380 14.927 -20.213 140 HA VAL 19 HA VAL 19 25.975 14.557 -18.014 141 HB VAL 19 HB VAL 19 25.836 17.065 -17.688 142 HG11 VAL 19 1HG1 VAL 19 26.422 15.953 -20.428 143 HG12 VAL 19 2HG1 VAL 19 26.916 17.552 -19.872 144 HG13 VAL 19 3HG1 VAL 19 27.546 16.108 -19.079 145 HG21 VAL 19 3HG2 VAL 19 24.672 18.328 -19.464 146 HG22 VAL 19 1HG2 VAL 19 23.960 16.820 -20.037 147 HG23 VAL 19 2HG2 VAL 19 23.564 17.428 -18.430 148 H ASN 20 H ASN 20 22.595 15.564 -18.089 149 HA ASN 20 HA ASN 20 21.977 14.531 -15.572 150 HB2 ASN 20 2HB ASN 20 23.387 16.940 -15.349 151 HB3 ASN 20 3HB ASN 20 21.702 17.375 -15.081 152 HD21 ASN 20 1HD2 ASN 20 23.922 14.749 -14.194 153 HD22 ASN 20 2HD2 ASN 20 23.463 14.698 -12.529 154 H TRP 21 H TRP 21 21.300 16.943 -18.026 155 HA TRP 21 HA TRP 21 18.436 16.329 -17.741 156 HB2 TRP 21 2HB TRP 21 18.211 18.472 -17.053 157 HB3 TRP 21 3HB TRP 21 19.789 18.940 -17.680 158 HD1 TRP 21 HD1 TRP 21 16.115 19.065 -18.488 159 HE1 TRP 21 HE1 TRP 21 15.764 20.319 -20.708 160 HE3 TRP 21 HE3 TRP 21 20.977 19.332 -20.046 161 HZ2 TRP 21 HZ2 TRP 21 17.340 21.291 -22.839 162 HZ3 TRP 21 HZ3 TRP 21 21.469 20.441 -22.188 163 HH2 TRP 21 HH2 TRP 21 19.687 21.399 -23.553 164 H SER 22 H SER 22 17.232 16.253 -19.649 165 HA SER 22 HA SER 22 18.111 16.989 -22.193 166 HB2 SER 22 2HB SER 22 19.144 14.409 -21.230 167 HB3 SER 22 3HB SER 22 18.347 14.326 -22.801 168 HG SER 22 HG SER 22 20.644 15.740 -22.035 169 H SER 23 H SER 23 15.866 17.590 -21.980 170 HA SER 23 HA SER 23 13.619 17.340 -22.291 171 HB2 SER 23 2HB SER 23 14.378 14.952 -23.980 172 HB3 SER 23 3HB SER 23 12.974 16.004 -24.166 173 HG SER 23 HG SER 23 15.607 16.393 -24.941 174 H TYR 24 H TYR 24 13.097 16.766 -20.156 175 HA TYR 24 HA TYR 24 13.285 14.321 -18.930 176 HB2 TYR 24 2HB TYR 24 10.914 16.179 -18.674 177 HB3 TYR 24 3HB TYR 24 11.480 15.017 -17.480 178 HD1 TYR 24 HD1 TYR 24 14.443 15.593 -17.718 179 HD2 TYR 24 HD2 TYR 24 11.074 18.173 -17.418 180 HE1 TYR 24 HE1 TYR 24 15.866 17.324 -16.705 181 HE2 TYR 24 HE2 TYR 24 12.488 19.912 -16.404 182 HH TYR 24 HH TYR 24 15.852 19.805 -16.452 183 HA PRO 25 HA PRO 25 10.600 11.511 -20.974 184 HB2 PRO 25 2HB PRO 25 9.800 9.963 -18.894 185 HB3 PRO 25 3HB PRO 25 11.431 9.893 -19.570 186 HG2 PRO 25 2HG PRO 25 10.452 11.323 -17.129 187 HG3 PRO 25 3HG PRO 25 11.933 10.373 -17.351 188 HD2 PRO 25 2HD PRO 25 11.914 13.080 -17.423 189 HD3 PRO 25 3HD PRO 25 13.040 12.107 -18.392 190 H LYS 26 H LYS 26 8.361 10.624 -20.944 191 HA LYS 26 HA LYS 26 6.495 12.724 -20.153 192 HB2 LYS 26 2HB LYS 26 6.282 10.357 -22.006 193 HB3 LYS 26 3HB LYS 26 4.879 11.310 -21.543 194 HG2 LYS 26 2HG LYS 26 5.457 13.047 -22.853 195 HG3 LYS 26 3HG LYS 26 7.184 12.838 -22.554 196 HD2 LYS 26 2HD LYS 26 6.859 10.669 -23.988 197 HD3 LYS 26 3HD LYS 26 5.430 11.520 -24.580 198 HE2 LYS 26 2HE LYS 26 7.826 13.184 -24.510 199 HE3 LYS 26 3HE LYS 26 7.985 11.777 -25.563 200 HZ1 LYS 26 3HZ LYS 26 5.779 12.484 -26.530 201 HZ2 LYS 26 1HZ LYS 26 7.103 13.475 -26.892 202 HZ3 LYS 26 2HZ LYS 26 5.985 13.954 -25.717 203 H TYR 27 H TYR 27 4.369 12.085 -19.262 204 HA TYR 27 HA TYR 27 4.566 10.799 -16.838 205 HB2 TYR 27 2HB TYR 27 2.592 11.879 -16.788 206 HB3 TYR 27 3HB TYR 27 2.393 11.772 -18.533 207 HD1 TYR 27 HD1 TYR 27 2.120 9.691 -15.450 208 HD2 TYR 27 HD2 TYR 27 0.735 10.404 -19.409 209 HE1 TYR 27 HE1 TYR 27 0.373 7.987 -15.139 210 HE2 TYR 27 HE2 TYR 27 -1.016 8.703 -19.108 211 HH TYR 27 HH TYR 27 -1.892 7.181 -17.756 212 H GLU 28 H GLU 28 4.907 8.757 -16.300 213 HA GLU 28 HA GLU 28 3.954 6.642 -18.119 214 HB2 GLU 28 2HB GLU 28 6.600 7.174 -17.146 215 HB3 GLU 28 3HB GLU 28 6.057 5.622 -16.524 216 HG2 GLU 28 2HG GLU 28 5.643 6.183 -19.406 217 HG3 GLU 28 3HG GLU 28 7.283 5.853 -18.849 218 HA PRO 29 HA PRO 29 1.596 5.726 -14.396 219 HB2 PRO 29 2HB PRO 29 -0.059 3.952 -15.614 220 HB3 PRO 29 3HB PRO 29 -0.274 5.703 -15.731 221 HG2 PRO 29 2HG PRO 29 0.983 3.814 -17.684 222 HG3 PRO 29 3HG PRO 29 -0.131 5.160 -17.988 223 HD2 PRO 29 2HD PRO 29 2.543 5.366 -18.368 224 HD3 PRO 29 3HD PRO 29 1.543 6.740 -17.852 225 H GLY 30 H GLY 30 2.205 4.307 -12.890 226 HA2 GLY 30 2HA GLY 30 2.394 2.022 -12.145 227 HA3 GLY 30 3HA GLY 30 2.993 1.598 -13.743 228 H LYS 31 H LYS 31 4.179 4.482 -12.263 229 HA LYS 31 HA LYS 31 6.575 3.116 -11.284 230 HB2 LYS 31 2HB LYS 31 6.467 4.519 -13.743 231 HB3 LYS 31 3HB LYS 31 7.375 5.524 -12.622 232 HG2 LYS 31 2HG LYS 31 8.504 3.119 -12.148 233 HG3 LYS 31 3HG LYS 31 8.075 2.950 -13.852 234 HD2 LYS 31 2HD LYS 31 9.171 5.521 -13.576 235 HD3 LYS 31 3HD LYS 31 10.219 4.441 -12.653 236 HE2 LYS 31 2HE LYS 31 9.389 3.422 -15.280 237 HE3 LYS 31 3HE LYS 31 10.405 4.861 -15.330 238 HZ1 LYS 31 3HZ LYS 31 11.047 2.291 -13.988 239 HZ2 LYS 31 1HZ LYS 31 12.002 3.685 -13.896 240 HZ3 LYS 31 2HZ LYS 31 11.776 2.912 -15.383 241 H GLU 32 H GLU 32 6.859 3.760 -9.261 242 HA GLU 32 HA GLU 32 5.553 5.776 -7.944 243 HB2 GLU 32 2HB GLU 32 7.803 4.048 -7.408 244 HB3 GLU 32 3HB GLU 32 8.079 5.642 -6.719 245 HG2 GLU 32 2HG GLU 32 7.039 4.456 -5.014 246 HG3 GLU 32 3HG GLU 32 5.742 5.421 -5.717 247 H TYR 33 H TYR 33 5.778 7.927 -7.675 248 HA TYR 33 HA TYR 33 8.050 9.230 -9.029 249 HB2 TYR 33 2HB TYR 33 5.148 10.046 -8.913 250 HB3 TYR 33 3HB TYR 33 6.425 11.165 -9.372 251 HD1 TYR 33 HD2 TYR 33 7.986 10.353 -11.315 252 HD2 TYR 33 HD1 TYR 33 4.101 8.792 -10.557 253 HE1 TYR 33 HE2 TYR 33 7.861 9.550 -13.637 254 HE2 TYR 33 HE1 TYR 33 3.967 7.984 -12.877 255 HH TYR 33 HH TYR 33 6.705 7.981 -14.983 256 H ASN 34 H ASN 34 9.377 9.911 -7.472 257 HA ASN 34 HA ASN 34 8.428 10.704 -4.878 258 HB2 ASN 34 2HB ASN 34 11.154 10.677 -6.168 259 HB3 ASN 34 3HB ASN 34 10.888 11.313 -4.548 260 HD21 ASN 34 1HD2 ASN 34 10.059 8.446 -6.471 261 HD22 ASN 34 2HD2 ASN 34 10.376 7.303 -5.215 262 H GLN 35 H GLN 35 8.960 12.798 -3.903 263 HA GLN 35 HA GLN 35 7.867 14.943 -5.245 264 HB2 GLN 35 2HB GLN 35 8.541 16.294 -3.443 265 HB3 GLN 35 3HB GLN 35 8.353 14.689 -2.749 266 HG2 GLN 35 2HG GLN 35 10.948 14.585 -3.387 267 HG3 GLN 35 3HG GLN 35 10.777 16.321 -3.129 268 HE21 GLN 35 1HE2 GLN 35 8.906 16.369 -1.119 269 HE22 GLN 35 2HE2 GLN 35 9.579 15.668 0.309 270 H GLY 36 H GLY 36 8.592 16.515 -6.582 271 HA2 GLY 36 2HA GLY 36 10.243 17.910 -7.557 272 HA3 GLY 36 3HA GLY 36 11.474 16.761 -7.054 273 H ASP 37 H ASP 37 9.694 14.547 -8.123 274 HA ASP 37 HA ASP 37 10.947 14.190 -10.585 275 HB2 ASP 37 2HB ASP 37 8.438 12.976 -9.431 276 HB3 ASP 37 3HB ASP 37 9.111 12.470 -10.978 277 H ILE 38 H ILE 38 10.543 14.856 -12.604 278 HA ILE 38 HA ILE 38 8.005 16.269 -13.105 279 HB ILE 38 HB ILE 38 10.720 16.913 -14.261 280 HG12 ILE 38 2HG1 ILE 38 9.336 19.041 -12.853 281 HG13 ILE 38 3HG1 ILE 38 9.602 17.649 -11.810 282 HG21 ILE 38 1HG2 ILE 38 9.010 18.999 -14.835 283 HG22 ILE 38 2HG2 ILE 38 9.556 17.761 -15.963 284 HG23 ILE 38 3HG2 ILE 38 8.023 17.565 -15.116 285 HD11 ILE 38 3HD1 ILE 38 12.033 17.846 -12.901 286 HD12 ILE 38 1HD1 ILE 38 11.533 19.535 -12.986 287 HD13 ILE 38 2HD1 ILE 38 11.556 18.699 -11.434 288 H VAL 39 H VAL 39 6.897 15.777 -14.929 289 HA VAL 39 HA VAL 39 8.165 14.098 -16.963 290 HB VAL 39 HB VAL 39 6.441 12.453 -16.973 291 HG11 VAL 39 1HG1 VAL 39 8.168 11.995 -15.372 292 HG12 VAL 39 2HG1 VAL 39 7.378 13.006 -14.161 293 HG13 VAL 39 3HG1 VAL 39 6.623 11.499 -14.681 294 HG21 VAL 39 3HG2 VAL 39 5.036 14.379 -15.195 295 HG22 VAL 39 1HG2 VAL 39 4.421 13.437 -16.553 296 HG23 VAL 39 2HG2 VAL 39 4.702 12.659 -14.996 297 H GLU 40 H GLU 40 7.141 14.151 -19.000 298 HA GLU 40 HA GLU 40 5.608 16.578 -19.450 299 HB2 GLU 40 2HB GLU 40 7.536 16.021 -20.898 300 HB3 GLU 40 3HB GLU 40 6.695 14.574 -21.435 301 HG2 GLU 40 2HG GLU 40 5.107 16.986 -21.760 302 HG3 GLU 40 3HG GLU 40 6.628 17.035 -22.649 303 H TYR 41 H TYR 41 3.513 16.681 -20.040 304 HA TYR 41 HA TYR 41 2.105 14.236 -20.796 305 HB2 TYR 41 2HB TYR 41 1.878 14.412 -18.343 306 HB3 TYR 41 3HB TYR 41 1.189 16.020 -18.531 307 HD1 TYR 41 HD1 TYR 41 0.617 12.425 -19.141 308 HD2 TYR 41 HD2 TYR 41 -1.099 16.318 -19.127 309 HE1 TYR 41 HE1 TYR 41 -1.623 11.431 -19.352 310 HE2 TYR 41 HE2 TYR 41 -3.344 15.336 -19.336 311 HH TYR 41 HH TYR 41 -4.425 13.341 -20.016 312 H ASN 42 H ASN 42 0.989 14.658 -22.572 313 HA ASN 42 HA ASN 42 -0.115 15.769 -24.224 314 HB2 ASN 42 2HB ASN 42 -1.557 16.084 -21.924 315 HB3 ASN 42 3HB ASN 42 -1.337 17.757 -22.428 316 HD21 ASN 42 1HD2 ASN 42 -3.446 15.360 -22.546 317 HD22 ASN 42 2HD2 ASN 42 -4.209 15.663 -24.066 318 H GLY 43 H GLY 43 2.520 16.682 -23.662 319 HA2 GLY 43 2HA GLY 43 3.868 18.352 -24.523 320 HA3 GLY 43 3HA GLY 43 2.418 19.210 -25.023 321 H LYS 44 H LYS 44 2.632 18.238 -21.728 322 HA LYS 44 HA LYS 44 3.238 21.021 -20.969 323 HB2 LYS 44 2HB LYS 44 1.504 19.024 -19.503 324 HB3 LYS 44 3HB LYS 44 1.830 20.675 -18.991 325 HG2 LYS 44 2HG LYS 44 0.862 21.125 -21.465 326 HG3 LYS 44 3HG LYS 44 -0.018 19.656 -21.038 327 HD2 LYS 44 2HD LYS 44 -0.118 21.274 -18.759 328 HD3 LYS 44 3HD LYS 44 -0.408 22.361 -20.119 329 HE2 LYS 44 2HE LYS 44 -2.154 20.806 -20.931 330 HE3 LYS 44 3HE LYS 44 -1.901 19.815 -19.496 331 HZ1 LYS 44 3HZ LYS 44 -2.492 21.787 -18.151 332 HZ2 LYS 44 1HZ LYS 44 -3.761 21.239 -19.126 333 HZ3 LYS 44 2HZ LYS 44 -2.883 22.613 -19.574 334 H LEU 45 H LEU 45 3.732 20.901 -18.381 335 HA LEU 45 HA LEU 45 5.606 18.736 -17.831 336 HB2 LEU 45 2HB LEU 45 6.340 21.564 -18.326 337 HB3 LEU 45 3HB LEU 45 7.157 20.740 -17.000 338 HG LEU 45 HG LEU 45 7.159 19.880 -19.893 339 HD11 LEU 45 1HD1 LEU 45 8.848 21.661 -18.333 340 HD12 LEU 45 2HD1 LEU 45 8.754 21.426 -20.077 341 HD13 LEU 45 3HD1 LEU 45 9.747 20.349 -19.096 342 HD21 LEU 45 3HD2 LEU 45 9.082 18.418 -18.862 343 HD22 LEU 45 1HD2 LEU 45 7.404 17.878 -18.803 344 HD23 LEU 45 2HD2 LEU 45 8.143 18.615 -17.381 345 H TYR 46 H TYR 46 4.921 18.003 -15.934 346 HA TYR 46 HA TYR 46 4.150 19.961 -13.871 347 HB2 TYR 46 2HB TYR 46 3.194 17.109 -14.200 348 HB3 TYR 46 3HB TYR 46 2.713 18.208 -12.912 349 HD1 TYR 46 HD1 TYR 46 2.359 17.408 -16.471 350 HD2 TYR 46 HD2 TYR 46 1.153 20.015 -13.333 351 HE1 TYR 46 HE1 TYR 46 0.514 18.231 -17.873 352 HE2 TYR 46 HE2 TYR 46 -0.696 20.845 -14.725 353 HH TYR 46 HH TYR 46 -1.981 19.450 -17.099 354 H LYS 47 H LYS 47 4.613 19.346 -11.646 355 HA LYS 47 HA LYS 47 6.834 17.442 -11.364 356 HB2 LYS 47 2HB LYS 47 7.924 19.561 -11.463 357 HB3 LYS 47 3HB LYS 47 6.741 20.294 -10.386 358 HG2 LYS 47 2HG LYS 47 7.697 19.426 -8.512 359 HG3 LYS 47 3HG LYS 47 8.321 18.005 -9.354 360 HD2 LYS 47 2HD LYS 47 10.308 19.028 -9.293 361 HD3 LYS 47 3HD LYS 47 9.670 20.086 -10.554 362 HE2 LYS 47 2HE LYS 47 10.216 21.715 -9.095 363 HE3 LYS 47 3HE LYS 47 8.669 21.293 -8.361 364 HZ1 LYS 47 3HZ LYS 47 10.712 21.431 -6.861 365 HZ2 LYS 47 1HZ LYS 47 11.164 19.947 -7.536 366 HZ3 LYS 47 2HZ LYS 47 9.705 20.081 -6.692 367 H ALA 48 H ALA 48 6.367 15.979 -9.874 368 HA ALA 48 HA ALA 48 4.107 16.074 -8.218 369 HB1 ALA 48 1HB ALA 48 4.639 13.958 -7.675 370 HB2 ALA 48 2HB ALA 48 5.821 14.124 -8.973 371 HB3 ALA 48 3HB ALA 48 6.313 14.363 -7.297 372 H LYS 49 H LYS 49 3.763 17.352 -6.535 373 HA LYS 49 HA LYS 49 5.699 18.892 -5.239 374 HB2 LYS 49 2HB LYS 49 3.095 18.023 -3.990 375 HB3 LYS 49 3HB LYS 49 3.992 19.506 -3.691 376 HG2 LYS 49 2HG LYS 49 3.565 19.971 -6.206 377 HG3 LYS 49 3HG LYS 49 2.288 18.764 -6.028 378 HD2 LYS 49 2HD LYS 49 0.975 20.165 -4.868 379 HD3 LYS 49 3HD LYS 49 2.320 20.763 -3.895 380 HE2 LYS 49 2HE LYS 49 3.017 22.059 -5.986 381 HE3 LYS 49 3HE LYS 49 1.411 21.681 -6.608 382 HZ1 LYS 49 3HZ LYS 49 1.884 23.042 -4.015 383 HZ2 LYS 49 1HZ LYS 49 0.408 22.850 -4.821 384 HZ3 LYS 49 2HZ LYS 49 1.598 23.866 -5.464 385 H TYR 50 H TYR 50 4.145 15.867 -4.201 386 HA TYR 50 HA TYR 50 6.488 15.302 -2.544 387 HB2 TYR 50 2HB TYR 50 5.240 14.812 -0.591 388 HB3 TYR 50 3HB TYR 50 4.641 16.368 -1.154 389 HD1 TYR 50 HD2 TYR 50 2.619 16.025 -2.973 390 HD2 TYR 50 HD1 TYR 50 3.628 13.377 0.201 391 HE1 TYR 50 HE2 TYR 50 0.325 15.140 -2.990 392 HE2 TYR 50 HE1 TYR 50 1.338 12.483 0.192 393 HH TYR 50 HH TYR 50 -0.622 12.452 -0.891 394 H TRP 51 H TRP 51 6.235 12.985 -1.598 395 HA TRP 51 HA TRP 51 6.278 11.156 -3.655 396 HB2 TRP 51 2HB TRP 51 6.856 11.030 -1.023 397 HB3 TRP 51 3HB TRP 51 5.351 10.116 -1.039 398 HD1 TRP 51 HD1 TRP 51 8.807 10.067 -2.795 399 HE1 TRP 51 HE1 TRP 51 9.376 7.621 -3.355 400 HE3 TRP 51 HE3 TRP 51 4.466 7.850 -1.251 401 HZ2 TRP 51 HZ2 TRP 51 8.147 5.086 -3.169 402 HZ3 TRP 51 HZ3 TRP 51 4.243 5.411 -1.478 403 HH2 TRP 51 HH2 TRP 51 6.046 4.059 -2.417 404 H THR 52 H THR 52 4.709 10.639 -5.023 405 HA THR 52 HA THR 52 2.204 9.610 -4.061 406 HB THR 52 HB THR 52 2.062 12.038 -5.849 407 HG1 THR 52 HG1 THR 52 2.577 12.928 -3.932 408 HG21 THR 52 3HG2 THR 52 0.142 10.068 -4.817 409 HG22 THR 52 1HG2 THR 52 0.048 11.103 -6.241 410 HG23 THR 52 2HG2 THR 52 -0.363 11.750 -4.652 411 H THR 53 H THR 53 0.988 8.541 -5.690 412 HA THR 53 HA THR 53 2.382 8.222 -8.265 413 HB THR 53 HB THR 53 1.901 5.833 -8.256 414 HG1 THR 53 HG1 THR 53 1.088 4.903 -6.272 415 HG21 THR 53 3HG2 THR 53 3.148 6.159 -5.587 416 HG22 THR 53 1HG2 THR 53 3.912 7.001 -6.936 417 HG23 THR 53 2HG2 THR 53 3.703 5.251 -6.993 418 H SER 54 H SER 54 1.048 9.105 -9.713 419 HA SER 54 HA SER 54 -1.368 7.949 -10.452 420 HB2 SER 54 2HB SER 54 -1.603 9.991 -8.343 421 HB3 SER 54 3HB SER 54 -2.658 10.251 -9.731 422 HG SER 54 HG SER 54 -3.668 8.931 -8.187 423 HA PRO 55 HA PRO 55 -0.530 10.409 -13.993 424 HB2 PRO 55 2HB PRO 55 -2.971 10.413 -15.181 425 HB3 PRO 55 3HB PRO 55 -1.923 8.990 -15.144 426 HG2 PRO 55 2HG PRO 55 -4.264 9.664 -13.403 427 HG3 PRO 55 3HG PRO 55 -3.832 8.113 -14.146 428 HD2 PRO 55 2HD PRO 55 -3.324 8.674 -11.547 429 HD3 PRO 55 3HD PRO 55 -2.275 7.623 -12.521 430 HA PRO 56 HA PRO 56 -1.632 14.587 -13.130 431 HB2 PRO 56 2HB PRO 56 -1.224 15.685 -15.579 432 HB3 PRO 56 3HB PRO 56 0.098 15.182 -14.520 433 HG2 PRO 56 2HG PRO 56 -1.110 13.748 -16.853 434 HG3 PRO 56 3HG PRO 56 0.598 13.931 -16.414 435 HD2 PRO 56 2HD PRO 56 -0.806 11.676 -15.893 436 HD3 PRO 56 3HD PRO 56 0.505 12.249 -14.842 437 H SER 57 H SER 57 -3.505 15.664 -13.003 438 HA SER 57 HA SER 57 -5.281 16.185 -15.078 439 HB2 SER 57 2HB SER 57 -6.018 13.997 -15.305 440 HB3 SER 57 3HB SER 57 -5.807 13.638 -13.591 441 HG SER 57 HG SER 57 -7.794 15.362 -14.660 442 H ASP 58 H ASP 58 -6.125 14.970 -11.850 443 HA ASP 58 HA ASP 58 -6.643 17.727 -10.986 444 HB2 ASP 58 2HB ASP 58 -8.816 17.037 -11.585 445 HB3 ASP 58 3HB ASP 58 -8.572 15.416 -10.938 446 H ASP 59 H ASP 59 -5.178 17.952 -9.411 447 HA ASP 59 HA ASP 59 -5.033 15.844 -7.355 448 HB2 ASP 59 2HB ASP 59 -2.839 17.813 -8.010 449 HB3 ASP 59 3HB ASP 59 -2.731 16.385 -6.984 450 HA PRO 60 HA PRO 60 -6.803 19.556 -5.289 451 HB2 PRO 60 2HB PRO 60 -8.418 18.127 -3.640 452 HB3 PRO 60 3HB PRO 60 -8.880 18.573 -5.287 453 HG2 PRO 60 2HG PRO 60 -7.796 15.977 -4.262 454 HG3 PRO 60 3HG PRO 60 -9.114 16.263 -5.413 455 HD2 PRO 60 2HD PRO 60 -6.619 15.563 -6.200 456 HD3 PRO 60 3HD PRO 60 -7.669 16.611 -7.174 457 H TYR 61 H TYR 61 -4.917 16.891 -4.370 458 HA TYR 61 HA TYR 61 -4.587 17.895 -1.630 459 HB2 TYR 61 2HB TYR 61 -3.143 15.649 -1.586 460 HB3 TYR 61 3HB TYR 61 -4.884 15.648 -1.330 461 HD1 TYR 61 HD2 TYR 61 -6.401 14.923 -3.140 462 HD2 TYR 61 HD1 TYR 61 -2.174 14.663 -3.542 463 HE1 TYR 61 HE2 TYR 61 -6.683 13.376 -5.031 464 HE2 TYR 61 HE1 TYR 61 -2.443 13.117 -5.435 465 HH TYR 61 HH TYR 61 -4.977 12.784 -7.191 466 H GLY 62 H GLY 62 -3.393 18.807 -4.355 467 HA2 GLY 62 2HA GLY 62 -1.426 19.770 -5.041 468 HA3 GLY 62 3HA GLY 62 -0.968 19.789 -3.344 469 H SER 63 H SER 63 -1.521 17.160 -5.686 470 HA SER 63 HA SER 63 0.908 15.859 -4.752 471 HB2 SER 63 2HB SER 63 -0.493 14.111 -5.048 472 HB3 SER 63 3HB SER 63 -1.549 15.026 -6.123 473 HG SER 63 HG SER 63 -0.680 13.905 -7.661 474 H TRP 64 H TRP 64 -0.103 17.880 -7.300 475 HA TRP 64 HA TRP 64 2.471 17.468 -8.646 476 HB2 TRP 64 2HB TRP 64 -0.257 17.403 -9.901 477 HB3 TRP 64 3HB TRP 64 1.140 17.931 -10.834 478 HD1 TRP 64 HD1 TRP 64 -0.613 14.847 -9.627 479 HE1 TRP 64 HE1 TRP 64 0.677 12.756 -10.391 480 HE3 TRP 64 HE3 TRP 64 3.681 17.094 -11.255 481 HZ2 TRP 64 HZ2 TRP 64 3.185 12.139 -11.533 482 HZ3 TRP 64 HZ3 TRP 64 5.478 15.681 -12.168 483 HH2 TRP 64 HH2 TRP 64 5.232 13.256 -12.303 484 H GLU 65 H GLU 65 3.109 19.302 -10.010 485 HA GLU 65 HA GLU 65 1.727 21.814 -9.474 486 HB2 GLU 65 2HB GLU 65 3.595 21.263 -7.726 487 HB3 GLU 65 3HB GLU 65 4.687 21.727 -9.024 488 HG2 GLU 65 2HG GLU 65 3.567 23.909 -9.161 489 HG3 GLU 65 3HG GLU 65 2.529 23.442 -7.816 490 H TYR 66 H TYR 66 1.469 22.749 -11.381 491 HA TYR 66 HA TYR 66 2.985 22.012 -13.677 492 HB2 TYR 66 2HB TYR 66 0.744 22.629 -14.088 493 HB3 TYR 66 3HB TYR 66 0.891 24.113 -13.154 494 HD1 TYR 66 HD2 TYR 66 1.980 26.081 -14.107 495 HD2 TYR 66 HD1 TYR 66 1.514 22.514 -16.379 496 HE1 TYR 66 HE2 TYR 66 2.481 27.333 -16.164 497 HE2 TYR 66 HE1 TYR 66 2.015 23.756 -18.442 498 HH TYR 66 HH TYR 66 3.176 27.025 -18.382 499 H LEU 67 H LEU 67 5.013 22.636 -13.999 500 HA LEU 67 HA LEU 67 5.884 25.257 -13.014 501 HB2 LEU 67 2HB LEU 67 7.689 23.157 -14.157 502 HB3 LEU 67 3HB LEU 67 8.077 24.458 -13.032 503 HG LEU 67 HG LEU 67 6.491 21.972 -12.388 504 HD11 LEU 67 1HD1 LEU 67 8.617 21.161 -12.440 505 HD12 LEU 67 2HD1 LEU 67 8.601 21.808 -10.800 506 HD13 LEU 67 3HD1 LEU 67 9.347 22.730 -12.105 507 HD21 LEU 67 3HD2 LEU 67 5.694 23.141 -10.673 508 HD22 LEU 67 1HD2 LEU 67 6.713 24.526 -11.065 509 HD23 LEU 67 2HD2 LEU 67 7.344 23.227 -10.051 510 H GLY 68 H GLY 68 4.854 23.763 -15.831 511 HA2 GLY 68 2HA GLY 68 4.938 25.866 -17.517 512 HA3 GLY 68 3HA GLY 68 6.566 25.219 -17.657 513 H GLU 69 H GLU 69 5.672 25.082 -19.953 514 HA GLU 69 HA GLU 69 4.317 22.489 -20.307 515 HB2 GLU 69 2HB GLU 69 3.763 25.085 -21.436 516 HB3 GLU 69 3HB GLU 69 4.135 23.936 -22.714 517 HG2 GLU 69 2HG GLU 69 2.385 22.477 -22.015 518 HG3 GLU 69 3HG GLU 69 2.102 23.431 -20.559 519 H ALA 70 H ALA 70 4.993 21.184 -22.092 520 HA ALA 70 HA ALA 70 7.746 20.888 -22.349 521 HB1 ALA 70 1HB ALA 70 6.360 19.020 -22.793 522 HB2 ALA 70 2HB ALA 70 5.489 19.880 -24.064 523 HB3 ALA 70 3HB ALA 70 7.172 19.411 -24.309 524 H GLU 71 H GLU 71 5.460 22.141 -24.788 525 HA GLU 71 HA GLU 71 7.728 23.546 -26.040 526 HB2 GLU 71 2HB GLU 71 5.203 22.502 -27.334 527 HB3 GLU 71 3HB GLU 71 6.445 23.434 -28.156 528 HG2 GLU 71 2HG GLU 71 8.064 21.668 -27.745 529 HG3 GLU 71 3HG GLU 71 6.842 20.735 -26.883 530 HA PRO 72 HA PRO 72 5.311 27.048 -24.553 531 HB2 PRO 72 2HB PRO 72 7.286 28.864 -24.960 532 HB3 PRO 72 3HB PRO 72 7.234 27.803 -23.547 533 HG2 PRO 72 2HG PRO 72 8.819 27.521 -26.071 534 HG3 PRO 72 3HG PRO 72 9.327 27.248 -24.394 535 HD2 PRO 72 2HD PRO 72 8.656 25.222 -26.061 536 HD3 PRO 72 3HD PRO 72 8.365 25.155 -24.311 537 H THR 73 H THR 73 4.027 28.402 -25.668 538 HA THR 73 HA THR 73 4.050 28.374 -28.514 539 HB THR 73 HB THR 73 2.222 30.096 -28.291 540 HG1 THR 73 HG1 THR 73 2.483 31.116 -26.407 541 HG21 THR 73 3HG2 THR 73 0.709 28.461 -26.941 542 HG22 THR 73 1HG2 THR 73 2.133 27.421 -26.951 543 HG23 THR 73 2HG2 THR 73 1.405 27.934 -28.473 Start of MODEL 10 1 H1 GLY 1 H GLY 1 31.268 3.616 -10.491 2 HA2 GLY 1 2HA GLY 1 33.651 4.880 -9.323 3 HA3 GLY 1 3HA GLY 1 32.650 5.561 -10.596 4 HA PRO 2 HA PRO 2 31.562 7.577 -6.540 5 HB2 PRO 2 2HB PRO 2 31.797 10.123 -7.453 6 HB3 PRO 2 3HB PRO 2 33.159 9.209 -6.795 7 HG2 PRO 2 2HG PRO 2 32.403 9.687 -9.652 8 HG3 PRO 2 3HG PRO 2 34.006 9.741 -8.894 9 HD2 PRO 2 2HD PRO 2 33.141 7.609 -10.321 10 HD3 PRO 2 3HD PRO 2 34.244 7.449 -8.940 11 H SER 3 H SER 3 29.600 8.529 -6.019 12 HA SER 3 HA SER 3 27.745 9.007 -8.257 13 HB2 SER 3 2HB SER 3 27.026 6.928 -7.406 14 HB3 SER 3 3HB SER 3 27.308 7.418 -5.736 15 HG SER 3 HG SER 3 25.396 8.700 -7.375 16 H THR 4 H THR 4 26.064 10.523 -7.864 17 HA THR 4 HA THR 4 26.807 12.531 -5.865 18 HB THR 4 HB THR 4 24.651 13.278 -7.685 19 HG1 THR 4 HG1 THR 4 25.522 12.442 -9.423 20 HG21 THR 4 3HG2 THR 4 27.358 14.543 -7.570 21 HG22 THR 4 1HG2 THR 4 26.272 14.678 -6.189 22 HG23 THR 4 2HG2 THR 4 25.776 15.298 -7.764 23 H SER 5 H SER 5 24.608 13.901 -5.357 24 HA SER 5 HA SER 5 22.754 11.929 -4.189 25 HB2 SER 5 2HB SER 5 22.314 13.845 -2.505 26 HB3 SER 5 3HB SER 5 23.818 12.937 -2.355 27 HG SER 5 HG SER 5 23.506 15.547 -2.726 28 H MET 6 H MET 6 20.540 12.405 -4.167 29 HA MET 6 HA MET 6 19.562 14.809 -5.437 30 HB2 MET 6 2HB MET 6 18.500 13.800 -7.300 31 HB3 MET 6 3HB MET 6 20.157 13.214 -7.312 32 HG2 MET 6 2HG MET 6 18.820 11.329 -5.811 33 HG3 MET 6 3HG MET 6 17.665 11.754 -7.072 34 HE1 MET 6 3HE MET 6 21.000 9.684 -6.334 35 HE2 MET 6 1HE MET 6 19.334 9.118 -6.220 36 HE3 MET 6 2HE MET 6 20.386 8.510 -7.497 37 H GLU 7 H GLU 7 17.156 14.864 -5.468 38 HA GLU 7 HA GLU 7 16.107 13.400 -3.145 39 HB2 GLU 7 2HB GLU 7 15.830 16.143 -4.106 40 HB3 GLU 7 3HB GLU 7 14.284 15.398 -3.725 41 HG2 GLU 7 2HG GLU 7 16.496 15.140 -1.760 42 HG3 GLU 7 3HG GLU 7 15.679 16.694 -1.912 43 H ASN 8 H ASN 8 16.230 12.699 -6.149 44 HA ASN 8 HA ASN 8 13.876 11.188 -6.257 45 HB2 ASN 8 2HB ASN 8 13.210 13.758 -6.731 46 HB3 ASN 8 3HB ASN 8 13.626 13.257 -8.367 47 HD21 ASN 8 1HD2 ASN 8 11.297 13.198 -5.914 48 HD22 ASN 8 2HD2 ASN 8 10.158 12.153 -6.687 49 H LEU 9 H LEU 9 14.170 9.579 -7.679 50 HA LEU 9 HA LEU 9 16.491 9.718 -9.431 51 HB2 LEU 9 2HB LEU 9 15.995 7.277 -9.772 52 HB3 LEU 9 3HB LEU 9 16.411 7.757 -8.128 53 HG LEU 9 HG LEU 9 13.575 7.837 -8.400 54 HD11 LEU 9 1HD1 LEU 9 13.303 5.333 -8.761 55 HD12 LEU 9 2HD1 LEU 9 14.908 5.377 -9.492 56 HD13 LEU 9 3HD1 LEU 9 13.595 6.323 -10.192 57 HD21 LEU 9 3HD2 LEU 9 13.689 6.192 -6.593 58 HD22 LEU 9 1HD2 LEU 9 14.807 7.529 -6.320 59 HD23 LEU 9 2HD2 LEU 9 15.414 5.977 -6.896 60 H VAL 10 H VAL 10 13.639 10.903 -9.853 61 HA VAL 10 HA VAL 10 12.348 9.690 -11.969 62 HB VAL 10 HB VAL 10 11.571 11.733 -10.730 63 HG11 VAL 10 1HG1 VAL 10 13.924 12.837 -11.408 64 HG12 VAL 10 2HG1 VAL 10 12.904 13.491 -12.691 65 HG13 VAL 10 3HG1 VAL 10 12.490 13.779 -11.000 66 HG21 VAL 10 3HG2 VAL 10 10.723 10.815 -13.018 67 HG22 VAL 10 1HG2 VAL 10 10.167 12.386 -12.441 68 HG23 VAL 10 2HG2 VAL 10 11.436 12.293 -13.663 69 H SER 11 H SER 11 15.337 11.471 -11.955 70 HA SER 11 HA SER 11 15.477 11.991 -14.743 71 HB2 SER 11 2HB SER 11 17.326 12.148 -12.433 72 HB3 SER 11 3HB SER 11 18.081 11.963 -14.015 73 HG SER 11 HG SER 11 16.118 13.923 -13.430 74 H LEU 12 H LEU 12 16.623 9.353 -12.695 75 HA LEU 12 HA LEU 12 17.572 7.928 -15.078 76 HB2 LEU 12 2HB LEU 12 18.453 8.096 -12.344 77 HB3 LEU 12 3HB LEU 12 18.145 6.418 -12.789 78 HG LEU 12 HG LEU 12 20.472 6.935 -13.131 79 HD11 LEU 12 1HD1 LEU 12 19.571 6.971 -15.938 80 HD12 LEU 12 2HD1 LEU 12 18.900 5.696 -14.921 81 HD13 LEU 12 3HD1 LEU 12 20.647 5.853 -15.101 82 HD21 LEU 12 3HD2 LEU 12 19.742 9.458 -13.632 83 HD22 LEU 12 1HD2 LEU 12 19.952 8.889 -15.288 84 HD23 LEU 12 2HD2 LEU 12 21.291 8.787 -14.145 85 H GLN 13 H GLN 13 14.731 8.283 -13.932 86 HA GLN 13 HA GLN 13 13.838 5.751 -13.062 87 HB2 GLN 13 2HB GLN 13 12.639 8.295 -13.835 88 HB3 GLN 13 3HB GLN 13 11.656 6.916 -14.305 89 HG2 GLN 13 2HG GLN 13 11.909 6.106 -11.917 90 HG3 GLN 13 3HG GLN 13 12.555 7.705 -11.555 91 HE21 GLN 13 1HE2 GLN 13 10.894 8.311 -10.223 92 HE22 GLN 13 2HE2 GLN 13 9.291 8.616 -10.788 93 H ASN 14 H ASN 14 14.376 7.125 -16.224 94 HA ASN 14 HA ASN 14 14.079 4.513 -17.428 95 HB2 ASN 14 2HB ASN 14 12.319 6.823 -18.281 96 HB3 ASN 14 3HB ASN 14 12.494 5.311 -19.167 97 HD21 ASN 14 1HD2 ASN 14 12.109 3.322 -17.748 98 HD22 ASN 14 2HD2 ASN 14 10.720 3.391 -16.722 99 H LEU 15 H LEU 15 14.631 7.975 -17.902 100 HA LEU 15 HA LEU 15 16.197 7.512 -20.296 101 HB2 LEU 15 2HB LEU 15 14.952 9.773 -18.978 102 HB3 LEU 15 3HB LEU 15 16.598 10.140 -19.489 103 HG LEU 15 HG LEU 15 15.131 8.844 -21.610 104 HD11 LEU 15 1HD1 LEU 15 13.884 11.248 -20.314 105 HD12 LEU 15 2HD1 LEU 15 13.122 9.727 -20.776 106 HD13 LEU 15 3HD1 LEU 15 13.646 10.863 -22.019 107 HD21 LEU 15 3HD2 LEU 15 16.644 11.390 -21.185 108 HD22 LEU 15 1HD2 LEU 15 15.736 11.123 -22.674 109 HD23 LEU 15 2HD2 LEU 15 17.033 10.016 -22.222 110 H LEU 16 H LEU 16 18.329 7.235 -20.367 111 HA LEU 16 HA LEU 16 19.880 6.896 -18.051 112 HB2 LEU 16 2HB LEU 16 20.575 7.210 -20.954 113 HB3 LEU 16 3HB LEU 16 21.819 7.009 -19.721 114 HG LEU 16 HG LEU 16 19.622 4.998 -19.890 115 HD11 LEU 16 1HD1 LEU 16 20.421 3.915 -21.728 116 HD12 LEU 16 2HD1 LEU 16 22.049 4.567 -21.547 117 HD13 LEU 16 3HD1 LEU 16 20.762 5.579 -22.204 118 HD21 LEU 16 3HD2 LEU 16 21.139 4.759 -18.071 119 HD22 LEU 16 1HD2 LEU 16 22.536 4.970 -19.127 120 HD23 LEU 16 2HD2 LEU 16 21.545 3.516 -19.255 121 H VAL 17 H VAL 17 19.304 9.669 -20.091 122 HA VAL 17 HA VAL 17 19.819 11.875 -19.851 123 HB VAL 17 HB VAL 17 20.952 11.357 -17.123 124 HG11 VAL 17 1HG1 VAL 17 19.283 13.594 -18.268 125 HG12 VAL 17 2HG1 VAL 17 19.955 13.529 -16.637 126 HG13 VAL 17 3HG1 VAL 17 21.030 13.627 -18.032 127 HG21 VAL 17 3HG2 VAL 17 18.164 10.930 -18.030 128 HG22 VAL 17 1HG2 VAL 17 19.060 10.168 -16.716 129 HG23 VAL 17 2HG2 VAL 17 18.392 11.786 -16.505 130 H TYR 18 H TYR 18 21.598 13.337 -19.945 131 HA TYR 18 HA TYR 18 24.273 12.182 -19.715 132 HB2 TYR 18 2HB TYR 18 23.185 13.429 -22.246 133 HB3 TYR 18 3HB TYR 18 24.884 13.067 -21.967 134 HD1 TYR 18 HD1 TYR 18 25.196 10.504 -21.058 135 HD2 TYR 18 HD2 TYR 18 22.071 11.919 -23.573 136 HE1 TYR 18 HE1 TYR 18 24.853 8.221 -21.906 137 HE2 TYR 18 HE2 TYR 18 21.717 9.641 -24.428 138 HH TYR 18 HH TYR 18 23.320 7.480 -24.621 139 H VAL 19 H VAL 19 23.010 15.124 -21.262 140 HA VAL 19 HA VAL 19 24.945 16.837 -20.212 141 HB VAL 19 HB VAL 19 22.134 17.602 -21.012 142 HG11 VAL 19 1HG1 VAL 19 24.685 19.212 -20.986 143 HG12 VAL 19 2HG1 VAL 19 23.095 19.782 -21.499 144 HG13 VAL 19 3HG1 VAL 19 23.377 19.348 -19.812 145 HG21 VAL 19 3HG2 VAL 19 23.144 16.324 -22.791 146 HG22 VAL 19 1HG2 VAL 19 23.120 18.029 -23.243 147 HG23 VAL 19 2HG2 VAL 19 24.621 17.284 -22.690 148 H ASN 20 H ASN 20 21.612 16.257 -19.099 149 HA ASN 20 HA ASN 20 22.233 16.463 -16.373 150 HB2 ASN 20 2HB ASN 20 22.618 18.776 -16.574 151 HB3 ASN 20 3HB ASN 20 21.276 18.991 -17.695 152 HD21 ASN 20 1HD2 ASN 20 20.002 20.390 -16.673 153 HD22 ASN 20 2HD2 ASN 20 19.344 20.165 -15.091 154 H TRP 21 H TRP 21 19.837 16.867 -18.907 155 HA TRP 21 HA TRP 21 17.951 15.311 -17.290 156 HB2 TRP 21 2HB TRP 21 16.148 16.771 -17.619 157 HB3 TRP 21 3HB TRP 21 17.489 17.853 -17.249 158 HD1 TRP 21 HD1 TRP 21 14.813 17.338 -19.732 159 HE1 TRP 21 HE1 TRP 21 15.176 18.848 -21.785 160 HE3 TRP 21 HE3 TRP 21 19.628 18.798 -18.825 161 HZ2 TRP 21 HZ2 TRP 21 17.231 20.447 -22.875 162 HZ3 TRP 21 HZ3 TRP 21 20.719 20.319 -20.421 163 HH2 TRP 21 HH2 TRP 21 19.545 21.125 -22.404 164 H SER 22 H SER 22 18.909 16.532 -20.452 165 HA SER 22 HA SER 22 18.438 15.817 -22.577 166 HB2 SER 22 2HB SER 22 19.197 13.421 -20.979 167 HB3 SER 22 3HB SER 22 18.574 13.147 -22.606 168 HG SER 22 HG SER 22 20.207 14.505 -23.399 169 H SER 23 H SER 23 16.173 16.638 -22.127 170 HA SER 23 HA SER 23 13.908 16.433 -22.282 171 HB2 SER 23 2HB SER 23 14.703 13.962 -23.842 172 HB3 SER 23 3HB SER 23 13.101 14.700 -23.863 173 HG SER 23 HG SER 23 14.841 15.275 -25.539 174 H TYR 24 H TYR 24 13.365 16.110 -20.140 175 HA TYR 24 HA TYR 24 13.628 13.872 -18.587 176 HB2 TYR 24 2HB TYR 24 11.537 16.022 -18.670 177 HB3 TYR 24 3HB TYR 24 11.376 14.681 -17.541 178 HD1 TYR 24 HD2 TYR 24 14.079 14.212 -16.621 179 HD2 TYR 24 HD1 TYR 24 12.128 17.900 -17.454 180 HE1 TYR 24 HE2 TYR 24 15.579 15.355 -15.042 181 HE2 TYR 24 HE1 TYR 24 13.623 19.054 -15.878 182 HH TYR 24 HH TYR 24 16.354 17.429 -14.412 183 HA PRO 25 HA PRO 25 11.043 10.699 -20.173 184 HB2 PRO 25 2HB PRO 25 10.239 9.479 -17.884 185 HB3 PRO 25 3HB PRO 25 11.885 9.350 -18.514 186 HG2 PRO 25 2HG PRO 25 10.820 11.123 -16.351 187 HG3 PRO 25 3HG PRO 25 12.328 10.192 -16.392 188 HD2 PRO 25 2HD PRO 25 12.242 12.850 -16.897 189 HD3 PRO 25 3HD PRO 25 13.412 11.768 -17.679 190 H LYS 26 H LYS 26 8.894 10.100 -20.516 191 HA LYS 26 HA LYS 26 6.948 12.126 -19.833 192 HB2 LYS 26 2HB LYS 26 6.822 9.644 -21.545 193 HB3 LYS 26 3HB LYS 26 5.430 10.679 -21.260 194 HG2 LYS 26 2HG LYS 26 6.193 12.317 -22.616 195 HG3 LYS 26 3HG LYS 26 7.885 12.011 -22.217 196 HD2 LYS 26 2HD LYS 26 8.074 10.299 -23.770 197 HD3 LYS 26 3HD LYS 26 6.334 10.008 -23.810 198 HE2 LYS 26 2HE LYS 26 6.803 11.057 -25.849 199 HE3 LYS 26 3HE LYS 26 6.146 12.340 -24.835 200 HZ1 LYS 26 3HZ LYS 26 8.425 12.540 -26.213 201 HZ2 LYS 26 1HZ LYS 26 9.022 12.030 -24.715 202 HZ3 LYS 26 2HZ LYS 26 8.087 13.436 -24.818 203 H TYR 27 H TYR 27 4.847 11.615 -18.931 204 HA TYR 27 HA TYR 27 4.923 10.361 -16.485 205 HB2 TYR 27 2HB TYR 27 2.980 11.477 -16.454 206 HB3 TYR 27 3HB TYR 27 2.873 11.473 -18.210 207 HD1 TYR 27 HD1 TYR 27 2.245 9.338 -15.226 208 HD2 TYR 27 HD2 TYR 27 1.268 10.162 -19.285 209 HE1 TYR 27 HE1 TYR 27 0.395 7.722 -15.102 210 HE2 TYR 27 HE2 TYR 27 -0.585 8.548 -19.172 211 HH TYR 27 HH TYR 27 -1.757 7.178 -17.873 212 H GLU 28 H GLU 28 5.113 8.315 -15.887 213 HA GLU 28 HA GLU 28 4.166 6.217 -17.728 214 HB2 GLU 28 2HB GLU 28 6.744 6.619 -16.517 215 HB3 GLU 28 3HB GLU 28 6.057 5.101 -15.957 216 HG2 GLU 28 2HG GLU 28 6.327 5.888 -18.849 217 HG3 GLU 28 3HG GLU 28 7.473 4.876 -17.969 218 HA PRO 29 HA PRO 29 1.453 5.513 -14.208 219 HB2 PRO 29 2HB PRO 29 -0.188 3.800 -15.531 220 HB3 PRO 29 3HB PRO 29 -0.295 5.557 -15.699 221 HG2 PRO 29 2HG PRO 29 1.019 3.558 -17.499 222 HG3 PRO 29 3HG PRO 29 0.011 4.954 -17.924 223 HD2 PRO 29 2HD PRO 29 2.715 5.009 -18.074 224 HD3 PRO 29 3HD PRO 29 1.751 6.446 -17.673 225 H GLY 30 H GLY 30 1.848 4.098 -12.628 226 HA2 GLY 30 2HA GLY 30 1.837 1.814 -11.840 227 HA3 GLY 30 3HA GLY 30 2.577 1.338 -13.360 228 H LYS 31 H LYS 31 3.735 4.189 -11.797 229 HA LYS 31 HA LYS 31 5.943 2.739 -10.542 230 HB2 LYS 31 2HB LYS 31 6.171 4.068 -13.037 231 HB3 LYS 31 3HB LYS 31 7.021 5.048 -11.849 232 HG2 LYS 31 2HG LYS 31 7.863 2.499 -11.262 233 HG3 LYS 31 3HG LYS 31 7.743 2.489 -13.022 234 HD2 LYS 31 2HD LYS 31 9.721 3.508 -13.080 235 HD3 LYS 31 3HD LYS 31 8.941 4.929 -12.384 236 HE2 LYS 31 2HE LYS 31 9.882 2.701 -10.622 237 HE3 LYS 31 3HE LYS 31 11.023 3.906 -11.216 238 HZ1 LYS 31 3HZ LYS 31 10.386 5.008 -9.385 239 HZ2 LYS 31 1HZ LYS 31 8.928 4.163 -9.233 240 HZ3 LYS 31 2HZ LYS 31 9.046 5.458 -10.315 241 H GLU 32 H GLU 32 6.099 3.452 -8.528 242 HA GLU 32 HA GLU 32 4.755 5.557 -7.400 243 HB2 GLU 32 2HB GLU 32 6.990 3.844 -6.626 244 HB3 GLU 32 3HB GLU 32 7.060 5.432 -5.877 245 HG2 GLU 32 2HG GLU 32 5.753 4.498 -4.323 246 HG3 GLU 32 3HG GLU 32 4.462 4.810 -5.482 247 H TYR 33 H TYR 33 5.067 7.706 -7.118 248 HA TYR 33 HA TYR 33 7.494 8.883 -8.304 249 HB2 TYR 33 2HB TYR 33 4.626 9.789 -8.539 250 HB3 TYR 33 3HB TYR 33 5.985 10.851 -8.894 251 HD1 TYR 33 HD2 TYR 33 7.742 9.858 -10.600 252 HD2 TYR 33 HD1 TYR 33 3.703 8.560 -10.266 253 HE1 TYR 33 HE2 TYR 33 7.844 8.967 -12.890 254 HE2 TYR 33 HE1 TYR 33 3.796 7.664 -12.555 255 HH TYR 33 HH TYR 33 6.760 7.415 -14.312 256 H ASN 34 H ASN 34 8.669 9.587 -6.639 257 HA ASN 34 HA ASN 34 7.476 10.509 -4.193 258 HB2 ASN 34 2HB ASN 34 10.368 10.891 -4.919 259 HB3 ASN 34 3HB ASN 34 9.655 10.615 -3.333 260 HD21 ASN 34 1HD2 ASN 34 11.817 9.217 -4.740 261 HD22 ASN 34 2HD2 ASN 34 11.339 7.557 -4.796 262 H GLN 35 H GLN 35 8.517 12.637 -3.259 263 HA GLN 35 HA GLN 35 7.459 14.774 -4.784 264 HB2 GLN 35 2HB GLN 35 8.018 16.166 -2.971 265 HB3 GLN 35 3HB GLN 35 7.659 14.605 -2.244 266 HG2 GLN 35 2HG GLN 35 10.405 15.699 -2.811 267 HG3 GLN 35 3HG GLN 35 9.619 15.630 -1.236 268 HE21 GLN 35 1HE2 GLN 35 8.642 13.243 -0.945 269 HE22 GLN 35 2HE2 GLN 35 9.832 12.005 -1.130 270 H GLY 36 H GLY 36 8.384 16.138 -6.193 271 HA2 GLY 36 2HA GLY 36 10.233 17.448 -6.974 272 HA3 GLY 36 3HA GLY 36 11.322 16.220 -6.345 273 H ASP 37 H ASP 37 9.392 14.167 -7.559 274 HA ASP 37 HA ASP 37 10.851 13.636 -9.885 275 HB2 ASP 37 2HB ASP 37 9.779 11.690 -9.650 276 HB3 ASP 37 3HB ASP 37 8.737 12.411 -8.428 277 H ILE 38 H ILE 38 10.663 14.244 -11.958 278 HA ILE 38 HA ILE 38 8.325 15.878 -12.702 279 HB ILE 38 HB ILE 38 11.178 16.261 -13.620 280 HG12 ILE 38 2HG1 ILE 38 9.411 18.016 -11.900 281 HG13 ILE 38 3HG1 ILE 38 10.748 17.033 -11.312 282 HG21 ILE 38 1HG2 ILE 38 9.575 18.463 -14.310 283 HG22 ILE 38 2HG2 ILE 38 10.327 17.290 -15.392 284 HG23 ILE 38 3HG2 ILE 38 8.685 17.024 -14.806 285 HD11 ILE 38 3HD1 ILE 38 11.578 19.217 -11.470 286 HD12 ILE 38 1HD1 ILE 38 12.225 18.368 -12.874 287 HD13 ILE 38 2HD1 ILE 38 10.857 19.465 -13.060 288 H VAL 39 H VAL 39 7.266 15.308 -14.503 289 HA VAL 39 HA VAL 39 8.588 13.586 -16.469 290 HB VAL 39 HB VAL 39 6.782 12.009 -16.557 291 HG11 VAL 39 1HG1 VAL 39 8.455 11.415 -14.974 292 HG12 VAL 39 2HG1 VAL 39 7.776 12.497 -13.755 293 HG13 VAL 39 3HG1 VAL 39 6.895 11.047 -14.240 294 HG21 VAL 39 3HG2 VAL 39 5.049 12.258 -14.572 295 HG22 VAL 39 1HG2 VAL 39 5.442 13.967 -14.767 296 HG23 VAL 39 2HG2 VAL 39 4.793 13.050 -16.127 297 H GLU 40 H GLU 40 7.734 13.707 -18.555 298 HA GLU 40 HA GLU 40 6.260 16.142 -19.095 299 HB2 GLU 40 2HB GLU 40 8.161 15.707 -20.497 300 HB3 GLU 40 3HB GLU 40 7.565 14.102 -20.897 301 HG2 GLU 40 2HG GLU 40 5.682 15.093 -22.091 302 HG3 GLU 40 3HG GLU 40 6.274 16.704 -21.687 303 H TYR 41 H TYR 41 4.294 16.275 -20.179 304 HA TYR 41 HA TYR 41 2.837 13.834 -20.782 305 HB2 TYR 41 2HB TYR 41 2.417 14.297 -18.361 306 HB3 TYR 41 3HB TYR 41 1.716 15.845 -18.819 307 HD1 TYR 41 HD2 TYR 41 1.325 12.175 -19.252 308 HD2 TYR 41 HD1 TYR 41 -0.540 15.994 -19.450 309 HE1 TYR 41 HE2 TYR 41 -0.858 11.086 -19.562 310 HE2 TYR 41 HE1 TYR 41 -2.728 14.916 -19.759 311 HH TYR 41 HH TYR 41 -3.182 11.525 -19.328 312 H ASN 42 H ASN 42 2.050 14.174 -22.743 313 HA ASN 42 HA ASN 42 1.176 15.185 -24.585 314 HB2 ASN 42 2HB ASN 42 -0.244 16.695 -22.390 315 HB3 ASN 42 3HB ASN 42 -0.619 16.920 -24.095 316 HD21 ASN 42 1HD2 ASN 42 -2.528 16.081 -22.326 317 HD22 ASN 42 2HD2 ASN 42 -2.949 14.439 -22.660 318 H GLY 43 H GLY 43 3.685 16.236 -23.442 319 HA2 GLY 43 2HA GLY 43 5.145 17.824 -24.350 320 HA3 GLY 43 3HA GLY 43 3.763 18.689 -25.005 321 H LYS 44 H LYS 44 3.588 17.779 -21.699 322 HA LYS 44 HA LYS 44 4.134 20.569 -20.924 323 HB2 LYS 44 2HB LYS 44 2.245 18.546 -19.711 324 HB3 LYS 44 3HB LYS 44 2.607 20.109 -18.990 325 HG2 LYS 44 2HG LYS 44 1.887 20.851 -21.495 326 HG3 LYS 44 3HG LYS 44 0.871 19.427 -21.252 327 HD2 LYS 44 2HD LYS 44 -0.383 20.434 -19.666 328 HD3 LYS 44 3HD LYS 44 0.993 21.304 -18.983 329 HE2 LYS 44 2HE LYS 44 0.142 23.128 -19.941 330 HE3 LYS 44 3HE LYS 44 0.678 22.447 -21.476 331 HZ1 LYS 44 3HZ LYS 44 -1.886 21.493 -20.508 332 HZ2 LYS 44 1HZ LYS 44 -1.411 21.928 -22.073 333 HZ3 LYS 44 2HZ LYS 44 -1.844 23.123 -20.958 334 H LEU 45 H LEU 45 4.421 20.501 -18.309 335 HA LEU 45 HA LEU 45 6.282 18.373 -17.583 336 HB2 LEU 45 2HB LEU 45 6.965 21.264 -17.883 337 HB3 LEU 45 3HB LEU 45 7.771 20.303 -16.645 338 HG LEU 45 HG LEU 45 7.826 19.779 -19.616 339 HD11 LEU 45 1HD1 LEU 45 10.352 20.244 -18.293 340 HD12 LEU 45 2HD1 LEU 45 9.266 21.622 -18.123 341 HD13 LEU 45 3HD1 LEU 45 9.671 21.011 -19.726 342 HD21 LEU 45 3HD2 LEU 45 9.662 18.160 -18.860 343 HD22 LEU 45 1HD2 LEU 45 7.985 17.672 -18.620 344 HD23 LEU 45 2HD2 LEU 45 8.926 18.281 -17.260 345 H TYR 46 H TYR 46 5.457 17.618 -15.752 346 HA TYR 46 HA TYR 46 4.449 19.550 -13.767 347 HB2 TYR 46 2HB TYR 46 3.609 16.672 -14.168 348 HB3 TYR 46 3HB TYR 46 2.978 17.764 -12.939 349 HD1 TYR 46 HD1 TYR 46 1.480 19.598 -13.556 350 HD2 TYR 46 HD2 TYR 46 2.914 16.851 -16.472 351 HE1 TYR 46 HE1 TYR 46 -0.254 20.365 -15.122 352 HE2 TYR 46 HE2 TYR 46 1.184 17.611 -18.047 353 HH TYR 46 HH TYR 46 -1.358 19.804 -17.065 354 H LYS 47 H LYS 47 4.791 19.030 -11.528 355 HA LYS 47 HA LYS 47 6.983 17.136 -11.026 356 HB2 LYS 47 2HB LYS 47 8.068 19.263 -11.114 357 HB3 LYS 47 3HB LYS 47 6.817 20.013 -10.132 358 HG2 LYS 47 2HG LYS 47 7.683 19.244 -8.189 359 HG3 LYS 47 3HG LYS 47 8.284 17.752 -8.917 360 HD2 LYS 47 2HD LYS 47 10.313 18.679 -8.853 361 HD3 LYS 47 3HD LYS 47 9.765 19.750 -10.146 362 HE2 LYS 47 2HE LYS 47 8.826 21.206 -8.236 363 HE3 LYS 47 3HE LYS 47 9.887 20.261 -7.192 364 HZ1 LYS 47 3HZ LYS 47 10.539 22.406 -8.929 365 HZ2 LYS 47 1HZ LYS 47 11.435 21.030 -9.338 366 HZ3 LYS 47 2HZ LYS 47 11.502 21.646 -7.764 367 H ALA 48 H ALA 48 6.374 15.703 -9.558 368 HA ALA 48 HA ALA 48 4.012 15.858 -8.063 369 HB1 ALA 48 1HB ALA 48 6.420 14.095 -7.966 370 HB2 ALA 48 2HB ALA 48 5.201 13.985 -6.695 371 HB3 ALA 48 3HB ALA 48 4.752 13.698 -8.377 372 H LYS 49 H LYS 49 3.563 17.174 -6.435 373 HA LYS 49 HA LYS 49 5.468 18.686 -5.023 374 HB2 LYS 49 2HB LYS 49 2.629 18.014 -4.225 375 HB3 LYS 49 3HB LYS 49 3.605 19.313 -3.550 376 HG2 LYS 49 2HG LYS 49 3.690 20.374 -5.765 377 HG3 LYS 49 3HG LYS 49 2.658 19.091 -6.400 378 HD2 LYS 49 2HD LYS 49 0.799 19.841 -5.266 379 HD3 LYS 49 3HD LYS 49 1.754 20.631 -4.009 380 HE2 LYS 49 2HE LYS 49 2.529 22.101 -6.092 381 HE3 LYS 49 3HE LYS 49 0.947 21.608 -6.692 382 HZ1 LYS 49 3HZ LYS 49 -0.066 22.991 -5.298 383 HZ2 LYS 49 1HZ LYS 49 1.448 23.688 -5.005 384 HZ3 LYS 49 2HZ LYS 49 0.857 22.486 -3.972 385 H TYR 50 H TYR 50 3.640 15.785 -4.085 386 HA TYR 50 HA TYR 50 5.754 15.134 -2.175 387 HB2 TYR 50 2HB TYR 50 4.301 14.823 -0.333 388 HB3 TYR 50 3HB TYR 50 3.865 16.388 -1.010 389 HD1 TYR 50 HD2 TYR 50 1.973 16.163 -2.939 390 HD2 TYR 50 HD1 TYR 50 2.555 13.467 0.302 391 HE1 TYR 50 HE2 TYR 50 -0.366 15.430 -3.136 392 HE2 TYR 50 HE1 TYR 50 0.217 12.726 0.112 393 HH TYR 50 HH TYR 50 -1.637 12.790 -1.165 394 H TRP 51 H TRP 51 5.196 12.884 -1.161 395 HA TRP 51 HA TRP 51 5.317 10.967 -3.135 396 HB2 TRP 51 2HB TRP 51 5.576 10.918 -0.444 397 HB3 TRP 51 3HB TRP 51 4.021 10.108 -0.615 398 HD1 TRP 51 HD1 TRP 51 7.651 9.757 -1.933 399 HE1 TRP 51 HE1 TRP 51 8.106 7.256 -2.342 400 HE3 TRP 51 HE3 TRP 51 3.009 7.900 -0.862 401 HZ2 TRP 51 HZ2 TRP 51 6.685 4.820 -2.227 402 HZ3 TRP 51 HZ3 TRP 51 2.640 5.474 -1.037 403 HH2 TRP 51 HH2 TRP 51 4.442 3.967 -1.705 404 H THR 52 H THR 52 3.872 10.503 -4.650 405 HA THR 52 HA THR 52 1.198 9.727 -3.942 406 HB THR 52 HB THR 52 1.480 12.079 -5.816 407 HG1 THR 52 HG1 THR 52 0.598 12.013 -3.103 408 HG21 THR 52 3HG2 THR 52 -0.720 10.307 -4.990 409 HG22 THR 52 1HG2 THR 52 -0.528 11.268 -6.456 410 HG23 THR 52 2HG2 THR 52 -1.097 12.029 -4.969 411 H THR 53 H THR 53 0.106 8.640 -5.631 412 HA THR 53 HA THR 53 1.725 8.111 -8.032 413 HB THR 53 HB THR 53 1.130 5.762 -7.967 414 HG1 THR 53 HG1 THR 53 -0.586 5.232 -6.860 415 HG21 THR 53 3HG2 THR 53 2.038 6.207 -5.169 416 HG22 THR 53 1HG2 THR 53 3.033 6.847 -6.476 417 HG23 THR 53 2HG2 THR 53 2.676 5.122 -6.404 418 H SER 54 H SER 54 0.601 8.999 -9.645 419 HA SER 54 HA SER 54 -1.789 7.953 -10.590 420 HB2 SER 54 2HB SER 54 -3.234 8.858 -9.079 421 HB3 SER 54 3HB SER 54 -2.116 10.143 -8.623 422 HG SER 54 HG SER 54 -3.624 11.213 -9.729 423 HA PRO 55 HA PRO 55 -0.485 10.239 -14.104 424 HB2 PRO 55 2HB PRO 55 -2.803 10.373 -15.509 425 HB3 PRO 55 3HB PRO 55 -1.868 8.883 -15.340 426 HG2 PRO 55 2HG PRO 55 -4.299 9.775 -13.838 427 HG3 PRO 55 3HG PRO 55 -3.916 8.174 -14.498 428 HD2 PRO 55 2HD PRO 55 -3.603 8.783 -11.878 429 HD3 PRO 55 3HD PRO 55 -2.550 7.631 -12.724 430 HA PRO 56 HA PRO 56 -1.356 14.514 -13.493 431 HB2 PRO 56 2HB PRO 56 -0.731 15.482 -15.951 432 HB3 PRO 56 3HB PRO 56 0.489 14.936 -14.794 433 HG2 PRO 56 2HG PRO 56 -0.676 13.492 -17.144 434 HG3 PRO 56 3HG PRO 56 1.013 13.578 -16.609 435 HD2 PRO 56 2HD PRO 56 -0.571 11.444 -16.094 436 HD3 PRO 56 3HD PRO 56 0.712 11.971 -14.986 437 H SER 57 H SER 57 -3.149 15.725 -13.526 438 HA SER 57 HA SER 57 -4.764 16.265 -15.726 439 HB2 SER 57 2HB SER 57 -5.386 13.738 -14.359 440 HB3 SER 57 3HB SER 57 -6.768 14.818 -14.537 441 HG SER 57 HG SER 57 -6.726 13.691 -16.399 442 H ASP 58 H ASP 58 -5.679 15.312 -12.418 443 HA ASP 58 HA ASP 58 -6.119 18.130 -11.758 444 HB2 ASP 58 2HB ASP 58 -8.309 17.531 -12.407 445 HB3 ASP 58 3HB ASP 58 -8.190 15.946 -11.647 446 H ASP 59 H ASP 59 -5.026 18.532 -9.965 447 HA ASP 59 HA ASP 59 -4.693 16.369 -7.995 448 HB2 ASP 59 2HB ASP 59 -2.804 18.076 -7.221 449 HB3 ASP 59 3HB ASP 59 -2.522 16.899 -8.501 450 HA PRO 60 HA PRO 60 -7.510 19.381 -5.945 451 HB2 PRO 60 2HB PRO 60 -8.935 17.479 -4.633 452 HB3 PRO 60 3HB PRO 60 -9.293 17.974 -6.292 453 HG2 PRO 60 2HG PRO 60 -7.768 15.591 -5.312 454 HG3 PRO 60 3HG PRO 60 -8.975 15.692 -6.609 455 HD2 PRO 60 2HD PRO 60 -6.312 15.635 -7.097 456 HD3 PRO 60 3HD PRO 60 -7.454 16.519 -8.131 457 H TYR 61 H TYR 61 -5.252 17.026 -4.934 458 HA TYR 61 HA TYR 61 -5.357 18.030 -2.167 459 HB2 TYR 61 2HB TYR 61 -3.792 15.822 -1.984 460 HB3 TYR 61 3HB TYR 61 -5.534 15.814 -1.735 461 HD1 TYR 61 HD1 TYR 61 -3.051 15.510 -4.514 462 HD2 TYR 61 HD2 TYR 61 -6.791 14.272 -2.907 463 HE1 TYR 61 HE1 TYR 61 -3.298 13.893 -6.350 464 HE2 TYR 61 HE2 TYR 61 -7.048 12.650 -4.739 465 HH TYR 61 HH TYR 61 -4.495 11.820 -6.830 466 H GLY 62 H GLY 62 -3.695 18.339 -5.003 467 HA2 GLY 62 2HA GLY 62 -1.777 19.585 -5.406 468 HA3 GLY 62 3HA GLY 62 -1.473 19.622 -3.676 469 H SER 63 H SER 63 -1.804 16.954 -6.013 470 HA SER 63 HA SER 63 0.554 15.695 -4.866 471 HB2 SER 63 2HB SER 63 -0.069 13.744 -6.154 472 HB3 SER 63 3HB SER 63 -1.513 14.379 -5.365 473 HG SER 63 HG SER 63 -1.354 13.837 -7.840 474 H TRP 64 H TRP 64 -0.237 17.701 -7.488 475 HA TRP 64 HA TRP 64 2.427 17.258 -8.638 476 HB2 TRP 64 2HB TRP 64 -0.200 17.288 -10.102 477 HB3 TRP 64 3HB TRP 64 1.294 17.744 -10.915 478 HD1 TRP 64 HD1 TRP 64 -0.701 14.754 -9.870 479 HE1 TRP 64 HE1 TRP 64 0.551 12.600 -10.515 480 HE3 TRP 64 HE3 TRP 64 3.826 16.785 -11.099 481 HZ2 TRP 64 HZ2 TRP 64 3.119 11.860 -11.423 482 HZ3 TRP 64 HZ3 TRP 64 5.628 15.286 -11.846 483 HH2 TRP 64 HH2 TRP 64 5.280 12.874 -12.004 484 H GLU 65 H GLU 65 3.174 19.090 -9.968 485 HA GLU 65 HA GLU 65 1.817 21.625 -9.486 486 HB2 GLU 65 2HB GLU 65 3.447 21.150 -7.588 487 HB3 GLU 65 3HB GLU 65 4.730 21.313 -8.778 488 HG2 GLU 65 2HG GLU 65 3.689 23.600 -9.290 489 HG3 GLU 65 3HG GLU 65 2.840 23.395 -7.760 490 H TYR 66 H TYR 66 1.589 22.349 -11.500 491 HA TYR 66 HA TYR 66 3.276 21.677 -13.658 492 HB2 TYR 66 2HB TYR 66 1.074 22.291 -14.224 493 HB3 TYR 66 3HB TYR 66 1.147 23.770 -13.272 494 HD1 TYR 66 HD1 TYR 66 2.256 25.758 -14.144 495 HD2 TYR 66 HD2 TYR 66 2.020 22.192 -16.453 496 HE1 TYR 66 HE1 TYR 66 2.885 27.026 -16.154 497 HE2 TYR 66 HE2 TYR 66 2.649 23.450 -18.470 498 HH TYR 66 HH TYR 66 2.561 25.794 -19.279 499 H LEU 67 H LEU 67 5.317 22.299 -13.869 500 HA LEU 67 HA LEU 67 6.135 24.923 -12.847 501 HB2 LEU 67 2HB LEU 67 7.987 22.800 -13.871 502 HB3 LEU 67 3HB LEU 67 8.333 24.121 -12.757 503 HG LEU 67 HG LEU 67 6.696 21.664 -12.134 504 HD11 LEU 67 1HD1 LEU 67 8.724 21.500 -10.454 505 HD12 LEU 67 2HD1 LEU 67 9.543 22.407 -11.724 506 HD13 LEU 67 3HD1 LEU 67 8.822 20.840 -12.087 507 HD21 LEU 67 3HD2 LEU 67 6.685 24.214 -10.929 508 HD22 LEU 67 1HD2 LEU 67 7.567 23.135 -9.847 509 HD23 LEU 67 2HD2 LEU 67 5.925 22.731 -10.349 510 H GLY 68 H GLY 68 5.267 23.418 -15.712 511 HA2 GLY 68 2HA GLY 68 5.416 25.491 -17.409 512 HA3 GLY 68 3HA GLY 68 7.073 24.905 -17.431 513 H GLU 69 H GLU 69 6.481 24.656 -19.765 514 HA GLU 69 HA GLU 69 5.155 22.060 -20.206 515 HB2 GLU 69 2HB GLU 69 4.734 24.626 -21.450 516 HB3 GLU 69 3HB GLU 69 5.252 23.452 -22.651 517 HG2 GLU 69 2HG GLU 69 3.435 21.999 -22.119 518 HG3 GLU 69 3HG GLU 69 2.981 22.993 -20.736 519 H ALA 70 H ALA 70 6.047 20.672 -21.792 520 HA ALA 70 HA ALA 70 8.789 20.356 -21.751 521 HB1 ALA 70 1HB ALA 70 8.432 18.892 -23.785 522 HB2 ALA 70 2HB ALA 70 7.466 18.500 -22.360 523 HB3 ALA 70 3HB ALA 70 6.734 19.368 -23.711 524 H GLU 71 H GLU 71 6.793 22.060 -24.117 525 HA GLU 71 HA GLU 71 9.264 23.066 -25.371 526 HB2 GLU 71 2HB GLU 71 6.700 22.137 -26.511 527 HB3 GLU 71 3HB GLU 71 7.375 23.588 -27.238 528 HG2 GLU 71 2HG GLU 71 9.360 22.462 -27.862 529 HG3 GLU 71 3HG GLU 71 8.952 21.057 -26.879 530 HA PRO 72 HA PRO 72 7.703 26.845 -23.475 531 HB2 PRO 72 2HB PRO 72 10.005 28.237 -23.839 532 HB3 PRO 72 3HB PRO 72 9.777 27.086 -22.517 533 HG2 PRO 72 2HG PRO 72 11.176 26.710 -25.136 534 HG3 PRO 72 3HG PRO 72 11.673 26.184 -23.517 535 HD2 PRO 72 2HD PRO 72 10.527 24.505 -25.305 536 HD3 PRO 72 3HD PRO 72 10.290 24.341 -23.554 537 H THR 73 H THR 73 6.767 28.603 -24.376 538 HA THR 73 HA THR 73 6.707 28.819 -27.234 539 HB THR 73 HB THR 73 5.480 30.630 -25.145 540 HG1 THR 73 HG1 THR 73 4.588 28.571 -25.014 541 HG21 THR 73 3HG2 THR 73 5.674 31.766 -27.277 542 HG22 THR 73 1HG2 THR 73 3.990 31.330 -26.993 543 HG23 THR 73 2HG2 THR 73 4.969 30.382 -28.111 Start of MODEL 11 1 H1 GLY 1 H GLY 1 32.707 0.339 -4.532 2 HA2 GLY 1 2HA GLY 1 34.277 2.664 -4.634 3 HA3 GLY 1 3HA GLY 1 32.959 2.279 -5.731 4 HA PRO 2 HA PRO 2 31.808 6.066 -3.305 5 HB2 PRO 2 2HB PRO 2 30.994 7.495 -5.466 6 HB3 PRO 2 3HB PRO 2 32.672 7.463 -4.912 7 HG2 PRO 2 2HG PRO 2 31.380 5.924 -7.131 8 HG3 PRO 2 3HG PRO 2 32.954 6.739 -7.104 9 HD2 PRO 2 2HD PRO 2 32.691 4.064 -6.770 10 HD3 PRO 2 3HD PRO 2 33.974 5.004 -5.979 11 H SER 3 H SER 3 29.680 7.064 -3.117 12 HA SER 3 HA SER 3 27.443 5.953 -4.523 13 HB2 SER 3 2HB SER 3 28.334 4.627 -2.147 14 HB3 SER 3 3HB SER 3 26.776 5.385 -1.822 15 HG SER 3 HG SER 3 26.145 3.555 -2.727 16 H THR 4 H THR 4 26.245 7.701 -4.816 17 HA THR 4 HA THR 4 26.083 9.695 -2.657 18 HB THR 4 HB THR 4 25.379 11.304 -4.371 19 HG1 THR 4 HG1 THR 4 24.427 10.141 -5.957 20 HG21 THR 4 3HG2 THR 4 27.707 11.310 -3.980 21 HG22 THR 4 1HG2 THR 4 27.533 11.276 -5.734 22 HG23 THR 4 2HG2 THR 4 27.939 9.800 -4.860 23 H SER 5 H SER 5 24.100 10.486 -1.977 24 HA SER 5 HA SER 5 21.885 8.670 -2.298 25 HB2 SER 5 2HB SER 5 22.394 11.106 -0.613 26 HB3 SER 5 3HB SER 5 20.766 10.443 -0.753 27 HG SER 5 HG SER 5 21.374 9.086 0.719 28 H MET 6 H MET 6 19.624 9.823 -2.457 29 HA MET 6 HA MET 6 19.368 12.131 -4.057 30 HB2 MET 6 2HB MET 6 20.367 10.395 -5.677 31 HB3 MET 6 3HB MET 6 18.790 9.621 -5.611 32 HG2 MET 6 2HG MET 6 18.003 11.025 -7.118 33 HG3 MET 6 3HG MET 6 18.422 12.399 -6.099 34 HE1 MET 6 3HE MET 6 20.726 14.226 -8.248 35 HE2 MET 6 1HE MET 6 18.979 14.006 -8.363 36 HE3 MET 6 2HE MET 6 19.749 14.135 -6.781 37 H GLU 7 H GLU 7 17.207 12.717 -4.391 38 HA GLU 7 HA GLU 7 15.248 10.963 -3.059 39 HB2 GLU 7 2HB GLU 7 14.078 12.918 -2.297 40 HB3 GLU 7 3HB GLU 7 15.770 13.077 -1.846 41 HG2 GLU 7 2HG GLU 7 15.983 14.417 -4.045 42 HG3 GLU 7 3HG GLU 7 14.229 14.552 -3.937 43 H ASN 8 H ASN 8 15.998 12.870 -5.853 44 HA ASN 8 HA ASN 8 13.415 12.095 -7.043 45 HB2 ASN 8 2HB ASN 8 13.586 14.537 -6.703 46 HB3 ASN 8 3HB ASN 8 15.052 14.560 -7.679 47 HD21 ASN 8 1HD2 ASN 8 13.591 16.180 -8.779 48 HD22 ASN 8 2HD2 ASN 8 12.604 15.580 -10.063 49 H LEU 9 H LEU 9 14.074 10.239 -8.050 50 HA LEU 9 HA LEU 9 16.428 10.322 -9.777 51 HB2 LEU 9 2HB LEU 9 15.898 7.876 -10.080 52 HB3 LEU 9 3HB LEU 9 16.358 8.381 -8.455 53 HG LEU 9 HG LEU 9 13.466 8.360 -8.927 54 HD11 LEU 9 1HD1 LEU 9 14.926 5.727 -8.858 55 HD12 LEU 9 2HD1 LEU 9 14.226 6.431 -10.316 56 HD13 LEU 9 3HD1 LEU 9 13.184 5.991 -8.963 57 HD21 LEU 9 3HD2 LEU 9 13.600 7.070 -6.767 58 HD22 LEU 9 1HD2 LEU 9 14.274 8.700 -6.725 59 HD23 LEU 9 2HD2 LEU 9 15.348 7.305 -6.829 60 H VAL 10 H VAL 10 13.581 11.514 -10.210 61 HA VAL 10 HA VAL 10 12.270 10.278 -12.296 62 HB VAL 10 HB VAL 10 11.559 12.379 -11.082 63 HG11 VAL 10 1HG1 VAL 10 13.840 13.478 -11.723 64 HG12 VAL 10 2HG1 VAL 10 12.986 13.922 -13.202 65 HG13 VAL 10 3HG1 VAL 10 12.378 14.459 -11.636 66 HG21 VAL 10 3HG2 VAL 10 10.630 11.361 -13.305 67 HG22 VAL 10 1HG2 VAL 10 10.086 12.947 -12.757 68 HG23 VAL 10 2HG2 VAL 10 11.307 12.823 -14.024 69 H SER 11 H SER 11 15.272 12.046 -12.337 70 HA SER 11 HA SER 11 15.380 12.393 -15.175 71 HB2 SER 11 2HB SER 11 17.941 12.689 -14.514 72 HB3 SER 11 3HB SER 11 16.748 13.937 -14.155 73 HG SER 11 HG SER 11 18.259 13.073 -12.411 74 H LEU 12 H LEU 12 16.735 10.063 -12.886 75 HA LEU 12 HA LEU 12 17.889 8.524 -15.085 76 HB2 LEU 12 2HB LEU 12 18.789 7.106 -13.207 77 HB3 LEU 12 3HB LEU 12 19.381 8.763 -13.283 78 HG LEU 12 HG LEU 12 17.085 8.576 -11.546 79 HD11 LEU 12 1HD1 LEU 12 18.337 7.291 -9.757 80 HD12 LEU 12 2HD1 LEU 12 19.363 6.680 -11.055 81 HD13 LEU 12 3HD1 LEU 12 17.633 6.338 -11.064 82 HD21 LEU 12 3HD2 LEU 12 19.952 9.439 -11.306 83 HD22 LEU 12 1HD2 LEU 12 18.845 9.472 -9.933 84 HD23 LEU 12 2HD2 LEU 12 18.499 10.438 -11.368 85 H GLN 13 H GLN 13 14.935 8.786 -14.315 86 HA GLN 13 HA GLN 13 14.118 6.207 -13.422 87 HB2 GLN 13 2HB GLN 13 12.807 8.674 -14.364 88 HB3 GLN 13 3HB GLN 13 11.915 7.191 -14.679 89 HG2 GLN 13 2HG GLN 13 12.117 6.625 -12.272 90 HG3 GLN 13 3HG GLN 13 12.861 8.201 -12.009 91 HE21 GLN 13 1HE2 GLN 13 11.002 8.360 -10.508 92 HE22 GLN 13 2HE2 GLN 13 9.509 8.966 -11.133 93 H ASN 14 H ASN 14 14.877 7.592 -16.510 94 HA ASN 14 HA ASN 14 15.086 5.132 -17.814 95 HB2 ASN 14 2HB ASN 14 13.096 5.578 -19.442 96 HB3 ASN 14 3HB ASN 14 12.787 4.788 -17.898 97 HD21 ASN 14 1HD2 ASN 14 11.312 5.639 -16.602 98 HD22 ASN 14 2HD2 ASN 14 10.596 7.201 -16.785 99 H LEU 15 H LEU 15 16.882 6.962 -17.865 100 HA LEU 15 HA LEU 15 17.278 7.627 -20.551 101 HB2 LEU 15 2HB LEU 15 15.679 9.507 -19.106 102 HB3 LEU 15 3HB LEU 15 17.219 10.255 -19.524 103 HG LEU 15 HG LEU 15 15.321 8.974 -21.490 104 HD11 LEU 15 1HD1 LEU 15 15.830 11.867 -20.818 105 HD12 LEU 15 2HD1 LEU 15 14.327 10.971 -20.597 106 HD13 LEU 15 3HD1 LEU 15 14.922 11.306 -22.222 107 HD21 LEU 15 3HD2 LEU 15 16.788 10.236 -23.120 108 HD22 LEU 15 1HD2 LEU 15 17.511 8.818 -22.360 109 HD23 LEU 15 2HD2 LEU 15 17.934 10.434 -21.793 110 H LEU 16 H LEU 16 19.377 7.125 -20.467 111 HA LEU 16 HA LEU 16 21.055 8.562 -18.518 112 HB2 LEU 16 2HB LEU 16 21.582 5.813 -19.630 113 HB3 LEU 16 3HB LEU 16 22.526 6.659 -18.406 114 HG LEU 16 HG LEU 16 19.656 6.020 -17.875 115 HD11 LEU 16 1HD1 LEU 16 21.968 4.100 -17.677 116 HD12 LEU 16 2HD1 LEU 16 20.488 3.908 -18.617 117 HD13 LEU 16 3HD1 LEU 16 20.422 3.879 -16.855 118 HD21 LEU 16 3HD2 LEU 16 21.958 5.919 -15.966 119 HD22 LEU 16 1HD2 LEU 16 20.252 6.225 -15.643 120 HD23 LEU 16 2HD2 LEU 16 21.236 7.462 -16.424 121 H VAL 17 H VAL 17 20.699 9.925 -20.706 122 HA VAL 17 HA VAL 17 22.511 9.217 -22.827 123 HB VAL 17 HB VAL 17 21.975 11.488 -23.714 124 HG11 VAL 17 1HG1 VAL 17 19.492 10.986 -24.025 125 HG12 VAL 17 2HG1 VAL 17 20.636 9.742 -24.537 126 HG13 VAL 17 3HG1 VAL 17 19.772 9.572 -23.009 127 HG21 VAL 17 3HG2 VAL 17 21.580 12.468 -21.420 128 HG22 VAL 17 1HG2 VAL 17 20.393 12.896 -22.652 129 HG23 VAL 17 2HG2 VAL 17 20.007 11.671 -21.443 130 H TYR 18 H TYR 18 22.683 10.999 -19.879 131 HA TYR 18 HA TYR 18 24.383 12.078 -18.822 132 HB2 TYR 18 2HB TYR 18 25.732 10.238 -20.679 133 HB3 TYR 18 3HB TYR 18 26.715 11.606 -20.171 134 HD1 TYR 18 HD1 TYR 18 26.152 12.069 -17.442 135 HD2 TYR 18 HD2 TYR 18 26.270 8.341 -19.491 136 HE1 TYR 18 HE1 TYR 18 26.654 10.927 -15.323 137 HE2 TYR 18 HE2 TYR 18 26.771 7.189 -17.377 138 HH TYR 18 HH TYR 18 26.227 7.935 -14.699 139 H VAL 19 H VAL 19 23.357 14.051 -19.594 140 HA VAL 19 HA VAL 19 25.180 15.884 -20.653 141 HB VAL 19 HB VAL 19 24.906 14.882 -22.804 142 HG11 VAL 19 1HG1 VAL 19 22.905 13.621 -22.519 143 HG12 VAL 19 2HG1 VAL 19 21.947 15.083 -22.275 144 HG13 VAL 19 3HG1 VAL 19 22.637 14.733 -23.860 145 HG21 VAL 19 3HG2 VAL 19 23.045 17.077 -23.318 146 HG22 VAL 19 1HG2 VAL 19 24.415 17.526 -22.301 147 HG23 VAL 19 2HG2 VAL 19 24.692 16.827 -23.897 148 H ASN 20 H ASN 20 24.550 17.891 -20.108 149 HA ASN 20 HA ASN 20 22.377 18.386 -18.493 150 HB2 ASN 20 2HB ASN 20 24.353 19.884 -18.771 151 HB3 ASN 20 3HB ASN 20 23.694 20.409 -20.317 152 HD21 ASN 20 1HD2 ASN 20 23.602 22.540 -19.560 153 HD22 ASN 20 2HD2 ASN 20 22.370 23.057 -18.465 154 H TRP 21 H TRP 21 20.302 18.090 -18.961 155 HA TRP 21 HA TRP 21 18.276 18.244 -19.984 156 HB2 TRP 21 2HB TRP 21 18.284 20.531 -20.208 157 HB3 TRP 21 3HB TRP 21 19.771 20.541 -21.152 158 HD1 TRP 21 HD1 TRP 21 16.017 20.503 -21.513 159 HE1 TRP 21 HE1 TRP 21 15.397 20.641 -24.008 160 HE3 TRP 21 HE3 TRP 21 20.654 19.784 -23.544 161 HZ2 TRP 21 HZ2 TRP 21 16.700 20.466 -26.505 162 HZ3 TRP 21 HZ3 TRP 21 20.880 19.783 -25.993 163 HH2 TRP 21 HH2 TRP 21 18.944 20.116 -27.442 164 H SER 22 H SER 22 17.190 17.255 -21.655 165 HA SER 22 HA SER 22 18.109 16.855 -24.252 166 HB2 SER 22 2HB SER 22 19.171 14.945 -22.256 167 HB3 SER 22 3HB SER 22 18.513 14.228 -23.726 168 HG SER 22 HG SER 22 19.933 15.512 -24.928 169 H SER 23 H SER 23 15.759 17.464 -23.993 170 HA SER 23 HA SER 23 13.537 16.973 -24.119 171 HB2 SER 23 2HB SER 23 14.444 14.257 -25.086 172 HB3 SER 23 3HB SER 23 12.955 15.106 -25.497 173 HG SER 23 HG SER 23 14.211 15.557 -27.185 174 H TYR 24 H TYR 24 13.042 16.998 -21.924 175 HA TYR 24 HA TYR 24 13.490 15.065 -20.026 176 HB2 TYR 24 2HB TYR 24 11.352 17.110 -20.410 177 HB3 TYR 24 3HB TYR 24 11.129 15.901 -19.151 178 HD1 TYR 24 HD1 TYR 24 14.345 17.412 -20.210 179 HD2 TYR 24 HD2 TYR 24 11.327 17.237 -17.218 180 HE1 TYR 24 HE1 TYR 24 15.774 18.728 -18.702 181 HE2 TYR 24 HE2 TYR 24 12.746 18.553 -15.701 182 HH TYR 24 HH TYR 24 15.420 20.262 -16.704 183 HA PRO 25 HA PRO 25 11.109 11.524 -21.054 184 HB2 PRO 25 2HB PRO 25 10.485 10.593 -18.581 185 HB3 PRO 25 3HB PRO 25 12.111 10.487 -19.266 186 HG2 PRO 25 2HG PRO 25 11.000 12.475 -17.322 187 HG3 PRO 25 3HG PRO 25 12.572 11.652 -17.307 188 HD2 PRO 25 2HD PRO 25 12.268 14.199 -18.175 189 HD3 PRO 25 3HD PRO 25 13.485 13.098 -18.853 190 H LYS 26 H LYS 26 8.976 10.486 -20.729 191 HA LYS 26 HA LYS 26 6.909 12.527 -20.287 192 HB2 LYS 26 2HB LYS 26 5.954 11.764 -22.154 193 HB3 LYS 26 3HB LYS 26 7.324 10.683 -22.372 194 HG2 LYS 26 2HG LYS 26 6.138 9.004 -20.970 195 HG3 LYS 26 3HG LYS 26 4.736 10.076 -20.962 196 HD2 LYS 26 2HD LYS 26 5.103 9.997 -23.577 197 HD3 LYS 26 3HD LYS 26 5.895 8.469 -23.184 198 HE2 LYS 26 2HE LYS 26 3.926 7.583 -22.231 199 HE3 LYS 26 3HE LYS 26 3.145 9.162 -22.186 200 HZ1 LYS 26 3HZ LYS 26 2.434 7.578 -24.007 201 HZ2 LYS 26 1HZ LYS 26 3.932 7.880 -24.733 202 HZ3 LYS 26 2HZ LYS 26 2.838 9.148 -24.490 203 H TYR 27 H TYR 27 4.884 11.842 -19.293 204 HA TYR 27 HA TYR 27 5.164 10.742 -16.796 205 HB2 TYR 27 2HB TYR 27 3.184 11.940 -17.178 206 HB3 TYR 27 3HB TYR 27 2.780 10.997 -18.608 207 HD1 TYR 27 HD1 TYR 27 3.518 10.220 -15.020 208 HD2 TYR 27 HD2 TYR 27 0.903 9.698 -18.335 209 HE1 TYR 27 HE1 TYR 27 2.077 8.772 -13.648 210 HE2 TYR 27 HE2 TYR 27 -0.546 8.250 -16.973 211 HH TYR 27 HH TYR 27 0.356 7.318 -13.689 212 H GLU 28 H GLU 28 5.701 8.780 -16.136 213 HA GLU 28 HA GLU 28 5.069 6.483 -17.863 214 HB2 GLU 28 2HB GLU 28 7.419 7.237 -16.326 215 HB3 GLU 28 3HB GLU 28 6.871 5.615 -15.927 216 HG2 GLU 28 2HG GLU 28 7.616 6.661 -18.645 217 HG3 GLU 28 3HG GLU 28 8.495 5.481 -17.675 218 HA PRO 29 HA PRO 29 2.141 5.797 -14.456 219 HB2 PRO 29 2HB PRO 29 0.510 4.188 -15.912 220 HB3 PRO 29 3HB PRO 29 0.435 5.953 -15.987 221 HG2 PRO 29 2HG PRO 29 1.764 4.031 -17.858 222 HG3 PRO 29 3HG PRO 29 0.791 5.465 -18.232 223 HD2 PRO 29 2HD PRO 29 3.497 5.481 -18.310 224 HD3 PRO 29 3HD PRO 29 2.546 6.911 -17.857 225 H GLY 30 H GLY 30 2.427 4.279 -12.949 226 HA2 GLY 30 2HA GLY 30 2.348 1.939 -12.325 227 HA3 GLY 30 3HA GLY 30 3.197 1.567 -13.817 228 H LYS 31 H LYS 31 4.232 4.305 -11.989 229 HA LYS 31 HA LYS 31 6.285 2.806 -10.576 230 HB2 LYS 31 2HB LYS 31 6.942 4.895 -12.660 231 HB3 LYS 31 3HB LYS 31 8.100 4.225 -11.518 232 HG2 LYS 31 2HG LYS 31 8.538 2.901 -13.307 233 HG3 LYS 31 3HG LYS 31 7.259 1.944 -12.558 234 HD2 LYS 31 2HD LYS 31 5.896 2.239 -14.303 235 HD3 LYS 31 3HD LYS 31 6.203 3.976 -14.343 236 HE2 LYS 31 2HE LYS 31 7.658 3.778 -16.026 237 HE3 LYS 31 3HE LYS 31 8.479 2.418 -15.262 238 HZ1 LYS 31 3HZ LYS 31 7.620 1.362 -17.053 239 HZ2 LYS 31 1HZ LYS 31 6.311 2.422 -17.214 240 HZ3 LYS 31 2HZ LYS 31 6.276 1.207 -16.037 241 H GLU 32 H GLU 32 6.618 3.667 -8.632 242 HA GLU 32 HA GLU 32 5.186 5.783 -7.599 243 HB2 GLU 32 2HB GLU 32 6.529 5.628 -5.664 244 HB3 GLU 32 3HB GLU 32 6.508 4.007 -6.344 245 HG2 GLU 32 2HG GLU 32 8.707 5.116 -7.536 246 HG3 GLU 32 3HG GLU 32 8.734 5.839 -5.929 247 H TYR 33 H TYR 33 5.566 7.947 -7.230 248 HA TYR 33 HA TYR 33 7.906 9.115 -8.584 249 HB2 TYR 33 2HB TYR 33 5.011 9.877 -8.782 250 HB3 TYR 33 3HB TYR 33 6.261 11.096 -9.013 251 HD1 TYR 33 HD1 TYR 33 7.940 10.781 -10.859 252 HD2 TYR 33 HD2 TYR 33 4.476 8.338 -10.494 253 HE1 TYR 33 HE1 TYR 33 8.193 10.083 -13.204 254 HE2 TYR 33 HE2 TYR 33 4.720 7.633 -12.837 255 HH TYR 33 HH TYR 33 7.490 8.648 -14.784 256 H ASN 34 H ASN 34 9.160 9.927 -7.041 257 HA ASN 34 HA ASN 34 8.118 10.815 -4.518 258 HB2 ASN 34 2HB ASN 34 10.919 11.364 -5.447 259 HB3 ASN 34 3HB ASN 34 10.340 11.007 -3.823 260 HD21 ASN 34 1HD2 ASN 34 12.432 9.795 -5.594 261 HD22 ASN 34 2HD2 ASN 34 12.074 8.105 -5.594 262 H GLN 35 H GLN 35 8.906 12.989 -3.637 263 HA GLN 35 HA GLN 35 7.692 15.052 -5.103 264 HB2 GLN 35 2HB GLN 35 8.296 16.487 -3.339 265 HB3 GLN 35 3HB GLN 35 8.089 14.913 -2.583 266 HG2 GLN 35 2HG GLN 35 10.713 16.170 -3.354 267 HG3 GLN 35 3HG GLN 35 10.049 16.065 -1.725 268 HE21 GLN 35 1HE2 GLN 35 9.158 13.562 -1.522 269 HE22 GLN 35 2HE2 GLN 35 10.441 12.423 -1.726 270 H GLY 36 H GLY 36 8.485 16.704 -6.350 271 HA2 GLY 36 2HA GLY 36 10.159 18.034 -7.343 272 HA3 GLY 36 3HA GLY 36 11.369 16.886 -6.789 273 H ASP 37 H ASP 37 9.626 14.656 -7.861 274 HA ASP 37 HA ASP 37 10.931 14.246 -10.280 275 HB2 ASP 37 2HB ASP 37 8.383 13.083 -9.162 276 HB3 ASP 37 3HB ASP 37 9.061 12.553 -10.698 277 H ILE 38 H ILE 38 10.611 14.902 -12.314 278 HA ILE 38 HA ILE 38 8.085 16.285 -12.941 279 HB ILE 38 HB ILE 38 10.847 17.009 -13.924 280 HG12 ILE 38 2HG1 ILE 38 9.456 19.159 -12.660 281 HG13 ILE 38 3HG1 ILE 38 9.407 17.765 -11.587 282 HG21 ILE 38 1HG2 ILE 38 8.150 17.688 -14.864 283 HG22 ILE 38 2HG2 ILE 38 9.237 19.061 -14.656 284 HG23 ILE 38 3HG2 ILE 38 9.694 17.727 -15.715 285 HD11 ILE 38 3HD1 ILE 38 11.869 17.583 -11.807 286 HD12 ILE 38 1HD1 ILE 38 11.852 19.080 -12.739 287 HD13 ILE 38 2HD1 ILE 38 11.324 19.083 -11.056 288 H VAL 39 H VAL 39 7.090 15.767 -14.818 289 HA VAL 39 HA VAL 39 8.520 14.139 -16.788 290 HB VAL 39 HB VAL 39 6.837 12.458 -16.912 291 HG11 VAL 39 1HG1 VAL 39 7.579 13.011 -14.044 292 HG12 VAL 39 2HG1 VAL 39 6.899 11.489 -14.622 293 HG13 VAL 39 3HG1 VAL 39 8.472 12.033 -15.206 294 HG21 VAL 39 3HG2 VAL 39 4.748 13.244 -16.587 295 HG22 VAL 39 1HG2 VAL 39 5.022 12.710 -14.929 296 HG23 VAL 39 2HG2 VAL 39 5.261 14.403 -15.362 297 H GLU 40 H GLU 40 7.324 13.939 -18.841 298 HA GLU 40 HA GLU 40 5.771 16.381 -19.351 299 HB2 GLU 40 2HB GLU 40 7.759 16.302 -20.681 300 HB3 GLU 40 3HB GLU 40 7.438 14.643 -21.168 301 HG2 GLU 40 2HG GLU 40 5.420 16.709 -21.849 302 HG3 GLU 40 3HG GLU 40 6.933 16.690 -22.753 303 H TYR 41 H TYR 41 3.653 16.005 -19.274 304 HA TYR 41 HA TYR 41 2.620 13.612 -20.648 305 HB2 TYR 41 2HB TYR 41 2.219 13.263 -18.328 306 HB3 TYR 41 3HB TYR 41 1.671 14.919 -18.100 307 HD1 TYR 41 HD1 TYR 41 -0.543 15.617 -19.006 308 HD2 TYR 41 HD2 TYR 41 0.725 11.555 -19.043 309 HE1 TYR 41 HE1 TYR 41 -2.869 14.901 -19.362 310 HE2 TYR 41 HE2 TYR 41 -1.597 10.828 -19.400 311 HH TYR 41 HH TYR 41 -3.830 12.290 -20.539 312 H ASN 42 H ASN 42 1.304 14.004 -22.297 313 HA ASN 42 HA ASN 42 0.004 15.102 -23.808 314 HB2 ASN 42 2HB ASN 42 -1.535 15.042 -21.803 315 HB3 ASN 42 3HB ASN 42 -1.018 16.688 -21.447 316 HD21 ASN 42 1HD2 ASN 42 -3.541 16.606 -21.726 317 HD22 ASN 42 2HD2 ASN 42 -4.094 17.110 -23.283 318 H GLY 43 H GLY 43 2.653 16.168 -23.196 319 HA2 GLY 43 2HA GLY 43 3.889 17.915 -24.075 320 HA3 GLY 43 3HA GLY 43 2.386 18.671 -24.585 321 H LYS 44 H LYS 44 2.486 17.768 -21.300 322 HA LYS 44 HA LYS 44 3.105 20.548 -20.535 323 HB2 LYS 44 2HB LYS 44 0.921 18.705 -19.669 324 HB3 LYS 44 3HB LYS 44 1.566 19.848 -18.497 325 HG2 LYS 44 2HG LYS 44 0.650 21.634 -19.531 326 HG3 LYS 44 3HG LYS 44 0.853 20.946 -21.143 327 HD2 LYS 44 2HD LYS 44 -0.982 19.254 -20.038 328 HD3 LYS 44 3HD LYS 44 -1.420 20.794 -19.295 329 HE2 LYS 44 2HE LYS 44 -2.577 21.168 -21.173 330 HE3 LYS 44 3HE LYS 44 -1.010 21.497 -21.910 331 HZ1 LYS 44 3HZ LYS 44 -1.271 18.774 -22.011 332 HZ2 LYS 44 1HZ LYS 44 -1.481 19.850 -23.299 333 HZ3 LYS 44 2HZ LYS 44 -2.816 19.345 -22.394 334 H LEU 45 H LEU 45 4.325 20.889 -18.690 335 HA LEU 45 HA LEU 45 5.748 18.517 -17.701 336 HB2 LEU 45 2HB LEU 45 6.491 21.367 -18.095 337 HB3 LEU 45 3HB LEU 45 7.274 20.479 -16.791 338 HG LEU 45 HG LEU 45 7.341 19.754 -19.719 339 HD11 LEU 45 1HD1 LEU 45 9.314 20.812 -19.895 340 HD12 LEU 45 2HD1 LEU 45 9.812 20.379 -18.261 341 HD13 LEU 45 3HD1 LEU 45 8.727 21.744 -18.518 342 HD21 LEU 45 3HD2 LEU 45 7.436 17.738 -18.476 343 HD22 LEU 45 1HD2 LEU 45 8.524 18.444 -17.282 344 HD23 LEU 45 2HD2 LEU 45 9.097 18.133 -18.921 345 H TYR 46 H TYR 46 4.966 17.770 -15.847 346 HA TYR 46 HA TYR 46 4.014 19.702 -13.839 347 HB2 TYR 46 2HB TYR 46 3.285 16.788 -14.191 348 HB3 TYR 46 3HB TYR 46 2.692 17.831 -12.904 349 HD1 TYR 46 HD2 TYR 46 1.246 19.803 -13.507 350 HD2 TYR 46 HD1 TYR 46 2.262 16.776 -16.321 351 HE1 TYR 46 HE2 TYR 46 -0.621 20.517 -14.941 352 HE2 TYR 46 HE1 TYR 46 0.398 17.483 -17.762 353 HH TYR 46 HH TYR 46 -1.700 20.203 -16.851 354 H LYS 47 H LYS 47 4.463 19.239 -11.603 355 HA LYS 47 HA LYS 47 6.776 17.479 -11.163 356 HB2 LYS 47 2HB LYS 47 7.721 19.671 -11.304 357 HB3 LYS 47 3HB LYS 47 6.462 20.347 -10.279 358 HG2 LYS 47 2HG LYS 47 7.442 19.637 -8.364 359 HG3 LYS 47 3HG LYS 47 8.124 18.193 -9.116 360 HD2 LYS 47 2HD LYS 47 10.074 19.295 -9.033 361 HD3 LYS 47 3HD LYS 47 9.453 20.208 -10.410 362 HE2 LYS 47 2HE LYS 47 9.957 21.956 -9.049 363 HE3 LYS 47 3HE LYS 47 8.333 21.622 -8.449 364 HZ1 LYS 47 3HZ LYS 47 10.852 20.603 -7.249 365 HZ2 LYS 47 1HZ LYS 47 9.290 20.312 -6.668 366 HZ3 LYS 47 2HZ LYS 47 9.922 21.881 -6.644 367 H ALA 48 H ALA 48 6.307 16.023 -9.665 368 HA ALA 48 HA ALA 48 3.994 16.083 -8.072 369 HB1 ALA 48 1HB ALA 48 4.529 13.943 -7.861 370 HB2 ALA 48 2HB ALA 48 6.093 14.256 -8.615 371 HB3 ALA 48 3HB ALA 48 5.917 14.377 -6.864 372 H LYS 49 H LYS 49 3.586 17.372 -6.410 373 HA LYS 49 HA LYS 49 5.478 18.956 -5.089 374 HB2 LYS 49 2HB LYS 49 2.840 18.101 -3.905 375 HB3 LYS 49 3HB LYS 49 3.721 19.596 -3.614 376 HG2 LYS 49 2HG LYS 49 3.365 20.039 -6.125 377 HG3 LYS 49 3HG LYS 49 2.127 18.785 -6.012 378 HD2 LYS 49 2HD LYS 49 0.708 20.125 -4.899 379 HD3 LYS 49 3HD LYS 49 1.989 20.795 -3.887 380 HE2 LYS 49 2HE LYS 49 2.698 22.086 -5.989 381 HE3 LYS 49 3HE LYS 49 1.117 21.646 -6.631 382 HZ1 LYS 49 3HZ LYS 49 1.650 23.818 -5.098 383 HZ2 LYS 49 1HZ LYS 49 0.994 22.732 -3.978 384 HZ3 LYS 49 2HZ LYS 49 0.115 23.155 -5.359 385 H TYR 50 H TYR 50 3.902 15.940 -4.058 386 HA TYR 50 HA TYR 50 6.195 15.400 -2.326 387 HB2 TYR 50 2HB TYR 50 4.884 14.938 -0.395 388 HB3 TYR 50 3HB TYR 50 4.354 16.510 -0.985 389 HD1 TYR 50 HD1 TYR 50 2.334 16.318 -2.761 390 HD2 TYR 50 HD2 TYR 50 3.238 13.477 0.275 391 HE1 TYR 50 HE1 TYR 50 0.011 15.513 -2.830 392 HE2 TYR 50 HE2 TYR 50 0.917 12.663 0.212 393 HH TYR 50 HH TYR 50 -1.281 13.419 -0.454 394 H TRP 51 H TRP 51 5.921 13.107 -1.347 395 HA TRP 51 HA TRP 51 5.986 11.233 -3.356 396 HB2 TRP 51 2HB TRP 51 6.516 11.150 -0.722 397 HB3 TRP 51 3HB TRP 51 4.984 10.281 -0.728 398 HD1 TRP 51 HD1 TRP 51 8.448 10.080 -2.461 399 HE1 TRP 51 HE1 TRP 51 8.954 7.600 -2.933 400 HE3 TRP 51 HE3 TRP 51 4.047 8.034 -0.855 401 HZ2 TRP 51 HZ2 TRP 51 7.658 5.108 -2.662 402 HZ3 TRP 51 HZ3 TRP 51 3.759 5.594 -0.996 403 HH2 TRP 51 HH2 TRP 51 5.529 4.163 -1.881 404 H THR 52 H THR 52 4.455 10.666 -4.743 405 HA THR 52 HA THR 52 1.910 9.705 -3.821 406 HB THR 52 HB THR 52 1.856 12.073 -5.694 407 HG1 THR 52 HG1 THR 52 0.748 12.931 -3.624 408 HG21 THR 52 3HG2 THR 52 -0.122 11.031 -6.125 409 HG22 THR 52 1HG2 THR 52 -0.613 11.910 -4.679 410 HG23 THR 52 2HG2 THR 52 -0.157 10.211 -4.566 411 H THR 53 H THR 53 0.736 8.581 -5.441 412 HA THR 53 HA THR 53 2.198 8.159 -7.963 413 HB THR 53 HB THR 53 1.684 5.777 -7.883 414 HG1 THR 53 HG1 THR 53 0.574 6.370 -5.323 415 HG21 THR 53 3HG2 THR 53 2.906 6.400 -5.217 416 HG22 THR 53 1HG2 THR 53 3.738 6.829 -6.710 417 HG23 THR 53 2HG2 THR 53 3.344 5.144 -6.374 418 H SER 54 H SER 54 0.914 9.010 -9.476 419 HA SER 54 HA SER 54 -1.488 7.853 -10.253 420 HB2 SER 54 2HB SER 54 -2.834 8.684 -8.604 421 HB3 SER 54 3HB SER 54 -1.766 10.048 -8.273 422 HG SER 54 HG SER 54 -3.929 10.378 -9.393 423 HA PRO 55 HA PRO 55 -0.565 10.213 -13.838 424 HB2 PRO 55 2HB PRO 55 -2.994 10.276 -15.049 425 HB3 PRO 55 3HB PRO 55 -1.998 8.818 -14.970 426 HG2 PRO 55 2HG PRO 55 -4.327 9.615 -13.268 427 HG3 PRO 55 3HG PRO 55 -3.946 8.033 -13.972 428 HD2 PRO 55 2HD PRO 55 -3.441 8.634 -11.381 429 HD3 PRO 55 3HD PRO 55 -2.422 7.525 -12.321 430 HA PRO 56 HA PRO 56 -1.523 14.445 -13.049 431 HB2 PRO 56 2HB PRO 56 -0.987 15.487 -15.497 432 HB3 PRO 56 3HB PRO 56 0.277 14.950 -14.385 433 HG2 PRO 56 2HG PRO 56 -0.905 13.528 -16.740 434 HG3 PRO 56 3HG PRO 56 0.793 13.651 -16.244 435 HD2 PRO 56 2HD PRO 56 -0.716 11.459 -15.740 436 HD3 PRO 56 3HD PRO 56 0.580 11.998 -14.651 437 H SER 57 H SER 57 -3.348 15.607 -13.013 438 HA SER 57 HA SER 57 -5.034 16.138 -15.164 439 HB2 SER 57 2HB SER 57 -5.855 13.973 -15.329 440 HB3 SER 57 3HB SER 57 -5.726 13.682 -13.594 441 HG SER 57 HG SER 57 -7.620 14.608 -13.278 442 H ASP 58 H ASP 58 -5.786 15.134 -11.828 443 HA ASP 58 HA ASP 58 -6.320 17.932 -11.144 444 HB2 ASP 58 2HB ASP 58 -8.386 16.231 -11.770 445 HB3 ASP 58 3HB ASP 58 -8.291 16.071 -10.019 446 H ASP 59 H ASP 59 -5.145 18.381 -9.415 447 HA ASP 59 HA ASP 59 -4.630 16.243 -7.458 448 HB2 ASP 59 2HB ASP 59 -2.770 18.021 -6.784 449 HB3 ASP 59 3HB ASP 59 -2.510 16.856 -8.080 450 HA PRO 60 HA PRO 60 -7.455 19.148 -5.273 451 HB2 PRO 60 2HB PRO 60 -8.724 17.197 -3.875 452 HB3 PRO 60 3HB PRO 60 -9.191 17.661 -5.515 453 HG2 PRO 60 2HG PRO 60 -7.515 15.355 -4.606 454 HG3 PRO 60 3HG PRO 60 -8.792 15.394 -5.836 455 HD2 PRO 60 2HD PRO 60 -6.159 15.448 -6.467 456 HD3 PRO 60 3HD PRO 60 -7.391 16.274 -7.442 457 H TYR 61 H TYR 61 -5.043 16.904 -4.374 458 HA TYR 61 HA TYR 61 -5.047 17.920 -1.608 459 HB2 TYR 61 2HB TYR 61 -3.367 15.788 -1.511 460 HB3 TYR 61 3HB TYR 61 -5.090 15.704 -1.155 461 HD1 TYR 61 HD2 TYR 61 -2.605 15.239 -3.877 462 HD2 TYR 61 HD1 TYR 61 -6.510 14.348 -2.441 463 HE1 TYR 61 HE2 TYR 61 -2.891 13.601 -5.690 464 HE2 TYR 61 HE1 TYR 61 -6.807 12.707 -4.249 465 HH TYR 61 HH TYR 61 -4.688 12.501 -6.911 466 H GLY 62 H GLY 62 -3.557 18.295 -4.530 467 HA2 GLY 62 2HA GLY 62 -1.722 19.620 -5.045 468 HA3 GLY 62 3HA GLY 62 -1.334 19.694 -3.332 469 H SER 63 H SER 63 -1.653 16.975 -5.610 470 HA SER 63 HA SER 63 0.856 15.892 -4.596 471 HB2 SER 63 2HB SER 63 -0.757 14.202 -4.711 472 HB3 SER 63 3HB SER 63 -1.398 14.784 -6.247 473 HG SER 63 HG SER 63 -0.164 13.285 -7.054 474 H TRP 64 H TRP 64 -0.242 17.770 -7.176 475 HA TRP 64 HA TRP 64 2.308 17.379 -8.571 476 HB2 TRP 64 2HB TRP 64 -0.443 17.176 -9.745 477 HB3 TRP 64 3HB TRP 64 0.885 17.779 -10.733 478 HD1 TRP 64 HD1 TRP 64 -0.670 14.611 -9.525 479 HE1 TRP 64 HE1 TRP 64 0.730 12.592 -10.294 480 HE3 TRP 64 HE3 TRP 64 3.506 17.085 -11.130 481 HZ2 TRP 64 HZ2 TRP 64 3.269 12.113 -11.430 482 HZ3 TRP 64 HZ3 TRP 64 5.376 15.772 -12.043 483 HH2 TRP 64 HH2 TRP 64 5.258 13.337 -12.189 484 H GLU 65 H GLU 65 2.900 19.192 -9.960 485 HA GLU 65 HA GLU 65 1.453 21.682 -9.501 486 HB2 GLU 65 2HB GLU 65 3.288 21.257 -7.708 487 HB3 GLU 65 3HB GLU 65 4.413 21.643 -9.003 488 HG2 GLU 65 2HG GLU 65 3.153 23.800 -9.302 489 HG3 GLU 65 3HG GLU 65 2.302 23.413 -7.808 490 H TYR 66 H TYR 66 1.140 22.449 -11.477 491 HA TYR 66 HA TYR 66 2.760 21.735 -13.706 492 HB2 TYR 66 2HB TYR 66 0.500 22.162 -14.207 493 HB3 TYR 66 3HB TYR 66 0.494 23.675 -13.309 494 HD1 TYR 66 HD1 TYR 66 1.383 25.712 -14.291 495 HD2 TYR 66 HD2 TYR 66 1.396 22.055 -16.464 496 HE1 TYR 66 HE1 TYR 66 1.837 26.953 -16.366 497 HE2 TYR 66 HE2 TYR 66 1.850 23.285 -18.545 498 HH TYR 66 HH TYR 66 2.359 26.792 -18.532 499 H LEU 67 H LEU 67 4.742 22.492 -14.015 500 HA LEU 67 HA LEU 67 5.432 25.177 -13.084 501 HB2 LEU 67 2HB LEU 67 7.337 23.196 -14.282 502 HB3 LEU 67 3HB LEU 67 7.684 24.536 -13.190 503 HG LEU 67 HG LEU 67 6.209 22.023 -12.407 504 HD11 LEU 67 1HD1 LEU 67 8.266 21.121 -12.571 505 HD12 LEU 67 2HD1 LEU 67 8.521 21.945 -11.033 506 HD13 LEU 67 3HD1 LEU 67 9.075 22.688 -12.533 507 HD21 LEU 67 3HD2 LEU 67 5.520 23.575 -10.864 508 HD22 LEU 67 1HD2 LEU 67 7.005 24.520 -10.988 509 HD23 LEU 67 2HD2 LEU 67 7.002 22.992 -10.104 510 H GLY 68 H GLY 68 4.650 23.488 -15.940 511 HA2 GLY 68 2HA GLY 68 4.429 25.621 -17.612 512 HA3 GLY 68 3HA GLY 68 6.123 25.177 -17.751 513 H GLU 69 H GLU 69 5.288 24.922 -20.047 514 HA GLU 69 HA GLU 69 4.101 22.256 -20.424 515 HB2 GLU 69 2HB GLU 69 3.499 24.749 -21.604 516 HB3 GLU 69 3HB GLU 69 4.258 23.778 -22.858 517 HG2 GLU 69 2HG GLU 69 2.316 22.785 -23.194 518 HG3 GLU 69 3HG GLU 69 2.440 22.077 -21.585 519 H ALA 70 H ALA 70 4.952 20.906 -22.114 520 HA ALA 70 HA ALA 70 7.680 20.510 -22.037 521 HB1 ALA 70 1HB ALA 70 5.580 19.654 -23.993 522 HB2 ALA 70 2HB ALA 70 7.274 19.228 -24.237 523 HB3 ALA 70 3HB ALA 70 6.432 18.697 -22.782 524 H GLU 71 H GLU 71 5.808 22.145 -24.587 525 HA GLU 71 HA GLU 71 8.332 23.315 -25.560 526 HB2 GLU 71 2HB GLU 71 5.934 22.274 -26.963 527 HB3 GLU 71 3HB GLU 71 6.670 