NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505461 | 2yrj | 11239 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.329 13.540 8.536 2 HA2 GLY 1 1HA GLY 1 -9.536 12.654 7.676 3 HA3 GLY 1 2HA GLY 1 -8.131 11.792 7.066 4 H SER 2 H SER 2 -10.769 11.719 9.372 5 HA SER 2 HA SER 2 -10.140 9.007 10.195 6 HB2 SER 2 1HB SER 2 -12.311 10.959 10.957 7 HB3 SER 2 2HB SER 2 -12.319 9.285 11.511 8 HG SER 2 HG SER 2 -10.271 9.675 12.457 9 H SER 3 H SER 3 -10.675 7.365 8.930 10 HA SER 3 HA SER 3 -13.304 7.396 7.617 11 HB2 SER 3 1HB SER 3 -11.550 7.950 5.947 12 HB3 SER 3 2HB SER 3 -10.749 6.422 6.315 13 HG SER 3 HG SER 3 -13.127 6.908 4.934 14 H GLY 4 H GLY 4 -13.897 5.142 6.824 15 HA2 GLY 4 1HA GLY 4 -13.230 3.251 8.972 16 HA3 GLY 4 2HA GLY 4 -14.666 3.188 7.961 17 H SER 5 H SER 5 -14.375 1.056 7.349 18 HA SER 5 HA SER 5 -11.939 0.441 5.825 19 HB2 SER 5 1HB SER 5 -12.468 -1.902 6.164 20 HB3 SER 5 2HB SER 5 -12.529 -1.072 7.719 21 HG SER 5 HG SER 5 -14.832 -0.945 7.412 22 H SER 6 H SER 6 -12.177 0.881 3.732 23 HA SER 6 HA SER 6 -14.643 1.025 2.377 24 HB2 SER 6 1HB SER 6 -13.298 1.212 0.335 25 HB3 SER 6 2HB SER 6 -12.617 2.211 1.619 26 HG SER 6 HG SER 6 -11.687 -0.411 1.337 27 H GLY 7 H GLY 7 -15.771 -0.416 1.167 28 HA2 GLY 7 1HA GLY 7 -15.216 -3.209 1.580 29 HA3 GLY 7 2HA GLY 7 -16.575 -2.534 0.694 30 H THR 8 H THR 8 -13.348 -3.769 0.494 31 HA THR 8 HA THR 8 -13.580 -3.771 -2.440 32 HB THR 8 HB THR 8 -11.119 -3.486 -2.598 33 HG1 THR 8 1HG THR 8 -10.264 -2.461 -0.519 34 HG21 THR 8 3HG2 THR 8 -13.063 -1.493 -1.892 35 HG22 THR 8 1HG2 THR 8 -11.697 -1.371 -2.999 36 HG23 THR 8 2HG2 THR 8 -11.475 -1.027 -1.283 37 H GLY 9 H GLY 9 -13.140 -5.670 -3.422 38 HA2 GLY 9 1HA GLY 9 -12.798 -8.000 -1.770 39 HA3 GLY 9 2HA GLY 9 -12.973 -7.976 -3.518 40 H GLU 10 H GLU 10 -11.325 -9.474 -3.846 41 HA GLU 10 HA GLU 10 -8.788 -9.456 -2.743 42 HB2 GLU 10 1HB GLU 10 -9.745 -10.351 -5.459 43 HB3 GLU 10 2HB GLU 10 -8.095 -10.602 -4.907 44 HG2 GLU 10 1HG GLU 10 -8.938 -11.901 -3.007 45 HG3 GLU 10 2HG GLU 10 -10.583 -11.674 -3.597 46 H LYS 11 H LYS 11 -6.727 -9.038 -4.062 47 HA LYS 11 HA LYS 11 -6.929 -6.370 -5.298 48 HB2 LYS 11 1HB LYS 11 -4.573 -7.488 -3.771 49 HB3 LYS 11 2HB LYS 11 -4.740 -5.854 -4.399 50 HG2 LYS 11 1HG LYS 11 -6.215 -5.225 -2.755 51 HG3 LYS 11 2HG LYS 11 -6.754 -6.879 -2.456 52 HD2 LYS 11 1HD LYS 11 -4.668 -7.405 -1.360 53 HD3 LYS 11 2HD LYS 11 -4.015 -5.816 -1.766 54 HE2 LYS 11 1HE LYS 11 -4.680 -5.498 0.416 55 HE3 LYS 11 2HE LYS 11 -6.099 -4.940 -0.468 56 HZ1 LYS 11 3HZ LYS 11 -6.180 -6.726 1.515 57 HZ2 LYS 11 1HZ LYS 11 -6.079 -7.762 0.182 58 HZ3 LYS 11 2HZ LYS 11 -7.337 -6.636 0.284 59 HA PRO 12 HA PRO 12 -5.391 -8.724 -8.806 60 HB2 PRO 12 1HB PRO 12 -5.746 -6.717 -10.600 61 HB3 PRO 12 2HB PRO 12 -7.067 -7.748 -10.038 62 HG2 PRO 12 1HG PRO 12 -6.301 -4.996 -9.143 63 HG3 PRO 12 2HG PRO 12 -7.914 -5.659 -9.467 64 HD2 PRO 12 1HD PRO 12 -6.922 -5.400 -6.961 65 