23.722 -27.635 528 HG2 GLU 71 2HG GLU 71 8.613 21.655 -26.988 529 HG3 GLU 71 3HG GLU 71 7.409 21.135 -28.166 530 HA PRO 72 HA PRO 72 6.362 27.000 -23.872 531 HB2 PRO 72 2HB PRO 72 8.605 28.525 -24.002 532 HB3 PRO 72 3HB PRO 72 8.305 27.365 -22.702 533 HG2 PRO 72 2HG PRO 72 9.994 27.065 -25.155 534 HG3 PRO 72 3HG PRO 72 10.345 26.573 -23.488 535 HD2 PRO 72 2HD PRO 72 9.495 24.826 -25.373 536 HD3 PRO 72 3HD PRO 72 9.083 24.652 -23.655 537 H THR 73 H THR 73 5.393 28.659 -24.902 538 HA THR 73 HA THR 73 5.827 28.942 -27.754 539 HB THR 73 HB THR 73 3.531 28.869 -27.022 540 HG1 THR 73 HG1 THR 73 3.829 30.235 -28.768 541 HG21 THR 73 3HG2 THR 73 4.500 30.733 -24.992 542 HG22 THR 73 1HG2 THR 73 3.114 29.644 -24.957 543 HG23 THR 73 2HG2 THR 73 2.973 31.226 -25.723 Start of MODEL 12 1 H1 GLY 1 H GLY 1 31.654 0.964 -1.067 2 HA2 GLY 1 2HA GLY 1 32.781 2.602 -2.476 3 HA3 GLY 1 3HA GLY 1 31.385 2.552 -3.542 4 HA PRO 2 HA PRO 2 31.088 6.140 -0.512 5 HB2 PRO 2 2HB PRO 2 31.092 8.114 -2.376 6 HB3 PRO 2 3HB PRO 2 32.571 7.480 -1.646 7 HG2 PRO 2 2HG PRO 2 31.337 6.828 -4.294 8 HG3 PRO 2 3HG PRO 2 33.041 7.115 -3.893 9 HD2 PRO 2 2HD PRO 2 32.017 4.628 -4.207 10 HD3 PRO 2 3HD PRO 2 33.337 4.980 -3.075 11 H SER 3 H SER 3 29.339 7.781 -0.463 12 HA SER 3 HA SER 3 26.955 6.771 -1.860 13 HB2 SER 3 2HB SER 3 25.972 8.356 0.139 14 HB3 SER 3 3HB SER 3 26.218 6.616 0.275 15 HG SER 3 HG SER 3 27.572 8.683 1.468 16 H THR 4 H THR 4 25.205 8.558 -2.048 17 HA THR 4 HA THR 4 26.435 11.091 -2.897 18 HB THR 4 HB THR 4 24.184 10.437 -4.579 19 HG1 THR 4 HG1 THR 4 26.381 8.616 -4.645 20 HG21 THR 4 3HG2 THR 4 26.873 10.523 -5.754 21 HG22 THR 4 1HG2 THR 4 26.470 11.914 -4.749 22 HG23 THR 4 2HG2 THR 4 25.445 11.489 -6.121 23 H SER 5 H SER 5 24.907 12.879 -3.078 24 HA SER 5 HA SER 5 22.767 12.624 -1.085 25 HB2 SER 5 2HB SER 5 24.780 14.458 -1.227 26 HB3 SER 5 3HB SER 5 23.480 15.320 -2.050 27 HG SER 5 HG SER 5 23.063 15.787 0.001 28 H MET 6 H MET 6 20.804 12.316 -1.889 29 HA MET 6 HA MET 6 19.634 14.110 -3.745 30 HB2 MET 6 2HB MET 6 20.832 12.915 -5.434 31 HB3 MET 6 3HB MET 6 20.378 11.362 -4.746 32 HG2 MET 6 2HG MET 6 18.220 11.484 -5.558 33 HG3 MET 6 3HG MET 6 18.274 13.237 -5.724 34 HE1 MET 6 3HE MET 6 18.986 9.797 -7.839 35 HE2 MET 6 1HE MET 6 20.584 10.315 -8.377 36 HE3 MET 6 2HE MET 6 20.238 10.170 -6.653 37 H GLU 7 H GLU 7 17.404 13.936 -3.792 38 HA GLU 7 HA GLU 7 16.254 11.772 -2.156 39 HB2 GLU 7 2HB GLU 7 15.872 14.713 -2.035 40 HB3 GLU 7 3HB GLU 7 14.443 13.719 -1.798 41 HG2 GLU 7 2HG GLU 7 16.280 12.500 -0.179 42 HG3 GLU 7 3HG GLU 7 16.704 14.204 -0.028 43 H ASN 8 H ASN 8 16.399 13.115 -5.174 44 HA ASN 8 HA ASN 8 13.840 11.884 -5.923 45 HB2 ASN 8 2HB ASN 8 14.867 14.518 -7.004 46 HB3 ASN 8 3HB ASN 8 13.393 13.695 -7.510 47 HD21 ASN 8 1HD2 ASN 8 13.741 16.349 -6.377 48 HD22 ASN 8 2HD2 ASN 8 12.777 16.391 -4.943 49 H LEU 9 H LEU 9 14.512 10.139 -7.016 50 HA LEU 9 HA LEU 9 16.808 10.318 -8.799 51 HB2 LEU 9 2HB LEU 9 16.640 7.918 -8.977 52 HB3 LEU 9 3HB LEU 9 16.604 8.404 -7.283 53 HG LEU 9 HG LEU 9 13.953 8.074 -8.489 54 HD11 LEU 9 1HD1 LEU 9 15.135 6.301 -9.682 55 HD12 LEU 9 2HD1 LEU 9 14.019 5.640 -8.489 56 HD13 LEU 9 3HD1 LEU 9 15.749 5.676 -8.151 57 HD21 LEU 9 3HD2 LEU 9 14.846 8.325 -6.000 58 HD22 LEU 9 1HD2 LEU 9 14.913 6.567 -6.122 59 HD23 LEU 9 2HD2 LEU 9 13.388 7.411 -6.389 60 H VAL 10 H VAL 10 13.906 11.386 -9.203 61 HA VAL 10 HA VAL 10 12.622 10.086 -11.264 62 HB VAL 10 HB VAL 10 11.802 12.138 -10.081 63 HG11 VAL 10 1HG1 VAL 10 12.660 14.205 -10.415 64 HG12 VAL 10 2HG1 VAL 10 14.120 13.287 -10.786 65 HG13 VAL 10 3HG1 VAL 10 13.090 13.876 -12.092 66 HG21 VAL 10 3HG2 VAL 10 10.584 13.018 -12.011 67 HG22 VAL 10 1HG2 VAL 10 11.721 12.217 -13.095 68 HG23 VAL 10 2HG2 VAL 10 10.668 11.256 -12.057 69 H SER 11 H SER 11 15.541 11.993 -11.363 70 HA SER 11 HA SER 11 15.610 12.340 -14.192 71 HB2 SER 11 2HB SER 11 17.580 12.704 -11.962 72 HB3 SER 11 3HB SER 11 18.145 12.733 -13.633 73 HG SER 11 HG SER 11 16.689 14.592 -12.236 74 H LEU 12 H LEU 12 17.037 10.008 -11.950 75 HA LEU 12 HA LEU 12 18.151 8.503 -14.199 76 HB2 LEU 12 2HB LEU 12 18.580 8.470 -11.240 77 HB3 LEU 12 3HB LEU 12 19.038 7.075 -12.215 78 HG LEU 12 HG LEU 12 20.475 8.647 -13.572 79 HD11 LEU 12 1HD1 LEU 12 19.625 10.774 -13.094 80 HD12 LEU 12 2HD1 LEU 12 21.163 10.708 -12.236 81 HD13 LEU 12 3HD1 LEU 12 19.652 10.493 -11.353 82 HD21 LEU 12 3HD2 LEU 12 21.719 7.300 -12.192 83 HD22 LEU 12 1HD2 LEU 12 20.944 7.898 -10.726 84 HD23 LEU 12 2HD2 LEU 12 22.140 8.892 -11.558 85 H GLN 13 H GLN 13 15.240 8.678 -13.436 86 HA GLN 13 HA GLN 13 14.548 6.060 -12.475 87 HB2 GLN 13 2HB GLN 13 13.114 8.520 -13.241 88 HB3 GLN 13 3HB GLN 13 12.238 7.024 -13.542 89 HG2 GLN 13 2HG GLN 13 12.652 6.391 -11.167 90 HG3 GLN 13 3HG GLN 13 13.329 7.999 -10.915 91 HE21 GLN 13 1HE2 GLN 13 11.705 8.391 -9.361 92 HE22 GLN 13 2HE2 GLN 13 10.093 8.786 -9.835 93 H ASN 14 H ASN 14 13.928 7.733 -15.568 94 HA ASN 14 HA ASN 14 14.813 5.655 -17.211 95 HB2 ASN 14 2HB ASN 14 12.436 4.986 -18.033 96 HB3 ASN 14 3HB ASN 14 13.086 4.220 -16.587 97 HD21 ASN 14 1HD2 ASN 14 12.026 4.425 -14.712 98 HD22 ASN 14 2HD2 ASN 14 10.600 5.374 -14.486 99 H LEU 15 H LEU 15 15.554 7.105 -18.650 100 HA LEU 15 HA LEU 15 13.596 8.948 -19.857 101 HB2 LEU 15 2HB LEU 15 15.308 10.541 -20.212 102 HB3 LEU 15 3HB LEU 15 15.431 10.018 -18.533 103 HG LEU 15 HG LEU 15 17.214 8.352 -19.693 104 HD11 LEU 15 1HD1 LEU 15 17.712 10.925 -21.136 105 HD12 LEU 15 2HD1 LEU 15 16.725 9.660 -21.866 106 HD13 LEU 15 3HD1 LEU 15 18.400 9.327 -21.427 107 HD21 LEU 15 3HD2 LEU 15 17.859 9.504 -17.785 108 HD22 LEU 15 1HD2 LEU 15 17.491 11.079 -18.489 109 HD23 LEU 15 2HD2 LEU 15 18.913 10.183 -19.027 110 H LEU 16 H LEU 16 13.315 8.868 -22.009 111 HA LEU 16 HA LEU 16 15.175 7.202 -23.573 112 HB2 LEU 16 2HB LEU 16 12.191 7.435 -23.928 113 HB3 LEU 16 3HB LEU 16 13.278 6.477 -24.931 114 HG LEU 16 HG LEU 16 12.758 5.981 -22.001 115 HD11 LEU 16 1HD1 LEU 16 11.745 3.840 -23.284 116 HD12 LEU 16 2HD1 LEU 16 11.366 5.112 -24.444 117 HD13 LEU 16 3HD1 LEU 16 10.786 5.233 -22.784 118 HD21 LEU 16 3HD2 LEU 16 14.979 5.275 -22.969 119 HD22 LEU 16 1HD2 LEU 16 14.078 4.180 -24.018 120 HD23 LEU 16 2HD2 LEU 16 14.002 3.986 -22.266 121 H VAL 17 H VAL 17 14.900 10.176 -23.105 122 HA VAL 17 HA VAL 17 14.292 11.092 -25.821 123 HB VAL 17 HB VAL 17 14.422 13.361 -24.909 124 HG11 VAL 17 1HG1 VAL 17 12.249 12.581 -24.817 125 HG12 VAL 17 2HG1 VAL 17 12.633 11.349 -23.613 126 HG13 VAL 17 3HG1 VAL 17 12.542 13.047 -23.140 127 HG21 VAL 17 3HG2 VAL 17 15.824 13.597 -23.168 128 HG22 VAL 17 1HG2 VAL 17 14.412 13.179 -22.198 129 HG23 VAL 17 2HG2 VAL 17 15.587 11.935 -22.624 130 H TYR 18 H TYR 18 15.790 12.960 -26.555 131 HA TYR 18 HA TYR 18 18.545 12.769 -25.764 132 HB2 TYR 18 2HB TYR 18 17.551 11.380 -28.207 133 HB3 TYR 18 3HB TYR 18 19.100 12.209 -28.306 134 HD1 TYR 18 HD1 TYR 18 20.848 11.619 -26.491 135 HD2 TYR 18 HD2 TYR 18 17.443 9.217 -27.352 136 HE1 TYR 18 HE1 TYR 18 21.954 9.687 -25.447 137 HE2 TYR 18 HE2 TYR 18 18.539 7.279 -26.309 138 HH TYR 18 HH TYR 18 21.870 7.456 -25.148 139 H VAL 19 H VAL 19 19.392 14.726 -25.988 140 HA VAL 19 HA VAL 19 19.819 16.835 -26.738 141 HB VAL 19 HB VAL 19 18.344 16.099 -29.264 142 HG11 VAL 19 1HG1 VAL 19 18.756 18.286 -29.612 143 HG12 VAL 19 2HG1 VAL 19 20.025 18.350 -28.388 144 HG13 VAL 19 3HG1 VAL 19 20.380 17.716 -29.994 145 HG21 VAL 19 3HG2 VAL 19 20.709 15.589 -30.096 146 HG22 VAL 19 1HG2 VAL 19 21.147 15.473 -28.391 147 HG23 VAL 19 2HG2 VAL 19 19.933 14.386 -29.065 148 H ASN 20 H ASN 20 18.856 18.787 -26.453 149 HA ASN 20 HA ASN 20 17.242 20.332 -26.020 150 HB2 ASN 20 2HB ASN 20 16.481 19.400 -28.358 151 HB3 ASN 20 3HB ASN 20 15.170 18.688 -27.422 152 HD21 ASN 20 1HD2 ASN 20 14.214 20.275 -29.147 153 HD22 ASN 20 2HD2 ASN 20 13.825 21.841 -28.530 154 H TRP 21 H TRP 21 17.614 19.205 -23.842 155 HA TRP 21 HA TRP 21 15.177 19.052 -22.477 156 HB2 TRP 21 2HB TRP 21 14.663 16.848 -22.272 157 HB3 TRP 21 3HB TRP 21 15.514 16.729 -23.809 158 HD1 TRP 21 HD1 TRP 21 15.386 15.033 -20.639 159 HE1 TRP 21 HE1 TRP 21 17.550 13.729 -20.153 160 HE3 TRP 21 HE3 TRP 21 18.434 17.193 -24.127 161 HZ2 TRP 21 HZ2 TRP 21 20.201 13.630 -21.119 162 HZ3 TRP 21 HZ3 TRP 21 20.771 16.438 -24.282 163 HH2 TRP 21 HH2 TRP 21 21.634 14.693 -22.808 164 H SER 22 H SER 22 15.523 18.121 -20.181 165 HA SER 22 HA SER 22 18.293 18.321 -19.290 166 HB2 SER 22 2HB SER 22 17.012 20.618 -19.263 167 HB3 SER 22 3HB SER 22 16.264 19.956 -17.812 168 HG SER 22 HG SER 22 18.011 20.539 -16.823 169 H SER 23 H SER 23 17.690 16.007 -19.040 170 HA SER 23 HA SER 23 17.072 14.199 -17.795 171 HB2 SER 23 2HB SER 23 17.151 15.988 -15.377 172 HB3 SER 23 3HB SER 23 17.633 14.297 -15.515 173 HG SER 23 HG SER 23 19.148 16.455 -15.773 174 H TYR 24 H TYR 24 14.928 15.740 -18.882 175 HA TYR 24 HA TYR 24 12.856 15.380 -16.819 176 HB2 TYR 24 2HB TYR 24 12.921 17.202 -19.229 177 HB3 TYR 24 3HB TYR 24 11.482 16.932 -18.250 178 HD1 TYR 24 HD1 TYR 24 12.625 16.908 -15.528 179 HD2 TYR 24 HD2 TYR 24 13.477 19.434 -18.845 180 HE1 TYR 24 HE1 TYR 24 13.337 18.685 -13.984 181 HE2 TYR 24 HE2 TYR 24 14.193 21.217 -17.310 182 HH TYR 24 HH TYR 24 14.581 21.782 -15.197 183 HA PRO 25 HA PRO 25 12.186 12.053 -19.975 184 HB2 PRO 25 2HB PRO 25 11.619 10.125 -18.150 185 HB3 PRO 25 3HB PRO 25 13.267 10.510 -18.660 186 HG2 PRO 25 2HG PRO 25 11.793 11.377 -16.204 187 HG3 PRO 25 3HG PRO 25 13.469 10.823 -16.365 188 HD2 PRO 25 2HD PRO 25 12.814 13.442 -16.170 189 HD3 PRO 25 3HD PRO 25 14.209 12.874 -17.111 190 H LYS 26 H LYS 26 10.230 11.168 -20.646 191 HA LYS 26 HA LYS 26 7.890 12.565 -19.933 192 HB2 LYS 26 2HB LYS 26 7.411 11.760 -21.965 193 HB3 LYS 26 3HB LYS 26 8.660 10.529 -21.843 194 HG2 LYS 26 2HG LYS 26 7.131 9.068 -20.646 195 HG3 LYS 26 3HG LYS 26 5.877 10.309 -20.713 196 HD2 LYS 26 2HD LYS 26 5.261 9.070 -22.525 197 HD3 LYS 26 3HD LYS 26 6.402 10.166 -23.310 198 HE2 LYS 26 2HE LYS 26 7.164 8.158 -24.099 199 HE3 LYS 26 3HE LYS 26 8.135 8.301 -22.635 200 HZ1 LYS 26 3HZ LYS 26 7.108 6.570 -21.693 201 HZ2 LYS 26 1HZ LYS 26 6.629 6.170 -23.266 202 HZ3 LYS 26 2HZ LYS 26 5.576 7.022 -22.253 203 H TYR 27 H TYR 27 5.996 11.845 -18.886 204 HA TYR 27 HA TYR 27 6.301 10.612 -16.449 205 HB2 TYR 27 2HB TYR 27 4.182 11.292 -16.245 206 HB3 TYR 27 3HB TYR 27 4.149 11.656 -17.967 207 HD1 TYR 27 HD1 TYR 27 3.385 9.085 -15.431 208 HD2 TYR 27 HD2 TYR 27 2.973 10.257 -19.500 209 HE1 TYR 27 HE1 TYR 27 1.709 7.316 -15.764 210 HE2 TYR 27 HE2 TYR 27 1.294 8.492 -19.844 211 HH TYR 27 HH TYR 27 -0.352 7.051 -17.570 212 H GLU 28 H GLU 28 6.533 8.586 -15.763 213 HA GLU 28 HA GLU 28 6.040 6.408 -17.683 214 HB2 GLU 28 2HB GLU 28 8.412 7.029 -16.521 215 HB3 GLU 28 3HB GLU 28 7.777 5.874 -15.357 216 HG2 GLU 28 2HG GLU 28 7.305 4.624 -17.746 217 HG3 GLU 28 3HG GLU 28 8.836 5.448 -18.036 218 HA PRO 29 HA PRO 29 2.834 5.488 -14.649 219 HB2 PRO 29 2HB PRO 29 1.538 3.707 -16.238 220 HB3 PRO 29 3HB PRO 29 1.344 5.456 -16.398 221 HG2 PRO 29 2HG PRO 29 3.053 3.586 -17.993 222 HG3 PRO 29 3HG PRO 29 2.036 4.926 -18.554 223 HD2 PRO 29 2HD PRO 29 4.719 5.153 -18.273 224 HD3 PRO 29 3HD PRO 29 3.613 6.517 -18.012 225 H GLY 30 H GLY 30 3.088 4.073 -13.042 226 HA2 GLY 30 2HA GLY 30 3.109 1.789 -12.271 227 HA3 GLY 30 3HA GLY 30 4.065 1.368 -13.684 228 H LYS 31 H LYS 31 4.861 4.256 -11.969 229 HA LYS 31 HA LYS 31 6.932 2.917 -10.407 230 HB2 LYS 31 2HB LYS 31 8.215 3.323 -12.325 231 HB3 LYS 31 3HB LYS 31 7.432 4.866 -12.637 232 HG2 LYS 31 2HG LYS 31 8.719 5.988 -11.110 233 HG3 LYS 31 3HG LYS 31 9.027 4.542 -10.145 234 HD2 LYS 31 2HD LYS 31 10.128 4.057 -12.690 235 HD3 LYS 31 3HD LYS 31 10.609 5.694 -12.239 236 HE2 LYS 31 2HE LYS 31 12.294 4.271 -11.402 237 HE3 LYS 31 3HE LYS 31 11.314 4.727 -10.010 238 HZ1 LYS 31 3HZ LYS 31 10.085 2.579 -10.392 239 HZ2 LYS 31 1HZ LYS 31 11.673 2.428 -9.831 240 HZ3 LYS 31 2HZ LYS 31 11.322 2.147 -11.461 241 H GLU 32 H GLU 32 6.768 3.684 -8.415 242 HA GLU 32 HA GLU 32 5.229 5.782 -7.554 243 HB2 GLU 32 2HB GLU 32 6.567 5.751 -5.479 244 HB3 GLU 32 3HB GLU 32 6.133 4.136 -6.018 245 HG2 GLU 32 2HG GLU 32 8.547 4.473 -7.218 246 HG3 GLU 32 3HG GLU 32 8.763 5.383 -5.725 247 H TYR 33 H TYR 33 5.616 7.927 -6.939 248 HA TYR 33 HA TYR 33 8.080 9.141 -7.991 249 HB2 TYR 33 2HB TYR 33 5.238 10.044 -8.445 250 HB3 TYR 33 3HB TYR 33 6.618 11.113 -8.674 251 HD1 TYR 33 HD1 TYR 33 8.436 10.338 -10.327 252 HD2 TYR 33 HD2 TYR 33 4.531 8.653 -10.179 253 HE1 TYR 33 HE1 TYR 33 8.725 9.480 -12.615 254 HE2 TYR 33 HE2 TYR 33 4.811 7.790 -12.466 255 HH TYR 33 HH TYR 33 7.874 8.125 -14.195 256 H ASN 34 H ASN 34 9.120 9.914 -6.279 257 HA ASN 34 HA ASN 34 7.753 10.717 -3.883 258 HB2 ASN 34 2HB ASN 34 10.652 11.282 -4.428 259 HB3 ASN 34 3HB ASN 34 9.868 10.895 -2.900 260 HD21 ASN 34 1HD2 ASN 34 11.072 9.617 -5.909 261 HD22 ASN 34 2HD2 ASN 34 11.135 7.964 -5.410 262 H GLN 35 H GLN 35 8.024 12.828 -2.875 263 HA GLN 35 HA GLN 35 7.145 14.932 -4.427 264 HB2 GLN 35 2HB GLN 35 7.450 16.321 -2.549 265 HB3 GLN 35 3HB GLN 35 7.151 14.719 -1.885 266 HG2 GLN 35 2HG GLN 35 9.848 16.017 -2.203 267 HG3 GLN 35 3HG GLN 35 8.939 15.870 -0.700 268 HE21 GLN 35 1HE2 GLN 35 8.132 13.436 -0.467 269 HE22 GLN 35 2HE2 GLN 35 9.409 12.279 -0.582 270 H GLY 36 H GLY 36 8.065 16.487 -5.651 271 HA2 GLY 36 2HA GLY 36 9.843 17.931 -6.295 272 HA3 GLY 36 3HA GLY 36 10.983 16.799 -5.581 273 H ASP 37 H ASP 37 9.398 14.586 -6.971 274 HA ASP 37 HA ASP 37 11.091 14.265 -9.178 275 HB2 ASP 37 2HB ASP 37 8.481 12.963 -8.418 276 HB3 ASP 37 3HB ASP 37 9.363 12.505 -9.872 277 H ILE 38 H ILE 38 11.013 14.941 -11.229 278 HA ILE 38 HA ILE 38 8.546 16.269 -12.148 279 HB ILE 38 HB ILE 38 11.394 17.013 -12.828 280 HG12 ILE 38 2HG1 ILE 38 9.296 18.563 -11.295 281 HG13 ILE 38 3HG1 ILE 38 10.619 17.673 -10.550 282 HG21 ILE 38 1HG2 ILE 38 9.759 19.045 -13.694 283 HG22 ILE 38 2HG2 ILE 38 10.494 17.806 -14.710 284 HG23 ILE 38 3HG2 ILE 38 8.848 17.595 -14.114 285 HD11 ILE 38 3HD1 ILE 38 12.085 19.172 -12.121 286 HD12 ILE 38 1HD1 ILE 38 10.666 20.216 -12.080 287 HD13 ILE 38 2HD1 ILE 38 11.484 19.780 -10.579 288 H VAL 39 H VAL 39 7.787 15.776 -14.147 289 HA VAL 39 HA VAL 39 9.430 14.185 -15.961 290 HB VAL 39 HB VAL 39 7.812 12.443 -16.249 291 HG11 VAL 39 1HG1 VAL 39 9.422 12.178 -14.412 292 HG12 VAL 39 2HG1 VAL 39 8.249 12.883 -13.296 293 HG13 VAL 39 3HG1 VAL 39 7.902 11.345 -14.086 294 HG21 VAL 39 3HG2 VAL 39 5.694 13.264 -16.028 295 HG22 VAL 39 1HG2 VAL 39 5.865 12.492 -14.451 296 HG23 VAL 39 2HG2 VAL 39 6.097 14.232 -14.610 297 H GLU 40 H GLU 40 8.740 14.233 -18.124 298 HA GLU 40 HA GLU 40 7.138 16.555 -18.783 299 HB2 GLU 40 2HB GLU 40 9.231 16.175 -19.983 300 HB3 GLU 40 3HB GLU 40 8.645 14.616 -20.545 301 HG2 GLU 40 2HG GLU 40 6.919 16.897 -21.195 302 HG3 GLU 40 3HG GLU 40 8.506 16.913 -21.960 303 H TYR 41 H TYR 41 5.318 16.529 -20.162 304 HA TYR 41 HA TYR 41 4.078 13.979 -20.788 305 HB2 TYR 41 2HB TYR 41 3.392 14.598 -18.427 306 HB3 TYR 41 3HB TYR 41 2.560 15.987 -19.120 307 HD1 TYR 41 HD1 TYR 41 2.745 12.272 -19.455 308 HD2 TYR 41 HD2 TYR 41 0.338 15.769 -19.739 309 HE1 TYR 41 HE1 TYR 41 0.768 10.870 -19.873 310 HE2 TYR 41 HE2 TYR 41 -1.646 14.377 -20.156 311 HH TYR 41 HH TYR 41 -2.277 12.232 -20.844 312 H ASN 42 H ASN 42 3.667 14.247 -22.879 313 HA ASN 42 HA ASN 42 2.964 15.135 -24.854 314 HB2 ASN 42 2HB ASN 42 0.902 15.436 -23.041 315 HB3 ASN 42 3HB ASN 42 1.068 17.053 -23.718 316 HD21 ASN 42 1HD2 ASN 42 -0.899 14.726 -23.991 317 HD22 ASN 42 2HD2 ASN 42 -1.131 14.597 -25.699 318 H GLY 43 H GLY 43 5.117 16.490 -23.340 319 HA2 GLY 43 2HA GLY 43 6.505 18.228 -24.114 320 HA3 GLY 43 3HA GLY 43 5.116 18.953 -24.908 321 H LYS 44 H LYS 44 4.613 17.967 -21.674 322 HA LYS 44 HA LYS 44 4.784 20.776 -20.806 323 HB2 LYS 44 2HB LYS 44 2.609 19.077 -20.753 324 HB3 LYS 44 3HB LYS 44 3.223 18.975 -19.108 325 HG2 LYS 44 2HG LYS 44 2.444 20.993 -18.595 326 HG3 LYS 44 3HG LYS 44 3.114 21.710 -20.062 327 HD2 LYS 44 2HD LYS 44 0.609 20.044 -20.075 328 HD3 LYS 44 3HD LYS 44 0.586 21.787 -19.801 329 HE2 LYS 44 2HE LYS 44 0.634 22.114 -21.995 330 HE3 LYS 44 3HE LYS 44 2.204 21.319 -22.068 331 HZ1 LYS 44 3HZ LYS 44 0.674 20.235 -23.548 332 HZ2 LYS 44 1HZ LYS 44 -0.447 20.003 -22.303 333 HZ3 LYS 44 2HZ LYS 44 1.033 19.185 -22.272 334 H LEU 45 H LEU 45 4.784 20.683 -18.177 335 HA LEU 45 HA LEU 45 6.782 18.759 -17.268 336 HB2 LEU 45 2HB LEU 45 7.122 21.747 -17.234 337 HB3 LEU 45 3HB LEU 45 8.051 20.666 -16.197 338 HG LEU 45 HG LEU 45 8.085 20.645 -19.215 339 HD11 LEU 45 1HD1 LEU 45 10.120 21.669 -17.240 340 HD12 LEU 45 2HD1 LEU 45 9.121 22.655 -18.306 341 HD13 LEU 45 3HD1 LEU 45 10.332 21.569 -18.989 342 HD21 LEU 45 3HD2 LEU 45 9.306 18.928 -17.116 343 HD22 LEU 45 1HD2 LEU 45 10.250 19.287 -18.562 344 HD23 LEU 45 2HD2 LEU 45 8.679 18.498 -18.709 345 H TYR 46 H TYR 46 6.040 17.911 -15.450 346 HA TYR 46 HA TYR 46 4.514 19.638 -13.611 347 HB2 TYR 46 2HB TYR 46 4.108 16.691 -14.161 348 HB3 TYR 46 3HB TYR 46 3.249 17.619 -12.936 349 HD1 TYR 46 HD1 TYR 46 3.640 17.027 -16.538 350 HD2 TYR 46 HD2 TYR 46 1.488 19.154 -13.547 351 HE1 TYR 46 HE1 TYR 46 1.941 17.640 -18.206 352 HE2 TYR 46 HE2 TYR 46 -0.219 19.771 -15.207 353 HH TYR 46 HH TYR 46 -0.482 18.301 -18.207 354 H LYS 47 H LYS 47 4.715 19.168 -11.357 355 HA LYS 47 HA LYS 47 7.063 17.554 -10.632 356 HB2 LYS 47 2HB LYS 47 7.864 19.807 -10.613 357 HB3 LYS 47 3HB LYS 47 6.435 20.374 -9.758 358 HG2 LYS 47 2HG LYS 47 7.203 19.704 -7.740 359 HG3 LYS 47 3HG LYS 47 8.055 18.306 -8.403 360 HD2 LYS 47 2HD LYS 47 9.901 19.526 -8.007 361 HD3 LYS 47 3HD LYS 47 9.461 20.358 -9.500 362 HE2 LYS 47 2HE LYS 47 9.366 22.244 -8.328 363 HE3 LYS 47 3HE LYS 47 7.951 21.591 -7.505 364 HZ1 LYS 47 3HZ LYS 47 10.682 20.960 -6.577 365 HZ2 LYS 47 1HZ LYS 47 9.227 20.872 -5.719 366 HZ3 LYS 47 2HZ LYS 47 9.901 22.379 -6.088 367 H ALA 48 H ALA 48 6.436 16.005 -9.295 368 HA ALA 48 HA ALA 48 3.953 15.886 -8.012 369 HB1 ALA 48 1HB ALA 48 5.709 14.028 -8.548 370 HB2 ALA 48 2HB ALA 48 6.291 14.386 -6.921 371 HB3 ALA 48 3HB ALA 48 4.627 13.855 -7.165 372 H LYS 49 H LYS 49 3.232 17.086 -6.390 373 HA LYS 49 HA LYS 49 4.840 18.738 -4.784 374 HB2 LYS 49 2HB LYS 49 2.085 17.763 -4.039 375 HB3 LYS 49 3HB LYS 49 2.851 19.282 -3.592 376 HG2 LYS 49 2HG LYS 49 2.863 19.796 -6.100 377 HG3 LYS 49 3HG LYS 49 1.715 18.463 -6.239 378 HD2 LYS 49 2HD LYS 49 0.038 19.671 -5.367 379 HD3 LYS 49 3HD LYS 49 1.067 20.356 -4.107 380 HE2 LYS 49 2HE LYS 49 2.062 21.801 -5.970 381 HE3 LYS 49 3HE LYS 49 0.670 21.302 -6.931 382 HZ1 LYS 49 3HZ LYS 49 -0.718 22.132 -5.010 383 HZ2 LYS 49 1HZ LYS 49 0.064 23.316 -5.931 384 HZ3 LYS 49 2HZ LYS 49 0.686 22.872 -4.423 385 H TYR 50 H TYR 50 3.215 15.661 -4.038 386 HA TYR 50 HA TYR 50 5.234 15.164 -1.980 387 HB2 TYR 50 2HB TYR 50 3.659 14.620 -0.290 388 HB3 TYR 50 3HB TYR 50 3.137 16.166 -0.950 389 HD1 TYR 50 HD1 TYR 50 1.458 15.853 -3.055 390 HD2 TYR 50 HD2 TYR 50 2.001 13.083 0.128 391 HE1 TYR 50 HE1 TYR 50 -0.771 14.913 -3.500 392 HE2 TYR 50 HE2 TYR 50 -0.225 12.135 -0.309 393 HH TYR 50 HH TYR 50 -2.436 13.061 -1.404 394 H TRP 51 H TRP 51 4.908 12.840 -1.097 395 HA TRP 51 HA TRP 51 5.370 11.022 -3.112 396 HB2 TRP 51 2HB TRP 51 5.499 10.904 -0.422 397 HB3 TRP 51 3HB TRP 51 4.046 9.944 -0.688 398 HD1 TRP 51 HD1 TRP 51 7.742 10.009 -1.860 399 HE1 TRP 51 HE1 TRP 51 8.475 7.581 -2.299 400 HE3 TRP 51 HE3 TRP 51 3.288 7.649 -1.007 401 HZ2 TRP 51 HZ2 TRP 51 7.318 5.006 -2.287 402 HZ3 TRP 51 HZ3 TRP 51 3.186 5.203 -1.242 403 HH2 TRP 51 HH2 TRP 51 5.160 3.910 -1.869 404 H THR 52 H THR 52 4.091 10.389 -4.710 405 HA THR 52 HA THR 52 1.481 9.312 -4.181 406 HB THR 52 HB THR 52 1.585 11.673 -6.060 407 HG1 THR 52 HG1 THR 52 1.381 12.905 -4.362 408 HG21 THR 52 3HG2 THR 52 -0.990 11.364 -5.224 409 HG22 THR 52 1HG2 THR 52 -0.430 9.693 -5.256 410 HG23 THR 52 2HG2 THR 52 -0.331 10.685 -6.711 411 H THR 53 H THR 53 0.583 8.202 -5.998 412 HA THR 53 HA THR 53 2.447 7.835 -8.248 413 HB THR 53 HB THR 53 2.055 5.456 -8.265 414 HG1 THR 53 HG1 THR 53 0.684 4.480 -6.780 415 HG21 THR 53 3HG2 THR 53 3.515 6.768 -6.340 416 HG22 THR 53 1HG2 THR 53 3.595 5.042 -6.687 417 HG23 THR 53 2HG2 THR 53 2.555 5.633 -5.392 418 H SER 54 H SER 54 1.408 8.679 -9.943 419 HA SER 54 HA SER 54 -0.795 7.487 -11.128 420 HB2 SER 54 2HB SER 54 -2.405 8.223 -9.670 421 HB3 SER 54 3HB SER 54 -1.473 9.641 -9.190 422 HG SER 54 HG SER 54 -3.472 9.782 -10.680 423 HA PRO 55 HA PRO 55 0.668 9.976 -14.438 424 HB2 PRO 55 2HB PRO 55 -1.487 9.911 -16.089 425 HB3 PRO 55 3HB PRO 55 -0.427 8.520 -15.838 426 HG2 PRO 55 2HG PRO 55 -3.085 9.121 -14.602 427 HG3 PRO 55 3HG PRO 55 -2.469 7.585 -15.239 428 HD2 PRO 55 2HD PRO 55 -2.506 8.153 -12.592 429 HD3 PRO 55 3HD PRO 55 -1.254 7.137 -13.333 430 HA PRO 56 HA PRO 56 -0.704 14.126 -13.895 431 HB2 PRO 56 2HB PRO 56 0.017 15.196 -16.284 432 HB3 PRO 56 3HB PRO 56 1.188 14.760 -15.033 433 HG2 PRO 56 2HG PRO 56 0.381 13.243 -17.485 434 HG3 PRO 56 3HG PRO 56 2.001 13.496 -16.808 435 HD2 PRO 56 2HD PRO 56 0.614 11.199 -16.445 436 HD3 PRO 56 3HD PRO 56 1.738 11.839 -15.229 437 H SER 57 H SER 57 -2.603 15.149 -14.074 438 HA SER 57 HA SER 57 -4.079 15.538 -16.404 439 HB2 SER 57 2HB SER 57 -6.048 13.965 -15.663 440 HB3 SER 57 3HB SER 57 -4.718 13.317 -16.622 441 HG SER 57 HG SER 57 -5.499 12.674 -14.110 442 H ASP 58 H ASP 58 -5.186 14.486 -13.188 443 HA ASP 58 HA ASP 58 -5.930 17.249 -12.568 444 HB2 ASP 58 2HB ASP 58 -7.872 15.856 -13.584 445 HB3 ASP 58 3HB ASP 58 -7.887 15.034 -12.026 446 H ASP 59 H ASP 59 -5.049 17.731 -10.680 447 HA ASP 59 HA ASP 59 -4.703 15.586 -8.692 448 HB2 ASP 59 2HB ASP 59 -3.053 17.447 -7.745 449 HB3 ASP 59 3HB ASP 59 -2.551 16.314 -8.997 450 HA PRO 60 HA PRO 60 -7.955 18.314 -6.904 451 HB2 PRO 60 2HB PRO 60 -9.315 16.279 -5.730 452 HB3 PRO 60 3HB PRO 60 -9.564 16.756 -7.414 453 HG2 PRO 60 2HG PRO 60 -7.926 14.510 -6.302 454 HG3 PRO 60 3HG PRO 60 -9.013 14.515 -7.703 455 HD2 PRO 60 2HD PRO 60 -6.323 14.702 -7.947 456 HD3 PRO 60 3HD PRO 60 -7.441 15.490 -9.078 457 H TYR 61 H TYR 61 -5.585 16.173 -5.697 458 HA TYR 61 HA TYR 61 -6.040 17.125 -2.947 459 HB2 TYR 61 2HB TYR 61 -4.283 15.079 -2.638 460 HB3 TYR 61 3HB TYR 61 -6.030 14.898 -2.541 461 HD1 TYR 61 HD1 TYR 61 -3.175 14.674 -4.916 462 HD2 TYR 61 HD2 TYR 61 -7.149 13.457 -4.003 463 HE1 TYR 61 HE1 TYR 61 -3.104 13.065 -6.775 464 HE2 TYR 61 HE2 TYR 61 -7.088 11.844 -5.859 465 HH TYR 61 HH TYR 61 -4.215 11.532 -7.928 466 H GLY 62 H GLY 62 -4.167 17.639 -5.617 467 HA2 GLY 62 2HA GLY 62 -2.352 19.068 -5.840 468 HA3 GLY 62 3HA GLY 62 -2.217 19.120 -4.089 469 H SER 63 H SER 63 -2.065 16.441 -6.429 470 HA SER 63 HA SER 63 0.316 15.448 -5.077 471 HB2 SER 63 2HB SER 63 -1.200 13.705 -5.500 472 HB3 SER 63 3HB SER 63 -1.571 14.297 -7.119 473 HG SER 63 HG SER 63 1.059 13.535 -6.558 474 H TRP 64 H TRP 64 -0.449 17.388 -7.722 475 HA TRP 64 HA TRP 64 2.299 17.159 -8.717 476 HB2 TRP 64 2HB TRP 64 -0.221 16.923 -10.335 477 HB3 TRP 64 3HB TRP 64 1.255 17.550 -11.065 478 HD1 TRP 64 HD1 TRP 64 -0.462 14.353 -10.195 479 HE1 TRP 64 HE1 TRP 64 1.066 12.356 -10.742 480 HE3 TRP 64 HE3 TRP 64 3.908 16.875 -11.016 481 HZ2 TRP 64 HZ2 TRP 64 3.766 11.908 -11.430 482 HZ3 TRP 64 HZ3 TRP 64 5.918 15.588 -11.614 483 HH2 TRP 64 HH2 TRP 64 5.847 13.155 -11.815 484 H GLU 65 H GLU 65 3.019 19.050 -9.918 485 HA GLU 65 HA GLU 65 1.395 21.456 -9.561 486 HB2 GLU 65 2HB GLU 65 2.990 21.098 -7.591 487 HB3 GLU 65 3HB GLU 65 4.290 21.422 -8.729 488 HG2 GLU 65 2HG GLU 65 3.269 23.617 -9.212 489 HG3 GLU 65 3HG GLU 65 2.055 23.290 -7.978 490 H TYR 66 H TYR 66 1.189 22.098 -11.610 491 HA TYR 66 HA TYR 66 3.061 21.605 -13.661 492 HB2 TYR 66 2HB TYR 66 0.837 21.960 -14.354 493 HB3 TYR 66 3HB TYR 66 0.694 23.449 -13.427 494 HD1 TYR 66 HD2 TYR 66 1.614 25.538 -14.277 495 HD2 TYR 66 HD1 TYR 66 1.921 21.938 -16.524 496 HE1 TYR 66 HE2 TYR 66 2.209 26.843 -16.276 497 HE2 TYR 66 HE1 TYR 66 2.519 23.232 -18.528 498 HH TYR 66 HH TYR 66 3.428 26.467 -18.421 499 H LEU 67 H LEU 67 5.032 22.447 -13.752 500 HA LEU 67 HA LEU 67 5.545 25.096 -12.642 501 HB2 LEU 67 2HB LEU 67 7.477 23.080 -13.778 502 HB3 LEU 67 3HB LEU 67 7.895 24.551 -12.899 503 HG LEU 67 HG LEU 67 6.353 22.270 -11.675 504 HD11 LEU 67 1HD1 LEU 67 9.270 22.677 -12.046 505 HD12 LEU 67 2HD1 LEU 67 8.329 21.186 -12.002 506 HD13 LEU 67 3HD1 LEU 67 8.710 22.034 -10.502 507 HD21 LEU 67 3HD2 LEU 67 7.792 24.654 -10.516 508 HD22 LEU 67 1HD2 LEU 67 7.095 23.337 -9.572 509 HD23 LEU 67 2HD2 LEU 67 6.050 24.377 -10.539 510 H GLY 68 H GLY 68 5.364 23.429 -15.696 511 HA2 GLY 68 2HA GLY 68 4.929 25.620 -17.278 512 HA3 GLY 68 3HA GLY 68 6.680 25.476 -17.219 513 H GLU 69 H GLU 69 6.579 25.130 -19.521 514 HA GLU 69 HA GLU 69 5.571 22.477 -20.292 515 HB2 GLU 69 2HB GLU 69 5.342 24.990 -21.528 516 HB3 GLU 69 3HB GLU 69 6.480 24.082 -22.513 517 HG2 GLU 69 2HG GLU 69 4.757 23.107 -23.491 518 HG3 GLU 69 3HG GLU 69 4.404 22.303 -21.962 519 H ALA 70 H ALA 70 6.879 21.159 -21.699 520 HA ALA 70 HA ALA 70 9.448 20.700 -20.809 521 HB1 ALA 70 1HB ALA 70 8.010 19.940 -23.319 522 HB2 ALA 70 2HB ALA 70 9.709 19.517 -23.102 523 HB3 ALA 70 3HB ALA 70 8.501 18.929 -21.959 524 H GLU 71 H GLU 71 8.358 22.791 -23.419 525 HA GLU 71 HA GLU 71 11.139 23.707 -23.762 526 HB2 GLU 71 2HB GLU 71 8.922 23.361 -25.757 527 HB3 GLU 71 3HB GLU 71 10.223 24.503 -26.057 528 HG2 GLU 71 2HG GLU 71 10.885 22.555 -27.146 529 HG3 GLU 71 3HG GLU 71 11.810 22.558 -25.646 530 HA PRO 72 HA PRO 72 9.226 27.386 -21.994 531 HB2 PRO 72 2HB PRO 72 11.583 28.630 -21.479 532 HB3 PRO 72 3HB PRO 72 10.911 27.373 -20.433 533 HG2 PRO 72 2HG PRO 72 13.034 27.155 -22.532 534 HG3 PRO 72 3HG PRO 72 12.984 26.436 -20.913 535 HD2 PRO 72 2HD PRO 72 12.377 25.034 -23.149 536 HD3 PRO 72 3HD PRO 72 11.605 24.714 -21.582 537 H THR 73 H THR 73 8.709 29.311 -22.902 538 HA THR 73 HA THR 73 9.347 29.795 -25.615 539 HB THR 73 HB THR 73 8.162 31.782 -23.670 540 HG1 THR 73 HG1 THR 73 6.687 30.230 -23.548 541 HG21 THR 73 3HG2 THR 73 7.138 31.783 -26.375 542 HG22 THR 73 1HG2 THR 73 8.883 32.037 -26.351 543 HG23 THR 73 2HG2 THR 73 7.823 33.107 -25.434 Start of MODEL 13 1 H1 GLY 1 H GLY 1 32.699 10.811 0.695 2 HA2 GLY 1 2HA GLY 1 33.074 8.477 -0.858 3 HA3 GLY 1 3HA GLY 1 32.070 8.606 0.577 4 HA PRO 2 HA PRO 2 29.456 7.946 -3.280 5 HB2 PRO 2 2HB PRO 2 28.372 5.580 -2.510 6 HB3 PRO 2 3HB PRO 2 29.881 5.693 -3.423 7 HG2 PRO 2 2HG PRO 2 29.469 5.295 -0.484 8 HG3 PRO 2 3HG PRO 2 30.615 4.490 -1.573 9 HD2 PRO 2 2HD PRO 2 31.342 6.518 0.067 10 HD3 PRO 2 3HD PRO 2 32.100 6.252 -1.516 11 H SER 3 H SER 3 27.263 8.345 -3.386 12 HA SER 3 HA SER 3 26.039 9.264 -0.923 13 HB2 SER 3 2HB SER 3 24.147 9.844 -2.664 14 HB3 SER 3 3HB SER 3 25.624 10.806 -2.599 15 HG SER 3 HG SER 3 24.655 9.490 -4.662 16 H THR 4 H THR 4 23.554 8.837 -0.808 17 HA THR 4 HA THR 4 22.736 6.201 -1.659 18 HB THR 4 HB THR 4 22.438 6.456 1.258 19 HG1 THR 4 HG1 THR 4 24.573 5.995 1.717 20 HG21 THR 4 3HG2 THR 4 22.737 4.387 -0.800 21 HG22 THR 4 1HG2 THR 4 21.827 4.360 0.711 22 HG23 THR 4 2HG2 THR 4 23.559 4.026 0.718 23 H SER 5 H SER 5 22.053 8.923 0.519 24 HA SER 5 HA SER 5 19.217 8.492 0.438 25 HB2 SER 5 2HB SER 5 20.794 9.735 2.220 26 HB3 SER 5 3HB SER 5 20.300 11.136 1.267 27 HG SER 5 HG SER 5 18.722 10.955 2.738 28 H MET 6 H MET 6 17.978 8.978 -1.237 29 HA MET 6 HA MET 6 17.975 11.527 -2.466 30 HB2 MET 6 2HB MET 6 19.930 10.795 -3.643 31 HB3 MET 6 3HB MET 6 19.188 9.249 -4.032 32 HG2 MET 6 2HG MET 6 17.562 10.392 -5.456 33 HG3 MET 6 3HG MET 6 18.325 11.935 -5.077 34 HE1 MET 6 3HE MET 6 20.266 12.842 -7.208 35 HE2 MET 6 1HE MET 6 19.464 11.977 -8.518 36 HE3 MET 6 2HE MET 6 18.514 12.629 -7.182 37 H GLU 7 H GLU 7 15.917 11.869 -2.958 38 HA GLU 7 HA GLU 7 14.200 9.552 -3.515 39 HB2 GLU 7 2HB GLU 7 13.810 12.124 -2.128 40 HB3 GLU 7 3HB GLU 7 12.472 11.625 -3.154 41 HG2 GLU 7 2HG GLU 7 12.371 10.929 -0.728 42 HG3 GLU 7 3HG GLU 7 12.113 9.664 -1.928 43 H ASN 8 H ASN 8 14.931 12.832 -4.645 44 HA ASN 8 HA ASN 8 13.223 12.643 -6.934 45 HB2 ASN 8 2HB ASN 8 13.680 14.825 -6.016 46 HB3 ASN 8 3HB ASN 8 15.415 14.592 -6.199 47 HD21 ASN 8 1HD2 ASN 8 12.526 14.309 -8.247 48 HD22 ASN 8 2HD2 ASN 8 13.177 15.197 -9.578 49 H LEU 9 H LEU 9 14.141 10.513 -7.604 50 HA LEU 9 HA LEU 9 16.717 10.685 -8.966 51 HB2 LEU 9 2HB LEU 9 16.707 8.352 -9.076 52 HB3 LEU 9 3HB LEU 9 16.026 8.734 -7.496 53 HG LEU 9 HG LEU 9 13.849 8.503 -9.270 54 HD11 LEU 9 1HD1 LEU 9 15.326 7.337 -10.822 55 HD12 LEU 9 2HD1 LEU 9 14.128 6.239 -10.136 56 HD13 LEU 9 3HD1 LEU 9 15.789 6.211 -9.545 57 HD21 LEU 9 3HD2 LEU 9 14.784 6.399 -7.341 58 HD22 LEU 9 1HD2 LEU 9 13.132 6.845 -7.772 59 HD23 LEU 9 2HD2 LEU 9 14.116 7.940 -6.799 60 H VAL 10 H VAL 10 13.932 11.817 -9.787 61 HA VAL 10 HA VAL 10 12.984 10.587 -12.071 62 HB VAL 10 HB VAL 10 12.031 12.634 -10.913 63 HG11 VAL 10 1HG1 VAL 10 14.265 13.870 -11.141 64 HG12 VAL 10 2HG1 VAL 10 13.758 14.205 -12.798 65 HG13 VAL 10 3HG1 VAL 10 12.786 14.782 -11.443 66 HG21 VAL 10 3HG2 VAL 10 11.479 11.618 -13.281 67 HG22 VAL 10 1HG2 VAL 10 10.745 13.129 -12.742 68 HG23 VAL 10 2HG2 VAL 10 12.123 13.160 -13.843 69 H SER 11 H SER 11 15.899 12.428 -11.617 70 HA SER 11 HA SER 11 16.452 13.083 -14.295 71 HB2 SER 11 2HB SER 11 17.641 13.695 -11.966 72 HB3 SER 11 3HB SER 11 18.735 12.422 -12.507 73 HG SER 11 HG SER 11 18.644 14.945 -13.305 74 H LEU 12 H LEU 12 17.110 10.191 -12.394 75 HA LEU 12 HA LEU 12 18.262 8.914 -14.780 76 HB2 LEU 12 2HB LEU 12 18.560 8.422 -11.845 77 HB3 LEU 12 3HB LEU 12 18.892 7.132 -13.000 78 HG LEU 12 HG LEU 12 20.312 9.438 -13.847 79 HD11 LEU 12 1HD1 LEU 12 21.799 9.713 -11.872 80 HD12 LEU 12 2HD1 LEU 12 20.627 8.802 -10.920 81 HD13 LEU 12 3HD1 LEU 12 20.170 10.348 -11.638 82 HD21 LEU 12 3HD2 LEU 12 22.238 7.987 -13.532 83 HD22 LEU 12 1HD2 LEU 12 20.908 7.100 -14.275 84 HD23 LEU 12 2HD2 LEU 12 21.265 6.881 -12.561 85 H GLN 13 H GLN 13 15.381 9.345 -14.194 86 HA GLN 13 HA GLN 13 14.322 6.736 -13.573 87 HB2 GLN 13 2HB GLN 13 13.323 9.373 -13.616 88 HB3 GLN 13 3HB GLN 13 12.392 8.474 -14.808 89 HG2 GLN 13 2HG GLN 13 11.810 6.817 -13.130 90 HG3 GLN 13 3HG GLN 13 12.779 7.674 -11.932 91 HE21 GLN 13 1HE2 GLN 13 10.773 7.708 -10.718 92 HE22 GLN 13 2HE2 GLN 13 9.617 8.954 -11.032 93 H ASN 14 H ASN 14 15.299 8.452 -16.392 94 HA ASN 14 HA ASN 14 14.213 6.284 -18.065 95 HB2 ASN 14 2HB ASN 14 13.833 9.146 -18.295 96 HB3 ASN 14 3HB ASN 14 14.596 8.496 -19.742 97 HD21 ASN 14 1HD2 ASN 14 12.062 7.460 -17.478 98 HD22 ASN 14 2HD2 ASN 14 10.911 7.041 -18.697 99 H LEU 15 H LEU 15 16.426 8.998 -18.682 100 HA LEU 15 HA LEU 15 18.814 7.549 -18.641 101 HB2 LEU 15 2HB LEU 15 17.211 7.198 -21.029 102 HB3 LEU 15 3HB LEU 15 18.791 7.885 -21.396 103 HG LEU 15 HG LEU 15 18.880 5.566 -19.606 104 HD11 LEU 15 1HD1 LEU 15 17.051 4.775 -20.920 105 HD12 LEU 15 2HD1 LEU 15 18.513 3.967 -21.484 106 HD13 LEU 15 3HD1 LEU 15 17.827 5.297 -22.415 107 HD21 LEU 15 3HD2 LEU 15 20.251 5.864 -22.247 108 HD22 LEU 15 1HD2 LEU 15 20.820 5.089 -20.769 109 HD23 LEU 15 2HD2 LEU 15 20.750 6.847 -20.870 110 H LEU 16 H LEU 16 20.411 8.994 -18.540 111 HA LEU 16 HA LEU 16 19.933 11.755 -18.763 112 HB2 LEU 16 2HB LEU 16 21.925 10.147 -17.729 113 HB3 LEU 16 3HB LEU 16 22.729 10.999 -19.045 114 HG LEU 16 HG LEU 16 21.895 13.144 -17.996 115 HD11 LEU 16 1HD1 LEU 16 21.704 11.970 -15.355 116 HD12 LEU 16 2HD1 LEU 16 20.415 11.416 -16.424 117 HD13 LEU 16 3HD1 LEU 16 20.653 13.143 -16.152 118 HD21 LEU 16 3HD2 LEU 16 24.212 12.070 -17.772 119 HD22 LEU 16 1HD2 LEU 16 23.694 11.610 -16.150 120 HD23 LEU 16 2HD2 LEU 16 23.762 13.314 -16.604 121 H VAL 17 H VAL 17 21.604 9.485 -20.917 122 HA VAL 17 HA VAL 17 22.102 9.582 -23.138 123 HB VAL 17 HB VAL 17 20.391 12.022 -23.462 124 HG11 VAL 17 1HG1 VAL 17 19.872 10.045 -25.390 125 HG12 VAL 17 2HG1 VAL 17 20.762 11.554 -25.601 126 HG13 VAL 17 3HG1 VAL 17 21.620 10.075 -25.169 127 HG21 VAL 17 3HG2 VAL 17 18.778 10.930 -22.313 128 HG22 VAL 17 1HG2 VAL 17 18.589 10.061 -23.836 129 HG23 VAL 17 2HG2 VAL 17 19.539 9.353 -22.529 130 H TYR 18 H TYR 18 23.378 10.751 -24.680 131 HA TYR 18 HA TYR 18 25.335 12.398 -23.503 132 HB2 TYR 18 2HB TYR 18 26.225 12.647 -25.774 133 HB3 TYR 18 3HB TYR 18 25.795 10.972 -25.447 134 HD1 TYR 18 HD1 TYR 18 23.875 9.941 -26.556 135 HD2 TYR 18 HD2 TYR 18 25.019 13.948 -27.413 136 HE1 TYR 18 HE1 TYR 18 22.475 9.901 -28.577 137 HE2 TYR 18 HE2 TYR 18 23.621 13.920 -29.437 138 HH TYR 18 HH TYR 18 22.522 12.524 -30.895 139 H VAL 19 H VAL 19 22.509 13.117 -25.486 140 HA VAL 19 HA VAL 19 23.045 15.849 -25.921 141 HB VAL 19 HB VAL 19 21.338 14.498 -27.159 142 HG11 VAL 19 1HG1 VAL 19 19.432 15.074 -24.925 143 HG12 VAL 19 2HG1 VAL 19 19.289 13.914 -26.249 144 HG13 VAL 19 3HG1 VAL 19 20.398 13.599 -24.913 145 HG21 VAL 19 3HG2 VAL 19 19.667 16.354 -27.280 146 HG22 VAL 19 1HG2 VAL 19 20.490 17.109 -25.916 147 HG23 VAL 19 2HG2 VAL 19 21.344 16.873 -27.440 148 H ASN 20 H ASN 20 21.892 14.126 -23.165 149 HA ASN 20 HA ASN 20 21.359 14.779 -21.052 150 HB2 ASN 20 2HB ASN 20 23.422 16.244 -21.477 151 HB3 ASN 20 3HB ASN 20 22.284 17.558 -21.760 152 HD21 ASN 20 1HD2 ASN 20 22.484 14.909 -19.405 153 HD22 ASN 20 2HD2 ASN 20 22.340 15.916 -18.008 154 H TRP 21 H TRP 21 19.338 14.826 -22.997 155 HA TRP 21 HA TRP 21 17.341 16.296 -21.657 156 HB2 TRP 21 2HB TRP 21 18.179 18.273 -22.674 157 HB3 TRP 21 3HB TRP 21 18.385 17.473 -24.231 158 HD1 TRP 21 HD1 TRP 21 15.242 17.776 -21.958 159 HE1 TRP 21 HE1 TRP 21 13.318 18.693 -23.400 160 HE3 TRP 21 HE3 TRP 21 17.762 18.422 -26.360 161 HZ2 TRP 21 HZ2 TRP 21 12.920 19.572 -26.052 162 HZ3 TRP 21 HZ3 TRP 21 16.536 19.305 -28.301 163 HH2 TRP 21 HH2 TRP 21 14.165 19.868 -28.150 164 H SER 22 H SER 22 17.646 15.825 -25.159 165 HA SER 22 HA SER 22 16.266 14.719 -26.615 166 HB2 SER 22 2HB SER 22 17.775 12.938 -25.196 167 HB3 SER 22 3HB SER 22 16.151 12.306 -24.926 168 HG SER 22 HG SER 22 17.530 11.759 -26.957 169 H SER 23 H SER 23 14.825 16.289 -24.765 170 HA SER 23 HA SER 23 12.671 16.673 -24.138 171 HB2 SER 23 2HB SER 23 11.607 14.118 -25.184 172 HB3 SER 23 3HB SER 23 11.035 15.767 -25.436 173 HG SER 23 HG SER 23 12.777 16.049 -26.903 174 H TYR 24 H TYR 24 12.030 16.513 -22.103 175 HA TYR 24 HA TYR 24 12.878 14.631 -20.283 176 HB2 TYR 24 2HB TYR 24 10.622 16.584 -20.329 177 HB3 TYR 24 3HB TYR 24 10.660 15.387 -19.040 178 HD1 TYR 24 HD1 TYR 24 13.537 17.098 -20.657 179 HD2 TYR 24 HD2 TYR 24 11.169 16.670 -17.147 180 HE1 TYR 24 HE1 TYR 24 15.134 18.496 -19.414 181 HE2 TYR 24 HE2 TYR 24 12.759 18.067 -15.896 182 HH TYR 24 HH TYR 24 14.969 20.023 -17.274 183 HA PRO 25 HA PRO 25 10.493 10.987 -20.827 184 HB2 PRO 25 2HB PRO 25 10.211 10.142 -18.263 185 HB3 PRO 25 3HB PRO 25 11.744 10.056 -19.140 186 HG2 PRO 25 2HG PRO 25 10.812 12.089 -17.150 187 HG3 PRO 25 3HG PRO 25 12.400 11.316 -17.299 188 HD2 PRO 25 2HD PRO 25 11.904 13.814 -18.217 189 HD3 PRO 25 3HD PRO 25 13.066 12.723 -18.999 190 H LYS 26 H LYS 26 8.400 10.586 -21.181 191 HA LYS 26 HA LYS 26 6.381 12.359 -20.242 192 HB2 LYS 26 2HB LYS 26 6.204 9.730 -21.723 193 HB3 LYS 26 3HB LYS 26 4.824 10.771 -21.398 194 HG2 LYS 26 2HG LYS 26 5.500 12.371 -22.899 195 HG3 LYS 26 3HG LYS 26 7.199 11.901 -22.798 196 HD2 LYS 26 2HD LYS 26 5.326 9.872 -23.858 197 HD3 LYS 26 3HD LYS 26 5.620 11.282 -24.878 198 HE2 LYS 26 2HE LYS 26 8.046 10.152 -23.708 199 HE3 LYS 26 3HE LYS 26 7.186 9.031 -24.762 200 HZ1 LYS 26 3HZ LYS 26 7.678 10.232 -26.576 201 HZ2 LYS 26 1HZ LYS 26 8.927 10.862 -25.626 202 HZ3 LYS 26 2HZ LYS 26 7.479 11.720 -25.797 203 H TYR 27 H TYR 27 4.531 11.832 -18.967 204 HA TYR 27 HA TYR 27 5.052 10.665 -16.524 205 HB2 TYR 27 2HB TYR 27 3.057 11.568 -16.082 206 HB3 TYR 27 3HB TYR 27 2.821 11.864 -17.801 207 HD1 TYR 27 HD2 TYR 27 2.185 9.474 -15.059 208 HD2 TYR 27 HD1 TYR 27 1.311 10.543 -19.084 209 HE1 TYR 27 HE2 TYR 27 0.323 7.868 -15.074 210 HE2 TYR 27 HE1 TYR 27 -0.555 8.940 -19.110 211 HH TYR 27 HH TYR 27 -1.699 7.427 -17.964 212 H GLU 28 H GLU 28 5.194 8.649 -15.790 213 HA GLU 28 HA GLU 28 4.229 6.472 -17.525 214 HB2 GLU 28 2HB GLU 28 6.775 6.932 -16.288 215 HB3 GLU 28 3HB GLU 28 6.074 5.460 -15.632 216 HG2 GLU 28 2HG GLU 28 6.164 4.357 -17.622 217 HG3 GLU 28 3HG GLU 28 6.025 5.834 -18.574 218 HA PRO 29 HA PRO 29 1.423 5.967 -14.032 219 HB2 PRO 29 2HB PRO 29 -0.249 4.276 -15.341 220 HB3 PRO 29 3HB PRO 29 -0.300 6.030 -15.551 221 HG2 PRO 29 2HG PRO 29 0.978 3.952 -17.284 222 HG3 PRO 29 3HG PRO 29 0.020 5.368 -17.756 223 HD2 PRO 29 2HD PRO 29 2.725 5.336 -17.867 224 HD3 PRO 29 3HD PRO 29 1.801 6.810 -17.513 225 H GLY 30 H GLY 30 1.771 4.585 -12.415 226 HA2 GLY 30 2HA GLY 30 1.723 2.365 -11.514 227 HA3 GLY 30 3HA GLY 30 2.331 1.769 -13.052 228 H LYS 31 H LYS 31 3.771 4.600 -11.697 229 HA LYS 31 HA LYS 31 5.973 3.043 -10.554 230 HB2 LYS 31 2HB LYS 31 6.109 4.284 -13.074 231 HB3 LYS 31 3HB LYS 31 7.014 5.324 -11.984 232 HG2 LYS 31 2HG LYS 31 7.970 2.900 -11.269 233 HG3 LYS 31 3HG LYS 31 7.632 2.633 -12.980 234 HD2 LYS 31 2HD LYS 31 8.860 5.154 -12.810 235 HD3 LYS 31 3HD LYS 31 9.788 4.085 -11.754 236 HE2 LYS 31 2HE LYS 31 10.043 2.491 -13.582 237 HE3 LYS 31 3HE LYS 31 9.081 3.527 -14.635 238 HZ1 LYS 31 3HZ LYS 31 10.834 4.806 -15.063 239 HZ2 LYS 31 1HZ LYS 31 11.788 3.591 -14.373 240 HZ3 LYS 31 2HZ LYS 31 11.286 4.907 -13.436 241 H GLU 32 H GLU 32 6.294 3.749 -8.558 242 HA GLU 32 HA GLU 32 5.139 5.914 -7.346 243 HB2 GLU 32 2HB GLU 32 6.931 5.736 -5.628 244 HB3 GLU 32 3HB GLU 32 6.195 4.193 -6.040 245 HG2 GLU 32 2HG GLU 32 8.211 4.075 -7.733 246 HG3 GLU 32 3HG GLU 32 8.935 5.198 -6.582 247 H TYR 33 H TYR 33 5.698 8.029 -6.912 248 HA TYR 33 HA TYR 33 8.028 9.100 -8.356 249 HB2 TYR 33 2HB TYR 33 5.207 10.170 -8.322 250 HB3 TYR 33 3HB TYR 33 6.588 11.155 -8.791 251 HD1 TYR 33 HD1 TYR 33 8.099 10.150 -10.681 252 HD2 TYR 33 HD2 TYR 33 4.081 8.960 -9.946 253 HE1 TYR 33 HE1 TYR 33 7.941 9.286 -12.979 254 HE2 TYR 33 HE2 TYR 33 3.912 8.092 -12.241 255 HH TYR 33 HH TYR 33 6.697 7.898 -14.343 256 H ASN 34 H ASN 34 9.390 9.825 -6.865 257 HA ASN 34 HA ASN 34 8.518 10.666 -4.264 258 HB2 ASN 34 2HB ASN 34 11.285 11.177 -5.297 259 HB3 ASN 34 3HB ASN 34 10.767 10.717 -3.678 260 HD21 ASN 34 1HD2 ASN 34 10.928 8.659 -3.113 261 HD22 ASN 34 2HD2 ASN 34 11.229 7.342 -4.189 262 H GLN 35 H GLN 35 8.887 12.748 -3.326 263 HA GLN 35 HA GLN 35 7.888 14.887 -4.747 264 HB2 GLN 35 2HB GLN 35 8.408 16.235 -2.900 265 HB3 GLN 35 3HB GLN 35 8.216 14.626 -2.216 266 HG2 GLN 35 2HG GLN 35 10.808 16.028 -2.829 267 HG3 GLN 35 3HG GLN 35 10.124 15.711 -1.234 268 HE21 GLN 35 1HE2 GLN 35 9.384 13.175 -1.269 269 HE22 GLN 35 2HE2 GLN 35 10.717 12.124 -1.591 270 H GLY 36 H GLY 36 8.696 16.452 -6.040 271 HA2 GLY 36 2HA GLY 36 10.419 17.859 -6.878 272 HA3 GLY 36 3HA GLY 36 11.607 16.690 -6.319 273 H ASP 37 H ASP 37 9.849 14.520 -7.529 274 HA ASP 37 HA ASP 37 11.247 14.211 -9.933 275 HB2 ASP 37 2HB ASP 37 10.266 12.312 -8.765 276 HB3 ASP 37 3HB ASP 37 8.647 12.945 -9.047 277 H ILE 38 H ILE 38 10.915 14.899 -11.957 278 HA ILE 38 HA ILE 38 8.386 16.301 -12.533 279 HB ILE 38 HB ILE 38 11.134 16.931 -13.617 280 HG12 ILE 38 2HG1 ILE 38 9.334 18.513 -11.767 281 HG13 ILE 38 3HG1 ILE 38 10.780 17.639 -11.275 282 HG21 ILE 38 1HG2 ILE 38 10.098 17.911 -15.317 283 HG22 ILE 38 2HG2 ILE 38 8.524 17.491 -14.646 284 HG23 ILE 38 3HG2 ILE 38 9.309 18.997 -14.173 285 HD11 ILE 38 3HD1 ILE 38 10.501 20.223 -12.660 286 HD12 ILE 38 1HD1 ILE 38 11.705 19.679 -11.491 287 HD13 ILE 38 2HD1 ILE 38 11.832 19.190 -13.181 288 H VAL 39 H VAL 39 7.248 15.631 -14.241 289 HA VAL 39 HA VAL 39 8.580 13.988 -16.281 290 HB VAL 39 HB VAL 39 6.778 12.401 -16.337 291 HG11 VAL 39 1HG1 VAL 39 7.321 12.635 -13.407 292 HG12 VAL 39 2HG1 VAL 39 7.292 11.199 -14.432 293 HG13 VAL 39 3HG1 VAL 39 8.647 12.323 -14.526 294 HG21 VAL 39 3HG2 VAL 39 5.070 12.622 -14.347 295 HG22 VAL 39 1HG2 VAL 39 5.471 14.335 -14.487 296 HG23 VAL 39 2HG2 VAL 39 4.802 13.469 -15.871 297 H GLU 40 H GLU 40 7.670 14.072 -18.354 298 HA GLU 40 HA GLU 40 6.200 16.510 -18.889 299 HB2 GLU 40 2HB GLU 40 8.119 15.911 -20.293 300 HB3 GLU 40 3HB GLU 40 7.314 14.423 -20.772 301 HG2 GLU 40 2HG GLU 40 5.547 15.718 -21.848 302 HG3 GLU 40 3HG GLU 40 6.348 17.212 -21.365 303 H TYR 41 H TYR 41 4.215 16.639 -19.958 304 HA TYR 41 HA TYR 41 2.717 14.208 -20.476 305 HB2 TYR 41 2HB TYR 41 2.386 14.731 -18.038 306 HB3 TYR 41 3HB TYR 41 1.634 16.247 -18.525 307 HD1 TYR 41 HD1 TYR 41 1.335 12.558 -18.964 308 HD2 TYR 41 HD2 TYR 41 -0.653 16.320 -18.968 309 HE1 TYR 41 HE1 TYR 41 -0.827 11.408 -19.179 310 HE2 TYR 41 HE2 TYR 41 -2.822 15.180 -19.181 311 HH TYR 41 HH TYR 41 -3.421 12.216 -18.464 312 H ASN 42 H ASN 42 1.999 14.572 -22.465 313 HA ASN 42 HA ASN 42 1.125 15.593 -24.302 314 HB2 ASN 42 2HB ASN 42 -0.650 15.946 -22.209 315 HB3 ASN 42 3HB ASN 42 -0.476 17.572 -22.862 316 HD21 ASN 42 1HD2 ASN 42 -2.555 15.282 -22.933 317 HD22 ASN 42 2HD2 ASN 42 -3.043 15.261 -24.590 318 H GLY 43 H GLY 43 3.578 16.689 -23.239 319 HA2 GLY 43 2HA GLY 43 4.952 18.391 -24.048 320 HA3 GLY 43 3HA GLY 43 3.526 19.217 -24.657 321 H LYS 44 H LYS 44 3.453 18.161 -21.386 322 HA LYS 44 HA LYS 44 3.870 20.943 -20.504 323 HB2 LYS 44 2HB LYS 44 2.116 18.800 -19.287 324 HB3 LYS 44 3HB LYS 44 2.356 20.409 -18.619 325 HG2 LYS 44 2HG LYS 44 1.574 20.955 -21.183 326 HG3 LYS 44 3HG LYS 44 0.629 19.517 -20.791 327 HD2 LYS 44 2HD LYS 44 0.431 21.067 -18.513 328 HD3 LYS 44 3HD LYS 44 0.362 22.248 -19.823 329 HE2 LYS 44 2HE LYS 44 -1.331 19.759 -19.746 330 HE3 LYS 44 3HE LYS 44 -1.854 21.304 -19.078 331 HZ1 LYS 44 3HZ LYS 44 -1.018 21.958 -21.569 332 HZ2 LYS 44 1HZ LYS 44 -2.627 21.694 -21.117 333 HZ3 LYS 44 2HZ LYS 44 -1.729 20.443 -21.815 334 H LEU 45 H LEU 45 4.202 20.804 -17.909 335 HA LEU 45 HA LEU 45 6.129 18.713 -17.258 336 HB2 LEU 45 2HB LEU 45 6.743 21.623 -17.512 337 HB3 LEU 45 3HB LEU 45 7.592 20.656 -16.307 338 HG LEU 45 HG LEU 45 7.600 20.176 -19.287 339 HD11 LEU 45 1HD1 LEU 45 9.225 21.825 -17.535 340 HD12 LEU 45 2HD1 LEU 45 9.150 21.773 -19.296 341 HD13 LEU 45 3HD1 LEU 45 10.178 20.638 -18.423 342 HD21 LEU 45 3HD2 LEU 45 9.525 18.625 -18.562 343 HD22 LEU 45 1HD2 LEU 45 7.866 18.066 -18.344 344 HD23 LEU 45 2HD2 LEU 45 8.775 18.687 -16.966 345 H TYR 46 H TYR 46 5.356 17.907 -15.424 346 HA TYR 46 HA TYR 46 4.343 19.782 -13.388 347 HB2 TYR 46 2HB TYR 46 3.544 16.897 -13.831 348 HB3 TYR 46 3HB TYR 46 2.914 17.956 -12.575 349 HD1 TYR 46 HD1 TYR 46 2.928 17.253 -16.184 350 HD2 TYR 46 HD2 TYR 46 1.262 19.632 -13.076 351 HE1 TYR 46 HE1 TYR 46 1.163 18.011 -17.719 352 HE2 TYR 46 HE2 TYR 46 -0.509 20.397 -14.601 353 HH TYR 46 HH TYR 46 -1.200 20.451 -16.739 354 H LYS 47 H LYS 47 4.714 19.198 -11.161 355 HA LYS 47 HA LYS 47 6.983 17.371 -10.753 356 HB2 LYS 47 2HB LYS 47 7.886 19.623 -10.765 357 HB3 LYS 47 3HB LYS 47 6.668 20.152 -9.609 358 HG2 LYS 47 2HG LYS 47 7.761 19.265 -7.843 359 HG3 LYS 47 3HG LYS 47 8.377 17.895 -8.771 360 HD2 LYS 47 2HD LYS 47 10.343 18.983 -8.607 361 HD3 LYS 47 3HD LYS 47 9.707 19.942 -9.946 362 HE2 LYS 47 2HE LYS 47 10.084 21.706 -8.619 363 HE3 LYS 47 3HE LYS 47 8.625 21.197 -7.768 364 HZ1 LYS 47 3HZ LYS 47 10.552 21.581 -6.296 365 HZ2 LYS 47 1HZ LYS 47 11.366 20.308 -7.056 366 HZ3 LYS 47 2HZ LYS 47 9.945 20.006 -6.191 367 H ALA 48 H ALA 48 6.471 15.844 -9.342 368 HA ALA 48 HA ALA 48 4.102 15.834 -7.827 369 HB1 ALA 48 1HB ALA 48 5.454 13.922 -6.592 370 HB2 ALA 48 2HB ALA 48 4.809 13.704 -8.219 371 HB3 ALA 48 3HB ALA 48 6.511 14.107 -7.992 372 H LYS 49 H LYS 49 3.656 17.024 -6.102 373 HA LYS 49 HA LYS 49 5.503 18.523 -4.639 374 HB2 LYS 49 2HB LYS 49 2.848 17.564 -3.575 375 HB3 LYS 49 3HB LYS 49 3.712 19.034 -3.146 376 HG2 LYS 49 2HG LYS 49 3.416 19.548 -5.714 377 HG3 LYS 49 3HG LYS 49 2.064 18.428 -5.540 378 HD2 LYS 49 2HD LYS 49 0.839 19.918 -4.397 379 HD3 LYS 49 3HD LYS 49 2.211 20.410 -3.401 380 HE2 LYS 49 2HE LYS 49 3.034 21.702 -5.418 381 HE3 LYS 49 3HE LYS 49 1.458 21.391 -6.145 382 HZ1 LYS 49 3HZ LYS 49 2.153 23.113 -3.880 383 HZ2 LYS 49 1HZ LYS 49 0.634 22.369 -3.877 384 HZ3 LYS 49 2HZ LYS 49 1.074 23.389 -5.152 385 H TYR 50 H TYR 50 4.011 15.389 -3.904 386 HA TYR 50 HA TYR 50 6.251 14.793 -2.129 387 HB2 TYR 50 2HB TYR 50 4.513 13.796 -0.492 388 HB3 TYR 50 3HB TYR 50 4.776 15.537 -0.476 389 HD1 TYR 50 HD1 TYR 50 2.664 13.176 -2.474 390 HD2 TYR 50 HD2 TYR 50 2.844 16.740 -0.156 391 HE1 TYR 50 HE1 TYR 50 0.261 13.534 -2.851 392 HE2 TYR 50 HE2 TYR 50 0.439 17.108 -0.526 393 HH TYR 50 HH TYR 50 -1.513 16.015 -1.169 394 H TRP 51 H TRP 51 5.843 12.409 -1.250 395 HA TRP 51 HA TRP 51 6.059 10.699 -3.437 396 HB2 TRP 51 2HB TRP 51 6.523 10.460 -0.767 397 HB3 TRP 51 3HB TRP 51 5.082 9.461 -0.942 398 HD1 TRP 51 HD1 TRP 51 8.646 9.739 -2.435 399 HE1 TRP 51 HE1 TRP 51 9.397 7.381 -3.141 400 HE3 TRP 51 HE3 TRP 51 4.339 7.179 -1.420 401 HZ2 TRP 51 HZ2 TRP 51 8.308 4.780 -3.254 402 HZ3 TRP 51 HZ3 TRP 51 4.276 4.758 -1.856 403 HH2 TRP 51 HH2 TRP 51 6.219 3.585 -2.755 404 H THR 52 H THR 52 4.519 10.307 -4.883 405 HA THR 52 HA THR 52 2.035 9.117 -4.068 406 HB THR 52 HB THR 52 1.958 11.809 -5.444 407 HG1 THR 52 HG1 THR 52 1.211 10.895 -2.862 408 HG21 THR 52 3HG2 THR 52 0.262 10.463 -6.430 409 HG22 THR 52 1HG2 THR 52 -0.536 11.482 -5.234 410 HG23 THR 52 2HG2 THR 52 -0.204 9.789 -4.868 411 H THR 53 H THR 53 1.012 8.011 -5.731 412 HA THR 53 HA THR 53 2.411 8.042 -8.327 413 HB THR 53 HB THR 53 1.043 5.535 -7.668 414 HG1 THR 53 HG1 THR 53 1.979 6.250 -5.596 415 HG21 THR 53 3HG2 THR 53 2.387 5.158 -9.437 416 HG22 THR 53 1HG2 THR 53 3.640 4.937 -8.217 417 HG23 THR 53 2HG2 THR 53 3.466 6.492 -9.030 418 H SER 54 H SER 54 1.091 9.000 -9.737 419 HA SER 54 HA SER 54 -1.323 7.846 -10.558 420 HB2 SER 54 2HB SER 54 -2.698 8.630 -8.936 421 HB3 SER 54 3HB SER 54 -1.546 9.862 -8.421 422 HG SER 54 HG SER 54 -3.253 10.934 -9.313 423 HA PRO 55 HA PRO 55 -0.430 10.349 -14.053 424 HB2 PRO 55 2HB PRO 55 -2.874 10.468 -15.230 425 HB3 PRO 55 3HB PRO 55 -1.881 9.006 -15.225 426 HG2 PRO 55 2HG PRO 55 -4.187 9.734 -13.461 427 HG3 PRO 55 3HG PRO 55 -3.817 8.183 -14.237 428 HD2 PRO 55 2HD PRO 55 -3.279 8.674 -11.629 429 HD3 PRO 55 3HD PRO 55 -2.273 7.604 -12.626 430 HA PRO 56 HA PRO 56 -1.365 14.540 -13.039 431 HB2 PRO 56 2HB PRO 56 -0.779 15.701 -15.422 432 HB3 PRO 56 3HB PRO 56 0.462 15.100 -14.315 433 HG2 PRO 56 2HG PRO 56 -0.685 13.806 -16.759 434 HG3 PRO 56 3HG PRO 56 1.005 13.893 -16.227 435 HD2 PRO 56 2HD PRO 56 -0.527 11.689 -15.861 436 HD3 PRO 56 3HD PRO 56 0.751 12.164 -14.724 437 H SER 57 H SER 57 -3.181 15.720 -12.982 438 HA SER 57 HA SER 57 -4.826 16.354 -15.140 439 HB2 SER 57 2HB SER 57 -5.295 13.713 -14.086 440 HB3 SER 57 3HB SER 57 -6.710 14.729 -13.811 441 HG SER 57 HG SER 57 -5.707 13.716 -16.146 442 H ASP 58 H ASP 58 -5.644 15.236 -11.856 443 HA ASP 58 HA ASP 58 -6.147 18.011 -11.071 444 HB2 ASP 58 2HB ASP 58 -8.231 16.387 -11.813 445 HB3 ASP 58 3HB ASP 58 -8.174 16.135 -10.070 446 H ASP 59 H ASP 59 -5.010 18.372 -9.296 447 HA ASP 59 HA ASP 59 -4.566 16.144 -7.422 448 HB2 ASP 59 2HB ASP 59 -2.695 17.852 -6.630 449 HB3 ASP 59 3HB ASP 59 -2.426 16.758 -7.985 450 HA PRO 60 HA PRO 60 -7.401 18.996 -5.177 451 HB2 PRO 60 2HB PRO 60 -8.730 17.005 -3.896 452 HB3 PRO 60 3HB PRO 60 -9.152 17.549 -5.524 453 HG2 PRO 60 2HG PRO 60 -7.531 15.177 -4.679 454 HG3 PRO 60 3HG PRO 60 -8.779 15.291 -5.934 455 HD2 PRO 60 2HD PRO 60 -6.132 15.331 -6.503 456 HD3 PRO 60 3HD PRO 60 -7.329 16.218 -7.468 457 H TYR 61 H TYR 61 -5.034 16.690 -4.327 458 HA TYR 61 HA TYR 61 -5.093 17.574 -1.518 459 HB2 TYR 61 2HB TYR 61 -3.438 15.424 -1.476 460 HB3 TYR 61 3HB TYR 61 -5.170 15.338 -1.174 461 HD1 TYR 61 HD2 TYR 61 -2.611 14.978 -3.842 462 HD2 TYR 61 HD1 TYR 61 -6.564 14.060 -2.565 463 HE1 TYR 61 HE2 TYR 61 -2.857 13.429 -5.737 464 HE2 TYR 61 HE1 TYR 61 -6.822 12.508 -4.456 465 HH TYR 61 HH TYR 61 -5.074 11.109 -5.939 466 H GLY 62 H GLY 62 -3.525 18.050 -4.389 467 HA2 GLY 62 2HA GLY 62 -1.665 19.374 -4.806 468 HA3 GLY 62 3HA GLY 62 -1.325 19.385 -3.082 469 H SER 63 H SER 63 -1.596 16.760 -5.475 470 HA SER 63 HA SER 63 0.885 15.628 -4.434 471 HB2 SER 63 2HB SER 63 -0.821 13.997 -4.624 472 HB3 SER 63 3HB SER 63 -1.290 14.559 -6.229 473 HG SER 63 HG SER 63 -0.064 12.881 -6.735 474 H TRP 64 H TRP 64 -0.107 17.641 -6.922 475 HA TRP 64 HA TRP 64 2.441 17.240 -8.310 476 HB2 TRP 64 2HB TRP 64 -0.295 17.155 -9.546 477 HB3 TRP 64 3HB TRP 64 1.085 17.717 -10.484 478 HD1 TRP 64 HD1 TRP 64 -0.671 14.609 -9.462 479 HE1 TRP 64 HE1 TRP 64 0.670 12.542 -10.205 480 HE3 TRP 64 HE3 TRP 64 3.723 16.901 -10.718 481 HZ2 TRP 64 HZ2 TRP 64 3.250 11.960 -11.192 482 HZ3 TRP 64 HZ3 TRP 64 5.578 15.517 -11.553 483 HH2 TRP 64 HH2 TRP 64 5.344 13.098 -11.784 484 H GLU 65 H GLU 65 3.125 19.090 -9.566 485 HA GLU 65 HA GLU 65 1.696 21.586 -9.064 486 HB2 GLU 65 2HB GLU 65 3.536 21.015 -7.276 487 HB3 GLU 65 3HB GLU 65 4.640 21.546 -8.537 488 HG2 GLU 65 2HG GLU 65 3.354 23.685 -8.648 489 HG3 GLU 65 3HG GLU 65 2.457 23.145 -7.230 490 H TYR 66 H TYR 66 1.408 22.362 -11.046 491 HA TYR 66 HA TYR 66 3.096 21.733 -13.246 492 HB2 TYR 66 2HB TYR 66 0.831 22.160 -13.766 493 HB3 TYR 66 3HB TYR 66 0.823 23.673 -12.866 494 HD1 TYR 66 HD2 TYR 66 1.794 25.696 -13.826 495 HD2 TYR 66 HD1 TYR 66 1.721 22.048 -16.014 496 HE1 TYR 66 HE2 TYR 66 2.293 26.932 -15.892 497 HE2 TYR 66 HE1 TYR 66 2.221 23.273 -18.087 498 HH TYR 66 HH TYR 66 3.366 25.510 -18.670 499 H LEU 67 H LEU 67 5.083 22.510 -13.472 500 HA LEU 67 HA LEU 67 5.752 25.146 -12.412 501 HB2 LEU 67 2HB LEU 67 7.627 23.206 -13.735 502 HB3 LEU 67 3HB LEU 67 8.024 24.531 -12.643 503 HG LEU 67 HG LEU 67 6.490 22.084 -11.783 504 HD11 LEU 67 1HD1 LEU 67 9.395 22.529 -12.129 505 HD12 LEU 67 2HD1 LEU 67 8.453 21.040 -12.218 506 HD13 LEU 67 3HD1 LEU 67 8.874 21.726 -10.648 507 HD21 LEU 67 3HD2 LEU 67 7.489 24.538 -10.484 508 HD22 LEU 67 1HD2 LEU 67 7.730 23.034 -9.596 509 HD23 LEU 67 2HD2 LEU 67 6.106 23.519 -10.083 510 H GLY 68 H GLY 68 5.166 23.536 -15.414 511 HA2 GLY 68 2HA GLY 68 4.802 25.771 -16.951 512 HA3 GLY 68 3HA GLY 68 6.525 25.443 -17.074 513 H GLU 69 H GLU 69 5.942 25.213 -19.386 514 HA GLU 69 HA GLU 69 4.700 22.626 -20.004 515 HB2 GLU 69 2HB GLU 69 4.424 25.153 -21.170 516 HB3 GLU 69 3HB GLU 69 5.388 24.232 -22.315 517 HG2 GLU 69 2HG GLU 69 3.513 23.350 -23.079 518 HG3 GLU 69 3HG GLU 69 3.339 22.510 -21.539 519 H ALA 70 H ALA 70 5.692 21.264 -21.630 520 HA ALA 70 HA ALA 70 8.317 20.599 -21.123 521 HB1 ALA 70 1HB ALA 70 8.164 19.498 -23.477 522 HB2 ALA 70 2HB ALA 70 7.118 18.933 -22.175 523 HB3 ALA 70 3HB ALA 70 6.481 20.022 -23.407 524 H GLU 71 H GLU 71 7.107 22.385 -23.968 525 HA GLU 71 HA GLU 71 9.791 23.574 -24.231 526 HB2 GLU 71 2HB GLU 71 7.901 22.740 -26.437 527 HB3 GLU 71 3HB GLU 71 9.375 23.665 -26.687 528 HG2 GLU 71 2HG GLU 71 10.745 21.868 -26.123 529 HG3 GLU 71 3HG GLU 71 9.433 20.999 -25.328 530 HA PRO 72 HA PRO 72 7.191 27.192 -23.545 531 HB2 PRO 72 2HB PRO 72 9.271 28.864 -23.051 532 HB3 PRO 72 3HB PRO 72 8.621 27.755 -21.838 533 HG2 PRO 72 2HG PRO 72 11.034 27.450 -23.582 534 HG3 PRO 72 3HG PRO 72 10.843 27.073 -21.860 535 HD2 PRO 72 2HD PRO 72 10.749 25.172 -23.787 536 HD3 PRO 72 3HD PRO 72 9.806 25.059 -22.287 537 H THR 73 H THR 73 6.578 28.807 -24.897 538 HA THR 73 HA THR 73 7.695 28.861 -27.539 539 HB THR 73 HB THR 73 5.670 30.826 -26.493 540 HG1 THR 73 HG1 THR 73 4.203 29.055 -27.424 541 HG21 THR 73 3HG2 THR 73 6.676 31.054 -28.795 542 HG22 THR 73 1HG2 THR 73 4.918 30.919 -28.750 543 HG23 THR 73 2HG2 THR 73 5.898 29.524 -29.201 Start of MODEL 14 1 H1 GLY 1 H GLY 1 30.197 -0.857 2.834 2 HA2 GLY 1 2HA GLY 1 28.209 -0.979 0.866 3 HA3 GLY 1 3HA GLY 1 27.941 -0.550 2.549 4 HA PRO 2 HA PRO 2 28.815 3.566 0.131 5 HB2 PRO 2 2HB PRO 2 28.663 3.393 -2.574 6 HB3 PRO 2 3HB PRO 2 30.173 3.179 -1.681 7 HG2 PRO 2 2HG PRO 2 28.321 1.108 -2.794 8 HG3 PRO 2 3HG PRO 2 30.093 1.160 -2.832 9 HD2 PRO 2 2HD PRO 2 28.717 -0.355 -1.058 10 HD3 PRO 2 3HD PRO 2 30.287 0.379 -0.672 11 H SER 3 H SER 3 27.154 4.967 -0.060 12 HA SER 3 HA SER 3 24.775 4.307 -1.556 13 HB2 SER 3 2HB SER 3 24.056 3.195 0.386 14 HB3 SER 3 3HB SER 3 24.787 4.393 1.453 15 HG SER 3 HG SER 3 22.428 4.589 -0.080 16 H THR 4 H THR 4 23.342 6.102 -1.808 17 HA THR 4 HA THR 4 24.276 8.681 -0.798 18 HB THR 4 HB THR 4 23.838 9.570 -3.217 19 HG1 THR 4 HG1 THR 4 24.574 7.944 -4.761 20 HG21 THR 4 3HG2 THR 4 26.114 9.705 -3.525 21 HG22 THR 4 1HG2 THR 4 26.392 8.042 -3.007 22 HG23 THR 4 2HG2 THR 4 26.048 9.293 -1.812 23 H SER 5 H SER 5 22.633 9.935 -0.184 24 HA SER 5 HA SER 5 19.938 9.024 -0.497 25 HB2 SER 5 2HB SER 5 21.302 11.241 0.944 26 HB3 SER 5 3HB SER 5 19.589 11.451 0.582 27 HG SER 5 HG SER 5 20.453 10.234 2.616 28 H MET 6 H MET 6 18.408 9.676 -1.892 29 HA MET 6 HA MET 6 18.518 12.176 -3.275 30 HB2 MET 6 2HB MET 6 20.177 10.893 -4.575 31 HB3 MET 6 3HB MET 6 18.964 9.658 -4.889 32 HG2 MET 6 2HG MET 6 17.725 11.063 -6.283 33 HG3 MET 6 3HG MET 6 18.534 12.510 -5.690 34 HE1 MET 6 3HE MET 6 20.115 13.683 -6.845 35 HE2 MET 6 1HE MET 6 21.467 12.735 -6.223 36 HE3 MET 6 2HE MET 6 21.358 13.090 -7.947 37 H GLU 7 H GLU 7 16.567 12.710 -4.221 38 HA GLU 7 HA GLU 7 14.446 10.672 -4.063 39 HB2 GLU 7 2HB GLU 7 14.539 13.434 -2.962 40 HB3 GLU 7 3HB GLU 7 13.012 12.884 -3.634 41 HG2 GLU 7 2HG GLU 7 13.423 10.798 -2.126 42 HG3 GLU 7 3HG GLU 7 14.503 11.887 -1.256 43 H ASN 8 H ASN 8 15.172 13.895 -5.406 44 HA ASN 8 HA ASN 8 13.318 13.573 -7.564 45 HB2 ASN 8 2HB ASN 8 13.755 15.799 -6.738 46 HB3 ASN 8 3HB ASN 8 15.480 15.623 -7.049 47 HD21 ASN 8 1HD2 ASN 8 12.382 15.387 -8.761 48 HD22 ASN 8 2HD2 ASN 8 12.925 16.170 -10.201 49 H LEU 9 H LEU 9 14.311 11.440 -8.185 50 HA LEU 9 HA LEU 9 16.754 11.688 -9.765 51 HB2 LEU 9 2HB LEU 9 16.596 9.236 -9.971 52 HB3 LEU 9 3HB LEU 9 16.656 9.792 -8.300 53 HG LEU 9 HG LEU 9 13.924 9.530 -9.049 54 HD11 LEU 9 1HD1 LEU 9 13.742 7.260 -9.697 55 HD12 LEU 9 2HD1 LEU 9 15.472 6.990 -9.494 56 HD13 LEU 9 3HD1 LEU 9 14.889 8.011 -10.806 57 HD21 LEU 9 3HD2 LEU 9 13.869 8.008 -7.182 58 HD22 LEU 9 1HD2 LEU 9 14.915 9.373 -6.786 59 HD23 LEU 9 2HD2 LEU 9 15.623 7.821 -7.235 60 H VAL 10 H VAL 10 13.834 12.594 -10.398 61 HA VAL 10 HA VAL 10 12.799 11.184 -12.536 62 HB VAL 10 HB VAL 10 11.774 13.197 -11.404 63 HG11 VAL 10 1HG1 VAL 10 12.411 15.342 -11.883 64 HG12 VAL 10 2HG1 VAL 10 13.977 14.532 -11.971 65 HG13 VAL 10 3HG1 VAL 10 13.094 14.907 -13.451 66 HG21 VAL 10 3HG2 VAL 10 11.015 12.071 -13.578 67 HG22 VAL 10 1HG2 VAL 10 10.405 13.690 -13.237 68 HG23 VAL 10 2HG2 VAL 10 11.718 13.467 -14.393 69 H SER 11 H SER 11 15.584 13.269 -12.414 70 HA SER 11 HA SER 11 15.835 13.645 -15.233 71 HB2 SER 11 2HB SER 11 18.360 14.046 -14.287 72 HB3 SER 11 3HB SER 11 17.090 15.270 -14.267 73 HG SER 11 HG SER 11 18.292 14.694 -12.215 74 H LEU 12 H LEU 12 17.300 11.431 -12.888 75 HA LEU 12 HA LEU 12 18.545 9.955 -15.101 76 HB2 LEU 12 2HB LEU 12 19.575 10.748 -12.692 77 HB3 LEU 12 3HB LEU 12 19.124 9.076 -12.370 78 HG LEU 12 HG LEU 12 21.437 9.161 -13.012 79 HD11 LEU 12 1HD1 LEU 12 20.132 7.246 -13.790 80 HD12 LEU 12 2HD1 LEU 12 21.422 7.651 -14.922 81 HD13 LEU 12 3HD1 LEU 12 19.757 8.107 -15.284 82 HD21 LEU 12 3HD2 LEU 12 20.898 10.121 -15.753 83 HD22 LEU 12 1HD2 LEU 12 22.303 10.367 -14.717 84 HD23 LEU 12 2HD2 LEU 12 20.848 11.331 -14.469 85 H GLN 13 H GLN 13 15.688 9.844 -14.458 86 HA GLN 13 HA GLN 13 15.143 7.384 -13.122 87 HB2 GLN 13 2HB GLN 13 13.619 9.496 -14.434 88 HB3 GLN 13 3HB GLN 13 12.952 7.898 -14.740 89 HG2 GLN 13 2HG GLN 13 12.860 7.481 -12.329 90 HG3 GLN 13 3HG GLN 13 13.504 9.097 -12.035 91 HE21 GLN 13 1HE2 GLN 13 11.499 9.251 -10.761 92 HE22 GLN 13 2HE2 GLN 13 10.056 9.758 -11.567 93 H ASN 14 H ASN 14 15.909 8.280 -16.387 94 HA ASN 14 HA ASN 14 16.512 5.678 -17.199 95 HB2 ASN 14 2HB ASN 14 14.611 5.456 -18.917 96 HB3 ASN 14 3HB ASN 14 14.239 5.070 -17.240 97 HD21 ASN 14 1HD2 ASN 14 12.282 5.723 -16.757 98 HD22 ASN 14 2HD2 ASN 14 11.556 7.217 -17.231 99 H LEU 15 H LEU 15 18.064 7.684 -17.533 100 HA LEU 15 HA LEU 15 18.144 8.101 -20.394 101 HB2 LEU 15 2HB LEU 15 17.986 10.417 -18.473 102 HB3 LEU 15 3HB LEU 15 18.451 10.554 -20.167 103 HG LEU 15 HG LEU 15 15.762 9.580 -19.208 104 HD11 LEU 15 1HD1 LEU 15 16.524 12.072 -18.827 105 HD12 LEU 15 2HD1 LEU 15 14.907 11.687 -19.415 106 HD13 LEU 15 3HD1 LEU 15 16.155 12.206 -20.547 107 HD21 LEU 15 3HD2 LEU 15 15.383 9.007 -21.317 108 HD22 LEU 15 1HD2 LEU 15 17.065 9.376 -21.698 109 HD23 LEU 15 2HD2 LEU 15 15.828 10.622 -21.869 110 H LEU 16 H LEU 16 20.088 7.106 -20.573 111 HA LEU 16 HA LEU 16 22.335 8.313 -19.100 112 HB2 LEU 16 2HB LEU 16 21.775 5.997 -18.375 113 HB3 LEU 16 3HB LEU 16 22.131 5.449 -20.013 114 HG LEU 16 HG LEU 16 24.450 6.685 -19.419 115 HD11 LEU 16 1HD1 LEU 16 25.021 5.902 -17.087 116 HD12 LEU 16 2HD1 LEU 16 23.288 5.726 -16.819 117 HD13 LEU 16 3HD1 LEU 16 23.964 7.310 -17.196 118 HD21 LEU 16 3HD2 LEU 16 23.761 3.857 -18.632 119 HD22 LEU 16 1HD2 LEU 16 25.361 4.485 -19.028 120 HD23 LEU 16 2HD2 LEU 16 24.116 4.393 -20.274 121 H VAL 17 H VAL 17 21.814 9.580 -21.312 122 HA VAL 17 HA VAL 17 23.617 8.454 -23.356 123 HB VAL 17 HB VAL 17 22.435 9.724 -25.040 124 HG11 VAL 17 1HG1 VAL 17 20.239 8.438 -23.471 125 HG12 VAL 17 2HG1 VAL 17 20.557 8.386 -25.206 126 HG13 VAL 17 3HG1 VAL 17 21.571 7.465 -24.094 127 HG21 VAL 17 3HG2 VAL 17 21.848 11.666 -23.669 128 HG22 VAL 17 1HG2 VAL 17 20.440 11.028 -24.518 129 HG23 VAL 17 2HG2 VAL 17 20.659 10.695 -22.800 130 H TYR 18 H TYR 18 24.184 10.566 -24.881 131 HA TYR 18 HA TYR 18 25.581 12.381 -23.035 132 HB2 TYR 18 2HB TYR 18 26.364 11.019 -25.505 133 HB3 TYR 18 3HB TYR 18 26.765 12.733 -25.499 134 HD1 TYR 18 HD2 TYR 18 27.813 13.516 -23.124 135 HD2 TYR 18 HD1 TYR 18 28.004 9.591 -24.755 136 HE1 TYR 18 HE2 TYR 18 29.802 13.050 -21.755 137 HE2 TYR 18 HE1 TYR 18 29.992 9.114 -23.390 138 HH TYR 18 HH TYR 18 30.885 10.781 -20.796 139 H VAL 19 H VAL 19 24.026 13.957 -22.783 140 HA VAL 19 HA VAL 19 23.936 16.015 -24.684 141 HB VAL 19 HB VAL 19 22.479 14.562 -25.971 142 HG11 VAL 19 1HG1 VAL 19 20.908 13.240 -25.100 143 HG12 VAL 19 2HG1 VAL 19 21.598 13.644 -23.527 144 HG13 VAL 19 3HG1 VAL 19 20.217 14.552 -24.145 145 HG21 VAL 19 3HG2 VAL 19 22.009 16.938 -26.050 146 HG22 VAL 19 1HG2 VAL 19 20.501 16.026 -26.129 147 HG23 VAL 19 2HG2 VAL 19 20.980 16.808 -24.623 148 H ASN 20 H ASN 20 22.425 14.420 -21.951 149 HA ASN 20 HA ASN 20 21.650 15.209 -19.963 150 HB2 ASN 20 2HB ASN 20 23.811 16.625 -20.248 151 HB3 ASN 20 3HB ASN 20 22.706 17.943 -20.626 152 HD21 ASN 20 1HD2 ASN 20 24.445 17.957 -18.451 153 HD22 ASN 20 2HD2 ASN 20 23.510 17.931 -16.998 154 H TRP 21 H TRP 21 19.863 15.139 -22.056 155 HA TRP 21 HA TRP 21 17.803 16.817 -21.123 156 HB2 TRP 21 2HB TRP 21 18.837 18.638 -22.247 157 HB3 TRP 21 3HB TRP 21 19.168 17.662 -23.676 158 HD1 TRP 21 HD1 TRP 21 15.826 18.345 -21.804 159 HE1 TRP 21 HE1 TRP 21 14.107 19.154 -23.540 160 HE3 TRP 21 HE3 TRP 21 18.811 18.362 -25.956 161 HZ2 TRP 21 HZ2 TRP 21 14.025 19.723 -26.304 162 HZ3 TRP 21 HZ3 TRP 21 17.834 19.051 -28.107 163 HH2 TRP 21 HH2 TRP 21 15.491 19.717 -28.275 164 H SER 22 H SER 22 18.456 15.955 -24.500 165 HA SER 22 HA SER 22 17.190 14.741 -25.974 166 HB2 SER 22 2HB SER 22 17.716 12.914 -23.653 167 HB3 SER 22 3HB SER 22 16.739 12.348 -25.007 168 HG SER 22 HG SER 22 18.450 12.388 -26.286 169 H SER 23 H SER 23 15.630 16.542 -24.459 170 HA SER 23 HA SER 23 13.438 17.054 -24.114 171 HB2 SER 23 2HB SER 23 12.694 14.329 -25.170 172 HB3 SER 23 3HB SER 23 11.755 15.821 -25.233 173 HG SER 23 HG SER 23 12.691 16.245 -27.054 174 H TYR 24 H TYR 24 12.512 17.121 -22.182 175 HA TYR 24 HA TYR 24 13.118 15.472 -20.064 176 HB2 TYR 24 2HB TYR 24 10.899 17.387 -20.619 177 HB3 TYR 24 3HB TYR 24 10.761 16.346 -19.207 178 HD1 TYR 24 HD1 TYR 24 13.929 17.717 -20.533 179 HD2 TYR 24 HD2 TYR 24 10.940 18.005 -17.517 180 HE1 TYR 24 HE1 TYR 24 15.367 19.257 -19.264 181 HE2 TYR 24 HE2 TYR 24 12.370 19.547 -16.241 182 HH TYR 24 HH TYR 24 14.594 21.257 -17.252 183 HA PRO 25 HA PRO 25 10.837 11.751 -20.560 184 HB2 PRO 25 2HB PRO 25 10.422 11.081 -17.963 185 HB3 PRO 25 3HB PRO 25 12.001 10.954 -18.748 186 HG2 PRO 25 2HG PRO 25 10.943 13.106 -16.955 187 HG3 PRO 25 3HG PRO 25 12.545 12.344 -16.964 188 HD2 PRO 25 2HD PRO 25 12.079 14.768 -18.078 189 HD3 PRO 25 3HD PRO 25 13.290 13.640 -18.720 190 H LYS 26 H LYS 26 8.764 11.223 -20.922 191 HA LYS 26 HA LYS 26 6.685 13.039 -20.057 192 HB2 LYS 26 2HB LYS 26 5.747 12.432 -21.987 193 HB3 LYS 26 3HB LYS 26 7.090 11.333 -22.273 194 HG2 LYS 26 2HG LYS 26 5.864 9.591 -21.002 195 HG3 LYS 26 3HG LYS 26 4.493 10.697 -20.890 196 HD2 LYS 26 2HD LYS 26 4.550 10.817 -23.416 197 HD3 LYS 26 3HD LYS 26 5.692 9.473 -23.367 198 HE2 LYS 26 2HE LYS 26 3.021 9.342 -22.000 199 HE3 LYS 26 3HE LYS 26 3.218 8.918 -23.700 200 HZ1 LYS 26 3HZ LYS 26 5.211 7.586 -22.309 201 HZ2 LYS 26 1HZ LYS 26 3.842 6.913 -23.040 202 HZ3 LYS 26 2HZ LYS 26 3.794 7.368 -21.413 203 H TYR 27 H TYR 27 4.693 12.298 -19.070 204 HA TYR 27 HA TYR 27 4.999 10.990 -16.683 205 HB2 TYR 27 2HB TYR 27 2.950 11.904 -16.581 206 HB3 TYR 27 3HB TYR 27 2.748 11.844 -18.328 207 HD1 TYR 27 HD2 TYR 27 2.611 9.668 -15.303 208 HD2 TYR 27 HD1 TYR 27 1.202 10.376 -19.255 209 HE1 TYR 27 HE2 TYR 27 0.987 7.839 -15.045 210 HE2 TYR 27 HE1 TYR 27 -0.428 8.551 -19.007 211 HH TYR 27 HH TYR 27 -1.579 7.341 -17.218 212 H GLU 28 H GLU 28 5.477 8.972 -16.159 213 HA GLU 28 HA GLU 28 4.677 6.811 -17.997 214 HB2 GLU 28 2HB GLU 28 7.252 7.518 -17.366 215 HB3 GLU 28 3HB GLU 28 6.930 6.237 -16.206 216 HG2 GLU 28 2HG GLU 28 5.966 5.171 -18.533 217 HG3 GLU 28 3HG GLU 28 7.362 6.098 -19.083 218 HA PRO 29 HA PRO 29 2.344 5.703 -14.312 219 HB2 PRO 29 2HB PRO 29 0.834 3.825 -15.560 220 HB3 PRO 29 3HB PRO 29 0.498 5.557 -15.671 221 HG2 PRO 29 2HG PRO 29 1.910 3.774 -17.617 222 HG3 PRO 29 3HG PRO 29 0.708 5.040 -17.928 223 HD2 PRO 29 2HD PRO 29 3.364 5.437 -18.271 224 HD3 PRO 29 3HD PRO 29 2.263 6.733 -17.762 225 H GLY 30 H GLY 30 3.030 4.320 -12.805 226 HA2 GLY 30 2HA GLY 30 3.381 2.060 -12.058 227 HA3 GLY 30 3HA GLY 30 4.002 1.674 -13.655 228 H LYS 31 H LYS 31 5.003 4.629 -12.180 229 HA LYS 31 HA LYS 31 7.488 3.421 -11.212 230 HB2 LYS 31 2HB LYS 31 8.199 4.032 -13.363 231 HB3 LYS 31 3HB LYS 31 7.246 5.510 -13.358 232 HG2 LYS 31 2HG LYS 31 8.839 6.694 -12.292 233 HG3 LYS 31 3HG LYS 31 9.340 5.327 -11.294 234 HD2 LYS 31 2HD LYS 31 9.995 4.689 -13.966 235 HD3 LYS 31 3HD LYS 31 10.534 6.346 -13.683 236 HE2 LYS 31 2HE LYS 31 12.370 5.171 -12.966 237 HE3 LYS 31 3HE LYS 31 11.473 5.329 -11.457 238 HZ1 LYS 31 3HZ LYS 31 11.965 3.110 -11.458 239 HZ2 LYS 31 1HZ LYS 31 11.872 2.959 -13.141 240 HZ3 LYS 31 2HZ LYS 31 10.456 3.073 -12.222 241 H GLU 32 H GLU 32 7.765 4.080 -9.193 242 HA GLU 32 HA GLU 32 6.326 5.972 -7.838 243 HB2 GLU 32 2HB GLU 32 8.653 4.392 -7.335 244 HB3 GLU 32 3HB GLU 32 8.944 6.018 -6.734 245 HG2 GLU 32 2HG GLU 32 6.742 4.132 -5.961 246 HG3 GLU 32 3HG GLU 32 8.034 4.771 -4.948 247 H TYR 33 H TYR 33 6.431 8.134 -7.467 248 HA TYR 33 HA TYR 33 8.534 9.639 -8.878 249 HB2 TYR 33 2HB TYR 33 5.572 10.186 -8.746 250 HB3 TYR 33 3HB TYR 33 6.739 11.423 -9.197 251 HD1 TYR 33 HD2 TYR 33 8.385 10.738 -11.139 252 HD2 TYR 33 HD1 TYR 33 4.620 8.896 -10.413 253 HE1 TYR 33 HE2 TYR 33 8.329 9.949 -13.468 254 HE2 TYR 33 HE1 TYR 33 4.554 8.099 -12.739 255 HH TYR 33 HH TYR 33 7.281 8.240 -14.807 256 H ASN 34 H ASN 34 9.805 10.435 -7.330 257 HA ASN 34 HA ASN 34 8.817 11.115 -4.720 258 HB2 ASN 34 2HB ASN 34 11.521 11.924 -5.744 259 HB3 ASN 34 3HB ASN 34 11.050 11.454 -4.115 260 HD21 ASN 34 1HD2 ASN 34 11.412 9.436 -3.497 261 HD22 ASN 34 2HD2 ASN 34 11.852 8.131 -4.540 262 H GLN 35 H GLN 35 9.353 13.280 -3.746 263 HA GLN 35 HA GLN 35 7.963 15.311 -5.067 264 HB2 GLN 35 2HB GLN 35 8.507 16.702 -3.249 265 HB3 GLN 35 3HB GLN 35 8.455 15.080 -2.571 266 HG2 GLN 35 2HG GLN 35 11.057 15.223 -3.206 267 HG3 GLN 35 3HG GLN 35 10.724 16.927 -2.901 268 HE21 GLN 35 1HE2 GLN 35 8.839 16.728 -0.905 269 HE22 GLN 35 2HE2 GLN 35 9.571 16.059 0.509 270 H GLY 36 H GLY 36 8.541 16.962 -6.380 271 HA2 GLY 36 2HA GLY 36 10.067 18.519 -7.322 272 HA3 GLY 36 3HA GLY 36 11.392 17.467 -6.845 273 H ASP 37 H ASP 37 9.860 15.117 -7.948 274 HA ASP 37 HA ASP 37 11.105 14.941 -10.430 275 HB2 ASP 37 2HB ASP 37 8.764 13.454 -9.249 276 HB3 ASP 37 3HB ASP 37 9.413 13.063 -10.839 277 H ILE 38 H ILE 38 10.568 15.484 -12.470 278 HA ILE 38 HA ILE 38 7.902 16.655 -12.918 279 HB ILE 38 HB ILE 38 10.521 17.670 -14.029 280 HG12 ILE 38 2HG1 ILE 38 8.865 19.572 -12.596 281 HG13 ILE 38 3HG1 ILE 38 9.277 18.195 -11.578 282 HG21 ILE 38 1HG2 ILE 38 8.542 19.527 -14.565 283 HG22 ILE 38 2HG2 ILE 38 9.288 18.425 -15.722 284 HG23 ILE 38 3HG2 ILE 38 7.781 17.977 -14.924 285 HD11 ILE 38 3HD1 ILE 38 11.146 20.093 -12.963 286 HD12 ILE 38 1HD1 ILE 38 10.938 19.835 -11.231 287 HD13 ILE 38 2HD1 ILE 38 11.673 18.579 -12.228 288 H VAL 39 H VAL 39 6.852 16.033 -14.726 289 HA VAL 39 HA VAL 39 8.332 14.580 -16.799 290 HB VAL 39 HB VAL 39 6.787 12.769 -16.877 291 HG11 VAL 39 1HG1 VAL 39 8.525 12.447 -15.258 292 HG12 VAL 39 2HG1 VAL 39 7.622 13.350 -14.039 293 HG13 VAL 39 3HG1 VAL 39 7.028 11.785 -14.601 294 HG21 VAL 39 3HG2 VAL 39 5.159 14.509 -15.104 295 HG22 VAL 39 1HG2 VAL 39 4.667 13.505 -16.469 296 HG23 VAL 39 2HG2 VAL 39 5.013 12.762 -14.907 297 H GLU 40 H GLU 40 7.323 14.553 -18.852 298 HA GLU 40 HA GLU 40 5.586 16.836 -19.293 299 HB2 GLU 40 2HB GLU 40 7.476 16.595 -20.775 300 HB3 GLU 40 3HB GLU 40 6.988 14.959 -21.198 301 HG2 GLU 40 2HG GLU 40 4.925 16.951 -21.714 302 HG3 GLU 40 3HG GLU 40 6.411 17.222 -22.620 303 H TYR 41 H TYR 41 3.488 16.765 -19.866 304 HA TYR 41 HA TYR 41 2.298 14.177 -20.566 305 HB2 TYR 41 2HB TYR 41 1.972 14.556 -18.134 306 HB3 TYR 41 3HB TYR 41 1.135 16.060 -18.503 307 HD1 TYR 41 HD2 TYR 41 0.977 12.384 -19.036 308 HD2 TYR 41 HD1 TYR 41 -1.165 16.060 -18.952 309 HE1 TYR 41 HE2 TYR 41 -1.141 11.148 -19.233 310 HE2 TYR 41 HE1 TYR 41 -3.288 14.834 -19.147 311 HH TYR 41 HH TYR 41 -3.345 11.301 -19.476 312 H ASN 42 H ASN 42 1.441 14.464 -22.510 313 HA ASN 42 HA ASN 42 0.381 15.395 -24.298 314 HB2 ASN 42 2HB ASN 42 -1.194 16.482 -21.974 315 HB3 ASN 42 3HB ASN 42 -1.625 16.886 -23.633 316 HD21 ASN 42 1HD2 ASN 42 -0.459 13.888 -22.149 317 HD22 ASN 42 2HD2 ASN 42 -1.797 12.917 -22.650 318 H GLY 43 H GLY 43 2.766 16.677 -23.580 319 HA2 GLY 43 2HA GLY 43 3.901 18.536 -24.364 320 HA3 GLY 43 3HA GLY 43 2.365 19.213 -24.882 321 H LYS 44 H LYS 44 2.481 18.170 -21.631 322 HA LYS 44 HA LYS 44 2.703 20.973 -20.755 323 HB2 LYS 44 2HB LYS 44 0.596 19.296 -20.383 324 HB3 LYS 44 3HB LYS 44 1.510 19.001 -18.910 325 HG2 LYS 44 2HG LYS 44 0.787 20.894 -18.020 326 HG3 LYS 44 3HG LYS 44 1.355 21.820 -19.412 327 HD2 LYS 44 2HD LYS 44 -1.271 20.341 -19.256 328 HD3 LYS 44 3HD LYS 44 -1.067 22.079 -19.029 329 HE2 LYS 44 2HE LYS 44 -1.095 22.424 -21.225 330 HE3 LYS 44 3HE LYS 44 0.188 21.241 -21.474 331 HZ1 LYS 44 3HZ LYS 44 -1.486 20.265 -22.635 332 HZ2 LYS 44 1HZ LYS 44 -2.712 20.907 -21.661 333 HZ3 LYS 44 2HZ LYS 44 -1.804 19.588 -21.117 334 H LEU 45 H LEU 45 3.167 20.842 -18.165 335 HA LEU 45 HA LEU 45 5.328 18.965 -17.625 336 HB2 LEU 45 2HB LEU 45 5.664 21.880 -18.055 337 HB3 LEU 45 3HB LEU 45 6.574 21.145 -16.738 338 HG LEU 45 HG LEU 45 6.724 20.366 -19.649 339 HD11 LEU 45 1HD1 LEU 45 8.006 22.428 -18.161 340 HD12 LEU 45 2HD1 LEU 45 8.231 21.974 -19.851 341 HD13 LEU 45 3HD1 LEU 45 9.202 21.207 -18.595 342 HD21 LEU 45 3HD2 LEU 45 8.084 19.288 -17.191 343 HD22 LEU 45 1HD2 LEU 45 8.702 19.034 -18.823 344 HD23 LEU 45 2HD2 LEU 45 7.114 18.411 -18.375 345 H TYR 46 H TYR 46 4.723 18.110 -15.752 346 HA TYR 46 HA TYR 46 3.658 19.904 -13.670 347 HB2 TYR 46 2HB TYR 46 3.104 16.958 -14.078 348 HB3 TYR 46 3HB TYR 46 2.472 17.941 -12.761 349 HD1 TYR 46 HD1 TYR 46 0.727 19.599 -13.172 350 HD2 TYR 46 HD2 TYR 46 2.202 17.140 -16.315 351 HE1 TYR 46 HE1 TYR 46 -1.212 20.214 -14.555 352 HE2 TYR 46 HE2 TYR 46 0.268 17.749 -17.708 353 HH TYR 46 HH TYR 46 -2.473 19.014 -16.592 354 H LYS 47 H LYS 47 4.216 19.402 -11.468 355 HA LYS 47 HA LYS 47 6.645 17.775 -11.165 356 HB2 LYS 47 2HB LYS 47 7.449 20.024 -11.257 357 HB3 LYS 47 3HB LYS 47 6.184 20.588 -10.173 358 HG2 LYS 47 2HG LYS 47 7.258 19.861 -8.311 359 HG3 LYS 47 3HG LYS 47 8.028 18.509 -9.146 360 HD2 LYS 47 2HD LYS 47 9.882 19.774 -9.014 361 HD3 LYS 47 3HD LYS 47 9.184 20.633 -10.389 362 HE2 LYS 47 2HE LYS 47 9.816 22.277 -8.798 363 HE3 LYS 47 3HE LYS 47 8.059 22.153 -8.732 364 HZ1 LYS 47 3HZ LYS 47 8.765 22.194 -6.518 365 HZ2 LYS 47 1HZ LYS 47 10.040 21.117 -6.795 366 HZ3 LYS 47 2HZ LYS 47 8.444 20.561 -6.820 367 H ALA 48 H ALA 48 6.368 16.268 -9.669 368 HA ALA 48 HA ALA 48 4.097 16.103 -8.019 369 HB1 ALA 48 1HB ALA 48 5.366 14.142 -8.742 370 HB2 ALA 48 2HB ALA 48 6.726 14.651 -7.740 371 HB3 ALA 48 3HB ALA 48 5.199 14.192 -6.986 372 H LYS 49 H LYS 49 3.644 17.329 -6.322 373 HA LYS 49 HA LYS 49 5.444 19.018 -5.010 374 HB2 LYS 49 2HB LYS 49 2.916 17.919 -3.784 375 HB3 