HD3 PRO 12 2HD PRO 12 -8.032 -6.707 -7.418 66 H TYR 13 H TYR 13 -4.433 -5.457 -7.864 67 HA TYR 13 HA TYR 13 -1.998 -5.542 -9.407 68 HB2 TYR 13 1HB TYR 13 -2.708 -3.561 -7.244 69 HB3 TYR 13 2HB TYR 13 -1.576 -3.345 -8.574 70 HD1 TYR 13 2HD TYR 13 -5.105 -3.379 -7.603 71 HD2 TYR 13 1HD TYR 13 -2.368 -2.849 -10.817 72 HE1 TYR 13 2HE TYR 13 -6.900 -2.383 -8.958 73 HE2 TYR 13 1HE TYR 13 -4.155 -1.851 -12.181 74 HH TYR 13 HH TYR 13 -6.836 -2.076 -12.153 75 H ARG 14 H ARG 14 -0.097 -6.314 -8.769 76 HA ARG 14 HA ARG 14 0.401 -6.660 -5.891 77 HB2 ARG 14 1HB ARG 14 -0.232 -8.783 -7.353 78 HB3 ARG 14 2HB ARG 14 1.468 -8.691 -7.796 79 HG2 ARG 14 1HG ARG 14 2.129 -8.894 -5.490 80 HG3 ARG 14 2HG ARG 14 0.444 -8.839 -4.970 81 HD2 ARG 14 1HD ARG 14 1.110 -11.120 -4.940 82 HD3 ARG 14 2HD ARG 14 0.057 -10.906 -6.338 83 HE ARG 14 HE ARG 14 1.850 -11.322 -7.729 84 HH11 ARG 14 2HH1 ARG 14 2.939 -10.966 -4.441 85 HH12 ARG 14 1HH1 ARG 14 4.536 -11.553 -4.769 86 HH21 ARG 14 2HH2 ARG 14 3.949 -12.096 -8.173 87 HH22 ARG 14 1HH2 ARG 14 5.110 -12.194 -6.893 88 H CYS 15 H CYS 15 2.173 -5.616 -5.300 89 HA CYS 15 HA CYS 15 3.878 -4.212 -6.923 90 HB2 CYS 15 1HB CYS 15 3.918 -3.753 -4.595 91 HB3 CYS 15 2HB CYS 15 4.327 -5.419 -4.197 92 H GLY 16 H GLY 16 6.053 -4.533 -7.622 93 HA2 GLY 16 1HA GLY 16 6.574 -7.335 -8.339 94 HA3 GLY 16 2HA GLY 16 7.225 -5.928 -9.166 95 H GLU 17 H GLU 17 7.970 -4.615 -6.638 96 HA GLU 17 HA GLU 17 10.609 -5.565 -6.439 97 HB2 GLU 17 1HB GLU 17 9.514 -3.249 -5.803 98 HB3 GLU 17 2HB GLU 17 9.385 -3.990 -4.214 99 HG2 GLU 17 1HG GLU 17 11.432 -2.582 -4.639 100 HG3 GLU 17 2HG GLU 17 11.711 -4.201 -4.001 101 H CYS 18 H CYS 18 8.090 -5.592 -3.910 102 HA CYS 18 HA CYS 18 9.486 -7.818 -2.617 103 HB2 CYS 18 1HB CYS 18 8.049 -7.330 -0.678 104 HB3 CYS 18 2HB CYS 18 8.946 -5.906 -1.196 105 H GLY 19 H GLY 19 6.290 -6.910 -3.854 106 HA2 GLY 19 1HA GLY 19 5.139 -8.686 -5.139 107 HA3 GLY 19 2HA GLY 19 5.590 -9.782 -3.842 108 H LYS 20 H LYS 20 4.696 -6.662 -2.810 109 HA LYS 20 HA LYS 20 2.546 -7.572 -1.259 110 HB2 LYS 20 1HB LYS 20 3.674 -4.928 -1.992 111 HB3 LYS 20 2HB LYS 20 2.020 -4.937 -1.396 112 HG2 LYS 20 1HG LYS 20 3.099 -6.446 0.493 113 HG3 LYS 20 2HG LYS 20 4.552 -5.568 0.011 114 HD2 LYS 20 1HD LYS 20 3.592 -3.482 0.551 115 HD3 LYS 20 2HD LYS 20 1.968 -4.168 0.649 116 HE2 LYS 20 1HE LYS 20 4.253 -4.775 2.524 117 HE3 LYS 20 2HE LYS 20 2.904 -3.694 2.868 118 HZ1 LYS 20 3HZ LYS 20 1.530 -5.824 2.269 119 HZ2 LYS 20 1HZ LYS 20 2.160 -5.605 3.824 120 HZ3 LYS 20 2HZ LYS 20 2.952 -6.618 2.725 121 H ALA 21 H ALA 21 0.393 -6.043 -1.502 122 HA ALA 21 HA ALA 21 -0.551 -6.039 -4.249 123 HB1 ALA 21 3HB ALA 21 -1.661 -7.878 -2.148 124 HB2 ALA 21 1HB ALA 21 -2.591 -7.387 -3.564 125 HB3 ALA 21 2HB ALA 21 -1.083 -8.280 -3.765 126 H PHE 22 H PHE 22 -2.670 -5.023 -4.474 127 HA PHE 22 HA PHE 22 -3.820 -3.669 -2.213 128 HB2 PHE 22 1HB PHE 22 -2.516 -1.996 -4.370 129 HB3 PHE 22 2HB PHE 22 -3.416 -1.397 -2.981 130 HD1 PHE 22 1HD PHE 22 -0.343 -3.183 -3.994 131 HD2 PHE 22 2HD PHE 22 -2.369 -1.068 -0.905 132 HE1 PHE 22 1HE PHE 22 1.740 -3.102 -2.687 133 HE2 PHE 22 2HE PHE 22 -0.289 -0.983 0.405 134 HZ PHE 22 HZ PHE 22 1.770 -2.000 -0.485 135 H ALA 23 H ALA 23 -5.881 -2.920 -2.616 136 HA ALA 23 HA ALA 23 -7.262 -4.065 -4.798 137 HB1 ALA 23 3HB ALA 23 -9.154 -3.420 -3.735 138 HB2 ALA 23 1HB ALA 23 -8.034 -3.199 -2.389 139 HB3 ALA 23 2HB ALA 23 -8.530 -1.813 -3.362 140 H GLN 24 H GLN 24 -6.026 -0.825 -4.181 141 HA GLN 24 HA GLN 24 -6.791 -0.085 -6.929 142 HB2 GLN 24 1HB GLN 24 -6.852 1.487 -4.384 143 HB3 GLN 24 2HB GLN 24 -6.576 2.325 -5.905 144 HG2 GLN 24 1HG GLN 24 -8.686 1.919 -6.677 145 HG3 GLN 24 2HG GLN 24 -8.874 0.452 -5.718 146 HE21 GLN 24 1HE2 GLN 24 -10.126 0.585 -4.002 147 HE22 GLN 24 2HE2 GLN 24 -10.579 2.036 -3.182 148 H LYS 25 H LYS 25 -5.307 1.105 -8.152 149 HA LYS 25 HA LYS 25 -2.606 0.443 -7.807 150 HB2 LYS 25 1HB LYS 25 -4.132 2.254 -9.610 151 HB3 LYS 25 2HB LYS 25 -2.392 2.487 -9.511 152 HG2 LYS 25 1HG LYS 25 -3.717 -0.136 -10.164 153 HG3 LYS 25 2HG LYS 25 -3.112 1.008 -11.364 154 HD2 LYS 25 1HD LYS 25 -1.489 -0.398 -9.244 155 HD3 LYS 25 2HD LYS 25 -1.475 -0.739 -10.976 156 HE2 LYS 25 1HE LYS 25 -0.523 1.753 -9.578 157 HE3 LYS 25 2HE LYS 25 0.445 0.588 -10.479 158 HZ1 LYS 25 3HZ LYS 25 -0.963 1.238 -12.458 159 HZ2 LYS 25 1HZ LYS 25 0.142 2.396 -11.910 160 HZ3 LYS 25 2HZ LYS 25 -1.500 2.550 -11.535 161 H ALA 26 H ALA 26 -4.252 3.570 -7.354 162 HA ALA 26 HA ALA 26 -2.232 5.209 -6.630 163 HB1 ALA 26 3HB ALA 26 -4.565 5.912 -6.687 164 HB2 ALA 26 1HB ALA 26 -4.884 5.006 -5.208 165 HB3 ALA 26 2HB ALA 26 -3.799 6.396 -5.174 166 H ASN 27 H ASN 27 -3.590 2.621 -4.675 167 HA ASN 27 HA ASN 27 -2.146 3.308 -2.303 168 HB2 ASN 27 1HB ASN 27 -4.307 1.957 -2.435 169 HB3 ASN 27 2HB ASN 27 -3.309 0.601 -2.951 170 HD21 ASN 27 1HD2 ASN 27 -4.857 0.506 -0.672 171 HD22 ASN 27 2HD2 ASN 27 -3.825 0.444 0.713 172 H LEU 28 H LEU 28 -1.602 1.194 -5.048 173 HA LEU 28 HA LEU 28 0.695 -0.092 -3.900 174 HB2 LEU 28 1HB LEU 28 -0.367 -1.426 -5.457 175 HB3 LEU 28 2HB LEU 28 -0.636 -0.087 -6.571 176 HG LEU 28 HG LEU 28 1.821 -0.116 -7.061 177 HD11 LEU 28 1HD1 LEU 28 2.307 -1.390 -4.887 178 HD12 LEU 28 2HD1 LEU 28 3.207 -1.842 -6.335 179 HD13 LEU 28 3HD1 LEU 28 1.852 -2.832 -5.794 180 HD21 LEU 28 3HD2 LEU 28 1.681 -2.289 -8.375 181 HD22 LEU 28 1HD2 LEU 28 0.420 -1.094 -8.676 182 HD23 LEU 28 2HD2 LEU 28 0.082 -2.494 -7.658 183 H THR 29 H THR 29 0.246 2.227 -6.572 184 HA THR 29 HA THR 29 2.852 2.713 -7.247 185 HB THR 29 HB THR 29 0.566 4.682 -7.100 186 HG1 THR 29 1HG THR 29 0.145 3.996 -9.088 187 HG21 THR 29 3HG2 THR 29 3.254 4.992 -8.443 188 HG22 THR 29 1HG2 THR 29 2.674 5.909 -7.053 189 HG23 THR 29 2HG2 THR 29 1.887 6.093 -8.621 190 H GLN 30 H GLN 30 1.049 4.089 -4.536 191 HA GLN 30 HA GLN 30 3.143 5.846 -3.716 192 HB2 GLN 30 1HB GLN 30 1.784 6.355 -1.842 193 