LYS 49 3HB LYS 49 3.691 19.462 -3.451 376 HG2 LYS 49 2HG LYS 49 3.235 19.974 -5.936 377 HG3 LYS 49 3HG LYS 49 2.093 18.632 -5.840 378 HD2 LYS 49 2HD LYS 49 0.614 19.833 -4.655 379 HD3 LYS 49 3HD LYS 49 1.867 20.532 -3.628 380 HE2 LYS 49 2HE LYS 49 2.459 21.969 -5.669 381 HE3 LYS 49 3HE LYS 49 0.899 21.463 -6.313 382 HZ1 LYS 49 3HZ LYS 49 0.411 23.427 -5.230 383 HZ2 LYS 49 1HZ LYS 49 1.470 23.124 -3.946 384 HZ3 LYS 49 2HZ LYS 49 0.010 22.276 -4.058 385 H TYR 50 H TYR 50 4.155 15.856 -4.019 386 HA TYR 50 HA TYR 50 6.537 15.462 -2.373 387 HB2 TYR 50 2HB TYR 50 5.324 14.829 -0.421 388 HB3 TYR 50 3HB TYR 50 4.674 16.381 -0.935 389 HD1 TYR 50 HD1 TYR 50 2.611 16.131 -2.644 390 HD2 TYR 50 HD2 TYR 50 3.804 13.225 0.224 391 HE1 TYR 50 HE1 TYR 50 0.345 15.176 -2.679 392 HE2 TYR 50 HE2 TYR 50 1.542 12.260 0.198 393 HH TYR 50 HH TYR 50 -0.873 13.250 -0.402 394 H TRP 51 H TRP 51 6.465 13.127 -1.440 395 HA TRP 51 HA TRP 51 6.624 11.318 -3.504 396 HB2 TRP 51 2HB TRP 51 7.226 11.215 -0.880 397 HB3 TRP 51 3HB TRP 51 5.783 10.206 -0.888 398 HD1 TRP 51 HD1 TRP 51 9.216 10.387 -2.681 399 HE1 TRP 51 HE1 TRP 51 9.940 7.983 -3.249 400 HE3 TRP 51 HE3 TRP 51 5.052 7.887 -1.084 401 HZ2 TRP 51 HZ2 TRP 51 8.884 5.372 -3.047 402 HZ3 TRP 51 HZ3 TRP 51 4.989 5.437 -1.308 403 HH2 TRP 51 HH2 TRP 51 6.866 4.208 -2.270 404 H THR 52 H THR 52 5.098 10.679 -4.866 405 HA THR 52 HA THR 52 2.671 9.481 -3.901 406 HB THR 52 HB THR 52 2.343 11.878 -5.707 407 HG1 THR 52 HG1 THR 52 2.782 12.876 -3.846 408 HG21 THR 52 3HG2 THR 52 0.389 10.805 -6.041 409 HG22 THR 52 1HG2 THR 52 -0.032 11.445 -4.453 410 HG23 THR 52 2HG2 THR 52 0.580 9.799 -4.606 411 H THR 53 H THR 53 1.510 8.354 -5.547 412 HA THR 53 HA THR 53 2.940 8.112 -8.110 413 HB THR 53 HB THR 53 1.697 5.617 -7.394 414 HG1 THR 53 HG1 THR 53 3.000 5.122 -5.593 415 HG21 THR 53 3HG2 THR 53 3.340 5.323 -8.935 416 HG22 THR 53 1HG2 THR 53 4.323 5.070 -7.494 417 HG23 THR 53 2HG2 THR 53 4.323 6.641 -8.297 418 H SER 54 H SER 54 1.571 8.922 -9.568 419 HA SER 54 HA SER 54 -0.768 7.639 -10.334 420 HB2 SER 54 2HB SER 54 -2.126 8.322 -8.627 421 HB3 SER 54 3HB SER 54 -1.143 9.743 -8.273 422 HG SER 54 HG SER 54 -3.323 10.030 -9.292 423 HA PRO 55 HA PRO 55 -0.051 10.170 -13.850 424 HB2 PRO 55 2HB PRO 55 -2.482 10.051 -15.052 425 HB3 PRO 55 3HB PRO 55 -1.358 8.687 -15.020 426 HG2 PRO 55 2HG PRO 55 -3.741 9.219 -13.289 427 HG3 PRO 55 3HG PRO 55 -3.222 7.700 -14.042 428 HD2 PRO 55 2HD PRO 55 -2.759 8.265 -11.434 429 HD3 PRO 55 3HD PRO 55 -1.649 7.282 -12.410 430 HA PRO 56 HA PRO 56 -1.388 14.279 -12.993 431 HB2 PRO 56 2HB PRO 56 -1.097 15.395 -15.451 432 HB3 PRO 56 3HB PRO 56 0.275 14.971 -14.419 433 HG2 PRO 56 2HG PRO 56 -0.895 13.465 -16.726 434 HG3 PRO 56 3HG PRO 56 0.808 13.749 -16.324 435 HD2 PRO 56 2HD PRO 56 -0.451 11.416 -15.772 436 HD3 PRO 56 3HD PRO 56 0.846 12.067 -14.749 437 H SER 57 H SER 57 -3.310 15.266 -12.842 438 HA SER 57 HA SER 57 -5.161 15.632 -14.896 439 HB2 SER 57 2HB SER 57 -6.896 13.980 -13.620 440 HB3 SER 57 3HB SER 57 -5.976 13.516 -15.052 441 HG SER 57 HG SER 57 -5.383 11.960 -13.728 442 H ASP 58 H ASP 58 -5.697 14.565 -11.541 443 HA ASP 58 HA ASP 58 -6.372 17.315 -10.800 444 HB2 ASP 58 2HB ASP 58 -8.456 16.017 -11.472 445 HB3 ASP 58 3HB ASP 58 -8.169 15.008 -10.057 446 H ASP 59 H ASP 59 -5.217 17.821 -9.074 447 HA ASP 59 HA ASP 59 -4.486 15.682 -7.186 448 HB2 ASP 59 2HB ASP 59 -2.757 17.591 -6.511 449 HB3 ASP 59 3HB ASP 59 -2.436 16.472 -7.834 450 HA PRO 60 HA PRO 60 -7.473 18.309 -4.864 451 HB2 PRO 60 2HB PRO 60 -8.560 16.232 -3.495 452 HB3 PRO 60 3HB PRO 60 -9.098 16.703 -5.111 453 HG2 PRO 60 2HG PRO 60 -7.234 14.505 -4.301 454 HG3 PRO 60 3HG PRO 60 -8.538 14.480 -5.502 455 HD2 PRO 60 2HD PRO 60 -5.932 14.749 -6.187 456 HD3 PRO 60 3HD PRO 60 -7.246 15.505 -7.112 457 H TYR 61 H TYR 61 -4.886 16.221 -4.076 458 HA TYR 61 HA TYR 61 -4.896 17.172 -1.287 459 HB2 TYR 61 2HB TYR 61 -3.072 15.157 -1.280 460 HB3 TYR 61 3HB TYR 61 -4.774 14.950 -0.880 461 HD1 TYR 61 HD2 TYR 61 -2.516 14.938 -3.859 462 HD2 TYR 61 HD1 TYR 61 -5.964 13.302 -1.978 463 HE1 TYR 61 HE2 TYR 61 -2.746 13.323 -5.699 464 HE2 TYR 61 HE1 TYR 61 -6.203 11.682 -3.812 465 HH TYR 61 HH TYR 61 -4.784 11.968 -6.716 466 H GLY 62 H GLY 62 -3.501 17.709 -4.230 467 HA2 GLY 62 2HA GLY 62 -1.776 19.179 -4.744 468 HA3 GLY 62 3HA GLY 62 -1.342 19.219 -3.042 469 H SER 63 H SER 63 -1.557 16.564 -5.405 470 HA SER 63 HA SER 63 1.037 15.601 -4.496 471 HB2 SER 63 2HB SER 63 0.523 13.566 -5.676 472 HB3 SER 63 3HB SER 63 -0.922 14.052 -4.789 473 HG SER 63 HG SER 63 -1.806 14.816 -6.692 474 H TRP 64 H TRP 64 -0.221 17.526 -6.963 475 HA TRP 64 HA TRP 64 2.323 17.369 -8.412 476 HB2 TRP 64 2HB TRP 64 -0.428 17.066 -9.583 477 HB3 TRP 64 3HB TRP 64 0.893 17.716 -10.551 478 HD1 TRP 64 HD1 TRP 64 -0.581 14.492 -9.370 479 HE1 TRP 64 HE1 TRP 64 0.870 12.520 -10.166 480 HE3 TRP 64 HE3 TRP 64 3.515 17.095 -10.977 481 HZ2 TRP 64 HZ2 TRP 64 3.414 12.122 -11.322 482 HZ3 TRP 64 HZ3 TRP 64 5.415 15.844 -11.914 483 HH2 TRP 64 HH2 TRP 64 5.364 13.408 -12.083 484 H GLU 65 H GLU 65 2.727 19.271 -9.775 485 HA GLU 65 HA GLU 65 1.124 21.629 -9.177 486 HB2 GLU 65 2HB GLU 65 3.041 21.263 -7.449 487 HB3 GLU 65 3HB GLU 65 4.087 21.806 -8.753 488 HG2 GLU 65 2HG GLU 65 2.882 23.904 -8.884 489 HG3 GLU 65 3HG GLU 65 1.767 23.361 -7.632 490 H TYR 66 H TYR 66 0.655 22.261 -11.185 491 HA TYR 66 HA TYR 66 2.274 21.805 -13.447 492 HB2 TYR 66 2HB TYR 66 -0.028 22.103 -13.861 493 HB3 TYR 66 3HB TYR 66 -0.091 23.594 -12.928 494 HD1 TYR 66 HD2 TYR 66 0.684 25.696 -13.891 495 HD2 TYR 66 HD1 TYR 66 0.765 22.092 -16.150 496 HE1 TYR 66 HE2 TYR 66 0.997 27.003 -15.952 497 HE2 TYR 66 HE1 TYR 66 1.079 23.387 -18.217 498 HH TYR 66 HH TYR 66 1.886 25.568 -18.919 499 H LEU 67 H LEU 67 4.190 22.699 -13.798 500 HA LEU 67 HA LEU 67 4.754 25.380 -12.779 501 HB2 LEU 67 2HB LEU 67 6.703 23.554 -14.148 502 HB3 LEU 67 3HB LEU 67 7.040 24.892 -13.051 503 HG LEU 67 HG LEU 67 5.765 22.278 -12.244 504 HD11 LEU 67 1HD1 LEU 67 8.136 22.315 -10.988 505 HD12 LEU 67 2HD1 LEU 67 8.573 23.144 -12.481 506 HD13 LEU 67 3HD1 LEU 67 7.870 21.528 -12.543 507 HD21 LEU 67 3HD2 LEU 67 5.053 23.903 -10.716 508 HD22 LEU 67 1HD2 LEU 67 6.607 24.737 -10.742 509 HD23 LEU 67 2HD2 LEU 67 6.463 23.166 -9.951 510 H GLY 68 H GLY 68 4.086 23.711 -15.715 511 HA2 GLY 68 2HA GLY 68 3.578 25.898 -17.273 512 HA3 GLY 68 3HA GLY 68 5.303 25.629 -17.473 513 H GLU 69 H GLU 69 4.641 25.331 -19.748 514 HA GLU 69 HA GLU 69 3.666 22.588 -20.221 515 HB2 GLU 69 2HB GLU 69 2.903 25.126 -21.397 516 HB3 GLU 69 3HB GLU 69 3.445 23.992 -22.626 517 HG2 GLU 69 2HG GLU 69 1.828 22.354 -21.868 518 HG3 GLU 69 3HG GLU 69 1.313 23.437 -20.576 519 H ALA 70 H ALA 70 4.686 21.351 -21.830 520 HA ALA 70 HA ALA 70 7.440 21.428 -21.931 521 HB1 ALA 70 1HB ALA 70 5.435 20.169 -23.780 522 HB2 ALA 70 2HB ALA 70 7.173 19.962 -23.994 523 HB3 ALA 70 3HB ALA 70 6.396 19.406 -22.512 524 H GLU 71 H GLU 71 5.349 22.188 -24.726 525 HA GLU 71 HA GLU 71 7.272 23.275 -26.366 526 HB2 GLU 71 2HB GLU 71 4.385 24.139 -26.114 527 HB3 GLU 71 3HB GLU 71 5.437 24.499 -27.477 528 HG2 GLU 71 2HG GLU 71 5.707 21.901 -27.569 529 HG3 GLU 71 3HG GLU 71 4.186 21.921 -26.678 530 HA PRO 72 HA PRO 72 8.386 26.829 -23.846 531 HB2 PRO 72 2HB PRO 72 10.561 27.486 -25.331 532 HB3 PRO 72 3HB PRO 72 10.574 26.189 -24.131 533 HG2 PRO 72 2HG PRO 72 10.272 26.015 -27.104 534 HG3 PRO 72 3HG PRO 72 11.240 25.002 -26.017 535 HD2 PRO 72 2HD PRO 72 8.831 24.221 -26.976 536 HD3 PRO 72 3HD PRO 72 9.425 23.737 -25.373 537 H THR 73 H THR 73 7.505 28.782 -24.041 538 HA THR 73 HA THR 73 6.979 29.827 -26.742 539 HB THR 73 HB THR 73 5.321 31.336 -25.540 540 HG1 THR 73 HG1 THR 73 4.917 30.978 -23.455 541 HG21 THR 73 3HG2 THR 73 4.535 29.468 -26.837 542 HG22 THR 73 1HG2 THR 73 3.619 29.525 -25.332 543 HG23 THR 73 2HG2 THR 73 4.913 28.345 -25.532 Start of MODEL 15 1 H1 GLY 1 H GLY 1 30.000 5.218 -9.198 2 HA2 GLY 1 2HA GLY 1 29.684 3.662 -7.185 3 HA3 GLY 1 3HA GLY 1 29.978 5.122 -6.252 4 HA PRO 2 HA PRO 2 25.397 4.561 -7.265 5 HB2 PRO 2 2HB PRO 2 24.542 4.138 -4.722 6 HB3 PRO 2 3HB PRO 2 25.038 2.827 -5.800 7 HG2 PRO 2 2HG PRO 2 26.585 4.175 -3.621 8 HG3 PRO 2 3HG PRO 2 26.477 2.450 -4.013 9 HD2 PRO 2 2HD PRO 2 28.582 3.983 -4.753 10 HD3 PRO 2 3HD PRO 2 28.008 2.615 -5.727 11 H SER 3 H SER 3 23.797 6.111 -6.858 12 HA SER 3 HA SER 3 24.758 8.674 -6.068 13 HB2 SER 3 2HB SER 3 23.140 8.769 -7.754 14 HB3 SER 3 3HB SER 3 22.093 7.601 -6.949 15 HG SER 3 HG SER 3 21.628 10.033 -6.888 16 H THR 4 H THR 4 23.765 10.040 -4.423 17 HA THR 4 HA THR 4 22.777 8.509 -2.106 18 HB THR 4 HB THR 4 24.619 10.896 -1.916 19 HG1 THR 4 HG1 THR 4 25.915 9.304 -2.683 20 HG21 THR 4 3HG2 THR 4 24.840 10.243 0.412 21 HG22 THR 4 1HG2 THR 4 23.787 8.854 0.148 22 HG23 THR 4 2HG2 THR 4 23.138 10.488 0.020 23 H SER 5 H SER 5 23.142 11.840 -3.336 24 HA SER 5 HA SER 5 20.515 12.465 -2.162 25 HB2 SER 5 2HB SER 5 21.460 14.905 -2.662 26 HB3 SER 5 3HB SER 5 21.882 14.035 -1.187 27 HG SER 5 HG SER 5 23.584 15.018 -2.766 28 H MET 6 H MET 6 18.867 12.932 -3.467 29 HA MET 6 HA MET 6 19.096 14.274 -5.939 30 HB2 MET 6 2HB MET 6 20.040 12.066 -6.606 31 HB3 MET 6 3HB MET 6 18.510 11.317 -6.168 32 HG2 MET 6 2HG MET 6 17.454 12.067 -8.015 33 HG3 MET 6 3HG MET 6 18.369 13.573 -8.061 34 HE1 MET 6 3HE MET 6 20.566 13.858 -8.627 35 HE2 MET 6 1HE MET 6 21.716 12.530 -8.784 36 HE3 MET 6 2HE MET 6 21.059 13.302 -10.227 37 H GLU 7 H GLU 7 17.031 14.562 -7.000 38 HA GLU 7 HA GLU 7 14.718 13.742 -5.383 39 HB2 GLU 7 2HB GLU 7 15.650 16.474 -6.003 40 HB3 GLU 7 3HB GLU 7 13.932 16.195 -6.245 41 HG2 GLU 7 2HG GLU 7 13.798 16.758 -4.083 42 HG3 GLU 7 3HG GLU 7 14.250 15.074 -3.822 43 H ASN 8 H ASN 8 15.905 14.975 -8.474 44 HA ASN 8 HA ASN 8 13.485 13.919 -9.773 45 HB2 ASN 8 2HB ASN 8 13.790 16.275 -10.214 46 HB3 ASN 8 3HB ASN 8 15.462 16.012 -10.700 47 HD21 ASN 8 1HD2 ASN 8 12.338 16.375 -11.763 48 HD22 ASN 8 2HD2 ASN 8 12.527 15.776 -13.372 49 H LEU 9 H LEU 9 14.057 11.789 -10.039 50 HA LEU 9 HA LEU 9 16.582 11.162 -11.367 51 HB2 LEU 9 2HB LEU 9 16.154 8.886 -10.813 52 HB3 LEU 9 3HB LEU 9 15.829 9.868 -9.385 53 HG LEU 9 HG LEU 9 13.456 9.349 -11.014 54 HD11 LEU 9 1HD1 LEU 9 14.788 7.029 -9.625 55 HD12 LEU 9 2HD1 LEU 9 14.695 7.241 -11.373 56 HD13 LEU 9 3HD1 LEU 9 13.219 7.024 -10.431 57 HD21 LEU 9 3HD2 LEU 9 14.244 9.206 -8.123 58 HD22 LEU 9 1HD2 LEU 9 12.687 8.600 -8.687 59 HD23 LEU 9 2HD2 LEU 9 13.104 10.299 -8.910 60 H VAL 10 H VAL 10 13.685 12.156 -12.379 61 HA VAL 10 HA VAL 10 12.719 10.371 -14.246 62 HB VAL 10 HB VAL 10 12.887 13.376 -14.520 63 HG11 VAL 10 1HG1 VAL 10 10.609 12.443 -15.813 64 HG12 VAL 10 2HG1 VAL 10 12.077 13.065 -16.569 65 HG13 VAL 10 3HG1 VAL 10 11.887 11.332 -16.301 66 HG21 VAL 10 3HG2 VAL 10 10.341 12.900 -13.860 67 HG22 VAL 10 1HG2 VAL 10 11.103 11.542 -13.033 68 HG23 VAL 10 2HG2 VAL 10 11.600 13.192 -12.659 69 H SER 11 H SER 11 15.582 12.360 -14.386 70 HA SER 11 HA SER 11 16.059 12.243 -17.156 71 HB2 SER 11 2HB SER 11 17.368 13.293 -14.885 72 HB3 SER 11 3HB SER 11 18.532 12.238 -15.685 73 HG SER 11 HG SER 11 17.016 14.120 -17.141 74 H LEU 12 H LEU 12 17.170 10.166 -14.500 75 HA LEU 12 HA LEU 12 18.133 8.228 -16.491 76 HB2 LEU 12 2HB LEU 12 19.411 7.236 -14.639 77 HB3 LEU 12 3HB LEU 12 19.839 8.918 -14.945 78 HG LEU 12 HG LEU 12 17.802 8.654 -12.887 79 HD11 LEU 12 1HD1 LEU 12 18.734 6.641 -12.194 80 HD12 LEU 12 2HD1 LEU 12 19.576 7.839 -11.211 81 HD13 LEU 12 3HD1 LEU 12 20.372 7.137 -12.621 82 HD21 LEU 12 3HD2 LEU 12 18.829 10.717 -12.992 83 HD22 LEU 12 1HD2 LEU 12 20.425 10.026 -13.286 84 HD23 LEU 12 2HD2 LEU 12 19.712 9.944 -11.675 85 H GLN 13 H GLN 13 15.325 8.643 -15.620 86 HA GLN 13 HA GLN 13 14.640 6.393 -13.974 87 HB2 GLN 13 2HB GLN 13 13.269 8.662 -15.166 88 HB3 GLN 13 3HB GLN 13 12.330 7.181 -15.311 89 HG2 GLN 13 2HG GLN 13 12.539 6.836 -12.887 90 HG3 GLN 13 3HG GLN 13 13.419 8.358 -12.764 91 HE21 GLN 13 1HE2 GLN 13 11.565 8.668 -11.214 92 HE22 GLN 13 2HE2 GLN 13 10.134 9.396 -11.851 93 H ASN 14 H ASN 14 15.170 6.929 -17.329 94 HA ASN 14 HA ASN 14 14.413 4.150 -17.871 95 HB2 ASN 14 2HB ASN 14 13.602 5.062 -20.176 96 HB3 ASN 14 3HB ASN 14 12.528 5.162 -18.784 97 HD21 ASN 14 1HD2 ASN 14 12.125 7.157 -17.839 98 HD22 ASN 14 2HD2 ASN 14 12.493 8.643 -18.639 99 H LEU 15 H LEU 15 16.953 5.666 -17.484 100 HA LEU 15 HA LEU 15 18.443 4.432 -19.560 101 HB2 LEU 15 2HB LEU 15 17.704 7.266 -19.846 102 HB3 LEU 15 3HB LEU 15 19.413 6.907 -20.084 103 HG LEU 15 HG LEU 15 17.891 5.030 -21.586 104 HD11 LEU 15 1HD1 LEU 15 17.206 7.853 -22.341 105 HD12 LEU 15 2HD1 LEU 15 16.138 6.857 -21.353 106 HD13 LEU 15 3HD1 LEU 15 16.552 6.348 -22.989 107 HD21 LEU 15 3HD2 LEU 15 20.145 5.677 -22.123 108 HD22 LEU 15 1HD2 LEU 15 19.651 7.355 -22.352 109 HD23 LEU 15 2HD2 LEU 15 19.090 6.111 -23.469 110 H LEU 16 H LEU 16 20.491 4.084 -18.901 111 HA LEU 16 HA LEU 16 21.231 4.761 -16.249 112 HB2 LEU 16 2HB LEU 16 22.413 3.268 -18.500 113 HB3 LEU 16 3HB LEU 16 23.557 3.930 -17.334 114 HG LEU 16 HG LEU 16 21.250 2.321 -16.338 115 HD11 LEU 16 1HD1 LEU 16 22.839 1.292 -18.322 116 HD12 LEU 16 2HD1 LEU 16 21.956 0.354 -17.118 117 HD13 LEU 16 3HD1 LEU 16 23.653 0.755 -16.853 118 HD21 LEU 16 3HD2 LEU 16 24.013 2.047 -15.326 119 HD22 LEU 16 1HD2 LEU 16 22.483 2.136 -14.452 120 HD23 LEU 16 2HD2 LEU 16 23.231 3.608 -15.072 121 H VAL 17 H VAL 17 21.408 6.488 -19.130 122 HA VAL 17 HA VAL 17 23.795 7.855 -19.065 123 HB VAL 17 HB VAL 17 22.125 8.140 -20.844 124 HG11 VAL 17 1HG1 VAL 17 20.362 8.624 -18.777 125 HG12 VAL 17 2HG1 VAL 17 20.572 10.209 -19.523 126 HG13 VAL 17 3HG1 VAL 17 20.035 8.840 -20.497 127 HG21 VAL 17 3HG2 VAL 17 22.877 10.744 -19.518 128 HG22 VAL 17 1HG2 VAL 17 23.922 9.786 -20.568 129 HG23 VAL 17 2HG2 VAL 17 22.456 10.522 -21.216 130 H TYR 18 H TYR 18 24.519 9.774 -18.121 131 HA TYR 18 HA TYR 18 22.954 10.766 -15.837 132 HB2 TYR 18 2HB TYR 18 25.388 9.313 -15.699 133 HB3 TYR 18 3HB TYR 18 25.748 10.979 -15.259 134 HD1 TYR 18 HD2 TYR 18 22.676 8.964 -14.632 135 HD2 TYR 18 HD1 TYR 18 26.038 10.955 -12.950 136 HE1 TYR 18 HE2 TYR 18 21.781 8.557 -12.377 137 HE2 TYR 18 HE1 TYR 18 25.154 10.553 -10.691 138 HH TYR 18 HH TYR 18 22.524 8.428 -10.098 139 H VAL 19 H VAL 19 22.411 12.765 -16.444 140 HA VAL 19 HA VAL 19 24.282 14.836 -16.596 141 HB VAL 19 HB VAL 19 24.939 14.026 -18.752 142 HG11 VAL 19 1HG1 VAL 19 23.482 12.748 -19.856 143 HG12 VAL 19 2HG1 VAL 19 22.101 13.462 -19.021 144 HG13 VAL 19 3HG1 VAL 19 22.774 14.250 -20.449 145 HG21 VAL 19 3HG2 VAL 19 24.032 16.573 -18.291 146 HG22 VAL 19 1HG2 VAL 19 24.972 16.056 -19.692 147 HG23 VAL 19 2HG2 VAL 19 23.213 16.139 -19.792 148 H ASN 20 H ASN 20 23.277 16.726 -16.214 149 HA ASN 20 HA ASN 20 20.608 16.873 -15.530 150 HB2 ASN 20 2HB ASN 20 22.770 18.610 -15.491 151 HB3 ASN 20 3HB ASN 20 21.615 19.417 -16.548 152 HD21 ASN 20 1HD2 ASN 20 20.724 20.955 -15.363 153 HD22 ASN 20 2HD2 ASN 20 20.011 20.739 -13.804 154 H TRP 21 H TRP 21 18.749 17.071 -16.603 155 HA TRP 21 HA TRP 21 17.246 17.298 -18.295 156 HB2 TRP 21 2HB TRP 21 17.748 19.537 -18.645 157 HB3 TRP 21 3HB TRP 21 19.405 19.194 -19.135 158 HD1 TRP 21 HD1 TRP 21 15.893 19.553 -20.514 159 HE1 TRP 21 HE1 TRP 21 15.982 19.464 -23.085 160 HE3 TRP 21 HE3 TRP 21 20.767 18.129 -21.109 161 HZ2 TRP 21 HZ2 TRP 21 17.867 18.868 -25.099 162 HZ3 TRP 21 HZ3 TRP 21 21.635 17.821 -23.390 163 HH2 TRP 21 HH2 TRP 21 20.214 18.182 -25.343 164 H SER 22 H SER 22 16.667 16.266 -20.194 165 HA SER 22 HA SER 22 18.390 15.378 -22.200 166 HB2 SER 22 2HB SER 22 18.239 13.633 -19.813 167 HB3 SER 22 3HB SER 22 18.055 12.822 -21.369 168 HG SER 22 HG SER 22 20.290 13.600 -20.230 169 H SER 23 H SER 23 16.330 16.324 -23.012 170 HA SER 23 HA SER 23 14.281 16.156 -23.994 171 HB2 SER 23 2HB SER 23 14.915 13.201 -24.135 172 HB3 SER 23 3HB SER 23 13.841 14.112 -25.195 173 HG SER 23 HG SER 23 15.738 13.954 -26.281 174 H TYR 24 H TYR 24 13.061 16.720 -22.167 175 HA TYR 24 HA TYR 24 12.289 15.133 -20.060 176 HB2 TYR 24 2HB TYR 24 11.017 17.443 -21.464 177 HB3 TYR 24 3HB TYR 24 10.077 16.571 -20.258 178 HD1 TYR 24 HD1 TYR 24 13.720 17.334 -20.258 179 HD2 TYR 24 HD2 TYR 24 9.929 18.068 -18.472 180 HE1 TYR 24 HE1 TYR 24 14.816 18.626 -18.477 181 HE2 TYR 24 HE2 TYR 24 11.015 19.364 -16.685 182 HH TYR 24 HH TYR 24 14.264 20.366 -16.857 183 HA PRO 25 HA PRO 25 10.030 11.994 -22.355 184 HB2 PRO 25 2HB PRO 25 9.775 10.311 -20.239 185 HB3 PRO 25 3HB PRO 25 11.259 10.438 -21.191 186 HG2 PRO 25 2HG PRO 25 10.587 11.687 -18.555 187 HG3 PRO 25 3HG PRO 25 12.095 10.911 -19.074 188 HD2 PRO 25 2HD PRO 25 11.786 13.600 -19.018 189 HD3 PRO 25 3HD PRO 25 12.815 12.782 -20.210 190 H LYS 26 H LYS 26 7.935 10.868 -21.976 191 HA LYS 26 HA LYS 26 6.012 12.746 -20.882 192 HB2 LYS 26 2HB LYS 26 5.696 10.192 -22.463 193 HB3 LYS 26 3HB LYS 26 4.339 11.150 -21.883 194 HG2 LYS 26 2HG LYS 26 4.674 12.805 -23.404 195 HG3 LYS 26 3HG LYS 26 6.418 12.538 -23.479 196 HD2 LYS 26 2HD LYS 26 6.132 11.369 -25.347 197 HD3 LYS 26 3HD LYS 26 5.177 10.190 -24.444 198 HE2 LYS 26 2HE LYS 26 3.903 12.725 -25.380 199 HE3 LYS 26 3HE LYS 26 4.158 11.406 -26.522 200 HZ1 LYS 26 3HZ LYS 26 1.952 11.494 -25.279 201 HZ2 LYS 26 1HZ LYS 26 2.816 10.953 -23.929 202 HZ3 LYS 26 2HZ LYS 26 2.755 10.006 -25.330 203 H TYR 27 H TYR 27 4.252 12.030 -19.494 204 HA TYR 27 HA TYR 27 5.078 10.879 -17.131 205 HB2 TYR 27 2HB TYR 27 3.059 11.596 -16.502 206 HB3 TYR 27 3HB TYR 27 2.651 11.893 -18.188 207 HD1 TYR 27 HD2 TYR 27 2.453 9.435 -15.444 208 HD2 TYR 27 HD1 TYR 27 1.167 10.447 -19.371 209 HE1 TYR 27 HE2 TYR 27 0.743 7.670 -15.332 210 HE2 TYR 27 HE1 TYR 27 -0.548 8.686 -19.270 211 HH TYR 27 HH TYR 27 -1.173 6.789 -18.122 212 H GLU 28 H GLU 28 5.451 8.873 -16.451 213 HA GLU 28 HA GLU 28 4.534 6.643 -18.144 214 HB2 GLU 28 2HB GLU 28 7.112 7.280 -17.549 215 HB3 GLU 28 3HB GLU 28 6.745 6.141 -16.261 216 HG2 GLU 28 2HG GLU 28 5.754 4.877 -18.482 217 HG3 GLU 28 3HG GLU 28 7.198 5.679 -19.097 218 HA PRO 29 HA PRO 29 2.098 5.847 -14.435 219 HB2 PRO 29 2HB PRO 29 0.470 4.033 -15.630 220 HB3 PRO 29 3HB PRO 29 0.249 5.778 -15.798 221 HG2 PRO 29 2HG PRO 29 1.546 3.844 -17.678 222 HG3 PRO 29 3HG PRO 29 0.432 5.176 -18.036 223 HD2 PRO 29 2HD PRO 29 3.110 5.384 -18.379 224 HD3 PRO 29 3HD PRO 29 2.097 6.767 -17.916 225 H GLY 30 H GLY 30 2.686 4.472 -12.880 226 HA2 GLY 30 2HA GLY 30 2.913 2.246 -12.030 227 HA3 GLY 30 3HA GLY 30 3.438 1.727 -13.624 228 H LYS 31 H LYS 31 4.735 4.656 -12.331 229 HA LYS 31 HA LYS 31 7.163 3.276 -11.436 230 HB2 LYS 31 2HB LYS 31 7.722 3.851 -13.676 231 HB3 LYS 31 3HB LYS 31 7.007 5.450 -13.520 232 HG2 LYS 31 2HG LYS 31 8.816 6.310 -12.445 233 HG3 LYS 31 3HG LYS 31 9.249 4.767 -11.704 234 HD2 LYS 31 2HD LYS 31 9.468 4.566 -14.556 235 HD3 LYS 31 3HD LYS 31 10.375 5.970 -13.989 236 HE2 LYS 31 2HE LYS 31 10.648 3.131 -13.005 237 HE3 LYS 31 3HE LYS 31 11.798 4.007 -14.015 238 HZ1 LYS 31 3HZ LYS 31 11.585 3.980 -11.206 239 HZ2 LYS 31 1HZ LYS 31 11.343 5.561 -11.757 240 HZ3 LYS 31 2HZ LYS 31 12.757 4.728 -12.171 241 H GLU 32 H GLU 32 7.609 3.931 -9.447 242 HA GLU 32 HA GLU 32 6.362 5.907 -8.022 243 HB2 GLU 32 2HB GLU 32 8.776 4.307 -7.704 244 HB3 GLU 32 3HB GLU 32 8.915 5.882 -6.935 245 HG2 GLU 32 2HG GLU 32 7.532 5.321 -5.286 246 HG3 GLU 32 3HG GLU 32 6.373 4.583 -6.390 247 H TYR 33 H TYR 33 6.602 8.061 -7.684 248 HA TYR 33 HA TYR 33 8.715 9.438 -9.208 249 HB2 TYR 33 2HB TYR 33 5.793 10.140 -8.956 250 HB3 TYR 33 3HB TYR 33 7.001 11.315 -9.462 251 HD1 TYR 33 HD2 TYR 33 8.544 10.509 -11.457 252 HD2 TYR 33 HD1 TYR 33 4.694 8.921 -10.583 253 HE1 TYR 33 HE2 TYR 33 8.353 9.712 -13.776 254 HE2 TYR 33 HE1 TYR 33 4.493 8.120 -12.900 255 HH TYR 33 HH TYR 33 7.173 8.392 -15.177 256 H ASN 34 H ASN 34 10.094 10.165 -7.717 257 HA ASN 34 HA ASN 34 9.211 10.981 -5.096 258 HB2 ASN 34 2HB ASN 34 11.981 11.370 -6.218 259 HB3 ASN 34 3HB ASN 34 11.501 11.162 -4.536 260 HD21 ASN 34 1HD2 ASN 34 13.481 9.683 -5.973 261 HD22 ASN 34 2HD2 ASN 34 12.980 8.030 -5.976 262 H GLN 35 H GLN 35 9.818 13.088 -4.174 263 HA GLN 35 HA GLN 35 8.708 15.223 -5.521 264 HB2 GLN 35 2HB GLN 35 9.517 16.616 -3.787 265 HB3 GLN 35 3HB GLN 35 9.243 15.043 -3.049 266 HG2 GLN 35 2HG GLN 35 11.618 14.551 -3.169 267 HG3 GLN 35 3HG GLN 35 11.910 16.100 -3.959 268 HE21 GLN 35 1HE2 GLN 35 10.610 14.662 -1.005 269 HE22 GLN 35 2HE2 GLN 35 11.083 15.951 0.042 270 H GLY 36 H GLY 36 9.391 16.714 -6.955 271 HA2 GLY 36 2HA GLY 36 11.060 18.086 -7.974 272 HA3 GLY 36 3HA GLY 36 12.266 16.879 -7.550 273 H ASP 37 H ASP 37 10.377 14.735 -8.521 274 HA ASP 37 HA ASP 37 11.446 14.407 -11.083 275 HB2 ASP 37 2HB ASP 37 9.255 13.106 -9.532 276 HB3 ASP 37 3HB ASP 37 9.350 12.783 -11.261 277 H ILE 38 H ILE 38 10.821 15.009 -13.077 278 HA ILE 38 HA ILE 38 8.223 16.368 -13.356 279 HB ILE 38 HB ILE 38 10.835 17.217 -14.612 280 HG12 ILE 38 2HG1 ILE 38 9.413 19.231 -13.101 281 HG13 ILE 38 3HG1 ILE 38 9.734 17.818 -12.099 282 HG21 ILE 38 1HG2 ILE 38 9.523 17.998 -16.246 283 HG22 ILE 38 2HG2 ILE 38 8.052 17.753 -15.304 284 HG23 ILE 38 3HG2 ILE 38 9.015 19.213 -15.073 285 HD11 ILE 38 3HD1 ILE 38 11.667 18.897 -11.723 286 HD12 ILE 38 1HD1 ILE 38 12.141 18.126 -13.235 287 HD13 ILE 38 2HD1 ILE 38 11.587 19.801 -13.235 288 H VAL 39 H VAL 39 7.055 15.914 -15.160 289 HA VAL 39 HA VAL 39 8.293 14.408 -17.334 290 HB VAL 39 HB VAL 39 6.722 12.623 -17.310 291 HG11 VAL 39 1HG1 VAL 39 7.700 13.096 -14.496 292 HG12 VAL 39 2HG1 VAL 39 7.177 11.545 -15.157 293 HG13 VAL 39 3HG1 VAL 39 8.613 12.341 -15.803 294 HG21 VAL 39 3HG2 VAL 39 5.119 12.626 -15.185 295 HG22 VAL 39 1HG2 VAL 39 5.262 14.370 -15.412 296 HG23 VAL 39 2HG2 VAL 39 4.650 13.358 -16.720 297 H GLU 40 H GLU 40 7.121 14.462 -19.292 298 HA GLU 40 HA GLU 40 5.407 16.786 -19.534 299 HB2 GLU 40 2HB GLU 40 7.109 16.551 -21.204 300 HB3 GLU 40 3HB GLU 40 6.606 14.905 -21.565 301 HG2 GLU 40 2HG GLU 40 4.560 15.681 -22.541 302 HG3 GLU 40 3HG GLU 40 4.899 17.336 -22.037 303 H TYR 41 H TYR 41 3.288 16.794 -20.225 304 HA TYR 41 HA TYR 41 1.956 14.239 -20.697 305 HB2 TYR 41 2HB TYR 41 1.845 14.774 -18.230 306 HB3 TYR 41 3HB TYR 41 0.893 16.192 -18.653 307 HD1 TYR 41 HD1 TYR 41 0.941 12.489 -19.111 308 HD2 TYR 41 HD2 TYR 41 -1.418 16.014 -18.770 309 HE1 TYR 41 HE1 TYR 41 -1.099 11.115 -19.092 310 HE2 TYR 41 HE2 TYR 41 -3.464 14.649 -18.748 311 HH TYR 41 HH TYR 41 -4.167 12.373 -19.559 312 H ASN 42 H ASN 42 1.041 14.548 -22.614 313 HA ASN 42 HA ASN 42 -0.106 15.483 -24.343 314 HB2 ASN 42 2HB ASN 42 -1.669 15.740 -22.060 315 HB3 ASN 42 3HB ASN 42 -1.708 17.349 -22.778 316 HD21 ASN 42 1HD2 ASN 42 -3.767 15.238 -22.517 317 HD22 ASN 42 2HD2 ASN 42 -4.352 14.974 -24.121 318 H GLY 43 H GLY 43 2.348 16.788 -23.469 319 HA2 GLY 43 2HA GLY 43 3.490 18.577 -24.461 320 HA3 GLY 43 3HA GLY 43 1.944 19.306 -24.873 321 H LYS 44 H LYS 44 2.228 18.237 -21.644 322 HA LYS 44 HA LYS 44 2.590 21.024 -20.766 323 HB2 LYS 44 2HB LYS 44 0.493 19.347 -20.244 324 HB3 LYS 44 3HB LYS 44 1.501 19.099 -18.825 325 HG2 LYS 44 2HG LYS 44 0.680 20.953 -17.950 326 HG3 LYS 44 3HG LYS 44 1.399 21.877 -19.271 327 HD2 LYS 44 2HD LYS 44 -0.585 21.659 -20.592 328 HD3 LYS 44 3HD LYS 44 -1.289 20.522 -19.441 329 HE2 LYS 44 2HE LYS 44 -1.061 22.440 -17.739 330 HE3 LYS 44 3HE LYS 44 -0.852 23.475 -19.149 331 HZ1 LYS 44 3HZ LYS 44 -3.226 22.777 -18.058 332 HZ2 LYS 44 1HZ LYS 44 -3.103 21.702 -19.358 333 HZ3 LYS 44 2HZ LYS 44 -3.012 23.369 -19.628 334 H LEU 45 H LEU 45 3.236 20.862 -18.218 335 HA LEU 45 HA LEU 45 5.402 18.944 -17.863 336 HB2 LEU 45 2HB LEU 45 5.737 21.911 -18.068 337 HB3 LEU 45 3HB LEU 45 6.830 20.956 -17.067 338 HG LEU 45 HG LEU 45 6.416 20.632 -20.039 339 HD11 LEU 45 1HD1 LEU 45 7.740 22.456 -20.046 340 HD12 LEU 45 2HD1 LEU 45 9.007 21.273 -19.723 341 HD13 LEU 45 3HD1 LEU 45 8.299 22.192 -18.395 342 HD21 LEU 45 3HD2 LEU 45 8.422 19.143 -19.822 343 HD22 LEU 45 1HD2 LEU 45 6.940 18.503 -19.113 344 HD23 LEU 45 2HD2 LEU 45 8.187 19.192 -18.074 345 H TYR 46 H TYR 46 4.932 18.048 -15.971 346 HA TYR 46 HA TYR 46 4.019 19.797 -13.780 347 HB2 TYR 46 2HB TYR 46 3.417 16.866 -14.226 348 HB3 TYR 46 3HB TYR 46 2.891 17.811 -12.838 349 HD1 TYR 46 HD1 TYR 46 1.112 19.457 -13.055 350 HD2 TYR 46 HD2 TYR 46 2.376 17.152 -16.401 351 HE1 TYR 46 HE1 TYR 46 -0.918 20.122 -14.273 352 HE2 TYR 46 HE2 TYR 46 0.351 17.813 -17.629 353 HH TYR 46 HH TYR 46 -2.221 19.639 -16.084 354 H LYS 47 H LYS 47 4.758 19.300 -11.652 355 HA LYS 47 HA LYS 47 7.164 17.613 -11.535 356 HB2 LYS 47 2HB LYS 47 8.010 19.842 -11.694 357 HB3 LYS 47 3HB LYS 47 6.849 20.436 -10.514 358 HG2 LYS 47 2HG LYS 47 8.069 19.727 -8.750 359 HG3 LYS 47 3HG LYS 47 8.681 18.307 -9.601 360 HD2 LYS 47 2HD LYS 47 10.610 19.419 -9.775 361 HD3 LYS 47 3HD LYS 47 9.801 20.416 -10.986 362 HE2 LYS 47 2HE LYS 47 8.985 21.793 -8.951 363 HE3 LYS 47 3HE LYS 47 10.290 20.984 -8.086 364 HZ1 LYS 47 3HZ LYS 47 11.617 22.554 -8.887 365 HZ2 LYS 47 1HZ LYS 47 10.424 23.146 -9.931 366 HZ3 LYS 47 2HZ LYS 47 11.421 21.873 -10.423 367 H ALA 48 H ALA 48 6.911 16.088 -10.055 368 HA ALA 48 HA ALA 48 4.791 15.976 -8.228 369 HB1 ALA 48 1HB ALA 48 6.901 14.361 -7.251 370 HB2 ALA 48 2HB ALA 48 5.472 13.867 -8.161 371 HB3 ALA 48 3HB ALA 48 6.953 14.305 -9.013 372 H LYS 49 H LYS 49 4.474 17.189 -6.492 373 HA LYS 49 HA LYS 49 6.443 18.821 -5.309 374 HB2 LYS 49 2HB LYS 49 3.775 17.915 -4.211 375 HB3 LYS 49 3HB LYS 49 4.753 19.213 -3.540 376 HG2 LYS 49 2HG LYS 49 4.461 20.540 -5.507 377 HG3 LYS 49 3HG LYS 49 3.671 19.205 -6.349 378 HD2 LYS 49 2HD LYS 49 1.719 19.421 -5.133 379 HD3 LYS 49 3HD LYS 49 2.530 20.203 -3.775 380 HE2 LYS 49 2HE LYS 49 2.981 22.004 -5.747 381 HE3 LYS 49 3HE LYS 49 1.418 21.357 -6.245 382 HZ1 LYS 49 3HZ LYS 49 0.449 22.587 -4.699 383 HZ2 LYS 49 1HZ LYS 49 1.947 23.228 -4.242 384 HZ3 LYS 49 2HZ LYS 49 1.356 21.838 -3.482 385 H TYR 50 H TYR 50 4.954 15.784 -4.208 386 HA TYR 50 HA TYR 50 7.357 15.252 -2.626 387 HB2 TYR 50 2HB TYR 50 6.181 14.759 -0.633 388 HB3 TYR 50 3HB TYR 50 5.525 16.295 -1.189 389 HD1 TYR 50 HD1 TYR 50 3.421 15.981 -2.844 390 HD2 TYR 50 HD2 TYR 50 4.667 13.200 0.124 391 HE1 TYR 50 HE1 TYR 50 1.150 15.040 -2.783 392 HE2 TYR 50 HE2 TYR 50 2.400 12.249 0.194 393 HH TYR 50 HH TYR 50 0.133 12.857 -0.345 394 H TRP 51 H TRP 51 7.167 12.933 -1.670 395 HA TRP 51 HA TRP 51 7.169 11.103 -3.728 396 HB2 TRP 51 2HB TRP 51 7.829 10.994 -1.108 397 HB3 TRP 51 3HB TRP 51 6.348 10.039 -1.091 398 HD1 TRP 51 HD1 TRP 51 9.755 10.094 -2.942 399 HE1 TRP 51 HE1 TRP 51 10.377 7.665 -3.527 400 HE3 TRP 51 HE3 TRP 51 5.526 7.750 -1.281 401 HZ2 TRP 51 HZ2 TRP 51 9.226 5.096 -3.312 402 HZ3 TRP 51 HZ3 TRP 51 5.365 5.305 -1.509 403 HH2 TRP 51 HH2 TRP 51 7.179 4.008 -2.504 404 H THR 52 H THR 52 5.572 10.513 -5.029 405 HA THR 52 HA THR 52 3.108 9.482 -3.971 406 HB THR 52 HB THR 52 2.888 11.865 -5.812 407 HG1 THR 52 HG1 THR 52 3.031 13.058 -4.081 408 HG21 THR 52 3HG2 THR 52 1.021 9.898 -4.682 409 HG22 THR 52 1HG2 THR 52 0.870 10.907 -6.119 410 HG23 THR 52 2HG2 THR 52 0.503 11.576 -4.529 411 H THR 53 H THR 53 1.860 8.358 -5.536 412 HA THR 53 HA THR 53 3.179 7.996 -8.144 413 HB THR 53 HB THR 53 2.789 5.612 -8.071 414 HG1 THR 53 HG1 THR 53 1.913 5.806 -5.388 415 HG21 THR 53 3HG2 THR 53 4.418 4.979 -6.478 416 HG22 THR 53 1HG2 THR 53 4.019 6.331 -5.418 417 HG23 THR 53 2HG2 THR 53 4.836 6.625 -6.954 418 H SER 54 H SER 54 1.788 8.831 -9.567 419 HA SER 54 HA SER 54 -0.614 7.629 -10.238 420 HB2 SER 54 2HB SER 54 -0.864 9.541 -8.050 421 HB3 SER 54 3HB SER 54 -1.877 9.968 -9.428 422 HG SER 54 HG SER 54 -2.930 8.544 -7.964 423 HA PRO 55 HA PRO 55 0.041 10.140 -13.780 424 HB2 PRO 55 2HB PRO 55 -2.437 10.098 -14.888 425 HB3 PRO 55 3HB PRO 55 -1.356 8.700 -14.897 426 HG2 PRO 55 2HG PRO 55 -3.653 9.305 -13.076 427 HG3 PRO 55 3HG PRO 55 -3.212 7.771 -13.848 428 HD2 PRO 55 2HD PRO 55 -2.631 8.321 -11.261 429 HD3 PRO 55 3HD PRO 55 -1.591 7.302 -12.278 430 HA PRO 56 HA PRO 56 -1.135 14.291 -12.890 431 HB2 PRO 56 2HB PRO 56 -0.935 15.388 -15.366 432 HB3 PRO 56 3HB PRO 56 0.474 14.928 -14.402 433 HG2 PRO 56 2HG PRO 56 -0.856 13.449 -16.638 434 HG3 PRO 56 3HG PRO 56 0.873 13.683 -16.325 435 HD2 PRO 56 2HD PRO 56 -0.425 11.390 -15.697 436 HD3 PRO 56 3HD PRO 56 0.942 12.005 -14.745 437 H SER 57 H SER 57 -3.021 15.321 -12.637 438 HA SER 57 HA SER 57 -4.957 15.771 -14.583 439 HB2 SER 57 2HB SER 57 -5.114 13.131 -13.357 440 HB3 SER 57 3HB SER 57 -6.596 14.061 -13.127 441 HG SER 57 HG SER 57 -7.027 13.506 -15.100 442 H ASP 58 H ASP 58 -5.314 14.630 -11.226 443 HA ASP 58 HA ASP 58 -5.938 17.367 -10.395 444 HB2 ASP 58 2HB ASP 58 -8.035 15.936 -10.969 445 HB3 ASP 58 3HB ASP 58 -7.685 15.114 -9.451 446 H ASP 59 H ASP 59 -4.638 17.829 -8.762 447 HA ASP 59 HA ASP 59 -3.827 15.661 -6.941 448 HB2 ASP 59 2HB ASP 59 -2.016 17.525 -6.371 449 HB3 ASP 59 3HB ASP 59 -1.810 16.417 -7.723 450 HA PRO 60 HA PRO 60 -6.597 18.328 -4.405 451 HB2 PRO 60 2HB PRO 60 -7.629 16.261 -2.978 452 HB3 PRO 60 3HB PRO 60 -8.267 16.755 -4.552 453 HG2 PRO 60 2HG PRO 60 -6.395 14.516 -3.883 454 HG3 PRO 60 3HG PRO 60 -7.778 14.525 -4.994 455 HD2 PRO 60 2HD PRO 60 -5.220 14.749 -5.851 456 HD3 PRO 60 3HD PRO 60 -6.578 15.536 -6.682 457 H TYR 61 H TYR 61 -4.006 16.180 -3.804 458 HA TYR 61 HA TYR 61 -3.809 17.112 -1.017 459 HB2 TYR 61 2HB TYR 61 -2.035 15.061 -1.132 460 HB3 TYR 61 3HB TYR 61 -3.715 14.881 -0.641 461 HD1 TYR 61 HD1 TYR 61 -1.638 14.870 -3.748 462 HD2 TYR 61 HD2 TYR 61 -4.983 13.253 -1.676 463 HE1 TYR 61 HE1 TYR 61 -1.998 13.276 -5.587 464 HE2 TYR 61 HE2 TYR 61 -5.352 11.653 -3.508 465 HH TYR 61 HH TYR 61 -4.336 10.690 -5.344 466 H GLY 62 H GLY 62 -2.605 17.641 -4.044 467 HA2 GLY 62 2HA GLY 62 -0.888 19.079 -4.665 468 HA3 GLY 62 3HA GLY 62 -0.339 19.097 -2.996 469 H SER 63 H SER 63 -0.769 16.463 -5.353 470 HA SER 63 HA SER 63 1.832 15.405 -4.607 471 HB2 SER 63 2HB SER 63 1.209 13.447 -5.896 472 HB3 SER 63 3HB SER 63 -0.147 13.908 -4.866 473 HG SER 63 HG SER 63 -0.335 13.470 -7.353 474 H TRP 64 H TRP 64 0.492 17.389 -7.020 475 HA TRP 64 HA TRP 64 3.000 17.242 -8.539 476 HB2 TRP 64 2HB TRP 64 0.202 17.066 -9.629 477 HB3 TRP 64 3HB TRP 64 1.528 17.671 -10.620 478 HD1 TRP 64 HD1 TRP 64 -0.009 14.485 -9.346 479 HE1 TRP 64 HE1 TRP 64 1.306 12.468 -10.257 480 HE3 TRP 64 HE3 TRP 64 4.028 16.954 -11.280 481 HZ2 TRP 64 HZ2 TRP 64 3.733 11.988 -11.616 482 HZ3 TRP 64 HZ3 TRP 64 5.803 15.642 -12.369 483 HH2 TRP 64 HH2 TRP 64 5.657 13.211 -12.532 484 H GLU 65 H GLU 65 3.419 19.173 -9.843 485 HA GLU 65 HA GLU 65 1.907 21.552 -9.077 486 HB2 GLU 65 2HB GLU 65 3.764 21.280 -7.432 487 HB3 GLU 65 3HB GLU 65 4.908 21.378 -8.764 488 HG2 GLU 65 2HG GLU 65 4.386 23.627 -9.190 489 HG3 GLU 65 3HG GLU 65 2.926 23.558 -8.204 490 H TYR 66 H TYR 66 1.266 22.175 -11.050 491 HA TYR 66 HA TYR 66 2.687 21.778 -13.439 492 HB2 TYR 66 2HB TYR 66 0.359 22.142 -13.630 493 HB3 TYR 66 3HB TYR 66 0.429 23.625 -12.685 494 HD1 TYR 66 HD1 TYR 66 1.195 25.711 -13.694 495 HD2 TYR 66 HD2 TYR 66 0.930 22.133 -15.982 496 HE1 TYR 66 HE1 TYR 66 1.368 27.028 -15.765 497 HE2 TYR 66 HE2 TYR 66 1.103 23.440 -18.058 498 HH TYR 66 HH TYR 66 1.093 26.958 -18.020 499 H LEU 67 H LEU 67 4.592 22.636 -13.923 500 HA LEU 67 HA LEU 67 5.288 25.290 -12.907 501 HB2 LEU 67 2HB LEU 67 7.120 23.456 -14.414 502 HB3 LEU 67 3HB LEU 67 7.536 24.750 -13.292 503 HG LEU 67 HG LEU 67 6.286 22.109 -12.533 504 HD11 LEU 67 1HD1 LEU 67 8.395 21.403 -12.893 505 HD12 LEU 67 2HD1 LEU 67 8.685 22.149 -11.321 506 HD13 LEU 67 3HD1 LEU 67 9.074 23.029 -12.799 507 HD21 LEU 67 3HD2 LEU 67 7.555 23.675 -10.445 508 HD22 LEU 67 1HD2 LEU 67 5.962 22.921 -10.483 509 HD23 LEU 67 2HD2 LEU 67 6.195 24.522 -11.184 510 H GLY 68 H GLY 68 4.276 23.720 -15.763 511 HA2 GLY 68 2HA GLY 68 3.763 25.903 -17.283 512 HA3 GLY 68 3HA GLY 68 5.466 25.604 -17.599 513 H GLU 69 H GLU 69 4.695 25.322 -19.827 514 HA GLU 69 HA GLU 69 3.621 22.610 -20.258 515 HB2 GLU 69 2HB GLU 69 2.837 25.171 -21.365 516 HB3 GLU 69 3HB GLU 69 3.283 24.042 -22.636 517 HG2 GLU 69 2HG GLU 69 1.678 22.433 -21.824 518 HG3 GLU 69 3HG GLU 69 1.281 23.477 -20.461 519 H ALA 70 H ALA 70 4.511 21.366 -21.940 520 HA ALA 70 HA ALA 70 7.256 21.387 -22.208 521 HB1 ALA 70 1HB ALA 70 6.824 19.953 -24.274 522 HB2 ALA 70 2HB ALA 70 6.149 19.391 -22.744 523 HB3 ALA 70 3HB ALA 70 5.110 20.183 -23.928 524 H GLU 71 H GLU 71 4.832 22.762 -24.408 525 HA GLU 71 HA GLU 71 7.003 24.275 -25.703 526 HB2 GLU 71 2HB GLU 71 4.984 22.544 -26.868 527 HB3 GLU 71 3HB GLU 71 4.902 24.169 -27.534 528 HG2 GLU 71 2HG GLU 71 7.231 24.061 -28.173 529 HG3 GLU 71 3HG GLU 71 7.387 22.474 -27.424 530 HA PRO 72 HA PRO 72 4.457 27.557 -23.953 531 HB2 PRO 72 2HB PRO 72 6.324 29.494 -24.308 532 HB3 PRO 72 3HB PRO 72 6.368 28.354 -22.959 533 HG2 PRO 72 2HG PRO 72 7.889 28.297 -25.535 534 HG3 PRO 72 3HG PRO 72 8.461 27.957 -23.891 535 HD2 PRO 72 2HD PRO 72 7.843 25.996 -25.653 536 HD3 PRO 72 3HD PRO 72 7.609 25.815 -23.903 537 H THR 73 H THR 73 3.191 29.101 -24.888 538 HA THR 73 HA THR 73 3.470 29.433 -27.793 539 HB THR 73 HB THR 73 1.040 30.097 -26.130 540 HG1 THR 73 HG1 THR 73 0.414 28.054 -26.321 541 HG21 THR 73 3HG2 THR 73 1.585 30.876 -28.641 542 HG22 THR 73 1HG2 THR 73 -0.045 30.509 -28.081 543 HG23 THR 73 2HG2 THR 73 0.874 29.298 -28.974 Start of MODEL 16 1 H1 GLY 1 H GLY 1 35.605 7.752 -10.385 2 HA2 GLY 1 2HA GLY 1 33.111 8.474 -11.544 3 HA3 GLY 1 3HA GLY 1 33.344 7.375 -10.193 4 HA PRO 2 HA PRO 2 32.990 11.851 -8.356 5 HB2 PRO 2 2HB PRO 2 32.037 13.747 -10.050 6 HB3 PRO 2 3HB PRO 2 33.763 13.414 -9.852 7 HG2 PRO 2 2HG PRO 2 31.887 12.486 -11.992 8 HG3 PRO 2 3HG PRO 2 33.546 13.090 -12.145 9 HD2 PRO 2 2HD PRO 2 32.946 10.451 -12.207 10 HD3 PRO 2 3HD PRO 2 34.472 11.067 -11.543 11 H SER 3 H SER 3 31.139 12.842 -7.435 12 HA SER 3 HA SER 3 28.562 11.846 -8.460 13 HB2 SER 3 2HB SER 3 28.510 12.251 -5.599 14 HB3 SER 3 3HB SER 3 28.127 10.800 -6.524 15 HG SER 3 HG SER 3 30.047 10.899 -4.948 16 H THR 4 H THR 4 26.699 13.131 -7.874 17 HA THR 4 HA THR 4 27.286 15.878 -7.037 18 HB THR 4 HB THR 4 25.655 16.650 -8.861 19 HG1 THR 4 HG1 THR 4 26.509 14.277 -10.163 20 HG21 THR 4 3HG2 THR 4 27.700 16.127 -10.608 21 HG22 THR 4 1HG2 THR 4 28.494 15.962 -9.044 22 HG23 THR 4 2HG2 THR 4 27.664 17.461 -9.456 23 H SER 5 H SER 5 25.604 16.937 -6.009 24 HA SER 5 HA SER 5 23.765 15.380 -4.595 25 HB2 SER 5 2HB SER 5 22.635 17.728 -4.249 26 HB3 SER 5 3HB SER 5 24.225 17.404 -3.557 27 HG SER 5 HG SER 5 25.038 18.875 -4.811 28 H MET 6 H MET 6 21.400 15.525 -4.639 29 HA MET 6 HA MET 6 20.027 16.432 -6.957 30 HB2 MET 6 2HB MET 6 20.991 14.541 -8.060 31 HB3 MET 6 3HB MET 6 20.599 13.479 -6.714 32 HG2 MET 6 2HG MET 6 18.365 13.372 -7.272 33 HG3 MET 6 3HG MET 6 18.414 14.880 -8.183 34 HE1 MET 6 3HE MET 6 19.334 10.669 -9.656 35 HE2 MET 6 1HE MET 6 20.311 11.292 -8.328 36 HE3 MET 6 2HE MET 6 18.562 11.165 -8.150 37 H GLU 7 H GLU 7 17.793 16.356 -6.715 38 HA GLU 7 HA GLU 7 16.826 15.217 -4.176 39 HB2 GLU 7 2HB GLU 7 16.196 17.887 -5.427 40 HB3 GLU 7 3HB GLU 7 15.176 17.163 -4.192 41 HG2 GLU 7 2HG GLU 7 17.492 16.991 -2.916 42 HG3 GLU 7 3HG GLU 7 17.879 18.351 -3.968 43 H ASN 8 H ASN 8 16.616 15.122 -7.476 44 HA ASN 8 HA ASN 8 13.945 13.901 -7.343 45 HB2 ASN 8 2HB ASN 8 14.870 15.463 -9.748 46 HB3 ASN 8 3HB ASN 8 13.241 14.924 -9.355 47 HD21 ASN 8 1HD2 ASN 8 12.980 15.719 -6.766 48 HD22 ASN 8 2HD2 ASN 8 13.043 17.443 -6.670 49 H LEU 9 H LEU 9 14.405 11.796 -7.564 50 HA LEU 9 HA LEU 9 16.497 10.920 -9.381 51 HB2 LEU 9 2HB LEU 9 15.928 8.659 -8.511 52 HB3 LEU 9 3HB LEU 9 16.438 9.811 -7.279 53 HG LEU 9 HG LEU 9 13.660 10.005 -7.321 54 HD11 LEU 9 1HD1 LEU 9 14.445 7.099 -7.305 55 HD12 LEU 9 2HD1 LEU 9 13.680 7.906 -8.672 56 HD13 LEU 9 3HD1 LEU 9 12.826 7.779 -7.135 57 HD21 LEU 9 3HD2 LEU 9 15.455 8.431 -5.477 58 HD22 LEU 9 1HD2 LEU 9 13.822 8.987 -5.109 59 HD23 LEU 9 2HD2 LEU 9 15.115 10.160 -5.366 60 H VAL 10 H VAL 10 13.673 12.033 -10.080 61 HA VAL 10 HA VAL 10 12.080 10.138 -11.274 62 HB VAL 10 HB VAL 10 11.577 12.583 -11.126 63 HG11 VAL 10 1HG1 VAL 10 12.345 14.040 -12.944 64 HG12 VAL 10 2HG1 VAL 10 13.690 13.447 -11.968 65 HG13 VAL 10 3HG1 VAL 10 13.367 12.736 -13.550 66 HG21 VAL 10 3HG2 VAL 10 10.273 12.664 -13.178 67 HG22 VAL 10 1HG2 VAL 10 11.249 11.366 -13.868 68 HG23 VAL 10 2HG2 VAL 10 10.214 11.048 -12.476 69 H SER 11 H SER 11 15.147 11.399 -12.363 70 HA SER 11 HA SER 11 14.909 10.150 -14.975 71 HB2 SER 11 2HB SER 11 16.638 11.478 -15.612 72 HB3 SER 11 3HB SER 11 16.230 12.376 -14.151 73 HG SER 11 HG SER 11 18.495 11.758 -14.399 74 H LEU 12 H LEU 12 16.567 9.641 -11.921 75 HA LEU 12 HA LEU 12 17.873 7.246 -12.987 76 HB2 LEU 12 2HB LEU 12 18.872 9.165 -11.402 77 HB3 LEU 12 3HB LEU 12 18.269 8.058 -10.172 78 HG LEU 12 HG LEU 12 19.667 6.269 -11.122 79 HD11 LEU 12 1HD1 LEU 12 21.547 7.438 -12.669 80 HD12 LEU 12 2HD1 LEU 12 20.108 8.313 -13.189 81 HD13 LEU 12 3HD1 LEU 12 20.158 6.554 -13.297 82 HD21 LEU 12 3HD2 LEU 12 21.743 7.050 -10.258 83 HD22 LEU 12 1HD2 LEU 12 20.463 7.809 -9.310 84 HD23 LEU 12 2HD2 LEU 12 21.304 8.734 -10.555 85 H GLN 13 H GLN 13 15.009 7.324 -12.553 86 HA GLN 13 HA GLN 13 14.114 6.194 -10.203 87 HB2 GLN 13 2HB GLN 13 13.172 5.668 -13.025 88 HB3 GLN 13 3HB GLN 13 12.292 5.186 -11.580 89 HG2 GLN 13 2HG GLN 13 13.060 8.033 -11.801 90 HG3 GLN 13 3HG GLN 13 11.801 7.447 -12.888 91 HE21 GLN 13 1HE2 GLN 13 10.414 8.926 -11.739 92 HE22 GLN 13 2HE2 GLN 13 9.710 8.445 -10.237 93 H ASN 14 H ASN 14 14.496 4.210 -13.128 94 HA ASN 14 HA ASN 14 16.252 2.329 -11.953 95 HB2 ASN 14 2HB ASN 14 14.763 0.464 -11.591 96 HB3 ASN 14 3HB ASN 14 14.183 1.832 -10.644 97 HD21 ASN 14 1HD2 ASN 14 12.223 2.715 -11.089 98 HD22 ASN 14 2HD2 ASN 14 11.118 2.062 -12.246 99 H LEU 15 H LEU 15 13.729 2.961 -14.328 100 HA LEU 15 HA LEU 15 14.332 0.955 -16.170 101 HB2 LEU 15 2HB LEU 15 12.753 3.346 -16.088 102 HB3 LEU 15 3HB LEU 15 13.596 3.245 -17.632 103 HG LEU 15 HG LEU 15 11.734 1.167 -16.481 104 HD11 LEU 15 1HD1 LEU 15 10.127 2.410 -17.373 105 HD12 LEU 15 2HD1 LEU 15 10.831 2.083 -18.956 106 HD13 LEU 15 3HD1 LEU 15 11.300 3.530 -18.067 107 HD21 LEU 15 3HD2 LEU 15 11.976 0.093 -18.692 108 HD22 LEU 15 1HD2 LEU 15 13.478 0.104 -17.768 109 HD23 LEU 15 2HD2 LEU 15 13.247 1.249 -19.090 110 H LEU 16 H LEU 16 15.021 1.856 -18.552 111 HA LEU 16 HA LEU 16 17.834 2.417 -18.261 112 HB2 LEU 16 2HB LEU 16 16.105 1.974 -20.688 113 HB3 LEU 16 3HB LEU 16 17.851 2.208 -20.743 114 HG LEU 16 HG LEU 16 16.665 -0.026 -19.136 115 HD11 LEU 16 1HD1 LEU 16 15.814 -0.936 -20.980 116 HD12 LEU 16 2HD1 LEU 16 17.476 -1.150 -21.527 117 HD13 LEU 16 3HD1 LEU 16 16.563 0.277 -22.019 118 HD21 LEU 16 3HD2 LEU 16 19.243 0.027 -20.668 119 HD22 LEU 16 1HD2 LEU 16 18.789 -0.978 -19.292 120 HD23 LEU 16 2HD2 LEU 16 19.115 0.739 -19.059 121 H VAL 17 H VAL 17 16.814 4.580 -17.242 122 HA VAL 17 HA VAL 17 17.121 6.617 -19.343 123 HB VAL 17 HB VAL 17 15.515 8.060 -18.102 124 HG11 VAL 17 1HG1 VAL 17 14.339 5.447 -19.044 125 HG12 VAL 17 2HG1 VAL 17 13.518 7.007 -18.971 126 HG13 VAL 17 3HG1 VAL 17 14.854 6.765 -20.097 127 HG21 VAL 17 3HG2 VAL 17 14.698 7.485 -16.116 128 HG22 VAL 17 1HG2 VAL 17 14.105 5.950 -16.751 129 HG23 VAL 17 2HG2 VAL 17 15.756 6.074 -16.141 130 H TYR 18 H TYR 18 18.417 8.317 -18.853 131 HA TYR 18 HA TYR 18 19.169 8.915 -16.134 132 HB2 TYR 18 2HB TYR 18 21.679 8.681 -16.867 133 HB3 TYR 18 3HB TYR 18 20.798 7.280 -16.269 134 HD1 TYR 18 HD2 TYR 18 20.882 8.945 -19.614 135 HD2 TYR 18 HD1 TYR 18 21.565 5.397 -17.367 136 HE1 TYR 18 HE2 TYR 18 21.402 7.736 -21.692 137 HE2 TYR 18 HE1 TYR 18 22.088 4.179 -19.438 138 HH TYR 18 HH TYR 18 22.863 4.680 -21.723 139 H VAL 19 H VAL 19 17.857 10.572 -17.735 140 HA VAL 19 HA VAL 19 19.786 12.695 -18.186 141 HB VAL 19 HB VAL 19 18.857 13.243 -20.426 142 HG11 VAL 19 1HG1 VAL 19 19.988 10.477 -20.558 143 HG12 VAL 19 2HG1 VAL 19 20.334 11.876 -21.575 144 HG13 VAL 19 3HG1 VAL 19 20.958 11.807 -19.927 145 HG21 VAL 19 3HG2 VAL 19 16.762 12.159 -20.449 146 HG22 VAL 19 1HG2 VAL 19 17.750 11.304 -21.634 147 HG23 VAL 19 2HG2 VAL 19 17.476 10.599 -20.042 148 H ASN 20 H ASN 20 18.996 14.467 -17.276 149 HA ASN 20 HA ASN 20 16.138 15.051 -17.487 150 HB2 ASN 20 2HB ASN 20 17.312 14.068 -15.124 151 HB3 ASN 20 3HB ASN 20 17.069 15.791 -14.860 152 HD21 ASN 20 1HD2 ASN 20 15.292 13.148 -16.432 153 HD22 ASN 20 2HD2 ASN 20 13.779 13.489 -15.671 154 H TRP 21 H TRP 21 16.078 16.954 -18.475 155 HA TRP 21 HA TRP 21 17.389 19.236 -17.323 156 HB2 TRP 21 2HB TRP 21 18.825 19.827 -19.097 157 HB3 TRP 21 3HB TRP 21 19.124 18.111 -18.837 158 HD1 TRP 21 HD1 TRP 21 18.336 20.520 -21.518 159 HE1 TRP 21 HE1 TRP 21 17.714 19.288 -23.690 160 HE3 TRP 21 HE3 TRP 21 17.704 15.812 -19.628 161 HZ2 TRP 21 HZ2 TRP 21 17.044 16.667 -24.496 162 HZ3 TRP 21 HZ3 TRP 21 17.072 13.999 -21.167 163 HH2 TRP 21 HH2 TRP 21 16.749 14.420 -23.550 164 H SER 22 H SER 22 17.209 20.950 -19.537 165 HA SER 22 HA SER 22 14.791 22.055 -19.445 166 HB2 SER 22 2HB SER 22 16.909 22.496 -21.031 167 HB3 SER 22 3HB SER 22 15.814 21.802 -22.226 168 HG SER 22 HG SER 22 15.785 24.207 -21.746 169 H SER 23 H SER 23 15.577 19.511 -21.817 170 HA SER 23 HA SER 23 12.743 19.158 -22.390 171 HB2 SER 23 2HB SER 23 14.794 17.392 -23.628 172 HB3 SER 23 3HB SER 23 13.375 18.148 -24.351 173 HG SER 23 HG SER 23 15.241 19.139 -25.129 174 H TYR 24 H TYR 24 12.733 18.461 -19.962 175 HA TYR 24 HA TYR 24 13.713 16.070 -19.033 176 HB2 TYR 24 2HB TYR 24 11.124 17.498 -18.467 177 HB3 TYR 24 3HB TYR 24 11.552 16.005 -17.639 178 HD1 TYR 24 HD2 TYR 24 14.431 16.352 -17.191 179 HD2 TYR 24 HD1 TYR 24 11.260 19.168 -16.854 180 HE1 TYR 24 HE2 TYR 24 15.750 17.633 -15.558 181 HE2 TYR 24 HE1 TYR 24 12.571 20.457 -15.221 182 HH TYR 24 HH TYR 24 15.273 20.662 -14.781 183 HA PRO 25 HA PRO 25 11.755 12.781 -21.179 184 HB2 PRO 25 2HB PRO 25 11.404 10.956 -19.200 185 HB3 PRO 25 3HB PRO 25 12.990 11.343 -19.879 186 HG2 PRO 25 2HG PRO 25 11.722 12.328 -17.354 187 HG3 PRO 25 3HG PRO 25 13.390 11.798 -17.635 188 HD2 PRO 25 2HD PRO 25 12.689 14.411 -17.535 189 HD3 PRO 25 3HD PRO 25 14.006 13.815 -18.564 190 H LYS 26 H LYS 26 9.759 11.985 -21.710 191 HA LYS 26 HA LYS 26 7.474 13.311 -20.716 192 HB2 LYS 26 2HB LYS 26 7.711 10.824 -22.419 193 HB3 LYS 26 3HB LYS 26 6.208 11.689 -22.124 194 HG2 LYS 26 2HG LYS 26 6.823 13.481 -23.431 195 HG3 LYS 26 3HG LYS 26 8.548 13.152 -23.253 196 HD2 LYS 26 2HD LYS 26 8.317 12.353 -25.357 197 HD3 LYS 26 3HD LYS 26 7.778 10.902 -24.510 198 HE2 LYS 26 2HE LYS 26 5.759 11.064 -25.423 199 HE3 LYS 26 3HE LYS 26 5.579 12.714 -24.828 200 HZ1 LYS 26 3HZ LYS 26 5.495 12.299 -27.342 201 HZ2 LYS 26 1HZ LYS 26 7.178 12.156 -27.242 202 HZ3 LYS 26 2HZ LYS 26 6.422 13.596 -26.777 203 H TYR 27 H TYR 27 5.693 12.498 -19.547 204 HA TYR 27 HA TYR 27 6.247 11.112 -17.232 205 HB2 TYR 27 2HB TYR 27 4.164 11.767 -16.765 206 HB3 TYR 27 3HB TYR 27 3.960 12.256 -18.444 207 HD1 TYR 27 HD1 TYR 27 3.446 9.500 -16.041 208 HD2 TYR 27 HD2 TYR 27 2.620 10.978 -19.945 209 HE1 TYR 27 HE1 TYR 27 1.735 7.757 -16.332 210 HE2 TYR 27 HE2 TYR 27 0.906 9.240 -20.246 211 HH TYR 27 HH TYR 27 -0.609 7.828 -18.517 212 H GLU 28 H GLU 28 6.445 9.035 -16.667 213 HA GLU 28 HA GLU 28 5.785 6.996 -18.691 214 HB2 GLU 28 2HB GLU 28 8.219 7.516 -17.261 215 HB3 GLU 28 3HB GLU 28 7.617 5.924 -16.822 216 HG2 GLU 28 2HG GLU 28 7.806 6.744 -19.690 217 HG3 GLU 28 3HG GLU 28 9.222 6.155 -18.822 218 HA PRO 29 HA PRO 29 2.865 5.857 -15.459 219 HB2 PRO 29 2HB PRO 29 1.469 4.131 -17.022 220 HB3 PRO 29 3HB PRO 29 1.240 5.882 -17.083 221 HG2 PRO 29 2HG PRO 29 2.839 4.116 -18.895 222 HG3 PRO 29 3HG PRO 29 1.763 5.463 -19.309 223 HD2 PRO 29 2HD PRO 29 4.458 5.721 -19.233 224 HD3 PRO 29 3HD PRO 29 3.359 7.053 -18.820 225 H GLY 30 H GLY 30 3.241 4.363 -13.948 226 HA2 GLY 30 2HA GLY 30 3.375 2.066 -13.267 227 HA3 GLY 30 3HA GLY 30 4.177 1.702 -14.789 228 H LYS 31 H LYS 31 5.149 4.524 -13.054 229 HA LYS 31 HA LYS 31 7.438 3.109 -11.888 230 HB2 LYS 31 2HB LYS 31 7.581 4.710 -14.205 231 HB3 LYS 31 3HB LYS 31 8.278 5.667 -12.905 232 HG2 LYS 31 2HG LYS 31 9.612 3.505 -12.376 233 HG3 LYS 31 3HG LYS 31 9.189 3.057 -14.030 234 HD2 LYS 31 2HD LYS 31 10.276 5.782 -13.597 235 HD3 LYS 31 3HD LYS 31 11.398 4.429 -13.430 236 HE2 LYS 31 2HE LYS 31 10.823 3.652 -15.660 237 HE3 LYS 31 3HE LYS 31 9.633 4.942 -15.823 238 HZ1 LYS 31 3HZ LYS 31 11.420 6.561 -15.668 239 HZ2 LYS 31 1HZ LYS 31 11.692 5.493 -16.953 240 HZ3 LYS 31 2HZ LYS 31 12.562 5.322 -15.512 241 H GLU 32 H GLU 32 7.488 3.563 -9.795 242 HA GLU 32 HA GLU 32 5.967 5.389 -8.440 243 HB2 GLU 32 2HB GLU 32 8.270 3.735 -7.839 244 HB3 GLU 32 3HB GLU 32 8.326 5.249 -6.947 245 HG2 GLU 32 2HG GLU 32 7.189 3.839 -5.517 246 HG3 GLU 32 3HG GLU 32 5.889 4.721 -6.317 247 H TYR 33 H TYR 33 6.037 7.514 -7.989 248 HA TYR 33 HA TYR 33 8.382 9.030 -8.933 249 HB2 TYR 33 2HB TYR 33 5.448 9.697 -9.124 250 HB3 TYR 33 3HB TYR 33 6.704 10.915 -9.312 251 HD1 TYR 33 HD2 TYR 33 8.576 10.293 -11.077 252 HD2 TYR 33 HD1 TYR 33 4.661 8.629 -11.015 253 HE1 TYR 33 HE2 TYR 33 8.794 9.707 -13.456 254 HE2 TYR 33 HE1 TYR 33 4.868 8.036 -13.393 255 HH TYR 33 HH TYR 33 7.893 8.484 -15.141 256 H ASN 34 H ASN 34 9.470 9.614 -7.163 257 HA ASN 34 HA ASN 34 8.168 10.138 -4.656 258 HB2 ASN 34 2HB ASN 34 10.525 10.808 -3.957 259 HB3 ASN 34 3HB ASN 34 10.315 9.144 -4.495 260 HD21 ASN 34 1HD2 ASN 34 12.174 11.858 -4.777 261 HD22 ASN 34 2HD2 ASN 34 12.980 11.493 -6.261 262 H GLN 35 H GLN 35 8.411 12.150 -3.458 263 HA GLN 35 HA GLN 35 7.410 14.362 -4.769 264 HB2 GLN 35 2HB GLN 35 7.739 15.572 -2.776 265 HB3 GLN 35 3HB GLN 35 7.519 13.905 -2.261 266 HG2 GLN 35 2HG GLN 35 9.937 13.656 -2.028 267 HG3 GLN 35 3HG GLN 35 10.156 15.328 -2.544 268 HE21 GLN 35 1HE2 GLN 35 8.728 13.290 -0.056 269 HE22 GLN 35 2HE2 GLN 35 8.795 14.468 1.206 270 H GLY 36 H GLY 36 8.234 16.053 -5.871 271 HA2 GLY 36 2HA GLY 36 9.946 17.616 -6.423 272 HA3 GLY 36 3HA GLY 36 11.143 16.453 -5.874 273 H ASP 37 H ASP 37 9.626 14.319 -7.406 274 HA ASP 37 HA ASP 37 11.216 14.260 -9.688 275 HB2 ASP 37 2HB ASP 37 8.686 12.844 -8.909 276 HB3 ASP 37 3HB ASP 37 9.375 12.610 -10.513 277 H ILE 38 H ILE 38 10.953 14.884 -11.786 278 HA ILE 38 HA ILE 38 8.505 16.379 -12.451 279 HB ILE 38 HB ILE 38 11.325 17.187 -13.172 280 HG12 ILE 38 2HG1 ILE 38 9.293 18.584 -11.419 281 HG13 ILE 38 3HG1 ILE 38 10.651 17.641 -10.814 282 HG21 ILE 38 1HG2 ILE 38 10.349 18.141 -14.938 283 HG22 ILE 38 2HG2 ILE 38 8.730 17.874 -14.296 284 HG23 ILE 38 3HG2 ILE 38 9.658 19.283 -13.786 285 HD11 ILE 38 3HD1 ILE 38 10.654 20.329 -11.255 286 HD12 ILE 38 1HD1 ILE 38 12.089 19.310 -11.136 287 HD13 ILE 38 2HD1 ILE 38 11.419 19.710 -12.718 288 H VAL 39 H VAL 39 7.682 16.067 -14.464 289 HA VAL 39 HA VAL 39 9.259 14.645 -16.465 290 HB VAL 39 HB VAL 39 7.651 12.915 -16.838 291 HG11 VAL 39 1HG1 VAL 39 8.188 13.133 -13.877 292 HG12 VAL 39 2HG1 VAL 39 7.792 11.655 -14.756 293 HG13 VAL 39 3HG1 VAL 39 9.307 12.497 -15.083 294 HG21 VAL 39 3HG2 VAL 39 5.535 13.699 -16.495 295 HG22 VAL 39 1HG2 VAL 39 5.751 12.796 -14.995 296 HG23 VAL 39 2HG2 VAL 39 5.970 14.546 -15.011 297 H GLU 40 H GLU 40 8.487 14.875 -18.588 298 HA GLU 40 HA GLU 40 6.847 17.231 -18.981 299 HB2 GLU 40 2HB GLU 40 8.875 17.013 -20.296 300 HB3 GLU 40 3HB GLU 40 8.333 15.467 -20.934 301 HG2 GLU 40 2HG GLU 40 6.461 16.599 -22.046 302 HG3 GLU 40 3HG GLU 40 7.054 18.144 -21.440 303 H TYR 41 H TYR 41 4.970 17.310 -20.270 304 HA TYR 41 HA TYR 41 3.723 14.809 -21.067 305 HB2 TYR 41 2HB TYR 41 3.121 15.249 -18.639 306 HB3 TYR 41 3HB TYR 41 2.247 16.669 -19.202 307 HD1 TYR 41 HD1 TYR 41 2.475 12.994 -19.839 308 HD2 TYR 41 HD2 TYR 41 0.004 16.456 -19.724 309 HE1 TYR 41 HE1 TYR 41 0.503 11.594 -20.288 310 HE2 TYR 41 HE2 TYR 41 -1.975 15.065 -20.171 311 HH TYR 41 HH TYR 41 -2.707 12.796 -20.003 312 H ASN 42 H ASN 42 3.243 15.241 -23.117 313 HA ASN 42 HA ASN 42 2.467 16.278 -24.987 314 HB2 ASN 42 2HB ASN 42 0.613 17.324 -22.865 315 HB3 ASN 42 3HB ASN 42 0.456 17.856 -24.536 316 HD21 ASN 42 1HD2 ASN 42 -1.427 16.359 -22.958 317 HD22 ASN 42 2HD2 ASN 42 -1.683 14.859 -23.776 318 H GLY 43 H GLY 43 4.661 17.527 -23.429 319 HA2 GLY 43 2HA GLY 43 6.017 19.326 -24.119 320 HA3 GLY 43 3HA GLY 43 4.597 20.107 -24.800 321 H LYS 44 H LYS 44 4.217 18.857 -21.642 322 HA LYS 44 HA LYS 44 4.412 21.587 -20.554 323 HB2 LYS 44 2HB LYS 44 2.235 19.920 -20.572 324 HB3 LYS 44 3HB LYS 44 2.917 19.606 -18.983 325 HG2 LYS 44 2HG LYS 44 1.850 21.408 -18.265 326 HG3 LYS 44 3HG LYS 44 2.959 22.377 -19.240 327 HD2 LYS 44 2HD LYS 44 0.687 22.981 -19.781 328 HD3 LYS 44 3HD LYS 44 1.409 22.143 -21.157 329 HE2 LYS 44 2HE LYS 44 -0.351 20.783 -21.133 330 HE3 LYS 44 3HE LYS 44 0.268 20.124 -19.620 331 HZ1 LYS 44 3HZ LYS 44 -1.099 21.549 -18.375 332 HZ2 LYS 44 1HZ LYS 44 -2.098 20.943 -19.599 333 HZ3 LYS 44 2HZ LYS 44 -1.479 22.513 -19.712 334 H LEU 45 H LEU 45 4.507 21.275 -17.941 335 HA LEU 45 HA LEU 45 6.549 19.300 -17.270 336 HB2 LEU 45 2HB LEU 45 6.878 22.277 -17.067 337 HB3 LEU 45 3HB LEU 45 7.806 21.167 -16.061 338 HG LEU 45 HG LEU 45 7.870 21.314 -19.075 339 HD11 LEU 45 1HD1 LEU 45 10.398 21.750 -17.964 340 HD12 LEU 45 2HD1 LEU 45 9.284 22.739 -17.020 341 HD13 LEU 45 3HD1 LEU 45 9.362 22.926 -18.772 342 HD21 LEU 45 3HD2 LEU 45 9.994 19.829 -18.426 343 HD22 LEU 45 1HD2 LEU 45 8.417 19.134 -18.799 344 HD23 LEU 45 2HD2 LEU 45 8.909 19.353 -17.119 345 H TYR 46 H TYR 46 5.858 18.292 -15.514 346 HA TYR 46 HA TYR 46 4.414 19.852 -13.472 347 HB2 TYR 46 2HB TYR 46 3.964 16.968 -14.264 348 HB3 TYR 46 3HB TYR 46 3.154 17.791 -12.936 349 HD1 TYR 46 HD2 TYR 46 3.395 17.467 -16.578 350 HD2 TYR 46 HD1 TYR 46 1.411 19.423 -13.362 351 HE1 TYR 46 HE2 TYR 46 1.646 18.232 -18.129 352 HE2 TYR 46 HE1 TYR 46 -0.344 20.193 -14.904 353 HH TYR 46 HH TYR 46 -1.000 18.947 -17.712 354 H LYS 47 H LYS 47 4.676 19.150 -11.277 355 HA LYS 47 HA LYS 47 7.044 17.477 -10.791 356 HB2 LYS 47 2HB LYS 47 7.870 19.706 -10.582 357 HB3 LYS 47 3HB LYS 47 6.467 20.209 -9.647 358 HG2 LYS 47 2HG LYS 47 7.306 19.425 -7.717 359 HG3 LYS 47 3HG LYS 47 8.030 18.009 -8.482 360 HD2 LYS 47 2HD LYS 47 9.972 19.076 -8.086 361 HD3 LYS 47 3HD LYS 47 9.548 20.006 -9.526 362 HE2 LYS 47 2HE LYS 47 8.361 21.614 -7.976 363 HE3 LYS 47 3HE LYS 47 9.126 20.756 -6.640 364 HZ1 LYS 47 3HZ LYS 47 10.483 22.231 -8.827 365 HZ2 LYS 47 1HZ LYS 47 11.294 21.255 -7.708 366 HZ3 LYS 47 2HZ LYS 47 10.461 22.631 -7.185 367 H ALA 48 H ALA 48 6.529 15.840 -9.512 368 HA ALA 48 HA ALA 48 4.067 15.582 -8.187 369 HB1 ALA 48 1HB ALA 48 4.973 13.535 -8.617 370 HB2 ALA 48 2HB ALA 48 6.613 14.053 -8.222 371 HB3 ALA 48 3HB ALA 48 5.459 13.716 -6.931 372 H LYS 49 H LYS 49 3.394 16.650 -6.457 373 HA LYS 49 HA LYS 49 5.028 18.184 -4.772 374 HB2 LYS 49 2HB LYS 49 2.324 17.079 -4.015 375 HB3 LYS 49 3HB LYS 49 3.077 18.565 -3.452 376 HG2 LYS 49 2HG LYS 49 2.991 19.305 -5.907 377 HG3 LYS 49 3HG LYS 49 1.847 17.977 -6.117 378 HD2 LYS 49 2HD LYS 49 0.200 19.084 -5.070 379 HD3 LYS 49 3HD LYS 49 1.277 19.665 -3.797 380 HE2 LYS 49 2HE LYS 49 2.183 21.275 -5.581 381 HE3 LYS 49 3HE LYS 49 0.735 20.859 -6.497 382 HZ1 LYS 49 3HZ LYS 49 -0.531 22.115 -5.183 383 HZ2 LYS 49 1HZ LYS 49 0.908 22.813 -4.630 384 HZ3 LYS 49 2HZ LYS 49 0.193 21.550 -3.762 385 H TYR 50 H TYR 50 3.499 15.018 -4.219 386 HA TYR 50 HA TYR 50 5.615 14.403 -2.292 387 HB2 TYR 50 2HB TYR 50 4.119 13.672 -0.598 388 HB3 TYR 50 3HB TYR 50 3.545 15.260 -1.096 389 HD1 TYR 50 HD2 TYR 50 1.783 15.111 -3.143 390 HD2 TYR 50 HD1 TYR 50 2.512 12.060 -0.269 391 HE1 TYR 50 HE2 TYR 50 -0.447 14.172 -3.584 392 HE2 TYR 50 HE1 TYR 50 0.283 11.112 -0.702 393 HH TYR 50 HH TYR 50 -2.069 12.763 -2.649 394 H TRP 51 H TRP 51 5.340 11.999 -1.581 395 HA TRP 51 HA TRP 51 5.785 10.366 -3.753 396 HB2 TRP 51 2HB TRP 51 5.973 10.030 -1.080 397 HB3 TRP 51 3HB TRP 51 4.544 9.054 -1.404 398 HD1 TRP 51 HD1 TRP 51 8.221 9.324 -2.604 399 HE1 TRP 51 HE1 TRP 51 9.010 6.967 -3.272 400 HE3 TRP 51 HE3 TRP 51 3.836 6.780 -1.938 401 HZ2 TRP 51 HZ2 TRP 51 7.918 4.372 -3.488 402 HZ3 TRP 51 HZ3 TRP 51 3.793 4.364 -2.397 403 HH2 TRP 51 HH2 TRP 51 5.793 3.186 -3.157 404 H THR 52 H THR 52 4.464 9.900 -5.376 405 HA THR 52 HA THR 52 1.903 8.693 -4.887 406 HB THR 52 HB THR 52 1.898 11.258 -6.481 407 HG1 THR 52 HG1 THR 52 2.093 11.984 -4.434 408 HG21 THR 52 3HG2 THR 52 -0.657 10.768 -5.683 409 HG22 THR 52 1HG2 THR 52 -0.046 9.129 -5.910 410 HG23 THR 52 2HG2 THR 52 0.012 10.285 -7.241 411 H THR 53 H THR 53 0.998 7.720 -6.761 412 HA THR 53 HA THR 53 2.770 7.680 -9.113 413 HB THR 53 HB THR 53 2.444 5.286 -9.364 414 HG1 THR 53 HG1 THR 53 0.764 4.439 -8.409 415 HG21 THR 53 3HG2 THR 53 4.086 4.727 -7.916 416 HG22 THR 53 1HG2 THR 53 3.196 5.324 -6.516 417 HG23 THR 53 2HG2 THR 53 4.081 6.452 -7.544 418 H SER 54 H SER 54 1.618 8.625 -10.674 419 HA SER 54 HA SER 54 -0.597 7.441 -11.859 420 HB2 SER 54 2HB SER 54 -1.301 8.988 -9.555 421 HB3 SER 54 3HB SER 54 -1.923 9.801 -10.992 422 HG SER 54 HG SER 54 -2.273 7.031 -10.723 423 HA PRO 55 HA PRO 55 0.603 10.239 -15.024 424 HB2 PRO 55 2HB PRO 55 -1.645 10.267 -16.545 425 HB3 PRO 55 3HB PRO 55 -0.548 8.882 -16.478 426 HG2 PRO 55 2HG PRO 55 -3.138 9.318 -15.041 427 HG3 PRO 55 3HG PRO 55 -2.535 7.856 -15.843 428 HD2 PRO 55 2HD PRO 55 -2.422 8.198 -13.159 429 HD3 PRO 55 3HD PRO 55 -1.200 7.275 -14.056 430 HA PRO 56 HA PRO 56 -0.801 14.290 -14.014 431 HB2 PRO 56 2HB PRO 56 -0.176 15.596 -16.311 432 HB3 PRO 56 3HB PRO 56 1.043 15.063 -15.146 433 HG2 PRO 56 2HG PRO 56 0.176 13.772 -17.705 434 HG3 PRO 56 3HG PRO 56 1.814 13.989 -17.059 435 HD2 PRO 56 2HD PRO 56 0.471 11.644 -16.874 436 HD3 PRO 56 3HD PRO 56 1.627 12.184 -15.638 437 H SER 57 H SER 57 -2.719 15.295 -14.034 438 HA SER 57 HA SER 57 -4.278 15.876 -16.269 439 HB2 SER 57 2HB SER 57 -4.600 13.159 -15.286 440 HB3 SER 57 3HB SER 57 -6.115 14.059 -15.218 441 HG SER 57 HG SER 57 -5.856 14.542 -17.422 442 H ASP 58 H ASP 58 -5.250 14.508 -13.127 443 HA ASP 58 HA ASP 58 -6.022 17.186 -12.229 444 HB2 ASP 58 2HB ASP 58 -7.966 15.806 -13.300 445 HB3 ASP 58 3HB ASP 58 -7.922 14.907 -11.786 446 H ASP 59 H ASP 59 -5.064 17.509 -10.345 447 HA ASP 59 HA ASP 59 -4.617 15.203 -8.571 448 HB2 ASP 59 2HB ASP 59 -2.950 16.997 -7.528 449 HB3 ASP 59 3HB ASP 59 -2.486 15.983 -8.891 450 HA PRO 60 HA PRO 60 -7.823 17.719 -6.424 451 HB2 PRO 60 2HB PRO 60 -9.116 15.570 -5.384 452 HB3 PRO 60 3HB PRO 60 -9.435 16.190 -7.008 453 HG2 PRO 60 2HG PRO 60 -7.734 13.876 -6.165 454 HG3 PRO 60 3HG PRO 60 -8.875 13.991 -7.518 455 HD2 PRO 60 2HD PRO 60 -6.199 14.234 -7.846 456 HD3 PRO 60 3HD PRO 60 -7.369 15.105 -8.859 457 H TYR 61 H TYR 61 -5.379 15.522 -5.507 458 HA TYR 61 HA TYR 61 -5.740 16.211 -2.665 459 HB2 TYR 61 2HB TYR 61 -3.940 14.179 -2.611 460 HB3 TYR 61 3HB TYR 61 -5.680 13.957 -2.466 461 HD1 TYR 61 HD1 TYR 61 -2.887 13.943 -4.914 462 HD2 TYR 61 HD2 TYR 61 -6.863 12.694 -4.055 463 HE1 TYR 61 HE1 TYR 61 -2.863 12.511 -6.914 464 HE2 TYR 61 HE2 TYR 61 -6.850 11.258 -6.051 465 HH TYR 61 HH TYR 61 -4.595 10.104 -7.473 466 H GLY 62 H GLY 62 -3.983 17.002 -5.346 467 HA2 GLY 62 2HA GLY 62 -2.197 18.473 -5.511 468 HA3 GLY 62 3HA GLY 62 -1.999 18.379 -3.767 469 H SER 63 H SER 63 -1.889 15.914 -6.333 470 HA SER 63 HA SER 63 0.560 14.860 -5.158 471 HB2 SER 63 2HB SER 63 -0.932 13.121 -5.659 472 HB3 SER 63 3HB SER 63 -1.398 13.839 -7.201 473 HG SER 63 HG SER 63 0.028 12.514 -7.990 474 H TRP 64 H TRP 64 -0.337 17.003 -7.590 475 HA TRP 64 HA TRP 64 2.367 16.902 -8.714 476 HB2 TRP 64 2HB TRP 64 -0.215 16.759 -10.242 477 HB3 TRP 64 3HB TRP 64 1.217 17.474 -10.976 478 HD1 TRP 64 HD1 TRP 64 -0.412 14.185 -10.328 479 HE1 TRP 64 HE1 TRP 64 1.124 12.271 -11.104 480 HE3 TRP 64 HE3 TRP 64 3.887 16.848 -11.078 481 HZ2 TRP 64 HZ2 TRP 64 3.803 11.934 -11.925 482 HZ3 TRP 64 HZ3 TRP 64 5.892 15.655 -11.859 483 HH2 TRP 64 HH2 TRP 64 5.850 13.249 -12.272 484 H GLU 65 H GLU 65 2.991 18.900 -9.814 485 HA GLU 65 HA GLU 65 1.355 21.241 -9.212 486 HB2 GLU 65 2HB GLU 65 3.017 20.708 -7.304 487 HB3 GLU 65 3HB GLU 65 4.257 21.248 -8.426 488 HG2 GLU 65 2HG GLU 65 2.984 23.399 -8.641 489 HG3 GLU 65 3HG GLU 65 1.967 22.843 -7.312 490 H TYR 66 H TYR 66 1.146 22.135 -11.155 491 HA TYR 66 HA TYR 66 2.982 21.807 -13.277 492 HB2 TYR 66 2HB TYR 66 0.744 22.238 -13.892 493 HB3 TYR 66 3HB TYR 66 0.637 23.646 -12.841 494 HD1 TYR 66 HD2 TYR 66 1.595 25.784 -13.524 495 HD2 TYR 66 HD1 TYR 66 1.767 22.388 -16.081 496 HE1 TYR 66 HE2 TYR 66 2.173 27.245 -15.416 497 HE2 TYR 66 HE1 TYR 66 2.348 23.840 -17.980 498 HH TYR 66 HH TYR 66 1.819 26.718 -18.323 499 H LEU 67 H LEU 67 4.954 22.646 -13.324 500 HA LEU 67 HA LEU 67 5.482 25.199 -12.001 501 HB2 LEU 67 2HB LEU 67 7.489 23.372 -13.296 502 HB3 LEU 67 3HB LEU 67 7.787 24.648 -12.117 503 HG LEU 67 HG LEU 67 6.347 22.056 -11.554 504 HD11 LEU 67 1HD1 LEU 67 8.465 21.277 -11.665 505 HD12 LEU 67 2HD1 LEU 67 8.551 21.960 -10.042 506 HD13 LEU 67 3HD1 LEU 67 9.184 22.868 -11.415 507 HD21 LEU 67 3HD2 LEU 67 7.251 23.235 -9.196 508 HD22 LEU 67 1HD2 LEU 67 5.583 23.115 -9.756 509 HD23 LEU 67 2HD2 LEU 67 6.535 24.554 -10.123 510 H GLY 68 H GLY 68 5.096 23.832 -15.135 511 HA2 GLY 68 2HA GLY 68 4.825 26.149 -16.539 512 HA3 GLY 68 3HA GLY 68 6.559 25.869 -16.548 513 H GLU 69 H GLU 69 6.338 25.723 -18.874 514 HA GLU 69 HA GLU 69 5.330 23.089 -19.731 515 HB2 GLU 69 2HB GLU 69 4.829 25.745 -20.783 516 HB3 GLU 69 3HB GLU 69 5.515 24.691 -22.012 517 HG2 GLU 69 2HG GLU 69 3.753 23.081 -21.678 518 HG3 GLU 69 3HG GLU 69 3.097 24.033 -20.347 519 H ALA 70 H ALA 70 6.553 21.932 -21.246 520 HA ALA 70 HA ALA 70 9.291 21.919 -20.937 521 HB1 ALA 70 1HB ALA 70 7.561 20.872 -23.159 522 HB2 ALA 70 2HB ALA 70 9.304 20.608 -23.114 523 HB3 ALA 70 3HB ALA 70 8.285 19.984 -21.818 524 H GLU 71 H GLU 71 7.342 23.761 -23.189 525 HA GLU 71 HA GLU 71 9.802 25.049 -24.176 526 HB2 GLU 71 2HB GLU 71 7.434 24.026 -25.624 527 HB3 GLU 71 3HB GLU 71 8.035 25.592 -26.150 528 HG2 GLU 71 2HG GLU 71 9.668 23.070 -25.967 529 HG3 GLU 71 3HG GLU 71 8.982 23.746 -27.444 530 HA PRO 72 HA PRO 72 7.736 28.462 -22.079 531 HB2 PRO 72 2HB PRO 72 9.914 30.082 -22.100 532 HB3 PRO 72 3HB PRO 72 9.693 28.784 -20.919 533 HG2 PRO 72 2HG PRO 72 11.328 28.804 -23.425 534 HG3 PRO 72 3HG PRO 72 11.741 28.161 -21.826 535 HD2 PRO 72 2HD PRO 72 10.910 26.580 -23.861 536 HD3 PRO 72 3HD PRO 72 10.550 26.217 -22.160 537 H THR 73 H THR 73 6.633 30.118 -22.946 538 HA THR 73 HA THR 73 7.157 30.812 -25.734 539 HB THR 73 HB THR 73 4.937 32.221 -25.177 540 HG1 THR 73 HG1 THR 73 3.688 31.108 -23.673 541 HG21 THR 73 3HG2 THR 73 4.591 29.278 -25.564 542 HG22 THR 73 1HG2 THR 73 5.447 30.215 -26.787 543 HG23 THR 73 2HG2 THR 73 3.781 30.619 -26.373 Start of MODEL 17 1 H1 GLY 1 H GLY 1 29.350 6.198 -9.853 2 HA2 GLY 1 2HA GLY 1 31.554 6.347 -7.887 3 HA3 GLY 1 3HA GLY 1 30.614 7.745 -8.389 4 HA PRO 2 HA PRO 2 28.828 5.671 -4.526 5 HB2 PRO 2 2HB PRO 2 29.414 7.653 -2.766 6 HB3 PRO 2 3HB PRO 2 30.509 6.305 -3.093 7 HG2 PRO 2 2HG PRO 2 30.559 9.095 -4.179 8 HG3 PRO 2 3HG PRO 2 31.905 8.095 -3.600 9 HD2 PRO 2 2HD PRO 2 31.353 8.411 -6.232 10 HD3 PRO 2 3HD PRO 2 32.042 6.914 -5.575 11 H SER 3 H SER 3 26.936 6.366 -3.405 12 HA SER 3 HA SER 3 25.677 8.777 -4.542 13 HB2 SER 3 2HB SER 3 24.849 6.319 -5.185 14 HB3 SER 3 3HB SER 3 23.958 6.503 -3.674 15 HG SER 3 HG SER 3 23.055 7.305 -5.844 16 H THR 4 H THR 4 24.076 9.808 -3.197 17 HA THR 4 HA THR 4 24.347 9.193 -0.331 18 HB THR 4 HB THR 4 24.227 11.998 -1.447 19 HG1 THR 4 HG1 THR 4 26.458 10.452 -0.578 20 HG21 THR 4 3HG2 THR 4 24.985 12.587 0.850 21 HG22 THR 4 1HG2 THR 4 24.783 10.896 1.308 22 HG23 THR 4 2HG2 THR 4 23.385 11.846 0.807 23 H SER 5 H SER 5 22.504 11.337 -2.513 24 HA SER 5 HA SER 5 20.021 10.245 -1.424 25 HB2 SER 5 2HB SER 5 20.995 12.622 -0.453 26 HB3 SER 5 3HB SER 5 19.929 13.164 -1.749 27 HG SER 5 HG SER 5 19.299 12.159 0.681 28 H MET 6 H MET 6 18.156 11.696 -2.638 29 HA MET 6 HA MET 6 18.773 12.308 -5.366 30 HB2 MET 6 2HB MET 6 18.799 9.879 -5.534 31 HB3 MET 6 3HB MET 6 17.224 9.784 -4.759 32 HG2 MET 6 2HG MET 6 16.131 10.211 -6.654 33 HG3 MET 6 3HG MET 6 17.256 11.483 -7.127 34 HE1 MET 6 3HE MET 6 19.858 10.711 -7.766 35 HE2 MET 6 1HE MET 6 19.864 9.795 -9.273 36 HE3 MET 6 2HE MET 6 18.850 11.230 -9.118 37 H GLU 7 H GLU 7 17.253 13.620 -6.231 38 HA GLU 7 HA GLU 7 14.675 13.834 -4.825 39 HB2 GLU 7 2HB GLU 7 16.417 16.091 -5.828 40 HB3 GLU 7 3HB GLU 7 14.768 16.291 -5.253 41 HG2 GLU 7 2HG GLU 7 15.344 16.063 -3.083 42 HG3 GLU 7 3HG GLU 7 16.635 14.913 -3.432 43 H ASN 8 H ASN 8 15.501 12.446 -7.315 44 HA ASN 8 HA ASN 8 13.270 12.993 -8.894 45 HB2 ASN 8 2HB ASN 8 14.188 15.054 -9.594 46 HB3 ASN 8 3HB ASN 8 15.804 14.373 -9.763 47 HD21 ASN 8 1HD2 ASN 8 12.956 15.189 -11.337 48 HD22 ASN 8 2HD2 ASN 8 13.271 14.419 -12.851 49 H LEU 9 H LEU 9 12.976 10.898 -9.343 50 HA LEU 9 HA LEU 9 15.201 9.195 -10.076 51 HB2 LEU 9 2HB LEU 9 13.596 8.204 -8.648 52 HB3 LEU 9 3HB LEU 9 12.260 8.721 -9.675 53 HG LEU 9 HG LEU 9 13.080 7.129 -11.417 54 HD11 LEU 9 1HD1 LEU 9 15.417 7.042 -10.503 55 HD12 LEU 9 2HD1 LEU 9 14.702 5.478 -10.892 56 HD13 LEU 9 3HD1 LEU 9 14.798 6.009 -9.214 57 HD21 LEU 9 3HD2 LEU 9 12.625 5.460 -9.022 58 HD22 LEU 9 1HD2 LEU 9 11.789 5.474 -10.575 59 HD23 LEU 9 2HD2 LEU 9 11.416 6.698 -9.362 60 H VAL 10 H VAL 10 12.882 11.127 -11.659 61 HA VAL 10 HA VAL 10 12.324 9.815 -14.009 62 HB VAL 10 HB VAL 10 13.015 12.749 -13.805 63 HG11 VAL 10 1HG1 VAL 10 12.761 11.659 -16.093 64 HG12 VAL 10 2HG1 VAL 10 11.058 11.446 -15.678 65 HG13 VAL 10 3HG1 VAL 10 11.751 13.066 -15.761 66 HG21 VAL 10 3HG2 VAL 10 10.441 12.894 -13.588 67 HG22 VAL 10 1HG2 VAL 10 10.555 11.217 -13.056 68 HG23 VAL 10 2HG2 VAL 10 11.395 12.484 -12.163 69 H SER 11 H SER 11 15.314 11.354 -13.027 70 HA SER 11 HA SER 11 16.574 11.417 -15.550 71 HB2 SER 11 2HB SER 11 17.536 11.509 -12.713 72 HB3 SER 11 3HB SER 11 18.707 11.320 -14.018 73 HG SER 11 HG SER 11 16.797 13.408 -13.778 74 H LEU 12 H LEU 12 16.592 9.002 -12.954 75 HA LEU 12 HA LEU 12 17.953 7.133 -14.771 76 HB2 LEU 12 2HB LEU 12 17.729 7.248 -11.778 77 HB3 LEU 12 3HB LEU 12 18.268 5.797 -12.622 78 HG LEU 12 HG LEU 12 20.074 7.307 -13.652 79 HD11 LEU 12 1HD1 LEU 12 19.321 9.468 -13.121 80 HD12 LEU 12 2HD1 LEU 12 20.688 9.177 -12.047 81 HD13 LEU 12 3HD1 LEU 12 19.041 9.047 -11.431 82 HD21 LEU 12 3HD2 LEU 12 20.845 5.693 -12.185 83 HD22 LEU 12 1HD2 LEU 12 19.946 6.354 -10.820 84 HD23 LEU 12 2HD2 LEU 12 21.382 7.186 -11.414 85 H GLN 13 H GLN 13 15.125 7.769 -14.936 86 HA GLN 13 HA GLN 13 13.732 5.482 -13.834 87 HB2 GLN 13 2HB GLN 13 12.985 8.055 -14.650 88 HB3 GLN 13 3HB GLN 13 12.226 6.968 -15.805 89 HG2 GLN 13 2HG GLN 13 10.890 5.993 -14.223 90 HG3 GLN 13 3HG GLN 13 11.999 6.358 -12.904 91 HE21 GLN 13 1HE2 GLN 13 10.811 7.499 -11.524 92 HE22 GLN 13 2HE2 GLN 13 9.933 8.936 -11.912 93 H ASN 14 H ASN 14 15.217 6.423 -16.817 94 HA ASN 14 HA ASN 14 14.457 3.832 -17.968 95 HB2 ASN 14 2HB ASN 14 14.474 6.446 -19.493 96 HB3 ASN 14 3HB ASN 14 14.127 4.856 -20.166 97 HD21 ASN 14 1HD2 ASN 14 12.146 3.933 -19.845 98 HD22 ASN 14 2HD2 ASN 14 10.814 4.774 -19.136 99 H LEU 15 H LEU 15 16.513 6.689 -18.551 100 HA LEU 15 HA LEU 15 18.715 4.842 -19.204 101 HB2 LEU 15 2HB LEU 15 17.710 7.246 -20.539 102 HB3 LEU 15 3HB LEU 15 19.456 7.229 -20.308 103 HG LEU 15 HG LEU 15 18.708 6.380 -22.522 104 HD11 LEU 15 1HD1 LEU 15 20.733 5.474 -22.335 105 HD12 LEU 15 2HD1 LEU 15 19.908 3.980 -21.893 106 HD13 LEU 15 3HD1 LEU 15 20.487 5.071 -20.635 107 HD21 LEU 15 3HD2 LEU 15 16.638 5.289 -21.709 108 HD22 LEU 15 1HD2 LEU 15 17.630 4.052 -20.937 109 HD23 LEU 15 2HD2 LEU 15 17.645 4.226 -22.693 110 H LEU 16 H LEU 16 20.915 6.034 -18.958 111 HA LEU 16 HA LEU 16 20.882 7.552 -16.433 112 HB2 LEU 16 2HB LEU 16 22.877 5.473 -17.320 113 HB3 LEU 16 3HB LEU 16 23.013 6.453 -15.862 114 HG LEU 16 HG LEU 16 20.627 5.325 -15.400 115 HD11 LEU 16 1HD1 LEU 16 20.675 4.058 -17.506 116 HD12 LEU 16 2HD1 LEU 16 20.633 3.007 -16.092 117 HD13 LEU 16 3HD1 LEU 16 22.145 3.245 -16.968 118 HD21 LEU 16 3HD2 LEU 16 23.388 4.279 -14.836 119 HD22 LEU 16 1HD2 LEU 16 21.939 3.547 -14.145 120 HD23 LEU 16 2HD2 LEU 16 22.334 5.228 -13.785 121 H VAL 17 H VAL 17 20.778 9.101 -18.526 122 HA VAL 17 HA VAL 17 23.408 9.699 -19.583 123 HB VAL 17 HB VAL 17 22.320 11.461 -20.853 124 HG11 VAL 17 1HG1 VAL 17 21.656 8.694 -20.983 125 HG12 VAL 17 2HG1 VAL 17 20.246 9.637 -21.471 126 HG13 VAL 17 3HG1 VAL 17 21.789 9.863 -22.298 127 HG21 VAL 17 3HG2 VAL 17 19.768 11.611 -20.639 128 HG22 VAL 17 1HG2 VAL 17 19.988 10.842 -19.067 129 HG23 VAL 17 2HG2 VAL 17 20.744 12.400 -19.400 130 H TYR 18 H TYR 18 24.279 11.918 -19.477 131 HA TYR 18 HA TYR 18 23.910 13.024 -16.779 132 HB2 TYR 18 2HB TYR 18 26.243 12.696 -18.567 133 HB3 TYR 18 3HB TYR 18 26.186 14.200 -17.655 134 HD1 TYR 18 HD1 TYR 18 25.228 13.582 -15.076 135 HD2 TYR 18 HD2 TYR 18 27.669 11.175 -17.596 136 HE1 TYR 18 HE1 TYR 18 26.113 12.419 -13.098 137 HE2 TYR 18 HE2 TYR 18 28.560 10.004 -15.625 138 HH TYR 18 HH TYR 18 27.937 11.101 -12.400 139 H VAL 19 H VAL 19 22.066 14.267 -17.370 140 HA VAL 19 HA VAL 19 22.617 16.924 -18.058 141 HB VAL 19 HB VAL 19 22.917 16.221 -20.328 142 HG11 VAL 19 1HG1 VAL 19 20.235 14.860 -20.094 143 HG12 VAL 19 2HG1 VAL 19 21.192 14.997 -21.570 144 HG13 VAL 19 3HG1 VAL 19 21.802 14.061 -20.205 145 HG21 VAL 19 3HG2 VAL 19 21.684 18.306 -19.993 146 HG22 VAL 19 1HG2 VAL 19 21.155 17.479 -21.459 147 HG23 VAL 19 2HG2 VAL 19 20.164 17.413 -20.002 148 H ASN 20 H ASN 20 21.056 18.134 -17.191 149 HA ASN 20 HA ASN 20 18.718 16.881 -16.102 150 HB2 ASN 20 2HB ASN 20 20.144 18.896 -15.191 151 HB3 ASN 20 3HB ASN 20 19.058 19.855 -16.194 152 HD21 ASN 20 1HD2 ASN 20 19.491 19.284 -13.187 153 HD22 ASN 20 2HD2 ASN 20 17.880 19.073 -12.601 154 H TRP 21 H TRP 21 18.081 16.213 -18.395 155 HA TRP 21 HA TRP 21 15.769 17.591 -19.143 156 HB2 TRP 21 2HB TRP 21 17.048 19.338 -20.086 157 HB3 TRP 21 3HB TRP 21 18.222 18.219 -20.776 158 HD1 TRP 21 HD1 TRP 21 14.360 18.445 -21.203 159 HE1 TRP 21 HE1 TRP 21 13.850 18.448 -23.726 160 HE3 TRP 21 HE3 TRP 21 19.145 18.310 -22.999 161 HZ2 TRP 21 HZ2 TRP 21 15.286 18.398 -26.156 162 HZ3 TRP 21 HZ3 TRP 21 19.489 18.289 -25.434 163 HH2 TRP 21 HH2 TRP 21 17.599 18.332 -26.979 164 H SER 22 H SER 22 18.221 16.192 -21.302 165 HA SER 22 HA SER 22 18.014 14.489 -22.828 166 HB2 SER 22 2HB SER 22 18.732 13.327 -20.776 167 HB3 SER 22 3HB SER 22 17.045 13.088 -20.323 168 HG SER 22 HG SER 22 18.563 11.825 -22.286 169 H SER 23 H SER 23 15.782 16.172 -22.928 170 HA SER 23 HA SER 23 13.695 16.275 -23.827 171 HB2 SER 23 2HB SER 23 14.865 13.925 -24.900 172 HB3 SER 23 3HB SER 23 13.195 13.529 -24.495 173 HG SER 23 HG SER 23 14.197 15.387 -26.331 174 H TYR 24 H TYR 24 12.293 16.704 -22.236 175 HA TYR 24 HA TYR 24 11.732 15.221 -19.988 176 HB2 TYR 24 2HB TYR 24 9.921 17.077 -21.542 177 HB3 TYR 24 3HB TYR 24 9.543 16.454 -19.940 178 HD1 TYR 24 HD2 TYR 24 11.881 16.700 -18.377 179 HD2 TYR 24 HD1 TYR 24 10.518 19.298 -21.458 180 HE1 TYR 24 HE2 TYR 24 13.131 18.557 -17.357 181 HE2 TYR 24 HE1 TYR 24 11.764 21.162 -20.447 182 HH TYR 24 HH TYR 24 14.016 20.673 -17.855 183 HA PRO 25 HA PRO 25 9.764 11.697 -21.969 184 HB2 PRO 25 2HB PRO 25 9.716 10.175 -19.722 185 HB3 PRO 25 3HB PRO 25 11.163 10.372 -20.718 186 HG2 PRO 25 2HG PRO 25 10.413 11.757 -18.173 187 HG3 PRO 25 3HG PRO 25 11.983 11.096 -18.666 188 HD2 PRO 25 2HD PRO 25 11.403 13.736 -18.814 189 HD3 PRO 25 3HD PRO 25 12.490 12.931 -19.965 190 H LYS 26 H LYS 26 7.662 11.106 -22.115 191 HA LYS 26 HA LYS 26 5.671 12.635 -20.836 192 HB2 LYS 26 2HB LYS 26 5.463 10.034 -22.361 193 HB3 LYS 26 3HB LYS 26 4.085 11.010 -21.872 194 HG2 LYS 26 2HG LYS 26 4.552 12.675 -23.392 195 HG3 LYS 26 3HG LYS 26 6.259 12.239 -23.504 196 HD2 LYS 26 2HD LYS 26 5.355 10.021 -24.515 197 HD3 LYS 26 3HD LYS 26 3.884 10.954 -24.796 198 HE2 LYS 26 2HE LYS 26 4.803 11.769 -26.646 199 HE3 LYS 26 3HE LYS 26 6.024 12.564 -25.655 200 HZ1 LYS 26 3HZ LYS 26 6.342 9.733 -26.400 201 HZ2 LYS 26 1HZ LYS 26 7.527 10.868 -25.991 202 HZ3 LYS 26 2HZ LYS 26 6.763 10.948 -27.498 203 H TYR 27 H TYR 27 4.074 12.017 -19.326 204 HA TYR 27 HA TYR 27 4.954 10.757 -17.037 205 HB2 TYR 27 2HB TYR 27 3.027 11.587 -16.274 206 HB3 TYR 27 3HB TYR 27 2.552 11.965 -17.926 207 HD1 TYR 27 HD1 TYR 27 2.354 9.405 -15.267 208 HD2 TYR 27 HD2 TYR 27 0.877 10.698 -19.042 209 HE1 TYR 27 HE1 TYR 27 0.529 7.763 -15.109 210 HE2 TYR 27 HE2 TYR 27 -0.951 9.061 -18.894 211 HH TYR 27 HH TYR 27 -2.063 7.665 -17.484 212 H GLU 28 H GLU 28 5.142 8.712 -16.362 213 HA GLU 28 HA GLU 28 4.016 6.594 -18.073 214 HB2 GLU 28 2HB GLU 28 6.693 7.024 -17.051 215 HB3 GLU 28 3HB GLU 28 6.066 5.462 -16.544 216 HG2 GLU 28 2HG GLU 28 5.805 6.271 -19.397 217 HG3 GLU 28 3HG GLU 28 7.366 5.718 -18.793 218 HA PRO 29 HA PRO 29 1.676 5.863 -14.298 219 HB2 PRO 29 2HB PRO 29 -0.065 4.128 -15.450 220 HB3 PRO 29 3HB PRO 29 -0.212 5.882 -15.607 221 HG2 PRO 29 2HG PRO 29 0.942 3.897 -17.528 222 HG3 PRO 29 3HG PRO 29 -0.122 5.279 -17.851 223 HD2 PRO 29 2HD PRO 29 2.552 5.369 -18.272 224 HD3 PRO 29 3HD PRO 29 1.614 6.793 -17.777 225 H GLY 30 H GLY 30 2.252 4.459 -12.766 226 HA2 GLY 30 2HA GLY 30 2.392 2.215 -11.935 227 HA3 GLY 30 3HA GLY 30 2.871 1.690 -13.542 228 H LYS 31 H LYS 31 4.302 4.556 -12.251 229 HA LYS 31 HA LYS 31 6.693 3.073 -11.418 230 HB2 LYS 31 2HB LYS 31 6.450 4.627 -13.809 231 HB3 LYS 31 3HB LYS 31 7.564 5.442 -12.717 232 HG2 LYS 31 2HG LYS 31 8.819 3.304 -12.506 233 HG3 LYS 31 3HG LYS 31 7.766 2.623 -13.748 234 HD2 LYS 31 2HD LYS 31 8.923 5.190 -14.507 235 HD3 LYS 31 3HD LYS 31 10.138 3.950 -14.187 236 HE2 LYS 31 2HE LYS 31 9.043 2.450 -15.759 237 HE3 LYS 31 3HE LYS 31 7.782 3.648 -16.047 238 HZ1 LYS 31 3HZ LYS 31 10.476 4.605 -16.465 239 HZ2 LYS 31 1HZ LYS 31 9.092 4.813 -17.416 240 HZ3 LYS 31 2HZ LYS 31 9.994 3.388 -17.536 241 H GLU 32 H GLU 32 7.150 3.657 -9.409 242 HA GLU 32 HA GLU 32 6.011 5.680 -7.952 243 HB2 GLU 32 2HB GLU 32 8.314 3.923 -7.649 244 HB3 GLU 32 3HB GLU 32 8.555 5.473 -6.856 245 HG2 GLU 32 2HG GLU 32 7.385 4.716 -5.142 246 HG3 GLU 32 3HG GLU 32 5.961 4.677 -6.180 247 H TYR 33 H TYR 33 6.261 7.821 -7.746 248 HA TYR 33 HA TYR 33 8.512 9.084 -9.168 249 HB2 TYR 33 2HB TYR 33 5.635 9.960 -8.939 250 HB3 TYR 33 3HB TYR 33 6.918 11.051 -9.446 251 HD1 TYR 33 HD2 TYR 33 8.423 10.109 -11.422 252 HD2 TYR 33 HD1 TYR 33 4.455 8.831 -10.570 253 HE1 TYR 33 HE2 TYR 33 8.189 9.313 -13.737 254 HE2 TYR 33 HE1 TYR 33 4.210 8.030 -12.884 255 HH TYR 33 HH TYR 33 6.132 7.219 -14.762 256 H ASN 34 H ASN 34 9.910 9.730 -7.658 257 HA ASN 34 HA ASN 34 9.080 10.524 -5.026 258 HB2 ASN 34 2HB ASN 34 11.749 10.466 -6.430 259 HB3 ASN 34 3HB ASN 34 11.560 11.102 -4.799 260 HD21 ASN 34 1HD2 ASN 34 10.607 8.252 -6.690 261 HD22 ASN 34 2HD2 ASN 34 10.963 7.102 -5.450 262 H GLN 35 H GLN 35 9.798 12.610 -4.067 263 HA GLN 35 HA GLN 35 8.631 14.782 -5.323 264 HB2 GLN 35 2HB GLN 35 9.453 16.110 -3.565 265 HB3 GLN 35 3HB GLN 35 9.273 14.506 -2.866 266 HG2 GLN 35 2HG GLN 35 11.667 14.112 -3.153 267 HG3 GLN 35 3HG GLN 35 11.845 15.724 -3.843 268 HE21 GLN 35 1HE2 GLN 35 10.243 14.325 -0.998 269 HE22 GLN 35 2HE2 GLN 35 10.907 15.445 0.137 270 H GLY 36 H GLY 36 9.297 16.354 -6.692 271 HA2 GLY 36 2HA GLY 36 10.913 17.722 -7.763 272 HA3 GLY 36 3HA GLY 36 12.145 16.535 -7.361 273 H ASP 37 H ASP 37 10.287 14.361 -8.322 274 HA ASP 37 HA ASP 37 11.339 13.989 -10.858 275 HB2 ASP 37 2HB ASP 37 8.978 12.843 -9.415 276 HB3 ASP 37 3HB ASP 37 9.221 12.455 -11.117 277 H ILE 38 H ILE 38 10.839 14.668 -12.854 278 HA ILE 38 HA ILE 38 8.337 16.188 -13.206 279 HB ILE 38 HB ILE 38 11.022 16.792 -14.451 280 HG12 ILE 38 2HG1 ILE 38 9.786 18.951 -12.990 281 HG13 ILE 38 3HG1 ILE 38 9.943 17.534 -11.958 282 HG21 ILE 38 1HG2 ILE 38 9.365 18.926 -14.943 283 HG22 ILE 38 2HG2 ILE 38 9.805 17.673 -16.102 284 HG23 ILE 38 3HG2 ILE 38 8.305 17.538 -15.184 285 HD11 ILE 38 3HD1 ILE 38 12.338 17.433 -12.522 286 HD12 ILE 38 1HD1 ILE 38 12.152 18.913 -13.463 287 HD13 ILE 38 2HD1 ILE 38 11.878 18.935 -11.720 288 H VAL 39 H VAL 39 7.137 15.751 -14.981 289 HA VAL 39 HA VAL 39 8.274 14.135 -17.132 290 HB VAL 39 HB VAL 39 6.506 12.500 -17.096 291 HG11 VAL 39 1HG1 VAL 39 8.517 12.143 -15.671 292 HG12 VAL 39 2HG1 VAL 39 7.593 12.754 -14.297 293 HG13 VAL 39 3HG1 VAL 39 7.084 11.278 -15.118 294 HG21 VAL 39 3HG2 VAL 39 5.044 12.578 -14.892 295 HG22 VAL 39 1HG2 VAL 39 5.359 14.308 -15.035 296 HG23 VAL 39 2HG2 VAL 39 4.564 13.444 -16.352 297 H GLU 40 H GLU 40 7.118 14.240 -19.094 298 HA GLU 40 HA GLU 40 5.573 16.674 -19.385 299 HB2 GLU 40 2HB GLU 40 7.315 16.168 -21.019 300 HB3 GLU 40 3HB GLU 40 6.512 14.659 -21.432 301 HG2 GLU 40 2HG GLU 40 4.588 15.912 -22.269 302 HG3 GLU 40 3HG GLU 40 5.401 17.423 -21.864 303 H TYR 41 H TYR 41 3.498 16.786 -20.339 304 HA TYR 41 HA TYR 41 1.975 14.333 -20.651 305 HB2 TYR 41 2HB TYR 41 1.870 14.998 -18.204 306 HB3 TYR 41 3HB TYR 41 0.997 16.437 -18.719 307 HD1 TYR 41 HD1 TYR 41 0.867 12.719 -19.075 308 HD2 TYR 41 HD2 TYR 41 -1.315 16.361 -18.786 309 HE1 TYR 41 HE1 TYR 41 -1.238 11.448 -19.030 310 HE2 TYR 41 HE2 TYR 41 -3.425 15.100 -18.739 311 HH TYR 41 HH TYR 41 -3.531 11.707 -18.309 312 H ASN 42 H ASN 42 1.133 14.639 -22.604 313 HA ASN 42 HA ASN 42 0.102 15.593 -24.396 314 HB2 ASN 42 2HB ASN 42 -1.509 16.002 -22.177 315 HB3 ASN 42 3HB ASN 42 -1.417 17.599 -22.914 316 HD21 ASN 42 1HD2 ASN 42 -3.144 14.839 -22.841 317 HD22 ASN 42 2HD2 ASN 42 -3.881 14.902 -24.402 318 H GLY 43 H GLY 43 2.590 16.823 -23.344 319 HA2 GLY 43 2HA GLY 43 3.877 18.492 -24.400 320 HA3 GLY 43 3HA GLY 43 2.392 19.301 -24.879 321 H LYS 44 H LYS 44 2.599 18.278 -21.610 322 HA LYS 44 HA LYS 44 3.068 21.069 -20.790 323 HB2 LYS 44 2HB LYS 44 1.418 18.889 -19.508 324 HB3 LYS 44 3HB LYS 44 1.810 20.402 -18.701 325 HG2 LYS 44 2HG LYS 44 0.791 21.297 -21.057 326 HG3 LYS 44 3HG LYS 44 -0.158 19.833 -20.791 327 HD2 LYS 44 2HD LYS 44 -1.252 20.716 -19.031 328 HD3 LYS 44 3HD LYS 44 0.189 21.532 -18.418 329 HE2 LYS 44 2HE LYS 44 -0.294 23.451 -19.490 330 HE3 LYS 44 3HE LYS 44 -0.868 22.617 -20.933 331 HZ1 LYS 44 3HZ LYS 44 -2.432 22.796 -18.419 332 HZ2 LYS 44 1HZ LYS 44 -2.970 22.253 -19.928 333 HZ3 LYS 44 2HZ LYS 44 -2.598 23.888 -19.702 334 H LEU 45 H LEU 45 3.675 20.977 -18.253 335 HA LEU 45 HA LEU 45 5.727 18.941 -17.808 336 HB2 LEU 45 2HB LEU 45 6.194 21.911 -17.860 337 HB3 LEU 45 3HB LEU 45 7.275 20.794 -17.031 338 HG LEU 45 HG LEU 45 6.680 20.818 -19.990 339 HD11 LEU 45 1HD1 LEU 45 8.104 22.573 -19.832 340 HD12 LEU 45 2HD1 LEU 45 9.300 21.276 -19.820 341 HD13 LEU 45 3HD1 LEU 45 8.794 22.023 -18.304 342 HD21 LEU 45 3HD2 LEU 45 7.103 18.566 -19.238 343 HD22 LEU 45 1HD2 LEU 45 8.527 19.096 -18.341 344 HD23 LEU 45 2HD2 LEU 45 8.518 19.167 -20.103 345 H TYR 46 H TYR 46 5.260 18.079 -15.905 346 HA TYR 46 HA TYR 46 4.358 19.861 -13.739 347 HB2 TYR 46 2HB TYR 46 3.548 16.984 -14.206 348 HB3 TYR 46 3HB TYR 46 3.040 17.984 -12.851 349 HD1 TYR 46 HD1 TYR 46 2.665 17.383 -16.452 350 HD2 TYR 46 HD2 TYR 46 1.356 19.695 -13.130 351 HE1 TYR 46 HE1 TYR 46 0.745 18.177 -17.769 352 HE2 TYR 46 HE2 TYR 46 -0.567 20.495 -14.436 353 HH TYR 46 HH TYR 46 -1.872 19.291 -16.717 354 H LYS 47 H LYS 47 4.967 19.236 -11.585 355 HA LYS 47 HA LYS 47 7.225 17.364 -11.425 356 HB2 LYS 47 2HB LYS 47 8.290 19.496 -11.576 357 HB3 LYS 47 3HB LYS 47 7.162 20.211 -10.431 358 HG2 LYS 47 2HG LYS 47 8.256 19.394 -8.627 359 HG3 LYS 47 3HG LYS 47 8.768 17.927 -9.464 360 HD2 LYS 47 2HD LYS 47 10.791 18.889 -9.525 361 HD3 LYS 47 3HD LYS 47 10.124 19.877 -10.826 362 HE2 LYS 47 2HE LYS 47 9.527 21.612 -9.250 363 HE3 LYS 47 3HE LYS 47 10.063 20.610 -7.900 364 HZ1 LYS 47 3HZ LYS 47 11.575 22.415 -9.332 365 HZ2 LYS 47 1HZ LYS 47 12.128 20.894 -9.824 366 HZ3 LYS 47 2HZ LYS 47 12.133 21.307 -8.183 367 H ALA 48 H ALA 48 6.893 15.912 -9.886 368 HA ALA 48 HA ALA 48 4.707 16.006 -8.114 369 HB1 ALA 48 1HB ALA 48 6.985 14.257 -7.415 370 HB2 ALA 48 2HB ALA 48 5.267 13.883 -7.561 371 HB3 ALA 48 3HB ALA 48 6.265 14.024 -9.008 372 H LYS 49 H LYS 49 4.491 17.270 -6.397 373 HA LYS 49 HA LYS 49 6.531 18.763 -5.210 374 HB2 LYS 49 2HB LYS 49 3.986 17.918 -3.828 375 HB3 LYS 49 3HB LYS 49 4.935 19.369 -3.535 376 HG2 LYS 49 2HG LYS 49 4.388 19.986 -5.959 377 HG3 LYS 49 3HG LYS 49 3.150 18.733 -5.854 378 HD2 LYS 49 2HD LYS 49 1.822 19.989 -4.548 379 HD3 LYS 49 3HD LYS 49 3.176 20.592 -3.589 380 HE2 LYS 49 2HE LYS 49 3.740 22.021 -5.640 381 HE3 LYS 49 3HE LYS 49 2.118 21.622 -6.203 382 HZ1 LYS 49 3HZ LYS 49 1.727 22.418 -3.636 383 HZ2 LYS 49 1HZ LYS 49 1.473 23.370 -5.011 384 HZ3 LYS 49 2HZ LYS 49 2.938 23.470 -4.173 385 H TYR 50 H TYR 50 4.986 15.759 -4.098 386 HA TYR 50 HA TYR 50 7.423 15.132 -2.603 387 HB2 TYR 50 2HB TYR 50 6.280 14.623 -0.583 388 HB3 TYR 50 3HB TYR 50 5.707 16.211 -1.078 389 HD1 TYR 50 HD2 TYR 50 3.542 16.069 -2.683 390 HD2 TYR 50 HD1 TYR 50 4.694 13.143 0.183 391 HE1 TYR 50 HE2 TYR 50 1.219 15.267 -2.577 392 HE2 TYR 50 HE1 TYR 50 2.374 12.332 0.298 393 HH TYR 50 HH TYR 50 -0.217 14.015 -0.789 394 H TRP 51 H TRP 51 7.113 12.806 -1.617 395 HA TRP 51 HA TRP 51 7.047 10.988 -3.688 396 HB2 TRP 51 2HB TRP 51 7.686 10.833 -1.065 397 HB3 TRP 51 3HB TRP 51 6.164 9.950 -1.060 398 HD1 TRP 51 HD1 TRP 51 9.518 9.869 -3.020 399 HE1 TRP 51 HE1 TRP 51 10.051 7.411 -3.564 400 HE3 TRP 51 HE3 TRP 51 5.319 7.680 -1.090 401 HZ2 TRP 51 HZ2 TRP 51 8.851 4.878 -3.221 402 HZ3 TRP 51 HZ3 TRP 51 5.090 5.235 -1.238 403 HH2 TRP 51 HH2 TRP 51 6.820 3.865 -2.283 404 H THR 52 H THR 52 5.484 10.168 -4.904 405 HA THR 52 HA THR 52 2.996 9.274 -3.938 406 HB THR 52 HB THR 52 2.565 11.730 -3.788 407 HG1 THR 52 HG1 THR 52 0.868 10.178 -4.204 408 HG21 THR 52 3HG2 THR 52 2.963 13.136 -5.480 409 HG22 THR 52 1HG2 THR 52 2.140 12.093 -6.637 410 HG23 THR 52 2HG2 THR 52 3.838 11.815 -6.252 411 H THR 53 H THR 53 1.685 8.322 -5.581 412 HA THR 53 HA THR 53 2.968 8.145 -8.226 413 HB THR 53 HB THR 53 1.585 5.699 -7.446 414 HG1 THR 53 HG1 THR 53 3.260 5.050 -5.978 415 HG21 THR 53 3HG2 THR 53 4.100 6.542 -8.775 416 HG22 THR 53 1HG2 THR 53 2.886 5.372 -9.289 417 HG23 THR 53 2HG2 THR 53 4.069 4.932 -8.056 418 H SER 54 H SER 54 1.583 9.091 -9.580 419 HA SER 54 HA SER 54 -0.898 7.993 -10.224 420 HB2 SER 54 2HB SER 54 -2.091 8.785 -8.446 421 HB3 SER 54 3HB SER 54 -0.960 10.103 -8.140 422 HG SER 54 HG SER 54 -2.239 11.352 -9.223 423 HA PRO 55 HA PRO 55 -0.156 10.466 -13.777 424 HB2 PRO 55 2HB PRO 55 -2.648 10.540 -14.852 425 HB3 PRO 55 3HB PRO 55 -1.634 9.093 -14.876 426 HG2 PRO 55 2HG PRO 55 -3.875 9.804 -13.024 427 HG3 PRO 55 3HG PRO 55 -3.515 8.250 -13.802 428 HD2 PRO 55 2HD PRO 55 -2.874 8.771 -11.222 429 HD3 PRO 55 3HD PRO 55 -1.897 7.707 -12.253 430 HA PRO 56 HA PRO 56 -1.124 14.665 -12.865 431 HB2 PRO 56 2HB PRO 56 -0.894 15.758 -15.340 432 HB3 PRO 56 3HB PRO 56 0.500 15.229 -14.389 433 HG2 PRO 56 2HG PRO 56 -0.917 13.819 -16.617 434 HG3 PRO 56 3HG PRO 56 0.824 13.970 -16.318 435 HD2 PRO 56 2HD PRO 56 -0.575 11.742 -15.684 436 HD3 PRO 56 3HD PRO 56 0.826 12.289 -14.741 437 H SER 57 H SER 57 -2.958 15.784 -12.595 438 HA SER 57 HA SER 57 -4.887 16.327 -14.524 439 HB2 SER 57 2HB SER 57 -5.770 14.216 -14.688 440 HB3 SER 57 3HB SER 57 -5.279 13.768 -13.054 441 HG SER 57 HG SER 57 -7.626 14.858 -13.939 442 H ASP 58 H ASP 58 -5.255 15.206 -11.161 443 HA ASP 58 HA ASP 58 -5.750 17.968 -10.327 444 HB2 ASP 58 2HB ASP 58 -7.789 15.987 -10.631 445 HB3 ASP 58 3HB ASP 58 -7.596 16.330 -8.914 446 H ASP 59 H ASP 59 -4.409 18.374 -8.712 447 HA ASP 59 HA ASP 59 -3.676 16.176 -6.895 448 HB2 ASP 59 2HB ASP 59 -1.786 18.001 -6.364 449 HB3 ASP 59 3HB ASP 59 -1.624 16.818 -7.659 450 HA PRO 60 HA PRO 60 -6.283 18.987 -4.339 451 HB2 PRO 60 2HB PRO 60 -7.408 16.980 -2.898 452 HB3 PRO 60 3HB PRO 60 -8.033 17.504 -4.465 453 HG2 PRO 60 2HG PRO 60 -6.276 15.170 -3.812 454 HG3 PRO 60 3HG PRO 60 -7.667 15.250 -4.908 455 HD2 PRO 60 2HD PRO 60 -5.109 15.339 -5.793 456 HD3 PRO 60 3HD PRO 60 -6.432 16.196 -6.610 457 H TYR 61 H TYR 61 -3.871 16.608 -3.713 458 HA TYR 61 HA TYR 61 -3.545 17.616 -0.963 459 HB2 TYR 61 2HB TYR 61 -2.003 15.400 -0.981 460 HB3 TYR 61 3HB TYR 61 -3.706 15.391 -0.533 461 HD1 TYR 61 HD1 TYR 61 -1.426 14.886 -3.431 462 HD2 TYR 61 HD2 TYR 61 -5.225 14.057 -1.704 463 HE1 TYR 61 HE1 TYR 61 -1.884 13.273 -5.229 464 HE2 TYR 61 HE2 TYR 61 -5.693 12.440 -3.496 465 HH TYR 61 HH TYR 61 -4.980 11.966 -5.780 466 H GLY 62 H GLY 62 -2.513 18.568 -3.701 467 HA2 GLY 62 2HA GLY 62 -0.611 19.588 -4.484 468 HA3 GLY 62 3HA GLY 62 -0.051 19.581 -2.818 469 H SER 63 H SER 63 -0.703 16.973 -5.153 470 HA SER 63 HA SER 63 1.823 15.730 -4.416 471 HB2 SER 63 2HB SER 63 0.474 13.935 -4.619 472 HB3 SER 63 3HB SER 63 -0.716 14.831 -5.561 473 HG SER 63 HG SER 63 0.066 13.937 -7.281 474 H TRP 64 H TRP 64 0.611 17.786 -6.817 475 HA TRP 64 HA TRP 64 3.050 17.397 -8.397 476 HB2 TRP 64 2HB TRP 64 0.221 17.371 -9.408 477 HB3 TRP 64 3HB TRP 64 1.534 17.915 -10.448 478 HD1 TRP 64 HD1 TRP 64 -0.149 14.816 -9.211 479 HE1 TRP 64 HE1 TRP 64 1.067 12.737 -10.117 480 HE3 TRP 64 HE3 TRP 64 4.058 17.070 -11.045 481 HZ2 TRP 64 HZ2 TRP 64 3.489 12.132 -11.434 482 HZ3 TRP 64 HZ3 TRP 64 5.776 15.670 -12.113 483 HH2 TRP 64 HH2 TRP 64 5.496 13.252 -12.302 484 H GLU 65 H GLU 65 3.545 19.262 -9.797 485 HA GLU 65 HA GLU 65 2.239 21.763 -9.067 486 HB2 GLU 65 2HB GLU 65 4.156 21.284 -7.453 487 HB3 GLU 65 3HB GLU 65 5.232 21.509 -8.825 488 HG2 GLU 65 2HG GLU 65 4.678 23.770 -9.038 489 HG3 GLU 65 3HG GLU 65 3.240 23.601 -8.032 490 H TYR 66 H TYR 66 1.722 22.578 -10.985 491 HA TYR 66 HA TYR 66 3.069 21.950 -13.396 492 HB2 TYR 66 2HB TYR 66 0.786 22.512 -13.601 493 HB3 TYR 66 3HB TYR 66 0.977 23.990 -12.664 494 HD1 TYR 66 HD2 TYR 66 1.918 25.997 -13.686 495 HD2 TYR 66 HD1 TYR 66 1.361 22.438 -15.950 496 HE1 TYR 66 HE2 TYR 66 2.204 27.282 -15.764 497 HE2 TYR 66 HE1 TYR 66 1.646 23.713 -18.035 498 HH TYR 66 HH TYR 66 2.373 27.188 -17.978 499 H LEU 67 H LEU 67 5.049 22.623 -13.875 500 HA LEU 67 HA LEU 67 5.978 25.218 -12.900 501 HB2 LEU 67 2HB LEU 67 7.740 23.404 -14.452 502 HB3 LEU 67 3HB LEU 67 8.117 24.441 -13.077 503 HG LEU 67 HG LEU 67 6.567 22.620 -11.854 504 HD11 LEU 67 1HD1 LEU 67 6.246 20.759 -13.011 505 HD12 LEU 67 2HD1 LEU 67 7.986 20.575 -13.227 506 HD13 LEU 67 3HD1 LEU 67 7.043 21.490 -14.404 507 HD21 LEU 67 3HD2 LEU 67 8.538 22.859 -10.791 508 HD22 LEU 67 1HD2 LEU 67 9.460 22.944 -12.293 509 HD23 LEU 67 2HD2 LEU 67 8.956 21.379 -11.657 510 H GLY 68 H GLY 68 4.847 23.696 -15.750 511 HA2 GLY 68 2HA GLY 68 4.502 25.906 -17.286 512 HA3 GLY 68 3HA GLY 68 6.175 25.468 -17.599 513 H GLU 69 H GLU 69 5.436 25.201 -19.821 514 HA GLU 69 HA GLU 69 4.127 22.591 -20.228 515 HB2 GLU 69 2HB GLU 69 3.517 25.186 -21.331 516 HB3 GLU 69 3HB GLU 69 3.933 24.062 -22.617 517 HG2 GLU 69 2HG GLU 69 2.233 22.515 -21.861 518 HG3 GLU 69 3HG GLU 69 1.849 23.571 -20.503 519 H ALA 70 H ALA 70 4.912 21.268 -21.907 520 HA ALA 70 HA ALA 70 7.651 21.061 -22.165 521 HB1 ALA 70 1HB ALA 70 5.434 20.035 -23.917 522 HB2 ALA 70 2HB ALA 70 7.129 19.632 -24.194 523 HB3 ALA 70 3HB ALA 70 6.347 19.167 -22.683 524 H GLU 71 H GLU 71 5.367 22.455 -24.520 525 HA GLU 71 HA GLU 71 7.641 23.898 -25.716 526 HB2 GLU 71 2HB GLU 71 5.434 22.362 -26.981 527 HB3 GLU 71 3HB GLU 71 5.933 23.847 -27.776 528 HG2 GLU 71 2HG GLU 71 8.329 22.649 -27.278 529 HG3 GLU 71 3HG GLU 71 7.284 21.266 -27.593 530 HA PRO 72 HA PRO 72 5.052 27.276 -24.233 531 HB2 PRO 72 2HB PRO 72 6.975 29.170 -24.529 532 HB3 PRO 72 3HB PRO 72 6.912 28.073 -23.144 533 HG2 PRO 72 2HG PRO 72 8.592 27.907 -25.616 534 HG3 PRO 72 3HG PRO 72 9.052 27.611 -23.929 535 HD2 PRO 72 2HD PRO 72 8.510 25.605 -25.666 536 HD3 PRO 72 3HD PRO 72 8.161 25.485 -23.929 537 H THR 73 H THR 73 4.061 29.051 -25.229 538 HA THR 73 HA THR 73 4.552 29.291 -28.126 539 HB THR 73 HB THR 73 1.888 29.871 -26.856 540 HG1 THR 73 HG1 THR 73 2.916 27.371 -27.746 541 HG21 THR 73 3HG2 THR 73 1.955 30.709 -29.037 542 HG22 THR 73 1HG2 THR 73 1.198 29.129 -29.229 543 HG23 THR 73 2HG2 THR 73 2.902 29.345 -29.632 Start of MODEL 18 1 H1 GLY 1 H GLY 1 36.307 12.630 2.552 2 HA2 GLY 1 2HA GLY 1 35.717 14.647 1.336 3 HA3 GLY 1 3HA GLY 1 35.201 13.267 0.377 4 HA PRO 2 HA PRO 2 31.598 16.160 1.156 5 HB2 PRO 2 2HB PRO 2 31.010 16.585 -1.461 6 HB3 PRO 2 3HB PRO 2 32.160 17.581 -0.560 7 HG2 PRO 2 2HG PRO 2 32.687 15.313 -2.441 8 HG3 PRO 2 3HG PRO 2 33.520 16.873 -2.308 9 HD2 PRO 2 2HD PRO 2 34.523 14.591 -1.249 10 HD3 PRO 2 3HD PRO 2 34.790 16.184 -0.512 11 H SER 3 H SER 3 29.434 15.599 0.981 12 HA SER 3 HA SER 3 28.876 13.006 -0.305 13 HB2 SER 3 2HB SER 3 27.050 13.630 1.859 14 HB3 SER 3 3HB SER 3 28.043 12.194 1.615 15 HG SER 3 HG SER 3 28.901 13.044 3.397 16 H THR 4 H THR 4 27.178 12.904 -1.650 17 HA THR 4 HA THR 4 25.362 15.225 -1.752 18 HB THR 4 HB THR 4 26.216 13.626 -4.165 19 HG1 THR 4 HG1 THR 4 27.890 14.991 -3.002 20 HG21 THR 4 3HG2 THR 4 25.322 16.372 -4.529 21 HG22 THR 4 1HG2 THR 4 24.092 15.353 -3.786 22 HG23 THR 4 2HG2 THR 4 24.795 14.897 -5.338 23 H SER 5 H SER 5 23.446 14.557 -1.031 24 HA SER 5 HA SER 5 22.567 11.820 -1.534 25 HB2 SER 5 2HB SER 5 22.368 12.854 0.748 26 HB3 SER 5 3HB SER 5 21.175 13.969 0.080 27 HG SER 5 HG SER 5 20.997 11.185 0.455 28 H MET 6 H MET 6 20.643 11.297 -2.586 29 HA MET 6 HA MET 6 19.304 13.466 -4.042 30 HB2 MET 6 2HB MET 6 20.827 12.565 -5.651 31 HB3 MET 6 3HB MET 6 20.404 10.914 -5.218 32 HG2 MET 6 2HG MET 6 18.386 10.995 -6.334 33 HG3 MET 6 3HG MET 6 18.315 12.754 -6.286 34 HE1 MET 6 3HE MET 6 18.654 10.012 -8.964 35 HE2 MET 6 1HE MET 6 20.389 10.048 -9.280 36 HE3 MET 6 2HE MET 6 19.794 9.633 -7.673 37 H GLU 7 H GLU 7 17.132 13.089 -4.566 38 HA GLU 7 HA GLU 7 15.926 10.617 -3.561 39 HB2 GLU 7 2HB GLU 7 15.574 13.314 -2.448 40 HB3 GLU 7 3HB GLU 7 14.068 12.475 -2.794 41 HG2 GLU 7 2HG GLU 7 15.106 10.512 -1.503 42 HG3 GLU 7 3HG GLU 7 16.253 11.708 -0.901 43 H ASN 8 H ASN 8 16.410 12.343 -6.145 44 HA ASN 8 HA ASN 8 13.763 11.760 -7.266 45 HB2 ASN 8 2HB ASN 8 15.190 14.214 -8.204 46 HB3 ASN 8 3HB ASN 8 13.468 13.849 -8.213 47 HD21 ASN 8 1HD2 ASN 8 12.701 13.389 -5.807 48 HD22 ASN 8 2HD2 ASN 8 13.106 14.655 -4.704 49 H LEU 9 H LEU 9 14.710 9.900 -8.188 50 HA LEU 9 HA LEU 9 16.902 10.255 -10.069 51 HB2 LEU 9 2HB LEU 9 16.781 7.817 -10.324 52 HB3 LEU 9 3HB LEU 9 16.977 8.315 -8.645 53 HG LEU 9 HG LEU 9 14.189 7.901 -9.422 54 HD11 LEU 9 1HD1 LEU 9 15.000 6.169 -10.820 55 HD12 LEU 9 2HD1 LEU 9 14.438 5.401 -9.335 56 HD13 LEU 9 3HD1 LEU 9 16.164 5.640 -9.606 57 HD21 LEU 9 3HD2 LEU 9 15.871 6.687 -7.234 58 HD22 LEU 9 1HD2 LEU 9 14.110 6.761 -7.311 59 HD23 LEU 9 2HD2 LEU 9 15.047 8.243 -7.115 60 H VAL 10 H VAL 10 13.925 11.141 -10.343 61 HA VAL 10 HA VAL 10 12.636 9.792 -12.365 62 HB VAL 10 HB VAL 10 11.644 11.705 -11.204 63 HG11 VAL 10 1HG1 VAL 10 12.816 13.785 -12.855 64 HG12 VAL 10 2HG1 VAL 10 12.573 13.730 -11.107 65 HG13 VAL 10 3HG1 VAL 10 14.009 12.996 -11.823 66 HG21 VAL 10 3HG2 VAL 10 11.728 12.368 -14.132 67 HG22 VAL 10 1HG2 VAL 10 10.914 10.928 -13.521 68 HG23 VAL 10 2HG2 VAL 10 10.381 12.528 -13.006 69 H SER 11 H SER 11 15.429 11.879 -12.570 70 HA SER 11 HA SER 11 15.436 12.467 -15.290 71 HB2 SER 11 2HB SER 11 17.892 11.895 -13.620 72 HB3 SER 11 3HB SER 11 17.791 12.915 -15.055 73 HG SER 11 HG SER 11 16.371 14.282 -13.839 74 H LEU 12 H LEU 12 16.636 9.617 -13.578 75 HA LEU 12 HA LEU 12 17.198 8.344 -16.168 76 HB2 LEU 12 2HB LEU 12 18.933 8.551 -14.233 77 HB3 LEU 12 3HB LEU 12 18.039 7.202 -13.537 78 HG LEU 12 HG LEU 12 18.542 6.356 -16.112 79 HD11 LEU 12 1HD1 LEU 12 21.117 7.524 -15.110 80 HD12 LEU 12 2HD1 LEU 12 20.077 8.395 -16.237 81 HD13 LEU 12 3HD1 LEU 12 20.754 6.832 -16.692 82 HD21 LEU 12 3HD2 LEU 12 18.713 4.880 -14.288 83 HD22 LEU 12 1HD2 LEU 12 19.936 5.872 -13.494 84 HD23 LEU 12 2HD2 LEU 12 20.342 4.980 -14.959 85 H GLN 13 H GLN 13 14.556 8.667 -14.795 86 HA GLN 13 HA GLN 13 13.670 6.276 -13.669 87 HB2 GLN 13 2HB GLN 13 12.494 8.600 -13.958 88 HB3 GLN 13 3HB GLN 13 11.874 7.889 -15.443 89 HG2 GLN 13 2HG GLN 13 10.720 6.201 -14.275 90 HG3 GLN 13 3HG GLN 13 11.572 6.555 -12.773 91 HE21 GLN 13 1HE2 GLN 13 9.805 6.979 -11.538 92 HE22 GLN 13 2HE2 GLN 13 8.758 8.329 -11.793 93 H ASN 14 H ASN 14 14.424 7.060 -16.939 94 HA ASN 14 HA ASN 14 14.322 4.397 -17.811 95 HB2 ASN 14 2HB ASN 14 12.405 4.841 -19.528 96 HB3 ASN 14 3HB ASN 14 11.999 4.354 -17.885 97 HD21 ASN 14 1HD2 ASN 14 10.085 5.315 -17.600 98 HD22 ASN 14 2HD2 ASN 14 9.808 7.016 -17.716 99 H LEU 15 H LEU 15 16.215 6.348 -18.001 100 HA LEU 15 HA LEU 15 16.575 6.508 -20.868 101 HB2 LEU 15 2HB LEU 15 15.553 8.719 -19.478 102 HB3 LEU 15 3HB LEU 15 17.251 9.083 -19.780 103 HG LEU 15 HG LEU 15 15.988 10.025 -21.558 104 HD11 LEU 15 1HD1 LEU 15 17.265 9.277 -23.259 105 HD12 LEU 15 2HD1 LEU 15 16.846 7.588 -22.979 106 HD13 LEU 15 3HD1 LEU 15 18.063 8.372 -21.973 107 HD21 LEU 15 3HD2 LEU 15 14.259 9.023 -22.697 108 HD22 LEU 15 1HD2 LEU 15 14.049 8.336 -21.087 109 HD23 LEU 15 2HD2 LEU 15 14.834 7.391 -22.353 110 H LEU 16 H LEU 16 18.572 5.826 -21.222 111 HA LEU 16 HA LEU 16 20.668 6.525 -19.272 112 HB2 LEU 16 2HB LEU 16 19.790 4.038 -19.579 113 HB3 LEU 16 3HB LEU 16 20.929 4.071 -20.924 114 HG LEU 16 HG LEU 16 22.049 3.106 -19.064 115 HD11 LEU 16 1HD1 LEU 16 22.903 5.987 -19.315 116 HD12 LEU 16 2HD1 LEU 16 23.371 4.673 -20.394 117 HD13 LEU 16 3HD1 LEU 16 23.891 4.657 -18.709 118 HD21 LEU 16 3HD2 LEU 16 21.341 3.557 -17.008 119 HD22 LEU 16 1HD2 LEU 16 20.482 4.994 -17.562 120 HD23 LEU 16 2HD2 LEU 16 22.183 5.103 -17.110 121 H VAL 17 H VAL 17 20.410 8.329 -21.130 122 HA VAL 17 HA VAL 17 22.098 7.657 -23.420 123 HB VAL 17 HB VAL 17 21.531 9.954 -24.212 124 HG11 VAL 17 1HG1 VAL 17 19.405 7.926 -23.633 125 HG12 VAL 17 2HG1 VAL 17 19.023 9.417 -24.498 126 HG13 VAL 17 3HG1 VAL 17 20.211 8.293 -25.158 127 HG21 VAL 17 3HG2 VAL 17 19.919 11.292 -23.102 128 HG22 VAL 17 1HG2 VAL 17 19.550 10.010 -21.948 129 HG23 VAL 17 2HG2 VAL 17 21.109 10.833 -21.884 130 H TYR 18 H TYR 18 23.715 9.383 -24.072 131 HA TYR 18 HA TYR 18 25.409 9.930 -21.766 132 HB2 TYR 18 2HB TYR 18 27.185 10.288 -23.354 133 HB3 TYR 18 3HB TYR 18 26.325 8.822 -23.811 134 HD1 TYR 18 HD1 TYR 18 26.896 12.360 -24.676 135 HD2 TYR 18 HD2 TYR 18 25.150 8.674 -25.890 136 HE1 TYR 18 HE1 TYR 18 26.564 13.269 -26.937 137 HE2 TYR 18 HE2 TYR 18 24.815 9.572 -28.154 138 HH TYR 18 HH TYR 18 26.296 12.385 -29.256 139 H VAL 19 H VAL 19 23.537 11.610 -24.183 140 HA VAL 19 HA VAL 19 24.614 14.176 -23.965 141 HB VAL 19 HB VAL 19 22.910 13.425 -25.653 142 HG11 VAL 19 1HG1 VAL 19 21.408 12.458 -23.817 143 HG12 VAL 19 2HG1 VAL 19 20.842 14.113 -23.592 144 HG13 VAL 19 3HG1 VAL 19 20.631 13.311 -25.149 145 HG21 VAL 19 3HG2 VAL 19 23.108 15.979 -24.293 146 HG22 VAL 19 1HG2 VAL 19 23.004 15.622 -26.017 147 HG23 VAL 19 2HG2 VAL 19 21.533 15.751 -25.054 148 H ASN 20 H ASN 20 22.715 12.360 -21.747 149 HA ASN 20 HA ASN 20 21.966 12.793 -19.643 150 HB2 ASN 20 2HB ASN 20 24.323 14.097 -19.770 151 HB3 ASN 20 3HB ASN 20 23.248 15.462 -19.478 152 HD21 ASN 20 1HD2 ASN 20 24.867 12.812 -18.124 153 HD22 ASN 20 2HD2 ASN 20 24.232 12.934 -16.522 154 H TRP 21 H TRP 21 20.335 13.521 -21.807 155 HA TRP 21 HA TRP 21 18.456 15.193 -20.504 156 HB2 TRP 21 2HB TRP 21 19.779 17.053 -21.163 157 HB3 TRP 21 3HB TRP 21 20.044 16.388 -22.773 158 HD1 TRP 21 HD1 TRP 21 16.710 17.034 -20.882 159 HE1 TRP 21 HE1 TRP 21 15.213 18.478 -22.399 160 HE3 TRP 21 HE3 TRP 21 19.936 17.722 -24.788 161 HZ2 TRP 21 HZ2 TRP 21 15.379 19.740 -24.919 162 HZ3 TRP 21 HZ3 TRP 21 19.189 19.059 -26.714 163 HH2 TRP 21 HH2 TRP 21 16.957 20.047 -26.775 164 H SER 22 H SER 22 19.154 15.012 -23.978 165 HA SER 22 HA SER 22 17.816 14.349 -25.713 166 HB2 SER 22 2HB SER 22 18.803 12.192 -24.498 167 HB3 SER 22 3HB SER 22 17.092 11.881 -24.204 168 HG SER 22 HG SER 22 18.081 11.053 -26.237 169 H SER 23 H SER 23 16.451 16.019 -23.906 170 HA SER 23 HA SER 23 14.342 16.786 -23.519 171 HB2 SER 23 2HB SER 23 13.277 14.471 -25.132 172 HB3 SER 23 3HB SER 23 12.556 16.063 -24.901 173 HG SER 23 HG SER 23 15.088 15.911 -26.078 174 H TYR 24 H TYR 24 13.323 16.614 -21.641 175 HA TYR 24 HA TYR 24 13.566 14.509 -19.886 176 HB2 TYR 24 2HB TYR 24 11.677 16.809 -20.100 177 HB3 TYR 24 3HB TYR 24 11.318 15.545 -18.927 178 HD1 TYR 24 HD2 TYR 24 14.737 16.575 -19.847 179 HD2 TYR 24 HD1 TYR 24 11.619 16.882 -16.969 180 HE1 TYR 24 HE2 TYR 24 16.309 17.605 -18.260 181 HE2 TYR 24 HE1 TYR 24 13.182 17.913 -15.374 182 HH TYR 24 HH TYR 24 16.420 18.840 -16.317 183 HA PRO 25 HA PRO 25 10.786 11.350 -21.140 184 HB2 PRO 25 2HB PRO 25 10.057 10.325 -18.735 185 HB3 PRO 25 3HB PRO 25 11.660 10.079 -19.437 186 HG2 PRO 25 2HG PRO 25 10.786 12.041 -17.351 187 HG3 PRO 25 3HG PRO 25 12.251 11.043 -17.404 188 HD2 PRO 25 2HD PRO 25 12.247 13.663 -18.088 189 HD3 PRO 25 3HD PRO 25 13.327 12.478 -18.850 190 H LYS 26 H LYS 26 8.557 10.606 -20.998 191 HA LYS 26 HA LYS 26 6.739 12.805 -20.295 192 HB2 LYS 26 2HB LYS 26 5.787 12.429 -22.276 193 HB3 LYS 26 3HB LYS 26 6.965 11.162 -22.590 194 HG2 LYS 26 2HG LYS 26 5.475 9.558 -21.427 195 HG3 LYS 26 3HG LYS 26 4.274 10.843 -21.281 196 HD2 LYS 26 2HD LYS 26 3.631 9.648 -23.193 197 HD3 LYS 26 3HD LYS 26 4.469 11.070 -23.821 198 HE2 LYS 26 2HE LYS 26 6.055 9.824 -24.779 199 HE3 LYS 26 3HE LYS 26 6.278 8.854 -23.324 200 HZ1 LYS 26 3HZ LYS 26 5.541 7.408 -25.023 201 HZ2 LYS 26 1HZ LYS 26 4.282 8.444 -25.476 202 HZ3 LYS 26 2HZ LYS 26 4.218 7.634 -23.993 203 H TYR 27 H TYR 27 4.653 12.274 -19.369 204 HA TYR 27 HA TYR 27 4.762 10.789 -17.063 205 HB2 TYR 27 2HB TYR 27 2.977 12.291 -17.199 206 HB3 TYR 27 3HB TYR 27 2.465 11.692 -18.772 207 HD1 TYR 27 HD1 TYR 27 3.071 10.039 -15.470 208 HD2 TYR 27 HD2 TYR 27 0.342 10.805 -18.643 209 HE1 TYR 27 HE1 TYR 27 1.403 8.603 -14.374 210 HE2 TYR 27 HE2 TYR 27 -1.335 9.372 -17.554 211 HH TYR 27 HH TYR 27 -0.558 7.377 -14.835 212 H GLU 28 H GLU 28 5.086 8.695 -16.764 213 HA GLU 28 HA GLU 28 4.133 6.800 -18.796 214 HB2 GLU 28 2HB GLU 28 6.608 6.991 -17.820 215 HB3 GLU 28 3HB GLU 28 5.931 5.933 -16.589 216 HG2 GLU 28 2HG GLU 28 5.073 4.717 -18.856 217 HG3 GLU 28 3HG GLU 28 6.617 5.385 -19.383 218 HA PRO 29 HA PRO 29 0.975 5.982 -15.666 219 HB2 PRO 29 2HB PRO 29 -0.664 4.644 -17.366 220 HB3 PRO 29 3HB PRO 29 -0.598 6.409 -17.285 221 HG2 PRO 29 2HG PRO 29 0.712 4.551 -19.233 222 HG3 PRO 29 3HG PRO 29 -0.118 6.087 -19.538 223 HD2 PRO 29 2HD PRO 29 2.580 5.885 -19.436 224 HD3 PRO 29 3HD PRO 29 1.712 7.345 -18.917 225 H GLY 30 H GLY 30 1.099 4.337 -14.278 226 HA2 GLY 30 2HA GLY 30 0.790 1.972 -13.849 227 HA3 GLY 30 3HA GLY 30 1.663 1.643 -15.338 228 H LYS 31 H LYS 31 2.849 4.120 -13.244 229 HA LYS 31 HA LYS 31 4.698 2.340 -11.884 230 HB2 LYS 31 2HB LYS 31 6.120 2.607 -13.673 231 HB3 LYS 31 3HB LYS 31 5.483 4.194 -14.084 232 HG2 LYS 31 2HG LYS 31 6.739 5.250 -12.397 233 HG3 LYS 31 3HG LYS 31 7.128 3.714 -11.618 234 HD2 LYS 31 2HD LYS 31 8.036 3.522 -14.278 235 HD3 LYS 31 3HD LYS 31 8.544 5.105 -13.685 236 HE2 LYS 31 2HE LYS 31 9.966 4.225 -12.158 237 HE3 LYS 31 3HE LYS 31 8.934 2.830 -11.843 238 HZ1 LYS 31 3HZ LYS 31 11.113 2.375 -12.991 239 HZ2 LYS 31 1HZ LYS 31 10.466 3.132 -14.359 240 HZ3 LYS 31 2HZ LYS 31 9.738 1.736 -13.741 241 H GLU 32 H GLU 32 4.922 3.017 -9.859 242 HA GLU 32 HA GLU 32 3.697 5.209 -8.754 243 HB2 GLU 32 2HB GLU 32 5.407 4.950 -6.876 244 HB3 GLU 32 3HB GLU 32 4.434 3.539 -7.270 245 HG2 GLU 32 2HG GLU 32 6.842 3.552 -8.832 246 HG3 GLU 32 3HG GLU 32 7.218 3.708 -7.116 247 H TYR 33 H TYR 33 4.739 7.101 -7.660 248 HA TYR 33 HA TYR 33 7.070 8.159 -9.067 249 HB2 TYR 33 2HB TYR 33 4.343 9.440 -9.027 250 HB3 TYR 33 3HB TYR 33 5.809 10.374 -9.305 251 HD1 TYR 33 HD1 TYR 33 7.287 9.710 -11.277 252 HD2 TYR 33 HD2 TYR 33 3.306 8.293 -10.787 253 HE1 TYR 33 HE1 TYR 33 7.205 9.135 -13.666 254 HE2 TYR 33 HE2 TYR 33 3.213 7.712 -13.176 255 HH TYR 33 HH TYR 33 4.238 7.988 -15.178 256 H ASN 34 H ASN 34 8.449 8.788 -7.558 257 HA ASN 34 HA ASN 34 7.587 9.343 -4.869 258 HB2 ASN 34 2HB ASN 34 10.033 9.724 -4.463 259 HB3 ASN 34 3HB ASN 34 9.654 8.145 -5.144 260 HD21 ASN 34 1HD2 ASN 34 11.151 11.212 -5.677 261 HD22 ASN 34 2HD2 ASN 34 11.935 10.807 -7.163 262 H GLN 35 H GLN 35 8.471 11.306 -3.718 263 HA GLN 35 HA GLN 35 7.419 13.638 -4.900 264 HB2 GLN 35 2HB GLN 35 8.032 14.760 -2.920 265 HB3 GLN 35 3HB GLN 35 7.671 13.113 -2.418 266 HG2 GLN 35 2HG GLN 35 10.055 12.597 -2.376 267 HG3 GLN 35 3HG GLN 35 10.420 14.245 -2.887 268 HE21 GLN 35 1HE2 GLN 35 8.811 12.396 -0.341 269 HE22 GLN 35 2HE2 GLN 35 9.165 13.506 0.935 270 H GLY 36 H GLY 36 8.333 15.291 -6.002 271 HA2 GLY 36 2HA GLY 36 10.131 16.673 -6.695 272 HA3 GLY 36 3HA GLY 36 11.253 15.403 -6.228 273 H ASP 37 H ASP 37 9.399 13.452 -7.670 274 HA ASP 37 HA ASP 37 10.840 13.286 -10.063 275 HB2 ASP 37 2HB ASP 37 9.706 11.355 -9.082 276 HB3 ASP 37 3HB ASP 37 8.140 12.104 -9.378 277 H ILE 38 H ILE 38 10.611 14.192 -12.012 278 HA ILE 38 HA ILE 38 8.165 15.759 -12.522 279 HB ILE 38 HB ILE 38 10.979 16.399 -13.414 280 HG12 ILE 38 2HG1 ILE 38 9.799 18.522 -11.969 281 HG13 ILE 38 3HG1 ILE 38 9.489 17.058 -11.043 282 HG21 ILE 38 1HG2 ILE 38 9.536 18.615 -13.953 283 HG22 ILE 38 2HG2 ILE 38 9.879 17.349 -15.133 284 HG23 ILE 38 3HG2 ILE 38 8.337 17.364 -14.276 285 HD11 ILE 38 3HD1 ILE 38 12.192 17.973 -11.994 286 HD12 ILE 38 1HD1 ILE 38 11.555 18.175 -10.363 287 HD13 ILE 38 2HD1 ILE 38 11.855 16.557 -10.999 288 H VAL 39 H VAL 39 7.110 15.395 -14.383 289 HA VAL 39 HA VAL 39 8.467 13.887 -16.507 290 HB VAL 39 HB VAL 39 6.657 12.381 -16.808 291 HG11 VAL 39 1HG1 VAL 39 8.174 11.694 -15.069 292 HG12 VAL 39 2HG1 VAL 39 7.288 12.641 -13.871 293 HG13 VAL 39 3HG1 VAL 39 6.533 11.232 -14.615 294 HG21 VAL 39 3HG2 VAL 39 4.697 13.566 -16.519 295 HG22 VAL 39 1HG2 VAL 39 4.706 12.537 -15.086 296 HG23 VAL 39 2HG2 VAL 39 5.201 14.225 -14.963 297 H GLU 40 H GLU 40 7.314 13.986 -18.592 298 HA GLU 40 HA GLU 40 6.077 16.624 -18.928 299 HB2 GLU 40 2HB GLU 40 8.090 16.193 -20.256 300 HB3 GLU 40 3HB GLU 40 7.329 14.777 -20.968 301 HG2 GLU 40 2HG GLU 40 5.983 17.417 -21.231 302 HG3 GLU 40 3HG GLU 40 7.390 17.067 -22.235 303 H TYR 41 H TYR 41 3.989 16.813 -19.396 304 HA TYR 41 HA TYR 41 2.595 14.595 -20.704 305 HB2 TYR 41 2HB TYR 41 2.133 14.195 -18.385 306 HB3 TYR 41 3HB TYR 41 1.765 15.893 -18.105 307 HD1 TYR 41 HD1 TYR 41 -0.332 16.866 -19.020 308 HD2 TYR 41 HD2 TYR 41 0.486 12.696 -19.229 309 HE1 TYR 41 HE1 TYR 41 -2.711 16.428 -19.466 310 HE2 TYR 41 HE2 TYR 41 -1.890 12.246 -19.678 311 HH TYR 41 HH TYR 41 -3.852 13.424 -20.563 312 H ASN 42 H ASN 42 1.342 15.279 -22.311 313 HA ASN 42 HA ASN 42 0.279 16.666 -23.768 314 HB2 ASN 42 2HB ASN 42 -1.286 16.710 -21.776 315 HB3 ASN 42 3HB ASN 42 -0.540 18.240 -21.323 316 HD21 ASN 42 1HD2 ASN 42 -2.768 19.000 -21.545 317 HD22 ASN 42 2HD2 ASN 42 -3.321 19.490 -23.107 318 H GLY 43 H GLY 43 3.039 17.262 -23.117 319 HA2 GLY 43 2HA GLY 43 4.550 18.856 -23.829 320 HA3 GLY 43 3HA GLY 43 3.192 19.856 -24.324 321 H LYS 44 H LYS 44 3.271 18.690 -21.076 322 HA LYS 44 HA LYS 44 4.088 21.368 -20.155 323 HB2 LYS 44 2HB LYS 44 2.017 19.500 -18.993 324 HB3 LYS 44 3HB LYS 44 2.589 20.956 -18.188 325 HG2 LYS 44 2HG LYS 44 1.838 21.784 -20.743 326 HG3 LYS 44 3HG LYS 44 0.583 20.655 -20.226 327 HD2 LYS 44 2HD LYS 44 0.953 22.130 -17.967 328 HD3 LYS 44 3HD LYS 44 1.245 23.334 -19.224 329 HE2 LYS 44 2HE LYS 44 -0.899 22.937 -20.198 330 HE3 LYS 44 3HE LYS 44 -1.173 21.538 -19.162 331 HZ1 LYS 44 3HZ LYS 44 -2.202 22.938 -17.799 332 HZ2 LYS 44 1HZ LYS 44 -1.647 24.302 -18.631 333 HZ3 LYS 44 2HZ LYS 44 -0.689 23.597 -17.429 334 H LEU 45 H LEU 45 4.487 21.107 -17.581 335 HA LEU 45 HA LEU 45 6.133 18.735 -17.102 336 HB2 LEU 45 2HB LEU 45 7.065 21.547 -17.265 337 HB3 LEU 45 3HB LEU 45 7.754 20.532 -16.000 338 HG LEU 45 HG LEU 45 7.864 19.990 -18.966 339 HD11 LEU 45 1HD1 LEU 45 10.356 20.311 -17.497 340 HD12 LEU 45 2HD1 LEU 45 9.362 21.768 -17.505 341 HD13 LEU 45 3HD1 LEU 45 9.841 21.019 -19.028 342 HD21 LEU 45 3HD2 LEU 45 9.497 18.216 -18.219 343 HD22 LEU 45 1HD2 LEU 45 7.799 17.895 -17.867 344 HD23 LEU 45 2HD2 LEU 45 8.876 18.453 -16.585 345 H TYR 46 H TYR 46 5.312 17.877 -15.317 346 HA TYR 46 HA TYR 46 4.534 19.684 -13.122 347 HB2 TYR 46 2HB TYR 46 3.399 16.954 -13.764 348 HB3 TYR 46 3HB TYR 46 2.905 17.989 -12.430 349 HD1 TYR 46 HD1 TYR 46 1.658 20.076 -12.877 350 HD2 TYR 46 HD2 TYR 46 2.613 17.340 -15.993 351 HE1 TYR 46 HE1 TYR 46 -0.018 21.146 -14.323 352 HE2 TYR 46 HE2 TYR 46 0.940 18.404 -17.448 353 HH TYR 46 HH TYR 46 -1.062 21.096 -16.282 354 H LYS 47 H LYS 47 4.861 18.885 -10.957 355 HA LYS 47 HA LYS 47 6.898 16.775 -10.739 356 HB2 LYS 47 2HB LYS 47 8.142 18.802 -10.571 357 HB3 LYS 47 3HB LYS 47 6.950 19.523 -9.498 358 HG2 LYS 47 2HG LYS 47 7.710 18.395 -7.666 359 HG3 LYS 47 3HG LYS 47 8.314 17.036 -8.615 360 HD2 LYS 47 2HD LYS 47 10.341 17.930 -8.303 361 HD3 LYS 47 3HD LYS 47 9.855 19.132 -9.502 362 HE2 LYS 47 2HE LYS 47 8.944 20.514 -7.631 363 HE3 LYS 47 3HE LYS 47 9.645 19.355 -6.503 364 HZ1 LYS 47 3HZ LYS 47 11.718 19.971 -8.137 365 HZ2 LYS 47 1HZ LYS 47 11.446 20.637 -6.606 366 HZ3 LYS 47 2HZ LYS 47 10.918 21.454 -7.989 367 H ALA 48 H ALA 48 6.231 15.218 -9.429 368 HA ALA 48 HA ALA 48 3.892 15.345 -7.888 369 HB1 ALA 48 1HB ALA 48 4.191 13.145 -7.686 370 HB2 ALA 48 2HB ALA 48 5.614 13.354 -8.709 371 HB3 ALA 48 3HB ALA 48 5.783 13.346 -6.953 372 H LYS 49 H LYS 49 3.559 16.470 -6.096 373 HA LYS 49 HA LYS 49 5.557 17.682 -4.554 374 HB2 LYS 49 2HB LYS 49 2.801 16.988 -3.547 375 HB3 LYS 49 3HB LYS 49 3.822 18.332 -3.054 376 HG2 LYS 49 2HG LYS 49 3.613 19.070 -5.531 377 HG3 LYS 49 3HG LYS 49 2.213 17.996 -5.546 378 HD2 LYS 49 2HD LYS 49 0.981 19.378 -4.257 379 HD3 LYS 49 3HD LYS 49 2.358 19.831 -3.251 380 HE2 LYS 49 2HE LYS 49 3.167 21.209 -5.211 381 HE3 LYS 49 3HE LYS 49 1.594 20.919 -5.951 382 HZ1 LYS 49 3HZ LYS 49 0.723 22.529 -4.730 383 HZ2 LYS 49 1HZ LYS 49 2.259 22.890 -4.121 384 HZ3 LYS 49 2HZ LYS 49 1.254 21.810 -3.295 385 H TYR 50 H TYR 50 3.673 14.730 -3.965 386 HA TYR 50 HA TYR 50 5.819 13.761 -2.238 387 HB2 TYR 50 2HB TYR 50 4.423 13.249 -0.398 388 HB3 TYR 50 3HB TYR 50 4.022 14.906 -0.838 389 HD1 TYR 50 HD2 TYR 50 2.081 14.939 -2.780 390 HD2 TYR 50 HD1 TYR 50 2.624 11.950 0.199 391 HE1 TYR 50 HE2 TYR 50 -0.290 14.318 -2.980 392 HE2 TYR 50 HE1 TYR 50 0.254 11.319 0.006 393 HH TYR 50 HH TYR 50 -1.812 12.679 -2.478 394 H TRP 51 H TRP 51 5.303 11.414 -1.562 395 HA TRP 51 HA TRP 51 5.215 9.802 -3.793 396 HB2 TRP 51 2HB TRP 51 5.695 9.360 -1.171 397 HB3 TRP 51 3HB TRP 51 4.110 8.606 -1.319 398 HD1 TRP 51 HD1 TRP 51 7.601 8.395 -2.992 399 HE1 TRP 51 HE1 TRP 51 7.953 5.973 -3.789 400 HE3 TRP 51 HE3 TRP 51 3.023 6.471 -1.780 401 HZ2 TRP 51 HZ2 TRP 51 6.482 3.565 -3.891 402 HZ3 TRP 51 HZ3 TRP 51 2.576 4.099 -2.260 403 HH2 TRP 51 HH2 TRP 51 4.271 2.678 -3.294 404 H THR 52 H THR 52 3.643 9.560 -5.228 405 HA THR 52 HA THR 52 1.015 8.734 -4.413 406 HB THR 52 HB THR 52 1.161 11.288 -6.012 407 HG1 THR 52 HG1 THR 52 0.710 10.937 -3.218 408 HG21 THR 52 3HG2 THR 52 -1.276 11.190 -4.803 409 HG22 THR 52 1HG2 THR 52 -0.963 9.479 -5.090 410 HG23 THR 52 2HG2 THR 52 -0.948 10.616 -6.438 411 H THR 53 H THR 53 -0.289 8.004 -6.183 412 HA THR 53 HA THR 53 1.170 7.707 -8.724 413 HB THR 53 HB THR 53 0.430 5.419 -8.946 414 HG1 THR 53 HG1 THR 53 -1.047 6.046 -6.632 415 HG21 THR 53 3HG2 THR 53 2.341 6.268 -7.163 416 HG22 THR 53 1HG2 THR 53 2.113 4.606 -7.704 417 HG23 THR 53 2HG2 THR 53 1.378 5.151 -6.196 418 H SER 54 H SER 54 0.038 8.877 -10.139 419 HA SER 54 HA SER 54 -2.485 8.137 -11.046 420 HB2 SER 54 2HB SER 54 -2.619 9.734 -8.687 421 HB3 SER 54 3HB SER 54 -3.198 10.709 -10.038 422 HG SER 54 HG SER 54 -4.952 9.600 -9.370 423 HA PRO 55 HA PRO 55 -1.152 10.683 -14.366 424 HB2 PRO 55 2HB PRO 55 -3.516 11.138 -15.623 425 HB3 PRO 55 3HB PRO 55 -2.692 9.573 -15.661 426 HG2 PRO 55 2HG PRO 55 -4.976 10.471 -13.945 427 HG3 PRO 55 3HG PRO 55 -4.749 8.927 -14.790 428 HD2 PRO 55 2HD PRO 55 -4.270 9.224 -12.141 429 HD3 PRO 55 3HD PRO 55 -3.349 8.097 -13.159 430 HA PRO 56 HA PRO 56 -1.656 14.903 -13.190 431 HB2 PRO 56 2HB PRO 56 -0.907 16.102 -15.507 432 HB3 PRO 56 3HB PRO 56 0.242 15.320 -14.415 433 HG2 PRO 56 2HG PRO 56 -0.995 14.271 -16.932 434 HG3 PRO 56 3HG PRO 56 0.684 14.150 -16.375 435 HD2 PRO 56 2HD PRO 56 -1.081 12.111 -16.134 436 HD3 PRO 56 3HD PRO 56 0.221 12.390 -14.960 437 H SER 57 H SER 57 -3.354 16.237 -13.079 438 HA SER 57 HA SER 57 -4.867 17.210 -15.193 439 HB2 SER 57 2HB SER 57 -5.670 14.541 -14.313 440 HB3 SER 57 3HB SER 57 -6.986 15.712 -14.223 441 HG SER 57 HG SER 57 -6.858 16.047 -16.368 442 H ASP 58 H ASP 58 -6.152 15.824 -12.188 443 HA ASP 58 HA ASP 58 -6.339 18.530 -11.063 444 HB2 ASP 58 2HB ASP 58 -8.574 16.523 -11.339 445 HB3 ASP 58 3HB ASP 58 -8.632 17.840 -10.171 446 H ASP 59 H ASP 59 -4.953 18.356 -9.405 447 HA ASP 59 HA ASP 59 -5.276 16.063 -7.581 448 HB2 ASP 59 2HB ASP 59 -2.803 17.766 -7.942 449 HB3 ASP 59 3HB ASP 59 -2.950 16.312 -6.958 450 HA PRO 60 HA PRO 60 -6.715 19.744 -5.228 451 HB2 PRO 60 2HB PRO 60 -8.619 18.382 -3.854 452 HB3 PRO 60 3HB PRO 60 -8.893 19.052 -5.466 453 HG2 PRO 60 2HG PRO 60 -8.225 16.245 -4.670 454 HG3 PRO 60 3HG PRO 60 -9.404 16.818 -5.863 455 HD2 PRO 60 2HD PRO 60 -6.964 15.877 -6.563 456 HD3 PRO 60 3HD PRO 60 -7.796 17.150 -7.480 457 H TYR 61 H TYR 61 -5.252 16.775 -4.494 458 HA TYR 61 HA TYR 61 -5.026 17.423 -1.640 459 HB2 TYR 61 2HB TYR 61 -3.837 15.034 -1.781 460 HB3 TYR 61 3HB TYR 61 -5.583 15.208 -1.634 461 HD1 TYR 61 HD1 TYR 61 -7.032 14.865 -3.599 462 HD2 TYR 61 HD2 TYR 61 -2.836 14.182 -3.787 463 HE1 TYR 61 HE1 TYR 61 -7.339 13.590 -5.681 464 HE2 TYR 61 HE2 TYR 61 -3.131 12.906 -5.869 465 HH TYR 61 HH TYR 61 -5.058 11.575 -6.953 466 H GLY 62 H GLY 62 -3.525 18.500 -4.143 467 HA2 GLY 62 2HA GLY 62 -1.417 19.300 -4.570 468 HA3 GLY 62 3HA GLY 62 -1.097 19.067 -2.857 469 H SER 63 H SER 63 -1.747 16.806 -5.533 470 HA SER 63 HA SER 63 0.463 15.146 -4.618 471 HB2 SER 63 2HB SER 63 -1.100 13.611 -5.174 472 HB3 SER 63 3HB SER 63 -1.971 14.741 -6.210 473 HG SER 63 HG SER 63 -1.166 13.352 -7.641 474 H TRP 64 H TRP 64 -0.273 17.412 -7.106 475 HA TRP 64 HA TRP 64 2.369 16.921 -8.297 476 HB2 TRP 64 2HB TRP 64 -0.271 17.201 -9.702 477 HB3 TRP 64 3HB TRP 64 1.219 17.687 -10.505 478 HD1 TRP 64 HD1 TRP 64 -0.855 14.677 -9.708 479 HE1 TRP 64 HE1 TRP 64 0.313 12.554 -10.580 480 HE3 TRP 64 HE3 TRP 64 3.719 16.668 -10.825 481 HZ2 TRP 64 HZ2 TRP 64 2.839 11.822 -11.603 482 HZ3 TRP 64 HZ3 TRP 64 5.456 15.189 -11.746 483 HH2 TRP 64 HH2 TRP 64 5.023 12.817 -12.125 484 H GLU 65 H GLU 65 3.289 18.787 -9.386 485 HA GLU 65 HA GLU 65 2.084 21.363 -8.702 486 HB2 GLU 65 2HB GLU 65 3.822 20.487 -6.955 487 HB3 GLU 65 3HB GLU 65 5.004 20.958 -8.168 488 HG2 GLU 65 2HG GLU 65 3.962 23.240 -8.155 489 HG3 GLU 65 3HG GLU 65 3.019 22.718 -6.760 490 H TYR 66 H TYR 66 2.002 22.514 -10.504 491 HA TYR 66 HA TYR 66 3.529 21.849 -12.818 492 HB2 TYR 66 2HB TYR 66 1.373 22.710 -13.239 493 HB3 TYR 66 3HB TYR 66 1.614 24.076 -12.156 494 HD1 TYR 66 HD2 TYR 66 2.898 26.023 -12.874 495 HD2 TYR 66 HD1 TYR 66 2.237 22.742 -15.501 496 HE1 TYR 66 HE2 TYR 66 3.594 27.415 -14.778 497 HE2 TYR 66 HE1 TYR 66 2.931 24.125 -17.412 498 HH TYR 66 HH TYR 66 4.478 27.131 -17.040 499 H LEU 67 H LEU 67 5.616 22.305 -13.011 500 HA LEU 67 HA LEU 67 6.672 24.746 -11.770 501 HB2 LEU 67 2HB LEU 67 8.363 22.600 -12.986 502 HB3 LEU 67 3HB LEU 67 8.767 23.744 -11.708 503 HG LEU 67 HG LEU 67 6.990 21.319 -11.459 504 HD11 LEU 67 1HD1 LEU 67 9.823 21.908 -10.824 505 HD12 LEU 67 2HD1 LEU 67 9.063 20.403 -11.339 506 HD13 LEU 67 3HD1 LEU 67 8.912 20.938 -9.666 507 HD21 LEU 67 3HD2 LEU 67 7.634 22.335 -8.937 508 HD22 LEU 67 1HD2 LEU 67 6.054 22.336 -9.721 509 HD23 LEU 67 2HD2 LEU 67 7.124 23.729 -9.892 510 H GLY 68 H GLY 68 5.676 23.551 -14.742 511 HA2 GLY 68 2HA GLY 68 6.055 25.763 -16.250 512 HA3 GLY 68 3HA GLY 68 7.610 24.953 -16.372 513 H GLU 69 H GLU 69 6.945 24.996 -18.699 514 HA GLU 69 HA GLU 69 5.336 22.604 -19.311 515 HB2 GLU 69 2HB GLU 69 5.042 25.325 -20.257 516 HB3 GLU 69 3HB GLU 69 5.313 24.219 -21.596 517 HG2 GLU 69 2HG GLU 69 3.394 22.974 -21.106 518 HG3 GLU 69 3HG GLU 69 3.254 23.666 -19.490 519 H ALA 70 H ALA 70 5.923 21.504 -21.312 520 HA ALA 70 HA ALA 70 8.705 21.052 -21.495 521 HB1 ALA 70 1HB ALA 70 7.243 19.253 -21.999 522 HB2 ALA 70 2HB ALA 70 6.412 20.188 -23.243 523 HB3 ALA 70 3HB ALA 70 8.077 19.665 -23.498 524 H GLU 71 H GLU 71 6.508 23.111 -23.265 525 HA GLU 71 HA GLU 71 8.753 23.976 -24.968 526 HB2 GLU 71 2HB GLU 71 5.948 23.368 -25.588 527 HB3 GLU 71 3HB GLU 71 6.513 24.894 -26.253 528 HG2 GLU 71 2HG GLU 71 8.565 23.252 -26.909 529 HG3 GLU 71 3HG GLU 71 7.198 22.143 -26.991 530 HA PRO 72 HA PRO 72 8.125 27.666 -22.457 531 HB2 PRO 72 2HB PRO 72 10.450 28.842 -23.214 532 HB3 PRO 72 3HB PRO 72 10.370 27.583 -21.976 533 HG2 PRO 72 2HG PRO 72 11.113 27.353 -24.868 534 HG3 PRO 72 3HG PRO 72 11.877 26.605 -23.454 535 HD2 PRO 72 2HD PRO 72 10.170 25.260 -25.069 536 HD3 PRO 72 3HD PRO 72 10.299 24.931 -23.329 537 H THR 73 H THR 73 7.200 29.568 -22.981 538 HA THR 73 HA THR 73 6.665 30.127 -25.757 539 HB THR 73 HB THR 73 5.900 32.132 -23.720 540 HG1 THR 73 HG1 THR 73 5.054 30.703 -22.420 541 HG21 THR 73 3HG2 THR 73 4.084 30.675 -25.603 542 HG22 THR 73 1HG2 THR 73 5.186 31.911 -26.208 543 HG23 THR 73 2HG2 THR 73 3.971 32.328 -25.000 Start of MODEL 19 1 H1 GLY 1 H GLY 1 34.286 5.295 -11.416 2 HA2 GLY 1 2HA GLY 1 31.662 5.073 -11.889 3 HA3 GLY 1 3HA GLY 1 31.990 3.543 -11.089 4 HA PRO 2 HA PRO 2 32.920 7.011 -7.838 5 HB2 PRO 2 2HB PRO 2 32.137 9.523 -8.502 6 HB3 PRO 2 3HB PRO 2 33.749 8.893 -8.860 7 HG2 PRO 2 2HG PRO 2 31.366 9.127 -10.656 8 HG3 PRO 2 3HG PRO 2 33.066 9.497 -11.000 9 HD2 PRO 2 2HD PRO 2 31.885 7.195 -11.800 10 HD3 PRO 2 3HD PRO 2 33.604 7.285 -11.363 11 H SER 3 H SER 3 31.518 8.040 -6.264 12 HA SER 3 HA SER 3 28.805 7.077 -6.473 13 HB2 SER 3 2HB SER 3 30.597 7.974 -4.332 14 HB3 SER 3 3HB SER 3 28.925 8.491 -4.113 15 HG SER 3 HG SER 3 29.929 5.859 -4.386 16 H THR 4 H THR 4 27.019 8.561 -5.623 17 HA THR 4 HA THR 4 27.240 11.366 -6.036 18 HB THR 4 HB THR 4 27.308 10.796 -8.385 19 HG1 THR 4 HG1 THR 4 26.100 12.560 -8.349 20 HG21 THR 4 3HG2 THR 4 24.731 9.710 -8.850 21 HG22 THR 4 1HG2 THR 4 25.504 8.728 -7.606 22 HG23 THR 4 2HG2 THR 4 26.301 8.968 -9.161 23 H SER 5 H SER 5 25.409 12.479 -5.369 24 HA SER 5 HA SER 5 23.215 10.800 -4.339 25 HB2 SER 5 2HB SER 5 24.862 12.849 -3.026 26 HB3 SER 5 3HB SER 5 23.128 13.060 -2.784 27 HG SER 5 HG SER 5 23.246 11.500 -1.399 28 H MET 6 H MET 6 21.160 12.057 -3.993 29 HA MET 6 HA MET 6 20.810 14.331 -5.775 30 HB2 MET 6 2HB MET 6 19.114 13.355 -7.113 31 HB3 MET 6 3HB MET 6 20.447 12.209 -7.108 32 HG2 MET 6 2HG MET 6 18.833 11.485 -4.948 33 HG3 MET 6 3HG MET 6 17.726 11.856 -6.268 34 HE1 MET 6 3HE MET 6 19.319 8.469 -4.935 35 HE2 MET 6 1HE MET 6 17.829 9.405 -4.831 36 HE3 MET 6 2HE MET 6 17.942 8.053 -5.957 37 H GLU 7 H GLU 7 18.153 14.647 -5.781 38 HA GLU 7 HA GLU 7 17.359 14.568 -2.945 39 HB2 GLU 7 2HB GLU 7 17.184 16.850 -4.902 40 HB3 GLU 7 3HB GLU 7 16.169 16.781 -3.469 41 HG2 GLU 7 2HG GLU 7 17.905 17.164 -2.043 42 HG3 GLU 7 3HG GLU 7 19.096 16.444 -3.124 43 H ASN 8 H ASN 8 16.675 13.467 -5.940 44 HA ASN 8 HA ASN 8 13.955 12.806 -5.210 45 HB2 ASN 8 2HB ASN 8 14.521 14.314 -7.772 46 HB3 ASN 8 3HB ASN 8 12.966 13.640 -7.295 47 HD21 ASN 8 1HD2 ASN 8 12.136 14.431 -5.161 48 HD22 ASN 8 2HD2 ASN 8 12.345 16.111 -4.811 49 H LEU 9 H LEU 9 13.743 10.715 -5.612 50 HA LEU 9 HA LEU 9 15.591 9.166 -7.015 51 HB2 LEU 9 2HB LEU 9 14.251 8.072 -5.433 52 HB3 LEU 9 3HB LEU 9 12.760 8.680 -6.148 53 HG LEU 9 HG LEU 9 13.078 7.186 -8.066 54 HD11 LEU 9 1HD1 LEU 9 15.192 6.592 -8.487 55 HD12 LEU 9 2HD1 LEU 9 14.913 5.317 -7.301 56 HD13 LEU 9 3HD1 LEU 9 15.693 6.821 -6.812 57 HD21 LEU 9 3HD2 LEU 9 13.379 5.425 -5.684 58 HD22 LEU 9 1HD2 LEU 9 12.230 5.334 -7.020 59 HD23 LEU 9 2HD2 LEU 9 12.013 6.540 -5.751 60 H VAL 10 H VAL 10 12.983 11.076 -8.159 61 HA VAL 10 HA VAL 10 12.171 9.818 -10.470 62 HB VAL 10 HB VAL 10 11.306 12.004 -9.558 63 HG11 VAL 10 1HG1 VAL 10 13.775 12.923 -9.635 64 HG12 VAL 10 2HG1 VAL 10 13.296 13.416 -11.262 65 HG13 VAL 10 3HG1 VAL 10 12.393 13.995 -9.861 66 HG21 VAL 10 3HG2 VAL 10 10.819 10.983 -11.854 67 HG22 VAL 10 1HG2 VAL 10 10.455 12.694 -11.628 68 HG23 VAL 10 2HG2 VAL 10 11.915 12.208 -12.491 69 H SER 11 H SER 11 15.195 11.417 -9.801 70 HA SER 11 HA SER 11 16.133 11.898 -12.371 71 HB2 SER 11 2HB SER 11 17.598 12.776 -10.856 72 HB3 SER 11 3HB SER 11 17.381 11.447 -9.717 73 HG SER 11 HG SER 11 19.428 11.784 -11.217 74 H LEU 12 H LEU 12 16.275 8.937 -10.438 75 HA LEU 12 HA LEU 12 17.741 7.464 -12.404 76 HB2 LEU 12 2HB LEU 12 17.101 7.119 -9.739 77 HB3 LEU 12 3HB LEU 12 16.168 5.866 -10.554 78 HG LEU 12 HG LEU 12 19.100 6.177 -11.089 79 HD11 LEU 12 1HD1 LEU 12 18.271 4.194 -9.073 80 HD12 LEU 12 2HD1 LEU 12 18.276 5.877 -8.549 81 HD13 LEU 12 3HD1 LEU 12 19.748 5.149 -9.191 82 HD21 LEU 12 3HD2 LEU 12 17.154 3.877 -11.216 83 HD22 LEU 12 1HD2 LEU 12 18.887 3.748 -11.518 84 HD23 LEU 12 2HD2 LEU 12 17.878 4.732 -12.579 85 H GLN 13 H GLN 13 14.360 7.968 -11.660 86 HA GLN 13 HA GLN 13 13.323 5.843 -13.220 87 HB2 GLN 13 2HB GLN 13 11.892 8.434 -12.660 88 HB3 GLN 13 3HB GLN 13 11.195 6.839 -12.905 89 HG2 GLN 13 2HG GLN 13 12.424 6.160 -10.781 90 HG3 GLN 13 3HG GLN 13 12.669 7.886 -10.515 91 HE21 GLN 13 1HE2 GLN 13 10.457 9.106 -11.051 92 HE22 GLN 13 2HE2 GLN 13 9.110 8.491 -10.161 93 H ASN 14 H ASN 14 14.408 5.885 -15.210 94 HA ASN 14 HA ASN 14 14.635 6.364 -17.422 95 HB2 ASN 14 2HB ASN 14 12.361 8.321 -17.202 96 HB3 ASN 14 3HB ASN 14 12.819 7.316 -18.574 97 HD21 ASN 14 1HD2 ASN 14 10.481 7.703 -16.446 98 HD22 ASN 14 2HD2 ASN 14 9.955 6.072 -16.223 99 H LEU 15 H LEU 15 16.483 7.424 -17.767 100 HA LEU 15 HA LEU 15 16.426 10.346 -17.724 101 HB2 LEU 15 2HB LEU 15 18.875 10.091 -16.788 102 HB3 LEU 15 3HB LEU 15 17.479 10.198 -15.718 103 HG LEU 15 HG LEU 15 17.510 7.783 -15.407 104 HD11 LEU 15 1HD1 LEU 15 20.011 7.755 -17.084 105 HD12 LEU 15 2HD1 LEU 15 18.423 7.260 -17.669 106 HD13 LEU 15 3HD1 LEU 15 19.191 6.376 -16.350 107 HD21 LEU 15 3HD2 LEU 15 19.151 9.547 -14.242 108 HD22 LEU 15 1HD2 LEU 15 20.350 8.464 -14.948 109 HD23 LEU 15 2HD2 LEU 15 19.139 7.830 -13.835 110 H LEU 16 H LEU 16 16.192 9.318 -20.044 111 HA LEU 16 HA LEU 16 18.704 8.551 -21.248 112 HB2 LEU 16 2HB LEU 16 16.481 7.638 -21.941 113 HB3 LEU 16 3HB LEU 16 16.100 9.225 -22.604 114 HG LEU 16 HG LEU 16 18.421 8.711 -23.886 115 HD11 LEU 16 1HD1 LEU 16 18.219 6.378 -22.692 116 HD12 LEU 16 2HD1 LEU 16 18.776 6.503 -24.360 117 HD13 LEU 16 3HD1 LEU 16 17.109 6.044 -24.021 118 HD21 LEU 16 3HD2 LEU 16 16.545 7.528 -25.528 119 HD22 LEU 16 1HD2 LEU 16 16.906 9.251 -25.429 120 HD23 LEU 16 2HD2 LEU 16 15.582 8.573 -24.483 121 H VAL 17 H VAL 17 19.328 10.851 -20.203 122 HA VAL 17 HA VAL 17 18.798 13.063 -21.993 123 HB VAL 17 HB VAL 17 20.132 14.405 -20.501 124 HG11 VAL 17 1HG1 VAL 17 18.645 12.604 -18.632 125 HG12 VAL 17 2HG1 VAL 17 18.739 14.366 -18.654 126 HG13 VAL 17 3HG1 VAL 17 17.775 13.519 -19.864 127 HG21 VAL 17 3HG2 VAL 17 21.124 13.239 -18.443 128 HG22 VAL 17 1HG2 VAL 17 20.996 11.755 -19.388 129 HG23 VAL 17 2HG2 VAL 17 21.993 13.089 -19.971 130 H TYR 18 H TYR 18 20.676 14.385 -22.789 131 HA TYR 18 HA TYR 18 22.875 12.644 -23.690 132 HB2 TYR 18 2HB TYR 18 20.905 13.933 -25.277 133 HB3 TYR 18 3HB TYR 18 22.432 14.757 -25.567 134 HD1 TYR 18 HD2 TYR 18 20.702 11.503 -25.744 135 HD2 TYR 18 HD1 TYR 18 24.192 13.702 -26.784 136 HE1 TYR 18 HE2 TYR 18 21.383 9.693 -27.262 137 HE2 TYR 18 HE1 TYR 18 24.882 11.899 -28.307 138 HH TYR 18 HH TYR 18 23.341 9.920 -29.631 139 H VAL 19 H VAL 19 22.121 16.111 -23.986 140 HA VAL 19 HA VAL 19 24.836 16.731 -23.098 141 HB VAL 19 HB VAL 19 24.369 19.018 -23.866 142 HG11 VAL 19 1HG1 VAL 19 24.944 16.888 -25.389 143 HG12 VAL 19 2HG1 VAL 19 23.452 17.416 -26.171 144 HG13 VAL 19 3HG1 VAL 19 24.815 18.526 -26.028 145 HG21 VAL 19 3HG2 VAL 19 21.665 17.901 -24.601 146 HG22 VAL 19 1HG2 VAL 19 22.003 19.150 -23.402 147 HG23 VAL 19 2HG2 VAL 19 22.281 19.472 -25.113 148 H ASN 20 H ASN 20 21.479 17.204 -22.184 149 HA ASN 20 HA ASN 20 22.328 17.943 -19.504 150 HB2 ASN 20 2HB ASN 20 20.857 19.774 -21.361 151 HB3 ASN 20 3HB ASN 20 20.482 19.820 -19.641 152 HD21 ASN 20 1HD2 ASN 20 22.477 20.973 -22.049 153 HD22 ASN 20 2HD2 ASN 20 23.708 21.672 -21.061 154 H TRP 21 H TRP 21 19.294 18.077 -21.374 155 HA TRP 21 HA TRP 21 18.176 16.073 -19.529 156 HB2 TRP 21 2HB TRP 21 16.179 17.261 -19.279 157 HB3 TRP 21 3HB TRP 21 17.405 18.525 -19.215 158 HD1 TRP 21 HD1 TRP 21 14.314 17.536 -21.040 159 HE1 TRP 21 HE1 TRP 21 13.870 19.168 -22.981 160 HE3 TRP 21 HE3 TRP 21 18.806 19.977 -21.090 161 HZ2 TRP 21 HZ2 TRP 21 15.244 21.216 -24.353 162 HZ3 TRP 21 HZ3 TRP 21 19.161 21.759 -22.748 163 HH2 TRP 21 HH2 TRP 21 17.416 22.365 -24.345 164 H SER 22 H SER 22 18.170 17.486 -22.747 165 HA SER 22 HA SER 22 17.268 16.780 -24.732 166 HB2 SER 22 2HB SER 22 19.241 15.170 -24.080 167 HB3 SER 22 3HB SER 22 17.951 13.979 -23.913 168 HG SER 22 HG SER 22 18.871 15.307 -26.199 169 H SER 23 H SER 23 15.097 17.292 -23.767 170 HA SER 23 HA SER 23 12.886 16.818 -23.515 171 HB2 SER 23 2HB SER 23 13.279 14.110 -24.731 172 HB3 SER 23 3HB SER 23 11.968 15.263 -24.973 173 HG SER 23 HG SER 23 13.021 15.951 -26.641 174 H TYR 24 H TYR 24 12.518 16.623 -21.377 175 HA TYR 24 HA TYR 24 13.482 14.750 -19.615 176 HB2 TYR 24 2HB TYR 24 11.296 16.673 -19.645 177 HB3 TYR 24 3HB TYR 24 10.916 15.256 -18.672 178 HD1 TYR 24 HD1 TYR 24 14.240 16.840 -19.172 179 HD2 TYR 24 HD2 TYR 24 11.024 16.100 -16.487 180 HE1 TYR 24 HE1 TYR 24 15.580 17.756 -17.324 181 HE2 TYR 24 HE2 TYR 24 12.355 17.015 -14.631 182 HH TYR 24 HH TYR 24 14.510 18.851 -14.643 183 HA PRO 25 HA PRO 25 11.500 10.907 -20.357 184 HB2 PRO 25 2HB PRO 25 11.099 9.981 -17.837 185 HB3 PRO 25 3HB PRO 25 12.698 10.065 -18.586 186 HG2 PRO 25 2HG PRO 25 11.411 11.952 -16.651 187 HG3 PRO 25 3HG PRO 25 13.076 11.342 -16.680 188 HD2 PRO 25 2HD PRO 25 12.408 13.800 -17.599 189 HD3 PRO 25 3HD PRO 25 13.732 12.845 -18.299 190 H LYS 26 H LYS 26 9.493 10.305 -20.882 191 HA LYS 26 HA LYS 26 7.238 11.854 -20.134 192 HB2 LYS 26 2HB LYS 26 6.994 10.918 -22.234 193 HB3 LYS 26 3HB LYS 26 7.680 9.375 -21.742 194 HG2 LYS 26 2HG LYS 26 5.108 10.148 -20.504 195 HG3 LYS 26 3HG LYS 26 5.084 9.723 -22.217 196 HD2 LYS 26 2HD LYS 26 6.369 7.630 -21.556 197 HD3 LYS 26 3HD LYS 26 5.966 8.036 -19.886 198 HE2 LYS 26 2HE LYS 26 3.580 8.003 -20.474 199 HE3 LYS 26 3HE LYS 26 4.003 7.557 -22.127 200 HZ1 LYS 26 3HZ LYS 26 4.864 5.492 -21.389 201 HZ2 LYS 26 1HZ LYS 26 3.346 5.670 -20.664 202 HZ3 LYS 26 2HZ LYS 26 4.749 5.936 -19.760 203 H TYR 27 H TYR 27 5.646 11.498 -18.666 204 HA TYR 27 HA TYR 27 6.115 10.155 -16.324 205 HB2 TYR 27 2HB TYR 27 4.311 11.448 -15.941 206 HB3 TYR 27 3HB TYR 27 3.782 11.359 -17.617 207 HD1 TYR 27 HD2 TYR 27 3.893 9.290 -14.512 208 HD2 TYR 27 HD1 TYR 27 1.838 10.206 -18.123 209 HE1 TYR 27 HE2 TYR 27 2.069 7.779 -13.851 210 HE2 TYR 27 HE1 TYR 27 0.007 8.698 -17.471 211 HH TYR 27 HH TYR 27 -0.655 7.128 -16.013 212 H GLU 28 H GLU 28 6.342 8.081 -15.852 213 HA GLU 28 HA GLU 28 5.261 6.065 -17.668 214 HB2 GLU 28 2HB GLU 28 7.693 6.151 -16.721 215 HB3 GLU 28 3HB GLU 28 6.969 5.441 -15.285 216 HG2 GLU 28 2HG GLU 28 5.961 3.808 -17.162 217 HG3 GLU 28 3HG GLU 28 7.477 4.264 -17.936 218 HA PRO 29 HA PRO 29 1.881 5.568 -14.767 219 HB2 PRO 29 2HB PRO 29 0.508 3.799 -16.301 220 HB3 PRO 29 3HB PRO 29 0.494 5.541 -16.598 221 HG2 PRO 29 2HG PRO 29 2.098 3.403 -17.946 222 HG3 PRO 29 3HG PRO 29 1.248 4.784 -18.663 223 HD2 PRO 29 2HD PRO 29 3.922 4.783 -18.233 224 HD3 PRO 29 3HD PRO 29 2.940 6.259 -18.139 225 H GLY 30 H GLY 30 1.902 4.263 -13.051 226 HA2 GLY 30 2HA GLY 30 1.700 2.102 -12.056 227 HA3 GLY 30 3HA GLY 30 2.560 1.424 -13.430 228 H LYS 31 H LYS 31 3.774 4.322 -11.997 229 HA LYS 31 HA LYS 31 5.767 2.800 -10.469 230 HB2 LYS 31 2HB LYS 31 6.925 3.258 -12.488 231 HB3 LYS 31 3HB LYS 31 6.296 4.898 -12.566 232 HG2 LYS 31 2HG LYS 31 7.792 5.696 -11.031 233 HG3 LYS 31 3HG LYS 31 7.985 4.129 -10.241 234 HD2 LYS 31 2HD LYS 31 8.998 4.756 -13.012 235 HD3 LYS 31 3HD LYS 31 9.978 4.892 -11.550 236 HE2 LYS 31 2HE LYS 31 8.970 2.387 -11.278 237 HE3 LYS 31 3HE LYS 31 9.102 2.509 -13.032 238 HZ1 LYS 31 3HZ LYS 31 11.158 1.708 -12.411 239 HZ2 LYS 31 1HZ LYS 31 11.233 2.643 -11.002 240 HZ3 LYS 31 2HZ LYS 31 11.457 3.370 -12.513 241 H GLU 32 H GLU 32 5.751 3.481 -8.440 242 HA GLU 32 HA GLU 32 4.342 5.576 -7.390 243 HB2 GLU 32 2HB GLU 32 6.434 3.801 -6.465 244 HB3 GLU 32 3HB GLU 32 6.594 5.395 -5.742 245 HG2 GLU 32 2HG GLU 32 5.207 3.690 -4.486 246 HG3 GLU 32 3HG GLU 32 4.490 5.281 -4.735 247 H TYR 33 H TYR 33 4.774 7.695 -6.784 248 HA TYR 33 HA TYR 33 7.233 8.894 -7.859 249 HB2 TYR 33 2HB TYR 33 4.401 9.845 -8.272 250 HB3 TYR 33 3HB TYR 33 5.797 10.889 -8.512 251 HD1 TYR 33 HD1 TYR 33 7.645 9.909 -10.122 252 HD2 TYR 33 HD2 TYR 33 3.576 8.665 -10.080 253 HE1 TYR 33 HE1 TYR 33 7.886 9.063 -12.418 254 HE2 TYR 33 HE2 TYR 33 3.806 7.815 -12.376 255 HH TYR 33 HH TYR 33 6.871 7.544 -13.937 256 H ASN 34 H ASN 34 8.300 9.646 -6.154 257 HA ASN 34 HA ASN 34 6.971 10.420 -3.730 258 HB2 ASN 34 2HB ASN 34 9.854 10.454 -4.617 259 HB3 ASN 34 3HB ASN 34 9.346 11.085 -3.054 260 HD21 ASN 34 1HD2 ASN 34 8.937 8.198 -5.074 261 HD22 ASN 34 2HD2 ASN 34 9.066 7.064 -3.777 262 H GLN 35 H GLN 35 7.641 12.549 -2.666 263 HA GLN 35 HA GLN 35 6.628 14.680 -4.207 264 HB2 GLN 35 2HB GLN 35 6.934 16.029 -2.301 265 HB3 GLN 35 3HB GLN 35 6.603 14.422 -1.670 266 HG2 GLN 35 2HG GLN 35 9.324 15.681 -1.936 267 HG3 GLN 35 3HG GLN 35 8.395 15.525 -0.445 268 HE21 GLN 35 1HE2 GLN 35 7.468 13.032 -0.478 269 HE22 GLN 35 2HE2 GLN 35 8.758 11.883 -0.513 270 H GLY 36 H GLY 36 7.586 16.254 -5.380 271 HA2 GLY 36 2HA GLY 36 9.371 17.665 -6.029 272 HA3 GLY 36 3HA GLY 36 10.495 16.560 -5.254 273 H ASP 37 H ASP 37 8.934 14.322 -6.670 274 HA ASP 37 HA ASP 37 10.719 13.911 -8.775 275 HB2 ASP 37 2HB ASP 37 7.987 12.741 -8.242 276 HB3 ASP 37 3HB ASP 37 9.034 12.185 -9.544 277 H ILE 38 H ILE 38 10.801 14.572 -10.829 278 HA ILE 38 HA ILE 38 8.490 16.070 -11.880 279 HB ILE 38 HB ILE 38 11.415 16.450 -12.530 280 HG12 ILE 38 2HG1 ILE 38 9.496 18.311 -11.116 281 HG13 ILE 38 3HG1 ILE 38 10.663 17.284 -10.291 282 HG21 ILE 38 1HG2 ILE 38 8.911 17.626 -13.671 283 HG22 ILE 38 2HG2 ILE 38 10.417 18.542 -13.677 284 HG23 ILE 38 3HG2 ILE 38 10.328 16.989 -14.506 285 HD11 ILE 38 3HD1 ILE 38 11.234 19.570 -12.155 286 HD12 ILE 38 1HD1 ILE 38 11.573 19.473 -10.428 287 HD13 ILE 38 2HD1 ILE 38 12.463 18.454 -11.560 288 H VAL 39 H VAL 39 7.614 15.444 -13.760 289 HA VAL 39 HA VAL 39 9.122 13.679 -15.541 290 HB VAL 39 HB VAL 39 7.388 12.052 -15.726 291 HG11 VAL 39 1HG1 VAL 39 8.970 11.871 -13.802 292 HG12 VAL 39 2HG1 VAL 39 7.724 12.590 -12.780 293 HG13 VAL 39 3HG1 VAL 39 7.436 11.036 -13.563 294 HG21 VAL 39 3HG2 VAL 39 5.324 12.188 -14.348 295 HG22 VAL 39 1HG2 VAL 39 5.793 13.821 -13.876 296 HG23 VAL 39 2HG2 VAL 39 5.441 13.459 -15.566 297 H GLU 40 H GLU 40 8.575 13.846 -17.690 298 HA GLU 40 HA GLU 40 7.004 16.175 -18.403 299 HB2 GLU 40 2HB GLU 40 9.087 15.928 -19.553 300 HB3 GLU 40 3HB GLU 40 8.705 14.274 -20.012 301 HG2 GLU 40 2HG GLU 40 6.872 15.120 -21.424 302 HG3 GLU 40 3HG GLU 40 7.345 16.766 -21.009 303 H TYR 41 H TYR 41 5.227 16.171 -19.812 304 HA TYR 41 HA TYR 41 4.055 13.672 -20.661 305 HB2 TYR 41 2HB TYR 41 3.225 13.678 -18.408 306 HB3 TYR 41 3HB TYR 41 2.748 15.367 -18.528 307 HD1 TYR 41 HD2 TYR 41 0.767 16.007 -19.838 308 HD2 TYR 41 HD1 TYR 41 1.845 11.926 -19.305 309 HE1 TYR 41 HE2 TYR 41 -1.480 15.324 -20.567 310 HE2 TYR 41 HE1 TYR 41 -0.399 11.232 -20.034 311 HH TYR 41 HH TYR 41 -2.825 13.624 -21.039 312 H ASN 42 H ASN 42 3.263 14.028 -22.617 313 HA ASN 42 HA ASN 42 2.446 15.077 -24.465 314 HB2 ASN 42 2HB ASN 42 0.463 15.192 -22.887 315 HB3 ASN 42 3HB ASN 42 0.944 16.849 -22.537 316 HD21 ASN 42 1HD2 ASN 42 -0.979 17.658 -23.368 317 HD22 ASN 42 2HD2 ASN 42 -1.293 17.713 -25.065 318 H GLY 43 H GLY 43 4.877 16.144 -23.134 319 HA2 GLY 43 2HA GLY 43 6.373 17.773 -23.876 320 HA3 GLY 43 3HA GLY 43 5.044 18.591 -24.685 321 H LYS 44 H LYS 44 4.649 17.698 -21.373 322 HA LYS 44 HA LYS 44 5.034 20.515 -20.594 323 HB2 LYS 44 2HB LYS 44 3.003 18.497 -19.636 324 HB3 LYS 44 3HB LYS 44 3.306 20.022 -18.814 325 HG2 LYS 44 2HG LYS 44 2.886 20.619 -21.540 326 HG3 LYS 44 3HG LYS 44 1.622 19.492 -21.046 327 HD2 LYS 44 2HD LYS 44 0.827 20.927 -19.382 328 HD3 LYS 44 3HD LYS 44 2.316 21.875 -19.361 329 HE2 LYS 44 2HE LYS 44 1.656 22.395 -21.843 330 HE3 LYS 44 3HE LYS 44 0.043 21.941 -21.295 331 HZ1 LYS 44 3HZ LYS 44 -0.113 24.049 -20.634 332 HZ2 LYS 44 1HZ LYS 44 1.551 24.323 -20.760 333 HZ3 LYS 44 2HZ LYS 44 0.913 23.626 -19.358 334 H LEU 45 H LEU 45 5.019 20.480 -17.964 335 HA LEU 45 HA LEU 45 6.791 18.370 -17.002 336 HB2 LEU 45 2HB LEU 45 7.494 21.259 -17.262 337 HB3 LEU 45 3HB LEU 45 8.151 20.325 -15.920 338 HG LEU 45 HG LEU 45 8.554 19.730 -18.852 339 HD11 LEU 45 1HD1 LEU 45 10.894 20.300 -17.233 340 HD12 LEU 45 2HD1 LEU 45 9.775 21.661 -17.302 341 HD13 LEU 45 3HD1 LEU 45 10.407 20.962 -18.793 342 HD21 LEU 45 3HD2 LEU 45 9.388 18.322 -16.341 343 HD22 LEU 45 1HD2 LEU 45 10.327 18.179 -17.827 344 HD23 LEU 45 2HD2 LEU 45 8.643 17.656 -17.795 345 H TYR 46 H TYR 46 5.842 17.641 -15.226 346 HA TYR 46 HA TYR 46 4.594 19.589 -13.400 347 HB2 TYR 46 2HB TYR 46 3.774 16.714 -13.859 348 HB3 TYR 46 3HB TYR 46 3.012 17.838 -12.741 349 HD1 TYR 46 HD1 TYR 46 3.468 16.958 -16.276 350 HD2 TYR 46 HD2 TYR 46 1.522 19.565 -13.534 351 HE1 TYR 46 HE1 TYR 46 1.951 17.697 -18.064 352 HE2 TYR 46 HE2 TYR 46 -0.000 20.312 -15.314 353 HH TYR 46 HH TYR 46 -0.856 19.152 -17.611 354 H LYS 47 H LYS 47 4.640 19.027 -11.127 355 HA LYS 47 HA LYS 47 6.782 17.155 -10.389 356 HB2 LYS 47 2HB LYS 47 7.786 19.350 -10.335 357 HB3 LYS 47 3HB LYS 47 6.440 19.990 -9.403 358 HG2 LYS 47 2HG LYS 47 7.196 19.124 -7.452 359 HG3 LYS 47 3HG LYS 47 7.916 17.711 -8.229 360 HD2 LYS 47 2HD LYS 47 9.860 18.761 -7.804 361 HD3 LYS 47 3HD LYS 47 9.456 19.705 -9.241 362 HE2 LYS 47 2HE LYS 47 9.944 21.346 -7.682 363 HE3 LYS 47 3HE LYS 47 8.188 21.231 -7.576 364 HZ1 LYS 47 3HZ LYS 47 10.193 20.101 -5.708 365 HZ2 LYS 47 1HZ LYS 47 8.559 19.660 -5.678 366 HZ3 LYS 47 2HZ LYS 47 9.008 21.263 -5.379 367 H ALA 48 H ALA 48 5.994 15.672 -9.062 368 HA ALA 48 HA ALA 48 3.472 15.784 -7.852 369 HB1 ALA 48 1HB ALA 48 4.351 13.647 -8.218 370 HB2 ALA 48 2HB ALA 48 5.865 14.031 -7.399 371 HB3 ALA 48 3HB ALA 48 4.381 13.840 -6.466 372 H LYS 49 H LYS 49 2.831 17.050 -6.248 373 HA LYS 49 HA LYS 49 4.523 18.545 -4.591 374 HB2 LYS 49 2HB LYS 49 1.694 17.753 -3.902 375 HB3 LYS 49 3HB LYS 49 2.558 19.200 -3.401 376 HG2 LYS 49 2HG LYS 49 2.661 19.755 -5.909 377 HG3 LYS 49 3HG LYS 49 1.395 18.536 -6.077 378 HD2 LYS 49 2HD LYS 49 -0.170 19.880 -5.195 379 HD3 LYS 49 3HD LYS 49 0.909 20.448 -3.918 380 HE2 LYS 49 2HE LYS 49 2.046 21.825 -5.752 381 HE3 LYS 49 3HE LYS 49 0.621 21.470 -6.728 382 HZ1 LYS 49 3HZ LYS 49 -0.759 22.608 -5.228 383 HZ2 LYS 49 1HZ LYS 49 0.585 23.614 -5.435 384 HZ3 LYS 49 2HZ LYS 49 0.435 22.680 -4.032 385 H TYR 50 H TYR 50 2.755 15.531 -3.955 386 HA TYR 50 HA TYR 50 4.694 14.885 -1.872 387 HB2 TYR 50 2HB TYR 50 3.074 14.433 -0.190 388 HB3 TYR 50 3HB TYR 50 2.697 16.034 -0.815 389 HD1 TYR 50 HD1 TYR 50 0.999 15.922 -2.926 390 HD2 TYR 50 HD2 TYR 50 1.281 13.047 0.197 391 HE1 TYR 50 HE1 TYR 50 -1.306 15.202 -3.389 392 HE2 TYR 50 HE2 TYR 50 -1.023 12.318 -0.259 393 HH TYR 50 HH TYR 50 -3.157 13.548 -1.368 394 H TRP 51 H TRP 51 4.145 12.584 -0.995 395 HA TRP 51 HA TRP 51 4.489 10.749 -3.020 396 HB2 TRP 51 2HB TRP 51 4.532 10.610 -0.316 397 HB3 TRP 51 3HB TRP 51 3.036 9.742 -0.648 398 HD1 TRP 51 HD1 TRP 51 6.782 9.595 -1.632 399 HE1 TRP 51 HE1 TRP 51 7.381 7.138 -2.106 400 HE3 TRP 51 HE3 TRP 51 2.142 7.511 -1.109 401 HZ2 TRP 51 HZ2 TRP 51 6.062 4.646 -2.241 402 HZ3 TRP 51 HZ3 TRP 51 1.898 5.084 -1.428 403 HH2 TRP 51 HH2 TRP 51 3.817 3.683 -1.982 404 H THR 52 H THR 52 3.175 10.365 -4.675 405 HA THR 52 HA THR 52 0.488 9.443 -4.205 406 HB THR 52 HB THR 52 0.804 11.868 -5.976 407 HG1 THR 52 HG1 THR 52 0.649 13.022 -4.219 408 HG21 THR 52 3HG2 THR 52 -1.124 10.909 -6.724 409 HG22 THR 52 1HG2 THR 52 -1.790 11.785 -5.347 410 HG23 THR 52 2HG2 THR 52 -1.424 10.065 -5.204 411 H THR 53 H THR 53 -0.458 8.447 -6.053 412 HA THR 53 HA THR 53 1.382 8.047 -8.316 413 HB THR 53 HB THR 53 -0.277 5.718 -7.788 414 HG1 THR 53 HG1 THR 53 0.234 5.349 -5.768 415 HG21 THR 53 3HG2 THR 53 1.439 5.248 -9.219 416 HG22 THR 53 1HG2 THR 53 2.218 4.798 -7.703 417 HG23 THR 53 2HG2 THR 53 2.549 6.369 -8.432 418 H SER 54 H SER 54 0.402 8.984 -9.992 419 HA SER 54 HA SER 54 -1.911 7.965 -11.162 420 HB2 SER 54 2HB SER 54 -2.390 10.036 -9.138 421 HB3 SER 54 3HB SER 54 -3.109 10.399 -10.707 422 HG SER 54 HG SER 54 -3.652 8.306 -8.935 423 HA PRO 55 HA PRO 55 -0.271 10.267 -14.522 424 HB2 PRO 55 2HB PRO 55 -2.457 10.445 -16.123 425 HB3 PRO 55 3HB PRO 55 -1.558 8.941 -15.889 426 HG2 PRO 55 2HG PRO 55 -4.101 9.847 -14.596 427 HG3 PRO 55 3HG PRO 55 -3.680 8.249 -15.237 428 HD2 PRO 55 2HD PRO 55 -3.590 8.828 -12.593 429 HD3 PRO 55 3HD PRO 55 -2.479 7.671 -13.356 430 HA PRO 56 HA PRO 56 -1.146 14.545 -13.926 431 HB2 PRO 56 2HB PRO 56 -0.264 15.538 -16.294 432 HB3 PRO 56 3HB PRO 56 0.827 14.959 -15.029 433 HG2 PRO 56 2HG PRO 56 -0.112 13.563 -17.505 434 HG3 PRO 56 3HG PRO 56 1.515 13.619 -16.800 435 HD2 PRO 56 2HD PRO 56 -0.139 11.500 -16.478 436 HD3 PRO 56 3HD PRO 56 1.032 11.994 -15.239 437 H SER 57 H SER 57 -2.910 15.784 -14.125 438 HA SER 57 HA SER 57 -4.288 16.363 -16.475 439 HB2 SER 57 2HB SER 57 -6.436 15.028 -15.832 440 HB3 SER 57 3HB SER 57 -5.146 14.205 -16.709 441 HG SER 57 HG SER 57 -5.048 12.883 -15.094 442 H ASP 58 H ASP 58 -5.597 15.407 -13.305 443 HA ASP 58 HA ASP 58 -6.008 18.231 -12.649 444 HB2 ASP 58 2HB ASP 58 -8.137 16.154 -12.976 445 HB3 ASP 58 3HB ASP 58 -8.342 17.406 -11.753 446 H ASP 59 H ASP 59 -5.179 18.586 -10.710 447 HA ASP 59 HA ASP 59 -5.113 16.370 -8.774 448 HB2 ASP 59 2HB ASP 59 -3.328 18.040 -7.719 449 HB3 ASP 59 3HB ASP 59 -2.892 16.892 -8.982 450 HA PRO 60 HA PRO 60 -8.152 19.350 -7.016 451 HB2 PRO 60 2HB PRO 60 -9.736 17.426 -5.941 452 HB3 PRO 60 3HB PRO 60 -9.881 17.962 -7.619 453 HG2 PRO 60 2HG PRO 60 -8.500 15.547 -6.514 454 HG3 PRO 60 3HG PRO 60 -9.534 15.686 -7.949 455 HD2 PRO 60 2HD PRO 60 -6.831 15.625 -8.100 456 HD3 PRO 60 3HD PRO 60 -7.831 16.541 -9.247 457 H TYR 61 H TYR 61 -6.043 16.960 -5.789 458 HA TYR 61 HA TYR 61 -6.494 17.894 -3.032 459 HB2 TYR 61 2HB TYR 61 -4.957 15.672 -2.727 460 HB3 TYR 61 3HB TYR 61 -6.715 15.673 -2.669 461 HD1 TYR 61 HD1 TYR 61 -3.933 15.392 -5.149 462 HD2 TYR 61 HD2 TYR 61 -7.859 14.194 -4.028 463 HE1 TYR 61 HE1 TYR 61 -3.989 13.823 -7.042 464 HE2 TYR 61 HE2 TYR 61 -7.925 12.621 -5.918 465 HH TYR 61 HH TYR 61 -6.896 11.945 -7.787 466 H GLY 62 H GLY 62 -4.488 18.267 -5.629 467 HA2 GLY 62 2HA GLY 62 -2.533 19.515 -5.757 468 HA3 GLY 62 3HA GLY 62 -2.449 19.507 -4.001 469 H SER 63 H SER 63 -2.494 16.888 -6.413 470 HA SER 63 HA SER 63 -0.265 15.628 -5.025 471 HB2 SER 63 2HB SER 63 -0.772 13.661 -6.316 472 HB3 SER 63 3HB SER 63 -2.298 14.323 -5.732 473 HG SER 63 HG SER 63 -2.197 13.699 -8.024 474 H TRP 64 H TRP 64 -0.778 17.670 -7.665 475 HA TRP 64 HA TRP 64 1.967 17.197 -8.584 476 HB2 TRP 64 2HB TRP 64 -0.521 17.231 -10.268 477 HB3 TRP 64 3HB TRP 64 1.022 17.737 -10.951 478 HD1 TRP 64 HD1 TRP 64 -0.994 14.692 -10.200 479 HE1 TRP 64 HE1 TRP 64 0.364 12.576 -10.757 480 HE3 TRP 64 HE3 TRP 64 3.606 16.826 -10.848 481 HZ2 TRP 64 HZ2 TRP 64 3.031 11.902 -11.387 482 HZ3 TRP 64 HZ3 TRP 64 5.508 15.377 -11.427 483 HH2 TRP 64 HH2 TRP 64 5.225 12.966 -11.689 484 H GLU 65 H GLU 65 2.873 19.031 -9.781 485 HA GLU 65 HA GLU 65 1.491 21.576 -9.421 486 HB2 GLU 65 2HB GLU 65 2.925 21.070 -7.379 487 HB3 GLU 65 3HB GLU 65 4.320 21.223 -8.440 488 HG2 GLU 65 2HG GLU 65 3.401 23.528 -9.030 489 HG3 GLU 65 3HG GLU 65 2.351 23.329 -7.627 490 H TYR 66 H TYR 66 1.435 22.228 -11.481 491 HA TYR 66 HA TYR 66 3.364 21.596 -13.438 492 HB2 TYR 66 2HB TYR 66 1.219 22.139 -14.244 493 HB3 TYR 66 3HB TYR 66 1.144 23.625 -13.304 494 HD1 TYR 66 HD2 TYR 66 2.277 25.640 -14.069 495 HD2 TYR 66 HD1 TYR 66 2.405 22.056 -16.357 496 HE1 TYR 66 HE2 TYR 66 3.079 26.917 -16.013 497 HE2 TYR 66 HE1 TYR 66 3.207 23.321 -18.307 498 HH TYR 66 HH TYR 66 3.851 26.804 -18.098 499 H LEU 67 H LEU 67 5.397 22.278 -13.437 500 HA LEU 67 HA LEU 67 6.036 24.916 -12.336 501 HB2 LEU 67 2HB LEU 67 8.002 22.823 -13.218 502 HB3 LEU 67 3HB LEU 67 8.268 24.180 -12.125 503 HG LEU 67 HG LEU 67 6.566 21.766 -11.504 504 HD11 LEU 67 1HD1 LEU 67 9.442 22.365 -11.105 505 HD12 LEU 67 2HD1 LEU 67 8.630 20.825 -11.388 506 HD13 LEU 67 3HD1 LEU 67 8.580 21.568 -9.789 507 HD21 LEU 67 3HD2 LEU 67 7.393 23.110 -9.186 508 HD22 LEU 67 1HD2 LEU 67 5.762 23.004 -9.848 509 HD23 LEU 67 2HD2 LEU 67 6.807 24.354 -10.291 510 H GLY 68 H GLY 68 6.140 23.045 -15.295 511 HA2 GLY 68 2HA GLY 68 6.217 25.347 -16.933 512 HA3 GLY 68 3HA GLY 68 7.827 24.650 -16.835 513 H GLU 69 H GLU 69 7.645 24.301 -19.134 514 HA GLU 69 HA GLU 69 6.139 21.845 -19.742 515 HB2 GLU 69 2HB GLU 69 5.950 24.449 -21.009 516 HB3 GLU 69 3HB GLU 69 6.406 23.206 -22.164 517 HG2 GLU 69 2HG GLU 69 4.447 21.981 -21.795 518 HG3 GLU 69 3HG GLU 69 4.084 22.848 -20.304 519 H ALA 70 H ALA 70 7.035 20.591 -21.539 520 HA ALA 70 HA ALA 70 9.843 20.266 -21.274 521 HB1 ALA 70 1HB ALA 70 7.847 19.035 -23.162 522 HB2 ALA 70 2HB ALA 70 9.549 18.577 -23.103 523 HB3 ALA 70 3HB ALA 70 8.521 18.332 -21.692 524 H GLU 71 H GLU 71 7.805 21.949 -23.547 525 HA GLU 71 HA GLU 71 10.199 22.690 -25.097 526 HB2 GLU 71 2HB GLU 71 7.349 22.263 -25.952 527 HB3 GLU 71 3HB GLU 71 8.441 23.256 -26.906 528 HG2 GLU 71 2HG GLU 71 9.990 21.123 -26.677 529 HG3 GLU 71 3HG GLU 71 8.432 20.326 -26.465 530 HA PRO 72 HA PRO 72 9.192 26.642 -23.179 531 HB2 PRO 72 2HB PRO 72 11.553 27.811 -23.836 532 HB3 PRO 72 3HB PRO 72 11.372 26.719 -22.458 533 HG2 PRO 72 2HG PRO 72 12.435 26.151 -25.197 534 HG3 PRO 72 3HG PRO 72 13.060 25.624 -23.624 535 HD2 PRO 72 2HD PRO 72 11.582 24.010 -25.219 536 HD3 PRO 72 3HD PRO 72 11.526 23.912 -23.446 537 H THR 73 H THR 73 8.175 28.331 -24.074 538 HA THR 73 HA THR 73 8.868 29.172 -26.789 539 HB THR 73 HB THR 73 7.064 27.696 -27.261 540 HG1 THR 73 HG1 THR 73 6.838 29.659 -28.346 541 HG21 THR 73 3HG2 THR 73 5.542 29.078 -25.047 542 HG22 THR 73 1HG2 THR 73 6.179 27.434 -25.003 543 HG23 THR 73 2HG2 THR 73 4.884 27.850 -26.127 Start of MODEL 20 1 H1 GLY 1 H GLY 1 33.582 10.517 -10.135 2 HA2 GLY 1 2HA GLY 1 34.618 13.159 -10.740 3 HA3 GLY 1 3HA GLY 1 34.284 12.156 -12.144 4 HA PRO 2 HA PRO 2 30.044 13.248 -12.086 5 HB2 PRO 2 2HB PRO 2 28.767 10.902 -12.574 6 HB3 PRO 2 3HB PRO 2 29.703 11.759 -13.803 7 HG2 PRO 2 2HG PRO 2 30.493 9.421 -12.109 8 HG3 PRO 2 3HG PRO 2 30.780 9.699 -13.837 9 HD2 PRO 2 2HD PRO 2 32.685 10.116 -11.957 10 HD3 PRO 2 3HD PRO 2 32.582 11.082 -13.443 11 H SER 3 H SER 3 27.953 12.961 -11.020 12 HA SER 3 HA SER 3 28.267 11.805 -8.329 13 HB2 SER 3 2HB SER 3 26.060 13.565 -8.344 14 HB3 SER 3 3HB SER 3 27.627 13.815 -7.575 15 HG SER 3 HG SER 3 27.086 15.485 -9.062 16 H THR 4 H THR 4 27.172 9.998 -8.004 17 HA THR 4 HA THR 4 25.057 9.175 -9.772 18 HB THR 4 HB THR 4 26.695 7.557 -8.839 19 HG1 THR 4 HG1 THR 4 24.553 6.906 -9.524 20 HG21 THR 4 3HG2 THR 4 26.595 8.708 -6.522 21 HG22 THR 4 1HG2 THR 4 26.763 6.954 -6.590 22 HG23 THR 4 2HG2 THR 4 25.191 7.677 -6.248 23 H SER 5 H SER 5 25.315 10.502 -6.548 24 HA SER 5 HA SER 5 22.733 9.887 -5.621 25 HB2 SER 5 2HB SER 5 24.544 12.211 -4.924 26 HB3 SER 5 3HB SER 5 23.093 11.766 -4.027 27 HG SER 5 HG SER 5 25.432 10.881 -3.536 28 H MET 6 H MET 6 20.922 11.355 -5.330 29 HA MET 6 HA MET 6 20.754 13.644 -7.104 30 HB2 MET 6 2HB MET 6 18.945 12.867 -8.426 31 HB3 MET 6 3HB MET 6 20.157 11.594 -8.468 32 HG2 MET 6 2HG MET 6 18.516 10.994 -6.289 33 HG3 MET 6 3HG MET 6 17.431 11.494 -7.585 34 HE1 MET 6 3HE MET 6 18.998 7.768 -6.546 35 HE2 MET 6 1HE MET 6 17.915 9.007 -5.909 36 HE3 MET 6 2HE MET 6 17.309 7.812 -7.055 37 H GLU 7 H GLU 7 18.144 14.225 -7.054 38 HA GLU 7 HA GLU 7 17.387 14.164 -4.209 39 HB2 GLU 7 2HB GLU 7 16.540 16.484 -4.478 40 HB3 GLU 7 3HB GLU 7 18.283 16.354 -4.662 41 HG2 GLU 7 2HG GLU 7 16.669 16.171 -7.129 42 HG3 GLU 7 3HG GLU 7 16.737 17.742 -6.331 43 H ASN 8 H ASN 8 16.552 13.195 -7.203 44 HA ASN 8 HA ASN 8 13.784 12.826 -6.451 45 HB2 ASN 8 2HB ASN 8 14.488 14.305 -8.996 46 HB3 ASN 8 3HB ASN 8 12.873 13.792 -8.517 47 HD21 ASN 8 1HD2 ASN 8 12.141 14.633 -6.368 48 HD22 ASN 8 2HD2 ASN 8 12.532 16.273 -5.992 49 H LEU 9 H LEU 9 13.375 10.764 -6.855 50 HA LEU 9 HA LEU 9 15.006 9.029 -8.268 51 HB2 LEU 9 2HB LEU 9 12.045 8.615 -8.011 52 HB3 LEU 9 3HB LEU 9 13.325 7.404 -8.022 53 HG LEU 9 HG LEU 9 12.642 9.316 -5.792 54 HD11 LEU 9 1HD1 LEU 9 11.132 7.539 -5.711 55 HD12 LEU 9 2HD1 LEU 9 12.409 7.065 -4.593 56 HD13 LEU 9 3HD1 LEU 9 12.347 6.360 -6.208 57 HD21 LEU 9 3HD2 LEU 9 15.087 7.770 -6.365 58 HD22 LEU 9 1HD2 LEU 9 14.458 7.644 -4.723 59 HD23 LEU 9 2HD2 LEU 9 14.861 9.226 -5.394 60 H VAL 10 H VAL 10 12.513 11.151 -9.414 61 HA VAL 10 HA VAL 10 11.767 10.017 -11.811 62 HB VAL 10 HB VAL 10 10.896 12.169 -10.839 63 HG11 VAL 10 1HG1 VAL 10 13.435 13.017 -10.833 64 HG12 VAL 10 2HG1 VAL 10 12.908 13.699 -12.372 65 HG13 VAL 10 3HG1 VAL 10 12.056 14.114 -10.884 66 HG21 VAL 10 3HG2 VAL 10 10.012 12.774 -12.846 67 HG22 VAL 10 1HG2 VAL 10 11.575 12.758 -13.664 68 HG23 VAL 10 2HG2 VAL 10 10.738 11.242 -13.330 69 H SER 11 H SER 11 14.791 11.522 -10.954 70 HA SER 11 HA SER 11 15.782 11.972 -13.560 71 HB2 SER 11 2HB SER 11 17.947 12.232 -12.516 72 HB3 SER 11 3HB SER 11 16.732 12.967 -11.470 