HB3 GLN 30 2HB GLN 30 0.678 6.100 -3.186 194 HG2 GLN 30 1HG GLN 30 -0.009 4.013 -2.371 195 HG3 GLN 30 2HG GLN 30 1.348 3.912 -1.250 196 HE21 GLN 30 1HE2 GLN 30 0.512 3.916 0.716 197 HE22 GLN 30 2HE2 GLN 30 -0.651 5.043 1.317 198 H HIS 31 H HIS 31 2.426 2.511 -3.201 199 HA HIS 31 HA HIS 31 3.970 2.200 -0.810 200 HB2 HIS 31 1HB HIS 31 2.459 0.483 -0.950 201 HB3 HIS 31 2HB HIS 31 2.558 0.395 -2.706 202 HD1 HIS 31 1HD HIS 31 4.106 -0.942 0.409 203 HD2 HIS 31 2HD HIS 31 4.589 -1.278 -3.704 204 HE1 HIS 31 1HE HIS 31 5.629 -2.915 0.069 205 H GLN 32 H GLN 32 4.535 1.591 -4.255 206 HA GLN 32 HA GLN 32 6.989 0.353 -4.157 207 HB2 GLN 32 1HB GLN 32 6.315 2.488 -6.176 208 HB3 GLN 32 2HB GLN 32 7.343 1.079 -6.397 209 HG2 GLN 32 1HG GLN 32 5.308 -0.342 -6.049 210 HG3 GLN 32 2HG GLN 32 4.354 1.139 -6.103 211 HE21 GLN 32 1HE2 GLN 32 4.575 -1.283 -7.879 212 HE22 GLN 32 2HE2 GLN 32 4.805 -0.632 -9.463 213 H ARG 33 H ARG 33 6.215 3.709 -3.598 214 HA ARG 33 HA ARG 33 8.672 4.929 -3.910 215 HB2 ARG 33 1HB ARG 33 6.766 5.544 -1.652 216 HB3 ARG 33 2HB ARG 33 7.890 6.645 -2.438 217 HG2 ARG 33 1HG ARG 33 6.495 6.091 -4.571 218 HG3 ARG 33 2HG ARG 33 5.268 5.608 -3.399 219 HD2 ARG 33 1HD ARG 33 6.620 8.227 -3.017 220 HD3 ARG 33 2HD ARG 33 5.435 8.088 -4.315 221 HE ARG 33 HE ARG 33 4.527 7.111 -1.759 222 HH11 ARG 33 2HH1 ARG 33 4.789 9.865 -3.872 223 HH12 ARG 33 1HH1 ARG 33 3.474 10.720 -3.137 224 HH21 ARG 33 2HH2 ARG 33 2.793 8.226 -0.782 225 HH22 ARG 33 1HH2 ARG 33 2.340 9.787 -1.378 226 H ILE 34 H ILE 34 7.613 2.732 -1.442 227 HA ILE 34 HA ILE 34 9.496 3.332 0.559 228 HB ILE 34 HB ILE 34 8.923 1.299 1.581 229 HG12 ILE 34 1HG1 ILE 34 7.974 0.305 -1.116 230 HG13 ILE 34 2HG1 ILE 34 9.476 -0.165 -0.327 231 HG21 ILE 34 1HG2 ILE 34 6.853 2.839 0.291 232 HG22 ILE 34 2HG2 ILE 34 6.337 1.175 0.556 233 HG23 ILE 34 3HG2 ILE 34 6.896 2.151 1.914 234 HD11 ILE 34 3HD1 ILE 34 6.664 -0.802 0.497 235 HD12 ILE 34 1HD1 ILE 34 7.960 -1.914 0.057 236 HD13 ILE 34 2HD1 ILE 34 8.044 -1.017 1.574 237 H HIS 35 H HIS 35 9.657 1.272 -2.291 238 HA HIS 35 HA HIS 35 12.236 0.190 -1.606 239 HB2 HIS 35 1HB HIS 35 10.795 0.117 -4.265 240 HB3 HIS 35 2HB HIS 35 12.144 -0.903 -3.773 241 HD1 HIS 35 1HD HIS 35 11.434 -2.223 -1.320 242 HD2 HIS 35 2HD HIS 35 8.491 -1.259 -4.090 243 HE1 HIS 35 1HE HIS 35 9.498 -3.742 -0.801 244 H THR 36 H THR 36 10.998 2.620 -3.867 245 HA THR 36 HA THR 36 13.361 3.226 -5.201 246 HB THR 36 HB THR 36 12.375 5.426 -5.687 247 HG1 THR 36 1HG THR 36 10.265 5.845 -4.733 248 HG21 THR 36 3HG2 THR 36 11.176 2.882 -6.210 249 HG22 THR 36 1HG2 THR 36 11.220 4.316 -7.235 250 HG23 THR 36 2HG2 THR 36 9.910 4.102 -6.074 251 H GLY 37 H GLY 37 15.162 3.320 -3.893 252 HA2 GLY 37 1HA GLY 37 16.754 4.390 -2.624 253 HA3 GLY 37 2HA GLY 37 15.733 5.820 -2.675 254 H GLU 38 H GLU 38 16.789 3.140 -0.814 255 HA GLU 38 HA GLU 38 14.753 3.274 1.192 256 HB2 GLU 38 1HB GLU 38 17.428 1.926 0.994 257 HB3 GLU 38 2HB GLU 38 16.558 1.960 2.521 258 HG2 GLU 38 1HG GLU 38 15.155 1.020 0.068 259 HG3 GLU 38 2HG GLU 38 16.297 -0.050 0.880 260 H LYS 39 H LYS 39 14.608 4.579 2.901 261 HA LYS 39 HA LYS 39 16.682 6.584 3.298 262 HB2 LYS 39 1HB LYS 39 13.828 6.293 4.154 263 HB3 LYS 39 2HB LYS 39 14.884 7.388 5.036 264 HG2 LYS 39 1HG LYS 39 13.763 8.688 3.420 265 HG3 LYS 39 2HG LYS 39 15.414 8.478 2.831 266 HD2 LYS 39 1HD LYS 39 14.127 8.077 0.937 267 HD3 LYS 39 2HD LYS 39 14.451 6.452 1.546 268 HE2 LYS 39 1HE LYS 39 12.000 7.863 2.478 269 HE3 LYS 39 2HE LYS 39 12.021 7.203 0.843 270 HZ1 LYS 39 3HZ LYS 39 11.220 5.443 2.045 271 HZ2 LYS 39 1HZ LYS 39 12.149 5.791 3.415 272 HZ3 LYS 39 2HZ LYS 39 12.875 5.089 2.058 273 HA PRO 40 HA PRO 40 18.433 4.851 6.930 274 HB2 PRO 40 1HB PRO 40 18.984 7.076 8.384 275 HB3 PRO 40 2HB PRO 40 19.893 6.625 6.937 276 HG2 PRO 40 1HG PRO 40 17.679 8.616 7.237 277 HG3 PRO 40 2HG PRO 40 19.194 8.757 6.327 278 HD2 PRO 40 1HD PRO 40 16.831 8.173 5.141 279 HD3 PRO 40 2HD PRO 40 18.381 7.547 4.542 280 H SER 41 H SER 41 15.892 7.261 7.446 281 HA SER 41 HA SER 41 15.377 6.620 10.150 282 HB2 SER 41 1HB SER 41 13.349 7.918 9.898 283 HB3 SER 41 2HB SER 41 14.647 8.727 9.020 284 HG SER 41 HG SER 41 13.805 7.970 7.107 285 H GLY 42 H GLY 42 13.854 5.562 7.119 286 HA2 GLY 42 1HA GLY 42 13.012 3.391 6.740 287 HA3 GLY 42 2HA GLY 42 12.975 3.127 8.477 288 HA PRO 43 HA PRO 43 8.780 4.536 6.611 289 HB2 PRO 43 1HB PRO 43 7.629 2.125 6.128 290 HB3 PRO 43 2HB PRO 43 8.553 3.010 4.909 291 HG2 PRO 43 1HG PRO 43 9.412 0.736 6.656 292 HG3 PRO 43 2HG PRO 43 9.728 1.003 4.932 293 HD2 PRO 43 1HD PRO 43 11.564 1.537 6.850 294 HD3 PRO 43 2HD PRO 43 11.451 2.477 5.348 295 H SER 44 H SER 44 8.342 5.191 8.727 296 HA SER 44 HA SER 44 7.166 3.112 10.455 297 HB2 SER 44 1HB SER 44 8.999 5.381 11.115 298 HB3 SER 44 2HB SER 44 7.797 4.892 12.308 299 HG SER 44 HG SER 44 10.004 3.490 11.316 300 H SER 45 H SER 45 7.130 6.581 9.677 301 HA SER 45 HA SER 45 5.498 8.169 10.028 302 HB2 SER 45 1HB SER 45 3.401 7.593 8.787 303 HB3 SER 45 2HB SER 45 4.874 7.281 7.868 304 HG SER 45 HG SER 45 3.010 5.505 8.907 305 H GLY 46 H GLY 46 5.871 6.743 12.381 306 HA2 GLY 46 1HA GLY 46 3.278 5.909 13.379 307 HA3 GLY 46 2HA GLY 46 4.788 5.926 14.278 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -18.604 3.614 -8.311 2 HA2 GLY 1 1HA GLY 1 -19.554 1.528 -7.051 3 HA3 GLY 1 2HA GLY 1 -17.840 1.563 -7.435 4 H SER 2 H SER 2 -19.954 3.011 -4.951 5 HA SER 2 HA SER 2 -17.942 2.948 -2.952 6 HB2 SER 2 1HB SER 2 -19.936 4.491 -2.983 7 HB3 SER 2 2HB SER 2 -20.929 3.113 -2.508 8 HG SER 2 HG SER 2 -18.674 4.027 -1.049 9 H SER 3 H SER 3 -17.162 1.190 -2.017 10 HA SER 3 HA SER 3 -19.017 -1.002 -1.367 11 HB2 SER 3 1HB SER 3 -17.192 -2.611 -1.840 12 HB3 SER 3 2HB SER 3 -17.660 -1.697 -3.274 13 HG SER 3 HG SER 3 -15.340 -1.470 -1.696 14 H GLY 4 H GLY 4 -18.882 -1.809 0.658 15 HA2 GLY 4 1HA GLY 4 -16.520 -1.411 2.281 16 HA3 GLY 4 