73 HG SER 11 HG SER 11 18.432 11.405 -10.585 74 H LEU 12 H LEU 12 16.099 9.233 -11.331 75 HA LEU 12 HA LEU 12 17.790 7.699 -13.012 76 HB2 LEU 12 2HB LEU 12 16.853 7.508 -10.426 77 HB3 LEU 12 3HB LEU 12 16.073 6.154 -11.240 78 HG LEU 12 HG LEU 12 18.355 5.421 -11.996 79 HD11 LEU 12 1HD1 LEU 12 20.202 6.575 -11.529 80 HD12 LEU 12 2HD1 LEU 12 19.707 6.856 -9.859 81 HD13 LEU 12 3HD1 LEU 12 19.128 7.919 -11.142 82 HD21 LEU 12 3HD2 LEU 12 18.952 4.453 -9.828 83 HD22 LEU 12 1HD2 LEU 12 17.214 4.362 -10.121 84 HD23 LEU 12 2HD2 LEU 12 17.861 5.582 -9.024 85 H GLN 13 H GLN 13 14.375 8.222 -12.906 86 HA GLN 13 HA GLN 13 13.473 5.892 -14.182 87 HB2 GLN 13 2HB GLN 13 12.329 8.688 -14.299 88 HB3 GLN 13 3HB GLN 13 11.485 7.225 -14.788 89 HG2 GLN 13 2HG GLN 13 11.666 6.381 -12.482 90 HG3 GLN 13 3HG GLN 13 12.434 7.897 -12.012 91 HE21 GLN 13 1HE2 GLN 13 10.721 8.182 -10.509 92 HE22 GLN 13 2HE2 GLN 13 9.182 8.771 -11.029 93 H ASN 14 H ASN 14 15.284 8.535 -15.364 94 HA ASN 14 HA ASN 14 14.695 7.771 -18.146 95 HB2 ASN 14 2HB ASN 14 15.512 9.969 -18.807 96 HB3 ASN 14 3HB ASN 14 14.250 10.142 -17.590 97 HD21 ASN 14 1HD2 ASN 14 14.664 11.591 -16.104 98 HD22 ASN 14 2HD2 ASN 14 16.228 12.054 -15.533 99 H LEU 15 H LEU 15 17.117 7.912 -15.702 100 HA LEU 15 HA LEU 15 19.263 7.166 -15.611 101 HB2 LEU 15 2HB LEU 15 18.862 5.973 -18.337 102 HB3 LEU 15 3HB LEU 15 19.945 5.433 -17.056 103 HG LEU 15 HG LEU 15 16.950 5.315 -16.790 104 HD11 LEU 15 1HD1 LEU 15 18.415 3.897 -18.668 105 HD12 LEU 15 2HD1 LEU 15 16.811 3.494 -18.056 106 HD13 LEU 15 3HD1 LEU 15 18.243 2.781 -17.314 107 HD21 LEU 15 3HD2 LEU 15 17.335 3.945 -14.955 108 HD22 LEU 15 1HD2 LEU 15 18.601 5.163 -14.811 109 HD23 LEU 15 2HD2 LEU 15 18.984 3.568 -15.456 110 H LEU 16 H LEU 16 21.420 7.435 -16.593 111 HA LEU 16 HA LEU 16 21.455 9.618 -18.572 112 HB2 LEU 16 2HB LEU 16 23.410 10.532 -17.429 113 HB3 LEU 16 3HB LEU 16 21.997 10.483 -16.377 114 HG LEU 16 HG LEU 16 23.866 8.194 -16.198 115 HD11 LEU 16 1HD1 LEU 16 25.673 9.480 -15.955 116 HD12 LEU 16 2HD1 LEU 16 24.965 9.961 -14.414 117 HD13 LEU 16 3HD1 LEU 16 24.718 10.959 -15.845 118 HD21 LEU 16 3HD2 LEU 16 21.873 8.319 -14.809 119 HD22 LEU 16 1HD2 LEU 16 22.395 9.881 -14.176 120 HD23 LEU 16 2HD2 LEU 16 23.329 8.428 -13.819 121 H VAL 17 H VAL 17 21.562 7.273 -19.695 122 HA VAL 17 HA VAL 17 23.907 5.809 -19.782 123 HB VAL 17 HB VAL 17 23.265 5.316 -22.195 124 HG11 VAL 17 1HG1 VAL 17 21.909 3.687 -21.437 125 HG12 VAL 17 2HG1 VAL 17 22.334 4.331 -19.850 126 HG13 VAL 17 3HG1 VAL 17 20.828 4.821 -20.628 127 HG21 VAL 17 3HG2 VAL 17 21.630 6.435 -23.237 128 HG22 VAL 17 1HG2 VAL 17 20.599 6.438 -21.805 129 HG23 VAL 17 2HG2 VAL 17 21.858 7.660 -21.988 130 H TYR 18 H TYR 18 23.163 8.898 -21.241 131 HA TYR 18 HA TYR 18 25.963 9.104 -22.102 132 HB2 TYR 18 2HB TYR 18 23.633 10.117 -23.738 133 HB3 TYR 18 3HB TYR 18 25.335 10.157 -24.181 134 HD1 TYR 18 HD1 TYR 18 26.496 7.750 -24.160 135 HD2 TYR 18 HD2 TYR 18 22.328 8.453 -24.654 136 HE1 TYR 18 HE1 TYR 18 26.263 5.563 -25.262 137 HE2 TYR 18 HE2 TYR 18 22.085 6.268 -25.756 138 HH TYR 18 HH TYR 18 23.827 3.890 -25.533 139 H VAL 19 H VAL 19 22.954 10.779 -21.314 140 HA VAL 19 HA VAL 19 24.467 12.856 -19.966 141 HB VAL 19 HB VAL 19 23.197 14.683 -21.095 142 HG11 VAL 19 1HG1 VAL 19 25.551 13.969 -21.683 143 HG12 VAL 19 2HG1 VAL 19 24.851 13.127 -23.067 144 HG13 VAL 19 3HG1 VAL 19 24.684 14.877 -22.920 145 HG21 VAL 19 3HG2 VAL 19 22.429 12.460 -22.983 146 HG22 VAL 19 1HG2 VAL 19 21.346 13.442 -21.998 147 HG23 VAL 19 2HG2 VAL 19 22.234 14.177 -23.332 148 H ASN 20 H ASN 20 23.484 13.393 -18.127 149 HA ASN 20 HA ASN 20 21.241 12.170 -17.129 150 HB2 ASN 20 2HB ASN 20 22.892 13.473 -15.793 151 HB3 ASN 20 3HB ASN 20 22.168 14.958 -16.405 152 HD21 ASN 20 1HD2 ASN 20 20.937 15.872 -14.944 153 HD22 ASN 20 2HD2 ASN 20 19.894 15.060 -13.831 154 H TRP 21 H TRP 21 21.442 15.045 -19.114 155 HA TRP 21 HA TRP 21 18.770 15.922 -18.732 156 HB2 TRP 21 2HB TRP 21 20.330 17.509 -19.576 157 HB3 TRP 21 3HB TRP 21 20.807 16.443 -20.895 158 HD1 TRP 21 HD1 TRP 21 17.400 17.969 -19.782 159 HE1 TRP 21 HE1 TRP 21 16.236 18.895 -21.883 160 HE3 TRP 21 HE3 TRP 21 20.947 16.780 -23.266 161 HZ2 TRP 21 HZ2 TRP 21 16.752 19.094 -24.650 162 HZ3 TRP 21 HZ3 TRP 21 20.535 17.373 -25.619 163 HH2 TRP 21 HH2 TRP 21 18.480 18.506 -26.294 164 H SER 22 H SER 22 20.009 14.905 -21.887 165 HA SER 22 HA SER 22 18.901 13.889 -23.621 166 HB2 SER 22 2HB SER 22 18.009 11.555 -22.842 167 HB3 SER 22 3HB SER 22 19.739 11.891 -22.771 168 HG SER 22 HG SER 22 18.038 11.304 -20.767 169 H SER 23 H SER 23 17.296 15.845 -22.363 170 HA SER 23 HA SER 23 15.152 16.608 -22.413 171 HB2 SER 23 2HB SER 23 15.230 15.094 -24.573 172 HB3 SER 23 3HB SER 23 14.151 14.065 -23.631 173 HG SER 23 HG SER 23 13.739 16.647 -24.630 174 H TYR 24 H TYR 24 13.865 16.746 -20.703 175 HA TYR 24 HA TYR 24 13.865 15.015 -18.567 176 HB2 TYR 24 2HB TYR 24 12.006 17.160 -19.483 177 HB3 TYR 24 3HB TYR 24 11.481 16.118 -18.165 178 HD1 TYR 24 HD2 TYR 24 14.963 17.204 -18.803 179 HD2 TYR 24 HD1 TYR 24 11.489 17.686 -16.393 180 HE1 TYR 24 HE2 TYR 24 16.260 18.562 -17.216 181 HE2 TYR 24 HE1 TYR 24 12.777 19.047 -14.799 182 HH TYR 24 HH TYR 24 16.231 19.345 -15.008 183 HA PRO 25 HA PRO 25 11.411 11.547 -19.704 184 HB2 PRO 25 2HB PRO 25 10.575 10.760 -17.244 185 HB3 PRO 25 3HB PRO 25 12.233 10.532 -17.813 186 HG2 PRO 25 2HG PRO 25 11.119 12.661 -16.027 187 HG3 PRO 25 3HG PRO 25 12.634 11.752 -15.875 188 HD2 PRO 25 2HD PRO 25 12.542 14.273 -16.858 189 HD3 PRO 25 3HD PRO 25 13.731 13.075 -17.410 190 H LYS 26 H LYS 26 9.354 11.167 -20.315 191 HA LYS 26 HA LYS 26 7.343 13.145 -19.643 192 HB2 LYS 26 2HB LYS 26 6.590 12.709 -21.698 193 HB3 LYS 26 3HB LYS 26 7.907 11.561 -21.895 194 HG2 LYS 26 2HG LYS 26 6.440 9.814 -20.889 195 HG3 LYS 26 3HG LYS 26 5.120 10.986 -20.918 196 HD2 LYS 26 2HD LYS 26 4.756 9.905 -22.907 197 HD3 LYS 26 3HD LYS 26 5.814 11.210 -23.447 198 HE2 LYS 26 2HE LYS 26 7.744 9.675 -23.231 199 HE3 LYS 26 3HE LYS 26 6.629 8.378 -22.803 200 HZ1 LYS 26 3HZ LYS 26 7.194 8.269 -25.132 201 HZ2 LYS 26 1HZ LYS 26 6.680 9.863 -25.375 202 HZ3 LYS 26 2HZ LYS 26 5.557 8.666 -24.967 203 H TYR 27 H TYR 27 5.164 12.523 -19.003 204 HA TYR 27 HA TYR 27 5.032 11.088 -16.668 205 HB2 TYR 27 2HB TYR 27 3.084 12.208 -16.812 206 HB3 TYR 27 3HB TYR 27 3.094 12.177 -18.572 207 HD1 TYR 27 HD2 TYR 27 2.323 10.089 -15.592 208 HD2 TYR 27 HD1 TYR 27 1.646 10.758 -19.739 209 HE1 TYR 27 HE2 TYR 27 0.535 8.400 -15.566 210 HE2 TYR 27 HE1 TYR 27 -0.145 9.073 -19.724 211 HH TYR 27 HH TYR 27 -1.289 7.611 -18.513 212 H GLU 28 H GLU 28 5.286 9.014 -16.210 213 HA GLU 28 HA GLU 28 4.538 7.019 -18.246 214 HB2 GLU 28 2HB GLU 28 7.042 7.419 -16.830 215 HB3 GLU 28 3HB GLU 28 6.407 5.800 -16.576 216 HG2 GLU 28 2HG GLU 28 7.370 5.262 -18.497 217 HG3 GLU 28 3HG GLU 28 6.089 6.183 -19.282 218 HA PRO 29 HA PRO 29 1.761 5.930 -14.876 219 HB2 PRO 29 2HB PRO 29 0.244 4.248 -16.372 220 HB3 PRO 29 3HB PRO 29 0.057 6.005 -16.414 221 HG2 PRO 29 2HG PRO 29 1.517 4.210 -18.314 222 HG3 PRO 29 3HG PRO 29 0.456 5.586 -18.667 223 HD2 PRO 29 2HD PRO 29 3.156 5.775 -18.727 224 HD3 PRO 29 3HD PRO 29 2.113 7.132 -18.252 225 H GLY 30 H GLY 30 2.179 4.421 -13.391 226 HA2 GLY 30 2HA GLY 30 2.271 2.102 -12.752 227 HA3 GLY 30 3HA GLY 30 3.031 1.751 -14.296 228 H LYS 31 H LYS 31 4.086 4.534 -12.550 229 HA LYS 31 HA LYS 31 6.349 3.081 -11.397 230 HB2 LYS 31 2HB LYS 31 6.550 4.516 -13.791 231 HB3 LYS 31 3HB LYS 31 7.234 5.579 -12.568 232 HG2 LYS 31 2HG LYS 31 8.336 3.107 -11.994 233 HG3 LYS 31 3HG LYS 31 8.324 3.178 -13.757 234 HD2 LYS 31 2HD LYS 31 9.188 5.694 -13.017 235 HD3 LYS 31 3HD LYS 31 9.962 4.632 -11.839 236 HE2 LYS 31 2HE LYS 31 11.516 4.581 -13.519 237 HE3 LYS 31 3HE LYS 31 10.514 3.206 -13.980 238 HZ1 LYS 31 3HZ LYS 31 11.134 4.917 -15.762 239 HZ2 LYS 31 1HZ LYS 31 9.959 5.901 -15.046 240 HZ3 LYS 31 2HZ LYS 31 9.525 4.397 -15.685 241 H GLU 32 H GLU 32 6.486 3.631 -9.332 242 HA GLU 32 HA GLU 32 5.047 5.557 -8.023 243 HB2 GLU 32 2HB GLU 32 7.305 3.856 -7.402 244 HB3 GLU 32 3HB GLU 32 7.447 5.408 -6.590 245 HG2 GLU 32 2HG GLU 32 6.269 3.553 -5.335 246 HG3 GLU 32 3HG GLU 32 5.448 5.110 -5.417 247 H TYR 33 H TYR 33 5.311 7.677 -7.451 248 HA TYR 33 HA TYR 33 7.621 9.089 -8.610 249 HB2 TYR 33 2HB TYR 33 4.707 9.860 -8.685 250 HB3 TYR 33 3HB TYR 33 5.997 11.026 -8.959 251 HD1 TYR 33 HD1 TYR 33 7.735 10.363 -10.809 252 HD2 TYR 33 HD2 TYR 33 3.825 8.714 -10.495 253 HE1 TYR 33 HE1 TYR 33 7.823 9.715 -13.180 254 HE2 TYR 33 HE2 TYR 33 3.904 8.061 -12.865 255 HH TYR 33 HH TYR 33 6.424 7.676 -14.584 256 H ASN 34 H ASN 34 8.812 9.717 -6.929 257 HA ASN 34 HA ASN 34 7.666 10.310 -4.364 258 HB2 ASN 34 2HB ASN 34 10.082 9.389 -5.089 259 HB3 ASN 34 3HB ASN 34 10.466 11.103 -4.963 260 HD21 ASN 34 1HD2 ASN 34 10.101 8.218 -3.303 261 HD22 ASN 34 2HD2 ASN 34 10.130 8.841 -1.692 262 H GLN 35 H GLN 35 7.954 12.341 -3.232 263 HA GLN 35 HA GLN 35 6.924 14.536 -4.548 264 HB2 GLN 35 2HB GLN 35 7.324 15.777 -2.591 265 HB3 GLN 35 3HB GLN 35 7.126 14.121 -2.034 266 HG2 GLN 35 2HG GLN 35 9.556 13.879 -1.901 267 HG3 GLN 35 3HG GLN 35 9.746 15.546 -2.441 268 HE21 GLN 35 1HE2 GLN 35 7.844 13.787 -0.010 269 HE22 GLN 35 2HE2 GLN 35 8.179 14.877 1.287 270 H GLY 36 H GLY 36 7.723 16.210 -5.699 271 HA2 GLY 36 2HA GLY 36 9.403 17.735 -6.384 272 HA3 GLY 36 3HA GLY 36 10.623 16.617 -5.792 273 H ASP 37 H ASP 37 9.028 14.422 -7.220 274 HA ASP 37 HA ASP 37 10.622 14.242 -9.506 275 HB2 ASP 37 2HB ASP 37 8.047 12.889 -8.719 276 HB3 ASP 37 3HB ASP 37 8.859 12.525 -10.239 277 H ILE 38 H ILE 38 10.455 14.996 -11.529 278 HA ILE 38 HA ILE 38 7.969 16.395 -12.272 279 HB ILE 38 HB ILE 38 10.790 17.144 -13.048 280 HG12 ILE 38 2HG1 ILE 38 8.783 18.544 -11.268 281 HG13 ILE 38 3HG1 ILE 38 10.238 17.719 -10.723 282 HG21 ILE 38 1HG2 ILE 38 9.757 19.088 -14.128 283 HG22 ILE 38 2HG2 ILE 38 9.217 17.574 -14.850 284 HG23 ILE 38 3HG2 ILE 38 8.160 18.447 -13.741 285 HD11 ILE 38 3HD1 ILE 38 9.901 20.379 -11.905 286 HD12 ILE 38 1HD1 ILE 38 11.115 19.776 -10.776 287 HD13 ILE 38 2HD1 ILE 38 11.283 19.460 -12.504 288 H VAL 39 H VAL 39 7.073 15.913 -14.197 289 HA VAL 39 HA VAL 39 8.633 14.372 -16.145 290 HB VAL 39 HB VAL 39 6.958 12.719 -16.452 291 HG11 VAL 39 1HG1 VAL 39 6.805 11.675 -14.208 292 HG12 VAL 39 2HG1 VAL 39 8.429 12.238 -14.607 293 HG13 VAL 39 3HG1 VAL 39 7.415 13.174 -13.507 294 HG21 VAL 39 3HG2 VAL 39 4.886 13.683 -16.320 295 HG22 VAL 39 1HG2 VAL 39 4.931 12.849 -14.765 296 HG23 VAL 39 2HG2 VAL 39 5.274 14.577 -14.850 297 H GLU 40 H GLU 40 7.848 14.480 -18.299 298 HA GLU 40 HA GLU 40 6.376 16.934 -18.835 299 HB2 GLU 40 2HB GLU 40 8.435 16.613 -20.063 300 HB3 GLU 40 3HB GLU 40 7.887 15.050 -20.650 301 HG2 GLU 40 2HG GLU 40 6.040 16.220 -21.840 302 HG3 GLU 40 3HG GLU 40 6.776 17.750 -21.365 303 H TYR 41 H TYR 41 4.328 17.009 -19.502 304 HA TYR 41 HA TYR 41 3.094 14.571 -20.581 305 HB2 TYR 41 2HB TYR 41 2.486 14.753 -18.202 306 HB3 TYR 41 3HB TYR 41 1.857 16.372 -18.487 307 HD1 TYR 41 HD1 TYR 41 1.355 12.794 -19.311 308 HD2 TYR 41 HD2 TYR 41 -0.338 16.697 -19.298 309 HE1 TYR 41 HE1 TYR 41 -0.842 11.837 -19.859 310 HE2 TYR 41 HE2 TYR 41 -2.540 15.750 -19.845 311 HH TYR 41 HH TYR 41 -3.017 12.247 -20.124 312 H ASN 42 H ASN 42 2.459 15.039 -22.573 313 HA ASN 42 HA ASN 42 1.673 16.161 -24.392 314 HB2 ASN 42 2HB ASN 42 -0.307 16.129 -22.597 315 HB3 ASN 42 3HB ASN 42 -0.079 17.873 -22.700 316 HD21 ASN 42 1HD2 ASN 42 -2.404 16.506 -23.484 317 HD22 ASN 42 2HD2 ASN 42 -2.599 16.712 -25.189 318 H GLY 43 H GLY 43 4.043 17.208 -23.434 319 HA2 GLY 43 2HA GLY 43 5.372 19.036 -23.904 320 HA3 GLY 43 3HA GLY 43 3.952 19.843 -24.554 321 H LYS 44 H LYS 44 3.625 18.610 -21.382 322 HA LYS 44 HA LYS 44 3.906 21.338 -20.307 323 HB2 LYS 44 2HB LYS 44 1.668 19.804 -20.297 324 HB3 LYS 44 3HB LYS 44 2.376 19.345 -18.754 325 HG2 LYS 44 2HG LYS 44 1.775 21.261 -17.806 326 HG3 LYS 44 3HG LYS 44 2.415 22.213 -19.148 327 HD2 LYS 44 2HD LYS 44 -0.249 20.797 -19.155 328 HD3 LYS 44 3HD LYS 44 -0.021 22.513 -18.813 329 HE2 LYS 44 2HE LYS 44 1.336 21.962 -21.225 330 HE3 LYS 44 3HE LYS 44 -0.243 21.186 -21.338 331 HZ1 LYS 44 3HZ LYS 44 -0.102 23.567 -22.108 332 HZ2 LYS 44 1HZ LYS 44 0.078 24.002 -20.483 333 HZ3 LYS 44 2HZ LYS 44 -1.331 23.221 -20.998 334 H LEU 45 H LEU 45 4.050 21.035 -17.699 335 HA LEU 45 HA LEU 45 6.001 18.981 -17.027 336 HB2 LEU 45 2HB LEU 45 6.580 21.881 -17.241 337 HB3 LEU 45 3HB LEU 45 7.275 21.016 -15.873 338 HG LEU 45 HG LEU 45 7.720 20.376 -18.788 339 HD11 LEU 45 1HD1 LEU 45 9.175 22.068 -18.626 340 HD12 LEU 45 2HD1 LEU 45 10.143 20.948 -17.668 341 HD13 LEU 45 3HD1 LEU 45 9.083 22.107 -16.865 342 HD21 LEU 45 3HD2 LEU 45 9.629 19.033 -17.442 343 HD22 LEU 45 1HD2 LEU 45 8.092 18.324 -17.936 344 HD23 LEU 45 2HD2 LEU 45 8.297 18.924 -16.289 345 H TYR 46 H TYR 46 5.120 18.076 -15.292 346 HA TYR 46 HA TYR 46 3.920 19.831 -13.251 347 HB2 TYR 46 2HB TYR 46 3.271 16.941 -13.869 348 HB3 TYR 46 3HB TYR 46 2.533 17.903 -12.594 349 HD1 TYR 46 HD2 TYR 46 0.977 19.722 -13.151 350 HD2 TYR 46 HD1 TYR 46 2.626 17.218 -16.171 351 HE1 TYR 46 HE2 TYR 46 -0.743 20.501 -14.728 352 HE2 TYR 46 HE1 TYR 46 0.911 17.991 -17.756 353 HH TYR 46 HH TYR 46 -1.678 20.178 -16.739 354 H LYS 47 H LYS 47 4.192 19.209 -11.030 355 HA LYS 47 HA LYS 47 6.481 17.430 -10.530 356 HB2 LYS 47 2HB LYS 47 7.365 19.668 -10.431 357 HB3 LYS 47 3HB LYS 47 6.041 20.197 -9.402 358 HG2 LYS 47 2HG LYS 47 6.965 19.333 -7.531 359 HG3 LYS 47 3HG LYS 47 7.680 17.962 -8.384 360 HD2 LYS 47 2HD LYS 47 9.608 19.076 -8.030 361 HD3 LYS 47 3HD LYS 47 9.102 20.005 -9.444 362 HE2 LYS 47 2HE LYS 47 7.917 21.549 -7.803 363 HE3 LYS 47 3HE LYS 47 8.829 20.727 -6.538 364 HZ1 LYS 47 3HZ LYS 47 9.689 22.744 -8.351 365 HZ2 LYS 47 1HZ LYS 47 10.686 21.381 -8.448 366 HZ3 LYS 47 2HZ LYS 47 10.454 22.155 -6.963 367 H ALA 48 H ALA 48 5.859 15.836 -9.242 368 HA ALA 48 HA ALA 48 3.432 15.759 -7.843 369 HB1 ALA 48 1HB ALA 48 5.740 14.069 -6.992 370 HB2 ALA 48 2HB ALA 48 4.037 13.644 -7.161 371 HB3 ALA 48 3HB ALA 48 5.041 13.850 -8.596 372 H LYS 49 H LYS 49 2.874 16.912 -6.126 373 HA LYS 49 HA LYS 49 4.615 18.389 -4.518 374 HB2 LYS 49 2HB LYS 49 1.910 17.382 -3.640 375 HB3 LYS 49 3HB LYS 49 2.733 18.847 -3.122 376 HG2 LYS 49 2HG LYS 49 2.583 19.520 -5.617 377 HG3 LYS 49 3HG LYS 49 1.333 18.277 -5.697 378 HD2 LYS 49 2HD LYS 49 -0.150 19.543 -4.588 379 HD3 LYS 49 3HD LYS 49 1.052 20.083 -3.414 380 HE2 LYS 49 2HE LYS 49 1.949 21.563 -5.303 381 HE3 LYS 49 3HE LYS 49 0.428 21.217 -6.124 382 HZ1 LYS 49 3HZ LYS 49 -0.790 22.239 -4.401 383 HZ2 LYS 49 1HZ LYS 49 0.478 23.301 -4.759 384 HZ3 LYS 49 2HZ LYS 49 0.555 22.326 -3.379 385 H TYR 50 H TYR 50 3.062 15.253 -3.898 386 HA TYR 50 HA TYR 50 5.220 14.615 -2.033 387 HB2 TYR 50 2HB TYR 50 3.788 13.968 -0.260 388 HB3 TYR 50 3HB TYR 50 3.213 15.550 -0.776 389 HD1 TYR 50 HD1 TYR 50 1.398 15.307 -2.812 390 HD2 TYR 50 HD2 TYR 50 2.139 12.454 0.256 391 HE1 TYR 50 HE1 TYR 50 -0.861 14.387 -3.131 392 HE2 TYR 50 HE2 TYR 50 -0.116 11.524 -0.056 393 HH TYR 50 HH TYR 50 -2.367 12.419 -0.957 394 H TRP 51 H TRP 51 4.894 12.229 -1.270 395 HA TRP 51 HA TRP 51 5.207 10.550 -3.431 396 HB2 TRP 51 2HB TRP 51 5.466 10.250 -0.753 397 HB3 TRP 51 3HB TRP 51 4.008 9.301 -1.032 398 HD1 TRP 51 HD1 TRP 51 7.665 9.477 -2.302 399 HE1 TRP 51 HE1 TRP 51 8.385 7.099 -2.973 400 HE3 TRP 51 HE3 TRP 51 3.231 7.044 -1.556 401 HZ2 TRP 51 HZ2 TRP 51 7.227 4.532 -3.163 402 HZ3 TRP 51 HZ3 TRP 51 3.121 4.627 -2.007 403 HH2 TRP 51 HH2 TRP 51 5.079 3.399 -2.794 404 H THR 52 H THR 52 3.808 10.147 -5.006 405 HA THR 52 HA THR 52 1.236 9.007 -4.416 406 HB THR 52 HB THR 52 1.243 11.571 -6.013 407 HG1 THR 52 HG1 THR 52 1.478 12.353 -4.015 408 HG21 THR 52 3HG2 THR 52 -0.741 9.500 -5.360 409 HG22 THR 52 1HG2 THR 52 -0.692 10.639 -6.705 410 HG23 THR 52 2HG2 THR 52 -1.294 11.158 -5.129 411 H THR 53 H THR 53 0.233 8.056 -6.250 412 HA THR 53 HA THR 53 1.909 7.965 -8.670 413 HB THR 53 HB THR 53 0.498 5.473 -8.222 414 HG1 THR 53 HG1 THR 53 1.333 4.880 -6.325 415 HG21 THR 53 3HG2 THR 53 2.979 4.690 -8.385 416 HG22 THR 53 1HG2 THR 53 3.290 6.370 -8.820 417 HG23 THR 53 2HG2 THR 53 2.195 5.393 -9.798 418 H SER 54 H SER 54 0.722 8.932 -10.190 419 HA SER 54 HA SER 54 -1.586 7.799 -11.259 420 HB2 SER 54 2HB SER 54 -3.120 8.478 -9.732 421 HB3 SER 54 3HB SER 54 -2.062 9.727 -9.079 422 HG SER 54 HG SER 54 -4.058 9.947 -10.889 423 HA PRO 55 HA PRO 55 -0.435 10.473 -14.545 424 HB2 PRO 55 2HB PRO 55 -2.761 10.599 -15.939 425 HB3 PRO 55 3HB PRO 55 -1.740 9.157 -15.904 426 HG2 PRO 55 2HG PRO 55 -4.215 9.763 -14.334 427 HG3 PRO 55 3HG PRO 55 -3.741 8.254 -15.137 428 HD2 PRO 55 2HD PRO 55 -3.457 8.638 -12.471 429 HD3 PRO 55 3HD PRO 55 -2.339 7.632 -13.416 430 HA PRO 56 HA PRO 56 -1.554 14.606 -13.499 431 HB2 PRO 56 2HB PRO 56 -0.888 15.857 -15.815 432 HB3 PRO 56 3HB PRO 56 0.315 15.256 -14.666 433 HG2 PRO 56 2HG PRO 56 -0.675 14.007 -17.202 434 HG3 PRO 56 3HG PRO 56 0.984 14.124 -16.585 435 HD2 PRO 56 2HD PRO 56 -0.498 11.869 -16.361 436 HD3 PRO 56 3HD PRO 56 0.709 12.343 -15.149 437 H SER 57 H SER 57 -3.402 15.736 -13.497 438 HA SER 57 HA SER 57 -4.961 16.384 -15.717 439 HB2 SER 57 2HB SER 57 -5.409 13.708 -14.740 440 HB3 SER 57 3HB SER 57 -6.863 14.683 -14.521 441 HG SER 57 HG SER 57 -5.584 13.882 -16.859 442 H ASP 58 H ASP 58 -5.961 15.152 -12.529 443 HA ASP 58 HA ASP 58 -6.525 17.895 -11.674 444 HB2 ASP 58 2HB ASP 58 -8.516 15.668 -11.931 445 HB3 ASP 58 3HB ASP 58 -8.718 16.879 -10.668 446 H ASP 59 H ASP 59 -5.540 18.198 -9.801 447 HA ASP 59 HA ASP 59 -5.188 15.896 -7.999 448 HB2 ASP 59 2HB ASP 59 -3.413 17.606 -7.002 449 HB3 ASP 59 3HB ASP 59 -3.026 16.564 -8.369 450 HA PRO 60 HA PRO 60 -8.230 18.601 -5.842 451 HB2 PRO 60 2HB PRO 60 -9.610 16.535 -4.748 452 HB3 PRO 60 3HB PRO 60 -9.924 17.144 -6.378 453 HG2 PRO 60 2HG PRO 60 -8.324 14.763 -5.522 454 HG3 PRO 60 3HG PRO 60 -9.481 14.913 -6.858 455 HD2 PRO 60 2HD PRO 60 -6.801 15.019 -7.231 456 HD3 PRO 60 3HD PRO 60 -7.943 15.929 -8.241 457 H TYR 61 H TYR 61 -5.893 16.288 -4.924 458 HA TYR 61 HA TYR 61 -6.165 17.052 -2.091 459 HB2 TYR 61 2HB TYR 61 -4.480 14.915 -2.038 460 HB3 TYR 61 3HB TYR 61 -6.225 14.807 -1.831 461 HD1 TYR 61 HD2 TYR 61 -3.660 14.815 -4.548 462 HD2 TYR 61 HD1 TYR 61 -7.401 13.333 -3.166 463 HE1 TYR 61 HE2 TYR 61 -3.796 13.342 -6.514 464 HE2 TYR 61 HE1 TYR 61 -7.547 11.855 -5.128 465 HH TYR 61 HH TYR 61 -6.057 10.814 -6.762 466 H GLY 62 H GLY 62 -4.409 17.679 -4.817 467 HA2 GLY 62 2HA GLY 62 -2.543 19.042 -5.038 468 HA3 GLY 62 3HA GLY 62 -2.318 18.966 -3.297 469 H SER 63 H SER 63 -2.401 16.457 -5.823 470 HA SER 63 HA SER 63 0.012 15.290 -4.675 471 HB2 SER 63 2HB SER 63 -0.493 13.332 -5.967 472 HB3 SER 63 3HB SER 63 -2.007 13.890 -5.254 473 HG SER 63 HG SER 63 -1.618 13.400 -7.748 474 H TRP 64 H TRP 64 -0.838 17.408 -7.145 475 HA TRP 64 HA TRP 64 1.821 17.115 -8.346 476 HB2 TRP 64 2HB TRP 64 -0.815 17.072 -9.779 477 HB3 TRP 64 3HB TRP 64 0.614 17.717 -10.582 478 HD1 TRP 64 HD1 TRP 64 -1.121 14.509 -9.817 479 HE1 TRP 64 HE1 TRP 64 0.305 12.521 -10.615 480 HE3 TRP 64 HE3 TRP 64 3.253 16.978 -10.768 481 HZ2 TRP 64 HZ2 TRP 64 2.937 12.060 -11.526 482 HZ3 TRP 64 HZ3 TRP 64 5.177 15.691 -11.600 483 HH2 TRP 64 HH2 TRP 64 5.020 13.283 -11.970 484 H GLU 65 H GLU 65 2.509 19.045 -9.548 485 HA GLU 65 HA GLU 65 1.044 21.495 -8.972 486 HB2 GLU 65 2HB GLU 65 2.696 20.909 -7.066 487 HB3 GLU 65 3HB GLU 65 3.948 21.358 -8.215 488 HG2 GLU 65 2HG GLU 65 2.474 23.526 -8.456 489 HG3 GLU 65 3HG GLU 65 1.930 23.051 -6.849 490 H TYR 66 H TYR 66 0.846 22.266 -10.977 491 HA TYR 66 HA TYR 66 2.697 21.803 -13.065 492 HB2 TYR 66 2HB TYR 66 0.485 22.225 -13.746 493 HB3 TYR 66 3HB TYR 66 0.354 23.663 -12.740 494 HD1 TYR 66 HD1 TYR 66 1.291 25.787 -13.474 495 HD2 TYR 66 HD2 TYR 66 1.572 22.311 -15.914 496 HE1 TYR 66 HE1 TYR 66 1.901 27.193 -15.397 497 HE2 TYR 66 HE2 TYR 66 2.185 23.708 -17.843 498 HH TYR 66 HH TYR 66 1.880 26.077 -18.570 499 H LEU 67 H LEU 67 4.675 22.625 -13.149 500 HA LEU 67 HA LEU 67 5.230 25.219 -11.928 501 HB2 LEU 67 2HB LEU 67 7.244 23.387 -13.191 502 HB3 LEU 67 3HB LEU 67 7.509 24.641 -11.981 503 HG LEU 67 HG LEU 67 6.004 22.082 -11.453 504 HD11 LEU 67 1HD1 LEU 67 8.306 21.872 -10.048 505 HD12 LEU 67 2HD1 LEU 67 8.881 22.670 -11.511 506 HD13 LEU 67 3HD1 LEU 67 8.030 21.130 -11.624 507 HD21 LEU 67 3HD2 LEU 67 5.491 22.998 -9.500 508 HD22 LEU 67 1HD2 LEU 67 6.241 24.507 -10.020 509 HD23 LEU 67 2HD2 LEU 67 7.197 23.297 -9.166 510 H GLY 68 H GLY 68 4.893 23.715 -15.023 511 HA2 GLY 68 2HA GLY 68 4.620 26.020 -16.489 512 HA3 GLY 68 3HA GLY 68 6.345 25.681 -16.517 513 H GLU 69 H GLU 69 5.899 25.549 -18.870 514 HA GLU 69 HA GLU 69 4.873 22.886 -19.606 515 HB2 GLU 69 2HB GLU 69 4.368 25.520 -20.706 516 HB3 GLU 69 3HB GLU 69 4.996 24.429 -21.934 517 HG2 GLU 69 2HG GLU 69 3.230 22.826 -21.423 518 HG3 GLU 69 3HG GLU 69 2.603 23.910 -20.183 519 H ALA 70 H ALA 70 6.017 21.669 -21.137 520 HA ALA 70 HA ALA 70 8.765 21.618 -20.934 521 HB1 ALA 70 1HB ALA 70 6.915 20.534 -23.033 522 HB2 ALA 70 2HB ALA 70 8.657 20.270 -23.101 523 HB3 ALA 70 3HB ALA 70 7.728 19.674 -21.726 524 H GLU 71 H GLU 71 6.760 23.330 -23.270 525 HA GLU 71 HA GLU 71 9.185 24.691 -24.240 526 HB2 GLU 71 2HB GLU 71 8.092 24.884 -26.455 527 HB3 GLU 71 3HB GLU 71 8.416 23.219 -25.995 528 HG2 GLU 71 2HG GLU 71 5.895 23.537 -25.055 529 HG3 GLU 71 3HG GLU 71 5.869 24.585 -26.471 530 HA PRO 72 HA PRO 72 7.241 28.492 -23.224 531 HB2 PRO 72 2HB PRO 72 8.255 30.128 -25.139 532 HB3 PRO 72 3HB PRO 72 9.219 29.516 -23.791 533 HG2 PRO 72 2HG PRO 72 9.071 28.532 -26.614 534 HG3 PRO 72 3HG PRO 72 10.494 28.754 -25.580 535 HD2 PRO 72 2HD PRO 72 9.356 26.332 -25.992 536 HD3 PRO 72 3HD PRO 72 10.150 26.767 -24.464 537 H THR 73 H THR 73 5.625 29.979 -23.856 538 HA THR 73 HA THR 73 4.140 29.181 -26.273 539 HB THR 73 HB THR 73 2.152 30.242 -25.031 540 HG1 THR 73 HG1 THR 73 2.451 30.067 -22.693 541 HG21 THR 73 3HG2 THR 73 1.637 28.073 -24.950 542 HG22 THR 73 1HG2 THR 73 2.453 27.991 -23.390 543 HG23 THR 73 2HG2 THR 73 3.340 27.622 -24.870 Start of MODEL 21 1 H1 GLY 1 H GLY 1 31.497 1.687 -7.059 2 HA2 GLY 1 2HA GLY 1 33.949 3.256 -6.548 3 HA3 GLY 1 3HA GLY 1 32.913 3.574 -7.931 4 HA PRO 2 HA PRO 2 31.683 6.252 -4.277 5 HB2 PRO 2 2HB PRO 2 32.073 8.634 -5.518 6 HB3 PRO 2 3HB PRO 2 33.347 7.798 -4.621 7 HG2 PRO 2 2HG PRO 2 32.845 7.875 -7.571 8 HG3 PRO 2 3HG PRO 2 34.380 8.006 -6.694 9 HD2 PRO 2 2HD PRO 2 33.569 5.708 -7.874 10 HD3 PRO 2 3HD PRO 2 34.549 5.727 -6.394 11 H SER 3 H SER 3 29.681 7.176 -4.050 12 HA SER 3 HA SER 3 28.005 7.254 -6.473 13 HB2 SER 3 2HB SER 3 27.640 5.833 -4.063 14 HB3 SER 3 3HB SER 3 26.453 7.138 -4.049 15 HG SER 3 HG SER 3 26.198 6.310 -6.404 16 H THR 4 H THR 4 26.373 8.881 -6.599 17 HA THR 4 HA THR 4 27.173 11.355 -5.248 18 HB THR 4 HB THR 4 25.731 12.477 -6.965 19 HG1 THR 4 HG1 THR 4 25.686 9.907 -8.195 20 HG21 THR 4 3HG2 THR 4 27.832 12.672 -7.755 21 HG22 THR 4 1HG2 THR 4 27.321 11.454 -8.923 22 HG23 THR 4 2HG2 THR 4 28.202 10.971 -7.474 23 H SER 5 H SER 5 25.359 12.902 -4.737 24 HA SER 5 HA SER 5 23.280 11.436 -3.281 25 HB2 SER 5 2HB SER 5 24.046 14.350 -3.009 26 HB3 SER 5 3HB SER 5 23.033 13.409 -1.914 27 HG SER 5 HG SER 5 24.788 12.827 -0.941 28 H MET 6 H MET 6 21.216 11.486 -3.890 29 HA MET 6 HA MET 6 20.093 13.738 -5.291 30 HB2 MET 6 2HB MET 6 21.065 12.626 -7.189 31 HB3 MET 6 3HB MET 6 20.416 11.074 -6.676 32 HG2 MET 6 2HG MET 6 18.285 11.580 -7.360 33 HG3 MET 6 3HG MET 6 18.542 13.318 -7.233 34 HE1 MET 6 3HE MET 6 19.293 14.750 -8.667 35 HE2 MET 6 1HE MET 6 20.768 14.344 -9.545 36 HE3 MET 6 2HE MET 6 19.252 14.559 -10.421 37 H GLU 7 H GLU 7 17.833 13.748 -5.279 38 HA GLU 7 HA GLU 7 16.583 11.562 -3.747 39 HB2 GLU 7 2HB GLU 7 16.439 14.511 -3.405 40 HB3 GLU 7 3HB GLU 7 14.959 13.600 -3.141 41 HG2 GLU 7 2HG GLU 7 15.640 12.979 -1.135 42 HG3 GLU 7 3HG GLU 7 17.129 12.309 -1.799 43 H ASN 8 H ASN 8 16.688 13.140 -6.659 44 HA ASN 8 HA ASN 8 13.944 12.290 -7.313 45 HB2 ASN 8 2HB ASN 8 15.402 14.660 -8.505 46 HB3 ASN 8 3HB ASN 8 13.760 14.146 -8.881 47 HD21 ASN 8 1HD2 ASN 8 14.104 16.678 -8.132 48 HD22 ASN 8 2HD2 ASN 8 13.517 16.940 -6.528 49 H LEU 9 H LEU 9 14.403 10.360 -8.258 50 HA LEU 9 HA LEU 9 16.514 10.194 -10.259 51 HB2 LEU 9 2HB LEU 9 15.965 7.792 -10.297 52 HB3 LEU 9 3HB LEU 9 16.387 8.383 -8.691 53 HG LEU 9 HG LEU 9 13.522 8.438 -9.150 54 HD11 LEU 9 1HD1 LEU 9 14.935 5.783 -9.354 55 HD12 LEU 9 2HD1 LEU 9 13.955 6.551 -10.604 56 HD13 LEU 9 3HD1 LEU 9 13.202 6.004 -9.106 57 HD21 LEU 9 3HD2 LEU 9 14.636 8.647 -6.968 58 HD22 LEU 9 1HD2 LEU 9 15.238 6.997 -7.131 59 HD23 LEU 9 2HD2 LEU 9 13.504 7.294 -7.012 60 H VAL 10 H VAL 10 13.696 11.523 -10.457 61 HA VAL 10 HA VAL 10 12.106 10.231 -12.305 62 HB VAL 10 HB VAL 10 11.558 12.392 -11.178 63 HG11 VAL 10 1HG1 VAL 10 12.538 14.374 -11.692 64 HG12 VAL 10 2HG1 VAL 10 13.897 13.314 -12.076 65 HG13 VAL 10 3HG1 VAL 10 12.851 13.912 -13.366 66 HG21 VAL 10 3HG2 VAL 10 11.244 12.466 -14.176 67 HG22 VAL 10 1HG2 VAL 10 10.258 11.490 -13.087 68 HG23 VAL 10 2HG2 VAL 10 10.211 13.250 -12.982 69 H SER 11 H SER 11 15.152 11.859 -12.784 70 HA SER 11 HA SER 11 14.923 11.876 -15.666 71 HB2 SER 11 2HB SER 11 17.116 12.875 -15.665 72 HB3 SER 11 3HB SER 11 16.176 13.632 -14.379 73 HG SER 11 HG SER 11 18.431 12.075 -14.227 74 H LEU 12 H LEU 12 16.465 9.935 -13.181 75 HA LEU 12 HA LEU 12 17.606 8.182 -15.242 76 HB2 LEU 12 2HB LEU 12 18.802 7.151 -13.271 77 HB3 LEU 12 3HB LEU 12 19.261 8.798 -13.698 78 HG LEU 12 HG LEU 12 17.196 8.864 -11.710 79 HD11 LEU 12 1HD1 LEU 12 17.930 6.648 -11.068 80 HD12 LEU 12 2HD1 LEU 12 18.443 7.827 -9.863 81 HD13 LEU 12 3HD1 LEU 12 19.608 7.190 -11.022 82 HD21 LEU 12 3HD2 LEU 12 18.522 10.739 -11.832 83 HD22 LEU 12 1HD2 LEU 12 20.007 9.810 -12.042 84 HD23 LEU 12 2HD2 LEU 12 19.243 9.904 -10.454 85 H GLN 13 H GLN 13 14.767 8.239 -14.617 86 HA GLN 13 HA GLN 13 14.217 5.866 -13.069 87 HB2 GLN 13 2HB GLN 13 12.670 8.042 -14.271 88 HB3 GLN 13 3HB GLN 13 11.885 6.474 -14.403 89 HG2 GLN 13 2HG GLN 13 12.065 6.176 -11.989 90 HG3 GLN 13 3HG GLN 13 12.860 7.742 -11.854 91 HE21 GLN 13 1HE2 GLN 13 11.037 8.071 -10.339 92 HE22 GLN 13 2HE2 GLN 13 9.552 8.676 -10.982 93 H ASN 14 H ASN 14 14.030 6.815 -16.486 94 HA ASN 14 HA ASN 14 13.362 4.104 -17.277 95 HB2 ASN 14 2HB ASN 14 13.887 6.570 -18.952 96 HB3 ASN 14 3HB ASN 14 13.286 5.031 -19.561 97 HD21 ASN 14 1HD2 ASN 14 12.408 8.042 -18.591 98 HD22 ASN 14 2HD2 ASN 14 10.747 7.753 -18.215 99 H LEU 15 H LEU 15 16.147 6.135 -17.027 100 HA LEU 15 HA LEU 15 17.797 3.948 -18.081 101 HB2 LEU 15 2HB LEU 15 17.979 6.862 -18.803 102 HB3 LEU 15 3HB LEU 15 19.319 5.740 -19.035 103 HG LEU 15 HG LEU 15 16.673 5.096 -20.253 104 HD11 LEU 15 1HD1 LEU 15 18.627 7.133 -21.300 105 HD12 LEU 15 2HD1 LEU 15 16.924 7.377 -20.915 106 HD13 LEU 15 3HD1 LEU 15 17.382 6.360 -22.282 107 HD21 LEU 15 3HD2 LEU 15 18.687 3.567 -20.255 108 HD22 LEU 15 1HD2 LEU 15 19.460 4.738 -21.324 109 HD23 LEU 15 2HD2 LEU 15 17.981 3.923 -21.833 110 H LEU 16 H LEU 16 20.261 4.748 -17.646 111 HA LEU 16 HA LEU 16 20.336 5.245 -14.755 112 HB2 LEU 16 2HB LEU 16 21.976 3.685 -16.649 113 HB3 LEU 16 3HB LEU 16 22.851 4.492 -15.349 114 HG LEU 16 HG LEU 16 20.513 2.970 -14.449 115 HD11 LEU 16 1HD1 LEU 16 21.495 0.789 -14.747 116 HD12 LEU 16 2HD1 LEU 16 22.876 1.489 -15.592 117 HD13 LEU 16 3HD1 LEU 16 21.271 1.552 -16.322 118 HD21 LEU 16 3HD2 LEU 16 23.425 2.997 -13.656 119 HD22 LEU 16 1HD2 LEU 16 22.118 2.211 -12.770 120 HD23 LEU 16 2HD2 LEU 16 22.142 3.967 -12.931 121 H VAL 17 H VAL 17 21.272 6.560 -17.806 122 HA VAL 17 HA VAL 17 23.206 8.402 -16.693 123 HB VAL 17 HB VAL 17 23.303 9.349 -18.972 124 HG11 VAL 17 1HG1 VAL 17 23.437 6.360 -19.200 125 HG12 VAL 17 2HG1 VAL 17 24.492 7.576 -19.922 126 HG13 VAL 17 3HG1 VAL 17 24.568 7.258 -18.188 127 HG21 VAL 17 3HG2 VAL 17 22.060 8.281 -20.789 128 HG22 VAL 17 1HG2 VAL 17 21.227 7.257 -19.621 129 HG23 VAL 17 2HG2 VAL 17 20.970 9.002 -19.606 130 H TYR 18 H TYR 18 22.876 10.789 -17.573 131 HA TYR 18 HA TYR 18 20.197 11.631 -16.683 132 HB2 TYR 18 2HB TYR 18 21.452 13.834 -16.162 133 HB3 TYR 18 3HB TYR 18 21.668 12.469 -15.072 134 HD1 TYR 18 HD2 TYR 18 23.230 13.919 -18.146 135 HD2 TYR 18 HD1 TYR 18 23.819 11.946 -14.422 136 HE1 TYR 18 HE2 TYR 18 25.665 14.059 -18.463 137 HE2 TYR 18 HE1 TYR 18 26.255 12.081 -14.729 138 HH TYR 18 HH TYR 18 27.835 12.270 -16.858 139 H VAL 19 H VAL 19 20.750 10.934 -19.374 140 HA VAL 19 HA VAL 19 21.409 13.064 -21.049 141 HB VAL 19 HB VAL 19 20.154 11.892 -22.807 142 HG11 VAL 19 1HG1 VAL 19 21.272 9.543 -22.300 143 HG12 VAL 19 2HG1 VAL 19 22.235 10.966 -22.706 144 HG13 VAL 19 3HG1 VAL 19 22.054 10.472 -21.022 145 HG21 VAL 19 3HG2 VAL 19 18.983 9.790 -22.271 146 HG22 VAL 19 1HG2 VAL 19 19.220 10.116 -20.554 147 HG23 VAL 19 2HG2 VAL 19 18.217 11.193 -21.526 148 H ASN 20 H ASN 20 18.583 12.505 -19.167 149 HA ASN 20 HA ASN 20 16.590 13.815 -20.536 150 HB2 ASN 20 2HB ASN 20 17.158 13.874 -17.564 151 HB3 ASN 20 3HB ASN 20 15.641 14.379 -18.303 152 HD21 ASN 20 1HD2 ASN 20 14.154 12.910 -17.942 153 HD22 ASN 20 2HD2 ASN 20 14.360 11.199 -18.060 154 H TRP 21 H TRP 21 15.736 15.977 -20.362 155 HA TRP 21 HA TRP 21 17.194 18.126 -19.253 156 HB2 TRP 21 2HB TRP 21 18.247 19.105 -21.112 157 HB3 TRP 21 3HB TRP 21 18.648 17.396 -21.247 158 HD1 TRP 21 HD1 TRP 21 17.287 20.191 -23.226 159 HE1 TRP 21 HE1 TRP 21 16.289 19.336 -25.439 160 HE3 TRP 21 HE3 TRP 21 17.157 15.188 -22.180 161 HZ2 TRP 21 HZ2 TRP 21 15.543 16.868 -26.589 162 HZ3 TRP 21 HZ3 TRP 21 16.286 13.648 -23.889 163 HH2 TRP 21 HH2 TRP 21 15.497 14.472 -26.047 164 H SER 22 H SER 22 16.498 20.166 -21.031 165 HA SER 22 HA SER 22 14.116 21.061 -20.329 166 HB2 SER 22 2HB SER 22 15.453 22.345 -21.865 167 HB3 SER 22 3HB SER 22 15.230 21.147 -23.140 168 HG SER 22 HG SER 22 13.216 21.836 -23.464 169 H SER 23 H SER 23 14.477 18.900 -23.140 170 HA SER 23 HA SER 23 11.632 18.528 -23.365 171 HB2 SER 23 2HB SER 23 13.493 16.658 -24.736 172 HB3 SER 23 3HB SER 23 12.076 17.502 -25.362 173 HG SER 23 HG SER 23 13.475 18.808 -26.215 174 H TYR 24 H TYR 24 11.882 17.862 -20.903 175 HA TYR 24 HA TYR 24 12.801 15.422 -20.062 176 HB2 TYR 24 2HB TYR 24 10.322 16.935 -19.246 177 HB3 TYR 24 3HB TYR 24 10.861 15.479 -18.418 178 HD1 TYR 24 HD1 TYR 24 13.793 15.888 -18.410 179 HD2 TYR 24 HD2 TYR 24 10.626 18.631 -17.669 180 HE1 TYR 24 HE1 TYR 24 15.298 17.239 -17.010 181 HE2 TYR 24 HE2 TYR 24 12.122 19.990 -16.269 182 HH TYR 24 HH TYR 24 14.448 19.289 -14.845 183 HA PRO 25 HA PRO 25 10.459 12.246 -21.980 184 HB2 PRO 25 2HB PRO 25 10.252 10.430 -19.973 185 HB3 PRO 25 3HB PRO 25 11.765 10.744 -20.832 186 HG2 PRO 25 2HG PRO 25 10.845 11.775 -18.176 187 HG3 PRO 25 3HG PRO 25 12.443 11.168 -18.648 188 HD2 PRO 25 2HD PRO 25 11.884 13.812 -18.470 189 HD3 PRO 25 3HD PRO 25 13.044 13.158 -19.645 190 H LYS 26 H LYS 26 8.410 11.216 -22.067 191 HA LYS 26 HA LYS 26 6.282 12.761 -20.970 192 HB2 LYS 26 2HB LYS 26 6.253 10.133 -22.463 193 HB3 LYS 26 3HB LYS 26 4.820 11.072 -22.070 194 HG2 LYS 26 2HG LYS 26 5.326 12.732 -23.589 195 HG3 LYS 26 3HG LYS 26 7.046 12.334 -23.607 196 HD2 LYS 26 2HD LYS 26 5.093 10.303 -24.578 197 HD3 LYS 26 3HD LYS 26 5.474 11.680 -25.616 198 HE2 LYS 26 2HE LYS 26 7.594 9.951 -24.367 199 HE3 LYS 26 3HE LYS 26 6.875 9.586 -25.934 200 HZ1 LYS 26 3HZ LYS 26 7.624 11.731 -26.744 201 HZ2 LYS 26 1HZ LYS 26 8.935 10.832 -26.162 202 HZ3 LYS 26 2HZ LYS 26 8.299 12.097 -25.236 203 H TYR 27 H TYR 27 4.620 12.068 -19.554 204 HA TYR 27 HA TYR 27 5.426 10.896 -17.195 205 HB2 TYR 27 2HB TYR 27 3.402 11.595 -16.561 206 HB3 TYR 27 3HB TYR 27 3.023 11.951 -18.242 207 HD1 TYR 27 HD1 TYR 27 2.756 9.405 -15.583 208 HD2 TYR 27 HD2 TYR 27 1.536 10.566 -19.490 209 HE1 TYR 27 HE1 TYR 27 1.020 7.662 -15.552 210 HE2 TYR 27 HE2 TYR 27 -0.204 8.828 -19.470 211 HH TYR 27 HH TYR 27 -0.883 6.916 -18.398 212 H GLU 28 H GLU 28 5.728 8.879 -16.489 213 HA GLU 28 HA GLU 28 4.855 6.669 -18.231 214 HB2 GLU 28 2HB GLU 28 7.412 7.299 -17.085 215 HB3 GLU 28 3HB GLU 28 6.857 5.751 -16.463 216 HG2 GLU 28 2HG GLU 28 7.067 6.484 -19.375 217 HG3 GLU 28 3HG GLU 28 8.232 5.515 -18.473 218 HA PRO 29 HA PRO 29 2.267 5.869 -14.628 219 HB2 PRO 29 2HB PRO 29 0.684 4.062 -15.893 220 HB3 PRO 29 3HB PRO 29 0.477 5.810 -16.067 221 HG2 PRO 29 2HG PRO 29 1.844 3.873 -17.895 222 HG3 PRO 29 3HG PRO 29 0.751 5.209 -18.297 223 HD2 PRO 29 2HD PRO 29 3.442 5.408 -18.527 224 HD3 PRO 29 3HD PRO 29 2.414 6.793 -18.105 225 H GLY 30 H GLY 30 2.775 4.484 -13.053 226 HA2 GLY 30 2HA GLY 30 2.901 2.198 -12.270 227 HA3 GLY 30 3HA GLY 30 3.656 1.771 -13.798 228 H LYS 31 H LYS 31 4.647 4.687 -12.241 229 HA LYS 31 HA LYS 31 6.958 3.375 -11.018 230 HB2 LYS 31 2HB LYS 31 7.060 4.770 -13.494 231 HB3 LYS 31 3HB LYS 31 7.875 5.764 -12.293 232 HG2 LYS 31 2HG LYS 31 8.883 3.272 -11.774 233 HG3 LYS 31 3HG LYS 31 8.702 3.258 -13.530 234 HD2 LYS 31 2HD LYS 31 9.791 5.708 -13.155 235 HD3 LYS 31 3HD LYS 31 10.529 4.814 -11.823 236 HE2 LYS 31 2HE LYS 31 12.033 4.474 -13.549 237 HE3 LYS 31 3HE LYS 31 11.031 3.026 -13.628 238 HZ1 LYS 31 3HZ LYS 31 10.419 5.406 -15.267 239 HZ2 LYS 31 1HZ LYS 31 9.924 3.805 -15.502 240 HZ3 LYS 31 2HZ LYS 31 11.531 4.244 -15.791 241 H GLU 32 H GLU 32 7.019 4.048 -8.986 242 HA GLU 32 HA GLU 32 5.569 6.074 -7.842 243 HB2 GLU 32 2HB GLU 32 6.911 5.836 -5.908 244 HB3 GLU 32 3HB GLU 32 6.902 4.256 -6.678 245 HG2 GLU 32 2HG GLU 32 9.098 5.340 -7.810 246 HG3 GLU 32 3HG GLU 32 9.115 6.132 -6.234 247 H TYR 33 H TYR 33 5.755 8.230 -7.579 248 HA TYR 33 HA TYR 33 8.145 9.529 -8.713 249 HB2 TYR 33 2HB TYR 33 5.244 10.340 -8.896 250 HB3 TYR 33 3HB TYR 33 6.565 11.445 -9.260 251 HD1 TYR 33 HD2 TYR 33 8.303 10.564 -11.023 252 HD2 TYR 33 HD1 TYR 33 4.342 9.066 -10.605 253 HE1 TYR 33 HE2 TYR 33 8.391 9.706 -13.325 254 HE2 TYR 33 HE1 TYR 33 4.421 8.202 -12.907 255 HH TYR 33 HH TYR 33 7.279 7.940 -14.675 256 H ASN 34 H ASN 34 9.303 10.238 -7.038 257 HA ASN 34 HA ASN 34 8.092 11.058 -4.564 258 HB2 ASN 34 2HB ASN 34 10.961 11.588 -5.276 259 HB3 ASN 34 3HB ASN 34 10.262 11.199 -3.707 260 HD21 ASN 34 1HD2 ASN 34 11.296 9.933 -6.781 261 HD22 ASN 34 2HD2 ASN 34 11.361 8.275 -6.300 262 H GLN 35 H GLN 35 8.970 13.198 -3.573 263 HA GLN 35 HA GLN 35 7.831 15.328 -5.013 264 HB2 GLN 35 2HB GLN 35 8.467 16.717 -3.202 265 HB3 GLN 35 3HB GLN 35 8.111 15.144 -2.501 266 HG2 GLN 35 2HG GLN 35 10.479 14.639 -2.370 267 HG3 GLN 35 3HG GLN 35 10.864 16.181 -3.134 268 HE21 GLN 35 1HE2 GLN 35 9.255 14.772 -0.322 269 HE22 GLN 35 2HE2 GLN 35 9.630 16.064 0.762 270 H GLY 36 H GLY 36 8.655 16.838 -6.353 271 HA2 GLY 36 2HA GLY 36 10.409 18.209 -7.207 272 HA3 GLY 36 3HA GLY 36 11.571 17.012 -6.655 273 H ASP 37 H ASP 37 9.852 14.836 -7.805 274 HA ASP 37 HA ASP 37 11.173 14.503 -10.234 275 HB2 ASP 37 2HB ASP 37 8.607 13.276 -9.214 276 HB3 ASP 37 3HB ASP 37 9.414 12.752 -10.690 277 H ILE 38 H ILE 38 10.801 15.132 -12.277 278 HA ILE 38 HA ILE 38 8.268 16.528 -12.845 279 HB ILE 38 HB ILE 38 11.017 17.264 -13.859 280 HG12 ILE 38 2HG1 ILE 38 9.430 19.294 -12.475 281 HG13 ILE 38 3HG1 ILE 38 9.822 17.916 -11.453 282 HG21 ILE 38 1HG2 ILE 38 9.316 19.309 -14.527 283 HG22 ILE 38 2HG2 ILE 38 9.900 18.059 -15.623 284 HG23 ILE 38 3HG2 ILE 38 8.336 17.874 -14.829 285 HD11 ILE 38 3HD1 ILE 38 12.012 19.103 -13.053 286 HD12 ILE 38 1HD1 ILE 38 11.410 20.015 -11.669 287 HD13 ILE 38 2HD1 ILE 38 12.041 18.383 -11.444 288 H VAL 39 H VAL 39 7.265 16.072 -14.745 289 HA VAL 39 HA VAL 39 8.653 14.498 -16.771 290 HB VAL 39 HB VAL 39 7.030 12.748 -16.863 291 HG11 VAL 39 1HG1 VAL 39 7.651 13.090 -13.938 292 HG12 VAL 39 2HG1 VAL 39 7.478 11.588 -14.847 293 HG13 VAL 39 3HG1 VAL 39 8.866 12.637 -15.134 294 HG21 VAL 39 3HG2 VAL 39 5.509 14.508 -15.007 295 HG22 VAL 39 1HG2 VAL 39 4.952 13.593 -16.407 296 HG23 VAL 39 2HG2 VAL 39 5.283 12.764 -14.886 297 H GLU 40 H GLU 40 7.685 14.571 -18.825 298 HA GLU 40 HA GLU 40 6.013 16.900 -19.240 299 HB2 GLU 40 2HB GLU 40 7.894 16.597 -20.726 300 HB3 GLU 40 3HB GLU 40 7.339 14.989 -21.169 301 HG2 GLU 40 2HG GLU 40 5.366 15.957 -22.228 302 HG3 GLU 40 3HG GLU 40 5.917 17.570 -21.780 303 H TYR 41 H TYR 41 4.015 16.897 -20.318 304 HA TYR 41 HA TYR 41 2.707 14.375 -20.884 305 HB2 TYR 41 2HB TYR 41 2.378 14.773 -18.424 306 HB3 TYR 41 3HB TYR 41 1.501 16.244 -18.837 307 HD1 TYR 41 HD2 TYR 41 1.477 12.559 -19.350 308 HD2 TYR 41 HD1 TYR 41 -0.787 16.161 -19.308 309 HE1 TYR 41 HE2 TYR 41 -0.594 11.253 -19.578 310 HE2 TYR 41 HE1 TYR 41 -2.865 14.864 -19.536 311 HH TYR 41 HH TYR 41 -3.575 12.404 -18.931 312 H ASN 42 H ASN 42 1.811 14.704 -22.799 313 HA ASN 42 HA ASN 42 0.780 15.694 -24.572 314 HB2 ASN 42 2HB ASN 42 -0.664 16.818 -22.202 315 HB3 ASN 42 3HB ASN 42 -1.040 17.435 -23.809 316 HD21 ASN 42 1HD2 ASN 42 -3.165 16.530 -23.196 317 HD22 ASN 42 2HD2 ASN 42 -3.472 14.869 -23.563 318 H GLY 43 H GLY 43 3.246 16.916 -23.465 319 HA2 GLY 43 2HA GLY 43 4.547 18.628 -24.400 320 HA3 GLY 43 3HA GLY 43 3.078 19.400 -24.976 321 H LYS 44 H LYS 44 3.131 18.395 -21.689 322 HA LYS 44 HA LYS 44 3.487 21.200 -20.862 323 HB2 LYS 44 2HB LYS 44 1.788 19.011 -19.661 324 HB3 LYS 44 3HB LYS 44 2.088 20.552 -18.869 325 HG2 LYS 44 2HG LYS 44 1.223 21.323 -21.351 326 HG3 LYS 44 3HG LYS 44 0.257 19.880 -21.033 327 HD2 LYS 44 2HD LYS 44 0.211 21.270 -18.633 328 HD3 LYS 44 3HD LYS 44 0.078 22.529 -19.863 329 HE2 LYS 44 2HE LYS 44 -1.763 21.210 -20.909 330 HE3 LYS 44 3HE LYS 44 -1.685 20.106 -19.535 331 HZ1 LYS 44 3HZ LYS 44 -2.961 21.475 -18.382 332 HZ2 LYS 44 1HZ LYS 44 -3.094 22.497 -19.723 333 HZ3 LYS 44 2HZ LYS 44 -1.865 22.747 -18.588 334 H LEU 45 H LEU 45 3.887 21.094 -18.265 335 HA LEU 45 HA LEU 45 5.926 19.093 -17.667 336 HB2 LEU 45 2HB LEU 45 6.383 22.045 -17.859 337 HB3 LEU 45 3HB LEU 45 7.343 21.058 -16.757 338 HG LEU 45 HG LEU 45 7.196 20.738 -19.755 339 HD11 LEU 45 1HD1 LEU 45 9.800 21.254 -19.012 340 HD12 LEU 45 2HD1 LEU 45 8.858 22.348 -18.000 341 HD13 LEU 45 3HD1 LEU 45 8.681 22.398 -19.754 342 HD21 LEU 45 3HD2 LEU 45 8.494 19.144 -17.586 343 HD22 LEU 45 1HD2 LEU 45 9.249 19.249 -19.177 344 HD23 LEU 45 2HD2 LEU 45 7.620 18.593 -19.016 345 H TYR 46 H TYR 46 5.278 18.245 -15.807 346 HA TYR 46 HA TYR 46 4.221 20.055 -13.735 347 HB2 TYR 46 2HB TYR 46 3.520 17.147 -14.185 348 HB3 TYR 46 3HB TYR 46 2.879 18.172 -12.906 349 HD1 TYR 46 HD2 TYR 46 2.829 17.482 -16.516 350 HD2 TYR 46 HD1 TYR 46 1.161 19.795 -13.358 351 HE1 TYR 46 HE2 TYR 46 1.000 18.184 -18.004 352 HE2 TYR 46 HE1 TYR 46 -0.673 20.503 -14.838 353 HH TYR 46 HH TYR 46 -1.451 19.006 -17.646 354 H LYS 47 H LYS 47 4.665 19.452 -11.522 355 HA LYS 47 HA LYS 47 6.983 17.682 -11.179 356 HB2 LYS 47 2HB LYS 47 7.941 19.871 -11.231 357 HB3 LYS 47 3HB LYS 47 6.694 20.510 -10.169 358 HG2 LYS 47 2HG LYS 47 7.675 19.696 -8.292 359 HG3 LYS 47 3HG LYS 47 8.363 18.299 -9.123 360 HD2 LYS 47 2HD LYS 47 10.314 19.377 -9.103 361 HD3 LYS 47 3HD LYS 47 9.620 20.491 -10.284 362 HE2 LYS 47 2HE LYS 47 8.724 21.813 -8.335 363 HE3 LYS 47 3HE LYS 47 9.705 20.789 -7.288 364 HZ1 LYS 47 3HZ LYS 47 10.932 22.214 -9.559 365 HZ2 LYS 47 1HZ LYS 47 11.659 21.647 -8.139 366 HZ3 LYS 47 2HZ LYS 47 10.664 23.014 -8.091 367 H ALA 48 H ALA 48 6.562 16.184 -9.707 368 HA ALA 48 HA ALA 48 4.243 16.128 -8.134 369 HB1 ALA 48 1HB ALA 48 6.800 14.561 -8.044 370 HB2 ALA 48 2HB ALA 48 5.494 14.277 -6.892 371 HB3 ALA 48 3HB ALA 48 5.212 14.055 -8.619 372 H LYS 49 H LYS 49 3.758 17.360 -6.449 373 HA LYS 49 HA LYS 49 5.608 18.966 -5.062 374 HB2 LYS 49 2HB LYS 49 2.821 18.103 -4.267 375 HB3 LYS 49 3HB LYS 49 3.738 19.383 -3.485 376 HG2 LYS 49 2HG LYS 49 3.681 20.728 -5.451 377 HG3 LYS 49 3HG LYS 49 2.999 19.406 -6.401 378 HD2 LYS 49 2HD LYS 49 0.912 19.607 -5.423 379 HD3 LYS 49 3HD LYS 49 1.551 20.397 -3.980 380 HE2 LYS 49 2HE LYS 49 2.234 22.184 -5.906 381 HE3 LYS 49 3HE LYS 49 0.731 21.539 -6.562 382 HZ1 LYS 49 3HZ LYS 49 0.401 23.492 -5.130 383 HZ2 LYS 49 1HZ LYS 49 1.036 22.633 -3.819 384 HZ3 LYS 49 2HZ LYS 49 -0.404 22.123 -4.547 385 H TYR 50 H TYR 50 3.972 15.951 -4.124 386 HA TYR 50 HA TYR 50 6.181 15.393 -2.291 387 HB2 TYR 50 2HB TYR 50 4.798 14.939 -0.429 388 HB3 TYR 50 3HB TYR 50 4.225 16.477 -1.061 389 HD1 TYR 50 HD1 TYR 50 2.310 16.153 -2.946 390 HD2 TYR 50 HD2 TYR 50 3.183 13.428 0.203 391 HE1 TYR 50 HE1 TYR 50 0.032 15.240 -3.113 392 HE2 TYR 50 HE2 TYR 50 0.909 12.506 0.044 393 HH TYR 50 HH TYR 50 -1.111 12.736 -0.880 394 H TRP 51 H TRP 51 5.839 13.084 -1.342 395 HA TRP 51 HA TRP 51 6.050 11.233 -3.361 396 HB2 TRP 51 2HB TRP 51 6.387 11.120 -0.697 397 HB3 TRP 51 3HB TRP 51 4.859 10.252 -0.823 398 HD1 TRP 51 HD1 TRP 51 8.441 10.066 -2.298 399 HE1 TRP 51 HE1 TRP 51 8.978 7.591 -2.761 400 HE3 TRP 51 HE3 TRP 51 3.930 8.008 -1.050 401 HZ2 TRP 51 HZ2 TRP 51 7.663 5.098 -2.618 402 HZ3 TRP 51 HZ3 TRP 51 3.652 5.571 -1.243 403 HH2 TRP 51 HH2 TRP 51 5.481 4.148 -2.011 404 H THR 52 H THR 52 4.620 10.701 -4.867 405 HA THR 52 HA THR 52 2.019 9.718 -4.145 406 HB THR 52 HB THR 52 2.110 12.136 -5.955 407 HG1 THR 52 HG1 THR 52 1.312 11.905 -3.227 408 HG21 THR 52 3HG2 THR 52 -0.456 11.748 -4.953 409 HG22 THR 52 1HG2 THR 52 0.114 10.125 -5.343 410 HG23 THR 52 2HG2 THR 52 0.104 11.378 -6.585 411 H THR 53 H THR 53 1.069 8.483 -5.765 412 HA THR 53 HA THR 53 2.643 8.181 -8.238 413 HB THR 53 HB THR 53 2.303 5.792 -8.204 414 HG1 THR 53 HG1 THR 53 1.246 4.834 -6.370 415 HG21 THR 53 3HG2 THR 53 3.833 5.229 -6.549 416 HG22 THR 53 1HG2 THR 53 3.171 6.389 -5.399 417 HG23 THR 53 2HG2 THR 53 4.133 6.953 -6.766 418 H SER 54 H SER 54 1.395 8.995 -9.802 419 HA SER 54 HA SER 54 -0.896 7.744 -10.727 420 HB2 SER 54 2HB SER 54 -1.469 9.411 -8.498 421 HB3 SER 54 3HB SER 54 -2.120 10.206 -9.931 422 HG SER 54 HG SER 54 -2.571 7.474 -9.340 423 HA PRO 55 HA PRO 55 0.069 10.271 -14.184 424 HB2 PRO 55 2HB PRO 55 -2.289 10.218 -15.528 425 HB3 PRO 55 3HB PRO 55 -1.205 8.825 -15.436 426 HG2 PRO 55 2HG PRO 55 -3.672 9.413 -13.844 427 HG3 PRO 55 3HG PRO 55 -3.148 7.883 -14.572 428 HD2 PRO 55 2HD PRO 55 -2.825 8.431 -11.940 429 HD3 PRO 55 3HD PRO 55 -1.685 7.421 -12.852 430 HA PRO 56 HA PRO 56 -1.213 14.412 -13.401 431 HB2 PRO 56 2HB PRO 56 -0.768 15.520 -15.839 432 HB3 PRO 56 3HB PRO 56 0.538 15.063 -14.739 433 HG2 PRO 56 2HG PRO 56 -0.549 13.586 -17.105 434 HG3 PRO 56 3HG PRO 56 1.138 13.827 -16.615 435 HD2 PRO 56 2HD PRO 56 -0.205 11.526 -16.131 436 HD3 PRO 56 3HD PRO 56 1.054 12.144 -15.042 437 H SER 57 H SER 57 -3.128 15.412 -13.326 438 HA SER 57 HA SER 57 -4.855 15.908 -15.436 439 HB2 SER 57 2HB SER 57 -5.096 13.209 -14.366 440 HB3 SER 57 3HB SER 57 -6.611 14.105 -14.255 441 HG SER 57 HG SER 57 -6.606 14.389 -16.437 442 H ASP 58 H ASP 58 -5.737 14.549 -12.276 443 HA ASP 58 HA ASP 58 -6.472 17.250 -11.377 444 HB2 ASP 58 2HB ASP 58 -8.396 15.612 -12.210 445 HB3 ASP 58 3HB ASP 58 -8.217 14.968 -10.579 446 H ASP 59 H ASP 59 -5.117 17.624 -9.744 447 HA ASP 59 HA ASP 59 -4.619 15.462 -7.809 448 HB2 ASP 59 2HB ASP 59 -2.912 17.885 -7.767 449 HB3 ASP 59 3HB ASP 59 -2.476 16.194 -7.543 450 HA PRO 60 HA PRO 60 -7.313 18.433 -5.549 451 HB2 PRO 60 2HB PRO 60 -8.603 16.511 -4.130 452 HB3 PRO 60 3HB PRO 60 -9.094 16.997 -5.757 453 HG2 PRO 60 2HG PRO 60 -7.461 14.640 -4.894 454 HG3 PRO 60 3HG PRO 60 -8.764 14.719 -6.094 455 HD2 PRO 60 2HD PRO 60 -6.146 14.704 -6.785 456 HD3 PRO 60 3HD PRO 60 -7.377 15.568 -7.729 457 H TYR 61 H TYR 61 -4.906 16.175 -4.735 458 HA TYR 61 HA TYR 61 -4.851 17.125 -1.948 459 HB2 TYR 61 2HB TYR 61 -3.175 15.020 -1.883 460 HB3 TYR 61 3HB TYR 61 -4.906 14.879 -1.596 461 HD1 TYR 61 HD1 TYR 61 -2.247 14.430 -4.125 462 HD2 TYR 61 HD2 TYR 61 -6.304 13.673 -3.091 463 HE1 TYR 61 HE1 TYR 61 -2.422 12.844 -5.997 464 HE2 TYR 61 HE2 TYR 61 -6.490 12.083 -4.960 465 HH TYR 61 HH TYR 61 -3.785 11.547 -7.191 466 H GLY 62 H GLY 62 -3.650 18.128 -4.641 467 HA2 GLY 62 2HA GLY 62 -1.764 19.280 -5.259 468 HA3 GLY 62 3HA GLY 62 -1.369 19.347 -3.549 469 H SER 63 H SER 63 -1.587 16.670 -5.890 470 HA SER 63 HA SER 63 0.901 15.586 -4.856 471 HB2 SER 63 2HB SER 63 -0.281 13.714 -5.277 472 HB3 SER 63 3HB SER 63 -1.399 14.564 -6.345 473 HG SER 63 HG SER 63 -0.371 13.300 -7.738 474 H TRP 64 H TRP 64 -0.137 17.560 -7.430 475 HA TRP 64 HA TRP 64 2.532 17.382 -8.641 476 HB2 TRP 64 2HB TRP 64 -0.123 17.209 -10.041 477 HB3 TRP 64 3HB TRP 64 1.299 17.823 -10.879 478 HD1 TRP 64 HD1 TRP 64 -0.374 14.633 -9.847 479 HE1 TRP 64 HE1 TRP 64 1.052 12.622 -10.588 480 HE3 TRP 64 HE3 TRP 64 3.895 17.113 -11.175 481 HZ2 TRP 64 HZ2 TRP 64 3.645 12.150 -11.600 482 HZ3 TRP 64 HZ3 TRP 64 5.802 15.808 -12.020 483 HH2 TRP 64 HH2 TRP 64 5.678 13.378 -12.226 484 H GLU 65 H GLU 65 3.098 19.299 -9.931 485 HA GLU 65 HA GLU 65 1.539 21.698 -9.353 486 HB2 GLU 65 2HB GLU 65 3.177 21.429 -7.494 487 HB3 GLU 65 3HB GLU 65 4.478 21.494 -8.676 488 HG2 GLU 65 2HG GLU 65 3.646 23.758 -9.338 489 HG3 GLU 65 3HG GLU 65 2.540 23.680 -7.968 490 H TYR 66 H TYR 66 1.234 22.605 -11.268 491 HA TYR 66 HA TYR 66 2.840 22.069 -13.539 492 HB2 TYR 66 2HB TYR 66 0.588 22.599 -13.982 493 HB3 TYR 66 3HB TYR 66 0.636 24.040 -12.974 494 HD1 TYR 66 HD1 TYR 66 1.613 26.112 -13.808 495 HD2 TYR 66 HD2 TYR 66 1.435 22.633 -16.252 496 HE1 TYR 66 HE1 TYR 66 2.091 27.487 -15.790 497 HE2 TYR 66 HE2 TYR 66 1.915 23.999 -18.241 498 HH TYR 66 HH TYR 66 1.647 26.409 -18.927 499 H LEU 67 H LEU 67 4.840 22.796 -13.806 500 HA LEU 67 HA LEU 67 5.567 25.426 -12.727 501 HB2 LEU 67 2HB LEU 67 7.467 23.387 -13.838 502 HB3 LEU 67 3HB LEU 67 7.815 24.730 -12.754 503 HG LEU 67 HG LEU 67 6.360 22.179 -12.064 504 HD11 LEU 67 1HD1 LEU 67 9.116 23.219 -11.617 505 HD12 LEU 67 2HD1 LEU 67 8.575 21.592 -12.031 506 HD13 LEU 67 3HD1 LEU 67 8.373 22.196 -10.386 507 HD21 LEU 67 3HD2 LEU 67 6.969 23.563 -9.733 508 HD22 LEU 67 1HD2 LEU 67 5.371 23.344 -10.448 509 HD23 LEU 67 2HD2 LEU 67 6.313 24.789 -10.819 510 H GLY 68 H GLY 68 4.690 23.948 -15.603 511 HA2 GLY 68 2HA GLY 68 4.712 26.079 -17.246 512 HA3 GLY 68 3HA GLY 68 6.380 25.535 -17.341 513 H GLU 69 H GLU 69 5.781 25.294 -19.649 514 HA GLU 69 HA GLU 69 4.527 22.666 -20.109 515 HB2 GLU 69 2HB GLU 69 3.883 25.244 -21.242 516 HB3 GLU 69 3HB GLU 69 4.364 24.119 -22.505 517 HG2 GLU 69 2HG GLU 69 2.640 22.616 -21.973 518 HG3 GLU 69 3HG GLU 69 2.317 23.408 -20.432 519 H ALA 70 H ALA 70 5.362 21.436 -21.882 520 HA ALA 70 HA ALA 70 8.142 21.318 -22.009 521 HB1 ALA 70 1HB ALA 70 6.901 19.368 -22.526 522 HB2 ALA 70 2HB ALA 70 6.034 20.181 -23.829 523 HB3 ALA 70 3HB ALA 70 7.753 19.826 -24.001 524 H GLU 71 H GLU 71 5.823 22.870 -24.175 525 HA GLU 71 HA GLU 71 8.091 24.126 -25.577 526 HB2 GLU 71 2HB GLU 71 5.884 22.633 -26.627 527 HB3 GLU 71 3HB GLU 71 5.763 24.295 -27.187 528 HG2 GLU 71 2HG GLU 71 8.358 23.875 -27.663 529 HG3 GLU 71 3HG GLU 71 7.766 22.221 -27.813 530 HA PRO 72 HA PRO 72 6.156 27.696 -23.619 531 HB2 PRO 72 2HB PRO 72 8.248 29.361 -24.088 532 HB3 PRO 72 3HB PRO 72 8.224 28.201 -22.755 533 HG2 PRO 72 2HG PRO 72 9.542 27.981 -25.434 534 HG3 PRO 72 3HG PRO 72 10.172 27.534 -23.837 535 HD2 PRO 72 2HD PRO 72 9.166 25.712 -25.570 536 HD3 PRO 72 3HD PRO 72 9.029 25.533 -23.809 537 H THR 73 H THR 73 5.421 29.744 -24.381 538 HA THR 73 HA THR 73 5.150 29.836 -27.299 539 HB THR 73 HB THR 73 3.594 31.506 -25.330 540 HG1 THR 73 HG1 THR 73 2.987 28.900 -26.317 541 HG21 THR 73 3HG2 THR 73 2.517 30.508 -27.915 542 HG22 THR 73 1HG2 THR 73 3.718 31.796 -27.968 543 HG23 THR 73 2HG2 THR 73 2.214 32.029 -27.077 Start of MODEL 22 1 H1 GLY 1 H GLY 1 34.620 2.423 -5.099 2 HA2 GLY 1 2HA GLY 1 34.227 4.468 -4.071 3 HA3 GLY 1 3HA GLY 1 33.678 4.864 -5.693 4 HA PRO 2 HA PRO 2 30.220 5.175 -2.451 5 HB2 PRO 2 2HB PRO 2 30.038 7.883 -2.357 6 HB3 PRO 2 3HB PRO 2 31.082 6.952 -1.277 7 HG2 PRO 2 2HG PRO 2 31.788 8.434 -3.780 8 HG3 PRO 2 3HG PRO 2 32.653 8.374 -2.234 9 HD2 PRO 2 2HD PRO 2 33.399 6.900 -4.379 10 HD3 PRO 2 3HD PRO 2 33.619 6.336 -2.710 11 H SER 3 H SER 3 28.068 5.977 -2.869 12 HA SER 3 HA SER 3 27.592 6.408 -5.737 13 HB2 SER 3 2HB SER 3 26.589 4.397 -4.443 14 HB3 SER 3 3HB SER 3 25.474 5.584 -3.764 15 HG SER 3 HG SER 3 24.390 5.327 -5.537 16 H THR 4 H THR 4 25.843 7.841 -6.359 17 HA THR 4 HA THR 4 25.941 10.308 -4.887 18 HB THR 4 HB THR 4 23.984 10.045 -7.092 19 HG1 THR 4 HG1 THR 4 25.402 9.003 -8.287 20 HG21 THR 4 3HG2 THR 4 25.807 12.052 -7.648 21 HG22 THR 4 1HG2 THR 4 25.717 12.046 -5.887 22 HG23 THR 4 2HG2 THR 4 24.250 12.253 -6.845 23 H SER 5 H SER 5 23.897 11.554 -4.472 24 HA SER 5 HA SER 5 21.744 9.784 -3.522 25 HB2 SER 5 2HB SER 5 21.491 11.517 -1.630 26 HB3 SER 5 3HB SER 5 22.840 10.385 -1.524 27 HG SER 5 HG SER 5 22.873 13.085 -1.722 28 H MET 6 H MET 6 19.643 10.766 -3.372 29 HA MET 6 HA MET 6 19.110 13.384 -4.312 30 HB2 MET 6 2HB MET 6 18.258 12.992 -6.479 31 HB3 MET 6 3HB MET 6 19.812 12.170 -6.435 32 HG2 MET 6 2HG MET 6 17.976 10.259 -5.599 33 HG3 MET 6 3HG MET 6 17.179 11.109 -6.920 34 HE1 MET 6 3HE MET 6 19.519 7.790 -6.729 35 HE2 MET 6 1HE MET 6 17.832 8.272 -6.552 36 HE3 MET 6 2HE MET 6 18.427 7.707 -8.113 37 H GLU 7 H GLU 7 16.598 13.284 -5.194 38 HA GLU 7 HA GLU 7 15.116 11.572 -3.319 39 HB2 GLU 7 2HB GLU 7 15.177 14.527 -3.456 40 HB3 GLU 7 3HB GLU 7 13.584 13.801 -3.291 41 HG2 GLU 7 2HG GLU 7 13.988 13.823 -1.106 42 HG3 GLU 7 3HG GLU 7 15.036 12.440 -1.419 43 H ASN 8 H ASN 8 15.643 12.187 -6.411 44 HA ASN 8 HA ASN 8 12.969 11.336 -7.192 45 HB2 ASN 8 2HB ASN 8 12.783 13.015 -8.963 46 HB3 ASN 8 3HB ASN 8 12.898 13.789 -7.384 47 HD21 ASN 8 1HD2 ASN 8 13.470 14.948 -9.936 48 HD22 ASN 8 2HD2 ASN 8 15.132 15.420 -9.919 49 H LEU 9 H LEU 9 13.448 9.456 -8.135 50 HA LEU 9 HA LEU 9 15.865 9.178 -9.731 51 HB2 LEU 9 2HB LEU 9 15.477 6.852 -9.686 52 HB3 LEU 9 3HB LEU 9 15.108 7.454 -8.071 53 HG LEU 9 HG LEU 9 12.689 7.448 -9.541 54 HD11 LEU 9 1HD1 LEU 9 12.599 4.933 -9.929 55 HD12 LEU 9 2HD1 LEU 9 14.361 4.981 -9.906 56 HD13 LEU 9 3HD1 LEU 9 13.471 5.900 -11.119 57 HD21 LEU 9 3HD2 LEU 9 11.915 6.161 -7.758 58 HD22 LEU 9 1HD2 LEU 9 13.236 7.096 -7.055 59 HD23 LEU 9 2HD2 LEU 9 13.488 5.407 -7.494 60 H VAL 10 H VAL 10 13.203 10.629 -10.455 61 HA VAL 10 HA VAL 10 11.895 9.390 -12.536 62 HB VAL 10 HB VAL 10 11.345 11.640 -11.550 63 HG11 VAL 10 1HG1 VAL 10 12.516 13.527 -12.021 64 HG12 VAL 10 2HG1 VAL 10 13.839 12.365 -12.152 65 HG13 VAL 10 3HG1 VAL 10 13.027 12.948 -13.606 66 HG21 VAL 10 3HG2 VAL 10 10.152 12.318 -13.428 67 HG22 VAL 10 1HG2 VAL 10 11.430 11.825 -14.538 68 HG23 VAL 10 2HG2 VAL 10 10.439 10.605 -13.737 69 H SER 11 H SER 11 15.083 10.800 -12.494 70 HA SER 11 HA SER 11 15.465 11.021 -15.285 71 HB2 SER 11 2HB SER 11 17.084 11.279 -12.881 72 HB3 SER 11 3HB SER 11 17.982 10.529 -14.200 73 HG SER 11 HG SER 11 18.133 12.804 -14.268 74 H LEU 12 H LEU 12 16.272 8.453 -12.972 75 HA LEU 12 HA LEU 12 17.522 6.724 -14.796 76 HB2 LEU 12 2HB LEU 12 17.580 6.579 -12.293 77 HB3 LEU 12 3HB LEU 12 15.949 5.914 -12.359 78 HG LEU 12 HG LEU 12 17.238 4.215 -14.020 79 HD11 LEU 12 1HD1 LEU 12 19.401 3.710 -13.291 80 HD12 LEU 12 2HD1 LEU 12 19.241 4.698 -11.839 81 HD13 LEU 12 3HD1 LEU 12 19.381 5.469 -13.418 82 HD21 LEU 12 3HD2 LEU 12 17.340 3.776 -11.059 83 HD22 LEU 12 1HD2 LEU 12 16.970 2.627 -12.345 84 HD23 LEU 12 2HD2 LEU 12 15.797 3.870 -11.909 85 H GLN 13 H GLN 13 14.181 7.397 -14.166 86 HA GLN 13 HA GLN 13 12.987 5.069 -15.147 87 HB2 GLN 13 2HB GLN 13 11.947 7.898 -15.383 88 HB3 GLN 13 3HB GLN 13 10.991 6.426 -15.491 89 HG2 GLN 13 2HG GLN 13 11.707 5.910 -13.141 90 HG3 GLN 13 3HG GLN 13 12.395 7.533 -13.077 91 HE21 GLN 13 1HE2 GLN 13 10.871 7.736 -11.275 92 HE22 GLN 13 2HE2 GLN 13 9.245 8.209 -11.618 93 H ASN 14 H ASN 14 14.656 7.590 -16.783 94 HA ASN 14 HA ASN 14 14.211 6.239 -19.323 95 HB2 ASN 14 2HB ASN 14 13.000 8.780 -18.636 96 HB3 ASN 14 3HB ASN 14 14.084 8.950 -20.015 97 HD21 ASN 14 1HD2 ASN 14 11.212 7.410 -18.795 98 HD22 ASN 14 2HD2 ASN 14 10.596 6.898 -20.325 99 H LEU 15 H LEU 15 15.538 9.425 -18.466 100 HA LEU 15 HA LEU 15 18.198 8.447 -19.264 101 HB2 LEU 15 2HB LEU 15 16.604 10.517 -20.455 102 HB3 LEU 15 3HB LEU 15 18.091 11.202 -19.802 103 HG LEU 15 HG LEU 15 19.095 9.093 -21.148 104 HD11 LEU 15 1HD1 LEU 15 16.621 8.734 -21.913 105 HD12 LEU 15 2HD1 LEU 15 17.948 8.544 -23.058 106 HD13 LEU 15 3HD1 LEU 15 16.999 10.029 -23.048 107 HD21 LEU 15 3HD2 LEU 15 19.363 10.800 -23.065 108 HD22 LEU 15 1HD2 LEU 15 20.048 11.183 -21.486 109 HD23 LEU 15 2HD2 LEU 15 18.522 11.911 -21.984 110 H LEU 16 H LEU 16 19.792 8.858 -17.864 111 HA LEU 16 HA LEU 16 19.302 10.852 -15.751 112 HB2 LEU 16 2HB LEU 16 19.220 8.361 -15.120 113 HB3 LEU 16 3HB LEU 16 20.967 8.389 -15.352 114 HG LEU 16 HG LEU 16 20.046 10.511 -13.588 115 HD11 LEU 16 1HD1 LEU 16 19.361 7.660 -12.948 116 HD12 LEU 16 2HD1 LEU 16 18.340 9.092 -12.837 117 HD13 LEU 16 3HD1 LEU 16 19.658 8.859 -11.689 118 HD21 LEU 16 3HD2 LEU 16 21.770 9.209 -12.126 119 HD22 LEU 16 1HD2 LEU 16 22.315 10.124 -13.531 120 HD23 LEU 16 2HD2 LEU 16 22.129 8.373 -13.637 121 H VAL 17 H VAL 17 20.476 11.889 -17.830 122 HA VAL 17 HA VAL 17 23.364 11.590 -17.683 123 HB VAL 17 HB VAL 17 23.400 13.290 -19.497 124 HG11 VAL 17 1HG1 VAL 17 22.127 11.816 -21.174 125 HG12 VAL 17 2HG1 VAL 17 23.452 11.087 -20.264 126 HG13 VAL 17 3HG1 VAL 17 21.781 10.783 -19.788 127 HG21 VAL 17 3HG2 VAL 17 21.274 14.407 -18.772 128 HG22 VAL 17 1HG2 VAL 17 21.390 14.084 -20.503 129 HG23 VAL 17 2HG2 VAL 17 20.396 13.049 -19.476 130 H TYR 18 H TYR 18 24.454 13.953 -18.008 131 HA TYR 18 HA TYR 18 23.664 15.457 -15.605 132 HB2 TYR 18 2HB TYR 18 26.082 16.329 -15.786 133 HB3 TYR 18 3HB TYR 18 25.844 14.671 -15.244 134 HD1 TYR 18 HD2 TYR 18 26.447 16.610 -18.379 135 HD2 TYR 18 HD1 TYR 18 27.086 12.990 -16.237 136 HE1 TYR 18 HE2 TYR 18 27.932 15.819 -20.172 137 HE2 TYR 18 HE1 TYR 18 28.574 12.189 -18.025 138 HH TYR 18 HH TYR 18 28.668 13.392 -21.015 139 H VAL 19 H VAL 19 22.416 15.859 -18.155 140 HA VAL 19 HA VAL 19 22.959 18.703 -18.450 141 HB VAL 19 HB VAL 19 23.052 18.611 -20.894 142 HG11 VAL 19 1HG1 VAL 19 25.109 18.418 -19.354 143 HG12 VAL 19 2HG1 VAL 19 25.178 16.744 -19.907 144 HG13 VAL 19 3HG1 VAL 19 25.307 18.064 -21.070 145 HG21 VAL 19 3HG2 VAL 19 22.324 15.850 -20.432 146 HG22 VAL 19 1HG2 VAL 19 22.243 16.804 -21.914 147 HG23 VAL 19 2HG2 VAL 19 23.740 15.980 -21.476 148 H ASN 20 H ASN 20 21.116 19.809 -18.611 149 HA ASN 20 HA ASN 20 18.614 18.741 -18.302 150 HB2 ASN 20 2HB ASN 20 19.585 21.267 -18.433 151 HB3 ASN 20 3HB ASN 20 18.702 21.192 -19.955 152 HD21 ASN 20 1HD2 ASN 20 16.646 21.719 -19.877 153 HD22 ASN 20 2HD2 ASN 20 15.640 21.694 -18.473 154 H TRP 21 H TRP 21 17.859 17.136 -19.556 155 HA TRP 21 HA TRP 21 18.296 16.968 -22.359 156 HB2 TRP 21 2HB TRP 21 17.853 15.018 -20.835 157 HB3 TRP 21 3HB TRP 21 16.173 15.540 -20.752 158 HD1 TRP 21 HD1 TRP 21 14.788 13.962 -22.206 159 HE1 TRP 21 HE1 TRP 21 15.028 12.913 -24.543 160 HE3 TRP 21 HE3 TRP 21 19.442 15.705 -23.403 161 HZ2 TRP 21 HZ2 TRP 21 16.938 12.834 -26.621 162 HZ3 TRP 21 HZ3 TRP 21 20.403 15.097 -25.586 163 HH2 TRP 21 HH2 TRP 21 19.176 13.691 -27.159 164 H SER 22 H SER 22 16.921 17.375 -24.069 165 HA SER 22 HA SER 22 14.906 19.402 -23.568 166 HB2 SER 22 2HB SER 22 16.622 18.669 -25.771 167 HB3 SER 22 3HB SER 22 14.949 18.794 -26.314 168 HG SER 22 HG SER 22 14.983 20.876 -25.113 169 H SER 23 H SER 23 15.080 16.217 -25.138 170 HA SER 23 HA SER 23 12.197 16.105 -25.408 171 HB2 SER 23 2HB SER 23 13.630 15.174 -27.179 172 HB3 SER 23 3HB SER 23 14.307 14.021 -26.030 173 HG SER 23 HG SER 23 12.318 13.532 -27.508 174 H TYR 24 H TYR 24 12.514 16.407 -22.831 175 HA TYR 24 HA TYR 24 13.123 14.366 -21.128 176 HB2 TYR 24 2HB TYR 24 11.317 16.671 -21.051 177 HB3 TYR 24 3HB TYR 24 10.820 15.359 -19.988 178 HD1 TYR 24 HD2 TYR 24 14.293 16.326 -20.873 179 HD2 TYR 24 HD1 TYR 24 11.281 16.267 -17.869 180 HE1 TYR 24 HE2 TYR 24 15.948 17.054 -19.206 181 HE2 TYR 24 HE1 TYR 24 12.928 16.994 -16.194 182 HH TYR 24 HH TYR 24 16.299 17.034 -16.828 183 HA PRO 25 HA PRO 25 10.351 11.018 -21.727 184 HB2 PRO 25 2HB PRO 25 9.919 10.180 -19.181 185 HB3 PRO 25 3HB PRO 25 11.453 9.938 -20.025 186 HG2 PRO 25 2HG PRO 25 10.700 12.038 -18.028 187 HG3 PRO 25 3HG PRO 25 12.199 11.097 -18.153 188 HD2 PRO 25 2HD PRO 25 11.999 13.645 -19.047 189 HD3 PRO 25 3HD PRO 25 13.053 12.443 -19.818 190 H LYS 26 H LYS 26 8.189 10.177 -21.223 191 HA LYS 26 HA LYS 26 6.343 12.367 -20.574 192 HB2 LYS 26 2HB LYS 26 6.012 9.861 -22.217 193 HB3 LYS 26 3HB LYS 26 4.647 10.853 -21.725 194 HG2 LYS 26 2HG LYS 26 5.170 12.535 -23.159 195 HG3 LYS 26 3HG LYS 26 6.903 12.209 -23.085 196 HD2 LYS 26 2HD LYS 26 6.363 11.521 -25.229 197 HD3 LYS 26 3HD LYS 26 6.281 10.010 -24.320 198 HE2 LYS 26 2HE LYS 26 3.741 11.284 -24.181 199 HE3 LYS 26 3HE LYS 26 4.257 11.262 -25.867 200 HZ1 LYS 26 3HZ LYS 26 3.947 8.945 -24.043 201 HZ2 LYS 26 1HZ LYS 26 4.730 8.842 -25.539 202 HZ3 LYS 26 2HZ LYS 26 3.094 9.261 -25.469 203 H TYR 27 H TYR 27 4.357 11.811 -19.412 204 HA TYR 27 HA TYR 27 4.802 10.645 -16.956 205 HB2 TYR 27 2HB TYR 27 2.918 12.007 -17.044 206 HB3 TYR 27 3HB TYR 27 2.308 11.242 -18.507 207 HD1 TYR 27 HD1 TYR 27 3.316 9.871 -15.178 208 HD2 TYR 27 HD2 TYR 27 0.233 10.328 -18.075 209 HE1 TYR 27 HE1 TYR 27 1.834 8.459 -13.814 210 HE2 TYR 27 HE2 TYR 27 -1.259 8.918 -16.719 211 HH TYR 27 HH TYR 27 -0.115 7.331 -13.777 212 H GLU 28 H GLU 28 5.144 8.624 -16.343 213 HA GLU 28 HA GLU 28 4.222 6.443 -18.083 214 HB2 GLU 28 2HB GLU 28 6.725 6.888 -17.192 215 HB3 GLU 28 3HB GLU 28 6.124 5.886 -15.878 216 HG2 GLU 28 2HG GLU 28 5.302 4.421 -17.965 217 HG3 GLU 28 3HG GLU 28 6.722 5.186 -18.677 218 HA PRO 29 HA PRO 29 1.261 5.975 -14.674 219 HB2 PRO 29 2HB PRO 29 -0.511 4.533 -16.141 220 HB3 PRO 29 3HB PRO 29 -0.428 6.298 -16.200 221 HG2 PRO 29 2HG PRO 29 0.721 4.282 -18.092 222 HG3 PRO 29 3HG PRO 29 -0.120 5.801 -18.451 223 HD2 PRO 29 2HD PRO 29 2.577 5.575 -18.535 224 HD3 PRO 29 3HD PRO 29 1.760 7.079 -18.067 225 H GLY 30 H GLY 30 1.475 4.438 -13.177 226 HA2 GLY 30 2HA GLY 30 1.188 2.120 -12.542 227 HA3 GLY 30 3HA GLY 30 1.931 1.664 -14.068 228 H LYS 31 H LYS 31 3.317 4.277 -12.290 229 HA LYS 31 HA LYS 31 5.254 2.578 -10.948 230 HB2 LYS 31 2HB LYS 31 6.484 2.691 -12.907 231 HB3 LYS 31 3HB LYS 31 5.887 4.295 -13.313 232 HG2 LYS 31 2HG LYS 31 7.336 5.334 -11.771 233 HG3 LYS 31 3HG LYS 31 7.734 3.798 -10.999 234 HD2 LYS 31 2HD LYS 31 8.388 3.470 -13.699 235 HD3 LYS 31 3HD LYS 31 8.964 5.081 -13.267 236 HE2 LYS 31 2HE LYS 31 10.394 4.264 -11.625 237 HE3 LYS 31 3HE LYS 31 9.523 2.737 -11.490 238 HZ1 LYS 31 3HZ LYS 31 11.621 2.435 -12.626 239 HZ2 LYS 31 1HZ LYS 31 11.197 3.584 -13.792 240 HZ3 LYS 31 2HZ LYS 31 10.341 2.129 -13.689 241 H GLU 32 H GLU 32 5.611 3.396 -8.998 242 HA GLU 32 HA GLU 32 4.517 5.699 -7.985 243 HB2 GLU 32 2HB GLU 32 6.315 5.534 -6.200 244 HB3 GLU 32 3HB GLU 32 5.332 4.098 -6.449 245 HG2 GLU 32 2HG GLU 32 7.621 3.974 -8.149 246 HG3 GLU 32 3HG GLU 32 8.132 4.318 -6.498 247 H TYR 33 H TYR 33 5.469 7.720 -7.298 248 HA TYR 33 HA TYR 33 7.806 8.579 -8.849 249 HB2 TYR 33 2HB TYR 33 5.085 9.870 -8.833 250 HB3 TYR 33 3HB TYR 33 6.537 10.777 -9.242 251 HD1 TYR 33 HD1 TYR 33 7.942 9.969 -11.200 252 HD2 TYR 33 HD2 TYR 33 4.012 8.530 -10.435 253 HE1 TYR 33 HE1 TYR 33 7.787 9.177 -13.523 254 HE2 TYR 33 HE2 TYR 33 3.847 7.732 -12.756 255 HH TYR 33 HH TYR 33 6.597 7.907 -14.960 256 H ASN 34 H ASN 34 9.249 9.255 -7.418 257 HA ASN 34 HA ASN 34 8.498 10.136 -4.790 258 HB2 ASN 34 2HB ASN 34 11.239 10.284 -6.051 259 HB3 ASN 34 3HB ASN 34 10.848 10.249 -4.334 260 HD21 ASN 34 1HD2 ASN 34 11.058 8.371 -3.368 261 HD22 ASN 34 2HD2 ASN 34 11.021 6.822 -4.131 262 H GLN 35 H GLN 35 9.231 12.186 -3.857 263 HA GLN 35 HA GLN 35 8.251 14.403 -5.193 264 HB2 GLN 35 2HB GLN 35 9.068 15.709 -3.410 265 HB3 GLN 35 3HB GLN 35 8.743 14.132 -2.705 266 HG2 GLN 35 2HG GLN 35 11.114 13.577 -2.841 267 HG3 GLN 35 3HG GLN 35 11.443 15.153 -3.558 268 HE21 GLN 35 1HE2 GLN 35 9.427 14.117 -0.832 269 HE22 GLN 35 2HE2 GLN 35 10.170 15.152 0.335 270 H GLY 36 H GLY 36 9.054 15.871 -6.588 271 HA2 GLY 36 2HA GLY 36 10.807 17.152 -7.568 272 HA3 GLY 36 3HA GLY 36 11.945 15.897 -7.102 273 H ASP 37 H ASP 37 9.923 13.870 -8.144 274 HA ASP 37 HA ASP 37 11.090 13.390 -10.622 275 HB2 ASP 37 2HB ASP 37 8.482 12.463 -9.425 276 HB3 ASP 37 3HB ASP 37 9.040 11.909 -11.001 277 H ILE 38 H ILE 38 10.764 14.133 -12.623 278 HA ILE 38 HA ILE 38 8.369 15.779 -13.117 279 HB ILE 38 HB ILE 38 11.158 16.249 -14.176 280 HG12 ILE 38 2HG1 ILE 38 9.840 18.429 -12.763 281 HG13 ILE 38 3HG1 ILE 38 10.032 17.003 -11.749 282 HG21 ILE 38 1HG2 ILE 38 9.884 16.972 -15.935 283 HG22 ILE 38 2HG2 ILE 38 8.502 17.366 -14.915 284 HG23 ILE 38 3HG2 ILE 38 9.906 18.431 -14.946 285 HD11 ILE 38 3HD1 ILE 38 12.122 17.600 -11.377 286 HD12 ILE 38 1HD1 ILE 38 12.474 17.375 -13.089 287 HD13 ILE 38 2HD1 ILE 38 11.965 18.956 -12.493 288 H VAL 39 H VAL 39 7.252 15.405 -14.957 289 HA VAL 39 HA VAL 39 8.438 13.738 -17.045 290 HB VAL 39 HB VAL 39 6.617 12.188 -17.126 291 HG11 VAL 39 1HG1 VAL 39 7.663 12.546 -14.323 292 HG12 VAL 39 2HG1 VAL 39 6.792 11.114 -14.878 293 HG13 VAL 39 3HG1 VAL 39 8.343 11.540 -15.602 294 HG21 VAL 39 3HG2 VAL 39 5.335 14.135 -15.312 295 HG22 VAL 39 1HG2 VAL 39 4.637 13.142 -16.592 296 HG23 VAL 39 2HG2 VAL 39 4.980 12.434 -15.013 297 H GLU 40 H GLU 40 7.057 13.655 -19.010 298 HA GLU 40 HA GLU 40 5.736 16.248 -19.387 299 HB2 GLU 40 2HB GLU 40 7.537 15.922 -20.922 300 HB3 GLU 40 3HB GLU 40 6.978 14.306 -21.331 301 HG2 GLU 40 2HG GLU 40 5.020 15.230 -22.421 302 HG3 GLU 40 3HG GLU 40 5.515 16.859 -21.964 303 H TYR 41 H TYR 41 3.618 16.392 -19.769 304 HA TYR 41 HA TYR 41 2.154 14.079 -20.780 305 HB2 TYR 41 2HB TYR 41 1.980 13.785 -18.387 306 HB3 TYR 41 3HB TYR 41 1.509 15.468 -18.172 307 HD1 TYR 41 HD2 TYR 41 -0.722 16.230 -19.034 308 HD2 TYR 41 HD1 TYR 41 0.378 12.122 -18.904 309 HE1 TYR 41 HE2 TYR 41 -3.090 15.596 -19.234 310 HE2 TYR 41 HE1 TYR 41 -1.988 11.476 -19.104 311 HH TYR 41 HH TYR 41 -4.236 12.540 -18.581 312 H ASN 42 H ASN 42 0.865 14.725 -22.362 313 HA ASN 42 HA ASN 42 -0.476 16.000 -23.685 314 HB2 ASN 42 2HB ASN 42 -1.619 16.253 -21.343 315 HB3 ASN 42 3HB ASN 42 -0.987 17.895 -21.418 316 HD21 ASN 42 1HD2 ASN 42 -3.744 16.904 -21.447 317 HD22 ASN 42 2HD2 ASN 42 -4.454 17.538 -22.888 318 H GLY 43 H GLY 43 2.388 16.633 -23.288 319 HA2 GLY 43 2HA GLY 43 3.795 18.138 -24.349 320 HA3 GLY 43 3HA GLY 43 2.392 19.123 -24.740 321 H LYS 44 H LYS 44 2.736 18.220 -21.453 322 HA LYS 44 HA LYS 44 3.773 20.908 -20.825 323 HB2 LYS 44 2HB LYS 44 1.683 19.258 -19.405 324 HB3 LYS 44 3HB LYS 44 2.449 20.663 -18.676 325 HG2 LYS 44 2HG LYS 44 1.577 21.534 -21.174 326 HG3 LYS 44 3HG LYS 44 0.270 20.524 -20.551 327 HD2 LYS 44 2HD LYS 44 1.000 22.007 -18.354 328 HD3 LYS 44 3HD LYS 44 1.188 23.155 -19.681 329 HE2 LYS 44 2HE LYS 44 -1.210 21.872 -20.223 330 HE3 LYS 44 3HE LYS 44 -1.224 22.085 -18.473 331 HZ1 LYS 44 3HZ LYS 44 -0.515 24.330 -20.248 332 HZ2 LYS 44 1HZ LYS 44 -1.116 24.372 -18.667 333 HZ3 LYS 44 2HZ LYS 44 -2.138 23.955 -19.949 334 H LEU 45 H LEU 45 4.354 20.795 -18.256 335 HA LEU 45 HA LEU 45 5.932 18.388 -17.743 336 HB2 LEU 45 2HB LEU 45 6.977 21.087 -18.294 337 HB3 LEU 45 3HB LEU 45 7.677 20.269 -16.899 338 HG LEU 45 HG LEU 45 7.684 19.288 -19.751 339 HD11 LEU 45 1HD1 LEU 45 10.231 19.579 -18.416 340 HD12 LEU 45 2HD1 LEU 45 9.348 21.103 -18.473 341 HD13 LEU 45 3HD1 LEU 45 9.687 20.226 -19.964 342 HD21 LEU 45 3HD2 LEU 45 7.695 17.275 -18.722 343 HD22 LEU 45 1HD2 LEU 45 8.223 17.945 -17.179 344 HD23 LEU 45 2HD2 LEU 45 9.395 17.669 -18.468 345 H TYR 46 H TYR 46 5.267 17.701 -15.825 346 HA TYR 46 HA TYR 46 4.684 19.701 -13.741 347 HB2 TYR 46 2HB TYR 46 3.556 16.905 -14.002 348 HB3 TYR 46 3HB TYR 46 3.142 18.080 -12.757 349 HD1 TYR 46 HD1 TYR 46 1.867 20.127 -13.372 350 HD2 TYR 46 HD2 TYR 46 2.551 16.985 -16.158 351 HE1 TYR 46 HE1 TYR 46 0.065 21.007 -14.796 352 HE2 TYR 46 HE2 TYR 46 0.750 17.856 -17.590 353 HH TYR 46 HH TYR 46 -1.532 19.527 -16.864 354 H LYS 47 H LYS 47 5.163 19.059 -11.528 355 HA LYS 47 HA LYS 47 7.261 17.016 -11.296 356 HB2 LYS 47 2HB LYS 47 8.485 19.059 -11.430 357 HB3 LYS 47 3HB LYS 47 7.382 19.870 -10.327 358 HG2 LYS 47 2HG LYS 47 8.363 18.999 -8.484 359 HG3 LYS 47 3HG LYS 47 8.783 17.485 -9.287 360 HD2 LYS 47 2HD LYS 47 10.874 18.333 -9.202 361 HD3 LYS 47 3HD LYS 47 10.357 19.204 -10.647 362 HE2 LYS 47 2HE LYS 47 10.936 21.056 -9.538 363 HE3 LYS 47 3HE LYS 47 9.453 20.813 -8.616 364 HZ1 LYS 47 3HZ LYS 47 12.160 20.626 -7.753 365 HZ2 LYS 47 1HZ LYS 47 11.316 19.200 -7.411 366 HZ3 LYS 47 2HZ LYS 47 10.742 20.680 -6.831 367 H ALA 48 H ALA 48 6.683 15.577 -9.820 368 HA ALA 48 HA ALA 48 4.499 15.843 -8.095 369 HB1 ALA 48 1HB ALA 48 5.746 13.726 -8.918 370 HB2 ALA 48 2HB ALA 48 6.747 13.966 -7.486 371 HB3 ALA 48 3HB ALA 48 5.009 13.724 -7.315 372 H LYS 49 H LYS 49 4.300 17.127 -6.392 373 HA LYS 49 HA LYS 49 6.394 18.501 -5.147 374 HB2 LYS 49 2HB LYS 49 3.747 17.856 -3.850 375 HB3 LYS 49 3HB LYS 49 4.781 19.247 -3.552 376 HG2 LYS 49 2HG LYS 49 4.356 19.792 -6.046 377 HG3 LYS 49 3HG LYS 49 2.990 18.687 -5.877 378 HD2 LYS 49 2HD LYS 49 1.809 20.149 -4.640 379 HD3 LYS 49 3HD LYS 49 3.226 20.663 -3.722 380 HE2 LYS 49 2HE LYS 49 3.930 21.936 -5.800 381 HE3 LYS 49 3HE LYS 49 2.316 21.612 -6.429 382 HZ1 LYS 49 3HZ LYS 49 1.520 22.644 -4.249 383 HZ2 LYS 49 1HZ LYS 49 2.132 23.685 -5.434 384 HZ3 LYS 49 2HZ LYS 49 3.088 23.260 -4.106 385 H TYR 50 H TYR 50 4.605 15.619 -4.075 386 HA TYR 50 HA TYR 50 6.928 14.843 -2.478 387 HB2 TYR 50 2HB TYR 50 5.698 14.471 -0.490 388 HB3 TYR 50 3HB TYR 50 5.224 16.074 -1.042 389 HD1 TYR 50 HD1 TYR 50 3.132 15.902 -2.811 390 HD2 TYR 50 HD2 TYR 50 3.984 13.199 0.362 391 HE1 TYR 50 HE1 TYR 50 0.767 15.225 -2.762 392 HE2 TYR 50 HE2 TYR 50 1.623 12.513 0.420 393 HH TYR 50 HH TYR 50 -0.352 12.551 -1.474 394 H TRP 51 H TRP 51 6.547 12.558 -1.558 395 HA TRP 51 HA TRP 51 6.324 10.745 -3.616 396 HB2 TRP 51 2HB TRP 51 7.037 10.551 -1.025 397 HB3 TRP 51 3HB TRP 51 5.458 9.775 -0.951 398 HD1 TRP 51 HD1 TRP 51 8.782 9.428 -2.917 399 HE1 TRP 51 HE1 TRP 51 9.098 6.942 -3.503 400 HE3 TRP 51 HE3 TRP 51 4.370 7.596 -1.095 401 HZ2 TRP 51 HZ2 TRP 51 7.667 4.524 -3.231 402 HZ3 TRP 51 HZ3 TRP 51 3.921 5.186 -1.296 403 HH2 TRP 51 HH2 TRP 51 5.536 3.683 -2.343 404 H THR 52 H THR 52 4.652 10.332 -4.890 405 HA THR 52 HA THR 52 2.122 9.531 -3.790 406 HB THR 52 HB THR 52 2.054 11.920 -5.630 407 HG1 THR 52 HG1 THR 52 2.915 12.706 -3.739 408 HG21 THR 52 3HG2 THR 52 -0.255 11.891 -4.183 409 HG22 THR 52 1HG2 THR 52 0.078 10.167 -4.345 410 HG23 THR 52 2HG2 THR 52 -0.067 11.177 -5.784 411 H THR 53 H THR 53 0.693 8.630 -5.385 412 HA THR 53 HA THR 53 1.965 8.115 -7.991 413 HB THR 53 HB THR 53 1.259 5.808 -7.947 414 HG1 THR 53 HG1 THR 53 0.082 6.514 -5.453 415 HG21 THR 53 3HG2 THR 53 3.045 5.147 -6.767 416 HG22 THR 53 1HG2 THR 53 2.390 5.784 -5.259 417 HG23 THR 53 2HG2 THR 53 3.261 6.850 -6.363 418 H SER 54 H SER 54 0.711 9.144 -9.415 419 HA SER 54 HA SER 54 -1.861 8.293 -10.056 420 HB2 SER 54 2HB SER 54 -2.777 10.788 -9.361 421 HB3 SER 54 3HB SER 54 -3.084 9.310 -8.450 422 HG SER 54 HG SER 54 -1.005 11.192 -8.015 423 HA PRO 55 HA PRO 55 -0.797 10.513 -13.695 424 HB2 PRO 55 2HB PRO 55 -3.247 10.780 -14.833 425 HB3 PRO 55 3HB PRO 55 -2.379 9.240 -14.769 426 HG2 PRO 55 2HG PRO 55 -4.579 10.251 -13.007 427 HG3 PRO 55 3HG PRO 55 -4.357 8.635 -13.707 428 HD2 PRO 55 2HD PRO 55 -3.723 9.210 -11.137 429 HD3 PRO 55 3HD PRO 55 -2.833 8.009 -12.095 430 HA PRO 56 HA PRO 56 -1.361 14.821 -12.952 431 HB2 PRO 56 2HB PRO 56 -0.882 15.784 -15.445 432 HB3 PRO 56 3HB PRO 56 0.394 15.155 -14.396 433 HG2 PRO 56 2HG PRO 56 -1.036 13.808 -16.654 434 HG3 PRO 56 3HG PRO 56 0.693 13.794 -16.258 435 HD2 PRO 56 2HD PRO 56 -0.963 11.745 -15.631 436 HD3 PRO 56 3HD PRO 56 0.433 12.185 -14.627 437 H SER 57 H SER 57 -3.095 16.104 -12.809 438 HA SER 57 HA SER 57 -4.834 16.815 -14.849 439 HB2 SER 57 2HB SER 57 -5.783 14.696 -15.063 440 HB3 SER 57 3HB SER 57 -5.654 14.355 -13.338 441 HG SER 57 HG SER 57 -7.681 15.516 -14.724 442 H ASP 58 H ASP 58 -5.787 15.684 -11.622 443 HA ASP 58 HA ASP 58 -5.971 18.476 -10.735 444 HB2 ASP 58 2HB ASP 58 -8.166 16.464 -10.894 445 HB3 ASP 58 3HB ASP 58 -8.148 17.559 -9.515 446 H ASP 59 H ASP 59 -4.555 18.568 -9.117 447 HA ASP 59 HA ASP 59 -4.619 16.424 -7.096 448 HB2 ASP 59 2HB ASP 59 -2.222 18.129 -7.795 449 HB3 ASP 59 3HB ASP 59 -2.261 16.744 -6.707 450 HA PRO 60 HA PRO 60 -5.953 20.293 -4.997 451 HB2 PRO 60 2HB PRO 60 -7.701 19.040 -3.340 452 HB3 PRO 60 3HB PRO 60 -8.124 19.541 -4.981 453 HG2 PRO 60 2HG PRO 60 -7.319 16.839 -3.975 454 HG3 PRO 60 3HG PRO 60 -8.608 17.270 -5.114 455 HD2 PRO 60 2HD PRO 60 -6.209 16.309 -5.923 456 HD3 PRO 60 3HD PRO 60 -7.147 17.469 -6.886 457 H TYR 61 H TYR 61 -4.356 17.437 -4.105 458 HA TYR 61 HA TYR 61 -3.909 18.374 -1.358 459 HB2 TYR 61 2HB TYR 61 -2.681 15.999 -1.364 460 HB3 TYR 61 3HB TYR 61 -4.411 16.163 -1.081 461 HD1 TYR 61 HD2 TYR 61 -6.016 15.606 -2.870 462 HD2 TYR 61 HD1 TYR 61 -1.837 14.962 -3.354 463 HE1 TYR 61 HE2 TYR 61 -6.471 14.122 -4.778 464 HE2 TYR 61 HE1 TYR 61 -2.281 13.478 -5.263 465 HH TYR 61 HH TYR 61 -3.836 12.703 -6.672 466 H GLY 62 H GLY 62 -2.649 19.209 -4.079 467 HA2 GLY 62 2HA GLY 62 -0.603 19.991 -4.763 468 HA3 GLY 62 3HA GLY 62 -0.136 19.941 -3.069 469 H SER 63 H SER 63 -0.954 17.404 -5.432 470 HA SER 63 HA SER 63 1.366 15.885 -4.547 471 HB2 SER 63 2HB SER 63 -0.208 14.279 -4.796 472 HB3 SER 63 3HB SER 63 -1.184 15.275 -5.875 473 HG SER 63 HG SER 63 -0.436 14.059 -7.405 474 H TRP 64 H TRP 64 0.453 17.965 -7.094 475 HA TRP 64 HA TRP 64 2.949 17.327 -8.501 476 HB2 TRP 64 2HB TRP 64 0.190 17.507 -9.666 477 HB3 TRP 64 3HB TRP 64 1.588 17.942 -10.645 478 HD1 TRP 64 HD1 TRP 64 -0.303 14.967 -9.318 479 HE1 TRP 64 HE1 TRP 64 0.778 12.802 -10.193 480 HE3 TRP 64 HE3 TRP 64 3.977 16.940 -11.300 481 HZ2 TRP 64 HZ2 TRP 64 3.134 12.031 -11.543 482 HZ3 TRP 64 HZ3 TRP 64 5.592 15.420 -12.364 483 HH2 TRP 64 HH2 TRP 64 5.178 13.017 -12.482 484 H GLU 65 H GLU 65 3.730 19.095 -9.870 485 HA GLU 65 HA GLU 65 2.609 21.727 -9.297 486 HB2 GLU 65 2HB GLU 65 4.384 21.092 -7.558 487 HB3 GLU 65 3HB GLU 65 5.548 21.232 -8.867 488 HG2 GLU 65 2HG GLU 65 5.112 23.535 -9.140 489 HG3 GLU 65 3HG GLU 65 3.676 23.456 -8.121 490 H TYR 66 H TYR 66 2.334 22.602 -11.233 491 HA TYR 66 HA TYR 66 3.783 21.767 -13.540 492 HB2 TYR 66 2HB TYR 66 1.568 22.475 -13.934 493 HB3 TYR 66 3HB TYR 66 1.787 23.959 -13.015 494 HD1 TYR 66 HD2 TYR 66 2.932 25.876 -14.000 495 HD2 TYR 66 HD1 TYR 66 2.316 22.306 -16.230 496 HE1 TYR 66 HE2 TYR 66 3.460 27.088 -16.074 497 HE2 TYR 66 HE1 TYR 66 2.842 23.508 -18.311 498 HH TYR 66 HH TYR 66 3.615 26.976 -18.283 499 H LEU 67 H LEU 67 5.831 22.294 -13.894 500 HA LEU 67 HA LEU 67 6.867 24.845 -12.908 501 HB2 LEU 67 2HB LEU 67 8.621 22.900 -14.291 502 HB3 LEU 67 3HB LEU 67 8.943 23.913 -12.885 503 HG LEU 67 HG LEU 67 7.167 22.190 -11.821 504 HD11 LEU 67 1HD1 LEU 67 8.664 20.109 -13.114 505 HD12 LEU 67 2HD1 LEU 67 7.752 21.038 -14.303 506 HD13 LEU 67 3HD1 LEU 67 6.919 20.292 -12.939 507 HD21 LEU 67 3HD2 LEU 67 9.026 22.331 -10.557 508 HD22 LEU 67 1HD2 LEU 67 10.102 22.368 -11.956 509 HD23 LEU 67 2HD2 LEU 67 9.458 20.831 -11.380 510 H GLY 68 H GLY 68 6.294 23.071 -15.883 511 HA2 GLY 68 2HA GLY 68 6.203 25.440 -17.438 512 HA3 GLY 68 3HA GLY 68 7.737 24.617 -17.687 513 H GLU 69 H GLU 69 6.889 24.531 -19.931 514 HA GLU 69 HA GLU 69 5.118 22.201 -20.279 515 HB2 GLU 69 2HB GLU 69 4.984 24.857 -21.417 516 HB3 GLU 69 3HB GLU 69 5.124 23.645 -22.683 517 HG2 GLU 69 2HG GLU 69 3.177 22.493 -21.864 518 HG3 GLU 69 3HG GLU 69 3.072 23.584 -20.483 519 H ALA 70 H ALA 70 5.582 20.788 -22.031 520 HA ALA 70 HA ALA 70 8.241 20.065 -22.323 521 HB1 ALA 70 1HB ALA 70 5.849 19.461 -24.045 522 HB2 ALA 70 2HB ALA 70 7.432 18.728 -24.301 523 HB3 ALA 70 3HB ALA 70 6.569 18.455 -22.788 524 H GLU 71 H GLU 71 6.196 21.658 -24.781 525 HA GLU 71 HA GLU 71 8.645 22.866 -25.886 526 HB2 GLU 71 2HB GLU 71 7.759 22.617 -28.128 527 HB3 GLU 71 3HB GLU 71 7.821 21.046 -27.341 528 HG2 GLU 71 2HG GLU 71 5.319 21.711 -26.720 529 HG3 GLU 71 3HG GLU 71 5.493 22.650 -28.202 530 HA PRO 72 HA PRO 72 6.639 26.755 -25.525 531 HB2 PRO 72 2HB PRO 72 7.776 28.102 -27.589 532 HB3 PRO 72 3HB PRO 72 8.650 27.702 -26.106 533 HG2 PRO 72 2HG PRO 72 8.684 26.315 -28.759 534 HG3 PRO 72 3HG PRO 72 10.038 26.698 -27.679 535 HD2 PRO 72 2HD PRO 72 8.925 24.232 -27.805 536 HD3 PRO 72 3HD PRO 72 9.619 24.891 -26.310 537 H THR 73 H THR 73 4.770 27.665 -26.171 538 HA THR 73 HA THR 73 3.658 26.795 -28.754 539 HB THR 73 HB THR 73 2.093 27.872 -26.408 540 HG1 THR 73 HG1 THR 73 2.865 25.978 -25.636 541 HG21 THR 73 3HG2 THR 73 1.239 27.754 -28.898 542 HG22 THR 73 1HG2 THR 73 0.189 27.288 -27.560 543 HG23 THR 73 2HG2 THR 73 1.011 26.049 -28.508 Start of MODEL 23 1 H1 GLY 1 H GLY 1 30.924 3.440 -9.843 2 HA2 GLY 1 2HA GLY 1 31.306 1.778 -7.662 3 HA3 GLY 1 3HA GLY 1 32.785 2.713 -7.819 4 HA PRO 2 HA PRO 2 31.019 6.122 -5.715 5 HB2 PRO 2 2HB PRO 2 31.832 8.271 -7.161 6 HB3 PRO 2 3HB PRO 2 32.933 7.313 -6.163 7 HG2 PRO 2 2HG PRO 2 32.468 7.197 -9.118 8 HG3 PRO 2 3HG PRO 2 33.997 7.139 -8.224 9 HD2 PRO 2 2HD PRO 2 32.798 4.919 -9.206 10 HD3 PRO 2 3HD PRO 2 33.757 4.905 -7.712 11 H SER 3 H SER 3 29.262 7.510 -5.644 12 HA SER 3 HA SER 3 27.805 8.060 -8.113 13 HB2 SER 3 2HB SER 3 26.676 6.518 -5.773 14 HB3 SER 3 3HB SER 3 25.661 7.304 -6.982 15 HG SER 3 HG SER 3 26.329 5.900 -8.485 16 H THR 4 H THR 4 26.260 9.754 -7.924 17 HA THR 4 HA THR 4 26.993 11.709 -5.923 18 HB THR 4 HB THR 4 25.406 13.200 -7.157 19 HG1 THR 4 HG1 THR 4 23.958 11.949 -8.164 20 HG21 THR 4 3HG2 THR 4 27.431 13.636 -8.049 21 HG22 THR 4 1HG2 THR 4 26.803 12.768 -9.448 22 HG23 THR 4 2HG2 THR 4 27.813 11.930 -8.270 23 H SER 5 H SER 5 25.048 13.091 -5.082 24 HA SER 5 HA SER 5 23.063 11.224 -3.959 25 HB2 SER 5 2HB SER 5 23.074 13.284 -2.180 26 HB3 SER 5 3HB SER 5 24.053 11.828 -2.009 27 HG SER 5 HG SER 5 25.283 13.766 -1.805 28 H MET 6 H MET 6 20.934 11.971 -3.656 29 HA MET 6 HA MET 6 20.097 14.584 -4.397 30 HB2 MET 6 2HB MET 6 19.030 14.181 -6.473 31 HB3 MET 6 3HB MET 6 20.655 13.527 -6.633 32 HG2 MET 6 2HG MET 6 19.095 11.416 -5.685 33 HG3 MET 6 3HG MET 6 18.116 12.216 -6.912 34 HE1 MET 6 3HE MET 6 20.943 10.336 -5.822 35 HE2 MET 6 1HE MET 6 20.736 9.102 -7.065 36 HE3 MET 6 2HE MET 6 22.106 10.210 -7.142 37 H GLU 7 H GLU 7 17.508 14.225 -5.077 38 HA GLU 7 HA GLU 7 16.373 12.328 -3.154 39 HB2 GLU 7 2HB GLU 7 14.779 14.161 -2.422 40 HB3 GLU 7 3HB GLU 7 16.433 14.295 -1.843 41 HG2 GLU 7 2HG GLU 7 16.731 16.253 -2.847 42 HG3 GLU 7 3HG GLU 7 16.039 15.675 -4.362 43 H ASN 8 H ASN 8 16.517 13.075 -6.209 44 HA ASN 8 HA ASN 8 13.798 12.200 -6.746 45 HB2 ASN 8 2HB ASN 8 14.813 14.558 -8.305 46 HB3 ASN 8 3HB ASN 8 13.159 13.983 -8.117 47 HD21 ASN 8 1HD2 ASN 8 12.141 14.278 -6.040 48 HD22 ASN 8 2HD2 ASN 8 12.598 15.620 -5.053 49 H LEU 9 H LEU 9 14.443 10.321 -7.670 50 HA LEU 9 HA LEU 9 16.557 10.319 -9.665 51 HB2 LEU 9 2HB LEU 9 16.076 7.850 -9.717 52 HB3 LEU 9 3HB LEU 9 16.648 8.494 -8.180 53 HG LEU 9 HG LEU 9 13.790 8.507 -8.189 54 HD11 LEU 9 1HD1 LEU 9 13.756 6.784 -9.810 55 HD12 LEU 9 2HD1 LEU 9 13.515 6.004 -8.248 56 HD13 LEU 9 3HD1 LEU 9 15.091 5.930 -9.034 57 HD21 LEU 9 3HD2 LEU 9 15.567 8.361 -6.313 58 HD22 LEU 9 1HD2 LEU 9 15.517 6.626 -6.627 59 HD23 LEU 9 2HD2 LEU 9 14.052 7.475 -6.130 60 H VAL 10 H VAL 10 13.610 11.379 -9.881 61 HA VAL 10 HA VAL 10 12.180 9.949 -11.757 62 HB VAL 10 HB VAL 10 11.382 12.019 -10.635 63 HG11 VAL 10 1HG1 VAL 10 12.257 14.061 -10.983 64 HG12 VAL 10 2HG1 VAL 10 13.671 13.163 -11.539 65 HG13 VAL 10 3HG1 VAL 10 12.499 13.774 -12.706 66 HG21 VAL 10 3HG2 VAL 10 11.171 12.118 -13.642 67 HG22 VAL 10 1HG2 VAL 10 10.231 11.053 -12.597 68 HG23 VAL 10 2HG2 VAL 10 10.032 12.801 -12.481 69 H SER 11 H SER 11 15.052 11.878 -12.190 70 HA SER 11 HA SER 11 14.881 12.073 -15.032 71 HB2 SER 11 2HB SER 11 17.170 12.456 -13.095 72 HB3 SER 11 3HB SER 11 17.327 12.707 -14.835 73 HG SER 11 HG SER 11 16.671 14.531 -13.254 74 H LEU 12 H LEU 12 16.531 9.897 -12.785 75 HA LEU 12 HA LEU 12 17.537 8.302 -15.018 76 HB2 LEU 12 2HB LEU 12 18.652 6.999 -13.162 77 HB3 LEU 12 3HB LEU 12 19.187 8.663 -13.390 78 HG LEU 12 HG LEU 12 17.061 8.324 -11.390 79 HD11 LEU 12 1HD1 LEU 12 18.202 6.304 -10.861 80 HD12 LEU 12 2HD1 LEU 12 18.704 7.516 -9.683 81 HD13 LEU 12 3HD1 LEU 12 19.778 7.082 -11.013 82 HD21 LEU 12 3HD2 LEU 12 19.754 9.684 -11.334 83 HD22 LEU 12 1HD2 LEU 12 18.452 9.884 -10.162 84 HD23 LEU 12 2HD2 LEU 12 18.236 10.440 -11.822 85 H GLN 13 H GLN 13 14.667 8.458 -14.214 86 HA GLN 13 HA GLN 13 13.989 5.955 -13.014 87 HB2 GLN 13 2HB GLN 13 12.540 8.256 -14.161 88 HB3 GLN 13 3HB GLN 13 11.705 6.712 -14.273 89 HG2 GLN 13 2HG GLN 13 11.985 6.422 -11.839 90 HG3 GLN 13 3HG GLN 13 12.720 8.023 -11.763 91 HE21 GLN 13 1HE2 GLN 13 10.845 8.150 -10.190 92 HE22 GLN 13 2HE2 GLN 13 9.351 8.744 -10.825 93 H ASN 14 H ASN 14 14.558 7.067 -16.256 94 HA ASN 14 HA ASN 14 14.858 4.501 -17.321 95 HB2 ASN 14 2HB ASN 14 12.804 4.606 -18.878 96 HB3 ASN 14 3HB ASN 14 12.551 4.080 -17.216 97 HD21 ASN 14 1HD2 ASN 14 11.174 5.172 -15.961 98 HD22 ASN 14 2HD2 ASN 14 10.360 6.625 -16.420 99 H LEU 15 H LEU 15 16.533 6.438 -17.615 100 HA LEU 15 HA LEU 15 16.216 7.298 -20.402 101 HB2 LEU 15 2HB LEU 15 16.368 8.992 -18.075 102 HB3 LEU 15 3HB LEU 15 17.728 9.291 -19.154 103 HG LEU 15 HG LEU 15 16.105 9.683 -20.997 104 HD11 LEU 15 1HD1 LEU 15 14.217 8.954 -18.849 105 HD12 LEU 15 2HD1 LEU 15 14.097 8.732 -20.594 106 HD13 LEU 15 3HD1 LEU 15 13.752 10.307 -19.880 107 HD21 LEU 15 3HD2 LEU 15 15.756 11.433 -18.565 108 HD22 LEU 15 1HD2 LEU 15 15.420 11.894 -20.233 109 HD23 LEU 15 2HD2 LEU 15 17.074 11.539 -19.731 110 H LEU 16 H LEU 16 18.075 7.290 -21.619 111 HA LEU 16 HA LEU 16 20.517 6.349 -20.266 112 HB2 LEU 16 2HB LEU 16 19.281 4.633 -21.655 113 HB3 LEU 16 3HB LEU 16 19.698 5.606 -23.064 114 HG LEU 16 HG LEU 16 22.111 5.267 -22.472 115 HD11 LEU 16 1HD1 LEU 16 22.151 2.972 -21.023 116 HD12 LEU 16 2HD1 LEU 16 20.846 3.858 -20.233 117 HD13 LEU 16 3HD1 LEU 16 22.450 4.582 -20.365 118 HD21 LEU 16 3HD2 LEU 16 20.258 3.073 -23.278 119 HD22 LEU 16 1HD2 LEU 16 21.974 2.723 -23.066 120 HD23 LEU 16 2HD2 LEU 16 21.460 3.942 -24.233 121 H VAL 17 H VAL 17 20.402 8.946 -20.401 122 HA VAL 17 HA VAL 17 21.964 9.696 -22.787 123 HB VAL 17 HB VAL 17 21.164 12.019 -22.439 124 HG11 VAL 17 1HG1 VAL 17 19.897 11.213 -24.113 125 HG12 VAL 17 2HG1 VAL 17 19.473 9.747 -23.226 126 HG13 VAL 17 3HG1 VAL 17 18.610 11.253 -22.907 127 HG21 VAL 17 3HG2 VAL 17 18.820 11.553 -20.939 128 HG22 VAL 17 1HG2 VAL 17 20.168 10.895 -20.010 129 HG23 VAL 17 2HG2 VAL 17 20.191 12.582 -20.523 130 H TYR 18 H TYR 18 23.400 11.638 -22.365 131 HA TYR 18 HA TYR 18 24.322 11.983 -19.651 132 HB2 TYR 18 2HB TYR 18 25.890 10.428 -21.681 133 HB3 TYR 18 3HB TYR 18 26.730 11.385 -20.467 134 HD1 TYR 18 HD2 TYR 18 25.768 10.991 -17.985 135 HD2 TYR 18 HD1 TYR 18 25.528 8.208 -21.194 136 HE1 TYR 18 HE2 TYR 18 25.528 9.155 -16.366 137 HE2 TYR 18 HE1 TYR 18 25.286 6.364 -19.585 138 HH TYR 18 HH TYR 18 24.653 5.961 -17.328 139 H VAL 19 H VAL 19 24.046 14.159 -19.817 140 HA VAL 19 HA VAL 19 26.082 15.717 -20.946 141 HB VAL 19 HB VAL 19 25.142 15.247 -23.106 142 HG11 VAL 19 1HG1 VAL 19 22.851 15.622 -23.694 143 HG12 VAL 19 2HG1 VAL 19 22.886 14.598 -22.257 144 HG13 VAL 19 3HG1 VAL 19 22.505 16.314 -22.108 145 HG21 VAL 19 3HG2 VAL 19 25.433 17.814 -22.048 146 HG22 VAL 19 1HG2 VAL 19 25.457 17.353 -23.750 147 HG23 VAL 19 2HG2 VAL 19 23.948 17.870 -22.998 148 H ASN 20 H ASN 20 22.652 15.654 -20.070 149 HA ASN 20 HA ASN 20 22.932 17.453 -17.942 150 HB2 ASN 20 2HB ASN 20 23.314 19.179 -19.580 151 HB3 ASN 20 3HB ASN 20 21.907 18.674 -20.511 152 HD21 ASN 20 1HD2 ASN 20 21.430 21.002 -20.253 153 HD22 ASN 20 2HD2 ASN 20 20.550 21.494 -18.851 154 H TRP 21 H TRP 21 20.385 17.380 -20.421 155 HA TRP 21 HA TRP 21 18.665 15.933 -18.525 156 HB2 TRP 21 2HB TRP 21 16.926 17.441 -18.691 157 HB3 TRP 21 3HB TRP 21 18.308 18.531 -18.779 158 HD1 TRP 21 HD1 TRP 21 15.217 17.612 -20.604 159 HE1 TRP 21 HE1 TRP 21 15.150 18.775 -22.899 160 HE3 TRP 21 HE3 TRP 21 20.058 19.238 -20.831 161 HZ2 TRP 21 HZ2 TRP 21 16.917 20.194 -24.584 162 HZ3 TRP 21 HZ3 TRP 21 20.791 20.490 -22.818 163 HH2 TRP 21 HH2 TRP 21 19.251 20.957 -24.654 164 H SER 22 H SER 22 19.367 16.819 -21.855 165 HA SER 22 HA SER 22 18.662 15.945 -23.855 166 HB2 SER 22 2HB SER 22 20.269 14.224 -22.689 167 HB3 SER 22 3HB SER 22 18.812 13.237 -22.580 168 HG SER 22 HG SER 22 18.623 13.725 -24.931 169 H SER 23 H SER 23 16.466 16.864 -23.263 170 HA SER 23 HA SER 23 14.198 16.705 -23.327 171 HB2 SER 23 2HB SER 23 15.191 14.457 -24.857 172 HB3 SER 23 3HB SER 23 13.661 14.055 -24.078 173 HG SER 23 HG SER 23 12.994 15.035 -25.870 174 H TYR 24 H TYR 24 13.442 16.841 -21.300 175 HA TYR 24 HA TYR 24 13.893 15.153 -19.174 176 HB2 TYR 24 2HB TYR 24 12.064 17.305 -19.788 177 HB3 TYR 24 3HB TYR 24 11.268 16.076 -18.814 178 HD1 TYR 24 HD2 TYR 24 14.837 17.113 -18.716 179 HD2 TYR 24 HD1 TYR 24 11.079 17.112 -16.721 180 HE1 TYR 24 HE2 TYR 24 15.913 18.021 -16.700 181 HE2 TYR 24 HE1 TYR 24 12.144 18.021 -14.700 182 HH TYR 24 HH TYR 24 14.113 18.457 -13.694 183 HA PRO 25 HA PRO 25 11.627 11.455 -19.854 184 HB2 PRO 25 2HB PRO 25 10.944 10.799 -17.311 185 HB3 PRO 25 3HB PRO 25 12.594 10.658 -17.929 186 HG2 PRO 25 2HG PRO 25 11.375 12.825 -16.262 187 HG3 PRO 25 3HG PRO 25 12.963 12.053 -16.106 188 HD2 PRO 25 2HD PRO 25 12.630 14.474 -17.270 189 HD3 PRO 25 3HD PRO 25 13.893 13.335 -17.779 190 H LYS 26 H LYS 26 9.613 11.024 -20.505 191 HA LYS 26 HA LYS 26 7.470 12.834 -19.855 192 HB2 LYS 26 2HB LYS 26 6.733 12.193 -21.860 193 HB3 LYS 26 3HB LYS 26 8.083 11.073 -21.979 194 HG2 LYS 26 2HG LYS 26 6.705 9.376 -20.803 195 HG3 LYS 26 3HG LYS 26 5.345 10.499 -20.870 196 HD2 LYS 26 2HD LYS 26 4.923 9.302 -22.765 197 HD3 LYS 26 3HD LYS 26 5.987 10.536 -23.443 198 HE2 LYS 26 2HE LYS 26 7.246 8.862 -24.204 199 HE3 LYS 26 3HE LYS 26 7.725 8.584 -22.530 200 HZ1 LYS 26 3HZ LYS 26 5.422 7.260 -22.610 201 HZ2 LYS 26 1HZ LYS 26 6.917 6.545 -22.954 202 HZ3 LYS 26 2HZ LYS 26 5.917 7.063 -24.216 203 H TYR 27 H TYR 27 5.372 12.127 -19.074 204 HA TYR 27 HA TYR 27 5.412 10.873 -16.639 205 HB2 TYR 27 2HB TYR 27 3.478 12.101 -17.103 206 HB3 TYR 27 3HB TYR 27 3.215 11.292 -18.642 207 HD1 TYR 27 HD2 TYR 27 3.714 9.996 -15.171 208 HD2 TYR 27 HD1 TYR 27 1.178 10.205 -18.581 209 HE1 TYR 27 HE2 TYR 27 2.134 8.455 -14.084 210 HE2 TYR 27 HE1 TYR 27 -0.409 8.665 -17.504 211 HH TYR 27 HH TYR 27 0.314 7.170 -14.385 212 H GLU 28 H GLU 28 5.954 8.876 -16.092 213 HA GLU 28 HA GLU 28 5.456 6.693 -17.995 214 HB2 GLU 28 2HB GLU 28 7.780 7.336 -16.783 215 HB3 GLU 28 3HB GLU 28 7.129 6.211 -15.600 216 HG2 GLU 28 2HG GLU 28 6.722 4.878 -17.951 217 HG3 GLU 28 3HG GLU 28 8.244 5.716 -18.248 218 HA PRO 29 HA PRO 29 2.176 5.804 -14.988 219 HB2 PRO 29 2HB PRO 29 0.748 4.251 -16.697 220 HB3 PRO 29 3HB PRO 29 0.659 6.016 -16.700 221 HG2 PRO 29 2HG PRO 29 2.224 4.197 -18.488 222 HG3 PRO 29 3HG PRO 29 1.281 5.638 -18.909 223 HD2 PRO 29 2HD PRO 29 3.977 5.680 -18.667 224 HD3 PRO 29 3HD PRO 29 2.961 7.078 -18.264 225 H GLY 30 H GLY 30 2.358 4.236 -13.518 226 HA2 GLY 30 2HA GLY 30 2.240 1.882 -12.978 227 HA3 GLY 30 3HA GLY 30 3.196 1.556 -14.415 228 H LYS 31 H LYS 31 4.097 4.223 -12.418 229 HA LYS 31 HA LYS 31 6.033 2.667 -10.907 230 HB2 LYS 31 2HB LYS 31 7.474 2.989 -12.684 231 HB3 LYS 31 3HB LYS 31 6.744 4.524 -13.136 232 HG2 LYS 31 2HG LYS 31 7.841 5.659 -11.354 233 HG3 LYS 31 3HG LYS 31 8.397 4.137 -10.654 234 HD2 LYS 31 2HD LYS 31 9.305 4.150 -13.312 235 HD3 LYS 31 3HD LYS 31 9.624 5.767 -12.679 236 HE2 LYS 31 2HE LYS 31 10.938 4.922 -10.911 237 HE3 LYS 31 3HE LYS 31 10.367 3.274 -11.171 238 HZ1 LYS 31 3HZ LYS 31 12.678 4.292 -12.129 239 HZ2 LYS 31 1HZ LYS 31 11.655 4.426 -13.471 240 HZ3 LYS 31 2HZ LYS 31 11.897 2.921 -12.737 241 H GLU 32 H GLU 32 6.148 3.448 -8.910 242 HA GLU 32 HA GLU 32 4.682 5.538 -7.920 243 HB2 GLU 32 2HB GLU 32 5.909 5.346 -5.907 244 HB3 GLU 32 3HB GLU 32 5.920 3.741 -6.624 245 HG2 GLU 32 2HG GLU 32 8.193 5.001 -7.628 246 HG3 GLU 32 3HG GLU 32 8.122 5.453 -5.926 247 H TYR 33 H TYR 33 5.432 7.597 -6.947 248 HA TYR 33 HA TYR 33 7.684 8.844 -8.331 249 HB2 TYR 33 2HB TYR 33 4.821 9.760 -8.483 250 HB3 TYR 33 3HB TYR 33 6.157 10.881 -8.717 251 HD1 TYR 33 HD2 TYR 33 7.832 10.368 -10.571 252 HD2 TYR 33 HD1 TYR 33 4.067 8.414 -10.247 253 HE1 TYR 33 HE2 TYR 33 7.979 9.707 -12.936 254 HE2 TYR 33 HE1 TYR 33 4.204 7.745 -12.611 255 HH TYR 33 HH TYR 33 6.980 7.801 -14.378 256 H ASN 34 H ASN 34 8.919 9.668 -6.789 257 HA ASN 34 HA ASN 34 7.843 10.330 -4.196 258 HB2 ASN 34 2HB ASN 34 9.956 9.297 -4.096 259 HB3 ASN 34 3HB ASN 34 10.610 10.310 -5.379 260 HD21 ASN 34 1HD2 ASN 34 11.625 12.145 -4.858 261 HD22 ASN 34 2HD2 ASN 34 11.754 12.781 -3.257 262 H GLN 35 H GLN 35 8.049 12.382 -3.169 263 HA GLN 35 HA GLN 35 7.098 14.544 -4.568 264 HB2 GLN 35 2HB GLN 35 7.503 15.853 -2.655 265 HB3 GLN 35 3HB GLN 35 7.266 14.222 -2.041 266 HG2 GLN 35 2HG GLN 35 9.924 14.193 -2.339 267 HG3 GLN 35 3HG GLN 35 9.680 15.915 -2.053 268 HE21 GLN 35 1HE2 GLN 35 7.570 15.865 -0.301 269 HE22 GLN 35 2HE2 GLN 35 8.066 15.129 1.180 270 H GLY 36 H GLY 36 7.929 16.157 -5.779 271 HA2 GLY 36 2HA GLY 36 9.644 17.641 -6.486 272 HA3 GLY 36 3HA GLY 36 10.839 16.511 -5.865 273 H ASP 37 H ASP 37 9.141 14.342 -7.258 274 HA ASP 37 HA ASP 37 10.748 14.088 -9.548 275 HB2 ASP 37 2HB ASP 37 8.184 12.748 -8.702 276 HB3 ASP 37 3HB ASP 37 9.000 12.339 -10.209 277 H ILE 38 H ILE 38 10.565 14.831 -11.568 278 HA ILE 38 HA ILE 38 8.044 16.157 -12.328 279 HB ILE 38 HB ILE 38 10.851 16.976 -13.084 280 HG12 ILE 38 2HG1 ILE 38 9.390 19.084 -11.893 281 HG13 ILE 38 3HG1 ILE 38 9.142 17.667 -10.878 282 HG21 ILE 38 1HG2 ILE 38 9.824 17.723 -14.938 283 HG22 ILE 38 2HG2 ILE 38 8.220 17.614 -14.216 284 HG23 ILE 38 3HG2 ILE 38 9.244 19.010 -13.880 285 HD11 ILE 38 3HD1 ILE 38 11.640 19.160 -11.477 286 HD12 ILE 38 1HD1 ILE 38 11.020 18.563 -9.938 287 HD13 ILE 38 2HD1 ILE 38 11.738 17.441 -11.094 288 H VAL 39 H VAL 39 7.229 15.760 -14.334 289 HA VAL 39 HA VAL 39 8.814 14.197 -16.232 290 HB VAL 39 HB VAL 39 7.189 12.497 -16.538 291 HG11 VAL 39 1HG1 VAL 39 7.040 11.465 -14.289 292 HG12 VAL 39 2HG1 VAL 39 8.653 12.073 -14.672 293 HG13 VAL 39 3HG1 VAL 39 7.598 12.985 -13.591 294 HG21 VAL 39 3HG2 VAL 39 5.073 13.297 -16.424 295 HG22 VAL 39 1HG2 VAL 39 5.164 12.648 -14.786 296 HG23 VAL 39 2HG2 VAL 39 5.434 14.368 -15.071 297 H GLU 40 H GLU 40 7.759 14.047 -18.375 298 HA GLU 40 HA GLU 40 6.283 16.523 -18.931 299 HB2 GLU 40 2HB GLU 40 8.400 16.291 -20.118 300 HB3 GLU 40 3HB GLU 40 7.890 14.738 -20.766 301 HG2 GLU 40 2HG GLU 40 6.124 17.033 -21.324 302 HG3 GLU 40 3HG GLU 40 7.699 17.037 -22.116 303 H TYR 41 H TYR 41 4.209 16.431 -19.468 304 HA TYR 41 HA TYR 41 3.162 14.027 -20.772 305 HB2 TYR 41 2HB TYR 41 2.589 13.606 -18.505 306 HB3 TYR 41 3HB TYR 41 2.098 15.276 -18.242 307 HD1 TYR 41 HD2 TYR 41 -0.029 16.104 -19.218 308 HD2 TYR 41 HD1 TYR 41 1.083 12.002 -19.426 309 HE1 TYR 41 HE2 TYR 41 -2.355 15.507 -19.749 310 HE2 TYR 41 HE1 TYR 41 -1.241 11.393 -19.959 311 HH TYR 41 HH TYR 41 -3.317 12.123 -20.241 312 H ASN 42 H ASN 42 1.811 14.463 -22.403 313 HA ASN 42 HA ASN 42 0.634 15.648 -23.949 314 HB2 ASN 42 2HB ASN 42 -0.941 15.736 -21.984 315 HB3 ASN 42 3HB ASN 42 -0.280 17.324 -21.605 316 HD21 ASN 42 1HD2 ASN 42 -2.537 17.964 -21.869 317 HD22 ASN 42 2HD2 ASN 42 -3.113 18.340 -23.454 318 H GLY 43 H GLY 43 3.358 16.527 -23.221 319 HA2 GLY 43 2HA GLY 43 4.761 18.153 -24.078 320 HA3 GLY 43 3HA GLY 43 3.348 18.983 -24.712 321 H LYS 44 H LYS 44 3.392 18.162 -21.361 322 HA LYS 44 HA LYS 44 4.025 20.961 -20.690 323 HB2 LYS 44 2HB LYS 44 1.884 19.162 -19.562 324 HB3 LYS 44 3HB LYS 44 2.415 20.628 -18.750 325 HG2 LYS 44 2HG LYS 44 1.125 21.886 -20.037 326 HG3 LYS 44 3HG LYS 44 1.794 21.171 -21.505 327 HD2 LYS 44 2HD LYS 44 0.156 19.540 -21.613 328 HD3 LYS 44 3HD LYS 44 -0.207 19.647 -19.888 329 HE2 LYS 44 2HE LYS 44 -1.927 20.956 -20.407 330 HE3 LYS 44 3HE LYS 44 -0.768 22.181 -20.919 331 HZ1 LYS 44 3HZ LYS 44 -1.405 21.914 -23.008 332 HZ2 LYS 44 1HZ LYS 44 -2.611 20.844 -22.494 333 HZ3 LYS 44 2HZ LYS 44 -1.096 20.252 -22.955 334 H LEU 45 H LEU 45 4.214 20.962 -18.062 335 HA LEU 45 HA LEU 45 5.972 18.746 -17.285 336 HB2 LEU 45 2HB LEU 45 6.646 21.625 -17.495 337 HB3 LEU 45 3HB LEU 45 7.281 20.747 -16.106 338 HG LEU 45 HG LEU 45 7.780 20.089 -19.009 339 HD11 LEU 45 1HD1 LEU 45 8.933 22.057 -17.483 340 HD12 LEU 45 2HD1 LEU 45 9.655 21.292 -18.898 341 HD13 LEU 45 3HD1 LEU 45 10.044 20.702 -17.283 342 HD21 LEU 45 3HD2 LEU 45 9.482 18.521 -17.969 343 HD22 LEU 45 1HD2 LEU 45 7.791 18.039 -17.850 344 HD23 LEU 45 2HD2 LEU 45 8.607 18.739 -16.452 345 H TYR 46 H TYR 46 5.459 17.960 -15.354 346 HA TYR 46 HA TYR 46 4.123 19.728 -13.418 347 HB2 TYR 46 2HB TYR 46 3.414 16.833 -13.937 348 HB3 TYR 46 3HB TYR 46 2.653 17.896 -12.759 349 HD1 TYR 46 HD2 TYR 46 1.168 19.708 -13.497 350 HD2 TYR 46 HD1 TYR 46 2.867 16.971 -16.276 351 HE1 TYR 46 HE2 TYR 46 -0.469 20.420 -15.189 352 HE2 TYR 46 HE1 TYR 46 1.235 17.675 -17.977 353 HH TYR 46 HH TYR 46 -1.357 18.860 -17.660 354 H LYS 47 H LYS 47 4.395 19.142 -11.194 355 HA LYS 47 HA LYS 47 6.612 17.286 -10.664 356 HB2 LYS 47 2HB LYS 47 7.669 19.413 -10.605 357 HB3 LYS 47 3HB LYS 47 6.333 20.135 -9.717 358 HG2 LYS 47 2HG LYS 47 7.065 19.371 -7.719 359 HG3 LYS 47 3HG LYS 47 7.726 17.884 -8.406 360 HD2 LYS 47 2HD LYS 47 9.725 18.850 -8.100 361 HD3 LYS 47 3HD LYS 47 9.323 19.807 -9.526 362 HE2 LYS 47 2HE LYS 47 8.391 21.553 -8.098 363 HE3 LYS 47 3HE LYS 47 8.759 20.590 -6.667 364 HZ1 LYS 47 3HZ LYS 47 10.661 21.734 -6.659 365 HZ2 LYS 47 1HZ LYS 47 10.493 22.244 -8.263 366 HZ3 LYS 47 2HZ LYS 47 11.143 20.719 -7.925 367 H ALA 48 H ALA 48 5.973 15.781 -9.283 368 HA ALA 48 HA ALA 48 3.547 15.863 -7.865 369 HB1 ALA 48 1HB ALA 48 4.808 13.806 -8.570 370 HB2 ALA 48 2HB ALA 48 5.893 14.094 -7.209 371 HB3 ALA 48 3HB ALA 48 4.183 13.778 -6.921 372 H LYS 49 H LYS 49 3.070 17.080 -6.170 373 HA LYS 49 HA LYS 49 4.902 18.528 -4.639 374 HB2 LYS 49 2HB LYS 49 2.177 17.666 -3.675 375 HB3 LYS 49 3HB LYS 49 3.069 19.115 -3.230 376 HG2 LYS 49 2HG LYS 49 2.891 19.700 -5.747 377 HG3 LYS 49 3HG LYS 49 1.589 18.508 -5.752 378 HD2 LYS 49 2HD LYS 49 0.187 19.861 -4.632 379 HD3 LYS 49 3HD LYS 49 1.455 20.431 -3.543 380 HE2 LYS 49 2HE LYS 49 2.306 21.754 -5.582 381 HE3 LYS 49 3HE LYS 49 0.714 21.438 -6.270 382 HZ1 LYS 49 3HZ LYS 49 1.365 22.961 -3.817 383 HZ2 LYS 49 1HZ LYS 49 -0.202 22.415 -4.154 384 HZ3 LYS 49 2HZ LYS 49 0.559 23.504 -5.202 385 H TYR 50 H TYR 50 3.242 15.473 -3.912 386 HA TYR 50 HA TYR 50 5.396 14.810 -2.049 387 HB2 TYR 50 2HB TYR 50 3.565 13.889 -0.480 388 HB3 TYR 50 3HB TYR 50 3.863 15.623 -0.476 389 HD1 TYR 50 HD2 TYR 50 1.781 13.257 -2.498 390 HD2 TYR 50 HD1 TYR 50 1.956 16.891 -0.293 391 HE1 TYR 50 HE2 TYR 50 -0.595 13.661 -2.988 392 HE2 TYR 50 HE1 TYR 50 -0.421 17.306 -0.776 393 HH TYR 50 HH TYR 50 -2.402 16.125 -1.412 394 H TRP 51 H TRP 51 5.063 12.461 -1.253 395 HA TRP 51 HA TRP 51 5.273 10.727 -3.378 396 HB2 TRP 51 2HB TRP 51 5.624 10.471 -0.719 397 HB3 TRP 51 3HB TRP 51 4.111 9.588 -0.898 398 HD1 TRP 51 HD1 TRP 51 7.699 9.547 -2.366 399 HE1 TRP 51 HE1 TRP 51 8.274 7.116 -2.983 400 HE3 TRP 51 HE3 TRP 51 3.212 7.350 -1.278 401 HZ2 TRP 51 HZ2 TRP 51 6.996 4.599 -3.006 402 HZ3 TRP 51 HZ3 TRP 51 2.972 4.925 -1.626 403 HH2 TRP 51 HH2 TRP 51 4.825 3.581 -2.473 404 H THR 52 H THR 52 3.828 10.295 -4.903 405 HA THR 52 HA THR 52 1.247 9.238 -4.220 406 HB THR 52 HB THR 52 1.376 11.861 -5.720 407 HG1 THR 52 HG1 THR 52 -0.082 11.329 -3.351 408 HG21 THR 52 3HG2 THR 52 -0.339 10.701 -6.782 409 HG22 THR 52 1HG2 THR 52 -1.191 11.575 -5.510 410 HG23 THR 52 2HG2 THR 52 -0.819 9.862 -5.307 411 H THR 53 H THR 53 0.275 8.125 -5.922 412 HA THR 53 HA THR 53 1.873 7.961 -8.395 413 HB THR 53 HB THR 53 1.439 5.605 -8.545 414 HG1 THR 53 HG1 THR 53 0.281 4.606 -6.707 415 HG21 THR 53 3HG2 THR 53 3.245 6.520 -6.947 416 HG22 THR 53 1HG2 THR 53 2.804 4.818 -6.818 417 HG23 THR 53 2HG2 THR 53 2.168 5.985 -5.657 418 H SER 54 H SER 54 0.719 8.948 -9.929 419 HA SER 54 HA SER 54 -1.639 7.893 -10.962 420 HB2 SER 54 2HB SER 54 -2.042 9.789 -8.774 421 HB3 SER 54 3HB SER 54 -2.866 10.271 -10.256 422 HG SER 54 HG SER 54 -3.645 8.468 -8.521 423 HA PRO 55 HA PRO 55 -0.383 10.444 -14.307 424 HB2 PRO 55 2HB PRO 55 -2.700 10.612 -15.711 425 HB3 PRO 55 3HB PRO 55 -1.726 9.138 -15.638 426 HG2 PRO 55 2HG PRO 55 -4.185 9.862 -14.090 427 HG3 PRO 55 3HG PRO 55 -3.758 8.320 -14.856 428 HD2 PRO 55 2HD PRO 55 -3.468 8.759 -12.200 429 HD3 PRO 55 3HD PRO 55 -2.382 7.695 -13.116 430 HA PRO 56 HA PRO 56 -1.369 14.639 -13.387 431 HB2 PRO 56 2HB PRO 56 -0.707 15.801 -15.749 432 HB3 PRO 56 3HB PRO 56 0.498 15.198 -14.605 433 HG2 PRO 56 2HG PRO 56 -0.572 13.906 -17.084 434 HG3 PRO 56 3HG PRO 56 1.099 13.991 -16.499 435 HD2 PRO 56 2HD PRO 56 -0.443 11.788 -16.183 436 HD3 PRO 56 3HD PRO 56 0.799 12.261 -15.006 437 H SER 57 H SER 57 -3.149 15.887 -13.429 438 HA SER 57 HA SER 57 -4.741 16.446 -15.652 439 HB2 SER 57 2HB SER 57 -5.533 14.227 -15.747 440 HB3 SER 57 3HB SER 57 -5.648 14.103 -13.992 441 HG SER 57 HG SER 57 -7.686 14.505 -14.479 442 H ASP 58 H ASP 58 -5.782 15.495 -12.389 443 HA ASP 58 HA ASP 58 -6.125 18.317 -11.692 444 HB2 ASP 58 2HB ASP 58 -8.272 16.823 -12.538 445 HB3 ASP 58 3HB ASP 58 -8.352 16.634 -10.788 446 H ASP 59 H ASP 59 -5.184 18.675 -9.805 447 HA ASP 59 HA ASP 59 -4.951 16.443 -7.900 448 HB2 ASP 59 2HB ASP 59 -3.127 18.166 -6.968 449 HB3 ASP 59 3HB ASP 59 -2.758 16.985 -8.222 450 HA PRO 60 HA PRO 60 -7.896 19.367 -5.902 451 HB2 PRO 60 2HB PRO 60 -9.374 17.412 -4.735 452 HB3 PRO 60 3HB PRO 60 -9.646 17.961 -6.393 453 HG2 PRO 60 2HG PRO 60 -8.158 15.554 -5.414 454 HG3 PRO 60 3HG PRO 60 -9.293 15.693 -6.769 455 HD2 PRO 60 2HD PRO 60 -6.607 15.670 -7.114 456 HD3 PRO 60 3HD PRO 60 -7.699 16.581 -8.177 457 H TYR 61 H TYR 61 -5.699 16.965 -4.842 458 HA TYR 61 HA TYR 61 -5.944 17.897 -2.059 459 HB2 TYR 61 2HB TYR 61 -4.405 15.665 -1.864 460 HB3 TYR 61 3HB TYR 61 -6.156 15.676 -1.685 461 HD1 TYR 61 HD2 TYR 61 -3.556 15.384 -4.354 462 HD2 TYR 61 HD1 TYR 61 -7.397 14.200 -2.958 463 HE1 TYR 61 HE2 TYR 61 -3.753 13.820 -6.240 464 HE2 TYR 61 HE1 TYR 61 -7.604 12.631 -4.840 465 HH TYR 61 HH TYR 61 -6.582 12.473 -7.226 466 H GLY 62 H GLY 62 -4.123 18.246 -4.795 467 HA2 GLY 62 2HA GLY 62 -2.187 19.520 -5.036 468 HA3 GLY 62 3HA GLY 62 -1.947 19.438 -3.297 469 H SER 63 H SER 63 -2.244 16.919 -5.796 470 HA SER 63 HA SER 63 0.095 15.592 -4.672 471 HB2 SER 63 2HB SER 63 -0.558 13.674 -5.971 472 HB3 SER 63 3HB SER 63 -2.010 14.325 -5.212 473 HG SER 63 HG SER 63 -1.999 13.769 -7.595 474 H TRP 64 H TRP 64 -0.709 17.661 -7.247 475 HA TRP 64 HA TRP 64 1.952 17.250 -8.412 476 HB2 TRP 64 2HB TRP 64 -0.681 17.221 -9.849 477 HB3 TRP 64 3HB TRP 64 0.762 17.801 -10.675 478 HD1 TRP 64 HD1 TRP 64 -0.994 14.646 -9.635 479 HE1 TRP 64 HE1 TRP 64 0.366 12.604 -10.415 480 HE3 TRP 64 HE3 TRP 64 3.309 17.023 -11.042 481 HZ2 TRP 64 HZ2 TRP 64 2.924 12.071 -11.483 482 HZ3 TRP 64 HZ3 TRP 64 5.165 15.674 -11.932 483 HH2 TRP 64 HH2 TRP 64 4.975 13.249 -12.147 484 H GLU 65 H GLU 65 2.734 19.105 -9.642 485 HA GLU 65 HA GLU 65 1.354 21.626 -9.073 486 HB2 GLU 65 2HB GLU 65 3.203 21.003 -7.354 487 HB3 GLU 65 3HB GLU 65 4.318 21.423 -8.647 488 HG2 GLU 65 2HG GLU 65 3.427 23.662 -8.743 489 HG3 GLU 65 3HG GLU 65 2.204 23.257 -7.540 490 H TYR 66 H TYR 66 1.215 22.819 -10.846 491 HA TYR 66 HA TYR 66 2.512 22.070 -13.264 492 HB2 TYR 66 2HB TYR 66 0.309 23.637 -12.563 493 HB3 TYR 66 3HB TYR 66 1.440 24.766 -13.303 494 HD1 TYR 66 HD1 TYR 66 2.721 22.937 -15.298 495 HD2 TYR 66 HD2 TYR 66 -1.358 23.466 -14.208 496 HE1 TYR 66 HE1 TYR 66 2.030 22.169 -17.531 497 HE2 TYR 66 HE2 TYR 66 -2.060 22.699 -16.436 498 HH TYR 66 HH TYR 66 -1.405 21.928 -18.409 499 H LEU 67 H LEU 67 4.599 22.404 -13.631 500 HA LEU 67 HA LEU 67 5.922 24.740 -12.472 501 HB2 LEU 67 2HB LEU 67 6.896 22.167 -13.660 502 HB3 LEU 67 3HB LEU 67 7.985 23.538 -13.454 503 HG LEU 67 HG LEU 67 6.495 22.117 -11.247 504 HD11 LEU 67 1HD1 LEU 67 8.228 20.699 -12.041 505 HD12 LEU 67 2HD1 LEU 67 8.817 21.463 -10.566 506 HD13 LEU 67 3HD1 LEU 67 9.370 22.041 -12.138 507 HD21 LEU 67 3HD2 LEU 67 8.260 23.521 -9.917 508 HD22 LEU 67 1HD2 LEU 67 6.726 24.240 -10.405 509 HD23 LEU 67 2HD2 LEU 67 8.190 24.569 -11.334 510 H GLY 68 H GLY 68 4.468 23.808 -15.342 511 HA2 GLY 68 2HA GLY 68 4.508 25.924 -16.846 512 HA3 GLY 68 3HA GLY 68 6.209 25.506 -16.992 513 H GLU 69 H GLU 69 6.546 24.690 -18.948 514 HA GLU 69 HA GLU 69 5.023 22.363 -19.782 515 HB2 GLU 69 2HB GLU 69 4.629 24.998 -20.937 516 HB3 GLU 69 3HB GLU 69 5.165 23.838 -22.144 517 HG2 GLU 69 2HG GLU 69 3.307 22.447 -21.790 518 HG3 GLU 69 3HG GLU 69 2.883 23.262 -20.287 519 H ALA 70 H ALA 70 5.993 21.300 -21.685 520 HA ALA 70 HA ALA 70 8.826 21.176 -21.424 521 HB1 ALA 70 1HB ALA 70 8.670 19.537 -23.297 522 HB2 ALA 70 2HB ALA 70 7.626 19.168 -21.924 523 HB3 ALA 70 3HB ALA 70 6.943 19.880 -23.386 524 H GLU 71 H GLU 71 6.688 22.216 -24.079 525 HA GLU 71 HA GLU 71 8.979 23.675 -25.223 526 HB2 GLU 71 2HB GLU 71 6.822 22.064 -26.468 527 HB3 GLU 71 3HB GLU 71 7.297 23.530 -27.315 528 HG2 GLU 71 2HG GLU 71 9.719 22.492 -26.826 529 HG3 GLU 71 3HG GLU 71 8.768 21.010 -26.911 530 HA PRO 72 HA PRO 72 6.362 27.122 -23.964 531 HB2 PRO 72 2HB PRO 72 8.298 28.997 -24.295 532 HB3 PRO 72 3HB PRO 72 8.195 27.964 -22.864 533 HG2 PRO 72 2HG PRO 72 9.939 27.683 -25.282 534 HG3 PRO 72 3HG PRO 72 10.353 27.464 -23.572 535 HD2 PRO 72 2HD PRO 72 9.850 25.381 -25.227 536 HD3 PRO 72 3HD PRO 72 9.457 25.341 -23.496 537 H THR 73 H THR 73 5.103 28.405 -25.186 538 HA THR 73 HA THR 73 5.874 28.799 -28.003 539 HB THR 73 HB THR 73 3.259 29.237 -28.153 540 HG1 THR 73 HG1 THR 73 2.190 28.538 -26.472 541 HG21 THR 73 3HG2 THR 73 4.969 27.174 -28.851 542 HG22 THR 73 1HG2 THR 73 3.301 27.372 -29.388 543 HG23 THR 73 2HG2 THR 73 3.662 26.364 -27.986 Start of MODEL 24 1 H1 GLY 1 H GLY 1 27.013 5.270 6.947 2 HA2 GLY 1 2HA GLY 1 24.206 5.979 7.397 3 HA3 GLY 1 3HA GLY 1 25.527 7.106 7.125 4 HA PRO 2 HA PRO 2 23.001 6.572 3.216 5 HB2 PRO 2 2HB PRO 2 22.381 9.199 2.922 6 HB3 PRO 2 3HB PRO 2 21.388 8.076 3.859 7 HG2 PRO 2 2HG PRO 2 23.424 10.053 4.812 8 HG3 PRO 2 3HG PRO 2 21.825 9.682 5.482 9 HD2 PRO 2 2HD PRO 2 24.113 8.694 6.541 10 HD3 PRO 2 3HD PRO 2 22.580 7.799 6.575 11 H SER 3 H SER 3 23.889 6.809 1.231 12 HA SER 3 HA SER 3 25.782 8.899 0.641 13 HB2 SER 3 2HB SER 3 26.685 6.212 1.401 14 HB3 SER 3 3HB SER 3 27.328 6.763 -0.145 15 HG SER 3 HG SER 3 27.992 7.538 2.354 16 H THR 4 H THR 4 26.121 9.179 -1.558 17 HA THR 4 HA THR 4 25.456 9.196 -3.742 18 HB THR 4 HB THR 4 25.785 7.195 -4.958 19 HG1 THR 4 HG1 THR 4 25.018 5.363 -4.243 20 HG21 THR 4 3HG2 THR 4 27.750 8.093 -3.591 21 HG22 THR 4 1HG2 THR 4 27.888 6.447 -4.210 22 HG23 THR 4 2HG2 THR 4 27.477 6.721 -2.517 23 H SER 5 H SER 5 23.322 9.482 -1.952 24 HA SER 5 HA SER 5 21.171 7.769 -2.889 25 HB2 SER 5 2HB SER 5 19.779 8.991 -1.272 26 HB3 SER 5 3HB SER 5 21.255 8.398 -0.512 27 HG SER 5 HG SER 5 20.371 10.881 -0.601 28 H MET 6 H MET 6 19.719 8.286 -4.407 29 HA MET 6 HA MET 6 19.578 11.077 -5.323 30 HB2 MET 6 2HB MET 6 20.977 9.768 -6.880 31 HB3 MET 6 3HB MET 6 19.647 8.641 -7.113 32 HG2 MET 6 2HG MET 6 19.745 10.154 -8.968 33 HG3 MET 6 3HG MET 6 18.288 10.475 -8.030 34 HE1 MET 6 3HE MET 6 22.036 13.115 -8.271 35 HE2 MET 6 1HE MET 6 22.063 11.744 -7.162 36 HE3 MET 6 2HE MET 6 21.851 11.474 -8.892 37 H GLU 7 H GLU 7 17.571 11.821 -5.868 38 HA GLU 7 HA GLU 7 15.341 9.931 -5.495 39 HB2 GLU 7 2HB GLU 7 15.421 12.896 -4.909 40 HB3 GLU 7 3HB GLU 7 14.012 11.861 -4.721 41 HG2 GLU 7 2HG GLU 7 15.088 10.612 -2.980 42 HG3 GLU 7 3HG GLU 7 16.600 11.480 -3.237 43 H ASN 8 H ASN 8 16.187 12.991 -7.114 44 HA ASN 8 HA ASN 8 14.043 12.770 -8.998 45 HB2 ASN 8 2HB ASN 8 14.830 14.969 -8.389 46 HB3 ASN 8 3HB ASN 8 16.468 14.574 -8.904 47 HD21 ASN 8 1HD2 ASN 8 13.159 14.625 -10.181 48 HD22 ASN 8 2HD2 ASN 8 13.585 15.257 -11.732 49 H LEU 9 H LEU 9 14.672 10.517 -9.619 50 HA LEU 9 HA LEU 9 16.919 10.368 -11.478 51 HB2 LEU 9 2HB LEU 9 16.279 7.931 -11.562 52 HB3 LEU 9 3HB LEU 9 16.852 8.536 -10.010 53 HG LEU 9 HG LEU 9 14.007 8.742 -10.074 54 HD11 LEU 9 1HD1 LEU 9 13.239 6.653 -10.624 55 HD12 LEU 9 2HD1 LEU 9 14.814 5.893 -10.405 56 HD13 LEU 9 3HD1 LEU 9 14.499 6.872 -11.837 57 HD21 LEU 9 3HD2 LEU 9 15.389 8.573 -8.071 58 HD22 LEU 9 1HD2 LEU 9 15.871 6.940 -8.530 59 HD23 LEU 9 2HD2 LEU 9 14.189 7.281 -8.122 60 H VAL 10 H VAL 10 14.091 11.641 -11.831 61 HA VAL 10 HA VAL 10 12.617 10.309 -13.743 62 HB VAL 10 HB VAL 10 12.020 12.496 -12.654 63 HG11 VAL 10 1HG1 VAL 10 14.301 13.492 -13.381 64 HG12 VAL 10 2HG1 VAL 10 13.468 13.847 -14.896 65 HG13 VAL 10 3HG1 VAL 10 12.870 14.523 -13.380 66 HG21 VAL 10 3HG2 VAL 10 10.946 11.409 -14.749 67 HG22 VAL 10 1HG2 VAL 10 10.536 13.075 -14.338 68 HG23 VAL 10 2HG2 VAL 10 11.702 12.743 -15.620 69 H SER 11 H SER 11 15.663 11.969 -14.086 70 HA SER 11 HA SER 11 15.623 12.150 -16.930 71 HB2 SER 11 2HB SER 11 17.333 12.996 -14.825 72 HB3 SER 11 3HB SER 11 18.308 12.041 -15.942 73 HG SER 11 HG SER 11 16.879 14.418 -16.406 74 H LEU 12 H LEU 12 17.044 9.862 -14.627 75 HA LEU 12 HA LEU 12 17.901 8.142 -16.826 76 HB2 LEU 12 2HB LEU 12 19.379 8.662 -14.856 77 HB3 LEU 12 3HB LEU 12 18.277 7.702 -13.871 78 HG LEU 12 HG LEU 12 19.105 6.152 -16.127 79 HD11 LEU 12 1HD1 LEU 12 21.478 6.821 -14.470 80 HD12 LEU 12 2HD1 LEU 12 21.046 7.911 -15.788 81 HD13 LEU 12 3HD1 LEU 12 21.384 6.213 -16.123 82 HD21 LEU 12 3HD2 LEU 12 18.273 5.352 -13.930 83 HD22 LEU 12 1HD2 LEU 12 19.793 5.874 -13.205 84 HD23 LEU 12 2HD2 LEU 12 19.790 4.600 -14.424 85 H GLN 13 H GLN 13 15.047 8.601 -15.916 86 HA GLN 13 HA GLN 13 14.144 6.175 -14.735 87 HB2 GLN 13 2HB GLN 13 13.023 8.622 -15.169 88 HB3 GLN 13 3HB GLN 13 12.228 7.659 -16.407 89 HG2 GLN 13 2HG GLN 13 10.804 6.965 -14.869 90 HG3 GLN 13 3HG GLN 13 12.133 6.108 -14.090 91 HE21 GLN 13 1HE2 GLN 13 9.677 8.043 -13.433 92 HE22 GLN 13 2HE2 GLN 13 10.312 8.948 -12.105 93 H ASN 14 H ASN 14 14.937 7.130 -17.951 94 HA ASN 14 HA ASN 14 14.114 4.481 -18.910 95 HB2 ASN 14 2HB ASN 14 13.600 5.773 -21.141 96 HB3 ASN 14 3HB ASN 14 12.385 5.681 -19.871 97 HD21 ASN 14 1HD2 ASN 14 11.964 7.506 -18.608 98 HD22 ASN 14 2HD2 ASN 14 12.426 9.089 -19.120 99 H LEU 15 H LEU 15 15.969 7.422 -19.639 100 HA LEU 15 HA LEU 15 17.819 5.860 -21.273 101 HB2 LEU 15 2HB LEU 15 17.550 8.819 -20.787 102 HB3 LEU 15 3HB LEU 15 18.827 8.099 -21.763 103 HG LEU 15 HG LEU 15 16.047 7.427 -22.523 104 HD11 LEU 15 1HD1 LEU 15 17.192 10.118 -23.221 105 HD12 LEU 15 2HD1 LEU 15 16.025 9.877 -21.922 106 HD13 LEU 15 3HD1 LEU 15 15.585 9.487 -23.585 107 HD21 LEU 15 3HD2 LEU 15 18.302 6.780 -23.641 108 HD22 LEU 15 1HD2 LEU 15 18.236 8.413 -24.305 109 HD23 LEU 15 2HD2 LEU 15 16.940 7.269 -24.650 110 H LEU 16 H LEU 16 20.202 6.915 -20.992 111 HA LEU 16 HA LEU 16 20.887 6.394 -18.185 112 HB2 LEU 16 2HB LEU 16 22.238 5.917 -20.780 113 HB3 LEU 16 3HB LEU 16 23.261 6.290 -19.394 114 HG LEU 16 HG LEU 16 23.075 3.886 -19.742 115 HD11 LEU 16 1HD1 LEU 16 22.979 5.147 -17.397 116 HD12 LEU 16 2HD1 LEU 16 22.958 3.389 -17.534 117 HD13 LEU 16 3HD1 LEU 16 21.451 4.273 -17.298 118 HD21 LEU 16 3HD2 LEU 16 21.101 2.711 -19.839 119 HD22 LEU 16 1HD2 LEU 16 20.649 4.201 -20.666 120 HD23 LEU 16 2HD2 LEU 16 20.191 3.955 -18.981 121 H VAL 17 H VAL 17 21.941 8.454 -20.899 122 HA VAL 17 HA VAL 17 23.578 10.190 -19.516 123 HB VAL 17 HB VAL 17 23.215 11.810 -21.269 124 HG11 VAL 17 1HG1 VAL 17 23.902 10.537 -23.119 125 HG12 VAL 17 2HG1 VAL 17 24.433 9.617 -21.711 126 HG13 VAL 17 3HG1 VAL 17 22.987 9.124 -22.593 127 HG21 VAL 17 3HG2 VAL 17 20.654 10.353 -21.581 128 HG22 VAL 17 1HG2 VAL 17 21.006 12.075 -21.725 129 HG23 VAL 17 2HG2 VAL 17 21.408 10.980 -23.047 130 H TYR 18 H TYR 18 23.262 12.300 -18.656 131 HA TYR 18 HA TYR 18 20.563 12.708 -17.551 132 HB2 TYR 18 2HB TYR 18 23.137 12.612 -16.293 133 HB3 TYR 18 3HB TYR 18 22.453 14.220 -16.080 134 HD1 TYR 18 HD1 TYR 18 21.909 10.623 -15.449 135 HD2 TYR 18 HD2 TYR 18 20.598 14.587 -14.628 136 HE1 TYR 18 HE1 TYR 18 20.497 9.772 -13.624 137 HE2 TYR 18 HE2 TYR 18 19.183 13.747 -12.800 138 HH TYR 18 HH TYR 18 18.576 11.975 -11.608 139 H VAL 19 H VAL 19 23.407 14.820 -17.832 140 HA VAL 19 HA VAL 19 23.715 16.839 -18.852 141 HB VAL 19 HB VAL 19 21.074 16.502 -20.257 142 HG11 VAL 19 1HG1 VAL 19 22.266 18.681 -20.382 143 HG12 VAL 19 2HG1 VAL 19 23.625 17.847 -21.136 144 HG13 VAL 19 3HG1 VAL 19 22.058 17.895 -21.945 145 HG21 VAL 19 3HG2 VAL 19 22.121 14.455 -20.729 146 HG22 VAL 19 1HG2 VAL 19 22.507 15.485 -22.108 147 HG23 VAL 19 2HG2 VAL 19 23.715 15.200 -20.854 148 H ASN 20 H ASN 20 20.164 16.669 -18.573 149 HA ASN 20 HA ASN 20 19.922 18.178 -16.237 150 HB2 ASN 20 2HB ASN 20 20.743 19.774 -18.389 151 HB3 ASN 20 3HB ASN 20 19.019 20.090 -18.217 152 HD21 ASN 20 1HD2 ASN 20 18.456 21.579 -16.809 153 HD22 ASN 20 2HD2 ASN 20 19.420 22.152 -15.494 154 H TRP 21 H TRP 21 18.598 17.313 -19.362 155 HA TRP 21 HA TRP 21 15.997 16.881 -18.075 156 HB2 TRP 21 2HB TRP 21 14.776 17.956 -19.766 157 HB3 TRP 21 3HB TRP 21 16.121 19.052 -19.458 158 HD1 TRP 21 HD1 TRP 21 14.393 17.321 -22.220 159 HE1 TRP 21 HE1 TRP 21 15.748 17.512 -24.399 160 HE3 TRP 21 HE3 TRP 21 18.813 19.006 -20.281 161 HZ2 TRP 21 HZ2 TRP 21 18.348 18.276 -25.192 162 HZ3 TRP 21 HZ3 TRP 21 20.684 19.442 -21.817 163 HH2 TRP 21 HH2 TRP 21 20.455 19.084 -24.222 164 H SER 22 H SER 22 18.173 16.190 -20.757 165 HA SER 22 HA SER 22 18.282 14.446 -22.235 166 HB2 SER 22 2HB SER 22 17.941 12.179 -21.028 167 HB3 SER 22 3HB SER 22 19.230 13.239 -20.460 168 HG SER 22 HG SER 22 18.148 12.653 -18.655 169 H SER 23 H SER 23 16.264 15.446 -23.208 170 HA SER 23 HA SER 23 14.185 15.266 -24.131 171 HB2 SER 23 2HB SER 23 15.507 13.184 -24.967 172 HB3 SER 23 3HB SER 23 14.444 12.281 -23.888 173 HG SER 23 HG SER 23 13.834 12.769 -26.248 174 H TYR 24 H TYR 24 12.931 16.112 -22.475 175 HA TYR 24 HA TYR 24 12.131 14.931 -20.130 176 HB2 TYR 24 2HB TYR 24 10.797 16.906 -21.951 177 HB3 TYR 24 3HB TYR 24 9.954 16.319 -20.522 178 HD1 TYR 24 HD2 TYR 24 12.003 16.172 -18.494 179 HD2 TYR 24 HD1 TYR 24 11.464 19.084 -21.548 180 HE1 TYR 24 HE2 TYR 24 13.180 17.832 -17.112 181 HE2 TYR 24 HE1 TYR 24 12.642 20.751 -20.175 182 HH TYR 24 HH TYR 24 14.480 19.957 -17.498 183 HA PRO 25 HA PRO 25 9.889 11.429 -21.849 184 HB2 PRO 25 2HB PRO 25 9.630 10.142 -19.473 185 HB3 PRO 25 3HB PRO 25 11.116 10.104 -20.430 186 HG2 PRO 25 2HG PRO 25 10.437 11.793 -18.054 187 HG3 PRO 25 3HG PRO 25 11.947 10.940 -18.426 188 HD2 PRO 25 2HD PRO 25 11.635 13.598 -18.842 189 HD3 PRO 25 3HD PRO 25 12.667 12.585 -19.871 190 H LYS 26 H LYS 26 7.743 10.802 -21.831 191 HA LYS 26 HA LYS 26 5.892 12.692 -20.684 192 HB2 LYS 26 2HB LYS 26 5.538 10.255 -22.426 193 HB3 LYS 26 3HB LYS 26 4.181 11.196 -21.822 194 HG2 LYS 26 2HG LYS 26 4.588 12.942 -23.213 195 HG3 LYS 26 3HG LYS 26 6.332 12.669 -23.225 196 HD2 LYS 26 2HD LYS 26 5.471 10.422 -24.459 197 HD3 LYS 26 3HD LYS 26 4.223 11.564 -24.963 198 HE2 LYS 26 2HE LYS 26 5.744 11.923 -26.621 199 HE3 LYS 26 3HE LYS 26 6.332 13.091 -25.440 200 HZ1 LYS 26 3HZ LYS 26 8.275 12.058 -25.567 201 HZ2 LYS 26 1HZ LYS 26 7.633 10.797 -26.495 202 HZ3 LYS 26 2HZ LYS 26 7.571 10.721 -24.806 203 H TYR 27 H TYR 27 4.014 12.036 -19.422 204 HA TYR 27 HA TYR 27 4.635 10.743 -17.071 205 HB2 TYR 27 2HB TYR 27 2.688 11.769 -16.639 206 HB3 TYR 27 3HB TYR 27 2.226 11.764 -18.337 207 HD1 TYR 27 HD2 TYR 27 2.353 9.564 -15.334 208 HD2 TYR 27 HD1 TYR 27 0.484 10.399 -19.064 209 HE1 TYR 27 HE2 TYR 27 0.655 7.849 -14.861 210 HE2 TYR 27 HE1 TYR 27 -1.220 8.686 -18.601 211 HH TYR 27 HH TYR 27 -1.691 6.870 -17.267 212 H GLU 28 H GLU 28 5.026 8.697 -16.579 213 HA GLU 28 HA GLU 28 3.830 6.591 -18.260 214 HB2 GLU 28 2HB GLU 28 6.577 7.114 -17.640 215 HB3 GLU 28 3HB GLU 28 6.119 5.571 -16.932 216 HG2 GLU 28 2HG GLU 28 5.332 4.798 -19.105 217 HG3 GLU 28 3HG GLU 28 5.772 6.348 -19.819 218 HA PRO 29 HA PRO 29 1.948 5.660 -14.281 219 HB2 PRO 29 2HB PRO 29 0.167 3.876 -15.289 220 HB3 PRO 29 3HB PRO 29 -0.069 5.625 -15.381 221 HG2 PRO 29 2HG PRO 29 0.953 3.740 -17.469 222 HG3 PRO 29 3HG PRO 29 -0.195 5.081 -17.638 223 HD2 PRO 29 2HD PRO 29 2.412 5.298 -18.337 224 HD3 PRO 29 3HD PRO 29 1.474 6.668 -17.706 225 H GLY 30 H GLY 30 2.732 4.242 -12.856 226 HA2 GLY 30 2HA GLY 30 3.012 1.951 -12.147 227 HA3 GLY 30 3HA GLY 30 3.442 1.543 -13.802 228 H LYS 31 H LYS 31 4.749 4.431 -12.438 229 HA LYS 31 HA LYS 31 7.246 3.089 -11.717 230 HB2 LYS 31 2HB LYS 31 6.870 4.485 -14.155 231 HB3 LYS 31 3HB LYS 31 7.888 5.496 -13.136 232 HG2 LYS 31 2HG LYS 31 9.014 3.025 -12.809 233 HG3 LYS 31 3HG LYS 31 8.492 2.987 -14.496 234 HD2 LYS 31 2HD LYS 31 9.617 5.497 -14.215 235 HD3 LYS 31 3HD LYS 31 10.668 4.460 -13.249 236 HE2 LYS 31 2HE LYS 31 9.846 3.550 -15.964 237 HE3 LYS 31 3HE LYS 31 11.082 4.800 -15.825 238 HZ1 LYS 31 3HZ LYS 31 12.398 3.328 -14.461 239 HZ2 LYS 31 1HZ LYS 31 12.029 2.565 -15.925 240 HZ3 LYS 31 2HZ LYS 31 11.197 2.137 -14.516 241 H GLU 32 H GLU 32 7.769 3.754 -9.750 242 HA GLU 32 HA GLU 32 6.583 5.746 -8.291 243 HB2 GLU 32 2HB GLU 32 9.009 4.142 -8.056 244 HB3 GLU 32 3HB GLU 32 9.163 5.715 -7.286 245 HG2 GLU 32 2HG GLU 32 8.162 4.831 -5.522 246 HG3 GLU 32 3HG GLU 32 6.677 4.816 -6.472 247 H TYR 33 H TYR 33 6.783 7.904 -8.063 248 HA TYR 33 HA TYR 33 8.862 9.250 -9.660 249 HB2 TYR 33 2HB TYR 33 5.965 9.985 -9.258 250 HB3 TYR 33 3HB TYR 33 7.156 11.140 -9.843 251 HD1 TYR 33 HD1 TYR 33 8.566 10.320 -11.917 252 HD2 TYR 33 HD2 TYR 33 4.775 8.741 -10.802 253 HE1 TYR 33 HE1 TYR 33 8.239 9.501 -14.213 254 HE2 TYR 33 HE2 TYR 33 4.438 7.916 -13.095 255 HH TYR 33 HH TYR 33 6.829 7.578 -15.298 256 H ASN 34 H ASN 34 10.324 9.974 -8.249 257 HA ASN 34 HA ASN 34 9.613 10.785 -5.582 258 HB2 ASN 34 2HB ASN 34 12.285 11.277 -6.876 259 HB3 ASN 34 3HB ASN 34 11.924 10.985 -5.178 260 HD21 ASN 34 1HD2 ASN 34 12.163 9.515 -8.343 261 HD22 ASN 34 2HD2 ASN 34 12.365 7.893 -7.786 262 H GLN 35 H GLN 35 10.623 12.926 -4.772 263 HA GLN 35 HA GLN 35 9.237 15.049 -5.984 264 HB2 GLN 35 2HB GLN 35 10.141 16.429 -4.304 265 HB3 GLN 35 3HB GLN 35 10.006 14.842 -3.559 266 HG2 GLN 35 2HG GLN 35 12.383 14.453 -3.943 267 HG3 GLN 35 3HG GLN 35 12.521 16.037 -4.703 268 HE21 GLN 35 1HE2 GLN 35 11.586 14.450 -1.689 269 HE22 GLN 35 2HE2 GLN 35 12.102 15.728 -0.648 270 H GLY 36 H GLY 36 9.808 16.590 -7.426 271 HA2 GLY 36 2HA GLY 36 11.360 17.957 -8.600 272 HA3 GLY 36 3HA GLY 36 12.616 16.775 -8.258 273 H ASP 37 H ASP 37 10.778 14.561 -9.074 274 HA ASP 37 HA ASP 37 11.646 14.208 -11.684 275 HB2 ASP 37 2HB ASP 37 9.323 13.009 -10.182 276 HB3 ASP 37 3HB ASP 37 9.745 12.506 -11.816 277 H ILE 38 H ILE 38 10.983 14.886 -13.626 278 HA ILE 38 HA ILE 38 8.393 16.285 -13.792 279 HB ILE 38 HB ILE 38 10.938 16.981 -15.263 280 HG12 ILE 38 2HG1 ILE 38 9.867 19.148 -13.759 281 HG13 ILE 38 3HG1 ILE 38 9.948 17.748 -12.694 282 HG21 ILE 38 1HG2 ILE 38 8.959 17.340 -16.639 283 HG22 ILE 38 2HG2 ILE 38 8.220 18.284 -15.346 284 HG23 ILE 38 3HG2 ILE 38 9.672 18.877 -16.151 285 HD11 ILE 38 3HD1 ILE 38 12.182 19.091 -14.173 286 HD12 ILE 38 1HD1 ILE 38 11.986 18.873 -12.435 287 HD13 ILE 38 2HD1 ILE 38 12.345 17.486 -13.463 288 H VAL 39 H VAL 39 7.054 15.725 -15.412 289 HA VAL 39 HA VAL 39 8.090 14.127 -17.638 290 HB VAL 39 HB VAL 39 6.396 12.449 -17.451 291 HG11 VAL 39 1HG1 VAL 39 6.944 11.445 -15.237 292 HG12 VAL 39 2HG1 VAL 39 8.356 11.980 -16.152 293 HG13 VAL 39 3HG1 VAL 39 7.753 12.951 -14.808 294 HG21 VAL 39 3HG2 VAL 39 4.987 12.576 -15.217 295 HG22 VAL 39 1HG2 VAL 39 5.252 14.306 -15.432 296 HG23 VAL 39 2HG2 VAL 39 4.448 13.374 -16.695 297 H GLU 40 H GLU 40 6.843 14.211 -19.531 298 HA GLU 40 HA GLU 40 5.204 16.592 -19.742 299 HB2 GLU 40 2HB GLU 40 6.814 16.271 -21.485 300 HB3 GLU 40 3HB GLU 40 6.250 14.634 -21.785 301 HG2 GLU 40 2HG GLU 40 4.223 15.415 -22.737 302 HG3 GLU 40 3HG GLU 40 4.536 17.066 -22.205 303 H TYR 41 H TYR 41 3.050 16.669 -20.209 304 HA TYR 41 HA TYR 41 1.602 14.178 -20.676 305 HB2 TYR 41 2HB TYR 41 1.655 14.523 -18.211 306 HB3 TYR 41 3HB TYR 41 0.855 16.074 -18.440 307 HD1 TYR 41 HD2 TYR 41 0.434 12.418 -18.912 308 HD2 TYR 41 HD1 TYR 41 -1.487 16.205 -18.639 309 HE1 TYR 41 HE2 TYR 41 -1.753 11.297 -18.823 310 HE2 TYR 41 HE1 TYR 41 -3.678 15.094 -18.548 311 HH TYR 41 HH TYR 41 -4.768 13.163 -18.600 312 H ASN 42 H ASN 42 0.386 14.527 -22.401 313 HA ASN 42 HA ASN 42 -0.891 15.547 -23.984 314 HB2 ASN 42 2HB ASN 42 -2.201 15.824 -21.643 315 HB3 ASN 42 3HB ASN 42 -1.998 17.521 -22.068 316 HD21 ASN 42 1HD2 ASN 42 -4.159 15.197 -22.158 317 HD22 ASN 42 2HD2 ASN 42 -4.996 15.565 -23.625 318 H GLY 43 H GLY 43 1.775 16.647 -23.396 319 HA2 GLY 43 2HA GLY 43 2.973 18.303 -24.527 320 HA3 GLY 43 3HA GLY 43 1.459 19.121 -24.884 321 H LYS 44 H LYS 44 1.971 18.184 -21.622 322 HA LYS 44 HA LYS 44 2.571 20.987 -20.933 323 HB2 LYS 44 2HB LYS 44 1.018 18.899 -19.396 324 HB3 LYS 44 3HB LYS 44 1.459 20.473 -18.749 325 HG2 LYS 44 2HG LYS 44 0.241 21.179 -21.070 326 HG3 LYS 44 3HG LYS 44 -0.664 19.730 -20.623 327 HD2 LYS 44 2HD LYS 44 -0.434 21.113 -18.243 328 HD3 LYS 44 3HD LYS 44 -0.690 22.386 -19.438 329 HE2 LYS 44 2HE LYS 44 -2.412 19.955 -19.524 330 HE3 LYS 44 3HE LYS 44 -2.719 21.171 -18.286 331 HZ1 LYS 44 3HZ LYS 44 -3.995 22.022 -19.925 332 HZ2 LYS 44 1HZ LYS 44 -3.089 21.324 -21.171 333 HZ3 LYS 44 2HZ LYS 44 -2.537 22.728 -20.409 334 H LEU 45 H LEU 45 3.361 20.910 -18.425 335 HA LEU 45 HA LEU 45 5.413 18.849 -18.127 336 HB2 LEU 45 2HB LEU 45 5.886 21.791 -18.385 337 HB3 LEU 45 3HB LEU 45 6.971 20.799 -17.414 338 HG LEU 45 HG LEU 45 6.421 20.455 -20.361 339 HD11 LEU 45 1HD1 LEU 45 9.059 20.964 -20.138 340 HD12 LEU 45 2HD1 LEU 45 8.431 21.954 -18.821 341 HD13 LEU 45 3HD1 LEU 45 7.841 22.197 -20.464 342 HD21 LEU 45 3HD2 LEU 45 6.887 18.311 -19.520 343 HD22 LEU 45 1HD2 LEU 45 8.114 18.921 -18.409 344 HD23 LEU 45 2HD2 LEU 45 8.427 18.903 -20.145 345 H TYR 46 H TYR 46 4.982 17.989 -16.209 346 HA TYR 46 HA TYR 46 4.284 19.799 -13.989 347 HB2 TYR 46 2HB TYR 46 3.466 16.913 -14.383 348 HB3 TYR 46 3HB TYR 46 3.065 17.903 -12.985 349 HD1 TYR 46 HD1 TYR 46 1.438 19.727 -13.178 350 HD2 TYR 46 HD2 TYR 46 2.309 17.188 -16.479 351 HE1 TYR 46 HE1 TYR 46 -0.595 20.518 -14.316 352 HE2 TYR 46 HE2 TYR 46 0.281 17.973 -17.626 353 HH TYR 46 HH TYR 46 -2.186 19.524 -16.143 354 H LYS 47 H LYS 47 5.100 19.273 -11.902 355 HA LYS 47 HA LYS 47 7.377 17.411 -11.884 356 HB2 LYS 47 2HB LYS 47 8.381 19.567 -12.117 357 HB3 LYS 47 3HB LYS 47 7.325 20.261 -10.894 358 HG2 LYS 47 2HG LYS 47 8.550 19.441 -9.167 359 HG3 LYS 47 3HG LYS 47 9.072 18.016 -10.069 360 HD2 LYS 47 2HD LYS 47 11.036 19.057 -10.299 361 HD3 LYS 47 3HD LYS 47 10.218 20.111 -11.456 362 HE2 LYS 47 2HE LYS 47 11.088 21.676 -10.035 363 HE3 LYS 47 3HE LYS 47 9.522 21.405 -9.271 364 HZ1 LYS 47 3HZ LYS 47 12.027 20.029 -8.471 365 HZ2 LYS 47 1HZ LYS 47 10.531 19.953 -7.684 366 HZ3 LYS 47 2HZ LYS 47 11.407 21.400 -7.699 367 H ALA 48 H ALA 48 7.192 15.963 -10.317 368 HA ALA 48 HA ALA 48 5.131 15.998 -8.404 369 HB1 ALA 48 1HB ALA 48 7.559 14.357 -7.912 370 HB2 ALA 48 2HB ALA 48 5.854 13.922 -7.789 371 HB3 ALA 48 3HB ALA 48 6.621 14.046 -9.373 372 H LYS 49 H LYS 49 4.972 17.270 -6.689 373 HA LYS 49 HA LYS 49 7.036 18.847 -5.645 374 HB2 LYS 49 2HB LYS 49 4.552 17.957 -4.172 375 HB3 LYS 49 3HB LYS 49 5.515 19.394 -3.851 376 HG2 LYS 49 2HG LYS 49 4.911 20.129 -6.212 377 HG3 LYS 49 3HG LYS 49 3.701 18.845 -6.176 378 HD2 LYS 49 2HD LYS 49 2.362 19.974 -4.757 379 HD3 LYS 49 3HD LYS 49 3.718 20.603 -3.819 380 HE2 LYS 49 2HE LYS 49 4.152 22.100 -5.873 381 HE3 LYS 49 3HE LYS 49 2.506 21.677 -6.343 382 HZ1 LYS 49 3HZ LYS 49 1.962 23.430 -5.086 383 HZ2 LYS 49 1HZ LYS 49 3.432 23.434 -4.247 384 HZ3 LYS 49 2HZ LYS 49 2.191 22.387 -3.773 385 H TYR 50 H TYR 50 5.635 15.818 -4.417 386 HA TYR 50 HA TYR 50 8.161 15.267 -3.055 387 HB2 TYR 50 2HB TYR 50 7.164 14.797 -0.953 388 HB3 TYR 50 3HB TYR 50 6.526 16.360 -1.448 389 HD1 TYR 50 HD2 TYR 50 4.277 16.076 -2.963 390 HD2 TYR 50 HD1 TYR 50 5.649 13.367 0.018 391 HE1 TYR 50 HE2 TYR 50 1.984 15.232 -2.681 392 HE2 TYR 50 HE1 TYR 50 3.360 12.516 0.306 393 HH TYR 50 HH TYR 50 1.188 12.466 -1.387 394 H TRP 51 H TRP 51 7.977 12.960 -2.019 395 HA TRP 51 HA TRP 51 7.779 11.100 -4.040 396 HB2 TRP 51 2HB TRP 51 8.634 11.008 -1.482 397 HB3 TRP 51 3HB TRP 51 7.127 10.110 -1.325 398 HD1 TRP 51 HD1 TRP 51 10.377 10.000 -3.436 399 HE1 TRP 51 HE1 TRP 51 10.862 7.540 -4.015 400 HE3 TRP 51 HE3 TRP 51 6.207 7.851 -1.405 401 HZ2 TRP 51 HZ2 TRP 51 9.639 5.021 -3.658 402 HZ3 TRP 51 HZ3 TRP 51 5.940 5.410 -1.567 403 HH2 TRP 51 HH2 TRP 51 7.622 4.026 -2.671 404 H THR 52 H THR 52 6.067 10.577 -5.221 405 HA THR 52 HA THR 52 3.669 9.600 -3.977 406 HB THR 52 HB THR 52 3.356 11.995 -5.787 407 HG1 THR 52 HG1 THR 52 4.074 12.944 -3.978 408 HG21 THR 52 3HG2 THR 52 1.544 10.075 -4.495 409 HG22 THR 52 1HG2 THR 52 1.297 11.084 -5.920 410 HG23 THR 52 2HG2 THR 52 1.083 11.766 -4.307 411 H THR 53 H THR 53 2.263 8.532 -5.453 412 HA THR 53 HA THR 53 3.374 8.144 -8.153 413 HB THR 53 HB THR 53 2.033 5.770 -7.170 414 HG1 THR 53 HG1 THR 53 4.303 6.725 -5.735 415 HG21 THR 53 3HG2 THR 53 4.487 4.937 -7.741 416 HG22 THR 53 1HG2 THR 53 4.577 6.516 -8.520 417 HG23 THR 53 2HG2 THR 53 3.335 5.362 -9.007 418 H SER 54 H SER 54 1.910 9.031 -9.468 419 HA SER 54 HA SER 54 -0.584 7.911 -9.942 420 HB2 SER 54 2HB SER 54 -1.649 8.707 -8.069 421 HB3 SER 54 3HB SER 54 -0.585 10.107 -7.927 422 HG SER 54 HG SER 54 -2.611 10.797 -8.592 423 HA PRO 55 HA PRO 55 -0.085 10.343 -13.564 424 HB2 PRO 55 2HB PRO 55 -2.636 10.371 -14.494 425 HB3 PRO 55 3HB PRO 55 -1.607 8.936 -14.558 426 HG2 PRO 55 2HG PRO 55 -3.747 9.648 -12.589 427 HG3 PRO 55 3HG PRO 55 -3.413 8.088 -13.364 428 HD2 PRO 55 2HD PRO 55 -2.633 8.654 -10.834 429 HD3 PRO 55 3HD PRO 55 -1.702 7.586 -11.904 430 HA PRO 56 HA PRO 56 -1.056 14.544 -12.669 431 HB2 PRO 56 2HB PRO 56 -1.007 15.595 -15.173 432 HB3 PRO 56 3HB PRO 56 0.453 15.103 -14.310 433 HG2 PRO 56 2HG PRO 56 -1.089 13.635 -16.413 434 HG3 PRO 56 3HG PRO 56 0.665 13.814 -16.234 435 HD2 PRO 56 2HD PRO 56 -0.657 11.578 -15.469 436 HD3 PRO 56 3HD PRO 56 0.797 12.161 -14.633 437 H SER 57 H SER 57 -2.880 15.651 -12.302 438 HA SER 57 HA SER 57 -4.946 16.117 -14.111 439 HB2 SER 57 2HB SER 57 -5.726 13.933 -14.124 440 HB3 SER 57 3HB SER 57 -5.253 13.644 -12.450 441 HG SER 57 HG SER 57 -7.566 13.896 -12.849 442 H ASP 58 H ASP 58 -5.131 15.090 -10.707 443 HA ASP 58 HA ASP 58 -5.544 17.878 -9.914 444 HB2 ASP 58 2HB ASP 58 -7.742 16.489 -10.319 445 HB3 ASP 58 3HB ASP 58 -7.350 15.796 -8.748 446 H ASP 59 H ASP 59 -4.136 18.306 -8.362 447 HA ASP 59 HA ASP 59 -3.330 16.134 -6.544 448 HB2 ASP 59 2HB ASP 59 -1.397 17.914 -6.121 449 HB3 ASP 59 3HB ASP 59 -1.326 16.768 -7.456 450 HA PRO 60 HA PRO 60 -5.808 18.990 -3.914 451 HB2 PRO 60 2HB PRO 60 -6.863 17.007 -2.388 452 HB3 PRO 60 3HB PRO 60 -7.563 17.506 -3.933 453 HG2 PRO 60 2HG PRO 60 -5.777 15.182 -3.325 454 HG3 PRO 60 3HG PRO 60 -7.219 15.245 -4.355 455 HD2 PRO 60 2HD PRO 60 -4.706 15.316 -5.360 456 HD3 PRO 60 3HD PRO 60 -6.066 16.161 -6.128 457 H TYR 61 H TYR 61 -3.287 16.741 -3.427 458 HA TYR 61 HA TYR 61 -2.893 17.689 -0.667 459 HB2 TYR 61 2HB TYR 61 -1.209 15.568 -0.865 460 HB3 TYR 61 3HB TYR 61 -2.862 15.461 -0.269 461 HD1 TYR 61 HD1 TYR 61 -0.789 15.080 -3.328 462 HD2 TYR 61 HD2 TYR 61 -4.449 14.133 -1.378 463 HE1 TYR 61 HE1 TYR 61 -1.325 13.485 -5.121 464 HE2 TYR 61 HE2 TYR 61 -4.994 12.534 -3.164 465 HH TYR 61 HH TYR 61 -3.784 12.499 -6.032 466 H GLY 62 H GLY 62 -1.845 18.146 -3.763 467 HA2 GLY 62 2HA GLY 62 -0.109 19.493 -4.508 468 HA3 GLY 62 3HA GLY 62 0.523 19.532 -2.869 469 H SER 63 H SER 63 -0.111 16.864 -5.140 470 HA SER 63 HA SER 63 2.520 15.772 -4.522 471 HB2 SER 63 2HB SER 63 0.897 14.083 -4.453 472 HB3 SER 63 3HB SER 63 0.066 14.693 -5.884 473 HG SER 63 HG SER 63 1.233 13.344 -6.974 474 H TRP 64 H TRP 64 1.133 17.780 -6.816 475 HA TRP 64 HA TRP 64 3.435 17.406 -8.587 476 HB2 TRP 64 2HB TRP 64 0.540 17.315 -9.389 477 HB3 TRP 64 3HB TRP 64 1.768 17.863 -10.527 478 HD1 TRP 64 HD1 TRP 64 0.224 14.759 -9.134 479 HE1 TRP 64 HE1 TRP 64 1.407 12.684 -10.092 480 HE3 TRP 64 HE3 TRP 64 4.260 17.045 -11.281 481 HZ2 TRP 64 HZ2 TRP 64 3.743 12.094 -11.562 482 HZ3 TRP 64 HZ3 TRP 64 5.924 15.653 -12.443 483 HH2 TRP 64 HH2 TRP 64 5.668 13.229 -12.579 484 H GLU 65 H GLU 65 3.806 19.267 -10.015 485 HA GLU 65 HA GLU 65 2.483 21.745 -9.243 486 HB2 GLU 65 2HB GLU 65 4.474 21.353 -7.713 487 HB3 GLU 65 3HB GLU 65 5.490 21.540 -9.135 488 HG2 GLU 65 2HG GLU 65 4.449 23.794 -9.466 489 HG3 GLU 65 3HG GLU 65 3.678 23.592 -7.895 490 H TYR 66 H TYR 66 1.934 22.690 -11.083 491 HA TYR 66 HA TYR 66 3.090 22.001 -13.585 492 HB2 TYR 66 2HB TYR 66 0.819 22.638 -13.649 493 HB3 TYR 66 3HB TYR 66 1.114 24.100 -12.716 494 HD1 TYR 66 HD2 TYR 66 2.044 26.090 -13.779 495 HD2 TYR 66 HD1 TYR 66 1.254 22.567 -16.030 496 HE1 TYR 66 HE2 TYR 66 2.239 27.383 -15.861 497 HE2 TYR 66 HE1 TYR 66 1.449 23.850 -18.119 498 HH TYR 66 HH TYR 66 2.155 27.334 -18.075 499 H LEU 67 H LEU 67 5.050 22.616 -14.201 500 HA LEU 67 HA LEU 67 6.088 25.212 -13.319 501 HB2 LEU 67 2HB LEU 67 7.665 23.115 -14.765 502 HB3 LEU 67 3HB LEU 67 8.246 24.401 -13.708 503 HG LEU 67 HG LEU 67 6.809 21.882 -12.873 504 HD11 LEU 67 1HD1 LEU 67 9.640 22.770 -12.919 505 HD12 LEU 67 2HD1 LEU 67 8.949 21.167 -13.168 506 HD13 LEU 67 3HD1 LEU 67 9.096 21.820 -11.537 507 HD21 LEU 67 3HD2 LEU 67 7.503 22.809 -10.556 508 HD22 LEU 67 1HD2 LEU 67 6.045 23.430 -11.330 509 HD23 LEU 67 2HD2 LEU 67 7.537 24.370 -11.377 510 H GLY 68 H GLY 68 4.617 23.784 -15.969 511 HA2 GLY 68 2HA GLY 68 4.402 25.882 -17.615 512 HA3 GLY 68 3HA GLY 68 6.027 25.330 -17.987 513 H GLU 69 H GLU 69 5.071 25.072 -20.160 514 HA GLU 69 HA GLU 69 3.710 22.468 -20.391 515 HB2 GLU 69 2HB GLU 69 2.951 25.043 -21.432 516 HB3 GLU 69 3HB GLU 69 3.245 23.925 -22.756 517 HG2 GLU 69 2HG GLU 69 1.617 22.403 -21.947 518 HG3 GLU 69 3HG GLU 69 1.463 23.279 -20.425 519 H ALA 70 H ALA 70 4.271 21.168 -22.201 520 HA ALA 70 HA ALA 70 6.974 20.948 -22.742 521 HB1 ALA 70 1HB ALA 70 6.236 19.523 -24.699 522 HB2 ALA 70 2HB ALA 70 5.610 19.060 -23.116 523 HB3 ALA 70 3HB ALA 70 4.580 19.933 -24.251 524 H GLU 71 H GLU 71 4.447 22.459 -24.731 525 HA GLU 71 HA GLU 71 6.583 23.778 -26.275 526 HB2 GLU 71 2HB GLU 71 3.907 22.724 -27.167 527 HB3 GLU 71 3HB GLU 71 4.786 23.926 -28.101 528 HG2 GLU 71 2HG GLU 71 6.724 22.325 -28.136 529 HG3 GLU 71 3HG GLU 71 5.635 21.119 -27.453 530 HA PRO 72 HA PRO 72 4.625 27.307 -24.269 531 HB2 PRO 72 2HB PRO 72 6.622 29.041 -24.882 532 HB3 PRO 72 3HB PRO 72 6.718 27.904 -23.531 533 HG2 PRO 72 2HG PRO 72 7.891 27.687 -26.277 534 HG3 PRO 72 3HG PRO 72 8.625 27.292 -24.712 535 HD2 PRO 72 2HD PRO 72 7.595 25.403 -26.355 536 HD3 PRO 72 3HD PRO 72 7.565 25.250 -24.586 537 H THR 73 H THR 73 3.656 29.216 -25.024 538 HA THR 73 HA THR 73 2.950 29.182 -27.804 539 HB THR 73 HB THR 73 1.871 31.497 -26.971 540 HG1 THR 73 HG1 THR 73 2.041 31.704 -24.880 541 HG21 THR 73 3HG2 THR 73 -0.071 30.021 -26.114 542 HG22 THR 73 1HG2 THR 73 0.952 28.666 -26.591 543 HG23 THR 73 2HG2 THR 73 0.438 29.850 -27.794 Start of MODEL 25 1 H1 GLY 1 H GLY 1 34.392 5.416 -2.158 2 HA2 GLY 1 2HA GLY 1 33.444 4.285 -3.985 3 HA3 GLY 1 3HA GLY 1 32.354 3.835 -2.682 4 HA PRO 2 HA PRO 2 28.955 5.754 -4.667 5 HB2 PRO 2 2HB PRO 2 27.683 7.072 -2.663 6 HB3 PRO 2 3HB PRO 2 27.689 5.310 -2.801 7 HG2 PRO 2 2HG PRO 2 29.376 7.082 -1.075 8 HG3 PRO 2 3HG PRO 2 28.576 5.553 -0.665 9 HD2 PRO 2 2HD PRO 2 31.216 5.705 -1.248 10 HD3 PRO 2 3HD PRO 2 30.232 4.280 -1.638 11 H SER 3 H SER 3 28.051 7.719 -5.449 12 HA SER 3 HA SER 3 29.190 10.247 -4.650 13 HB2 SER 3 2HB SER 3 29.635 9.368 -7.505 14 HB3 SER 3 3HB SER 3 30.270 10.803 -6.701 15 HG SER 3 HG SER 3 31.395 9.262 -5.287 16 H THR 4 H THR 4 28.297 12.055 -6.022 17 HA THR 4 HA THR 4 26.507 13.199 -6.843 18 HB THR 4 HB THR 4 25.552 10.613 -8.068 19 HG1 THR 4 HG1 THR 4 27.547 12.414 -9.026 20 HG21 THR 4 3HG2 THR 4 24.147 12.733 -8.134 21 HG22 THR 4 1HG2 THR 4 24.505 11.980 -9.687 22 HG23 THR 4 2HG2 THR 4 25.401 13.409 -9.174 23 H SER 5 H SER 5 25.361 13.737 -5.052 24 HA SER 5 HA SER 5 23.384 11.800 -4.054 25 HB2 SER 5 2HB SER 5 23.321 13.633 -2.134 26 HB3 SER 5 3HB SER 5 24.567 12.386 -2.166 27 HG SER 5 HG SER 5 25.438 14.487 -1.858 28 H MET 6 H MET 6 21.248 12.243 -4.116 29 HA MET 6 HA MET 6 20.201 14.880 -4.425 30 HB2 MET 6 2HB MET 6 19.361 14.776 -6.634 31 HB3 MET 6 3HB MET 6 21.049 14.298 -6.746 32 HG2 MET 6 2HG MET 6 19.734 11.910 -6.362 33 HG3 MET 6 3HG MET 6 18.645 12.819 -7.406 34 HE1 MET 6 3HE MET 6 19.870 10.204 -9.136 35 HE2 MET 6 1HE MET 6 21.602 10.152 -8.808 36 HE3 MET 6 2HE MET 6 20.452 10.201 -7.471 37 H GLU 7 H GLU 7 17.731 14.389 -5.453 38 HA GLU 7 HA GLU 7 16.625 12.046 -4.130 39 HB2 GLU 7 2HB GLU 7 16.171 14.863 -3.235 40 HB3 GLU 7 3HB GLU 7 14.850 13.710 -3.120 41 HG2 GLU 7 2HG GLU 7 16.557 12.217 -1.895 42 HG3 GLU 7 3HG GLU 7 17.480 13.707 -1.702 43 H ASN 8 H ASN 8 16.880 13.438 -6.855 44 HA ASN 8 HA ASN 8 14.165 12.828 -7.700 45 HB2 ASN 8 2HB ASN 8 15.311 15.369 -8.773 46 HB3 ASN 8 3HB ASN 8 13.627 14.887 -8.597 47 HD21 ASN 8 1HD2 ASN 8 12.710 14.907 -6.464 48 HD22 ASN 8 2HD2 ASN 8 13.316 16.011 -5.281 49 H LEU 9 H LEU 9 15.113 11.044 -8.734 50 HA LEU 9 HA LEU 9 17.122 11.531 -10.784 51 HB2 LEU 9 2HB LEU 9 17.288 9.164 -10.981 52 HB3 LEU 9 3HB LEU 9 17.254 9.569 -9.266 53 HG LEU 9 HG LEU 9 14.611 8.955 -10.315 54 HD11 LEU 9 1HD1 LEU 9 14.898 6.653 -10.773 55 HD12 LEU 9 2HD1 LEU 9 16.591 6.691 -10.280 56 HD13 LEU 9 3HD1 LEU 9 16.084 7.507 -11.759 57 HD21 LEU 9 3HD2 LEU 9 16.140 7.516 -8.173 58 HD22 LEU 9 1HD2 LEU 9 14.401 7.776 -8.309 59 HD23 LEU 9 2HD2 LEU 9 15.466 9.124 -7.908 60 H VAL 10 H VAL 10 14.082 12.245 -10.796 61 HA VAL 10 HA VAL 10 12.724 10.838 -12.740 62 HB VAL 10 HB VAL 10 11.793 12.725 -11.388 63 HG11 VAL 10 1HG1 VAL 10 12.363 14.890 -11.690 64 HG12 VAL 10 2HG1 VAL 10 13.862 14.184 -12.298 65 HG13 VAL 10 3HG1 VAL 10 12.605 14.697 -13.425 66 HG21 VAL 10 3HG2 VAL 10 10.813 11.720 -13.568 67 HG22 VAL 10 1HG2 VAL 10 10.129 13.213 -12.927 68 HG23 VAL 10 2HG2 VAL 10 11.256 13.269 -14.283 69 H SER 11 H SER 11 15.343 13.115 -13.105 70 HA SER 11 HA SER 11 15.124 13.860 -15.748 71 HB2 SER 11 2HB SER 11 17.858 13.123 -14.897 72 HB3 SER 11 3HB SER 11 17.242 14.655 -15.520 73 HG SER 11 HG SER 11 17.113 15.322 -13.544 74 H LEU 12 H LEU 12 16.280 10.821 -14.409 75 HA LEU 12 HA LEU 12 16.674 9.791 -17.135 76 HB2 LEU 12 2HB LEU 12 17.676 8.778 -14.480 77 HB3 LEU 12 3HB LEU 12 17.905 7.940 -16.014 78 HG LEU 12 HG LEU 12 19.074 10.143 -16.746 79 HD11 LEU 12 1HD1 LEU 12 20.148 10.612 -14.155 80 HD12 LEU 12 2HD1 LEU 12 18.395 10.785 -14.080 81 HD13 LEU 12 3HD1 LEU 12 19.326 11.738 -15.233 82 HD21 LEU 12 3HD2 LEU 12 21.194 9.284 -15.978 83 HD22 LEU 12 1HD2 LEU 12 20.149 7.940 -16.440 84 HD23 LEU 12 2HD2 LEU 12 20.391 8.323 -14.735 85 H GLN 13 H GLN 13 15.869 8.182 -14.071 86 HA GLN 13 HA GLN 13 14.286 6.638 -13.537 87 HB2 GLN 13 2HB GLN 13 12.948 8.785 -14.895 88 HB3 GLN 13 3HB GLN 13 12.152 7.265 -15.283 89 HG2 GLN 13 2HG GLN 13 11.675 6.819 -13.024 90 HG3 GLN 13 3HG GLN 13 12.785 8.067 -12.463 91 HE21 GLN 13 1HE2 GLN 13 10.482 8.271 -11.340 92 HE22 GLN 13 2HE2 GLN 13 9.487 9.501 -12.033 93 H ASN 14 H ASN 14 16.086 6.254 -15.937 94 HA ASN 14 HA ASN 14 15.268 3.690 -16.656 95 HB2 ASN 14 2HB ASN 14 14.775 4.247 -19.138 96 HB3 ASN 14 3HB ASN 14 13.488 4.472 -17.957 97 HD21 ASN 14 1HD2 ASN 14 12.348 6.174 -18.519 98 HD22 ASN 14 2HD2 ASN 14 12.981 7.701 -19.022 99 H LEU 15 H LEU 15 17.007 2.639 -17.398 100 HA LEU 15 HA LEU 15 19.092 2.219 -18.202 101 HB2 LEU 15 2HB LEU 15 17.912 3.982 -20.019 102 HB3 LEU 15 3HB LEU 15 19.528 4.624 -19.732 103 HG LEU 15 HG LEU 15 20.231 2.122 -20.204 104 HD11 LEU 15 1HD1 LEU 15 18.826 1.090 -21.901 105 HD12 LEU 15 2HD1 LEU 15 17.648 2.393 -21.737 106 HD13 LEU 15 3HD1 LEU 15 17.938 1.292 -20.390 107 HD21 LEU 15 3HD2 LEU 15 21.001 4.033 -21.475 108 HD22 LEU 15 1HD2 LEU 15 19.460 4.117 -22.331 109 HD23 LEU 15 2HD2 LEU 15 20.528 2.734 -22.571 110 H LEU 16 H LEU 16 21.285 3.713 -18.736 111 HA LEU 16 HA LEU 16 21.676 5.318 -16.297 112 HB2 LEU 16 2HB LEU 16 23.708 3.517 -17.605 113 HB3 LEU 16 3HB LEU 16 23.931 4.456 -16.131 114 HG LEU 16 HG LEU 16 21.905 2.241 -16.371 115 HD11 LEU 16 1HD1 LEU 16 24.801 2.137 -15.586 116 HD12 LEU 16 2HD1 LEU 16 23.939 1.132 -16.749 117 HD13 LEU 16 3HD1 LEU 16 23.629 0.945 -15.023 118 HD21 LEU 16 3HD2 LEU 16 21.300 3.441 -14.514 119 HD22 LEU 16 1HD2 LEU 16 22.948 3.980 -14.189 120 HD23 LEU 16 2HD2 LEU 16 22.468 2.326 -13.804 121 H VAL 17 H VAL 17 20.912 6.767 -18.320 122 HA VAL 17 HA VAL 17 22.891 7.533 -20.193 123 HB VAL 17 HB VAL 17 21.488 9.589 -20.490 124 HG11 VAL 17 1HG1 VAL 17 21.128 7.313 -21.611 125 HG12 VAL 17 2HG1 VAL 17 19.758 7.137 -20.512 126 HG13 VAL 17 3HG1 VAL 17 19.801 8.473 -21.663 127 HG21 VAL 17 3HG2 VAL 17 19.392 9.788 -19.320 128 HG22 VAL 17 1HG2 VAL 17 19.694 8.286 -18.447 129 HG23 VAL 17 2HG2 VAL 17 20.699 9.702 -18.141 130 H TYR 18 H TYR 18 23.799 9.778 -20.304 131 HA TYR 18 HA TYR 18 24.269 11.117 -17.787 132 HB2 TYR 18 2HB TYR 18 26.363 9.461 -19.137 133 HB3 TYR 18 3HB TYR 18 26.845 10.949 -18.330 134 HD1 TYR 18 HD1 TYR 18 25.874 11.209 -15.870 135 HD2 TYR 18 HD2 TYR 18 26.371 7.508 -17.908 136 HE1 TYR 18 HE1 TYR 18 25.909 10.032 -13.711 137 HE2 TYR 18 HE2 TYR 18 26.406 6.320 -15.755 138 HH TYR 18 HH TYR 18 25.393 6.898 -13.317 139 H VAL 19 H VAL 19 23.514 13.004 -18.629 140 HA VAL 19 HA VAL 19 25.248 14.657 -20.070 141 HB VAL 19 HB VAL 19 24.775 13.378 -22.036 142 HG11 VAL 19 1HG1 VAL 19 22.767 12.241 -21.359 143 HG12 VAL 19 2HG1 VAL 19 21.865 13.758 -21.345 144 HG13 VAL 19 3HG1 VAL 19 22.454 13.095 -22.870 145 HG21 VAL 19 3HG2 VAL 19 24.333 16.086 -21.837 146 HG22 VAL 19 1HG2 VAL 19 24.527 15.177 -23.337 147 HG23 VAL 19 2HG2 VAL 19 22.913 15.513 -22.713 148 H ASN 20 H ASN 20 24.684 16.721 -19.711 149 HA ASN 20 HA ASN 20 22.506 17.369 -18.072 150 HB2 ASN 20 2HB ASN 20 24.751 18.655 -18.653 151 HB3 ASN 20 3HB ASN 20 23.713 19.467 -19.821 152 HD21 ASN 20 1HD2 ASN 20 23.976 21.418 -18.703 153 HD22 ASN 20 2HD2 ASN 20 23.141 21.730 -17.223 154 H TRP 21 H TRP 21 20.429 17.322 -18.595 155 HA TRP 21 HA TRP 21 18.471 17.622 -19.711 156 HB2 TRP 21 2HB TRP 21 18.735 19.877 -20.071 157 HB3 TRP 21 3HB TRP 21 20.247 19.668 -20.951 158 HD1 TRP 21 HD1 TRP 21 16.526 20.008 -21.464 159 HE1 TRP 21 HE1 TRP 21 16.011 20.050 -23.986 160 HE3 TRP 21 HE3 TRP 21 21.123 18.667 -23.254 161 HZ2 TRP 21 HZ2 TRP 21 17.373 19.576 -26.413 162 HZ3 TRP 21 HZ3 TRP 21 21.434 18.484 -25.688 163 HH2 TRP 21 HH2 TRP 21 19.596 18.928 -27.233 164 H SER 22 H SER 22 17.344 16.655 -21.370 165 HA SER 22 HA SER 22 18.319 15.989 -23.893 166 HB2 SER 22 2HB SER 22 19.054 14.100 -21.734 167 HB3 SER 22 3HB SER 22 18.390 13.373 -23.197 168 HG SER 22 HG SER 22 20.522 13.537 -23.604 169 H SER 23 H SER 23 16.038 16.894 -23.737 170 HA SER 23 HA SER 23 13.784 16.650 -23.956 171 HB2 SER 23 2HB SER 23 14.238 13.770 -24.682 172 HB3 SER 23 3HB SER 23 13.081 14.915 -25.360 173 HG SER 23 HG SER 23 14.551 15.596 -26.708 174 H TYR 24 H TYR 24 13.176 16.864 -21.808 175 HA TYR 24 HA TYR 24 13.331 15.037 -19.769 176 HB2 TYR 24 2HB TYR 24 11.420 17.236 -20.411 177 HB3 TYR 24 3HB TYR 24 11.017 16.145 -19.090 178 HD1 TYR 24 HD1 TYR 24 14.470 17.097 -19.956 179 HD2 TYR 24 HD2 TYR 24 11.183 17.770 -17.340 180 HE1 TYR 24 HE1 TYR 24 15.935 18.382 -18.455 181 HE2 TYR 24 HE2 TYR 24 12.638 19.057 -15.832 182 HH TYR 24 HH TYR 24 14.740 19.665 -15.378 183 HA PRO 25 HA PRO 25 10.713 11.654 -20.774 184 HB2 PRO 25 2HB PRO 25 10.020 10.836 -18.280 185 HB3 PRO 25 3HB PRO 25 11.632 10.585 -18.960 186 HG2 PRO 25 2HG PRO 25 10.683 12.702 -17.067 187 HG3 PRO 25 3HG PRO 25 12.184 11.759 -17.029 188 HD2 PRO 25 2HD PRO 25 12.083 14.299 -17.960 189 HD3 PRO 25 3HD PRO 25 13.207 13.089 -18.608 190 H LYS 26 H LYS 26 8.529 10.935 -20.746 191 HA LYS 26 HA LYS 26 6.624 13.071 -20.086 192 HB2 LYS 26 2HB LYS 26 5.674 12.654 -22.063 193 HB3 LYS 26 3HB LYS 26 6.978 11.522 -22.399 194 HG2 LYS 26 2HG LYS 26 5.623 9.750 -21.279 195 HG3 LYS 26 3HG LYS 26 4.295 10.908 -21.185 196 HD2 LYS 26 2HD LYS 26 5.536 10.592 -23.842 197 HD3 LYS 26 3HD LYS 26 4.654 9.189 -23.237 198 HE2 LYS 26 2HE LYS 26 2.789 10.900 -22.695 199 HE3 LYS 26 3HE LYS 26 3.650 11.951 -23.818 200 HZ1 LYS 26 3HZ LYS 26 2.943 10.780 -25.566 201 HZ2 LYS 26 1HZ LYS 26 1.777 10.146 -24.517 202 HZ3 LYS 26 2HZ LYS 26 3.203 9.286 -24.816 203 H TYR 27 H TYR 27 4.504 12.439 -19.266 204 HA TYR 27 HA TYR 27 4.576 10.990 -16.940 205 HB2 TYR 27 2HB TYR 27 2.650 12.190 -16.976 206 HB3 TYR 27 3HB TYR 27 2.437 11.988 -18.712 207 HD1 TYR 27 HD1 TYR 27 2.009 10.278 -15.448 208 HD2 TYR 27 HD2 TYR 27 0.942 10.381 -19.566 209 HE1 TYR 27 HE1 TYR 27 0.260 8.599 -15.031 210 HE2 TYR 27 HE2 TYR 27 -0.811 8.704 -19.159 211 HH TYR 27 HH TYR 27 -1.347 6.957 -17.542 212 H GLU 28 H GLU 28 5.004 8.923 -16.586 213 HA GLU 28 HA GLU 28 4.025 6.932 -18.527 214 HB2 GLU 28 2HB GLU 28 6.670 7.411 -17.592 215 HB3 GLU 28 3HB GLU 28 6.148 5.861 -16.947 216 HG2 GLU 28 2HG GLU 28 6.114 6.659 -19.849 217 HG3 GLU 28 3HG GLU 28 7.303 5.613 -19.076 218 HA PRO 29 HA PRO 29 1.648 5.743 -14.905 219 HB2 PRO 29 2HB PRO 29 0.068 3.981 -16.236 220 HB3 PRO 29 3HB PRO 29 -0.196 5.729 -16.277 221 HG2 PRO 29 2HG PRO 29 1.154 3.969 -18.288 222 HG3 PRO 29 3HG PRO 29 0.008 5.297 -18.553 223 HD2 PRO 29 2HD PRO 29 2.681 5.595 -18.868 224 HD3 PRO 29 3HD PRO 29 1.631 6.914 -18.310 225 H GLY 30 H GLY 30 2.271 4.275 -13.453 226 HA2 GLY 30 2HA GLY 30 2.505 1.956 -12.820 227 HA3 GLY 30 3HA GLY 30 3.166 1.636 -14.416 228 H LYS 31 H LYS 31 4.207 4.477 -12.757 229 HA LYS 31 HA LYS 31 6.613 3.145 -11.760 230 HB2 LYS 31 2HB LYS 31 6.543 4.645 -14.163 231 HB3 LYS 31 3HB LYS 31 7.387 5.625 -12.971 232 HG2 LYS 31 2HG LYS 31 8.517 3.166 -12.596 233 HG3 LYS 31 3HG LYS 31 8.228 3.188 -14.337 234 HD2 LYS 31 2HD LYS 31 9.245 5.706 -13.801 235 HD3 LYS 31 3HD LYS 31 10.185 4.640 -12.755 236 HE2 LYS 31 2HE LYS 31 9.745 3.832 -15.585 237 HE3 LYS 31 3HE LYS 31 10.906 5.116 -15.248 238 HZ1 LYS 31 3HZ LYS 31 12.346 3.686 -14.317 239 HZ2 LYS 31 1HZ LYS 31 11.514 2.523 -15.221 240 HZ3 LYS 31 2HZ LYS 31 11.140 2.751 -13.587 241 H GLU 32 H GLU 32 6.797 3.710 -9.701 242 HA GLU 32 HA GLU 32 5.393 5.640 -8.357 243 HB2 GLU 32 2HB GLU 32 7.602 3.907 -7.788 244 HB3 GLU 32 3HB GLU 32 7.920 5.487 -7.086 245 HG2 GLU 32 2HG GLU 32 6.823 4.093 -5.471 246 HG3 GLU 32 3HG GLU 32 5.742 5.401 -5.951 247 H TYR 33 H TYR 33 5.596 7.779 -7.924 248 HA TYR 33 HA TYR 33 7.867 9.190 -9.165 249 HB2 TYR 33 2HB TYR 33 4.947 9.950 -9.103 250 HB3 TYR 33 3HB TYR 33 6.221 11.103 -9.485 251 HD1 TYR 33 HD2 TYR 33 7.839 10.392 -11.419 252 HD2 TYR 33 HD1 TYR 33 3.966 8.737 -10.817 253 HE1 TYR 33 HE2 TYR 33 7.787 9.675 -13.770 254 HE2 TYR 33 HE1 TYR 33 3.903 8.014 -13.167 255 HH TYR 33 HH TYR 33 6.432 7.676 -15.054 256 H ASN 34 H ASN 34 9.127 9.841 -7.543 257 HA ASN 34 HA ASN 34 8.087 10.477 -4.942 258 HB2 ASN 34 2HB ASN 34 10.876 11.165 -5.800 259 HB3 ASN 34 3HB ASN 34 10.300 10.594 -4.236 260 HD21 ASN 34 1HD2 ASN 34 11.061 9.662 -7.520 261 HD22 ASN 34 2HD2 ASN 34 11.265 7.977 -7.198 262 H GLN 35 H GLN 35 8.890 12.573 -3.874 263 HA GLN 35 HA GLN 35 7.636 14.748 -5.139 264 HB2 GLN 35 2HB GLN 35 8.224 16.019 -3.252 265 HB3 GLN 35 3HB GLN 35 8.046 14.379 -2.642 266 HG2 GLN 35 2HG GLN 35 10.641 15.756 -3.298 267 HG3 GLN 35 3HG GLN 35 9.991 15.464 -1.684 268 HE21 GLN 35 1HE2 GLN 35 9.167 12.940 -1.724 269 HE22 GLN 35 2HE2 GLN 35 10.469 11.856 -2.062 270 H GLY 36 H GLY 36 8.387 16.448 -6.314 271 HA2 GLY 36 2HA GLY 36 10.038 17.899 -7.182 272 HA3 GLY 36 3HA GLY 36 11.272 16.746 -6.698 273 H ASP 37 H ASP 37 9.581 14.558 -7.939 274 HA ASP 37 HA ASP 37 10.907 14.422 -10.407 275 HB2 ASP 37 2HB ASP 37 8.510 12.941 -9.325 276 HB3 ASP 37 3HB ASP 37 9.222 12.576 -10.895 277 H ILE 38 H ILE 38 10.449 15.174 -12.380 278 HA ILE 38 HA ILE 38 7.795 16.381 -12.815 279 HB ILE 38 HB ILE 38 10.449 17.338 -13.895 280 HG12 ILE 38 2HG1 ILE 38 8.898 19.284 -12.438 281 HG13 ILE 38 3HG1 ILE 38 9.158 17.855 -11.444 282 HG21 ILE 38 1HG2 ILE 38 8.563 19.282 -14.399 283 HG22 ILE 38 2HG2 ILE 38 9.231 18.152 -15.577 284 HG23 ILE 38 3HG2 ILE 38 7.711 17.782 -14.765 285 HD11 ILE 38 3HD1 ILE 38 10.863 19.804 -11.393 286 HD12 ILE 38 1HD1 ILE 38 11.437 18.137 -11.404 287 HD13 ILE 38 2HD1 ILE 38 11.454 19.085 -12.891 288 H VAL 39 H VAL 39 6.731 15.876 -14.656 289 HA VAL 39 HA VAL 39 8.158 14.384 -16.743 290 HB VAL 39 HB VAL 39 6.506 12.685 -16.894 291 HG11 VAL 39 1HG1 VAL 39 7.219 13.168 -14.005 292 HG12 VAL 39 2HG1 VAL 39 6.586 11.649 -14.643 293 HG13 VAL 39 3HG1 VAL 39 8.150 12.253 -15.190 294 HG21 VAL 39 3HG2 VAL 39 4.435 13.622 -16.577 295 HG22 VAL 39 1HG2 VAL 39 4.631 12.755 -15.055 296 HG23 VAL 39 2HG2 VAL 39 4.928 14.492 -15.126 297 H GLU 40 H GLU 40 7.158 14.437 -18.816 298 HA GLU 40 HA GLU 40 5.583 16.854 -19.227 299 HB2 GLU 40 2HB GLU 40 7.548 16.561 -20.626 300 HB3 GLU 40 3HB GLU 40 6.955 15.002 -21.181 301 HG2 GLU 40 2HG GLU 40 5.103 17.221 -21.627 302 HG3 GLU 40 3HG GLU 40 6.632 17.358 -22.492 303 H TYR 41 H TYR 41 3.472 16.847 -19.625 304 HA TYR 41 HA TYR 41 2.219 14.454 -20.752 305 HB2 TYR 41 2HB TYR 41 1.884 14.145 -18.396 306 HB3 TYR 41 3HB TYR 41 1.380 15.819 -18.190 307 HD1 TYR 41 HD1 TYR 41 -0.834 16.553 -19.014 308 HD2 TYR 