2HA GLY 4 -17.911 -0.462 2.784 17 H SER 5 H SER 5 -17.412 -3.813 1.666 18 HA SER 5 HA SER 5 -18.521 -4.777 4.195 19 HB2 SER 5 1HB SER 5 -19.583 -5.632 1.491 20 HB3 SER 5 2HB SER 5 -20.077 -6.290 3.050 21 HG SER 5 HG SER 5 -20.602 -3.768 1.932 22 H SER 6 H SER 6 -17.971 -6.932 4.702 23 HA SER 6 HA SER 6 -15.557 -7.844 3.336 24 HB2 SER 6 1HB SER 6 -15.698 -7.553 5.867 25 HB3 SER 6 2HB SER 6 -16.731 -8.982 5.875 26 HG SER 6 HG SER 6 -15.055 -10.203 5.147 27 H GLY 7 H GLY 7 -15.388 -9.737 2.249 28 HA2 GLY 7 1HA GLY 7 -16.779 -12.057 2.465 29 HA3 GLY 7 2HA GLY 7 -17.841 -11.052 1.490 30 H THR 8 H THR 8 -17.041 -10.257 -0.551 31 HA THR 8 HA THR 8 -14.978 -12.029 -1.688 32 HB THR 8 HB THR 8 -16.108 -11.552 -3.900 33 HG1 THR 8 1HG THR 8 -17.320 -9.721 -3.221 34 HG21 THR 8 3HG2 THR 8 -17.143 -13.195 -1.686 35 HG22 THR 8 1HG2 THR 8 -16.685 -13.659 -3.324 36 HG23 THR 8 2HG2 THR 8 -18.265 -12.937 -3.021 37 H GLY 9 H GLY 9 -13.143 -10.832 -1.590 38 HA2 GLY 9 1HA GLY 9 -12.969 -8.544 -3.352 39 HA3 GLY 9 2HA GLY 9 -12.715 -8.168 -1.654 40 H GLU 10 H GLU 10 -11.031 -8.454 -4.293 41 HA GLU 10 HA GLU 10 -8.707 -9.560 -2.901 42 HB2 GLU 10 1HB GLU 10 -9.856 -10.538 -5.484 43 HB3 GLU 10 2HB GLU 10 -8.112 -10.564 -5.262 44 HG2 GLU 10 1HG GLU 10 -9.898 -11.764 -3.194 45 HG3 GLU 10 2HG GLU 10 -9.522 -12.653 -4.669 46 H LYS 11 H LYS 11 -6.653 -9.046 -4.079 47 HA LYS 11 HA LYS 11 -6.879 -6.400 -5.355 48 HB2 LYS 11 1HB LYS 11 -4.520 -7.512 -3.828 49 HB3 LYS 11 2HB LYS 11 -4.692 -5.877 -4.451 50 HG2 LYS 11 1HG LYS 11 -6.145 -5.249 -2.799 51 HG3 LYS 11 2HG LYS 11 -6.728 -6.894 -2.536 52 HD2 LYS 11 1HD LYS 11 -4.852 -7.480 -1.270 53 HD3 LYS 11 2HD LYS 11 -3.904 -6.121 -1.878 54 HE2 LYS 11 1HE LYS 11 -4.530 -5.633 0.376 55 HE3 LYS 11 2HE LYS 11 -5.474 -4.590 -0.687 56 HZ1 LYS 11 3HZ LYS 11 -6.354 -6.700 1.084 57 HZ2 LYS 11 1HZ LYS 11 -7.090 -6.709 -0.439 58 HZ3 LYS 11 2HZ LYS 11 -7.181 -5.330 0.536 59 HA PRO 12 HA PRO 12 -5.317 -8.714 -8.879 60 HB2 PRO 12 1HB PRO 12 -5.688 -6.696 -10.657 61 HB3 PRO 12 2HB PRO 12 -7.000 -7.743 -10.105 62 HG2 PRO 12 1HG PRO 12 -6.259 -4.991 -9.189 63 HG3 PRO 12 2HG PRO 12 -7.866 -5.666 -9.520 64 HD2 PRO 12 1HD PRO 12 -6.879 -5.417 -7.011 65 HD3 PRO 12 2HD PRO 12 -7.977 -6.731 -7.479 66 H TYR 13 H TYR 13 -4.398 -5.431 -7.938 67 HA TYR 13 HA TYR 13 -1.944 -5.516 -9.458 68 HB2 TYR 13 1HB TYR 13 -2.673 -3.495 -7.341 69 HB3 TYR 13 2HB TYR 13 -1.570 -3.295 -8.698 70 HD1 TYR 13 2HD TYR 13 -5.104 -3.464 -7.697 71 HD2 TYR 13 1HD TYR 13 -2.388 -2.756 -10.894 72 HE1 TYR 13 2HE TYR 13 -6.939 -2.527 -9.040 73 HE2 TYR 13 1HE TYR 13 -4.214 -1.816 -12.246 74 HH TYR 13 HH TYR 13 -7.422 -1.305 -10.898 75 H ARG 14 H ARG 14 -0.097 -6.367 -8.788 76 HA ARG 14 HA ARG 14 0.397 -6.590 -5.895 77 HB2 ARG 14 1HB ARG 14 -0.245 -8.756 -7.289 78 HB3 ARG 14 2HB ARG 14 1.457 -8.692 -7.724 79 HG2 ARG 14 1HG ARG 14 2.122 -8.873 -5.439 80 HG3 ARG 14 2HG ARG 14 0.455 -8.693 -4.889 81 HD2 ARG 14 1HD ARG 14 -0.131 -10.798 -5.996 82 HD3 ARG 14 2HD ARG 14 1.537 -10.975 -6.537 83 HE ARG 14 HE ARG 14 0.502 -11.475 -3.890 84 HH11 ARG 14 2HH1 ARG 14 3.326 -10.828 -5.820 85 HH12 ARG 14 1HH1 ARG 14 4.427 -11.522 -4.676 86 HH21 ARG 14 2HH2 ARG 14 1.941 -12.391 -2.376 87 HH22 ARG 14 1HH2 ARG 14 3.638 -12.411 -2.718 88 H CYS 15 H CYS 15 2.234 -5.665 -5.285 89 HA CYS 15 HA CYS 15 3.943 -4.278 -6.946 90 HB2 CYS 15 1HB CYS 15 4.022 -3.749 -4.650 91 HB3 CYS 15 2HB CYS 15 4.325 -5.420 -4.187 92 H GLY 16 H GLY 16 6.147 -4.647 -7.582 93 HA2 GLY 16 1HA GLY 16 6.602 -7.462 -8.293 94 HA3 GLY 16 2HA GLY 16 7.312 -6.073 -9.102 95 H GLU 17 H GLU 17 8.076 -4.762 -6.606 96 HA GLU 17 HA GLU 17 10.664 -5.818 -6.331 97 HB2 GLU 17 1HB GLU 17 9.700 -3.448 -5.773 98 HB3 GLU 17 2HB GLU 17 9.419 -4.142 -4.183 99 HG2 GLU 17 1HG GLU 17 11.572 -2.874 -4.486 100 HG3 GLU 17 2HG GLU 17 11.711 -4.497 -3.813 101 H CYS 18 H CYS 18 8.197 -5.625 -3.763 102 HA CYS 18 HA CYS 18 9.450 -7.901 -2.435 103 HB2 CYS 18 1HB CYS 18 7.992 -7.328 -0.538 104 HB3 CYS 18 2HB CYS 18 8.933 -5.939 -1.071 105 H GLY 19 H GLY 19 6.304 -6.926 -3.750 106 HA2 GLY 19 1HA GLY 19 5.124 -8.689 -5.025 107 HA3 GLY 19 2HA GLY 19 5.525 -9.778 -3.705 108 H LYS 20 H LYS 20 4.692 -6.610 -2.754 109 HA LYS 20 HA LYS 20 2.501 -7.438 -1.211 110 HB2 LYS 20 1HB LYS 20 3.702 -4.838 -1.985 111 HB3 LYS 20 2HB LYS 20 2.038 -4.795 -1.416 112 HG2 LYS 20 1HG LYS 20 3.053 -6.287 0.522 113 HG3 LYS 20 2HG LYS 20 4.532 -5.449 0.046 114 HD2 LYS 20 1HD LYS 20 3.567 -3.322 0.485 115 HD3 LYS 20 2HD LYS 20 1.953 -4.017 0.657 116 HE2 LYS 20 1HE LYS 20 4.280 -4.617 2.479 117 HE3 LYS 20 2HE LYS 20 3.028 -3.423 2.818 118 HZ1 LYS 20 3HZ LYS 20 2.021 -6.040 2.140 119 HZ2 LYS 20 1HZ LYS 20 1.576 -5.001 3.399 120 HZ3 LYS 20 2HZ LYS 20 2.929 -6.002 3.567 121 H ALA 21 H ALA 21 0.333 -6.070 -1.462 122 HA ALA 21 HA ALA 21 -0.561 -6.013 -4.238 123 HB1 ALA 21 3HB ALA 21 -1.009 -8.298 -3.576 124 HB2 ALA 21 1HB ALA 21 -1.870 -7.739 -2.141 125 HB3 ALA 21 2HB ALA 21 -2.525 -7.413 -3.746 126 H PHE 22 H PHE 22 -2.680 -5.001 -4.491 127 HA PHE 22 HA PHE 22 -3.850 -3.631 -2.250 128 HB2 PHE 22 1HB PHE 22 -2.561 -1.962 -4.417 129 HB3 PHE 22 2HB PHE 22 -3.434 -1.369 -3.008 130 HD1 PHE 22 1HD PHE 22 -0.377 -3.132 -4.098 131 HD2 PHE 22 2HD PHE 22 -2.353 -1.072 -0.941 132 HE1 PHE 22 1HE PHE 22 1.732 -3.058 -2.831 133 HE2 PHE 22 2HE PHE 22 -0.248 -0.994 0.330 134 HZ PHE 22 HZ PHE 22 1.798 -1.986 -0.615 135 H ALA 23 H ALA 23 -5.915 -2.915 -2.667 136 HA ALA 23 HA ALA 23 -7.250 -4.056 -4.891 137 HB1 ALA 23 3HB ALA 23 -8.779 -1.971 -3.610 138 HB2 ALA 23 1HB ALA 23 -9.056 -3.713 -3.643 139 HB3 ALA 23 2HB ALA 23 -7.995 -3.011 -2.421 140 H GLN 24 H GLN 24 -5.986 -0.862 -4.211 141 HA GLN 24 HA GLN 24 -6.809 -0.026 -6.913 142 HB2 GLN 24 1HB GLN 24 -6.772 1.545 -4.347 143 HB3 GLN 24 2HB GLN 24 -6.727 2.342 -5.914 144 HG2 GLN 24 1HG GLN 24 -8.965 2.371 -5.505 145 HG3 GLN 24 