41 HD2 TYR 41 0.351 12.469 -19.146 309 HE1 TYR 41 HE1 TYR 41 -3.181 15.889 -19.335 310 HE2 TYR 41 HE2 TYR 41 -1.992 11.794 -19.469 311 HH TYR 41 HH TYR 41 -4.413 13.156 -18.760 312 H ASN 42 H ASN 42 0.886 14.958 -22.358 313 HA ASN 42 HA ASN 42 -0.332 16.179 -23.842 314 HB2 ASN 42 2HB ASN 42 -1.247 17.247 -21.189 315 HB3 ASN 42 3HB ASN 42 -1.873 17.934 -22.685 316 HD21 ASN 42 1HD2 ASN 42 -3.949 17.202 -22.120 317 HD22 ASN 42 2HD2 ASN 42 -4.394 15.543 -22.302 318 H GLY 43 H GLY 43 2.361 17.052 -23.343 319 HA2 GLY 43 2HA GLY 43 3.692 18.763 -24.135 320 HA3 GLY 43 3HA GLY 43 2.231 19.611 -24.618 321 H LYS 44 H LYS 44 2.516 18.571 -21.339 322 HA LYS 44 HA LYS 44 3.106 21.345 -20.531 323 HB2 LYS 44 2HB LYS 44 1.251 19.347 -19.225 324 HB3 LYS 44 3HB LYS 44 1.690 20.899 -18.525 325 HG2 LYS 44 2HG LYS 44 0.813 21.614 -21.015 326 HG3 LYS 44 3HG LYS 44 -0.244 20.257 -20.611 327 HD2 LYS 44 2HD LYS 44 -1.118 21.333 -18.745 328 HD3 LYS 44 3HD LYS 44 0.251 22.440 -18.620 329 HE2 LYS 44 2HE LYS 44 -1.112 23.922 -19.601 330 HE3 LYS 44 3HE LYS 44 -0.741 23.050 -21.087 331 HZ1 LYS 44 3HZ LYS 44 -2.946 22.811 -21.217 332 HZ2 LYS 44 1HZ LYS 44 -3.197 23.155 -19.579 333 HZ3 LYS 44 2HZ LYS 44 -2.754 21.594 -20.057 334 H LEU 45 H LEU 45 3.565 21.190 -17.945 335 HA LEU 45 HA LEU 45 5.441 19.000 -17.445 336 HB2 LEU 45 2HB LEU 45 6.095 21.887 -17.686 337 HB3 LEU 45 3HB LEU 45 6.908 20.965 -16.422 338 HG LEU 45 HG LEU 45 7.001 20.391 -19.383 339 HD11 LEU 45 1HD1 LEU 45 8.817 21.662 -19.491 340 HD12 LEU 45 2HD1 LEU 45 9.510 20.908 -18.056 341 HD13 LEU 45 3HD1 LEU 45 8.403 22.270 -17.888 342 HD21 LEU 45 3HD2 LEU 45 7.768 18.832 -17.007 343 HD22 LEU 45 1HD2 LEU 45 8.986 18.933 -18.279 344 HD23 LEU 45 2HD2 LEU 45 7.381 18.298 -18.643 345 H TYR 46 H TYR 46 4.709 18.113 -15.633 346 HA TYR 46 HA TYR 46 3.775 19.891 -13.477 347 HB2 TYR 46 2HB TYR 46 2.993 17.021 -14.023 348 HB3 TYR 46 3HB TYR 46 2.407 18.004 -12.686 349 HD1 TYR 46 HD2 TYR 46 0.914 19.936 -13.135 350 HD2 TYR 46 HD1 TYR 46 2.072 17.238 -16.214 351 HE1 TYR 46 HE2 TYR 46 -0.929 20.757 -14.540 352 HE2 TYR 46 HE1 TYR 46 0.233 18.052 -17.629 353 HH TYR 46 HH TYR 46 -1.856 20.712 -16.573 354 H LYS 47 H LYS 47 4.279 19.289 -11.304 355 HA LYS 47 HA LYS 47 6.550 17.437 -11.036 356 HB2 LYS 47 2HB LYS 47 7.540 19.609 -11.011 357 HB3 LYS 47 3HB LYS 47 6.301 20.232 -9.929 358 HG2 LYS 47 2HG LYS 47 7.273 19.352 -8.080 359 HG3 LYS 47 3HG LYS 47 7.934 17.966 -8.950 360 HD2 LYS 47 2HD LYS 47 9.901 19.023 -8.831 361 HD3 LYS 47 3HD LYS 47 9.263 20.103 -10.073 362 HE2 LYS 47 2HE LYS 47 8.409 21.590 -8.312 363 HE3 LYS 47 3HE LYS 47 9.095 20.520 -7.090 364 HZ1 LYS 47 3HZ LYS 47 10.868 21.845 -7.252 365 HZ2 LYS 47 1HZ LYS 47 10.391 22.494 -8.739 366 HZ3 LYS 47 2HZ LYS 47 11.208 21.015 -8.687 367 H ALA 48 H ALA 48 6.151 15.902 -9.595 368 HA ALA 48 HA ALA 48 3.835 15.843 -7.994 369 HB1 ALA 48 1HB ALA 48 6.298 14.178 -7.540 370 HB2 ALA 48 2HB ALA 48 4.623 13.773 -7.160 371 HB3 ALA 48 3HB ALA 48 5.149 13.865 -8.841 372 H LYS 49 H LYS 49 3.444 17.025 -6.250 373 HA LYS 49 HA LYS 49 5.341 18.518 -4.841 374 HB2 LYS 49 2HB LYS 49 2.721 17.559 -3.694 375 HB3 LYS 49 3HB LYS 49 3.599 19.030 -3.294 376 HG2 LYS 49 2HG LYS 49 3.219 19.657 -5.769 377 HG3 LYS 49 3HG LYS 49 1.973 18.407 -5.724 378 HD2 LYS 49 2HD LYS 49 0.582 19.680 -4.505 379 HD3 LYS 49 3HD LYS 49 1.881 20.255 -3.456 380 HE2 LYS 49 2HE LYS 49 2.590 21.704 -5.441 381 HE3 LYS 49 3HE LYS 49 1.012 21.323 -6.126 382 HZ1 LYS 49 3HZ LYS 49 1.368 22.508 -3.432 383 HZ2 LYS 49 1HZ LYS 49 -0.070 22.354 -4.310 384 HZ3 LYS 49 2HZ LYS 49 1.124 23.434 -4.827 385 H TYR 50 H TYR 50 3.830 15.405 -4.037 386 HA TYR 50 HA TYR 50 6.136 14.782 -2.353 387 HB2 TYR 50 2HB TYR 50 4.858 14.170 -0.455 388 HB3 TYR 50 3HB TYR 50 4.249 15.748 -0.943 389 HD1 TYR 50 HD2 TYR 50 2.255 15.508 -2.789 390 HD2 TYR 50 HD1 TYR 50 3.262 12.651 0.200 391 HE1 TYR 50 HE2 TYR 50 -0.027 14.597 -2.898 392 HE2 TYR 50 HE1 TYR 50 0.983 11.733 0.097 393 HH TYR 50 HH TYR 50 -0.986 11.947 -2.171 394 H TRP 51 H TRP 51 5.940 12.419 -1.570 395 HA TRP 51 HA TRP 51 6.004 10.716 -3.732 396 HB2 TRP 51 2HB TRP 51 6.592 10.452 -1.104 397 HB3 TRP 51 3HB TRP 51 5.119 9.489 -1.188 398 HD1 TRP 51 HD1 TRP 51 8.584 9.675 -2.916 399 HE1 TRP 51 HE1 TRP 51 9.239 7.293 -3.637 400 HE3 TRP 51 HE3 TRP 51 4.311 7.215 -1.566 401 HZ2 TRP 51 HZ2 TRP 51 8.096 4.712 -3.634 402 HZ3 TRP 51 HZ3 TRP 51 4.172 4.790 -1.959 403 HH2 TRP 51 HH2 TRP 51 6.026 3.567 -2.972 404 H THR 52 H THR 52 4.435 10.250 -5.117 405 HA THR 52 HA THR 52 1.962 9.111 -4.200 406 HB THR 52 HB THR 52 1.729 11.619 -5.860 407 HG1 THR 52 HG1 THR 52 2.349 12.386 -3.897 408 HG21 THR 52 3HG2 THR 52 -0.643 11.236 -4.581 409 HG22 THR 52 1HG2 THR 52 -0.116 9.573 -4.837 410 HG23 THR 52 2HG2 THR 52 -0.283 10.666 -6.211 411 H THR 53 H THR 53 0.721 8.164 -5.910 412 HA THR 53 HA THR 53 2.130 7.997 -8.489 413 HB THR 53 HB THR 53 1.611 5.610 -8.629 414 HG1 THR 53 HG1 THR 53 -0.191 5.427 -7.321 415 HG21 THR 53 3HG2 THR 53 3.562 6.781 -7.037 416 HG22 THR 53 1HG2 THR 53 3.545 5.117 -7.622 417 HG23 THR 53 2HG2 THR 53 2.892 5.499 -6.029 418 H SER 54 H SER 54 0.810 8.965 -9.895 419 HA SER 54 HA SER 54 -1.620 7.869 -10.693 420 HB2 SER 54 2HB SER 54 -1.828 9.797 -8.488 421 HB3 SER 54 3HB SER 54 -2.846 10.189 -9.872 422 HG SER 54 HG SER 54 -4.135 8.706 -9.158 423 HA PRO 55 HA PRO 55 -0.748 10.453 -14.134 424 HB2 PRO 55 2HB PRO 55 -3.196 10.580 -15.301 425 HB3 PRO 55 3HB PRO 55 -2.192 9.127 -15.331 426 HG2 PRO 55 2HG PRO 55 -4.498 9.798 -13.545 427 HG3 PRO 55 3HG PRO 55 -4.120 8.266 -14.357 428 HD2 PRO 55 2HD PRO 55 -3.576 8.702 -11.740 429 HD3 PRO 55 3HD PRO 55 -2.566 7.662 -12.765 430 HA PRO 56 HA PRO 56 -1.715 14.621 -13.067 431 HB2 PRO 56 2HB PRO 56 -1.241 15.818 -15.456 432 HB3 PRO 56 3HB PRO 56 0.051 15.222 -14.408 433 HG2 PRO 56 2HG PRO 56 -1.176 13.941 -16.820 434 HG3 PRO 56 3HG PRO 56 0.532 14.046 -16.356 435 HD2 PRO 56 2HD PRO 56 -0.952 11.816 -15.957 436 HD3 PRO 56 3HD PRO 56 0.365 12.295 -14.866 437 H SER 57 H SER 57 -3.544 15.772 -12.920 438 HA SER 57 HA SER 57 -5.283 16.410 -15.002 439 HB2 SER 57 2HB SER 57 -7.243 14.917 -14.079 440 HB3 SER 57 3HB SER 57 -6.111 14.259 -15.260 441 HG SER 57 HG SER 57 -6.271 12.783 -13.617 442 H ASP 58 H ASP 58 -5.981 15.227 -11.713 443 HA ASP 58 HA ASP 58 -6.473 17.984 -10.859 444 HB2 ASP 58 2HB ASP 58 -8.499 15.902 -11.212 445 HB3 ASP 58 3HB ASP 58 -8.505 16.606 -9.597 446 H ASP 59 H ASP 59 -5.306 18.327 -9.100 447 HA ASP 59 HA ASP 59 -4.766 16.062 -7.297 448 HB2 ASP 59 2HB ASP 59 -2.913 17.809 -6.518 449 HB3 ASP 59 3HB ASP 59 -2.652 16.724 -7.881 450 HA PRO 60 HA PRO 60 -7.590 18.802 -4.902 451 HB2 PRO 60 2HB PRO 60 -8.846 16.755 -3.637 452 HB3 PRO 60 3HB PRO 60 -9.323 17.331 -5.238 453 HG2 PRO 60 2HG PRO 60 -7.637 14.971 -4.499 454 HG3 PRO 60 3HG PRO 60 -8.920 15.092 -5.717 455 HD2 PRO 60 2HD PRO 60 -6.291 15.197 -6.356 456 HD3 PRO 60 3HD PRO 60 -7.531 16.084 -7.266 457 H TYR 61 H TYR 61 -5.180 16.489 -4.167 458 HA TYR 61 HA TYR 61 -5.159 17.329 -1.343 459 HB2 TYR 61 2HB TYR 61 -3.501 15.177 -1.391 460 HB3 TYR 61 3HB TYR 61 -5.221 15.090 -1.027 461 HD1 TYR 61 HD1 TYR 61 -2.918 15.021 -3.970 462 HD2 TYR 61 HD2 TYR 61 -6.512 13.581 -2.207 463 HE1 TYR 61 HE1 TYR 61 -3.238 13.501 -5.877 464 HE2 TYR 61 HE2 TYR 61 -6.841 12.056 -4.108 465 HH TYR 61 HH TYR 61 -4.698 11.053 -6.053 466 H GLY 62 H GLY 62 -3.681 17.867 -4.246 467 HA2 GLY 62 2HA GLY 62 -1.839 19.219 -4.676 468 HA3 GLY 62 3HA GLY 62 -1.426 19.149 -2.969 469 H SER 63 H SER 63 -1.818 16.630 -5.456 470 HA SER 63 HA SER 63 0.676 15.419 -4.563 471 HB2 SER 63 2HB SER 63 0.017 13.489 -5.845 472 HB3 SER 63 3HB SER 63 -1.395 14.047 -4.948 473 HG SER 63 HG SER 63 -1.028 13.839 -7.624 474 H TRP 64 H TRP 64 -0.407 17.528 -6.976 475 HA TRP 64 HA TRP 64 2.149 17.255 -8.383 476 HB2 TRP 64 2HB TRP 64 -0.592 17.169 -9.611 477 HB3 TRP 64 3HB TRP 64 0.783 17.772 -10.532 478 HD1 TRP 64 HD1 TRP 64 -0.909 14.605 -9.508 479 HE1 TRP 64 HE1 TRP 64 0.434 12.577 -10.354 480 HE3 TRP 64 HE3 TRP 64 3.375 17.005 -10.928 481 HZ2 TRP 64 HZ2 TRP 64 2.974 12.065 -11.473 482 HZ3 TRP 64 HZ3 TRP 64 5.215 15.674 -11.876 483 HH2 TRP 64 HH2 TRP 64 5.016 13.255 -12.142 484 H GLU 65 H GLU 65 2.739 19.170 -9.627 485 HA GLU 65 HA GLU 65 1.265 21.608 -9.005 486 HB2 GLU 65 2HB GLU 65 3.138 21.010 -7.249 487 HB3 GLU 65 3HB GLU 65 4.210 21.641 -8.492 488 HG2 GLU 65 2HG GLU 65 2.965 23.752 -8.481 489 HG3 GLU 65 3HG GLU 65 1.928 23.120 -7.204 490 H TYR 66 H TYR 66 0.983 22.528 -10.917 491 HA TYR 66 HA TYR 66 2.600 21.980 -13.183 492 HB2 TYR 66 2HB TYR 66 0.359 22.529 -13.649 493 HB3 TYR 66 3HB TYR 66 0.403 23.960 -12.624 494 HD1 TYR 66 HD2 TYR 66 1.401 26.035 -13.426 495 HD2 TYR 66 HD1 TYR 66 1.233 22.583 -15.909 496 HE1 TYR 66 HE2 TYR 66 1.907 27.429 -15.389 497 HE2 TYR 66 HE1 TYR 66 1.740 23.967 -17.878 498 HH TYR 66 HH TYR 66 2.546 27.379 -17.566 499 H LEU 67 H LEU 67 4.603 22.697 -13.443 500 HA LEU 67 HA LEU 67 5.371 25.282 -12.299 501 HB2 LEU 67 2HB LEU 67 7.257 23.343 -13.582 502 HB3 LEU 67 3HB LEU 67 7.589 24.567 -12.358 503 HG LEU 67 HG LEU 67 6.099 21.979 -11.918 504 HD11 LEU 67 1HD1 LEU 67 8.229 21.219 -11.973 505 HD12 LEU 67 2HD1 LEU 67 8.233 21.832 -10.320 506 HD13 LEU 67 3HD1 LEU 67 8.923 22.803 -11.621 507 HD21 LEU 67 3HD2 LEU 67 6.959 23.192 -9.511 508 HD22 LEU 67 1HD2 LEU 67 5.309 22.884 -10.055 509 HD23 LEU 67 2HD2 LEU 67 6.094 24.415 -10.443 510 H GLY 68 H GLY 68 5.079 23.567 -15.339 511 HA2 GLY 68 2HA GLY 68 4.928 25.971 -16.836 512 HA3 GLY 68 3HA GLY 68 6.517 25.245 -17.026 513 H GLU 69 H GLU 69 5.864 25.122 -19.304 514 HA GLU 69 HA GLU 69 4.324 22.665 -19.802 515 HB2 GLU 69 2HB GLU 69 3.808 25.342 -20.771 516 HB3 GLU 69 3HB GLU 69 4.089 24.235 -22.108 517 HG2 GLU 69 2HG GLU 69 2.285 22.868 -21.502 518 HG3 GLU 69 3HG GLU 69 2.167 23.594 -19.899 519 H ALA 70 H ALA 70 4.900 21.530 -21.767 520 HA ALA 70 HA ALA 70 7.680 21.248 -22.093 521 HB1 ALA 70 1HB ALA 70 5.361 20.243 -23.724 522 HB2 ALA 70 2HB ALA 70 7.038 19.816 -24.064 523 HB3 ALA 70 3HB ALA 70 6.309 19.366 -22.523 524 H GLU 71 H GLU 71 5.229 22.708 -24.221 525 HA GLU 71 HA GLU 71 7.417 24.100 -25.620 526 HB2 GLU 71 2HB GLU 71 5.021 22.686 -26.661 527 HB3 GLU 71 3HB GLU 71 5.489 24.171 -27.477 528 HG2 GLU 71 2HG GLU 71 7.669 23.284 -27.956 529 HG3 GLU 71 3HG GLU 71 7.328 21.838 -27.007 530 HA PRO 72 HA PRO 72 5.161 27.548 -23.793 531 HB2 PRO 72 2HB PRO 72 7.122 29.365 -24.265 532 HB3 PRO 72 3HB PRO 72 7.164 28.240 -22.904 533 HG2 PRO 72 2HG PRO 72 8.550 28.062 -25.551 534 HG3 PRO 72 3HG PRO 72 9.180 27.708 -23.933 535 HD2 PRO 72 2HD PRO 72 8.361 25.768 -25.635 536 HD3 PRO 72 3HD PRO 72 8.203 25.621 -23.873 537 H THR 73 H THR 73 3.689 28.729 -24.828 538 HA THR 73 HA THR 73 3.692 28.976 -27.670 539 HB THR 73 HB THR 73 1.902 30.356 -25.661 540 HG1 THR 73 HG1 THR 73 1.363 27.996 -27.155 541 HG21 THR 73 3HG2 THR 73 2.045 30.363 -28.584 542 HG22 THR 73 1HG2 THR 73 1.219 31.471 -27.489 543 HG23 THR 73 2HG2 THR 73 0.452 29.952 -27.951 Start of MODEL 26 1 H1 GLY 1 H GLY 1 29.017 -0.651 -3.723 2 HA2 GLY 1 2HA GLY 1 28.636 -2.801 -1.901 3 HA3 GLY 1 3HA GLY 1 29.930 -1.748 -1.347 4 HA PRO 2 HA PRO 2 27.069 1.059 0.413 5 HB2 PRO 2 2HB PRO 2 28.074 3.493 -0.245 6 HB3 PRO 2 3HB PRO 2 28.838 2.427 0.941 7 HG2 PRO 2 2HG PRO 2 29.529 2.862 -1.940 8 HG3 PRO 2 3HG PRO 2 30.607 2.723 -0.540 9 HD2 PRO 2 2HD PRO 2 30.163 0.668 -2.246 10 HD3 PRO 2 3HD PRO 2 30.489 0.422 -0.518 11 H SER 3 H SER 3 25.227 2.247 0.002 12 HA SER 3 HA SER 3 24.527 2.539 -2.834 13 HB2 SER 3 2HB SER 3 22.332 2.097 -2.287 14 HB3 SER 3 3HB SER 3 23.144 1.192 -1.010 15 HG SER 3 HG SER 3 22.848 3.030 0.344 16 H THR 4 H THR 4 23.119 4.392 -3.402 17 HA THR 4 HA THR 4 23.796 6.788 -1.824 18 HB THR 4 HB THR 4 23.507 6.739 -4.829 19 HG1 THR 4 HG1 THR 4 25.892 7.034 -4.659 20 HG21 THR 4 3HG2 THR 4 24.203 8.800 -2.786 21 HG22 THR 4 1HG2 THR 4 23.179 8.935 -4.214 22 HG23 THR 4 2HG2 THR 4 24.934 8.902 -4.388 23 H SER 5 H SER 5 22.205 8.277 -1.491 24 HA SER 5 HA SER 5 19.503 7.461 -2.274 25 HB2 SER 5 2HB SER 5 20.405 9.475 -0.200 26 HB3 SER 5 3HB SER 5 18.737 8.985 -0.497 27 HG SER 5 HG SER 5 19.266 6.908 0.178 28 H MET 6 H MET 6 17.943 9.270 -2.729 29 HA MET 6 HA MET 6 18.982 11.725 -3.780 30 HB2 MET 6 2HB MET 6 18.227 11.335 -6.112 31 HB3 MET 6 3HB MET 6 19.582 10.316 -5.646 32 HG2 MET 6 2HG MET 6 17.027 9.050 -5.129 33 HG3 MET 6 3HG MET 6 17.231 9.492 -6.823 34 HE1 MET 6 3HE MET 6 20.351 8.554 -7.805 35 HE2 MET 6 1HE MET 6 19.402 7.172 -8.354 36 HE3 MET 6 2HE MET 6 18.682 8.781 -8.329 37 H GLU 7 H GLU 7 17.279 13.139 -4.596 38 HA GLU 7 HA GLU 7 14.606 12.344 -3.644 39 HB2 GLU 7 2HB GLU 7 14.308 14.823 -3.124 40 HB3 GLU 7 3HB GLU 7 15.354 13.906 -2.049 41 HG2 GLU 7 2HG GLU 7 17.317 14.779 -3.182 42 HG3 GLU 7 3HG GLU 7 16.287 15.667 -4.304 43 H ASN 8 H ASN 8 15.865 12.299 -6.347 44 HA ASN 8 HA ASN 8 13.668 13.136 -7.858 45 HB2 ASN 8 2HB ASN 8 14.296 15.408 -7.465 46 HB3 ASN 8 3HB ASN 8 15.989 15.068 -7.817 47 HD21 ASN 8 1HD2 ASN 8 12.773 15.213 -9.236 48 HD22 ASN 8 2HD2 ASN 8 13.298 15.577 -10.840 49 H LEU 9 H LEU 9 14.267 10.929 -8.439 50 HA LEU 9 HA LEU 9 16.617 10.669 -10.156 51 HB2 LEU 9 2HB LEU 9 15.919 8.245 -10.203 52 HB3 LEU 9 3HB LEU 9 16.427 8.885 -8.642 53 HG LEU 9 HG LEU 9 13.549 9.062 -9.036 54 HD11 LEU 9 1HD1 LEU 9 13.265 6.566 -8.670 55 HD12 LEU 9 2HD1 LEU 9 14.913 6.396 -9.272 56 HD13 LEU 9 3HD1 LEU 9 13.664 7.088 -10.307 57 HD21 LEU 9 3HD2 LEU 9 14.806 7.410 -6.923 58 HD22 LEU 9 1HD2 LEU 9 13.511 8.603 -6.815 59 HD23 LEU 9 2HD2 LEU 9 15.190 9.132 -6.936 60 H VAL 10 H VAL 10 13.840 11.986 -10.710 61 HA VAL 10 HA VAL 10 12.457 10.621 -12.667 62 HB VAL 10 HB VAL 10 11.832 12.846 -11.674 63 HG11 VAL 10 1HG1 VAL 10 12.698 14.861 -12.547 64 HG12 VAL 10 2HG1 VAL 10 14.101 13.858 -12.174 65 HG13 VAL 10 3HG1 VAL 10 13.551 14.023 -13.843 66 HG21 VAL 10 3HG2 VAL 10 11.696 12.985 -14.664 67 HG22 VAL 10 1HG2 VAL 10 10.842 11.724 -13.775 68 HG23 VAL 10 2HG2 VAL 10 10.471 13.422 -13.473 69 H SER 11 H SER 11 15.546 12.218 -12.872 70 HA SER 11 HA SER 11 15.681 12.341 -15.714 71 HB2 SER 11 2HB SER 11 17.074 13.783 -14.299 72 HB3 SER 11 3HB SER 11 17.907 12.365 -13.660 73 HG SER 11 HG SER 11 18.015 13.473 -16.249 74 H LEU 12 H LEU 12 16.764 10.011 -13.291 75 HA LEU 12 HA LEU 12 18.052 8.311 -15.216 76 HB2 LEU 12 2HB LEU 12 17.892 8.517 -12.377 77 HB3 LEU 12 3HB LEU 12 17.450 6.877 -12.849 78 HG LEU 12 HG LEU 12 19.616 6.801 -14.149 79 HD11 LEU 12 1HD1 LEU 12 20.425 9.129 -12.437 80 HD12 LEU 12 2HD1 LEU 12 19.836 9.343 -14.085 81 HD13 LEU 12 3HD1 LEU 12 21.291 8.393 -13.786 82 HD21 LEU 12 3HD2 LEU 12 20.728 5.938 -12.344 83 HD22 LEU 12 1HD2 LEU 12 19.087 5.992 -11.702 84 HD23 LEU 12 2HD2 LEU 12 20.243 7.254 -11.273 85 H GLN 13 H GLN 13 14.856 8.733 -14.060 86 HA GLN 13 HA GLN 13 13.770 6.188 -14.284 87 HB2 GLN 13 2HB GLN 13 12.602 8.918 -14.776 88 HB3 GLN 13 3HB GLN 13 11.635 7.457 -14.926 89 HG2 GLN 13 2HG GLN 13 12.400 6.916 -12.553 90 HG3 GLN 13 3HG GLN 13 12.932 8.596 -12.478 91 HE21 GLN 13 1HE2 GLN 13 11.401 8.825 -10.754 92 HE22 GLN 13 2HE2 GLN 13 9.730 9.079 -11.110 93 H ASN 14 H ASN 14 14.844 8.369 -16.747 94 HA ASN 14 HA ASN 14 13.675 6.642 -18.823 95 HB2 ASN 14 2HB ASN 14 13.973 9.507 -18.587 96 HB3 ASN 14 3HB ASN 14 14.769 8.922 -20.046 97 HD21 ASN 14 1HD2 ASN 14 11.810 8.036 -18.295 98 HD22 ASN 14 2HD2 ASN 14 10.764 8.151 -19.666 99 H LEU 15 H LEU 15 16.514 8.782 -18.769 100 HA LEU 15 HA LEU 15 18.247 6.493 -19.321 101 HB2 LEU 15 2HB LEU 15 17.415 8.424 -21.269 102 HB3 LEU 15 3HB LEU 15 19.150 8.567 -20.996 103 HG LEU 15 HG LEU 15 18.735 7.106 -22.867 104 HD11 LEU 15 1HD1 LEU 15 19.949 5.137 -22.134 105 HD12 LEU 15 2HD1 LEU 15 19.582 5.513 -20.450 106 HD13 LEU 15 3HD1 LEU 15 20.622 6.587 -21.388 107 HD21 LEU 15 3HD2 LEU 15 16.436 6.408 -21.688 108 HD22 LEU 15 1HD2 LEU 15 17.424 5.020 -21.231 109 HD23 LEU 15 2HD2 LEU 15 17.214 5.429 -22.934 110 H LEU 16 H LEU 16 20.620 7.351 -19.492 111 HA LEU 16 HA LEU 16 21.006 9.411 -17.420 112 HB2 LEU 16 2HB LEU 16 23.131 8.082 -16.891 113 HB3 LEU 16 3HB LEU 16 21.587 7.456 -16.318 114 HG LEU 16 HG LEU 16 22.629 6.449 -18.917 115 HD11 LEU 16 1HD1 LEU 16 24.622 6.078 -17.863 116 HD12 LEU 16 2HD1 LEU 16 23.743 4.631 -17.372 117 HD13 LEU 16 3HD1 LEU 16 23.888 5.993 -16.261 118 HD21 LEU 16 3HD2 LEU 16 20.827 5.565 -16.732 119 HD22 LEU 16 1HD2 LEU 16 21.708 4.323 -17.622 120 HD23 LEU 16 2HD2 LEU 16 20.641 5.433 -18.482 121 H VAL 17 H VAL 17 20.959 10.428 -19.812 122 HA VAL 17 HA VAL 17 23.196 10.273 -21.460 123 HB VAL 17 HB VAL 17 22.597 12.559 -22.226 124 HG11 VAL 17 1HG1 VAL 17 21.145 11.509 -23.535 125 HG12 VAL 17 2HG1 VAL 17 21.054 10.190 -22.365 126 HG13 VAL 17 3HG1 VAL 17 19.935 11.549 -22.253 127 HG21 VAL 17 3HG2 VAL 17 20.866 13.815 -21.247 128 HG22 VAL 17 1HG2 VAL 17 20.337 12.461 -20.248 129 HG23 VAL 17 2HG2 VAL 17 21.860 13.277 -19.894 130 H TYR 18 H TYR 18 24.523 12.489 -21.796 131 HA TYR 18 HA TYR 18 25.876 12.963 -19.225 132 HB2 TYR 18 2HB TYR 18 27.822 13.645 -20.774 133 HB3 TYR 18 3HB TYR 18 27.448 11.932 -20.624 134 HD1 TYR 18 HD2 TYR 18 26.610 14.873 -22.769 135 HD2 TYR 18 HD1 TYR 18 27.244 10.673 -22.553 136 HE1 TYR 18 HE2 TYR 18 26.373 14.718 -25.212 137 HE2 TYR 18 HE1 TYR 18 27.010 10.504 -24.996 138 HH TYR 18 HH TYR 18 27.411 12.377 -27.015 139 H VAL 19 H VAL 19 23.565 14.432 -20.054 140 HA VAL 19 HA VAL 19 24.669 17.106 -19.879 141 HB VAL 19 HB VAL 19 23.107 17.902 -21.735 142 HG11 VAL 19 1HG1 VAL 19 24.876 17.991 -23.147 143 HG12 VAL 19 2HG1 VAL 19 25.732 17.368 -21.735 144 HG13 VAL 19 3HG1 VAL 19 25.213 16.265 -23.010 145 HG21 VAL 19 3HG2 VAL 19 23.393 15.139 -22.848 146 HG22 VAL 19 1HG2 VAL 19 22.029 15.544 -21.806 147 HG23 VAL 19 2HG2 VAL 19 22.278 16.424 -23.314 148 H ASN 20 H ASN 20 23.455 18.344 -18.588 149 HA ASN 20 HA ASN 20 21.379 17.403 -17.063 150 HB2 ASN 20 2HB ASN 20 22.509 19.401 -16.395 151 HB3 ASN 20 3HB ASN 20 22.043 20.236 -17.874 152 HD21 ASN 20 1HD2 ASN 20 20.685 21.789 -17.369 153 HD22 ASN 20 2HD2 ASN 20 19.334 21.652 -16.302 154 H TRP 21 H TRP 21 21.233 18.939 -20.216 155 HA TRP 21 HA TRP 21 18.306 18.644 -20.207 156 HB2 TRP 21 2HB TRP 21 18.846 20.889 -20.716 157 HB3 TRP 21 3HB TRP 21 20.158 20.415 -21.791 158 HD1 TRP 21 HD1 TRP 21 16.452 21.108 -21.742 159 HE1 TRP 21 HE1 TRP 21 15.513 20.911 -24.130 160 HE3 TRP 21 HE3 TRP 21 20.526 19.055 -24.050 161 HZ2 TRP 21 HZ2 TRP 21 16.383 20.006 -26.658 162 HZ3 TRP 21 HZ3 TRP 21 20.390 18.553 -26.455 163 HH2 TRP 21 HH2 TRP 21 18.361 19.018 -27.730 164 H SER 22 H SER 22 17.307 17.318 -21.624 165 HA SER 22 HA SER 22 18.316 16.435 -24.078 166 HB2 SER 22 2HB SER 22 20.004 15.224 -22.854 167 HB3 SER 22 3HB SER 22 18.795 14.541 -21.768 168 HG SER 22 HG SER 22 18.080 13.236 -23.361 169 H SER 23 H SER 23 15.926 17.300 -23.704 170 HA SER 23 HA SER 23 13.689 16.891 -23.819 171 HB2 SER 23 2HB SER 23 15.019 14.652 -25.189 172 HB3 SER 23 3HB SER 23 13.369 14.305 -24.672 173 HG SER 23 HG SER 23 13.925 15.467 -26.830 174 H TYR 24 H TYR 24 13.169 17.000 -21.644 175 HA TYR 24 HA TYR 24 13.575 15.140 -19.668 176 HB2 TYR 24 2HB TYR 24 11.483 17.212 -20.144 177 HB3 TYR 24 3HB TYR 24 11.221 16.055 -18.843 178 HD1 TYR 24 HD1 TYR 24 14.459 17.499 -19.947 179 HD2 TYR 24 HD2 TYR 24 11.452 17.409 -16.938 180 HE1 TYR 24 HE1 TYR 24 15.904 18.837 -18.473 181 HE2 TYR 24 HE2 TYR 24 12.888 18.749 -15.455 182 HH TYR 24 HH TYR 24 16.164 19.229 -16.013 183 HA PRO 25 HA PRO 25 11.123 11.605 -20.541 184 HB2 PRO 25 2HB PRO 25 10.440 10.816 -18.036 185 HB3 PRO 25 3HB PRO 25 12.074 10.640 -18.686 186 HG2 PRO 25 2HG PRO 25 10.975 12.748 -16.865 187 HG3 PRO 25 3HG PRO 25 12.528 11.895 -16.780 188 HD2 PRO 25 2HD PRO 25 12.295 14.399 -17.782 189 HD3 PRO 25 3HD PRO 25 13.498 13.239 -18.381 190 H LYS 26 H LYS 26 8.975 10.705 -20.401 191 HA LYS 26 HA LYS 26 6.944 12.775 -19.932 192 HB2 LYS 26 2HB LYS 26 6.002 12.114 -21.847 193 HB3 LYS 26 3HB LYS 26 7.394 11.069 -22.104 194 HG2 LYS 26 2HG LYS 26 6.188 9.295 -20.814 195 HG3 LYS 26 3HG LYS 26 4.767 10.343 -20.831 196 HD2 LYS 26 2HD LYS 26 4.236 9.517 -22.825 197 HD3 LYS 26 3HD LYS 26 5.709 10.234 -23.480 198 HE2 LYS 26 2HE LYS 26 6.836 8.262 -23.463 199 HE3 LYS 26 3HE LYS 26 6.004 7.675 -22.025 200 HZ1 LYS 26 3HZ LYS 26 4.903 6.380 -23.448 201 HZ2 LYS 26 1HZ LYS 26 5.358 7.290 -24.800 202 HZ3 LYS 26 2HZ LYS 26 4.031 7.767 -23.867 203 H TYR 27 H TYR 27 4.840 12.056 -19.092 204 HA TYR 27 HA TYR 27 4.977 10.877 -16.623 205 HB2 TYR 27 2HB TYR 27 2.960 11.903 -16.842 206 HB3 TYR 27 3HB TYR 27 2.796 11.454 -18.535 207 HD1 TYR 27 HD2 TYR 27 2.472 10.156 -15.075 208 HD2 TYR 27 HD1 TYR 27 1.456 9.627 -19.173 209 HE1 TYR 27 HE2 TYR 27 0.873 8.397 -14.445 210 HE2 TYR 27 HE1 TYR 27 -0.146 7.866 -18.554 211 HH TYR 27 HH TYR 27 -1.487 7.239 -16.494 212 H GLU 28 H GLU 28 5.601 8.912 -16.049 213 HA GLU 28 HA GLU 28 4.778 6.631 -17.724 214 HB2 GLU 28 2HB GLU 28 7.410 7.453 -16.909 215 HB3 GLU 28 3HB GLU 28 7.044 5.877 -16.220 216 HG2 GLU 28 2HG GLU 28 6.941 6.630 -19.132 217 HG3 GLU 28 3HG GLU 28 8.152 5.620 -18.344 218 HA PRO 29 HA PRO 29 2.741 5.763 -13.784 219 HB2 PRO 29 2HB PRO 29 1.041 3.921 -14.829 220 HB3 PRO 29 3HB PRO 29 0.762 5.663 -14.947 221 HG2 PRO 29 2HG PRO 29 1.900 3.784 -16.980 222 HG3 PRO 29 3HG PRO 29 0.722 5.091 -17.200 223 HD2 PRO 29 2HD PRO 29 3.343 5.373 -17.820 224 HD3 PRO 29 3HD PRO 29 2.350 6.722 -17.234 225 H GLY 30 H GLY 30 3.288 4.272 -12.300 226 HA2 GLY 30 2HA GLY 30 3.595 1.955 -11.669 227 HA3 GLY 30 3HA GLY 30 4.318 1.676 -13.246 228 H LYS 31 H LYS 31 5.168 4.552 -11.538 229 HA LYS 31 HA LYS 31 7.546 3.361 -10.364 230 HB2 LYS 31 2HB LYS 31 7.677 5.477 -12.519 231 HB3 LYS 31 3HB LYS 31 9.034 5.017 -11.499 232 HG2 LYS 31 2HG LYS 31 9.479 3.718 -13.303 233 HG3 LYS 31 3HG LYS 31 8.432 2.607 -12.416 234 HD2 LYS 31 2HD LYS 31 6.867 2.664 -14.009 235 HD3 LYS 31 3HD LYS 31 6.930 4.425 -14.114 236 HE2 LYS 31 2HE LYS 31 7.664 3.864 -16.209 237 HE3 LYS 31 3HE LYS 31 9.201 3.943 -15.347 238 HZ1 LYS 31 3HZ LYS 31 9.468 1.704 -15.427 239 HZ2 LYS 31 1HZ LYS 31 8.549 1.889 -16.836 240 HZ3 LYS 31 2HZ LYS 31 7.809 1.374 -15.404 241 H GLU 32 H GLU 32 7.892 4.249 -8.439 242 HA GLU 32 HA GLU 32 6.332 6.208 -7.294 243 HB2 GLU 32 2HB GLU 32 7.599 4.845 -5.844 244 HB3 GLU 32 3HB GLU 32 9.109 5.247 -6.649 245 HG2 GLU 32 2HG GLU 32 7.581 7.434 -5.346 246 HG3 GLU 32 3HG GLU 32 8.455 6.293 -4.326 247 H TYR 33 H TYR 33 6.369 8.390 -7.146 248 HA TYR 33 HA TYR 33 8.516 9.800 -8.592 249 HB2 TYR 33 2HB TYR 33 5.543 10.238 -8.613 250 HB3 TYR 33 3HB TYR 33 6.646 11.558 -8.988 251 HD1 TYR 33 HD2 TYR 33 8.316 11.200 -10.894 252 HD2 TYR 33 HD1 TYR 33 4.941 8.688 -10.260 253 HE1 TYR 33 HE2 TYR 33 8.468 10.417 -13.221 254 HE2 TYR 33 HE1 TYR 33 5.084 7.897 -12.584 255 HH TYR 33 HH TYR 33 7.784 8.694 -14.632 256 H ASN 34 H ASN 34 9.756 10.706 -7.077 257 HA ASN 34 HA ASN 34 8.636 11.670 -4.590 258 HB2 ASN 34 2HB ASN 34 11.000 12.240 -4.048 259 HB3 ASN 34 3HB ASN 34 10.778 10.551 -4.494 260 HD21 ASN 34 1HD2 ASN 34 12.852 10.209 -5.160 261 HD22 ASN 34 2HD2 ASN 34 13.532 10.944 -6.567 262 H GLN 35 H GLN 35 9.551 13.881 -3.817 263 HA GLN 35 HA GLN 35 8.362 15.889 -5.373 264 HB2 GLN 35 2HB GLN 35 9.097 17.420 -3.727 265 HB3 GLN 35 3HB GLN 35 8.794 15.914 -2.872 266 HG2 GLN 35 2HG GLN 35 11.497 16.892 -3.763 267 HG3 GLN 35 3HG GLN 35 10.846 17.030 -2.131 268 HE21 GLN 35 1HE2 GLN 35 10.493 15.112 -0.924 269 HE22 GLN 35 2HE2 GLN 35 11.379 13.672 -1.277 270 H GLY 36 H GLY 36 9.117 17.271 -6.884 271 HA2 GLY 36 2HA GLY 36 10.856 18.554 -7.916 272 HA3 GLY 36 3HA GLY 36 12.015 17.344 -7.386 273 H ASP 37 H ASP 37 10.228 15.143 -8.271 274 HA ASP 37 HA ASP 37 11.317 14.664 -10.781 275 HB2 ASP 37 2HB ASP 37 8.917 13.526 -9.366 276 HB3 ASP 37 3HB ASP 37 9.371 12.981 -10.978 277 H ILE 38 H ILE 38 10.814 15.247 -12.800 278 HA ILE 38 HA ILE 38 8.229 16.586 -13.255 279 HB ILE 38 HB ILE 38 10.895 17.351 -14.450 280 HG12 ILE 38 2HG1 ILE 38 9.430 19.435 -13.068 281 HG13 ILE 38 3HG1 ILE 38 9.739 18.069 -12.002 282 HG21 ILE 38 1HG2 ILE 38 9.067 19.337 -15.032 283 HG22 ILE 38 2HG2 ILE 38 9.682 18.124 -16.153 284 HG23 ILE 38 3HG2 ILE 38 8.164 17.846 -15.299 285 HD11 ILE 38 3HD1 ILE 38 11.505 19.692 -11.814 286 HD12 ILE 38 1HD1 ILE 38 12.127 18.216 -12.549 287 HD13 ILE 38 2HD1 ILE 38 11.792 19.627 -13.552 288 H VAL 39 H VAL 39 7.107 15.998 -15.035 289 HA VAL 39 HA VAL 39 8.424 14.384 -17.090 290 HB VAL 39 HB VAL 39 6.815 12.635 -17.045 291 HG11 VAL 39 1HG1 VAL 39 7.087 11.720 -14.751 292 HG12 VAL 39 2HG1 VAL 39 8.590 12.319 -15.455 293 HG13 VAL 39 3HG1 VAL 39 7.735 13.280 -14.248 294 HG21 VAL 39 3HG2 VAL 39 4.722 13.317 -16.573 295 HG22 VAL 39 1HG2 VAL 39 5.150 12.877 -14.919 296 HG23 VAL 39 2HG2 VAL 39 5.271 14.557 -15.444 297 H GLU 40 H GLU 40 7.449 14.463 -19.115 298 HA GLU 40 HA GLU 40 5.633 16.710 -19.485 299 HB2 GLU 40 2HB GLU 40 7.543 16.696 -20.932 300 HB3 GLU 40 3HB GLU 40 7.233 15.035 -21.419 301 HG2 GLU 40 2HG GLU 40 5.160 15.757 -22.514 302 HG3 GLU 40 3HG GLU 40 5.518 17.422 -22.063 303 H TYR 41 H TYR 41 3.537 16.266 -19.287 304 HA TYR 41 HA TYR 41 2.513 13.802 -20.539 305 HB2 TYR 41 2HB TYR 41 2.197 13.614 -18.176 306 HB3 TYR 41 3HB TYR 41 1.570 15.255 -18.065 307 HD1 TYR 41 HD2 TYR 41 -0.696 15.772 -18.922 308 HD2 TYR 41 HD1 TYR 41 0.786 11.787 -18.792 309 HE1 TYR 41 HE2 TYR 41 -2.989 14.918 -19.175 310 HE2 TYR 41 HE1 TYR 41 -1.502 10.921 -19.046 311 HH TYR 41 HH TYR 41 -4.167 12.572 -18.471 312 H ASN 42 H ASN 42 1.198 14.090 -22.206 313 HA ASN 42 HA ASN 42 -0.147 15.075 -23.754 314 HB2 ASN 42 2HB ASN 42 -1.173 16.193 -21.168 315 HB3 ASN 42 3HB ASN 42 -1.836 16.776 -22.692 316 HD21 ASN 42 1HD2 ASN 42 -3.847 15.917 -22.421 317 HD22 ASN 42 2HD2 ASN 42 -4.165 14.219 -22.430 318 H GLY 43 H GLY 43 2.463 16.310 -23.076 319 HA2 GLY 43 2HA GLY 43 3.619 18.055 -24.084 320 HA3 GLY 43 3HA GLY 43 2.084 18.739 -24.596 321 H LYS 44 H LYS 44 2.246 17.940 -21.289 322 HA LYS 44 HA LYS 44 2.717 20.772 -20.619 323 HB2 LYS 44 2HB LYS 44 0.690 18.814 -19.690 324 HB3 LYS 44 3HB LYS 44 1.344 19.906 -18.477 325 HG2 LYS 44 2HG LYS 44 0.469 21.783 -19.503 326 HG3 LYS 44 3HG LYS 44 0.329 20.985 -21.071 327 HD2 LYS 44 2HD LYS 44 -1.274 19.496 -19.327 328 HD3 LYS 44 3HD LYS 44 -1.600 21.187 -18.939 329 HE2 LYS 44 2HE LYS 44 -2.385 21.656 -21.068 330 HE3 LYS 44 3HE LYS 44 -1.539 20.289 -21.791 331 HZ1 LYS 44 3HZ LYS 44 -3.286 18.981 -21.461 332 HZ2 LYS 44 1HZ LYS 44 -4.174 20.365 -21.062 333 HZ3 LYS 44 2HZ LYS 44 -3.444 19.448 -19.842 334 H LEU 45 H LEU 45 4.007 21.267 -18.866 335 HA LEU 45 HA LEU 45 5.728 19.084 -17.949 336 HB2 LEU 45 2HB LEU 45 6.032 22.014 -18.271 337 HB3 LEU 45 3HB LEU 45 6.935 21.250 -16.966 338 HG LEU 45 HG LEU 45 8.052 21.600 -19.285 339 HD11 LEU 45 1HD1 LEU 45 9.170 20.454 -17.521 340 HD12 LEU 45 2HD1 LEU 45 9.317 19.468 -18.976 341 HD13 LEU 45 3HD1 LEU 45 8.154 19.026 -17.725 342 HD21 LEU 45 3HD2 LEU 45 7.670 20.008 -20.940 343 HD22 LEU 45 1HD2 LEU 45 6.047 20.430 -20.394 344 HD23 LEU 45 2HD2 LEU 45 6.800 18.934 -19.843 345 H TYR 46 H TYR 46 5.123 18.147 -16.114 346 HA TYR 46 HA TYR 46 3.967 19.828 -13.990 347 HB2 TYR 46 2HB TYR 46 3.595 16.881 -14.552 348 HB3 TYR 46 3HB TYR 46 2.978 17.700 -13.121 349 HD1 TYR 46 HD1 TYR 46 1.324 19.614 -13.467 350 HD2 TYR 46 HD2 TYR 46 2.358 16.861 -16.542 351 HE1 TYR 46 HE1 TYR 46 -0.720 20.225 -14.691 352 HE2 TYR 46 HE2 TYR 46 0.318 17.464 -17.775 353 HH TYR 46 HH TYR 46 -2.215 19.218 -16.393 354 H LYS 47 H LYS 47 4.596 19.428 -11.821 355 HA LYS 47 HA LYS 47 7.048 17.849 -11.473 356 HB2 LYS 47 2HB LYS 47 7.852 20.088 -11.724 357 HB3 LYS 47 3HB LYS 47 6.616 20.718 -10.643 358 HG2 LYS 47 2HG LYS 47 7.746 20.121 -8.774 359 HG3 LYS 47 3HG LYS 47 8.460 18.694 -9.528 360 HD2 LYS 47 2HD LYS 47 10.353 19.859 -9.701 361 HD3 LYS 47 3HD LYS 47 9.544 20.839 -10.926 362 HE2 LYS 47 2HE LYS 47 8.647 22.210 -8.953 363 HE3 LYS 47 3HE LYS 47 9.881 21.392 -7.995 364 HZ1 LYS 47 3HZ LYS 47 11.569 22.254 -9.484 365 HZ2 LYS 47 1HZ LYS 47 10.659 23.523 -8.834 366 HZ3 LYS 47 2HZ LYS 47 10.390 23.020 -10.426 367 H ALA 48 H ALA 48 6.742 16.414 -9.915 368 HA ALA 48 HA ALA 48 4.518 16.397 -8.196 369 HB1 ALA 48 1HB ALA 48 5.448 14.307 -8.639 370 HB2 ALA 48 2HB ALA 48 7.082 14.847 -8.252 371 HB3 ALA 48 3HB ALA 48 5.901 14.619 -6.963 372 H LYS 49 H LYS 49 4.132 17.559 -6.439 373 HA LYS 49 HA LYS 49 6.069 19.277 -5.278 374 HB2 LYS 49 2HB LYS 49 3.358 18.444 -4.230 375 HB3 LYS 49 3HB LYS 49 4.315 19.790 -3.626 376 HG2 LYS 49 2HG LYS 49 4.035 21.013 -5.625 377 HG3 LYS 49 3HG LYS 49 3.394 19.608 -6.479 378 HD2 LYS 49 2HD LYS 49 1.341 19.737 -5.421 379 HD3 LYS 49 3HD LYS 49 1.991 20.634 -4.047 380 HE2 LYS 49 2HE LYS 49 2.486 22.359 -6.084 381 HE3 LYS 49 3HE LYS 49 0.998 21.595 -6.642 382 HZ1 LYS 49 3HZ LYS 49 -0.194 22.433 -4.901 383 HZ2 LYS 49 1HZ LYS 49 0.931 23.681 -5.099 384 HZ3 LYS 49 2HZ LYS 49 1.141 22.539 -3.868 385 H TYR 50 H TYR 50 4.548 16.262 -4.183 386 HA TYR 50 HA TYR 50 6.862 15.763 -2.478 387 HB2 TYR 50 2HB TYR 50 5.633 15.411 -0.491 388 HB3 TYR 50 3HB TYR 50 5.027 16.931 -1.139 389 HD1 TYR 50 HD1 TYR 50 2.997 16.454 -2.937 390 HD2 TYR 50 HD2 TYR 50 4.019 14.060 0.428 391 HE1 TYR 50 HE1 TYR 50 0.703 15.570 -2.877 392 HE2 TYR 50 HE2 TYR 50 1.727 13.168 0.497 393 HH TYR 50 HH TYR 50 -0.613 14.047 -0.310 394 H TRP 51 H TRP 51 6.567 13.501 -1.411 395 HA TRP 51 HA TRP 51 6.588 11.566 -3.357 396 HB2 TRP 51 2HB TRP 51 7.154 11.540 -0.744 397 HB3 TRP 51 3HB TRP 51 5.584 10.743 -0.680 398 HD1 TRP 51 HD1 TRP 51 8.979 10.312 -2.510 399 HE1 TRP 51 HE1 TRP 51 9.365 7.795 -2.876 400 HE3 TRP 51 HE3 TRP 51 4.562 8.535 -0.648 401 HZ2 TRP 51 HZ2 TRP 51 7.979 5.375 -2.434 402 HZ3 TRP 51 HZ3 TRP 51 4.170 6.106 -0.657 403 HH2 TRP 51 HH2 TRP 51 5.844 4.560 -1.532 404 H THR 52 H THR 52 5.054 10.921 -4.704 405 HA THR 52 HA THR 52 2.490 10.063 -3.746 406 HB THR 52 HB THR 52 2.404 12.280 -5.782 407 HG1 THR 52 HG1 THR 52 1.883 12.572 -2.999 408 HG21 THR 52 3HG2 THR 52 0.461 10.588 -4.351 409 HG22 THR 52 1HG2 THR 52 0.341 11.365 -5.930 410 HG23 THR 52 2HG2 THR 52 0.041 12.297 -4.463 411 H THR 53 H THR 53 1.471 8.680 -5.161 412 HA THR 53 HA THR 53 2.835 8.215 -7.733 413 HB THR 53 HB THR 53 2.028 5.784 -7.402 414 HG1 THR 53 HG1 THR 53 2.053 6.663 -4.688 415 HG21 THR 53 3HG2 THR 53 4.268 5.703 -7.297 416 HG22 THR 53 1HG2 THR 53 4.052 5.648 -5.549 417 HG23 THR 53 2HG2 THR 53 4.366 7.187 -6.351 418 H SER 54 H SER 54 1.490 8.980 -9.243 419 HA SER 54 HA SER 54 -0.866 7.715 -9.954 420 HB2 SER 54 2HB SER 54 -1.261 9.549 -7.790 421 HB3 SER 54 3HB SER 54 -2.074 10.179 -9.223 422 HG SER 54 HG SER 54 -3.267 8.636 -7.820 423 HA PRO 55 HA PRO 55 -0.127 10.084 -13.575 424 HB2 PRO 55 2HB PRO 55 -2.573 9.998 -14.749 425 HB3 PRO 55 3HB PRO 55 -1.495 8.599 -14.673 426 HG2 PRO 55 2HG PRO 55 -3.841 9.281 -12.942 427 HG3 PRO 55 3HG PRO 55 -3.381 7.715 -13.637 428 HD2 PRO 55 2HD PRO 55 -2.872 8.371 -11.060 429 HD3 PRO 55 3HD PRO 55 -1.806 7.311 -12.004 430 HA PRO 56 HA PRO 56 -1.315 14.266 -12.858 431 HB2 PRO 56 2HB PRO 56 -0.976 15.281 -15.353 432 HB3 PRO 56 3HB PRO 56 0.375 14.847 -14.300 433 HG2 PRO 56 2HG PRO 56 -0.840 13.301 -16.557 434 HG3 PRO 56 3HG PRO 56 0.871 13.539 -16.158 435 HD2 PRO 56 2HD PRO 56 -0.471 11.273 -15.528 436 HD3 PRO 56 3HD PRO 56 0.844 11.914 -14.524 437 H SER 57 H SER 57 -3.210 15.304 -12.736 438 HA SER 57 HA SER 57 -5.032 15.721 -14.788 439 HB2 SER 57 2HB SER 57 -6.844 14.104 -13.645 440 HB3 SER 57 3HB SER 57 -5.826 13.584 -14.987 441 HG SER 57 HG SER 57 -4.871 12.225 -13.704 442 H ASP 58 H ASP 58 -5.481 14.651 -11.415 443 HA ASP 58 HA ASP 58 -6.237 17.384 -10.689 444 HB2 ASP 58 2HB ASP 58 -7.999 15.001 -10.665 445 HB3 ASP 58 3HB ASP 58 -8.073 16.037 -9.242 446 H ASP 59 H ASP 59 -4.957 17.941 -9.068 447 HA ASP 59 HA ASP 59 -4.139 15.874 -7.136 448 HB2 ASP 59 2HB ASP 59 -2.376 17.800 -6.618 449 HB3 ASP 59 3HB ASP 59 -2.123 16.635 -7.915 450 HA PRO 60 HA PRO 60 -7.010 18.596 -4.777 451 HB2 PRO 60 2HB PRO 60 -8.031 16.576 -3.278 452 HB3 PRO 60 3HB PRO 60 -8.645 16.986 -4.884 453 HG2 PRO 60 2HG PRO 60 -6.746 14.817 -4.080 454 HG3 PRO 60 3HG PRO 60 -8.107 14.748 -5.215 455 HD2 PRO 60 2HD PRO 60 -5.537 14.984 -6.035 456 HD3 PRO 60 3HD PRO 60 -6.892 15.707 -6.924 457 H TYR 61 H TYR 61 -4.397 16.519 -4.026 458 HA TYR 61 HA TYR 61 -4.266 17.588 -1.285 459 HB2 TYR 61 2HB TYR 61 -2.465 15.558 -1.267 460 HB3 TYR 61 3HB TYR 61 -4.151 15.380 -0.796 461 HD1 TYR 61 HD2 TYR 61 -1.893 15.096 -3.745 462 HD2 TYR 61 HD1 TYR 61 -5.506 13.831 -1.887 463 HE1 TYR 61 HE2 TYR 61 -2.203 13.407 -5.507 464 HE2 TYR 61 HE1 TYR 61 -5.824 12.138 -3.643 465 HH TYR 61 HH TYR 61 -4.202 12.153 -6.524 466 H GLY 62 H GLY 62 -3.010 17.985 -4.310 467 HA2 GLY 62 2HA GLY 62 -1.301 19.417 -4.966 468 HA3 GLY 62 3HA GLY 62 -0.781 19.518 -3.289 469 H SER 63 H SER 63 -1.135 16.784 -5.546 470 HA SER 63 HA SER 63 1.450 15.771 -4.695 471 HB2 SER 63 2HB SER 63 0.873 13.803 -6.077 472 HB3 SER 63 3HB SER 63 -0.404 14.191 -4.926 473 HG SER 63 HG SER 63 -0.399 15.054 -7.627 474 H TRP 64 H TRP 64 0.126 17.596 -7.273 475 HA TRP 64 HA TRP 64 2.709 17.477 -8.664 476 HB2 TRP 64 2HB TRP 64 -0.031 17.131 -9.852 477 HB3 TRP 64 3HB TRP 64 1.296 17.767 -10.820 478 HD1 TRP 64 HD1 TRP 64 -0.172 14.561 -9.585 479 HE1 TRP 64 HE1 TRP 64 1.296 12.581 -10.327 480 HE3 TRP 64 HE3 TRP 64 3.925 17.151 -11.210 481 HZ2 TRP 64 HZ2 TRP 64 3.853 12.170 -11.451 482 HZ3 TRP 64 HZ3 TRP 64 5.840 15.890 -12.103 483 HH2 TRP 64 HH2 TRP 64 5.803 13.452 -12.220 484 H GLU 65 H GLU 65 3.167 19.363 -9.986 485 HA GLU 65 HA GLU 65 1.527 21.720 -9.424 486 HB2 GLU 65 2HB GLU 65 3.344 21.546 -7.694 487 HB3 GLU 65 3HB GLU 65 4.516 21.703 -8.994 488 HG2 GLU 65 2HG GLU 65 3.101 23.867 -9.530 489 HG3 GLU 65 3HG GLU 65 2.699 23.730 -7.819 490 H TYR 66 H TYR 66 1.025 22.471 -11.370 491 HA TYR 66 HA TYR 66 2.533 21.935 -13.711 492 HB2 TYR 66 2HB TYR 66 0.216 22.258 -14.024 493 HB3 TYR 66 3HB TYR 66 0.216 23.764 -13.112 494 HD1 TYR 66 HD2 TYR 66 0.996 25.839 -14.137 495 HD2 TYR 66 HD1 TYR 66 0.899 22.202 -16.345 496 HE1 TYR 66 HE2 TYR 66 1.243 27.109 -16.229 497 HE2 TYR 66 HE1 TYR 66 1.148 23.463 -18.442 498 HH TYR 66 HH TYR 66 1.968 26.793 -18.499 499 H LEU 67 H LEU 67 4.455 22.797 -14.117 500 HA LEU 67 HA LEU 67 5.041 25.516 -13.196 501 HB2 LEU 67 2HB LEU 67 7.046 23.694 -14.459 502 HB3 LEU 67 3HB LEU 67 7.299 24.991 -13.293 503 HG LEU 67 HG LEU 67 6.078 22.294 -12.699 504 HD11 LEU 67 1HD1 LEU 67 8.258 21.715 -12.813 505 HD12 LEU 67 2HD1 LEU 67 8.290 22.416 -11.195 506 HD13 LEU 67 3HD1 LEU 67 8.827 23.368 -12.578 507 HD21 LEU 67 3HD2 LEU 67 6.488 24.769 -11.073 508 HD22 LEU 67 1HD2 LEU 67 6.557 23.183 -10.304 509 HD23 LEU 67 2HD2 LEU 67 5.092 23.692 -11.146 510 H GLY 68 H GLY 68 4.047 23.894 -15.954 511 HA2 GLY 68 2HA GLY 68 3.731 25.946 -17.646 512 HA3 GLY 68 3HA GLY 68 5.442 25.598 -17.850 513 H GLU 69 H GLU 69 4.631 25.253 -20.110 514 HA GLU 69 HA GLU 69 3.650 22.491 -20.423 515 HB2 GLU 69 2HB GLU 69 2.745 24.964 -21.600 516 HB3 GLU 69 3HB GLU 69 3.283 23.857 -22.855 517 HG2 GLU 69 2HG GLU 69 1.814 22.114 -21.775 518 HG3 GLU 69 3HG GLU 69 1.141 23.420 -20.799 519 H ALA 70 H ALA 70 4.547 21.233 -22.115 520 HA ALA 70 HA ALA 70 7.305 21.340 -22.376 521 HB1 ALA 70 1HB ALA 70 5.221 19.974 -24.061 522 HB2 ALA 70 2HB ALA 70 6.953 19.756 -24.314 523 HB3 ALA 70 3HB ALA 70 6.219 19.279 -22.782 524 H GLU 71 H GLU 71 4.862 22.252 -24.811 525 HA GLU 71 HA GLU 71 6.892 23.996 -26.042 526 HB2 GLU 71 2HB GLU 71 4.923 22.131 -27.325 527 HB3 GLU 71 3HB GLU 71 5.492 23.550 -28.191 528 HG2 GLU 71 2HG GLU 71 7.624 21.954 -26.987 529 HG3 GLU 71 3HG GLU 71 6.687 21.107 -28.216 530 HA PRO 72 HA PRO 72 3.672 26.922 -24.867 531 HB2 PRO 72 2HB PRO 72 5.230 29.116 -25.226 532 HB3 PRO 72 3HB PRO 72 5.308 28.110 -23.775 533 HG2 PRO 72 2HG PRO 72 7.094 28.110 -26.177 534 HG3 PRO 72 3HG PRO 72 7.527 28.004 -24.461 535 HD2 PRO 72 2HD PRO 72 7.433 25.834 -26.077 536 HD3 PRO 72 3HD PRO 72 7.038 25.754 -24.347 537 H THR 73 H THR 73 2.378 28.349 -26.021 538 HA THR 73 HA THR 73 2.669 28.201 -28.918 539 HB THR 73 HB THR 73 0.385 29.026 -29.038 540 HG1 THR 73 HG1 THR 73 0.806 29.502 -26.289 541 HG21 THR 73 3HG2 THR 73 0.882 26.594 -28.520 542 HG22 THR 73 1HG2 THR 73 -0.740 27.155 -28.112 543 HG23 THR 73 2HG2 THR 73 0.472 26.964 -26.844 Start of MODEL 27 1 H1 GLY 1 H GLY 1 30.425 0.643 -0.469 2 HA2 GLY 1 2HA GLY 1 29.213 -0.462 -2.711 3 HA3 GLY 1 3HA GLY 1 28.559 -0.544 -1.082 4 HA PRO 2 HA PRO 2 25.210 2.057 -2.170 5 HB2 PRO 2 2HB PRO 2 24.945 3.677 -0.008 6 HB3 PRO 2 3HB PRO 2 24.520 1.962 0.019 7 HG2 PRO 2 2HG PRO 2 27.005 3.312 0.999 8 HG3 PRO 2 3HG PRO 2 26.055 2.025 1.765 9 HD2 PRO 2 2HD PRO 2 28.349 1.534 0.412 10 HD3 PRO 2 3HD PRO 2 27.003 0.377 0.462 11 H SER 3 H SER 3 24.875 3.838 -3.372 12 HA SER 3 HA SER 3 26.175 6.333 -2.883 13 HB2 SER 3 2HB SER 3 27.206 4.528 -5.043 14 HB3 SER 3 3HB SER 3 27.222 6.273 -5.289 15 HG SER 3 HG SER 3 29.093 5.999 -4.296 16 H THR 4 H THR 4 25.733 7.879 -4.793 17 HA THR 4 HA THR 4 24.221 8.942 -6.123 18 HB THR 4 HB THR 4 22.814 6.398 -6.803 19 HG1 THR 4 HG1 THR 4 24.583 5.496 -7.516 20 HG21 THR 4 3HG2 THR 4 23.103 9.037 -7.889 21 HG22 THR 4 1HG2 THR 4 22.028 7.736 -8.402 22 HG23 THR 4 2HG2 THR 4 23.659 7.846 -9.064 23 H SER 5 H SER 5 23.635 8.688 -3.384 24 HA SER 5 HA SER 5 20.870 7.954 -3.069 25 HB2 SER 5 2HB SER 5 22.680 7.813 -1.268 26 HB3 SER 5 3HB SER 5 22.515 9.562 -1.115 27 HG SER 5 HG SER 5 20.512 9.324 -0.328 28 H MET 6 H MET 6 19.172 9.194 -3.485 29 HA MET 6 HA MET 6 19.013 11.942 -2.882 30 HB2 MET 6 2HB MET 6 18.955 12.920 -5.091 31 HB3 MET 6 3HB MET 6 20.496 12.104 -4.866 32 HG2 MET 6 2HG MET 6 18.647 10.264 -6.005 33 HG3 MET 6 3HG MET 6 18.612 11.761 -6.935 34 HE1 MET 6 3HE MET 6 20.655 12.281 -8.835 35 HE2 MET 6 1HE MET 6 20.877 13.054 -7.265 36 HE3 MET 6 2HE MET 6 22.235 12.249 -8.052 37 H GLU 7 H GLU 7 17.028 12.903 -4.294 38 HA GLU 7 HA GLU 7 14.940 10.822 -4.228 39 HB2 GLU 7 2HB GLU 7 14.902 13.679 -3.299 40 HB3 GLU 7 3HB GLU 7 13.411 12.852 -3.728 41 HG2 GLU 7 2HG GLU 7 13.403 12.332 -1.545 42 HG3 GLU 7 3HG GLU 7 14.468 11.030 -2.073 43 H ASN 8 H ASN 8 15.709 14.011 -5.619 44 HA ASN 8 HA ASN 8 13.823 13.713 -7.752 45 HB2 ASN 8 2HB ASN 8 14.341 15.936 -6.983 46 HB3 ASN 8 3HB ASN 8 16.059 15.695 -7.290 47 HD21 ASN 8 1HD2 ASN 8 12.933 15.627 -8.957 48 HD22 ASN 8 2HD2 ASN 8 13.509 16.326 -10.428 49 H LEU 9 H LEU 9 14.708 11.545 -8.372 50 HA LEU 9 HA LEU 9 17.156 11.662 -9.961 51 HB2 LEU 9 2HB LEU 9 17.083 9.288 -10.017 52 HB3 LEU 9 3HB LEU 9 16.747 9.796 -8.363 53 HG LEU 9 HG LEU 9 14.302 9.432 -9.864 54 HD11 LEU 9 1HD1 LEU 9 14.445 6.994 -10.081 55 HD12 LEU 9 2HD1 LEU 9 16.154 7.062 -9.653 56 HD13 LEU 9 3HD1 LEU 9 15.588 7.818 -11.143 57 HD21 LEU 9 3HD2 LEU 9 14.888 9.469 -7.312 58 HD22 LEU 9 1HD2 LEU 9 15.170 7.746 -7.563 59 HD23 LEU 9 2HD2 LEU 9 13.589 8.441 -7.919 60 H VAL 10 H VAL 10 14.278 12.702 -10.591 61 HA VAL 10 HA VAL 10 13.162 11.331 -12.710 62 HB VAL 10 HB VAL 10 12.230 13.392 -11.616 63 HG11 VAL 10 1HG1 VAL 10 13.755 15.008 -13.611 64 HG12 VAL 10 2HG1 VAL 10 12.969 15.519 -12.116 65 HG13 VAL 10 3HG1 VAL 10 14.487 14.623 -12.055 66 HG21 VAL 10 3HG2 VAL 10 12.251 13.717 -14.596 67 HG22 VAL 10 1HG2 VAL 10 11.477 12.328 -13.832 68 HG23 VAL 10 2HG2 VAL 10 10.923 13.961 -13.462 69 H SER 11 H SER 11 16.050 13.279 -12.630 70 HA SER 11 HA SER 11 16.324 13.661 -15.427 71 HB2 SER 11 2HB SER 11 18.904 13.662 -14.337 72 HB3 SER 11 3HB SER 11 17.868 15.064 -14.600 73 HG SER 11 HG SER 11 18.734 14.189 -12.313 74 H LEU 12 H LEU 12 17.484 11.191 -13.186 75 HA LEU 12 HA LEU 12 18.569 9.679 -15.464 76 HB2 LEU 12 2HB LEU 12 19.894 8.452 -13.880 77 HB3 LEU 12 3HB LEU 12 20.131 10.180 -13.630 78 HG LEU 12 HG LEU 12 18.099 8.852 -11.933 79 HD11 LEU 12 1HD1 LEU 12 20.976 8.129 -11.946 80 HD12 LEU 12 2HD1 LEU 12 19.565 7.164 -11.514 81 HD13 LEU 12 3HD1 LEU 12 20.191 8.365 -10.385 82 HD21 LEU 12 3HD2 LEU 12 18.368 11.100 -11.450 83 HD22 LEU 12 1HD2 LEU 12 20.113 11.053 -11.705 84 HD23 LEU 12 2HD2 LEU 12 19.414 10.327 -10.256 85 H GLN 13 H GLN 13 15.717 9.887 -14.587 86 HA GLN 13 HA GLN 13 15.082 7.279 -13.522 87 HB2 GLN 13 2HB GLN 13 13.637 9.767 -14.101 88 HB3 GLN 13 3HB GLN 13 12.709 8.311 -14.433 89 HG2 GLN 13 2HG GLN 13 13.158 7.534 -12.140 90 HG3 GLN 13 3HG GLN 13 14.009 9.045 -11.820 91 HE21 GLN 13 1HE2 GLN 13 11.965 8.397 -10.216 92 HE22 GLN 13 2HE2 GLN 13 10.593 9.400 -10.529 93 H ASN 14 H ASN 14 15.446 8.738 -16.625 94 HA ASN 14 HA ASN 14 13.970 6.648 -18.000 95 HB2 ASN 14 2HB ASN 14 15.505 9.058 -18.979 96 HB3 ASN 14 3HB ASN 14 14.760 7.886 -20.062 97 HD21 ASN 14 1HD2 ASN 14 14.081 10.140 -17.440 98 HD22 ASN 14 2HD2 ASN 14 12.456 10.483 -17.914 99 H LEU 15 H LEU 15 15.198 4.814 -17.430 100 HA LEU 15 HA LEU 15 16.758 3.199 -17.786 101 HB2 LEU 15 2HB LEU 15 16.712 4.771 -20.185 102 HB3 LEU 15 3HB LEU 15 18.351 4.208 -19.872 103 HG LEU 15 HG LEU 15 17.180 2.686 -21.359 104 HD11 LEU 15 1HD1 LEU 15 17.615 1.548 -18.602 105 HD12 LEU 15 2HD1 LEU 15 18.832 1.740 -19.863 106 HD13 LEU 15 3HD1 LEU 15 17.499 0.606 -20.089 107 HD21 LEU 15 3HD2 LEU 15 14.971 2.514 -21.091 108 HD22 LEU 15 1HD2 LEU 15 15.047 3.046 -19.411 109 HD23 LEU 15 2HD2 LEU 15 15.334 1.353 -19.813 110 H LEU 16 H LEU 16 19.332 3.035 -18.274 111 HA LEU 16 HA LEU 16 20.527 4.530 -16.109 112 HB2 LEU 16 2HB LEU 16 20.908 2.078 -16.574 113 HB3 LEU 16 3HB LEU 16 21.881 2.580 -17.956 114 HG LEU 16 HG LEU 16 23.272 3.896 -16.238 115 HD11 LEU 16 1HD1 LEU 16 21.309 3.065 -14.514 116 HD12 LEU 16 2HD1 LEU 16 22.904 3.660 -14.051 117 HD13 LEU 16 3HD1 LEU 16 22.617 1.926 -14.194 118 HD21 LEU 16 3HD2 LEU 16 23.640 1.535 -17.417 119 HD22 LEU 16 1HD2 LEU 16 23.577 0.992 -15.740 120 HD23 LEU 16 2HD2 LEU 16 24.771 2.193 -16.235 121 H VAL 17 H VAL 17 19.928 6.440 -17.774 122 HA VAL 17 HA VAL 17 22.491 7.161 -19.027 123 HB VAL 17 HB VAL 17 21.368 8.242 -20.872 124 HG11 VAL 17 1HG1 VAL 17 20.003 5.602 -20.848 125 HG12 VAL 17 2HG1 VAL 17 20.980 6.361 -22.107 126 HG13 VAL 17 3HG1 VAL 17 21.760 5.632 -20.703 127 HG21 VAL 17 3HG2 VAL 17 19.301 9.008 -20.528 128 HG22 VAL 17 1HG2 VAL 17 18.743 7.363 -20.834 129 HG23 VAL 17 2HG2 VAL 17 19.036 7.902 -19.180 130 H TYR 18 H TYR 18 22.181 9.673 -19.717 131 HA TYR 18 HA TYR 18 20.870 11.152 -17.575 132 HB2 TYR 18 2HB TYR 18 23.799 10.843 -17.874 133 HB3 TYR 18 3HB TYR 18 23.224 12.478 -17.569 134 HD1 TYR 18 HD1 TYR 18 22.076 13.020 -15.468 135 HD2 TYR 18 HD2 TYR 18 23.668 9.139 -16.180 136 HE1 TYR 18 HE1 TYR 18 21.903 12.514 -13.067 137 HE2 TYR 18 HE2 TYR 18 23.498 8.623 -13.781 138 HH TYR 18 HH TYR 18 23.137 9.487 -11.733 139 H VAL 19 H VAL 19 19.677 12.586 -18.629 140 HA VAL 19 HA VAL 19 20.747 14.632 -20.210 141 HB VAL 19 HB VAL 19 21.083 13.026 -21.959 142 HG11 VAL 19 1HG1 VAL 19 18.167 12.301 -21.714 143 HG12 VAL 19 2HG1 VAL 19 19.342 11.604 -22.832 144 HG13 VAL 19 3HG1 VAL 19 19.502 11.328 -21.097 145 HG21 VAL 19 3HG2 VAL 19 18.587 14.623 -22.529 146 HG22 VAL 19 1HG2 VAL 19 20.243 15.225 -22.631 147 HG23 VAL 19 2HG2 VAL 19 19.693 13.961 -23.732 148 H ASN 20 H ASN 20 19.338 16.288 -20.276 149 HA ASN 20 HA ASN 20 16.500 15.906 -20.386 150 HB2 ASN 20 2HB ASN 20 17.691 15.901 -17.826 151 HB3 ASN 20 3HB ASN 20 16.915 17.471 -18.007 152 HD21 ASN 20 1HD2 ASN 20 16.288 14.030 -18.585 153 HD22 ASN 20 2HD2 ASN 20 14.633 14.073 -18.088 154 H TRP 21 H TRP 21 15.524 17.664 -21.225 155 HA TRP 21 HA TRP 21 16.383 20.329 -20.839 156 HB2 TRP 21 2HB TRP 21 17.440 20.868 -22.867 157 HB3 TRP 21 3HB TRP 21 18.180 19.341 -22.394 158 HD1 TRP 21 HD1 TRP 21 16.529 20.973 -25.262 159 HE1 TRP 21 HE1 TRP 21 15.993 19.253 -27.100 160 HE3 TRP 21 HE3 TRP 21 17.290 16.676 -22.598 161 HZ2 TRP 21 HZ2 TRP 21 15.903 16.445 -27.383 162 HZ3 TRP 21 HZ3 TRP 21 16.957 14.515 -23.726 163 HH2 TRP 21 HH2 TRP 21 16.278 14.404 -26.069 164 H SER 22 H SER 22 15.512 21.489 -23.215 165 HA SER 22 HA SER 22 12.933 21.991 -22.975 166 HB2 SER 22 2HB SER 22 14.376 21.462 -25.575 167 HB3 SER 22 3HB SER 22 12.756 22.152 -25.502 168 HG SER 22 HG SER 22 13.548 23.957 -24.588 169 H SER 23 H SER 23 14.067 19.181 -24.849 170 HA SER 23 HA SER 23 11.411 18.126 -25.128 171 HB2 SER 23 2HB SER 23 13.644 17.802 -26.592 172 HB3 SER 23 3HB SER 23 13.755 16.360 -25.583 173 HG SER 23 HG SER 23 12.056 15.538 -26.553 174 H TYR 24 H TYR 24 11.429 18.411 -22.570 175 HA TYR 24 HA TYR 24 12.636 16.597 -20.880 176 HB2 TYR 24 2HB TYR 24 10.246 18.293 -20.791 177 HB3 TYR 24 3HB TYR 24 10.136 16.868 -19.765 178 HD1 TYR 24 HD2 TYR 24 12.272 19.818 -20.502 179 HD2 TYR 24 HD1 TYR 24 11.214 16.810 -17.684 180 HE1 TYR 24 HE2 TYR 24 13.628 20.951 -18.793 181 HE2 TYR 24 HE1 TYR 24 12.568 17.935 -15.966 182 HH TYR 24 HH TYR 24 14.645 19.561 -16.032 183 HA PRO 25 HA PRO 25 10.964 12.634 -21.768 184 HB2 PRO 25 2HB PRO 25 11.045 11.498 -19.303 185 HB3 PRO 25 3HB PRO 25 12.494 11.799 -20.270 186 HG2 PRO 25 2HG PRO 25 11.356 13.403 -18.013 187 HG3 PRO 25 3HG PRO 25 13.045 12.972 -18.339 188 HD2 PRO 25 2HD PRO 25 12.021 15.405 -18.939 189 HD3 PRO 25 3HD PRO 25 13.302 14.643 -19.904 190 H LYS 26 H LYS 26 8.960 11.879 -22.047 191 HA LYS 26 HA LYS 26 6.713 13.130 -20.876 192 HB2 LYS 26 2HB LYS 26 6.932 10.539 -22.418 193 HB3 LYS 26 3HB LYS 26 5.415 11.326 -22.002 194 HG2 LYS 26 2HG LYS 26 5.711 13.013 -23.520 195 HG3 LYS 26 3HG LYS 26 7.470 12.881 -23.489 196 HD2 LYS 26 2HD LYS 26 6.750 12.059 -25.601 197 HD3 LYS 26 3HD LYS 26 7.217 10.655 -24.637 198 HE2 LYS 26 2HE LYS 26 5.158 10.173 -25.788 199 HE3 LYS 26 3HE LYS 26 4.834 10.314 -24.060 200 HZ1 LYS 26 3HZ LYS 26 4.535 12.717 -25.698 201 HZ2 LYS 26 1HZ LYS 26 3.658 12.219 -24.340 202 HZ3 LYS 26 2HZ LYS 26 3.351 11.519 -25.849 203 H TYR 27 H TYR 27 5.131 12.262 -19.465 204 HA TYR 27 HA TYR 27 6.053 11.127 -17.131 205 HB2 TYR 27 2HB TYR 27 3.974 11.617 -16.478 206 HB3 TYR 27 3HB TYR 27 3.559 11.974 -18.151 207 HD1 TYR 27 HD2 TYR 27 3.528 9.362 -15.545 208 HD2 TYR 27 HD1 TYR 27 2.209 10.480 -19.432 209 HE1 TYR 27 HE2 TYR 27 1.962 7.466 -15.553 210 HE2 TYR 27 HE1 TYR 27 0.640 8.587 -19.452 211 HH TYR 27 HH TYR 27 0.290 6.475 -18.392 212 H GLU 28 H GLU 28 6.526 9.134 -16.450 213 HA GLU 28 HA GLU 28 5.870 6.884 -18.236 214 HB2 GLU 28 2HB GLU 28 8.149 6.950 -16.263 215 HB3 GLU 28 3HB GLU 28 7.886 5.806 -17.571 216 HG2 GLU 28 2HG GLU 28 8.234 7.636 -19.192 217 HG3 GLU 28 3HG GLU 28 8.601 8.716 -17.848 218 HA PRO 29 HA PRO 29 3.363 5.781 -14.656 219 HB2 PRO 29 2HB PRO 29 1.960 3.856 -15.958 220 HB3 PRO 29 3HB PRO 29 1.590 5.578 -16.102 221 HG2 PRO 29 2HG PRO 29 3.137 3.811 -17.958 222 HG3 PRO 29 3HG PRO 29 1.924 5.046 -18.341 223 HD2 PRO 29 2HD PRO 29 4.584 5.500 -18.558 224 HD3 PRO 29 3HD PRO 29 3.430 6.776 -18.117 225 H GLY 30 H GLY 30 4.003 4.427 -13.103 226 HA2 GLY 30 2HA GLY 30 4.365 2.179 -12.321 227 HA3 GLY 30 3HA GLY 30 5.085 1.800 -13.878 228 H LYS 31 H LYS 31 5.923 4.789 -12.369 229 HA LYS 31 HA LYS 31 8.374 3.654 -11.242 230 HB2 LYS 31 2HB LYS 31 9.198 4.241 -13.361 231 HB3 LYS 31 3HB LYS 31 8.220 5.700 -13.438 232 HG2 LYS 31 2HG LYS 31 9.706 6.928 -12.251 233 HG3 LYS 31 3HG LYS 31 10.226 5.555 -11.271 234 HD2 LYS 31 2HD LYS 31 10.950 5.102 -14.003 235 HD3 LYS 31 3HD LYS 31 11.526 6.693 -13.501 236 HE2 LYS 31 2HE LYS 31 13.288 5.443 -12.791 237 HE3 LYS 31 3HE LYS 31 12.272 5.316 -11.356 238 HZ1 LYS 31 3HZ LYS 31 13.308 3.220 -12.645 239 HZ2 LYS 31 1HZ LYS 31 11.791 3.311 -13.388 240 HZ3 LYS 31 2HZ LYS 31 11.902 3.146 -11.708 241 H GLU 32 H GLU 32 8.502 4.353 -9.222 242 HA GLU 32 HA GLU 32 6.949 6.249 -8.001 243 HB2 GLU 32 2HB GLU 32 8.430 6.164 -6.153 244 HB3 GLU 32 3HB GLU 32 8.500 4.577 -6.906 245 HG2 GLU 32 2HG GLU 32 10.519 5.876 -8.184 246 HG3 GLU 32 3HG GLU 32 10.583 6.602 -6.579 247 H TYR 33 H TYR 33 6.994 8.419 -7.682 248 HA TYR 33 HA TYR 33 9.167 9.923 -8.988 249 HB2 TYR 33 2HB TYR 33 6.196 10.446 -9.009 250 HB3 TYR 33 3HB TYR 33 7.374 11.688 -9.418 251 HD1 TYR 33 HD1 TYR 33 9.094 11.038 -11.284 252 HD2 TYR 33 HD2 TYR 33 5.363 9.083 -10.687 253 HE1 TYR 33 HE1 TYR 33 9.160 10.217 -13.602 254 HE2 TYR 33 HE2 TYR 33 5.418 8.257 -13.003 255 HH TYR 33 HH TYR 33 8.198 8.881 -15.111 256 H ASN 34 H ASN 34 10.355 10.740 -7.384 257 HA ASN 34 HA ASN 34 9.224 11.461 -4.843 258 HB2 ASN 34 2HB ASN 34 12.001 12.101 -5.843 259 HB3 ASN 34 3HB ASN 34 11.463 11.968 -4.171 260 HD21 ASN 34 1HD2 ASN 34 12.151 10.193 -7.105 261 HD22 ASN 34 2HD2 ASN 34 12.368 8.654 -6.351 262 H GLN 35 H GLN 35 9.883 13.664 -3.892 263 HA GLN 35 HA GLN 35 8.510 15.677 -5.282 264 HB2 GLN 35 2HB GLN 35 9.054 17.109 -3.490 265 HB3 GLN 35 3HB GLN 35 8.938 15.506 -2.776 266 HG2 GLN 35 2HG GLN 35 11.563 15.572 -3.361 267 HG3 GLN 35 3HG GLN 35 11.261 17.286 -3.078 268 HE21 GLN 35 1HE2 GLN 35 9.330 17.150 -1.123 269 HE22 GLN 35 2HE2 GLN 35 10.013 16.476 0.313 270 H GLY 36 H GLY 36 9.135 17.274 -6.635 271 HA2 GLY 36 2HA GLY 36 10.719 18.799 -7.554 272 HA3 GLY 36 3HA GLY 36 12.007 17.704 -7.070 273 H ASP 37 H ASP 37 10.409 15.400 -8.165 274 HA ASP 37 HA ASP 37 11.648 15.187 -10.650 275 HB2 ASP 37 2HB ASP 37 9.259 13.754 -9.490 276 HB3 ASP 37 3HB ASP 37 9.959 13.326 -11.048 277 H ILE 38 H ILE 38 11.120 15.749 -12.686 278 HA ILE 38 HA ILE 38 8.470 16.955 -13.133 279 HB ILE 38 HB ILE 38 11.103 17.938 -14.240 280 HG12 ILE 38 2HG1 ILE 38 9.397 19.797 -12.753 281 HG13 ILE 38 3HG1 ILE 38 9.973 18.451 -11.776 282 HG21 ILE 38 1HG2 ILE 38 8.380 18.262 -15.155 283 HG22 ILE 38 2HG2 ILE 38 9.119 19.813 -14.757 284 HG23 ILE 38 3HG2 ILE 38 9.892 18.742 -15.925 285 HD11 ILE 38 3HD1 ILE 38 11.453 20.373 -11.623 286 HD12 ILE 38 1HD1 ILE 38 12.268 18.995 -12.363 287 HD13 ILE 38 2HD1 ILE 38 11.701 20.328 -13.367 288 H VAL 39 H VAL 39 7.407 16.327 -14.926 289 HA VAL 39 HA VAL 39 8.860 14.928 -17.045 290 HB VAL 39 HB VAL 39 7.352 13.063 -17.098 291 HG11 VAL 39 1HG1 VAL 39 8.123 13.400 -14.209 292 HG12 VAL 39 2HG1 VAL 39 8.017 11.907 -15.143 293 HG13 VAL 39 3HG1 VAL 39 9.297 13.071 -15.483 294 HG21 VAL 39 3HG2 VAL 39 5.748 12.939 -14.990 295 HG22 VAL 39 1HG2 VAL 39 5.817 14.694 -15.149 296 HG23 VAL 39 2HG2 VAL 39 5.248 13.709 -16.496 297 H GLU 40 H GLU 40 7.809 14.916 -19.063 298 HA GLU 40 HA GLU 40 5.949 17.112 -19.407 299 HB2 GLU 40 2HB GLU 40 7.807 16.935 -20.957 300 HB3 GLU 40 3HB GLU 40 7.322 15.306 -21.404 301 HG2 GLU 40 2HG GLU 40 5.278 17.388 -21.775 302 HG3 GLU 40 3HG GLU 40 6.698 17.508 -22.813 303 H TYR 41 H TYR 41 3.927 16.950 -20.445 304 HA TYR 41 HA TYR 41 2.796 14.319 -20.918 305 HB2 TYR 41 2HB TYR 41 2.497 14.841 -18.453 306 HB3 TYR 41 3HB TYR 41 1.443 16.161 -18.947 307 HD1 TYR 41 HD1 TYR 41 1.873 12.479 -19.364 308 HD2 TYR 41 HD2 TYR 41 -0.828 15.763 -19.228 309 HE1 TYR 41 HE1 TYR 41 -0.022 10.916 -19.470 310 HE2 TYR 41 HE2 TYR 41 -2.731 14.210 -19.332 311 HH TYR 41 HH TYR 41 -3.277 12.006 -19.949 312 H ASN 42 H ASN 42 1.930 14.554 -22.864 313 HA ASN 42 HA ASN 42 0.817 15.414 -24.654 314 HB2 ASN 42 2HB ASN 42 -0.761 16.704 -22.420 315 HB3 ASN 42 3HB ASN 42 -1.252 16.729 -24.111 316 HD21 ASN 42 1HD2 ASN 42 -2.883 15.665 -22.203 317 HD22 ASN 42 2HD2 ASN 42 -2.981 13.952 -22.405 318 H GLY 43 H GLY 43 3.151 16.869 -23.612 319 HA2 GLY 43 2HA GLY 43 4.260 18.697 -24.577 320 HA3 GLY 43 3HA GLY 43 2.710 19.334 -25.103 321 H LYS 44 H LYS 44 2.884 18.328 -21.835 322 HA LYS 44 HA LYS 44 3.021 21.147 -20.994 323 HB2 LYS 44 2HB LYS 44 0.998 19.342 -20.563 324 HB3 LYS 44 3HB LYS 44 1.921 19.221 -19.071 325 HG2 LYS 44 2HG LYS 44 0.795 20.993 -18.359 326 HG3 LYS 44 3HG LYS 44 1.722 21.947 -19.520 327 HD2 LYS 44 2HD LYS 44 0.005 21.634 -21.199 328 HD3 LYS 44 3HD LYS 44 -0.898 20.573 -20.115 329 HE2 LYS 44 2HE LYS 44 -0.909 22.587 -18.510 330 HE3 LYS 44 3HE LYS 44 -0.460 23.534 -19.927 331 HZ1 LYS 44 3HZ LYS 44 -2.506 23.358 -20.790 332 HZ2 LYS 44 1HZ LYS 44 -2.981 22.999 -19.207 333 HZ3 LYS 44 2HZ LYS 44 -2.704 21.749 -20.312 334 H LEU 45 H LEU 45 3.515 21.066 -18.410 335 HA LEU 45 HA LEU 45 5.760 19.278 -17.891 336 HB2 LEU 45 2HB LEU 45 5.924 22.256 -18.115 337 HB3 LEU 45 3HB LEU 45 6.997 21.390 -17.017 338 HG LEU 45 HG LEU 45 6.830 21.002 -20.006 339 HD11 LEU 45 1HD1 LEU 45 8.317 22.632 -20.188 340 HD12 LEU 45 2HD1 LEU 45 9.387 21.816 -19.049 341 HD13 LEU 45 3HD1 LEU 45 8.169 22.948 -18.459 342 HD21 LEU 45 3HD2 LEU 45 7.445 18.919 -19.144 343 HD22 LEU 45 1HD2 LEU 45 8.411 19.634 -17.853 344 HD23 LEU 45 2HD2 LEU 45 8.982 19.698 -19.520 345 H TYR 46 H TYR 46 5.256 18.371 -16.015 346 HA TYR 46 HA TYR 46 4.072 20.063 -13.912 347 HB2 TYR 46 2HB TYR 46 3.722 17.092 -14.354 348 HB3 TYR 46 3HB TYR 46 3.035 18.009 -13.018 349 HD1 TYR 46 HD2 TYR 46 2.815 17.289 -16.601 350 HD2 TYR 46 HD1 TYR 46 1.151 19.500 -13.369 351 HE1 TYR 46 HE2 TYR 46 0.831 17.783 -17.969 352 HE2 TYR 46 HE1 TYR 46 -0.839 19.999 -14.727 353 HH TYR 46 HH TYR 46 -1.032 19.052 -18.119 354 H LYS 47 H LYS 47 4.673 19.575 -11.717 355 HA LYS 47 HA LYS 47 7.196 18.097 -11.432 356 HB2 LYS 47 2HB LYS 47 7.893 20.376 -11.553 357 HB3 LYS 47 3HB LYS 47 6.608 20.895 -10.471 358 HG2 LYS 47 2HG LYS 47 7.748 20.313 -8.614 359 HG3 LYS 47 3HG LYS 47 8.498 18.912 -9.381 360 HD2 LYS 47 2HD LYS 47 10.370 20.127 -9.453 361 HD3 LYS 47 3HD LYS 47 9.592 21.054 -10.739 362 HE2 LYS 47 2HE LYS 47 9.793 22.847 -9.435 363 HE3 LYS 47 3HE LYS 47 8.575 22.127 -8.384 364 HZ1 LYS 47 3HZ LYS 47 11.303 21.200 -8.003 365 HZ2 LYS 47 1HZ LYS 47 10.107 21.546 -6.859 366 HZ3 LYS 47 2HZ LYS 47 11.000 22.802 -7.553 367 H ALA 48 H ALA 48 6.975 16.574 -9.943 368 HA ALA 48 HA ALA 48 4.746 16.312 -8.264 369 HB1 ALA 48 1HB ALA 48 6.349 14.502 -9.047 370 HB2 ALA 48 2HB ALA 48 7.405 15.017 -7.731 371 HB3 ALA 48 3HB ALA 48 5.790 14.402 -7.377 372 H LYS 49 H LYS 49 4.229 17.518 -6.570 373 HA LYS 49 HA LYS 49 5.981 19.300 -5.280 374 HB2 LYS 49 2HB LYS 49 3.336 18.180 -4.338 375 HB3 LYS 49 3HB LYS 49 4.162 19.555 -3.615 376 HG2 LYS 49 2HG LYS 49 3.884 20.854 -5.602 377 HG3 LYS 49 3HG LYS 49 3.259 19.458 -6.484 378 HD2 LYS 49 2HD LYS 49 1.224 19.513 -5.392 379 HD3 LYS 49 3HD LYS 49 1.883 20.359 -3.990 380 HE2 LYS 49 2HE LYS 49 2.305 22.182 -5.958 381 HE3 LYS 49 3HE LYS 49 0.818 21.417 -6.517 382 HZ1 LYS 49 3HZ LYS 49 1.238 22.616 -3.831 383 HZ2 LYS 49 1HZ LYS 49 -0.191 21.892 -4.376 384 HZ3 LYS 49 2HZ LYS 49 0.362 23.318 -5.096 385 H TYR 50 H TYR 50 4.677 16.160 -4.233 386 HA TYR 50 HA TYR 50 7.024 15.825 -2.519 387 HB2 TYR 50 2HB TYR 50 5.787 15.266 -0.583 388 HB3 TYR 50 3HB TYR 50 5.048 16.743 -1.192 389 HD1 TYR 50 HD1 TYR 50 3.080 16.220 -2.986 390 HD2 TYR 50 HD2 TYR 50 4.337 13.642 0.157 391 HE1 TYR 50 HE1 TYR 50 0.886 15.110 -3.027 392 HE2 TYR 50 HE2 TYR 50 2.145 12.524 0.124 393 HH TYR 50 HH TYR 50 -0.002 12.705 -0.626 394 H TRP 51 H TRP 51 6.939 13.506 -1.534 395 HA TRP 51 HA TRP 51 7.219 11.655 -3.542 396 HB2 TRP 51 2HB TRP 51 7.708 11.595 -0.913 397 HB3 TRP 51 3HB TRP 51 6.232 10.632 -0.928 398 HD1 TRP 51 HD1 TRP 51 9.716 10.635 -2.636 399 HE1 TRP 51 HE1 TRP 51 10.380 8.190 -3.083 400 HE3 TRP 51 HE3 TRP 51 5.444 8.330 -1.034 401 HZ2 TRP 51 HZ2 TRP 51 9.243 5.622 -2.794 402 HZ3 TRP 51 HZ3 TRP 51 5.312 5.875 -1.153 403 HH2 TRP 51 HH2 TRP 51 7.174 4.551 -2.016 404 H THR 52 H THR 52 5.785 10.962 -4.975 405 HA THR 52 HA THR 52 3.311 9.772 -4.130 406 HB THR 52 HB THR 52 3.069 12.113 -6.018 407 HG1 THR 52 HG1 THR 52 2.228 12.124 -3.309 408 HG21 THR 52 3HG2 THR 52 0.651 11.631 -4.759 409 HG22 THR 52 1HG2 THR 52 1.299 10.018 -5.055 410 HG23 THR 52 2HG2 THR 52 1.088 11.144 -6.397 411 H THR 53 H THR 53 2.358 8.481 -5.730 412 HA THR 53 HA THR 53 3.866 8.263 -8.251 413 HB THR 53 HB THR 53 3.718 5.852 -8.181 414 HG1 THR 53 HG1 THR 53 2.596 4.787 -6.645 415 HG21 THR 53 3HG2 THR 53 5.333 5.415 -6.543 416 HG22 THR 53 1HG2 THR 53 4.680 6.627 -5.442 417 HG23 THR 53 2HG2 THR 53 5.544 7.129 -6.895 418 H SER 54 H SER 54 2.492 8.953 -9.768 419 HA SER 54 HA SER 54 0.280 7.507 -10.589 420 HB2 SER 54 2HB SER 54 -0.314 9.434 -8.461 421 HB3 SER 54 3HB SER 54 -1.311 9.649 -9.901 422 HG SER 54 HG SER 54 -2.266 8.161 -8.484 423 HA PRO 55 HA PRO 55 0.889 10.082 -14.093 424 HB2 PRO 55 2HB PRO 55 -1.501 9.802 -15.347 425 HB3 PRO 55 3HB PRO 55 -0.291 8.516 -15.289 426 HG2 PRO 55 2HG PRO 55 -2.741 8.890 -13.610 427 HG3 PRO 55 3HG PRO 55 -2.107 7.407 -14.349 428 HD2 PRO 55 2HD PRO 55 -1.740 8.003 -11.734 429 HD3 PRO 55 3HD PRO 55 -0.546 7.095 -12.683 430 HA PRO 56 HA PRO 56 -0.740 14.097 -13.303 431 HB2 PRO 56 2HB PRO 56 -0.533 15.203 -15.774 432 HB3 PRO 56 3HB PRO 56 0.867 14.887 -14.742 433 HG2 PRO 56 2HG PRO 56 -0.201 13.277 -17.029 434 HG3 PRO 56 3HG PRO 56 1.479 13.683 -16.635 435 HD2 PRO 56 2HD PRO 56 0.388 11.274 -16.053 436 HD3 PRO 56 3HD PRO 56 1.638 12.025 -15.041 437 H SER 57 H SER 57 -2.727 14.943 -13.152 438 HA SER 57 HA SER 57 -4.604 15.172 -15.198 439 HB2 SER 57 2HB SER 57 -4.983 12.855 -15.279 440 HB3 SER 57 3HB SER 57 -4.855 12.680 -13.529 441 HG SER 57 HG SER 57 -6.927 12.941 -13.457 442 H ASP 58 H ASP 58 -5.037 14.061 -11.841 443 HA ASP 58 HA ASP 58 -5.926 16.749 -11.094 444 HB2 ASP 58 2HB ASP 58 -7.615 14.354 -11.278 445 HB3 ASP 58 3HB ASP 58 -7.718 15.182 -9.727 446 H ASP 59 H ASP 59 -4.770 17.337 -9.394 447 HA ASP 59 HA ASP 59 -3.889 15.265 -7.496 448 HB2 ASP 59 2HB ASP 59 -2.271 17.274 -6.854 449 HB3 ASP 59 3HB ASP 59 -1.900 16.176 -8.180 450 HA PRO 60 HA PRO 60 -7.011 17.726 -5.168 451 HB2 PRO 60 2HB PRO 60 -7.958 15.599 -3.773 452 HB3 PRO 60 3HB PRO 60 -8.538 16.024 -5.387 453 HG2 PRO 60 2HG PRO 60 -6.539 13.948 -4.579 454 HG3 PRO 60 3HG PRO 60 -7.850 13.836 -5.768 455 HD2 PRO 60 2HD PRO 60 -5.271 14.254 -6.478 456 HD3 PRO 60 3HD PRO 60 -6.635 14.922 -7.398 457 H TYR 61 H TYR 61 -4.294 15.805 -4.388 458 HA TYR 61 HA TYR 61 -4.338 16.772 -1.606 459 HB2 TYR 61 2HB TYR 61 -2.397 14.876 -1.594 460 HB3 TYR 61 3HB TYR 61 -4.082 14.561 -1.196 461 HD1 TYR 61 HD1 TYR 61 -1.730 14.592 -4.091 462 HD2 TYR 61 HD2 TYR 61 -5.251 12.932 -2.373 463 HE1 TYR 61 HE1 TYR 61 -1.848 12.958 -5.925 464 HE2 TYR 61 HE2 TYR 61 -5.378 11.292 -4.202 465 HH TYR 61 HH TYR 61 -4.276 10.394 -5.949 466 H GLY 62 H GLY 62 -3.008 17.379 -4.564 467 HA2 GLY 62 2HA GLY 62 -1.381 18.945 -5.107 468 HA3 GLY 62 3HA GLY 62 -0.941 19.032 -3.407 469 H SER 63 H SER 63 -0.995 16.345 -5.744 470 HA SER 63 HA SER 63 1.629 15.515 -4.817 471 HB2 SER 63 2HB SER 63 1.259 13.516 -6.176 472 HB3 SER 63 3HB SER 63 -0.154 13.835 -5.169 473 HG SER 63 HG SER 63 -1.227 14.624 -6.945 474 H TRP 64 H TRP 64 0.298 17.372 -7.335 475 HA TRP 64 HA TRP 64 2.906 17.418 -8.681 476 HB2 TRP 64 2HB TRP 64 0.207 17.028 -9.956 477 HB3 TRP 64 3HB TRP 64 1.551 17.720 -10.859 478 HD1 TRP 64 HD1 TRP 64 0.133 14.445 -9.721 479 HE1 TRP 64 HE1 TRP 64 1.658 12.520 -10.493 480 HE3 TRP 64 HE3 TRP 64 4.175 17.175 -11.251 481 HZ2 TRP 64 HZ2 TRP 64 4.234 12.201 -11.603 482 HZ3 TRP 64 HZ3 TRP 64 6.130 15.984 -12.155 483 HH2 TRP 64 HH2 TRP 64 6.156 13.548 -12.326 484 H GLU 65 H GLU 65 3.219 19.369 -10.020 485 HA GLU 65 HA GLU 65 1.489 21.624 -9.365 486 HB2 GLU 65 2HB GLU 65 3.239 21.507 -7.588 487 HB3 GLU 65 3HB GLU 65 4.463 21.699 -8.835 488 HG2 GLU 65 2HG GLU 65 3.583 23.884 -9.402 489 HG3 GLU 65 3HG GLU 65 2.295 23.691 -8.213 490 H TYR 66 H TYR 66 0.951 22.207 -11.378 491 HA TYR 66 HA TYR 66 2.564 21.906 -13.659 492 HB2 TYR 66 2HB TYR 66 0.243 22.096 -14.033 493 HB3 TYR 66 3HB TYR 66 0.121 23.568 -13.076 494 HD1 TYR 66 HD2 TYR 66 0.788 25.721 -14.013 495 HD2 TYR 66 HD1 TYR 66 0.993 22.160 -16.333 496 HE1 TYR 66 HE2 TYR 66 1.007 27.072 -16.057 497 HE2 TYR 66 HE1 TYR 66 1.215 23.502 -18.383 498 HH TYR 66 HH TYR 66 0.881 26.996 -18.336 499 H LEU 67 H LEU 67 4.430 22.900 -14.014 500 HA LEU 67 HA LEU 67 4.854 25.602 -12.973 501 HB2 LEU 67 2HB LEU 67 6.907 23.875 -14.319 502 HB3 LEU 67 3HB LEU 67 7.165 25.232 -13.224 503 HG LEU 67 HG LEU 67 6.037 22.547 -12.432 504 HD11 LEU 67 1HD1 LEU 67 8.209 21.972 -12.715 505 HD12 LEU 67 2HD1 LEU 67 8.352 22.707 -11.118 506 HD13 LEU 67 3HD1 LEU 67 8.787 23.631 -12.556 507 HD21 LEU 67 3HD2 LEU 67 6.090 25.116 -11.134 508 HD22 LEU 67 1HD2 LEU 67 7.025 23.934 -10.219 509 HD23 LEU 67 2HD2 LEU 67 5.337 23.609 -10.611 510 H GLY 68 H GLY 68 4.189 23.942 -15.886 511 HA2 GLY 68 2HA GLY 68 3.624 26.084 -17.455 512 HA3 GLY 68 3HA GLY 68 5.361 25.901 -17.648 513 H GLU 69 H GLU 69 4.783 25.553 -19.920 514 HA GLU 69 HA GLU 69 3.914 22.777 -20.401 515 HB2 GLU 69 2HB GLU 69 3.075 25.283 -21.604 516 HB3 GLU 69 3HB GLU 69 3.662 24.152 -22.815 517 HG2 GLU 69 2HG GLU 69 2.081 22.489 -22.110 518 HG3 GLU 69 3HG GLU 69 1.561 23.501 -20.763 519 H ALA 70 H ALA 70 5.014 21.571 -21.975 520 HA ALA 70 HA ALA 70 7.763 21.777 -22.046 521 HB1 ALA 70 1HB ALA 70 6.818 19.702 -22.609 522 HB2 ALA 70 2HB ALA 70 5.845 20.403 -23.903 523 HB3 ALA 70 3HB ALA 70 7.593 20.272 -24.088 524 H GLU 71 H GLU 71 5.391 23.131 -24.273 525 HA GLU 71 HA GLU 71 7.571 24.644 -25.551 526 HB2 GLU 71 2HB GLU 71 6.249 24.585 -27.656 527 HB3 GLU 71 3HB GLU 71 6.814 23.002 -27.143 528 HG2 GLU 71 2HG GLU 71 4.378 23.082 -25.965 529 HG3 GLU 71 3HG GLU 71 4.086 24.036 -27.418 530 HA PRO 72 HA PRO 72 5.353 28.307 -24.590 531 HB2 PRO 72 2HB PRO 72 6.014 29.891 -26.693 532 HB3 PRO 72 3HB PRO 72 7.156 29.471 -25.411 533 HG2 PRO 72 2HG PRO 72 6.848 28.278 -28.140 534 HG3 PRO 72 3HG PRO 72 8.331 28.708 -27.267 535 HD2 PRO 72 2HD PRO 72 7.411 26.165 -27.413 536 HD3 PRO 72 3HD PRO 72 8.294 26.782 -26.001 537 H THR 73 H THR 73 3.480 29.461 -25.055 538 HA THR 73 HA THR 73 1.973 28.559 -27.424 539 HB THR 73 HB THR 73 0.191 29.445 -25.364 540 HG1 THR 73 HG1 THR 73 0.825 28.326 -23.654 541 HG21 THR 73 3HG2 THR 73 -0.297 27.920 -27.273 542 HG22 THR 73 1HG2 THR 73 -0.827 27.290 -25.714 543 HG23 THR 73 2HG2 THR 73 0.645 26.669 -26.461 Start of MODEL 28 1 H1 GLY 1 H GLY 1 33.663 0.361 -5.240 2 HA2 GLY 1 2HA GLY 1 32.049 1.610 -7.119 3 HA3 GLY 1 3HA GLY 1 31.484 0.415 -5.961 4 HA PRO 2 HA PRO 2 30.828 4.784 -3.954 5 HB2 PRO 2 2HB PRO 2 31.011 6.897 -5.650 6 HB3 PRO 2 3HB PRO 2 32.388 6.284 -4.728 7 HG2 PRO 2 2HG PRO 2 31.647 5.782 -7.584 8 HG3 PRO 2 3HG PRO 2 33.241 6.122 -6.884 9 HD2 PRO 2 2HD PRO 2 32.441 3.619 -7.537 10 HD3 PRO 2 3HD PRO 2 33.534 3.948 -6.178 11 H SER 3 H SER 3 28.771 5.457 -3.673 12 HA SER 3 HA SER 3 27.004 5.710 -5.988 13 HB2 SER 3 2HB SER 3 26.819 3.362 -5.121 14 HB3 SER 3 3HB SER 3 26.254 4.026 -3.589 15 HG SER 3 HG SER 3 24.370 4.422 -4.454 16 H THR 4 H THR 4 25.064 6.895 -5.557 17 HA THR 4 HA THR 4 25.180 8.492 -3.081 18 HB THR 4 HB THR 4 24.199 10.378 -4.418 19 HG1 THR 4 HG1 THR 4 23.632 9.930 -6.399 20 HG21 THR 4 3HG2 THR 4 26.943 9.302 -4.988 21 HG22 THR 4 1HG2 THR 4 26.472 10.629 -3.927 22 HG23 THR 4 2HG2 THR 4 26.400 10.832 -5.677 23 H SER 5 H SER 5 23.014 9.673 -2.725 24 HA SER 5 HA SER 5 20.745 7.986 -3.508 25 HB2 SER 5 2HB SER 5 21.601 8.682 -0.708 26 HB3 SER 5 3HB SER 5 19.919 8.303 -1.079 27 HG SER 5 HG SER 5 20.543 6.311 -0.862 28 H MET 6 H MET 6 18.738 9.027 -3.553 29 HA MET 6 HA MET 6 18.364 11.707 -2.677 30 HB2 MET 6 2HB MET 6 18.259 12.855 -4.773 31 HB3 MET 6 3HB MET 6 19.818 12.046 -4.693 32 HG2 MET 6 2HG MET 6 18.371 10.151 -5.935 33 HG3 MET 6 3HG MET 6 17.539 11.599 -6.497 34 HE1 MET 6 3HE MET 6 20.007 13.669 -6.393 35 HE2 MET 6 1HE MET 6 20.574 13.602 -8.062 36 HE3 MET 6 2HE MET 6 18.845 13.644 -7.721 37 H GLU 7 H GLU 7 16.299 12.607 -4.031 38 HA GLU 7 HA GLU 7 14.349 10.401 -3.958 39 HB2 GLU 7 2HB GLU 7 13.943 13.343 -3.393 40 HB3 GLU 7 3HB GLU 7 12.665 12.135 -3.403 41 HG2 GLU 7 2HG GLU 7 13.067 12.134 -1.191 42 HG3 GLU 7 3HG GLU 7 14.317 10.982 -1.654 43 H ASN 8 H ASN 8 15.005 13.523 -5.537 44 HA ASN 8 HA ASN 8 13.124 13.061 -7.638 45 HB2 ASN 8 2HB ASN 8 13.606 15.335 -7.052 46 HB3 ASN 8 3HB ASN 8 15.334 15.091 -7.292 47 HD21 ASN 8 1HD2 ASN 8 12.267 14.829 -9.049 48 HD22 ASN 8 2HD2 ASN 8 12.875 15.443 -10.546 49 H LEU 9 H LEU 9 13.950 10.891 -8.196 50 HA LEU 9 HA LEU 9 16.430 10.879 -9.741 51 HB2 LEU 9 2HB LEU 9 16.344 8.529 -9.661 52 HB3 LEU 9 3HB LEU 9 15.875 9.091 -8.058 53 HG LEU 9 HG LEU 9 13.505 8.755 -9.580 54 HD11 LEU 9 1HD1 LEU 9 14.532 7.289 -11.101 55 HD12 LEU 9 2HD1 LEU 9 13.739 6.249 -9.917 56 HD13 LEU 9 3HD1 LEU 9 15.482 6.509 -9.836 57 HD21 LEU 9 3HD2 LEU 9 14.770 7.408 -7.217 58 HD22 LEU 9 1HD2 LEU 9 13.208 6.887 -7.851 59 HD23 LEU 9 2HD2 LEU 9 13.413 8.534 -7.257 60 H VAL 10 H VAL 10 13.600 11.977 -10.467 61 HA VAL 10 HA VAL 10 12.469 10.561 -12.543 62 HB VAL 10 HB VAL 10 11.624 12.721 -11.551 63 HG11 VAL 10 1HG1 VAL 10 13.329 14.069 -13.623 64 HG12 VAL 10 2HG1 VAL 10 12.397 14.802 -12.316 65 HG13 VAL 10 3HG1 VAL 10 13.860 13.885 -11.952 66 HG21 VAL 10 3HG2 VAL 10 10.886 11.542 -13.755 67 HG22 VAL 10 1HG2 VAL 10 10.297 13.164 -13.388 68 HG23 VAL 10 2HG2 VAL 10 11.623 12.943 -14.531 69 H SER 11 H SER 11 15.434 12.391 -12.502 70 HA SER 11 HA SER 11 15.744 12.524 -15.343 71 HB2 SER 11 2HB SER 11 17.745 12.892 -13.101 72 HB3 SER 11 3HB SER 11 18.077 13.222 -14.802 73 HG SER 11 HG SER 11 16.280 14.541 -13.065 74 H LEU 12 H LEU 12 17.021 10.436 -12.782 75 HA LEU 12 HA LEU 12 18.299 8.736 -14.791 76 HB2 LEU 12 2HB LEU 12 18.504 8.953 -11.809 77 HB3 LEU 12 3HB LEU 12 19.097 7.526 -12.658 78 HG LEU 12 HG LEU 12 20.534 9.134 -14.018 79 HD11 LEU 12 1HD1 LEU 12 20.184 11.303 -13.709 80 HD12 LEU 12 2HD1 LEU 12 20.883 11.124 -12.100 81 HD13 LEU 12 3HD1 LEU 12 19.138 10.998 -12.321 82 HD21 LEU 12 3HD2 LEU 12 21.109 8.961 -11.063 83 HD22 LEU 12 1HD2 LEU 12 22.278 9.121 -12.374 84 HD23 LEU 12 2HD2 LEU 12 21.342 7.635 -12.203 85 H GLN 13 H GLN 13 15.349 8.926 -14.297 86 HA GLN 13 HA GLN 13 14.515 6.521 -13.032 87 HB2 GLN 13 2HB GLN 13 13.257 8.720 -14.516 88 HB3 GLN 13 3HB GLN 13 12.458 7.168 -14.725 89 HG2 GLN 13 2HG GLN 13 12.306 6.952 -12.273 90 HG3 GLN 13 3HG GLN 13 13.018 8.557 -12.116 91 HE21 GLN 13 1HE2 GLN 13 10.891 8.714 -10.900 92 HE22 GLN 13 2HE2 GLN 13 9.535 9.285 -11.804 93 H ASN 14 H ASN 14 15.816 7.224 -16.110 94 HA ASN 14 HA ASN 14 15.170 4.496 -17.001 95 HB2 ASN 14 2HB ASN 14 14.769 7.072 -18.410 96 HB3 ASN 14 3HB ASN 14 15.440 5.759 -19.373 97 HD21 ASN 14 1HD2 ASN 14 12.772 7.170 -19.265 98 HD22 ASN 14 2HD2 ASN 14 11.619 5.884 -19.195 99 H LEU 15 H LEU 15 17.145 7.132 -18.343 100 HA LEU 15 HA LEU 15 19.506 5.393 -18.063 101 HB2 LEU 15 2HB LEU 15 18.296 6.301 -20.438 102 HB3 LEU 15 3HB LEU 15 19.789 7.219 -20.252 103 HG LEU 15 HG LEU 15 20.622 4.654 -19.772 104 HD11 LEU 15 1HD1 LEU 15 18.805 4.439 -22.146 105 HD12 LEU 15 2HD1 LEU 15 18.267 3.981 -20.531 106 HD13 LEU 15 3HD1 LEU 15 19.643 3.159 -21.267 107 HD21 LEU 15 3HD2 LEU 15 21.809 6.243 -21.126 108 HD22 LEU 15 1HD2 LEU 15 20.543 6.207 -22.354 109 HD23 LEU 15 2HD2 LEU 15 21.542 4.780 -22.075 110 H LEU 16 H LEU 16 21.494 6.421 -17.683 111 HA LEU 16 HA LEU 16 21.381 8.714 -16.049 112 HB2 LEU 16 2HB LEU 16 23.828 7.615 -17.414 113 HB3 LEU 16 3HB LEU 16 23.764 8.575 -15.938 114 HG LEU 16 HG LEU 16 22.578 5.816 -16.141 115 HD11 LEU 16 1HD1 LEU 16 25.366 6.621 -15.987 116 HD12 LEU 16 2HD1 LEU 16 24.658 5.033 -16.284 117 HD13 LEU 16 3HD1 LEU 16 24.871 5.609 -14.630 118 HD21 LEU 16 3HD2 LEU 16 23.174 7.739 -13.922 119 HD22 LEU 16 1HD2 LEU 16 23.051 6.007 -13.618 120 HD23 LEU 16 2HD2 LEU 16 21.674 6.885 -14.282 121 H VAL 17 H VAL 17 22.553 8.253 -19.372 122 HA VAL 17 HA VAL 17 22.880 9.711 -21.089 123 HB VAL 17 HB VAL 17 21.309 11.835 -19.686 124 HG11 VAL 17 1HG1 VAL 17 22.025 12.469 -21.828 125 HG12 VAL 17 2HG1 VAL 17 21.648 10.888 -22.517 126 HG13 VAL 17 3HG1 VAL 17 20.345 11.979 -22.044 127 HG21 VAL 17 3HG2 VAL 17 19.791 10.226 -19.164 128 HG22 VAL 17 1HG2 VAL 17 19.312 10.499 -20.840 129 HG23 VAL 17 2HG2 VAL 17 20.349 9.132 -20.430 130 H TYR 18 H TYR 18 23.858 11.834 -21.670 131 HA TYR 18 HA TYR 18 25.748 12.654 -19.572 132 HB2 TYR 18 2HB TYR 18 27.011 13.596 -21.632 133 HB3 TYR 18 3HB TYR 18 27.023 11.857 -21.356 134 HD1 TYR 18 HD1 TYR 18 24.733 14.298 -23.037 135 HD2 TYR 18 HD2 TYR 18 26.846 10.612 -23.280 136 HE1 TYR 18 HE1 TYR 18 23.835 13.938 -25.300 137 HE2 TYR 18 HE2 TYR 18 25.956 10.244 -25.543 138 HH TYR 18 HH TYR 18 24.930 11.283 -27.310 139 H VAL 19 H VAL 19 23.159 13.735 -19.548 140 HA VAL 19 HA VAL 19 23.773 16.522 -19.565 141 HB VAL 19 HB VAL 19 23.331 16.403 -21.918 142 HG11 VAL 19 1HG1 VAL 19 21.346 14.464 -21.099 143 HG12 VAL 19 2HG1 VAL 19 20.672 15.657 -22.212 144 HG13 VAL 19 3HG1 VAL 19 22.090 14.717 -22.677 145 HG21 VAL 19 3HG2 VAL 19 20.902 17.480 -20.487 146 HG22 VAL 19 1HG2 VAL 19 22.422 18.340 -20.736 147 HG23 VAL 19 2HG2 VAL 19 21.417 17.908 -22.119 148 H ASN 20 H ASN 20 22.586 17.523 -18.057 149 HA ASN 20 HA ASN 20 20.639 16.019 -16.583 150 HB2 ASN 20 2HB ASN 20 20.468 18.132 -15.219 151 HB3 ASN 20 3HB ASN 20 22.091 17.457 -15.332 152 HD21 ASN 20 1HD2 ASN 20 22.735 19.620 -14.697 153 HD22 ASN 20 2HD2 ASN 20 22.900 20.838 -15.911 154 H TRP 21 H TRP 21 19.436 15.946 -18.838 155 HA TRP 21 HA TRP 21 16.981 17.221 -18.499 156 HB2 TRP 21 2HB TRP 21 17.898 19.309 -19.106 157 HB3 TRP 21 3HB TRP 21 18.873 18.602 -20.392 158 HD1 TRP 21 HD1 TRP 21 15.042 18.697 -19.692 159 HE1 TRP 21 HE1 TRP 21 13.862 19.335 -21.889 160 HE3 TRP 21 HE3 TRP 21 19.146 19.197 -22.700 161 HZ2 TRP 21 HZ2 TRP 21 14.578 19.966 -24.546 162 HZ3 TRP 21 HZ3 TRP 21 18.811 19.820 -25.057 163 HH2 TRP 21 HH2 TRP 21 16.574 20.196 -25.959 164 H SER 22 H SER 22 18.713 16.913 -21.577 165 HA SER 22 HA SER 22 18.101 15.763 -23.470 166 HB2 SER 22 2HB SER 22 19.236 14.111 -21.599 167 HB3 SER 22 3HB SER 22 17.757 13.239 -21.999 168 HG SER 22 HG SER 22 18.406 13.046 -24.063 169 H SER 23 H SER 23 15.866 16.986 -22.266 170 HA SER 23 HA SER 23 13.593 17.002 -22.362 171 HB2 SER 23 2HB SER 23 14.459 15.294 -24.541 172 HB3 SER 23 3HB SER 23 12.882 14.796 -23.930 173 HG SER 23 HG SER 23 12.349 16.349 -25.317 174 H TYR 24 H TYR 24 12.927 16.516 -20.340 175 HA TYR 24 HA TYR 24 13.208 14.169 -18.938 176 HB2 TYR 24 2HB TYR 24 10.971 16.197 -18.829 177 HB3 TYR 24 3HB TYR 24 11.175 14.905 -17.650 178 HD1 TYR 24 HD2 TYR 24 14.016 14.856 -17.133 179 HD2 TYR 24 HD1 TYR 24 11.470 18.202 -17.789 180 HE1 TYR 24 HE2 TYR 24 15.556 16.274 -15.841 181 HE2 TYR 24 HE1 TYR 24 13.003 19.629 -16.501 182 HH TYR 24 HH TYR 24 15.359 18.457 -14.498 183 HA PRO 25 HA PRO 25 10.548 11.160 -20.710 184 HB2 PRO 25 2HB PRO 25 9.773 9.781 -18.503 185 HB3 PRO 25 3HB PRO 25 11.403 9.678 -19.177 186 HG2 PRO 25 2HG PRO 25 10.411 11.295 -16.862 187 HG3 PRO 25 3HG PRO 25 11.905 10.350 -17.008 188 HD2 PRO 25 2HD PRO 25 11.848 13.040 -17.309 189 HD3 PRO 25 3HD PRO 25 12.984 12.004 -18.195 190 H LYS 26 H LYS 26 8.343 10.397 -20.810 191 HA LYS 26 HA LYS 26 6.449 12.472 -20.053 192 HB2 LYS 26 2HB LYS 26 6.314 10.091 -21.890 193 HB3 LYS 26 3HB LYS 26 4.869 10.989 -21.443 194 HG2 LYS 26 2HG LYS 26 5.415 12.775 -22.716 195 HG3 LYS 26 3HG LYS 26 7.149 12.574 -22.450 196 HD2 LYS 26 2HD LYS 26 6.317 10.314 -23.894 197 HD3 LYS 26 3HD LYS 26 5.529 11.697 -24.657 198 HE2 LYS 26 2HE LYS 26 7.878 12.788 -24.515 199 HE3 LYS 26 3HE LYS 26 8.448 11.133 -24.306 200 HZ1 LYS 26 3HZ LYS 26 7.341 12.431 -26.662 201 HZ2 LYS 26 1HZ LYS 26 6.878 10.823 -26.413 202 HZ3 LYS 26 2HZ LYS 26 8.517 11.220 -26.544 203 H TYR 27 H TYR 27 4.333 11.874 -19.157 204 HA TYR 27 HA TYR 27 4.486 10.607 -16.723 205 HB2 TYR 27 2HB TYR 27 2.526 11.719 -16.723 206 HB3 TYR 27 3HB TYR 27 2.333 11.557 -18.466 207 HD1 TYR 27 HD1 TYR 27 2.068 9.542 -15.333 208 HD2 TYR 27 HD2 TYR 27 0.638 10.207 -19.285 209 HE1 TYR 27 HE1 TYR 27 0.310 7.859 -14.974 210 HE2 TYR 27 HE2 TYR 27 -1.124 8.526 -18.937 211 HH TYR 27 HH TYR 27 -2.355 7.582 -16.721 212 H GLU 28 H GLU 28 4.833 8.569 -16.174 213 HA GLU 28 HA GLU 28 3.871 6.441 -17.973 214 HB2 GLU 28 2HB GLU 28 6.495 6.968 -17.366 215 HB3 GLU 28 3HB GLU 28 6.087 5.734 -16.182 216 HG2 GLU 28 2HG GLU 28 5.035 4.699 -18.483 217 HG3 GLU 28 3HG GLU 28 6.486 5.516 -19.061 218 HA PRO 29 HA PRO 29 1.484 5.565 -14.261 219 HB2 PRO 29 2HB PRO 29 -0.152 3.767 -15.468 220 HB3 PRO 29 3HB PRO 29 -0.371 5.515 -15.615 221 HG2 PRO 29 2HG PRO 29 0.912 3.600 -17.524 222 HG3 PRO 29 3HG PRO 29 -0.202 4.937 -17.861 223 HD2 PRO 29 2HD PRO 29 2.473 5.146 -18.217 224 HD3 PRO 29 3HD PRO 29 1.464 6.524 -17.732 225 H GLY 30 H GLY 30 2.096 4.178 -12.728 226 HA2 GLY 30 2HA GLY 30 2.280 1.902 -11.945 227 HA3 GLY 30 3HA GLY 30 2.899 1.458 -13.529 228 H LYS 31 H LYS 31 4.058 4.371 -12.093 229 HA LYS 31 HA LYS 31 6.431 3.043 -11.020 230 HB2 LYS 31 2HB LYS 31 7.278 3.458 -13.153 231 HB3 LYS 31 3HB LYS 31 6.387 4.965 -13.322 232 HG2 LYS 31 2HG LYS 31 7.966 6.182 -12.251 233 HG3 LYS 31 3HG LYS 31 8.419 4.855 -11.176 234 HD2 LYS 31 2HD LYS 31 9.090 4.088 -13.822 235 HD3 LYS 31 3HD LYS 31 9.692 5.729 -13.571 236 HE2 LYS 31 2HE LYS 31 10.853 5.011 -11.557 237 HE3 LYS 31 3HE LYS 31 10.208 3.382 -11.747 238 HZ1 LYS 31 3HZ LYS 31 11.803 2.876 -13.187 239 HZ2 LYS 31 1HZ LYS 31 12.573 4.317 -12.750 240 HZ3 LYS 31 2HZ LYS 31 11.553 4.279 -14.099 241 H GLU 32 H GLU 32 6.690 3.801 -9.033 242 HA GLU 32 HA GLU 32 5.377 5.892 -7.850 243 HB2 GLU 32 2HB GLU 32 6.872 5.704 -6.034 244 HB3 GLU 32 3HB GLU 32 6.810 4.099 -6.750 245 HG2 GLU 32 2HG GLU 32 8.897 5.287 -8.083 246 HG3 GLU 32 3HG GLU 32 9.049 5.926 -6.447 247 H TYR 33 H TYR 33 5.806 8.048 -7.417 248 HA TYR 33 HA TYR 33 8.013 9.270 -8.932 249 HB2 TYR 33 2HB TYR 33 5.129 10.146 -8.812 250 HB3 TYR 33 3HB TYR 33 6.425 11.217 -9.333 251 HD1 TYR 33 HD2 TYR 33 7.902 10.367 -11.291 252 HD2 TYR 33 HD1 TYR 33 4.066 8.779 -10.364 253 HE1 TYR 33 HE2 TYR 33 7.726 9.476 -13.577 254 HE2 TYR 33 HE1 TYR 33 3.878 7.883 -12.647 255 HH TYR 33 HH TYR 33 5.851 7.179 -14.514 256 H ASN 34 H ASN 34 9.367 10.067 -7.467 257 HA ASN 34 HA ASN 34 8.501 10.885 -4.855 258 HB2 ASN 34 2HB ASN 34 11.201 11.169 -6.193 259 HB3 ASN 34 3HB ASN 34 10.874 11.426 -4.481 260 HD21 ASN 34 1HD2 ASN 34 12.756 9.719 -4.843 261 HD22 ASN 34 2HD2 ASN 34 12.237 8.080 -4.671 262 H GLN 35 H GLN 35 9.177 13.035 -3.958 263 HA GLN 35 HA GLN 35 7.894 15.112 -5.313 264 HB2 GLN 35 2HB GLN 35 8.511 16.494 -3.532 265 HB3 GLN 35 3HB GLN 35 8.464 14.892 -2.812 266 HG2 GLN 35 2HG GLN 35 10.904 14.732 -3.051 267 HG3 GLN 35 3HG GLN 35 10.928 16.365 -3.712 268 HE21 GLN 35 1HE2 GLN 35 9.802 14.558 -0.881 269 HE22 GLN 35 2HE2 GLN 35 10.156 15.798 0.268 270 H GLY 36 H GLY 36 8.558 16.718 -6.652 271 HA2 GLY 36 2HA GLY 36 10.134 18.129 -7.701 272 HA3 GLY 36 3HA GLY 36 11.417 17.048 -7.175 273 H ASP 37 H ASP 37 9.665 14.754 -8.183 274 HA ASP 37 HA ASP 37 10.939 14.372 -10.640 275 HB2 ASP 37 2HB ASP 37 8.558 13.083 -9.334 276 HB3 ASP 37 3HB ASP 37 9.049 12.621 -10.962 277 H ILE 38 H ILE 38 10.505 14.983 -12.667 278 HA ILE 38 HA ILE 38 7.913 16.289 -13.187 279 HB ILE 38 HB ILE 38 10.599 16.980 -14.384 280 HG12 ILE 38 2HG1 ILE 38 8.802 18.610 -12.577 281 HG13 ILE 38 3HG1 ILE 38 10.228 17.735 -12.032 282 HG21 ILE 38 1HG2 ILE 38 7.907 17.457 -15.299 283 HG22 ILE 38 2HG2 ILE 38 8.746 18.975 -14.981 284 HG23 ILE 38 3HG2 ILE 38 9.441 17.800 -16.097 285 HD11 ILE 38 3HD1 ILE 38 11.665 19.233 -12.951 286 HD12 ILE 38 1HD1 ILE 38 10.559 19.667 -14.254 287 HD13 ILE 38 2HD1 ILE 38 10.300 20.302 -12.628 288 H VAL 39 H VAL 39 6.760 15.602 -14.892 289 HA VAL 39 HA VAL 39 8.071 13.907 -16.900 290 HB VAL 39 HB VAL 39 6.360 12.253 -16.845 291 HG11 VAL 39 1HG1 VAL 39 8.073 11.887 -15.202 292 HG12 VAL 39 2HG1 VAL 39 7.254 12.942 -14.049 293 HG13 VAL 39 3HG1 VAL 39 6.523 11.405 -14.513 294 HG21 VAL 39 3HG2 VAL 39 4.927 14.246 -15.159 295 HG22 VAL 39 1HG2 VAL 39 4.334 13.263 -16.498 296 HG23 VAL 39 2HG2 VAL 39 4.591 12.532 -14.914 297 H GLU 40 H GLU 40 7.116 13.920 -18.951 298 HA GLU 40 HA GLU 40 5.561 16.300 -19.511 299 HB2 GLU 40 2HB GLU 40 7.407 15.865 -20.981 300 HB3 GLU 40 3HB GLU 40 6.843 14.229 -21.293 301 HG2 GLU 40 2HG GLU 40 4.864 15.138 -22.420 302 HG3 GLU 40 3HG GLU 40 5.469 16.770 -22.137 303 H TYR 41 H TYR 41 3.444 16.363 -19.915 304 HA TYR 41 HA TYR 41 2.050 13.877 -20.613 305 HB2 TYR 41 2HB TYR 41 1.793 14.229 -18.187 306 HB3 TYR 41 3HB TYR 41 1.129 15.830 -18.493 307 HD1 TYR 41 HD2 TYR 41 0.517 12.209 -18.972 308 HD2 TYR 41 HD1 TYR 41 -1.159 16.119 -19.014 309 HE1 TYR 41 HE2 TYR 41 -1.736 11.235 -19.134 310 HE2 TYR 41 HE1 TYR 41 -3.416 15.157 -19.175 311 HH TYR 41 HH TYR 41 -4.626 13.264 -19.029 312 H ASN 42 H ASN 42 1.195 14.246 -22.546 313 HA ASN 42 HA ASN 42 0.152 15.255 -24.299 314 HB2 ASN 42 2HB ASN 42 -1.555 15.375 -22.233 315 HB3 ASN 42 3HB ASN 42 -1.348 17.102 -22.517 316 HD21 ASN 42 1HD2 ASN 42 -3.706 15.461 -22.875 317 HD22 ASN 42 2HD2 ASN 42 -4.159 15.614 -24.535 318 H GLY 43 H GLY 43 2.621 16.306 -23.859 319 HA2 GLY 43 2HA GLY 43 3.889 18.090 -24.573 320 HA3 GLY 43 3HA GLY 43 2.399 18.866 -25.090 321 H LYS 44 H LYS 44 2.541 17.856 -21.815 322 HA LYS 44 HA LYS 44 2.987 20.650 -20.988 323 HB2 LYS 44 2HB LYS 44 0.729 19.151 -20.593 324 HB3 LYS 44 3HB LYS 44 1.600 18.886 -19.088 325 HG2 LYS 44 2HG LYS 44 1.165 20.942 -18.349 326 HG3 LYS 44 3HG LYS 44 1.560 21.681 -19.902 327 HD2 LYS 44 2HD LYS 44 -0.592 21.655 -20.613 328 HD3 LYS 44 3HD LYS 44 -0.956 20.135 -19.790 329 HE2 LYS 44 2HE LYS 44 -2.140 21.460 -18.409 330 HE3 LYS 44 3HE LYS 44 -0.568 21.764 -17.670 331 HZ1 LYS 44 3HZ LYS 44 -2.207 23.508 -19.336 332 HZ2 LYS 44 1HZ LYS 44 -0.531 23.609 -19.548 333 HZ3 LYS 44 2HZ LYS 44 -1.208 23.888 -18.024 334 H LEU 45 H LEU 45 3.413 20.512 -18.391 335 HA LEU 45 HA LEU 45 5.364 18.433 -17.800 336 HB2 LEU 45 2HB LEU 45 6.004 21.296 -18.258 337 HB3 LEU 45 3HB LEU 45 6.839 20.467 -16.946 338 HG LEU 45 HG LEU 45 6.884 19.671 -19.856 339 HD11 LEU 45 1HD1 LEU 45 8.300 21.673 -18.532 340 HD12 LEU 45 2HD1 LEU 45 8.670 20.964 -20.104 341 HD13 LEU 45 3HD1 LEU 45 9.418 20.313 -18.645 342 HD21 LEU 45 3HD2 LEU 45 8.934 18.382 -18.541 343 HD22 LEU 45 1HD2 LEU 45 7.415 17.655 -19.064 344 HD23 LEU 45 2HD2 LEU 45 7.583 18.256 -17.413 345 H TYR 46 H TYR 46 4.664 17.680 -15.917 346 HA TYR 46 HA TYR 46 3.741 19.609 -13.889 347 HB2 TYR 46 2HB TYR 46 2.988 16.696 -14.208 348 HB3 TYR 46 3HB TYR 46 2.412 17.765 -12.934 349 HD1 TYR 46 HD1 TYR 46 0.854 19.604 -13.469 350 HD2 TYR 46 HD2 TYR 46 2.058 16.780 -16.415 351 HE1 TYR 46 HE1 TYR 46 -1.024 20.301 -14.895 352 HE2 TYR 46 HE2 TYR 46 0.184 17.470 -17.850 353 HH TYR 46 HH TYR 46 -1.484 18.921 -18.129 354 H LYS 47 H LYS 47 4.292 19.199 -11.689 355 HA LYS 47 HA LYS 47 6.579 17.390 -11.303 356 HB2 LYS 47 2HB LYS 47 7.460 19.647 -11.524 357 HB3 LYS 47 3HB LYS 47 6.334 20.234 -10.307 358 HG2 LYS 47 2HG LYS 47 7.542 19.391 -8.579 359 HG3 LYS 47 3HG LYS 47 8.161 18.036 -9.525 360 HD2 LYS 47 2HD LYS 47 10.063 19.299 -9.332 361 HD3 LYS 47 3HD LYS 47 9.405 19.956 -10.832 362 HE2 LYS 47 2HE LYS 47 9.945 21.860 -9.618 363 HE3 LYS 47 3HE LYS 47 8.223 21.662 -9.299 364 HZ1 LYS 47 3HZ LYS 47 10.506 21.227 -7.505 365 HZ2 LYS 47 1HZ LYS 47 9.100 20.314 -7.270 366 HZ3 LYS 47 2HZ LYS 47 9.032 22.003 -7.203 367 H ALA 48 H ALA 48 6.147 15.953 -9.777 368 HA ALA 48 HA ALA 48 3.883 16.066 -8.108 369 HB1 ALA 48 1HB ALA 48 5.223 14.020 -8.878 370 HB2 ALA 48 2HB ALA 48 6.282 14.367 -7.511 371 HB3 ALA 48 3HB ALA 48 4.576 14.013 -7.238 372 H LYS 49 H LYS 49 3.577 17.369 -6.435 373 HA LYS 49 HA LYS 49 5.503 18.943 -5.199 374 HB2 LYS 49 2HB LYS 49 2.977 17.976 -3.859 375 HB3 LYS 49 3HB LYS 49 3.844 19.477 -3.559 376 HG2 LYS 49 2HG LYS 49 3.316 19.872 -6.119 377 HG3 LYS 49 3HG LYS 49 1.994 18.759 -5.761 378 HD2 LYS 49 2HD LYS 49 0.881 20.292 -4.560 379 HD3 LYS 49 3HD LYS 49 2.346 20.853 -3.752 380 HE2 LYS 49 2HE LYS 49 2.921 22.029 -5.923 381 HE3 LYS 49 3HE LYS 49 1.275 21.670 -6.442 382 HZ1 LYS 49 3HZ LYS 49 2.209 23.698 -4.664 383 HZ2 LYS 49 1HZ LYS 49 0.985 22.767 -3.957 384 HZ3 LYS 49 2HZ LYS 49 0.708 23.548 -5.431 385 H TYR 50 H TYR 50 4.135 15.841 -4.134 386 HA TYR 50 HA TYR 50 6.565 15.348 -2.595 387 HB2 TYR 50 2HB TYR 50 4.995 14.456 -0.719 388 HB3 TYR 50 3HB TYR 50 5.329 16.181 -0.812 389 HD1 TYR 50 HD1 TYR 50 2.919 13.888 -2.530 390 HD2 TYR 50 HD2 TYR 50 3.484 17.436 -0.249 391 HE1 TYR 50 HE1 TYR 50 0.504 14.342 -2.648 392 HE2 TYR 50 HE2 TYR 50 1.071 17.899 -0.360 393 HH TYR 50 HH TYR 50 -0.896 17.241 -1.143 394 H TRP 51 H TRP 51 6.324 13.032 -1.555 395 HA TRP 51 HA TRP 51 6.334 11.166 -3.573 396 HB2 TRP 51 2HB TRP 51 6.944 11.076 -0.955 397 HB3 TRP 51 3HB TRP 51 5.417 10.199 -0.921 398 HD1 TRP 51 HD1 TRP 51 8.833 10.022 -2.746 399 HE1 TRP 51 HE1 TRP 51 9.336 7.549 -3.249 400 HE3 TRP 51 HE3 TRP 51 4.482 7.949 -1.043 401 HZ2 TRP 51 HZ2 TRP 51 8.056 5.050 -2.962 402 HZ3 TRP 51 HZ3 TRP 51 4.200 5.509 -1.194 403 HH2 TRP 51 HH2 TRP 51 5.951 4.091 -2.134 404 H THR 52 H THR 52 4.756 10.631 -4.922 405 HA THR 52 HA THR 52 2.251 9.634 -3.929 406 HB THR 52 HB THR 52 2.181 12.094 -5.687 407 HG1 THR 52 HG1 THR 52 1.588 13.193 -3.894 408 HG21 THR 52 3HG2 THR 52 0.246 11.075 -6.303 409 HG22 THR 52 1HG2 THR 52 -0.333 11.789 -4.798 410 HG23 THR 52 2HG2 THR 52 0.166 10.097 -4.837 411 H THR 53 H THR 53 1.094 8.448 -5.476 412 HA THR 53 HA THR 53 2.446 8.111 -8.073 413 HB THR 53 HB THR 53 2.025 5.734 -8.015 414 HG1 THR 53 HG1 THR 53 1.131 4.824 -6.044 415 HG21 THR 53 3HG2 THR 53 3.675 5.113 -6.505 416 HG22 THR 53 1HG2 THR 53 3.154 6.285 -5.296 417 HG23 THR 53 2HG2 THR 53 4.012 6.828 -6.739 418 H SER 54 H SER 54 1.100 8.981 -9.522 419 HA SER 54 HA SER 54 -1.309 7.806 -10.245 420 HB2 SER 54 2HB SER 54 -2.661 8.581 -8.592 421 HB3 SER 54 3HB SER 54 -1.554 9.885 -8.161 422 HG SER 54 HG SER 54 -3.344 10.830 -9.050 423 HA PRO 55 HA PRO 55 -0.532 10.260 -13.801 424 HB2 PRO 55 2HB PRO 55 -2.994 10.289 -14.945 425 HB3 PRO 55 3HB PRO 55 -1.960 8.855 -14.926 426 HG2 PRO 55 2HG PRO 55 -4.262 9.556 -13.144 427 HG3 PRO 55 3HG PRO 55 -3.861 7.999 -13.893 428 HD2 PRO 55 2HD PRO 55 -3.300 8.557 -11.304 429 HD3 PRO 55 3HD PRO 55 -2.279 7.494 -12.295 430 HA PRO 56 HA PRO 56 -1.580 14.454 -12.956 431 HB2 PRO 56 2HB PRO 56 -1.273 15.528 -15.431 432 HB3 PRO 56 3HB PRO 56 0.091 15.024 -14.426 433 HG2 PRO 56 2HG PRO 56 -1.227 13.578 -16.690 434 HG3 PRO 56 3HG PRO 56 0.500 13.753 -16.329 435 HD2 PRO 56 2HD PRO 56 -0.895 11.512 -15.725 436 HD3 PRO 56 3HD PRO 56 0.465 12.086 -14.738 437 H SER 57 H SER 57 -3.379 15.687 -12.867 438 HA SER 57 HA SER 57 -5.273 16.030 -14.888 439 HB2 SER 57 2HB SER 57 -6.037 13.821 -14.726 440 HB3 SER 57 3HB SER 57 -5.835 13.779 -12.975 441 HG SER 57 HG SER 57 -7.661 15.576 -14.128 442 H ASP 58 H ASP 58 -5.873 15.314 -11.460 443 HA ASP 58 HA ASP 58 -6.175 18.175 -10.925 444 HB2 ASP 58 2HB ASP 58 -8.426 17.600 -11.394 445 HB3 ASP 58 3HB ASP 58 -8.300 16.077 -10.518 446 H ASP 59 H ASP 59 -5.038 18.672 -9.183 447 HA ASP 59 HA ASP 59 -4.549 16.577 -7.174 448 HB2 ASP 59 2HB ASP 59 -2.658 18.382 -6.581 449 HB3 ASP 59 3HB ASP 59 -2.415 17.110 -7.775 450 HA PRO 60 HA PRO 60 -7.287 19.619 -5.056 451 HB2 PRO 60 2HB PRO 60 -8.613 17.741 -3.612 452 HB3 PRO 60 3HB PRO 60 -9.069 18.184 -5.261 453 HG2 PRO 60 2HG PRO 60 -7.466 15.845 -4.303 454 HG3 PRO 60 3HG PRO 60 -8.744 15.897 -5.531 455 HD2 PRO 60 2HD PRO 60 -6.113 15.853 -6.168 456 HD3 PRO 60 3HD PRO 60 -7.320 16.696 -7.159 457 H TYR 61 H TYR 61 -4.961 17.299 -4.100 458 HA TYR 61 HA TYR 61 -4.912 18.396 -1.366 459 HB2 TYR 61 2HB TYR 61 -3.329 16.189 -1.216 460 HB3 TYR 61 3HB TYR 61 -5.048 16.201 -0.840 461 HD1 TYR 61 HD2 TYR 61 -2.759 15.758 -3.760 462 HD2 TYR 61 HD1 TYR 61 -6.412 14.651 -1.880 463 HE1 TYR 61 HE2 TYR 61 -3.148 14.081 -5.516 464 HE2 TYR 61 HE1 TYR 61 -6.811 12.970 -3.631 465 HH TYR 61 HH TYR 61 -4.717 11.692 -5.463 466 H GLY 62 H GLY 62 -3.403 18.583 -4.306 467 HA2 GLY 62 2HA GLY 62 -1.525 19.860 -4.832 468 HA3 GLY 62 3HA GLY 62 -1.094 19.883 -3.128 469 H SER 63 H SER 63 -1.622 17.229 -5.444 470 HA SER 63 HA SER 63 0.858 16.001 -4.516 471 HB2 SER 63 2HB SER 63 0.082 13.980 -5.546 472 HB3 SER 63 3HB SER 63 -1.291 14.687 -4.694 473 HG SER 63 HG SER 63 -1.630 13.928 -6.941 474 H TRP 64 H TRP 64 -0.291 17.888 -7.087 475 HA TRP 64 HA TRP 64 2.202 17.420 -8.557 476 HB2 TRP 64 2HB TRP 64 -0.586 17.202 -9.636 477 HB3 TRP 64 3HB TRP 64 0.711 17.769 -10.685 478 HD1 TRP 64 HD1 TRP 64 -0.826 14.648 -9.347 479 HE1 TRP 64 HE1 TRP 64 0.539 12.599 -10.096 480 HE3 TRP 64 HE3 TRP 64 3.322 17.045 -11.131 481 HZ2 TRP 64 HZ2 TRP 64 3.043 12.069 -11.288 482 HZ3 TRP 64 HZ3 TRP 64 5.157 15.694 -12.059 483 HH2 TRP 64 HH2 TRP 64 5.020 13.258 -12.134 484 H GLU 65 H GLU 65 2.808 19.188 -9.966 485 HA GLU 65 HA GLU 65 1.382 21.703 -9.560 486 HB2 GLU 65 2HB GLU 65 3.324 21.250 -7.835 487 HB3 GLU 65 3HB GLU 65 4.347 21.731 -9.182 488 HG2 GLU 65 2HG GLU 65 2.056 23.444 -8.314 489 HG3 GLU 65 3HG GLU 65 3.607 23.510 -7.480 490 H TYR 66 H TYR 66 1.064 22.506 -11.517 491 HA TYR 66 HA TYR 66 2.609 21.687 -13.779 492 HB2 TYR 66 2HB TYR 66 0.356 22.110 -14.268 493 HB3 TYR 66 3HB TYR 66 0.345 23.621 -13.365 494 HD1 TYR 66 HD1 TYR 66 1.314 22.011 -16.522 495 HD2 TYR 66 HD2 TYR 66 1.107 25.675 -14.370 496 HE1 TYR 66 HE1 TYR 66 1.725 23.251 -18.606 497 HE2 TYR 66 HE2 TYR 66 1.517 26.925 -16.448 498 HH TYR 66 HH TYR 66 1.084 25.846 -19.360 499 H LEU 67 H LEU 67 4.588 22.426 -14.150 500 HA LEU 67 HA LEU 67 5.367 25.078 -13.234 501 HB2 LEU 67 2HB LEU 67 7.083 23.063 -14.660 502 HB3 LEU 67 3HB LEU 67 7.606 24.425 -13.672 503 HG LEU 67 HG LEU 67 6.106 22.071 -12.544 504 HD11 LEU 67 1HD1 LEU 67 8.919 22.313 -13.338 505 HD12 LEU 67 2HD1 LEU 67 7.941 20.878 -13.030 506 HD13 LEU 67 3HD1 LEU 67 8.660 21.761 -11.683 507 HD21 LEU 67 3HD2 LEU 67 6.617 22.924 -10.466 508 HD22 LEU 67 1HD2 LEU 67 6.338 24.398 -11.393 509 HD23 LEU 67 2HD2 LEU 67 7.986 23.861 -11.067 510 H GLY 68 H GLY 68 4.759 23.326 -16.203 511 HA2 GLY 68 2HA GLY 68 4.204 25.565 -17.741 512 HA3 GLY 68 3HA GLY 68 5.914 25.229 -17.972 513 H GLU 69 H GLU 69 5.199 24.943 -20.233 514 HA GLU 69 HA GLU 69 3.945 22.324 -20.699 515 HB2 GLU 69 2HB GLU 69 3.535 24.847 -21.894 516 HB3 GLU 69 3HB GLU 69 4.326 23.850 -23.107 517 HG2 GLU 69 2HG GLU 69 2.343 22.998 -23.580 518 HG3 GLU 69 3HG GLU 69 2.377 22.204 -22.007 519 H ALA 70 H ALA 70 4.839 20.931 -22.323 520 HA ALA 70 HA ALA 70 7.536 20.416 -22.088 521 HB1 ALA 70 1HB ALA 70 7.193 19.163 -24.328 522 HB2 ALA 70 2HB ALA 70 6.281 18.650 -22.907 523 HB3 ALA 70 3HB ALA 70 5.505 19.641 -24.143 524 H GLU 71 H GLU 71 5.901 22.082 -24.782 525 HA GLU 71 HA GLU 71 8.489 23.317 -25.454 526 HB2 GLU 71 2HB GLU 71 6.851 21.644 -27.084 527 HB3 GLU 71 3HB GLU 71 6.821 23.266 -27.759 528 HG2 GLU 71 2HG GLU 71 9.495 22.442 -27.003 529 HG3 GLU 71 3HG GLU 71 8.757 21.349 -28.172 530 HA PRO 72 HA PRO 72 5.898 26.884 -24.519 531 HB2 PRO 72 2HB PRO 72 7.975 28.626 -24.360 532 HB3 PRO 72 3HB PRO 72 7.529 27.539 -23.039 533 HG2 PRO 72 2HG PRO 72 9.691 27.242 -25.089 534 HG3 PRO 72 3HG PRO 72 9.748 26.915 -23.347 535 HD2 PRO 72 2HD PRO 72 9.450 24.953 -25.190 536 HD3 PRO 72 3HD PRO 72 8.724 24.862 -23.573 537 H THR 73 H THR 73 5.077 28.467 -25.804 538 HA THR 73 HA THR 73 5.776 28.448 -28.581 539 HB THR 73 HB THR 73 4.081 30.474 -28.538 540 HG1 THR 73 HG1 THR 73 2.657 30.259 -26.741 541 HG21 THR 73 3HG2 THR 73 2.627 28.970 -29.344 542 HG22 THR 73 1HG2 THR 73 2.605 28.055 -27.837 543 HG23 THR 73 2HG2 THR 73 3.881 27.772 -29.022 Start of MODEL 29 1 H1 GLY 1 H GLY 1 32.534 8.038 -3.439 2 HA2 GLY 1 2HA GLY 1 31.973 9.481 -5.870 3 HA3 GLY 1 3HA GLY 1 32.206 7.747 -5.714 4 HA PRO 2 HA PRO 2 27.906 7.002 -6.056 5 HB2 PRO 2 2HB PRO 2 27.429 5.103 -4.176 6 HB3 PRO 2 3HB PRO 2 28.325 4.778 -5.664 7 HG2 PRO 2 2HG PRO 2 29.362 5.324 -2.909 8 HG3 PRO 2 3HG PRO 2 29.902 4.114 -4.089 9 HD2 PRO 2 2HD PRO 2 31.212 6.451 -3.697 10 HD3 PRO 2 3HD PRO 2 31.149 5.644 -5.278 11 H SER 3 H SER 3 25.827 7.302 -5.109 12 HA SER 3 HA SER 3 25.887 9.087 -2.786 13 HB2 SER 3 2HB SER 3 23.602 8.603 -4.709 14 HB3 SER 3 3HB SER 3 23.739 9.903 -3.525 15 HG SER 3 HG SER 3 24.500 10.911 -5.233 16 H THR 4 H THR 4 23.829 8.970 -1.404 17 HA THR 4 HA THR 4 23.077 6.162 -0.935 18 HB THR 4 HB THR 4 23.258 7.925 1.441 19 HG1 THR 4 HG1 THR 4 25.568 6.814 0.186 20 HG21 THR 4 3HG2 THR 4 24.420 5.196 1.283 21 HG22 THR 4 1HG2 THR 4 22.669 5.346 1.141 22 HG23 THR 4 2HG2 THR 4 23.494 5.958 2.575 23 H SER 5 H SER 5 22.266 9.569 -0.447 24 HA SER 5 HA SER 5 19.453 8.792 -0.064 25 HB2 SER 5 2HB SER 5 21.128 10.702 1.276 26 HB3 SER 5 3HB SER 5 19.781 11.544 0.513 27 HG SER 5 HG SER 5 18.373 10.096 1.585 28 H MET 6 H MET 6 18.002 9.297 -1.576 29 HA MET 6 HA MET 6 18.356 11.567 -3.320 30 HB2 MET 6 2HB MET 6 19.686 9.649 -4.342 31 HB3 MET 6 3HB MET 6 18.142 8.851 -4.610 32 HG2 MET 6 2HG MET 6 17.410 10.629 -6.045 33 HG3 MET 6 3HG MET 6 18.855 11.570 -5.679 34 HE1 MET 6 3HE MET 6 21.281 11.138 -7.208 35 HE2 MET 6 1HE MET 6 20.556 11.018 -8.811 36 HE3 MET 6 2HE MET 6 19.839 12.076 -7.595 37 H GLU 7 H GLU 7 16.425 12.439 -3.698 38 HA GLU 7 HA GLU 7 14.051 10.703 -3.504 39 HB2 GLU 7 2HB GLU 7 12.872 12.824 -2.712 40 HB3 GLU 7 3HB GLU 7 13.968 12.051 -1.577 41 HG2 GLU 7 2HG GLU 7 15.210 14.095 -3.266 42 HG3 GLU 7 3HG GLU 7 13.958 14.695 -2.180 43 H ASN 8 H ASN 8 15.662 11.576 -5.847 44 HA ASN 8 HA ASN 8 13.446 12.336 -7.519 45 HB2 ASN 8 2HB ASN 8 14.073 14.553 -6.866 46 HB3 ASN 8 3HB ASN 8 15.782 14.209 -7.120 47 HD21 ASN 8 1HD2 ASN 8 12.685 14.549 -8.754 48 HD22 ASN 8 2HD2 ASN 8 13.337 15.036 -10.278 49 H LEU 9 H LEU 9 14.081 10.165 -8.212 50 HA LEU 9 HA LEU 9 16.573 10.007 -9.728 51 HB2 LEU 9 2HB LEU 9 16.241 7.671 -9.810 52 HB3 LEU 9 3HB LEU 9 15.844 8.182 -8.171 53 HG LEU 9 HG LEU 9 13.445 8.182 -9.693 54 HD11 LEU 9 1HD1 LEU 9 14.487 6.684 -11.263 55 HD12 LEU 9 2HD1 LEU 9 13.341 5.781 -10.273 56 HD13 LEU 9 3HD1 LEU 9 15.071 5.658 -9.953 57 HD21 LEU 9 3HD2 LEU 9 14.333 6.195 -7.614 58 HD22 LEU 9 1HD2 LEU 9 12.690 6.716 -7.989 59 HD23 LEU 9 2HD2 LEU 9 13.820 7.837 -7.227 60 H VAL 10 H VAL 10 13.873 11.411 -10.422 61 HA VAL 10 HA VAL 10 12.690 10.209 -12.621 62 HB VAL 10 HB VAL 10 11.922 12.314 -11.471 63 HG11 VAL 10 1HG1 VAL 10 13.791 13.731 -13.352 64 HG12 VAL 10 2HG1 VAL 10 12.813 14.419 -12.055 65 HG13 VAL 10 3HG1 VAL 10 14.204 13.405 -11.669 66 HG21 VAL 10 3HG2 VAL 10 10.650 12.930 -13.275 67 HG22 VAL 10 1HG2 VAL 10 12.010 12.867 -14.395 68 HG23 VAL 10 2HG2 VAL 10 11.255 11.374 -13.840 69 H SER 11 H SER 11 15.743 11.866 -12.365 70 HA SER 11 HA SER 11 16.186 12.403 -15.091 71 HB2 SER 11 2HB SER 11 18.093 11.940 -12.794 72 HB3 SER 11 3HB SER 11 18.633 12.394 -14.410 73 HG SER 11 HG SER 11 16.817 13.872 -12.804 74 H LEU 12 H LEU 12 16.600 9.518 -13.160 75 HA LEU 12 HA LEU 12 17.723 8.115 -15.487 76 HB2 LEU 12 2HB LEU 12 17.639 7.216 -12.613 77 HB3 LEU 12 3HB LEU 12 18.471 6.413 -13.942 78 HG LEU 12 HG LEU 12 19.713 8.777 -14.042 79 HD11 LEU 12 1HD1 LEU 12 19.546 8.524 -11.100 80 HD12 LEU 12 2HD1 LEU 12 18.188 9.295 -11.919 81 HD13 LEU 12 3HD1 LEU 12 19.815 9.946 -12.106 82 HD21 LEU 12 3HD2 LEU 12 20.273 6.361 -12.354 83 HD22 LEU 12 1HD2 LEU 12 21.405 7.711 -12.438 84 HD23 LEU 12 2HD2 LEU 12 20.984 6.823 -13.903 85 H GLN 13 H GLN 13 14.904 8.802 -15.177 86 HA GLN 13 HA GLN 13 13.675 6.173 -14.753 87 HB2 GLN 13 2HB GLN 13 12.633 8.980 -14.762 88 HB3 GLN 13 3HB GLN 13 11.533 7.648 -15.086 89 HG2 GLN 13 2HG GLN 13 12.440 6.633 -12.913 90 HG3 GLN 13 3HG GLN 13 13.069 8.247 -12.590 91 HE21 GLN 13 1HE2 GLN 13 11.786 8.836 -10.936 92 HE22 GLN 13 2HE2 GLN 13 10.068 8.988 -11.036 93 H ASN 14 H ASN 14 14.430 5.249 -16.715 94 HA ASN 14 HA ASN 14 14.195 4.582 -18.877 95 HB2 ASN 14 2HB ASN 14 11.797 6.302 -19.305 96 HB3 ASN 14 3HB ASN 14 12.084 4.634 -19.790 97 HD21 ASN 14 1HD2 ASN 14 12.669 3.350 -17.540 98 HD22 ASN 14 2HD2 ASN 14 11.368 3.443 -16.406 99 H LEU 15 H LEU 15 16.066 6.394 -18.676 100 HA LEU 15 HA LEU 15 15.991 7.756 -21.190 101 HB2 LEU 15 2HB LEU 15 15.003 9.185 -19.040 102 HB3 LEU 15 3HB LEU 15 16.674 9.731 -19.169 103 HG LEU 15 HG LEU 15 15.216 9.697 -21.714 104 HD11 LEU 15 1HD1 LEU 15 14.480 11.924 -19.879 105 HD12 LEU 15 2HD1 LEU 15 13.566 10.417 -19.804 106 HD13 LEU 15 3HD1 LEU 15 13.652 11.321 -21.315 107 HD21 LEU 15 3HD2 LEU 15 17.528 10.702 -21.000 108 HD22 LEU 15 1HD2 LEU 15 16.539 12.065 -20.477 109 HD23 LEU 15 2HD2 LEU 15 16.503 11.545 -22.163 110 H LEU 16 H LEU 16 18.052 8.656 -21.782 111 HA LEU 16 HA LEU 16 20.269 7.716 -20.084 112 HB2 LEU 16 2HB LEU 16 20.265 7.781 -23.094 113 HB3 LEU 16 3HB LEU 16 21.509 7.108 -22.042 114 HG LEU 16 HG LEU 16 19.118 5.747 -21.431 115 HD11 LEU 16 1HD1 LEU 16 18.354 4.888 -23.508 116 HD12 LEU 16 2HD1 LEU 16 19.624 5.728 -24.397 117 HD13 LEU 16 3HD1 LEU 16 18.328 6.648 -23.634 118 HD21 LEU 16 3HD2 LEU 16 20.368 3.851 -21.938 119 HD22 LEU 16 1HD2 LEU 16 21.593 5.040 -21.494 120 HD23 LEU 16 2HD2 LEU 16 21.293 4.677 -23.193 121 H VAL 17 H VAL 17 19.583 10.165 -19.535 122 HA VAL 17 HA VAL 17 20.343 12.298 -21.103 123 HB VAL 17 HB VAL 17 20.657 13.582 -19.069 124 HG11 VAL 17 1HG1 VAL 17 18.358 12.705 -19.848 125 HG12 VAL 17 2HG1 VAL 17 18.448 11.664 -18.426 126 HG13 VAL 17 3HG1 VAL 17 18.491 13.419 -18.241 127 HG21 VAL 17 3HG2 VAL 17 22.009 11.946 -17.838 128 HG22 VAL 17 1HG2 VAL 17 20.659 12.537 -16.870 129 HG23 VAL 17 2HG2 VAL 17 20.578 10.940 -17.613 130 H TYR 18 H TYR 18 22.239 13.542 -21.288 131 HA TYR 18 HA TYR 18 24.723 12.512 -20.211 132 HB2 TYR 18 2HB TYR 18 25.809 12.154 -22.320 133 HB3 TYR 18 3HB TYR 18 24.318 11.218 -22.322 134 HD1 TYR 18 HD1 TYR 18 22.234 12.499 -23.354 135 HD2 TYR 18 HD2 TYR 18 26.304 13.419 -24.186 136 HE1 TYR 18 HE1 TYR 18 21.554 13.581 -25.455 137 HE2 TYR 18 HE2 TYR 18 25.635 14.506 -26.289 138 HH TYR 18 HH TYR 18 23.221 14.078 -27.891 139 H VAL 19 H VAL 19 23.004 14.981 -20.217 140 HA VAL 19 HA VAL 19 25.187 16.864 -20.603 141 HB VAL 19 HB VAL 19 24.128 17.009 -22.755 142 HG11 VAL 19 1HG1 VAL 19 21.957 16.015 -22.026 143 HG12 VAL 19 2HG1 VAL 19 21.524 17.588 -21.351 144 HG13 VAL 19 3HG1 VAL 19 21.793 17.415 -23.086 145 HG21 VAL 19 3HG2 VAL 19 24.644 19.126 -21.215 146 HG22 VAL 19 1HG2 VAL 19 24.007 19.277 -22.853 147 HG23 VAL 19 2HG2 VAL 19 22.919 19.390 -21.469 148 H ASN 20 H ASN 20 21.826 16.346 -19.619 149 HA ASN 20 HA ASN 20 22.151 17.402 -17.058 150 HB2 ASN 20 2HB ASN 20 21.665 19.393 -19.134 151 HB3 ASN 20 3HB ASN 20 20.446 19.435 -17.863 152 HD21 ASN 20 1HD2 ASN 20 22.826 21.158 -18.686 153 HD22 ASN 20 2HD2 ASN 20 23.654 21.442 -17.197 154 H TRP 21 H TRP 21 19.730 17.467 -19.675 155 HA TRP 21 HA TRP 21 17.972 15.841 -17.975 156 HB2 TRP 21 2HB TRP 21 16.098 17.203 -18.310 157 HB3 TRP 21 3HB TRP 21 17.394 18.361 -18.020 158 HD1 TRP 21 HD1 TRP 21 14.701 17.583 -20.430 159 HE1 TRP 21 HE1 TRP 21 14.931 19.037 -22.541 160 HE3 TRP 21 HE3 TRP 21 19.420 19.392 -19.659 161 HZ2 TRP 21 HZ2 TRP 21 16.859 20.727 -23.723 162 HZ3 TRP 21 HZ3 TRP 21 20.384 20.921 -21.327 163 HH2 TRP 21 HH2 TRP 21 19.128 21.573 -23.317 164 H SER 22 H SER 22 18.800 16.992 -21.201 165 HA SER 22 HA SER 22 18.319 16.179 -23.289 166 HB2 SER 22 2HB SER 22 19.964 14.508 -22.096 167 HB3 SER 22 3HB SER 22 18.579 13.416 -22.157 168 HG SER 22 HG SER 22 18.623 13.461 -24.340 169 H SER 23 H SER 23 16.029 16.903 -22.833 170 HA SER 23 HA SER 23 13.773 16.583 -22.915 171 HB2 SER 23 2HB SER 23 14.614 15.551 -25.097 172 HB3 SER 23 3HB SER 23 14.401 13.984 -24.315 173 HG SER 23 HG SER 23 12.471 14.269 -25.197 174 H TYR 24 H TYR 24 13.307 16.295 -20.745 175 HA TYR 24 HA TYR 24 13.708 14.073 -19.175 176 HB2 TYR 24 2HB TYR 24 11.607 16.212 -19.164 177 HB3 TYR 24 3HB TYR 24 11.502 14.876 -18.022 178 HD1 TYR 24 HD1 TYR 24 14.232 14.410 -17.211 179 HD2 TYR 24 HD2 TYR 24 12.265 18.100 -18.001 180 HE1 TYR 24 HE1 TYR 24 15.805 15.564 -15.711 181 HE2 TYR 24 HE2 TYR 24 13.834 19.263 -16.506 182 HH TYR 24 HH TYR 24 16.598 17.616 -15.099 183 HA PRO 25 HA PRO 25 11.044 10.864 -20.538 184 HB2 PRO 25 2HB PRO 25 10.267 9.749 -18.188 185 HB3 PRO 25 3HB PRO 25 11.902 9.578 -18.839 186 HG2 PRO 25 2HG PRO 25 10.888 11.449 -16.733 187 HG3 PRO 25 3HG PRO 25 12.388 10.503 -16.761 188 HD2 PRO 25 2HD PRO 25 12.317 13.140 -17.375 189 HD3 PRO 25 3HD PRO 25 13.463 12.014 -18.130 190 H LYS 26 H LYS 26 8.873 10.217 -20.753 191 HA LYS 26 HA LYS 26 6.956 12.297 -20.080 192 HB2 LYS 26 2HB LYS 26 6.008 11.727 -22.017 193 HB3 LYS 26 3HB LYS 26 7.298 10.556 -22.256 194 HG2 LYS 26 2HG LYS 26 5.925 8.897 -20.998 195 HG3 LYS 26 3HG LYS 26 4.612 10.075 -20.990 196 HD2 LYS 26 2HD LYS 26 4.080 9.656 -23.127 197 HD3 LYS 26 3HD LYS 26 5.770 9.646 -23.636 198 HE2 LYS 26 2HE LYS 26 5.924 7.408 -23.489 199 HE3 LYS 26 3HE LYS 26 4.977 7.343 -22.003 200 HZ1 LYS 26 3HZ LYS 26 3.977 7.468 -24.788 201 HZ2 LYS 26 1HZ LYS 26 2.984 7.759 -23.450 202 HZ3 LYS 26 2HZ LYS 26 3.720 6.248 -23.644 203 H TYR 27 H TYR 27 4.840 11.755 -19.199 204 HA TYR 27 HA TYR 27 4.915 10.484 -16.768 205 HB2 TYR 27 2HB TYR 27 3.003 11.693 -16.858 206 HB3 TYR 27 3HB TYR 27 2.786 11.409 -18.581 207 HD1 TYR 27 HD1 TYR 27 2.303 9.899 -15.231 208 HD2 TYR 27 HD2 TYR 27 1.284 9.761 -19.359 209 HE1 TYR 27 HE1 TYR 27 0.523 8.277 -14.731 210 HE2 TYR 27 HE2 TYR 27 -0.499 8.140 -18.871 211 HH TYR 27 HH TYR 27 -1.948 7.627 -16.591 212 H GLU 28 H GLU 28 5.259 8.441 -16.236 213 HA GLU 28 HA GLU 28 4.257 6.330 -18.031 214 HB2 GLU 28 2HB GLU 28 6.888 6.813 -17.430 215 HB3 GLU 28 3HB GLU 28 6.463 5.592 -16.239 216 HG2 GLU 28 2HG GLU 28 5.389 4.571 -18.540 217 HG3 GLU 28 3HG GLU 28 6.864 5.348 -19.112 218 HA PRO 29 HA PRO 29 1.845 5.461 -14.343 219 HB2 PRO 29 2HB PRO 29 0.246 3.624 -15.543 220 HB3 PRO 29 3HB PRO 29 0.010 5.367 -15.722 221 HG2 PRO 29 2HG PRO 29 1.341 3.434 -17.581 222 HG3 PRO 29 3HG PRO 29 0.218 4.754 -17.956 223 HD2 PRO 29 2HD PRO 29 2.897 4.986 -18.277 224 HD3 PRO 29 3HD PRO 29 1.865 6.360 -17.831 225 H GLY 30 H GLY 30 2.444 4.103 -12.777 226 HA2 GLY 30 2HA GLY 30 2.660 1.863 -11.933 227 HA3 GLY 30 3HA GLY 30 3.258 1.370 -13.511 228 H LYS 31 H LYS 31 4.438 4.320 -12.161 229 HA LYS 31 HA LYS 31 6.842 3.004 -11.134 230 HB2 LYS 31 2HB LYS 31 7.594 3.480 -13.304 231 HB3 LYS 31 3HB LYS 31 6.729 5.010 -13.367 232 HG2 LYS 31 2HG LYS 31 8.378 6.144 -12.324 233 HG3 LYS 31 3HG LYS 31 8.818 4.778 -11.297 234 HD2 LYS 31 2HD LYS 31 9.431 4.004 -13.925 235 HD3 LYS 31 3HD LYS 31 10.008 5.664 -13.758 236 HE2 LYS 31 2HE LYS 31 11.811 4.332 -13.072 237 HE3 LYS 31 3HE LYS 31 11.073 4.895 -11.574 238 HZ1 LYS 31 3HZ LYS 31 10.577 2.823 -10.974 239 HZ2 LYS 31 1HZ LYS 31 11.627 2.310 -12.198 240 HZ3 LYS 31 2HZ LYS 31 9.966 2.419 -12.499 241 H GLU 32 H GLU 32 7.124 3.718 -9.135 242 HA GLU 32 HA GLU 32 5.813 5.762 -7.876 243 HB2 GLU 32 2HB GLU 32 8.149 4.128 -7.324 244 HB3 GLU 32 3HB GLU 32 8.311 5.739 -6.638 245 HG2 GLU 32 2HG GLU 32 7.339 4.204 -5.035 246 HG3 GLU 32 3HG GLU 32 6.190 5.468 -5.470 247 H TYR 33 H TYR 33 6.192 7.916 -7.431 248 HA TYR 33 HA TYR 33 8.356 9.211 -8.949 249 HB2 TYR 33 2HB TYR 33 5.454 10.021 -8.792 250 HB3 TYR 33 3HB TYR 33 6.723 11.125 -9.316 251 HD1 TYR 33 HD1 TYR 33 8.227 10.269 -11.277 252 HD2 TYR 33 HD2 TYR 33 4.374 8.710 -10.368 253 HE1 TYR 33 HE1 TYR 33 8.046 9.397 -13.569 254 HE2 TYR 33 HE2 TYR 33 4.182 7.832 -12.658 255 HH TYR 33 HH TYR 33 6.802 8.271 -15.019 256 H ASN 34 H ASN 34 9.705 9.964 -7.448 257 HA ASN 34 HA ASN 34 8.810 10.775 -4.841 258 HB2 ASN 34 2HB ASN 34 11.544 11.145 -6.079 259 HB3 ASN 34 3HB ASN 34 11.144 11.187 -4.365 260 HD21 ASN 34 1HD2 ASN 34 13.107 9.549 -5.161 261 HD22 ASN 34 2HD2 ASN 34 12.598 7.899 -5.091 262 H GLN 35 H GLN 35 9.749 12.932 -3.972 263 HA GLN 35 HA GLN 35 8.420 15.034 -5.301 264 HB2 GLN 35 2HB GLN 35 9.067 16.394 -3.519 265 HB3 GLN 35 3HB GLN 35 9.014 14.790 -2.801 266 HG2 GLN 35 2HG GLN 35 11.452 14.611 -3.080 267 HG3 GLN 35 3HG GLN 35 11.477 16.251 -3.728 268 HE21 GLN 35 1HE2 GLN 35 10.118 14.542 -0.924 269 HE22 GLN 35 2HE2 GLN 35 10.597 15.724 0.242 270 H GLY 36 H GLY 36 9.116 16.623 -6.644 271 HA2 GLY 36 2HA GLY 36 10.712 17.993 -7.712 272 HA3 GLY 36 3HA GLY 36 11.976 16.894 -7.181 273 H ASP 37 H ASP 37 10.163 14.631 -8.173 274 HA ASP 37 HA ASP 37 11.433 14.207 -10.629 275 HB2 ASP 37 2HB ASP 37 8.952 12.983 -9.422 276 HB3 ASP 37 3HB ASP 37 9.639 12.433 -10.948 277 H ILE 38 H ILE 38 11.013 14.830 -12.653 278 HA ILE 38 HA ILE 38 8.443 16.176 -13.177 279 HB ILE 38 HB ILE 38 11.135 16.802 -14.398 280 HG12 ILE 38 2HG1 ILE 38 9.395 18.434 -12.536 281 HG13 ILE 38 3HG1 ILE 38 10.863 17.585 -12.065 282 HG21 ILE 38 1HG2 ILE 38 8.458 17.317 -15.306 283 HG22 ILE 38 2HG2 ILE 38 9.290 18.832 -14.961 284 HG23 ILE 38 3HG2 ILE 38 9.995 17.676 -16.092 285 HD11 ILE 38 3HD1 ILE 38 11.683 19.684 -12.361 286 HD12 ILE 38 1HD1 ILE 38 11.915 19.039 -13.986 287 HD13 ILE 38 2HD1 ILE 38 10.531 20.076 -13.638 288 H VAL 39 H VAL 39 7.262 15.478 -14.852 289 HA VAL 39 HA VAL 39 8.532 13.736 -16.850 290 HB VAL 39 HB VAL 39 6.781 12.132 -16.778 291 HG11 VAL 39 1HG1 VAL 39 6.892 11.316 -14.439 292 HG12 VAL 39 2HG1 VAL 39 8.466 11.769 -15.095 293 HG13 VAL 39 3HG1 VAL 39 7.633 12.847 -13.974 294 HG21 VAL 39 3HG2 VAL 39 4.786 13.240 -16.487 295 HG22 VAL 39 1HG2 VAL 39 4.981 12.480 -14.908 296 HG23 VAL 39 2HG2 VAL 39 5.383 14.184 -15.122 297 H GLU 40 H GLU 40 7.553 13.726 -18.901 298 HA GLU 40 HA GLU 40 6.017 16.136 -19.464 299 HB2 GLU 40 2HB GLU 40 8.019 15.626 -20.815 300 HB3 GLU 40 3HB GLU 40 7.262 14.136 -21.358 301 HG2 GLU 40 2HG GLU 40 5.628 16.511 -21.805 302 HG3 GLU 40 3HG GLU 40 7.171 16.534 -22.657 303 H TYR 41 H TYR 41 3.899 16.127 -19.804 304 HA TYR 41 HA TYR 41 2.607 13.677 -20.768 305 HB2 TYR 41 2HB TYR 41 2.252 13.574 -18.401 306 HB3 TYR 41 3HB TYR 41 1.795 15.272 -18.335 307 HD1 TYR 41 HD1 TYR 41 -0.397 15.999 -19.209 308 HD2 TYR 41 HD2 TYR 41 0.674 11.886 -19.028 309 HE1 TYR 41 HE1 TYR 41 -2.762 15.378 -19.483 310 HE2 TYR 41 HE2 TYR 41 -1.688 11.254 -19.303 311 HH TYR 41 HH TYR 41 -3.826 12.042 -19.217 312 H ASN 42 H ASN 42 1.489 14.135 -22.532 313 HA ASN 42 HA ASN 42 0.305 15.254 -24.120 314 HB2 ASN 42 2HB ASN 42 -1.203 15.369 -21.953 315 HB3 ASN 42 3HB ASN 42 -0.839 17.089 -22.054 316 HD21 ASN 42 1HD2 ASN 42 -3.342 16.712 -22.258 317 HD22 ASN 42 2HD2 ASN 42 -3.927 16.735 -23.883 318 H GLY 43 H GLY 43 2.951 16.281 -23.250 319 HA2 GLY 43 2HA GLY 43 4.274 17.961 -24.177 320 HA3 GLY 43 3HA GLY 43 2.814 18.791 -24.693 321 H LYS 44 H LYS 44 2.862 17.816 -21.419 322 HA LYS 44 HA LYS 44 3.558 20.561 -20.599 323 HB2 LYS 44 2HB LYS 44 1.320 18.766 -19.782 324 HB3 LYS 44 3HB LYS 44 1.999 19.849 -18.574 325 HG2 LYS 44 2HG LYS 44 1.168 21.706 -19.566 326 HG3 LYS 44 3HG LYS 44 1.308 21.035 -21.193 327 HD2 LYS 44 2HD LYS 44 -0.581 19.432 -19.912 328 HD3 LYS 44 3HD LYS 44 -0.965 21.080 -19.408 329 HE2 LYS 44 2HE LYS 44 -0.631 21.580 -21.973 330 HE3 LYS 44 3HE LYS 44 -0.997 19.862 -22.126 331 HZ1 LYS 44 3HZ LYS 44 -2.722 22.060 -21.279 332 HZ2 LYS 44 1HZ LYS 44 -2.960 20.561 -20.534 333 HZ3 LYS 44 2HZ LYS 44 -3.085 20.699 -22.215 334 H LEU 45 H LEU 45 4.655 20.823 -18.619 335 HA LEU 45 HA LEU 45 6.067 18.400 -17.727 336 HB2 LEU 45 2HB LEU 45 6.866 21.276 -17.904 337 HB3 LEU 45 3HB LEU 45 7.682 20.197 -16.775 338 HG LEU 45 HG LEU 45 7.570 19.877 -19.774 339 HD11 LEU 45 1HD1 LEU 45 9.602 20.841 -19.911 340 HD12 LEU 45 2HD1 LEU 45 10.122 20.228 -18.342 341 HD13 LEU 45 3HD1 LEU 45 9.082 21.649 -18.433 342 HD21 LEU 45 3HD2 LEU 45 9.487 18.196 -19.005 343 HD22 LEU 45 1HD2 LEU 45 7.800 17.705 -19.157 344 HD23 LEU 45 2HD2 LEU 45 8.462 18.106 -17.572 345 H TYR 46 H TYR 46 5.249 17.615 -15.904 346 HA TYR 46 HA TYR 46 4.307 19.509 -13.854 347 HB2 TYR 46 2HB TYR 46 3.534 16.613 -14.265 348 HB3 TYR 46 3HB TYR 46 2.916 17.667 -12.997 349 HD1 TYR 46 HD1 TYR 46 1.498 19.635 -13.626 350 HD2 TYR 46 HD2 TYR 46 2.607 16.646 -16.444 351 HE1 TYR 46 HE1 TYR 46 -0.308 20.381 -15.119 352 HE2 TYR 46 HE2 TYR 46 0.804 17.384 -17.945 353 HH TYR 46 HH TYR 46 -1.260 20.150 -17.117 354 H LYS 47 H LYS 47 4.821 19.107 -11.665 355 HA LYS 47 HA LYS 47 7.038 17.223 -11.221 356 HB2 LYS 47 2HB LYS 47 7.932 19.505 -11.415 357 HB3 LYS 47 3HB LYS 47 6.841 20.042 -10.145 358 HG2 LYS 47 2HG LYS 47 8.075 19.093 -8.488 359 HG3 LYS 47 3HG LYS 47 8.666 17.790 -9.523 360 HD2 LYS 47 2HD LYS 47 10.590 18.968 -9.453 361 HD3 LYS 47 3HD LYS 47 9.814 19.917 -10.723 362 HE2 LYS 47 2HE LYS 47 8.998 21.496 -9.042 363 HE3 LYS 47 3HE LYS 47 9.766 20.545 -7.772 364 HZ1 LYS 47 3HZ LYS 47 11.231 21.814 -10.020 365 HZ2 LYS 47 1HZ LYS 47 11.907 21.038 -8.677 366 HZ3 LYS 47 2HZ LYS 47 11.075 22.497 -8.480 367 H ALA 48 H ALA 48 6.591 15.816 -9.669 368 HA ALA 48 HA ALA 48 4.258 15.960 -8.083 369 HB1 ALA 48 1HB ALA 48 5.227 13.831 -8.702 370 HB2 ALA 48 2HB ALA 48 6.689 14.201 -7.787 371 HB3 ALA 48 3HB ALA 48 5.157 13.970 -6.945 372 H LYS 49 H LYS 49 3.929 17.279 -6.427 373 HA LYS 49 HA LYS 49 5.801 18.846 -5.141 374 HB2 LYS 49 2HB LYS 49 3.285 17.790 -3.848 375 HB3 LYS 49 3HB LYS 49 4.128 19.286 -3.470 376 HG2 LYS 49 2HG LYS 49 3.618 19.684 -6.082 377 HG3 LYS 49 3HG LYS 49 2.241 18.670 -5.642 378 HD2 LYS 49 2HD LYS 49 1.267 20.329 -4.506 379 HD3 LYS 49 3HD LYS 49 2.766 20.734 -3.666 380 HE2 LYS 49 2HE LYS 49 3.501 21.907 -5.763 381 HE3 LYS 49 3HE LYS 49 1.873 21.658 -6.392 382 HZ1 LYS 49 3HZ LYS 49 1.490 23.637 -5.444 383 HZ2 LYS 49 1HZ LYS 49 2.818 23.532 -4.400 384 HZ3 LYS 49 2HZ LYS 49 1.367 22.756 -4.004 385 H TYR 50 H TYR 50 4.680 15.605 -4.304 386 HA TYR 50 HA TYR 50 7.082 15.138 -2.777 387 HB2 TYR 50 2HB TYR 50 5.565 14.286 -0.813 388 HB3 TYR 50 3HB TYR 50 6.005 15.987 -0.913 389 HD1 TYR 50 HD1 TYR 50 3.392 13.994 -2.690 390 HD2 TYR 50 HD2 TYR 50 4.249 17.234 -0.068 391 HE1 TYR 50 HE1 TYR 50 1.010 14.605 -2.676 392 HE2 TYR 50 HE2 TYR 50 1.869 17.852 -0.046 393 HH TYR 50 HH TYR 50 -0.248 17.046 -0.521 394 H TRP 51 H TRP 51 6.719 12.838 -1.611 395 HA TRP 51 HA TRP 51 6.657 10.931 -3.596 396 HB2 TRP 51 2HB TRP 51 7.223 10.890 -0.944 397 HB3 TRP 51 3HB TRP 51 5.697 10.009 -0.957 398 HD1 TRP 51 HD1 TRP 51 9.187 9.834 -2.630 399 HE1 TRP 51 HE1 TRP 51 9.704 7.362 -3.129 400 HE3 TRP 51 HE3 TRP 51 4.748 7.764 -1.166 401 HZ2 TRP 51 HZ2 TRP 51 8.402 4.866 -2.929 402 HZ3 TRP 51 HZ3 TRP 51 4.464 5.327 -1.353 403 HH2 TRP 51 HH2 TRP 51 6.254 3.910 -2.217 404 H THR 52 H THR 52 5.045 10.496 -4.947 405 HA THR 52 HA THR 52 2.513 9.585 -3.939 406 HB THR 52 HB THR 52 2.463 12.007 -5.744 407 HG1 THR 52 HG1 THR 52 1.681 11.971 -3.019 408 HG21 THR 52 3HG2 THR 52 0.428 11.097 -6.144 409 HG22 THR 52 1HG2 THR 52 0.024 11.851 -4.602 410 HG23 THR 52 2HG2 THR 52 0.447 10.140 -4.663 411 H THR 53 H THR 53 1.234 8.544 -5.537 412 HA THR 53 HA THR 53 2.574 8.141 -8.128 413 HB THR 53 HB THR 53 1.112 5.786 -7.311 414 HG1 THR 53 HG1 THR 53 2.526 5.193 -5.600 415 HG21 THR 53 3HG2 THR 53 3.863 6.476 -8.258 416 HG22 THR 53 1HG2 THR 53 2.636 5.467 -9.022 417 HG23 THR 53 2HG2 THR 53 3.535 4.861 -7.631 418 H SER 54 H SER 54 1.254 9.050 -9.572 419 HA SER 54 HA SER 54 -1.227 7.982 -10.241 420 HB2 SER 54 2HB SER 54 -2.406 10.347 -9.569 421 HB3 SER 54 3HB SER 54 -2.520 8.874 -8.606 422 HG SER 54 HG SER 54 -1.679 10.102 -7.114 423 HA PRO 55 HA PRO 55 -0.319 10.293 -13.864 424 HB2 PRO 55 2HB PRO 55 -2.768 10.339 -15.035 425 HB3 PRO 55 3HB PRO 55 -1.766 8.885 -14.960 426 HG2 PRO 55 2HG PRO 55 -4.070 9.689 -13.226 427 HG3 PRO 55 3HG PRO 55 -3.695 8.102 -13.923 428 HD2 PRO 55 2HD PRO 55 -3.148 8.727 -11.347 429 HD3 PRO 55 3HD PRO 55 -2.140 7.613 -12.293 430 HA PRO 56 HA PRO 56 -1.277 14.530 -13.115 431 HB2 PRO 56 2HB PRO 56 -0.828 15.542 -15.594 432 HB3 PRO 56 3HB PRO 56 0.475 15.026 -14.517 433 HG2 PRO 56 2HG PRO 56 -0.777 13.567 -16.811 434 HG3 PRO 56 3HG PRO 56 0.936 13.705 -16.374 435 HD2 PRO 56 2HD PRO 56 -0.545 11.513 -15.791 436 HD3 PRO 56 3HD PRO 56 0.782 12.072 -14.754 437 H SER 57 H SER 57 -3.104 15.691 -13.039 438 HA SER 57 HA SER 57 -4.863 16.177 -15.142 439 HB2 SER 57 2HB SER 57 -5.318 13.638 -13.743 440 HB3 SER 57 3HB SER 57 -6.741 14.679 -13.804 441 HG SER 57 HG SER 57 -6.863 14.401 -15.899 442 H ASP 58 H ASP 58 -5.573 15.216 -11.787 443 HA ASP 58 HA ASP 58 -6.027 18.027 -11.104 444 HB2 ASP 58 2HB ASP 58 -8.162 16.536 -11.776 445 HB3 ASP 58 3HB ASP 58 -8.040 16.106 -10.072 446 H ASP 59 H ASP 59 -4.850 18.450 -9.370 447 HA ASP 59 HA ASP 59 -4.372 16.294 -7.423 448 HB2 ASP 59 2HB ASP 59 -2.473 18.014 -6.740 449 HB3 ASP 59 3HB ASP 59 -2.244 16.877 -8.066 450 HA PRO 60 HA PRO 60 -7.140 19.245 -5.223 451 HB2 PRO 60 2HB PRO 60 -8.450 17.313 -3.838 452 HB3 PRO 60 3HB PRO 60 -8.907 17.798 -5.476 453 HG2 PRO 60 2HG PRO 60 -7.281 15.450 -4.580 454 HG3 PRO 60 3HG PRO 60 -8.556 15.524 -5.810 455 HD2 PRO 60 2HD PRO 60 -5.922 15.526 -6.439 456 HD3 PRO 60 3HD PRO 60 -7.136 16.383 -7.409 457 H TYR 61 H TYR 61 -4.742 16.993 -4.357 458 HA TYR 61 HA TYR 61 -4.752 17.949 -1.570 459 HB2 TYR 61 2HB TYR 61 -3.038 15.809 -1.580 460 HB3 TYR 61 3HB TYR 61 -4.735 15.742 -1.118 461 HD1 TYR 61 HD2 TYR 61 -2.563 15.485 -4.146 462 HD2 TYR 61 HD1 TYR 61 -6.122 14.225 -2.183 463 HE1 TYR 61 HE2 TYR 61 -2.986 13.878 -5.958 464 HE2 TYR 61 HE1 TYR 61 -6.555 12.613 -3.989 465 HH TYR 61 HH TYR 61 -5.789 11.699 -5.865 466 H GLY 62 H GLY 62 -3.250 18.363 -4.490 467 HA2 GLY 62 2HA GLY 62 -1.417 19.691 -4.995 468 HA3 GLY 62 3HA GLY 62 -1.057 19.789 -3.277 469 H SER 63 H SER 63 -1.299 17.051 -5.543 470 HA SER 63 HA SER 63 1.240 16.047 -4.498 471 HB2 SER 63 2HB SER 63 -0.925 14.771 -6.177 472 HB3 SER 63 3HB SER 63 0.611 13.979 -5.823 473 HG SER 63 HG SER 63 -0.699 15.013 -3.628 474 H TRP 64 H TRP 64 0.174 17.930 -7.009 475 HA TRP 64 HA TRP 64 2.627 17.406 -8.521 476 HB2 TRP 64 2HB TRP 64 -0.175 17.319 -9.586 477 HB3 TRP 64 3HB TRP 64 1.138 17.859 -10.628 478 HD1 TRP 64 HD1 TRP 64 -0.521 14.771 -9.379 479 HE1 TRP 64 HE1 TRP 64 0.764 12.688 -10.179 480 HE3 TRP 64 HE3 TRP 64 3.731 17.044 -11.075 481 HZ2 TRP 64 HZ2 TRP 64 3.252 12.090 -11.370 482 HZ3 TRP 64 HZ3 TRP 64 5.517 15.645 -12.030 483 HH2 TRP 64 HH2 TRP 64 5.279 13.219 -12.173 484 H GLU 65 H GLU 65 3.229 19.189 -9.952 485 HA GLU 65 HA GLU 65 1.903 21.735 -9.478 486 HB2 GLU 65 2HB GLU 65 3.821 21.167 -7.735 487 HB3 GLU 65 3HB GLU 65 4.854 21.712 -9.048 488 HG2 GLU 65 2HG GLU 65 3.617 23.839 -9.107 489 HG3 GLU 65 3HG GLU 65 2.654 23.291 -7.736 490 H TYR 66 H TYR 66 1.607 22.489 -11.463 491 HA TYR 66 HA TYR 66 3.200 21.703 -13.688 492 HB2 TYR 66 2HB TYR 66 0.958 22.189 -14.199 493 HB3 TYR 66 3HB TYR 66 0.987 23.704 -13.303 494 HD1 TYR 66 HD2 TYR 66 1.871 22.051 -16.451 495 HD2 TYR 66 HD1 TYR 66 1.909 25.718 -14.293 496 HE1 TYR 66 HE2 TYR 66 2.357 23.265 -18.534 497 HE2 TYR 66 HE1 TYR 66 2.395 26.943 -16.370 498 HH TYR 66 HH TYR 66 3.183 26.650 -18.540 499 H LEU 67 H LEU 67 5.201 22.402 -14.013 500 HA LEU 67 HA LEU 67 5.993 25.051 -13.077 501 HB2 LEU 67 2HB LEU 67 7.825 23.087 -14.393 502 HB3 LEU 67 3HB LEU 67 8.205 24.341 -13.214 503 HG LEU 67 HG LEU 67 6.680 21.812 -12.593 504 HD11 LEU 67 1HD1 LEU 67 8.672 20.816 -12.732 505 HD12 LEU 67 2HD1 LEU 67 9.072 21.698 -11.258 506 HD13 LEU 67 3HD1 LEU 67 9.535 22.351 -12.829 507 HD21 LEU 67 3HD2 LEU 67 6.286 22.686 -10.589 508 HD22 LEU 67 1HD2 LEU 67 6.869 24.231 -11.208 509 HD23 LEU 67 2HD2 LEU 67 7.981 23.133 -10.390 510 H GLY 68 H GLY 68 5.258 23.343 -15.986 511 HA2 GLY 68 2HA GLY 68 4.969 25.541 -17.604 512 HA3 GLY 68 3HA GLY 68 6.658 25.088 -17.774 513 H GLU 69 H GLU 69 5.851 24.854 -20.060 514 HA GLU 69 HA GLU 69 4.589 22.228 -20.473 515 HB2 GLU 69 2HB GLU 69 4.092 24.755 -21.647 516 HB3 GLU 69 3HB GLU 69 4.807 23.747 -22.897 517 HG2 GLU 69 2HG GLU 69 2.817 22.853 -23.233 518 HG3 GLU 69 3HG GLU 69 2.920 22.128 -21.630 519 H ALA 70 H ALA 70 5.430 20.842 -22.118 520 HA ALA 70 HA ALA 70 8.148 20.393 -22.034 521 HB1 ALA 70 1HB ALA 70 6.041 19.564 -23.997 522 HB2 ALA 70 2HB ALA 70 7.727 19.088 -24.212 523 HB3 ALA 70 3HB ALA 70 6.851 18.602 -22.760 524 H GLU 71 H GLU 71 6.316 22.027 -24.616 525 HA GLU 71 HA GLU 71 8.844 23.270 -25.482 526 HB2 GLU 71 2HB GLU 71 6.591 22.152 -27.132 527 HB3 GLU 71 3HB GLU 71 7.688 23.361 -27.782 528 HG2 GLU 71 2HG GLU 71 9.312 21.393 -26.631 529 HG3 GLU 71 3HG GLU 71 8.049 20.534 -27.510 530 HA PRO 72 HA PRO 72 6.365 26.842 -24.294 531 HB2 PRO 72 2HB PRO 72 8.459 28.569 -24.293 532 HB3 PRO 72 3HB PRO 72 8.118 27.471 -22.950 533 HG2 PRO 72 2HG PRO 72 10.098 27.184 -25.178 534 HG3 PRO 72 3HG PRO 72 10.299 26.837 -23.451 535 HD2 PRO 72 2HD PRO 72 9.834 24.897 -25.282 536 HD3 PRO 72 3HD PRO 72 9.246 24.794 -23.610 537 H THR 73 H THR 73 5.384 28.347 -25.532 538 HA THR 73 HA THR 73 6.129 28.494 -28.337 539 HB THR 73 HB THR 73 3.820 29.941 -27.050 540 HG1 THR 73 HG1 THR 73 3.271 27.926 -26.517 541 HG21 THR 73 3HG2 THR 73 2.830 29.536 -29.327 542 HG22 THR 73 1HG2 THR 73 4.416 28.957 -29.837 543 HG23 THR 73 2HG2 THR 73 4.216 30.625 -29.301 Start of MODEL 30 1 H1 GLY 1 H GLY 1 30.341 15.849 -11.063 2 HA2 GLY 1 2HA GLY 1 32.521 14.327 -9.824 3 HA3 GLY 1 3HA GLY 1 31.732 15.572 -8.868 4 HA PRO 2 HA PRO 2 29.485 11.386 -8.680 5 HB2 PRO 2 2HB PRO 2 30.225 10.667 -6.169 6 HB3 PRO 2 3HB PRO 2 31.139 10.204 -7.609 7 HG2 PRO 2 2HG PRO 2 31.653 12.427 -5.671 8 HG3 PRO 2 3HG PRO 2 32.803 11.294 -6.404 9 HD2 PRO 2 2HD PRO 2 32.478 13.825 -7.306 10 HD3 PRO 2 3HD PRO 2 32.904 12.477 -8.379 11 H SER 3 H SER 3 27.625 10.967 -7.396 12 HA SER 3 HA SER 3 26.657 13.343 -5.970 13 HB2 SER 3 2HB SER 3 25.246 11.088 -7.386 14 HB3 SER 3 3HB SER 3 24.391 12.161 -6.278 15 HG SER 3 HG SER 3 24.528 12.690 -8.665 16 H THR 4 H THR 4 25.312 13.018 -4.061 17 HA THR 4 HA THR 4 25.830 10.519 -2.615 18 HB THR 4 HB THR 4 25.995 12.983 -0.984 19 HG1 THR 4 HG1 THR 4 28.118 13.397 -1.595 20 HG21 THR 4 3HG2 THR 4 26.290 11.003 0.218 21 HG22 THR 4 1HG2 THR 4 27.940 11.566 -0.046 22 HG23 THR 4 2HG2 THR 4 27.279 10.271 -1.045 23 H SER 5 H SER 5 24.260 13.699 -2.198 24 HA SER 5 HA SER 5 21.967 12.333 -0.978 25 HB2 SER 5 2HB SER 5 23.133 15.062 -0.742 26 HB3 SER 5 3HB SER 5 21.385 14.911 -0.560 27 HG SER 5 HG SER 5 23.364 14.214 1.158 28 H MET 6 H MET 6 20.222 11.985 -2.168 29 HA MET 6 HA MET 6 19.221 13.972 -3.991 30 HB2 MET 6 2HB MET 6 20.784 12.961 -5.499 31 HB3 MET 6 3HB MET 6 20.284 11.343 -5.025 32 HG2 MET 6 2HG MET 6 18.334 11.440 -6.240 33 HG3 MET 6 3HG MET 6 18.290 13.202 -6.227 34 HE1 MET 6 3HE MET 6 19.972 14.374 -9.202 35 HE2 MET 6 1HE MET 6 18.274 13.925 -9.042 36 HE3 MET 6 2HE MET 6 19.123 14.659 -7.682 37 H GLU 7 H GLU 7 17.060 13.619 -4.588 38 HA GLU 7 HA GLU 7 15.755 11.219 -3.540 39 HB2 GLU 7 2HB GLU 7 15.296 14.022 -2.637 40 HB3 GLU 7 3HB GLU 7 13.901 12.962 -2.776 41 HG2 GLU 7 2HG GLU 7 14.691 11.505 -1.138 42 HG3 GLU 7 3HG GLU 7 16.336 12.127 -1.249 43 H ASN 8 H ASN 8 16.368 12.829 -6.158 44 HA ASN 8 HA ASN 8 13.735 12.306 -7.337 45 HB2 ASN 8 2HB ASN 8 15.260 14.677 -8.322 46 HB3 ASN 8 3HB ASN 8 13.524 14.375 -8.337 47 HD21 ASN 8 1HD2 ASN 8 12.691 14.053 -5.948 48 HD22 ASN 8 2HD2 ASN 8 13.143 15.330 -4.876 49 H LEU 9 H LEU 9 14.675 10.381 -8.150 50 HA LEU 9 HA LEU 9 16.910 10.624 -9.997 51 HB2 LEU 9 2HB LEU 9 16.863 8.217 -10.104 52 HB3 LEU 9 3HB LEU 9 16.821 8.745 -8.422 53 HG LEU 9 HG LEU 9 14.147 8.424 -9.114 54 HD11 LEU 9 1HD1 LEU 9 14.017 6.173 -10.027 55 HD12 LEU 9 2HD1 LEU 9 15.770 6.124 -10.195 56 HD13 LEU 9 3HD1 LEU 9 14.825 7.260 -11.157 57 HD21 LEU 9 3HD2 LEU 9 15.039 7.886 -6.962 58 HD22 LEU 9 1HD2 LEU 9 16.076 6.634 -7.645 59 HD23 LEU 9 2HD2 LEU 9 14.324 6.421 -7.635 60 H VAL 10 H VAL 10 13.950 11.538 -10.366 61 HA VAL 10 HA VAL 10 12.708 10.112 -12.378 62 HB VAL 10 HB VAL 10 11.704 12.064 -11.247 63 HG11 VAL 10 1HG1 VAL 10 14.020 13.365 -11.927 64 HG12 VAL 10 2HG1 VAL 10 12.849 14.045 -13.059 65 HG13 VAL 10 3HG1 VAL 10 12.552 14.133 -11.322 66 HG21 VAL 10 3HG2 VAL 10 10.386 12.754 -13.062 67 HG22 VAL 10 1HG2 VAL 10 11.714 12.566 -14.207 68 HG23 VAL 10 2HG2 VAL 10 10.946 11.142 -13.505 69 H SER 11 H SER 11 15.507 12.177 -12.550 70 HA SER 11 HA SER 11 15.539 12.680 -15.313 71 HB2 SER 11 2HB SER 11 17.126 13.997 -14.360 72 HB3 SER 11 3HB SER 11 17.477 12.826 -13.089 73 HG SER 11 HG SER 11 19.181 13.194 -14.693 74 H LEU 12 H LEU 12 16.723 9.968 -13.405 75 HA LEU 12 HA LEU 12 17.550 8.616 -15.882 76 HB2 LEU 12 2HB LEU 12 18.743 7.052 -14.333 77 HB3 LEU 12 3HB LEU 12 19.349 8.707 -14.351 78 HG LEU 12 HG LEU 12 17.366 8.121 -12.256 79 HD11 LEU 12 1HD1 LEU 12 18.837 6.881 -10.849 80 HD12 LEU 12 2HD1 LEU 12 20.141 6.977 -12.031 81 HD13 LEU 12 3HD1 LEU 12 18.704 6.016 -12.380 82 HD21 LEU 12 3HD2 LEU 12 20.094 9.406 -12.194 83 HD22 LEU 12 1HD2 LEU 12 18.862 9.476 -10.934 84 HD23 LEU 12 2HD2 LEU 12 18.579 10.261 -12.487 85 H GLN 13 H GLN 13 14.800 8.912 -14.586 86 HA GLN 13 HA GLN 13 13.958 6.443 -13.572 87 HB2 GLN 13 2HB GLN 13 12.771 8.848 -13.919 88 HB3 GLN 13 3HB GLN 13 12.024 7.945 -15.230 89 HG2 GLN 13 2HG GLN 13 11.145 6.328 -13.716 90 HG3 GLN 13 3HG GLN 13 12.065 7.008 -12.374 91 HE21 GLN 13 1HE2 GLN 13 10.097 7.226 -11.227 92 HE22 GLN 13 2HE2 GLN 13 9.015 8.530 -11.562 93 H ASN 14 H ASN 14 14.791 7.389 -16.758 94 HA ASN 14 HA ASN 14 13.673 4.871 -17.806 95 HB2 ASN 14 2HB ASN 14 13.704 7.616 -18.915 96 HB3 ASN 14 3HB ASN 14 14.056 6.322 -20.057 97 HD21 ASN 14 1HD2 ASN 14 11.665 7.915 -18.215 98 HD22 ASN 14 2HD2 ASN 14 10.313 6.969 -18.726 99 H LEU 15 H LEU 15 16.122 7.244 -18.851 100 HA LEU 15 HA LEU 15 18.168 5.169 -18.776 101 HB2 LEU 15 2HB LEU 15 16.990 6.298 -21.215 102 HB3 LEU 15 3HB LEU 15 18.752 6.316 -21.172 103 HG LEU 15 HG LEU 15 18.160 3.746 -20.408 104 HD11 LEU 15 1HD1 LEU 15 16.288 4.429 -22.663 105 HD12 LEU 15 2HD1 LEU 15 15.769 4.220 -20.991 106 HD13 LEU 15 3HD1 LEU 15 16.496 2.872 -21.863 107 HD21 LEU 15 3HD2 LEU 15 19.914 4.289 -21.926 108 HD22 LEU 15 1HD2 LEU 15 18.772 4.911 -23.117 109 HD23 LEU 15 2HD2 LEU 15 18.819 3.184 -22.759 110 H LEU 16 H LEU 16 19.959 5.974 -17.914 111 HA LEU 16 HA LEU 16 20.236 8.685 -17.215 112 HB2 LEU 16 2HB LEU 16 21.365 6.462 -16.324 113 HB3 LEU 16 3HB LEU 16 22.642 6.954 -17.435 114 HG LEU 16 HG LEU 16 21.776 9.111 -15.676 115 HD11 LEU 16 1HD1 LEU 16 22.675 8.249 -13.632 116 HD12 LEU 16 2HD1 LEU 16 23.109 6.726 -14.406 117 HD13 LEU 16 3HD1 LEU 16 21.412 7.151 -14.188 118 HD21 LEU 16 3HD2 LEU 16 24.300 9.072 -15.257 119 HD22 LEU 16 1HD2 LEU 16 23.748 9.432 -16.893 120 HD23 LEU 16 2HD2 LEU 16 24.360 7.824 -16.503 121 H VAL 17 H VAL 17 21.878 6.750 -19.710 122 HA VAL 17 HA VAL 17 22.923 7.336 -21.647 123 HB VAL 17 HB VAL 17 21.751 10.089 -21.511 124 HG11 VAL 17 1HG1 VAL 17 22.950 8.370 -23.499 125 HG12 VAL 17 2HG1 VAL 17 21.356 8.930 -24.010 126 HG13 VAL 17 3HG1 VAL 17 22.603 10.097 -23.567 127 HG21 VAL 17 3HG2 VAL 17 19.763 9.112 -21.030 128 HG22 VAL 17 1HG2 VAL 17 19.779 8.775 -22.761 129 HG23 VAL 17 2HG2 VAL 17 20.274 7.529 -21.615 130 H TYR 18 H TYR 18 24.610 8.741 -22.552 131 HA TYR 18 HA TYR 18 26.433 9.569 -20.501 132 HB2 TYR 18 2HB TYR 18 27.984 10.003 -22.334 133 HB3 TYR 18 3HB TYR 18 27.205 8.440 -22.553 134 HD1 TYR 18 HD1 TYR 18 25.607 8.086 -24.356 135 HD2 TYR 18 HD2 TYR 18 27.526 11.848 -23.841 136 HE1 TYR 18 HE1 TYR 18 24.900 8.750 -26.616 137 HE2 TYR 18 HE2 TYR 18 26.824 12.523 -26.099 138 HH TYR 18 HH TYR 18 25.247 11.994 -27.772 139 H VAL 19 H VAL 19 24.421 11.182 -22.899 140 HA VAL 19 HA VAL 19 25.469 13.797 -22.364 141 HB VAL 19 HB VAL 19 24.463 13.221 -24.543 142 HG11 VAL 19 1HG1 VAL 19 22.484 12.035 -23.088 143 HG12 VAL 19 2HG1 VAL 19 21.701 13.524 -23.622 144 HG13 VAL 19 3HG1 VAL 19 22.389 12.414 -24.809 145 HG21 VAL 19 3HG2 VAL 19 24.051 15.564 -23.011 146 HG22 VAL 19 1HG2 VAL 19 24.148 15.407 -24.765 147 HG23 VAL 19 2HG2 VAL 19 22.587 15.283 -23.953 148 H ASN 20 H ASN 20 22.984 11.795 -21.026 149 HA ASN 20 HA ASN 20 21.535 12.069 -19.295 150 HB2 ASN 20 2HB ASN 20 23.847 13.158 -18.444 151 HB3 ASN 20 3HB ASN 20 22.810 14.578 -18.355 152 HD21 ASN 20 1HD2 ASN 20 24.039 13.218 -16.175 153 HD22 ASN 20 2HD2 ASN 20 22.772 12.625 -15.160 154 H TRP 21 H TRP 21 20.019 13.749 -18.221 155 HA TRP 21 HA TRP 21 18.308 15.228 -18.449 156 HB2 TRP 21 2HB TRP 21 19.867 16.999 -18.624 157 HB3 TRP 21 3HB TRP 21 20.359 16.514 -20.244 158 HD1 TRP 21 HD1 TRP 21 17.049 17.721 -18.584 159 HE1 TRP 21 HE1 TRP 21 15.901 19.342 -20.222 160 HE3 TRP 21 HE3 TRP 21 20.410 17.508 -22.432 161 HZ2 TRP 21 HZ2 TRP 21 16.358 20.390 -22.802 162 HZ3 TRP 21 HZ3 TRP 21 19.980 18.849 -24.449 163 HH2 TRP 21 HH2 TRP 21 17.995 20.260 -24.628 164 H SER 22 H SER 22 19.414 15.608 -21.778 165 HA SER 22 HA SER 22 18.200 15.433 -23.724 166 HB2 SER 22 2HB SER 22 17.394 12.960 -24.003 167 HB3 SER 22 3HB SER 22 19.120 13.298 -23.872 168 HG SER 22 HG SER 22 18.058 11.576 -22.476 169 H SER 23 H SER 23 16.646 16.620 -21.722 170 HA SER 23 HA SER 23 14.491 17.250 -21.344 171 HB2 SER 23 2HB SER 23 13.080 17.161 -23.120 172 HB3 SER 23 3HB SER 23 14.488 16.520 -23.966 173 HG SER 23 HG SER 23 12.878 15.078 -24.332 174 H TYR 24 H TYR 24 13.347 16.640 -19.639 175 HA TYR 24 HA TYR 24 13.516 14.195 -18.391 176 HB2 TYR 24 2HB TYR 24 11.182 16.116 -18.262 177 HB3 TYR 24 3HB TYR 24 11.555 14.869 -17.078 178 HD1 TYR 24 HD2 TYR 24 14.554 15.256 -16.994 179 HD2 TYR 24 HD1 TYR 24 11.344 18.046 -16.912 180 HE1 TYR 24 HE2 TYR 24 15.974 16.844 -15.764 181 HE2 TYR 24 HE1 TYR 24 12.754 19.643 -15.684 182 HH TYR 24 HH TYR 24 16.153 18.926 -14.978 183 HA PRO 25 HA PRO 25 10.948 11.364 -20.551 184 HB2 PRO 25 2HB PRO 25 10.070 9.808 -18.508 185 HB3 PRO 25 3HB PRO 25 11.730 9.752 -19.112 186 HG2 PRO 25 2HG PRO 25 10.632 11.174 -16.717 187 HG3 PRO 25 3HG PRO 25 12.130 10.236 -16.873 188 HD2 PRO 25 2HD PRO 25 12.092 12.943 -16.946 189 HD3 PRO 25 3HD PRO 25 13.267 11.979 -17.864 190 H LYS 26 H LYS 26 8.765 10.697 -20.891 191 HA LYS 26 HA LYS 26 6.841 12.698 -20.080 192 HB2 LYS 26 2HB LYS 26 6.752 10.369 -21.986 193 HB3 LYS 26 3HB LYS 26 5.308 11.291 -21.581 194 HG2 LYS 26 2HG LYS 26 5.959 13.102 -22.773 195 HG3 LYS 26 3HG LYS 26 7.675 12.833 -22.457 196 HD2 LYS 26 2HD LYS 26 7.374 12.415 -24.761 197 HD3 LYS 26 3HD LYS 26 7.497 10.826 -24.000 198 HE2 LYS 26 2HE LYS 26 5.699 10.678 -25.523 199 HE3 LYS 26 3HE LYS 26 4.968 10.815 -23.926 200 HZ1 LYS 26 3HZ LYS 26 3.769 12.285 -25.253 201 HZ2 LYS 26 1HZ LYS 26 5.147 12.868 -26.044 202 HZ3 LYS 26 2HZ LYS 26 4.854 13.291 -24.432 203 H TYR 27 H TYR 27 4.694 12.097 -19.277 204 HA TYR 27 HA TYR 27 4.756 10.726 -16.889 205 HB2 TYR 27 2HB TYR 27 2.929 12.161 -17.191 206 HB3 TYR 27 3HB TYR 27 2.503 11.447 -18.743 207 HD1 TYR 27 HD1 TYR 27 3.090 9.929 -15.378 208 HD2 TYR 27 HD2 TYR 27 0.366 10.578 -18.582 209 HE1 TYR 27 HE1 TYR 27 1.437 8.494 -14.256 210 HE2 TYR 27 HE2 TYR 27 -1.295 9.146 -17.469 211 HH TYR 27 HH TYR 27 -0.811 7.955 -14.221 212 H GLU 28 H GLU 28 4.961 8.655 -16.391 213 HA GLU 28 HA GLU 28 4.170 6.642 -18.392 214 HB2 GLU 28 2HB GLU 28 6.653 7.005 -17.341 215 HB3 GLU 28 3HB GLU 28 5.994 5.816 -16.227 216 HG2 GLU 28 2HG GLU 28 5.285 4.744 -18.613 217 HG3 GLU 28 3HG GLU 28 6.804 5.535 -19.026 218 HA PRO 29 HA PRO 29 1.114 5.856 -15.148 219 HB2 PRO 29 2HB PRO 29 -0.540 4.429 -16.761 220 HB3 PRO 29 3HB PRO 29 -0.516 6.197 -16.731 221 HG2 PRO 29 2HG PRO 29 0.785 4.316 -18.664 222 HG3 PRO 29 3HG PRO 29 -0.092 5.822 -18.988 223 HD2 PRO 29 2HD PRO 29 2.612 5.690 -18.959 224 HD3 PRO 29 3HD PRO 29 1.721 7.142 -18.457 225 H GLY 30 H GLY 30 1.312 4.254 -13.719 226 HA2 GLY 30 2HA GLY 30 1.078 1.896 -13.215 227 HA3 GLY 30 3HA GLY 30 1.917 1.546 -14.720 228 H LYS 31 H LYS 31 3.102 4.111 -12.737 229 HA LYS 31 HA LYS 31 5.028 2.421 -11.372 230 HB2 LYS 31 2HB LYS 31 6.377 2.653 -13.229 231 HB3 LYS 31 3HB LYS 31 5.717 4.230 -13.644 232 HG2 LYS 31 2HG LYS 31 7.029 5.324 -12.036 233 HG3 LYS 31 3HG LYS 31 7.431 3.812 -11.218 234 HD2 LYS 31 2HD LYS 31 8.278 3.525 -13.886 235 HD3 LYS 31 3HD LYS 31 8.797 5.131 -13.368 236 HE2 LYS 31 2HE LYS 31 10.524 3.509 -12.879 237 HE3 LYS 31 3HE LYS 31 9.839 4.125 -11.377 238 HZ1 LYS 31 3HZ LYS 31 8.802 2.144 -10.929 239 HZ2 LYS 31 1HZ LYS 31 10.212 1.594 -11.685 240 HZ3 LYS 31 2HZ LYS 31 8.759 1.655 -12.549 241 H GLU 32 H GLU 32 5.302 3.175 -9.381 242 HA GLU 32 HA GLU 32 4.059 5.370 -8.309 243 HB2 GLU 32 2HB GLU 32 5.360 5.059 -6.362 244 HB3 GLU 32 3HB GLU 32 5.218 3.464 -7.089 245 HG2 GLU 32 2HG GLU 32 7.527 4.549 -8.197 246 HG3 GLU 32 3HG GLU 32 7.571 5.014 -6.497 247 H TYR 33 H TYR 33 5.016 7.356 -7.375 248 HA TYR 33 HA TYR 33 7.299 8.423 -8.856 249 HB2 TYR 33 2HB TYR 33 4.517 9.576 -8.887 250 HB3 TYR 33 3HB TYR 33 5.934 10.572 -9.198 251 HD1 TYR 33 HD1 TYR 33 7.482 9.860 -11.113 252 HD2 TYR 33 HD2 TYR 33 3.543 8.332 -10.611 253 HE1 TYR 33 HE1 TYR 33 7.455 9.170 -13.474 254 HE2 TYR 33 HE2 TYR 33 3.506 7.636 -12.970 255 HH TYR 33 HH TYR 33 5.420 7.017 -14.737 256 H ASN 34 H ASN 34 8.655 9.193 -7.393 257 HA ASN 34 HA ASN 34 7.771 9.883 -4.740 258 HB2 ASN 34 2HB ASN 34 10.539 10.224 -5.901 259 HB3 ASN 34 3HB ASN 34 10.097 10.110 -4.200 260 HD21 ASN 34 1HD2 ASN 34 12.020 8.494 -5.377 261 HD22 ASN 34 2HD2 ASN 34 11.450 6.863 -5.384 262 H GLN 35 H GLN 35 8.588 11.938 -3.715 263 HA GLN 35 HA GLN 35 7.481 14.162 -5.033 264 HB2 GLN 35 2HB GLN 35 8.095 15.426 -3.139 265 HB3 GLN 35 3HB GLN 35 7.771 13.810 -2.527 266 HG2 GLN 35 2HG GLN 35 10.495 14.952 -3.105 267 HG3 GLN 35 3HG GLN 35 9.758 14.796 -1.511 268 HE21 GLN 35 1HE2 GLN 35 8.900 12.458 -1.145 269 HE22 GLN 35 2HE2 GLN 35 10.036 11.208 -1.506 270 H GLY 36 H GLY 36 8.368 15.860 -6.135 271 HA2 GLY 36 2HA GLY 36 10.117 17.208 -6.965 272 HA3 GLY 36 3HA GLY 36 11.271 15.986 -6.452 273 H ASP 37 H ASP 37 9.468 13.913 -7.758 274 HA ASP 37 HA ASP 37 10.867 13.670 -10.168 275 HB2 ASP 37 2HB ASP 37 9.813 11.760 -9.063 276 HB3 ASP 37 3HB ASP 37 8.219 12.441 -9.376 277 H ILE 38 H ILE 38 10.576 14.471 -12.153 278 HA ILE 38 HA ILE 38 8.069 15.923 -12.699 279 HB ILE 38 HB ILE 38 10.841 16.621 -13.674 280 HG12 ILE 38 2HG1 ILE 38 8.998 18.083 -11.771 281 HG13 ILE 38 3HG1 ILE 38 10.432 17.177 -11.300 282 HG21 ILE 38 1HG2 ILE 38 8.243 17.258 -14.708 283 HG22 ILE 38 2HG2 ILE 38 9.045 18.723 -14.146 284 HG23 ILE 38 3HG2 ILE 38 9.831 17.689 -15.339 285 HD11 ILE 38 3HD1 ILE 38 11.681 18.768 -12.892 286 HD12 ILE 38 1HD1 ILE 38 10.238 19.773 -12.762 287 HD13 ILE 38 2HD1 ILE 38 11.163 19.368 -11.317 288 H VAL 39 H VAL 39 6.997 15.413 -14.512 289 HA VAL 39 HA VAL 39 8.380 13.856 -16.585 290 HB VAL 39 HB VAL 39 6.612 12.282 -16.787 291 HG11 VAL 39 1HG1 VAL 39 7.297 12.697 -13.880 292 HG12 VAL 39 2HG1 VAL 39 6.571 11.230 -14.541 293 HG13 VAL 39 3HG1 VAL 39 8.185 11.723 -15.052 294 HG21 VAL 39 3HG2 VAL 39 4.722 12.500 -14.949 295 HG22 VAL 39 1HG2 VAL 39 5.129 14.211 -15.084 296 HG23 VAL 39 2HG2 VAL 39 4.596 13.316 -16.506 297 H GLU 40 H GLU 40 7.386 13.940 -18.680 298 HA GLU 40 HA GLU 40 5.998 16.472 -19.119 299 HB2 GLU 40 2HB GLU 40 7.944 16.171 -20.482 300 HB3 GLU 40 3HB GLU 40 7.415 14.571 -20.985 301 HG2 GLU 40 2HG GLU 40 5.725 15.441 -22.360 302 HG3 GLU 40 3HG GLU 40 5.836 17.038 -21.625 303 H TYR 41 H TYR 41 3.904 16.585 -19.586 304 HA TYR 41 HA TYR 41 2.561 14.252 -20.747 305 HB2 TYR 41 2HB TYR 41 2.082 14.016 -18.417 306 HB3 TYR 41 3HB TYR 41 1.710 15.728 -18.254 307 HD1 TYR 41 HD2 TYR 41 -0.399 16.629 -19.174 308 HD2 TYR 41 HD1 TYR 41 0.449 12.460 -19.220 309 HE1 TYR 41 HE2 TYR 41 -2.777 16.156 -19.588 310 HE2 TYR 41 HE1 TYR 41 -1.927 11.975 -19.636 311 HH TYR 41 HH TYR 41 -4.154 14.357 -20.554 312 H ASN 42 H ASN 42 1.447 14.828 -22.483 313 HA ASN 42 HA ASN 42 0.399 16.093 -24.059 314 HB2 ASN 42 2HB ASN 42 -0.708 17.189 -21.490 315 HB3 ASN 42 3HB ASN 42 -1.188 17.883 -23.036 316 HD21 ASN 42 1HD2 ASN 42 -3.309 17.223 -22.809 317 HD22 ASN 42 2HD2 ASN 42 -3.787 15.570 -22.959 318 H GLY 43 H GLY 43 3.059 16.864 -23.402 319 HA2 GLY 43 2HA GLY 43 4.496 18.538 -24.073 320 HA3 GLY 43 3HA GLY 43 3.098 19.454 -24.612 321 H LYS 44 H LYS 44 3.107 18.343 -21.355 322 HA LYS 44 HA LYS 44 3.749 21.072 -20.446 323 HB2 LYS 44 2HB LYS 44 1.356 19.781 -20.153 324 HB3 LYS 44 3HB LYS 44 2.156 19.386 -18.637 325 HG2 LYS 44 2HG LYS 44 1.548 21.359 -17.849 326 HG3 LYS 44 3HG LYS 44 2.584 22.128 -19.054 327 HD2 LYS 44 2HD LYS 44 0.827 22.474 -20.530 328 HD3 LYS 44 3HD LYS 44 -0.169 21.215 -19.795 329 HE2 LYS 44 2HE LYS 44 -0.043 22.801 -17.701 330 HE3 LYS 44 3HE LYS 44 0.305 24.026 -18.921 331 HZ1 LYS 44 3HZ LYS 44 -2.101 22.294 -18.784 332 HZ2 LYS 44 1HZ LYS 44 -1.752 23.339 -20.067 333 HZ3 LYS 44 2HZ LYS 44 -2.038 23.964 -18.522 334 H LEU 45 H LEU 45 4.114 20.860 -17.859 335 HA LEU 45 HA LEU 45 5.899 18.611 -17.310 336 HB2 LEU 45 2HB LEU 45 6.675 21.478 -17.496 337 HB3 LEU 45 3HB LEU 45 7.436 20.481 -16.257 338 HG LEU 45 HG LEU 45 7.515 19.970 -19.230 339 HD11 LEU 45 1HD1 LEU 45 9.163 21.559 -17.440 340 HD12 LEU 45 2HD1 LEU 45 9.130 21.505 -19.203 341 HD13 LEU 45 3HD1 LEU 45 10.085 20.326 -18.303 342 HD21 LEU 45 3HD2 LEU 45 7.590 17.879 -18.090 343 HD22 LEU 45 1HD2 LEU 45 8.723 18.504 -16.892 344 HD23 LEU 45 2HD2 LEU 45 9.242 18.281 -18.563 345 H TYR 46 H TYR 46 5.086 17.759 -15.516 346 HA TYR 46 HA TYR 46 4.170 19.580 -13.389 347 HB2 TYR 46 2HB TYR 46 3.273 16.737 -13.904 348 HB3 TYR 46 3HB TYR 46 2.657 17.812 -12.654 349 HD1 TYR 46 HD1 TYR 46 1.334 19.828 -13.311 350 HD2 TYR 46 HD2 TYR 46 2.449 16.840 -16.128 351 HE1 TYR 46 HE1 TYR 46 -0.381 20.661 -14.865 352 HE2 TYR 46 HE2 TYR 46 0.738 17.666 -17.690 353 HH TYR 46 HH TYR 46 -0.609 20.526 -17.599 354 H LYS 47 H LYS 47 4.625 19.005 -11.216 355 HA LYS 47 HA LYS 47 6.784 17.031 -10.884 356 HB2 LYS 47 2HB LYS 47 7.710 19.317 -10.876 357 HB3 LYS 47 3HB LYS 47 6.623 19.747 -9.564 358 HG2 LYS 47 2HG LYS 47 7.800 18.538 -8.008 359 HG3 LYS 47 3HG LYS 47 8.481 17.444 -9.214 360 HD2 LYS 47 2HD LYS 47 10.326 18.715 -8.754 361 HD3 LYS 47 3HD LYS 47 9.628 19.667 -10.067 362 HE2 LYS 47 2HE LYS 47 9.975 21.326 -8.540 363 HE3 LYS 47 3HE LYS 47 8.353 20.828 -8.064 364 HZ1 LYS 47 3HZ LYS 47 9.100 20.249 -6.076 365 HZ2 LYS 47 1HZ LYS 47 10.610 20.897 -6.477 366 HZ3 LYS 47 2HZ LYS 47 10.298 19.255 -6.739 367 H ALA 48 H ALA 48 6.199 15.485 -9.523 368 HA ALA 48 HA ALA 48 3.865 15.550 -7.963 369 HB1 ALA 48 1HB ALA 48 5.344 13.556 -8.827 370 HB2 ALA 48 2HB ALA 48 6.089 13.710 -7.236 371 HB3 ALA 48 3HB ALA 48 4.360 13.394 -7.373 372 H LYS 49 H LYS 49 3.504 16.718 -6.203 373 HA LYS 49 HA LYS 49 5.482 18.048 -4.720 374 HB2 LYS 49 2HB LYS 49 2.748 17.331 -3.672 375 HB3 LYS 49 3HB LYS 49 3.737 18.722 -3.250 376 HG2 LYS 49 2HG LYS 49 3.490 19.397 -5.711 377 HG3 LYS 49 3HG LYS 49 2.177 18.218 -5.756 378 HD2 LYS 49 2HD LYS 49 0.793 19.545 -4.587 379 HD3 LYS 49 3HD LYS 49 2.065 20.041 -3.467 380 HE2 LYS 49 2HE LYS 49 2.947 21.466 -5.403 381 HE3 LYS 49 3HE LYS 49 1.382 21.181 -6.160 382 HZ1 LYS 49 3HZ LYS 49 2.066 22.970 -4.048 383 HZ2 LYS 49 1HZ LYS 49 0.786 21.956 -3.604 384 HZ3 LYS 49 2HZ LYS 49 0.666 22.913 -4.994 385 H TYR 50 H TYR 50 3.688 15.061 -4.046 386 HA TYR 50 HA TYR 50 5.851 14.208 -2.286 387 HB2 TYR 50 2HB TYR 50 4.451 13.703 -0.429 388 HB3 TYR 50 3HB TYR 50 4.074 15.358 -0.894 389 HD1 TYR 50 HD2 TYR 50 2.099 15.483 -2.732 390 HD2 TYR 50 HD1 TYR 50 2.666 12.345 0.085 391 HE1 TYR 50 HE2 TYR 50 -0.281 14.892 -2.920 392 HE2 TYR 50 HE1 TYR 50 0.288 11.745 -0.095 393 HH TYR 50 HH TYR 50 -2.010 13.685 -1.320 394 H TRP 51 H TRP 51 5.393 11.876 -1.525 395 HA TRP 51 HA TRP 51 5.334 10.181 -3.688 396 HB2 TRP 51 2HB TRP 51 5.812 9.840 -1.055 397 HB3 TRP 51 3HB TRP 51 4.233 9.070 -1.169 398 HD1 TRP 51 HD1 TRP 51 7.728 8.817 -2.830 399 HE1 TRP 51 HE1 TRP 51 8.096 6.367 -3.530 400 HE3 TRP 51 HE3 TRP 51 3.160 6.911 -1.551 401 HZ2 TRP 51 HZ2 TRP 51 6.643 3.948 -3.539 402 HZ3 TRP 51 HZ3 TRP 51 2.729 4.519 -1.939 403 HH2 TRP 51 HH2 TRP 51 4.436 3.070 -2.913 404 H THR 52 H THR 52 3.773 9.888 -5.128 405 HA THR 52 HA THR 52 1.154 9.039 -4.298 406 HB THR 52 HB THR 52 1.281 11.547 -5.973 407 HG1 THR 52 HG1 THR 52 0.587 11.351 -3.215 408 HG21 THR 52 3HG2 THR 52 -0.830 9.724 -5.048 409 HG22 THR 52 1HG2 THR 52 -0.807 10.826 -6.425 410 HG23 THR 52 2HG2 THR 52 -1.179 11.437 -4.813 411 H THR 53 H THR 53 -0.112 8.201 -6.036 412 HA THR 53 HA THR 53 1.352 7.863 -8.568 413 HB THR 53 HB THR 53 0.706 5.548 -8.710 414 HG1 THR 53 HG1 THR 53 -0.499 5.831 -6.143 415 HG21 THR 53 3HG2 THR 53 2.185 4.654 -7.168 416 HG22 THR 53 1HG2 THR 53 1.689 5.763 -5.892 417 HG23 THR 53 2HG2 THR 53 2.693 6.342 -7.221 418 H SER 54 H SER 54 0.182 8.943 -10.024 419 HA SER 54 HA SER 54 -2.317 8.092 -10.897 420 HB2 SER 54 2HB SER 54 -2.475 9.822 -8.611 421 HB3 SER 54 3HB SER 54 -3.161 10.647 -10.011 422 HG SER 54 HG SER 54 -4.531 9.132 -8.653 423 HA PRO 55 HA PRO 55 -1.100 10.574 -14.308 424 HB2 PRO 55 2HB PRO 55 -3.490 10.961 -15.535 425 HB3 PRO 55 3HB PRO 55 -2.645 9.409 -15.545 426 HG2 PRO 55 2HG PRO 55 -4.912 10.321 -13.815 427 HG3 PRO 55 3HG PRO 55 -4.678 8.759 -14.621 428 HD2 PRO 55 2HD PRO 55 -4.158 9.135 -11.990 429 HD3 PRO 55 3HD PRO 55 -3.239 7.993 -12.992 430 HA PRO 56 HA PRO 56 -1.643 14.819 -13.245 431 HB2 PRO 56 2HB PRO 56 -0.964 15.962 -15.611 432 HB3 PRO 56 3HB PRO 56 0.221 15.228 -14.524 433 HG2 PRO 56 2HG PRO 56 -1.055 14.089 -16.981 434 HG3 PRO 56 3HG PRO 56 0.637 14.009 -16.460 435 HD2 PRO 56 2HD PRO 56 -1.091 11.952 -16.121 436 HD3 PRO 56 3HD PRO 56 0.232 12.285 -14.985 437 H SER 57 H SER 57 -3.346 16.151 -13.147 438 HA SER 57 HA SER 57 -4.929 17.002 -15.270 439 HB2 SER 57 2HB SER 57 -5.996 14.992 -15.638 440 HB3 SER 57 3HB SER 57 -5.847 14.482 -13.957 441 HG SER 57 HG SER 57 -7.638 15.531 -13.460 442 H ASP 58 H ASP 58 -5.859 15.817 -12.040 443 HA ASP 58 HA ASP 58 -6.129 18.588 -11.136 444 HB2 ASP 58 2HB ASP 58 -8.355 17.864 -11.945 445 HB3 ASP 58 3HB ASP 58 -8.307 16.514 -10.814 446 H ASP 59 H ASP 59 -5.004 18.791 -9.328 447 HA ASP 59 HA ASP 59 -4.724 16.448 -7.567 448 HB2 ASP 59 2HB ASP 59 -2.760 18.010 -6.680 449 HB3 ASP 59 3HB ASP 59 -2.542 16.940 -8.063 450 HA PRO 60 HA PRO 60 -7.391 19.357 -5.197 451 HB2 PRO 60 2HB PRO 60 -8.852 17.394 -4.020 452 HB3 PRO 60 3HB PRO 60 -9.226 18.041 -5.622 453 HG2 PRO 60 2HG PRO 60 -7.762 15.536 -4.887 454 HG3 PRO 60 3HG PRO 60 -8.990 15.787 -6.141 455 HD2 PRO 60 2HD PRO 60 -6.342 15.690 -6.694 456 HD3 PRO 60 3HD PRO 60 -7.473 16.695 -7.621 457 H TYR 61 H TYR 61 -5.203 16.841 -4.440 458 HA TYR 61 HA TYR 61 -5.210 17.616 -1.598 459 HB2 TYR 61 2HB TYR 61 -3.728 15.338 -1.649 460 HB3 TYR 61 3HB TYR 61 -5.460 15.385 -1.333 461 HD1 TYR 61 HD2 TYR 61 -3.082 15.180 -4.210 462 HD2 TYR 61 HD1 TYR 61 -6.840 14.018 -2.585 463 HE1 TYR 61 HE2 TYR 61 -3.471 13.733 -6.160 464 HE2 TYR 61 HE1 TYR 61 -7.238 12.567 -4.530 465 HH TYR 61 HH TYR 61 -4.896 11.599 -6.611 466 H GLY 62 H GLY 62 -3.596 18.093 -4.439 467 HA2 GLY 62 2HA GLY 62 -1.639 19.298 -4.778 468 HA3 GLY 62 3HA GLY 62 -1.290 19.162 -3.061 469 H SER 63 H SER 63 -1.805 16.724 -5.604 470 HA SER 63 HA SER 63 0.558 15.303 -4.664 471 HB2 SER 63 2HB SER 63 -0.213 13.453 -5.997 472 HB3 SER 63 3HB SER 63 -1.604 14.109 -5.134 473 HG SER 63 HG SER 63 -1.342 13.769 -7.729 474 H TRP 64 H TRP 64 -0.300 17.511 -7.089 475 HA TRP 64 HA TRP 64 2.277 17.068 -8.416 476 HB2 TRP 64 2HB TRP 64 -0.424 17.202 -9.727 477 HB3 TRP 64 3HB TRP 64 1.020 17.713 -10.598 478 HD1 TRP 64 HD1 TRP 64 -0.940 14.671 -9.699 479 HE1 TRP 64 HE1 TRP 64 0.280 12.559 -10.522 480 HE3 TRP 64 HE3 TRP 64 3.574 16.755 -10.888 481 HZ2 TRP 64 HZ2 TRP 64 2.821 11.869 -11.540 482 HZ3 TRP 64 HZ3 TRP 64 5.346 15.300 -11.779 483 HH2 TRP 64 HH2 TRP 64 4.977 12.908 -12.097 484 H GLU 65 H GLU 65 3.081 18.945 -9.563 485 HA GLU 65 HA GLU 65 1.770 21.480 -8.928 486 HB2 GLU 65 2HB GLU 65 3.551 20.757 -7.171 487 HB3 GLU 65 3HB GLU 65 4.714 21.199 -8.415 488 HG2 GLU 65 2HG GLU 65 3.598 23.450 -8.503 489 HG3 GLU 65 3HG GLU 65 2.698 22.970 -7.065 490 H TYR 66 H TYR 66 1.436 22.198 -10.945 491 HA TYR 66 HA TYR 66 3.103 21.666 -13.156 492 HB2 TYR 66 2HB TYR 66 0.885 22.212 -13.689 493 HB3 TYR 66 3HB TYR 66 0.885 23.630 -12.647 494 HD1 TYR 66 HD2 TYR 66 1.903 22.295 -15.909 495 HD2 TYR 66 HD1 TYR 66 1.782 25.740 -13.414 496 HE1 TYR 66 HE2 TYR 66 2.442 23.711 -17.847 497 HE2 TYR 66 HE1 TYR 66 2.319 27.165 -15.345 498 HH TYR 66 HH TYR 66 1.925 26.443 -18.330 499 H LEU 67 H LEU 67 5.111 22.375 -13.395 500 HA LEU 67 HA LEU 67 5.891 24.946 -12.241 501 HB2 LEU 67 2HB LEU 67 7.744 23.030 -13.608 502 HB3 LEU 67 3HB LEU 67 8.110 24.231 -12.372 503 HG LEU 67 HG LEU 67 6.545 21.697 -11.888 504 HD11 LEU 67 1HD1 LEU 67 8.544 20.706 -12.050 505 HD12 LEU 67 2HD1 LEU 67 8.877 21.470 -10.497 506 HD13 LEU 67 3HD1 LEU 67 9.418 22.237 -11.991 507 HD21 LEU 67 3HD2 LEU 67 7.479 22.486 -9.491 508 HD22 LEU 67 1HD2 LEU 67 5.892 22.931 -10.117 509 HD23 LEU 67 2HD2 LEU 67 7.244 24.055 -10.262 510 H GLY 68 H GLY 68 5.209 23.452 -15.269 511 HA2 GLY 68 2HA GLY 68 5.000 25.738 -16.758 512 HA3 GLY 68 3HA GLY 68 6.695 25.294 -16.895 513 H GLU 69 H GLU 69 6.109 25.146 -19.207 514 HA GLU 69 HA GLU 69 4.875 22.543 -19.827 515 HB2 GLU 69 2HB GLU 69 4.488 25.196 -20.970 516 HB3 GLU 69 3HB GLU 69 4.886 23.995 -22.191 517 HG2 GLU 69 2HG GLU 69 3.036 22.605 -21.460 518 HG3 GLU 69 3HG GLU 69 2.651 23.764 -20.188 519 H ALA 70 H ALA 70 5.845 21.240 -21.404 520 HA ALA 70 HA ALA 70 8.596 21.051 -21.395 521 HB1 ALA 70 1HB ALA 70 8.286 19.640 -23.479 522 HB2 ALA 70 2HB ALA 70 7.362 19.155 -22.056 523 HB3 ALA 70 3HB ALA 70 6.569 20.030 -23.366 524 H GLU 71 H GLU 71 6.517 22.629 -23.797 525 HA GLU 71 HA GLU 71 8.924 23.924 -24.899 526 HB2 GLU 71 2HB GLU 71 6.924 22.373 -26.225 527 HB3 GLU 71 3HB GLU 71 6.806 24.033 -26.791 528 HG2 GLU 71 2HG GLU 71 9.479 23.661 -26.897 529 HG3 GLU 71 3HG GLU 71 8.904 22.029 -27.230 530 HA PRO 72 HA PRO 72 6.681 27.458 -23.227 531 HB2 PRO 72 2HB PRO 72 8.783 29.163 -23.426 532 HB3 PRO 72 3HB PRO 72 8.608 28.005 -22.102 533 HG2 PRO 72 2HG PRO 72 10.269 27.808 -24.586 534 HG3 PRO 72 3HG PRO 72 10.693 27.377 -22.919 535 HD2 PRO 72 2HD PRO 72 9.958 25.532 -24.759 536 HD3 PRO 72 3HD PRO 72 9.596 25.352 -23.030 537 H THR 73 H THR 73 5.493 28.915 -24.302 538 HA THR 73 HA THR 73 6.364 29.706 -27.006 539 HB THR 73 HB THR 73 3.669 30.001 -27.157 540 HG1 THR 73 HG1 THR 73 3.982 27.518 -25.829 541 HG21 THR 73 3HG2 THR 73 3.698 28.202 -28.659 542 HG22 THR 73 1HG2 THR 73 4.939 27.343 -27.748 543 HG23 THR 73 2HG2 THR 73 5.361 28.789 -28.665
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