2HG GLN 24 -8.828 0.848 -6.382 146 HE21 GLN 24 1HE2 GLN 24 -10.365 -0.383 -5.518 147 HE22 GLN 24 2HE2 GLN 24 -10.532 -0.739 -3.835 148 H LYS 25 H LYS 25 -5.320 1.080 -8.149 149 HA LYS 25 HA LYS 25 -2.617 0.496 -7.785 150 HB2 LYS 25 1HB LYS 25 -4.170 2.274 -9.593 151 HB3 LYS 25 2HB LYS 25 -2.438 2.560 -9.480 152 HG2 LYS 25 1HG LYS 25 -3.694 -0.090 -10.166 153 HG3 LYS 25 2HG LYS 25 -3.072 1.070 -11.343 154 HD2 LYS 25 1HD LYS 25 -1.503 -0.366 -9.204 155 HD3 LYS 25 2HD LYS 25 -1.405 -0.625 -10.947 156 HE2 LYS 25 1HE LYS 25 -0.573 1.823 -9.400 157 HE3 LYS 25 2HE LYS 25 0.466 0.711 -10.290 158 HZ1 LYS 25 3HZ LYS 25 -1.652 2.329 -11.587 159 HZ2 LYS 25 1HZ LYS 25 -0.404 1.466 -12.336 160 HZ3 LYS 25 2HZ LYS 25 -0.051 2.855 -11.439 161 H ALA 26 H ALA 26 -4.306 3.602 -7.340 162 HA ALA 26 HA ALA 26 -2.290 5.248 -6.588 163 HB1 ALA 26 3HB ALA 26 -3.881 6.485 -5.245 164 HB2 ALA 26 1HB ALA 26 -4.657 5.908 -6.720 165 HB3 ALA 26 2HB ALA 26 -4.956 5.088 -5.187 166 H ASN 27 H ASN 27 -3.598 2.588 -4.742 167 HA ASN 27 HA ASN 27 -2.253 3.316 -2.302 168 HB2 ASN 27 1HB ASN 27 -4.411 2.004 -2.420 169 HB3 ASN 27 2HB ASN 27 -3.464 0.638 -3.002 170 HD21 ASN 27 1HD2 ASN 27 -4.857 0.206 -0.809 171 HD22 ASN 27 2HD2 ASN 27 -3.852 0.178 0.596 172 H LEU 28 H LEU 28 -1.646 1.226 -5.045 173 HA LEU 28 HA LEU 28 0.606 -0.094 -3.840 174 HB2 LEU 28 1HB LEU 28 -0.386 -1.425 -5.430 175 HB3 LEU 28 2HB LEU 28 -0.684 -0.076 -6.525 176 HG LEU 28 HG LEU 28 1.802 -0.046 -6.970 177 HD11 LEU 28 1HD1 LEU 28 3.149 -1.871 -6.355 178 HD12 LEU 28 2HD1 LEU 28 1.766 -2.808 -5.791 179 HD13 LEU 28 3HD1 LEU 28 2.305 -1.397 -4.881 180 HD21 LEU 28 3HD2 LEU 28 1.672 -2.147 -8.399 181 HD22 LEU 28 1HD2 LEU 28 0.424 -0.927 -8.658 182 HD23 LEU 28 2HD2 LEU 28 0.059 -2.376 -7.721 183 H THR 29 H THR 29 0.192 2.362 -6.381 184 HA THR 29 HA THR 29 2.831 2.804 -7.041 185 HB THR 29 HB THR 29 0.558 4.786 -6.881 186 HG1 THR 29 1HG THR 29 0.047 3.675 -8.612 187 HG21 THR 29 3HG2 THR 29 2.668 6.000 -6.760 188 HG22 THR 29 1HG2 THR 29 1.920 6.229 -8.339 189 HG23 THR 29 2HG2 THR 29 3.276 5.116 -8.159 190 H GLN 30 H GLN 30 0.985 4.175 -4.349 191 HA GLN 30 HA GLN 30 3.047 5.900 -3.441 192 HB2 GLN 30 1HB GLN 30 1.681 6.306 -1.554 193 HB3 GLN 30 2HB GLN 30 0.572 6.052 -2.894 194 HG2 GLN 30 1HG GLN 30 -0.069 3.949 -2.125 195 HG3 GLN 30 2HG GLN 30 1.335 3.807 -1.068 196 HE21 GLN 30 1HE2 GLN 30 -1.227 3.326 -0.170 197 HE22 GLN 30 2HE2 GLN 30 -1.673 4.552 0.962 198 H HIS 31 H HIS 31 2.486 2.528 -3.125 199 HA HIS 31 HA HIS 31 4.071 2.185 -0.743 200 HB2 HIS 31 1HB HIS 31 2.572 0.458 -0.849 201 HB3 HIS 31 2HB HIS 31 2.587 0.410 -2.609 202 HD1 HIS 31 1HD HIS 31 4.298 -0.981 0.396 203 HD2 HIS 31 2HD HIS 31 4.566 -1.236 -3.742 204 HE1 HIS 31 1HE HIS 31 5.810 -2.938 -0.061 205 H GLN 32 H GLN 32 4.503 1.637 -4.218 206 HA GLN 32 HA GLN 32 6.971 0.415 -4.229 207 HB2 GLN 32 1HB GLN 32 6.100 2.545 -6.186 208 HB3 GLN 32 2HB GLN 32 7.259 1.254 -6.474 209 HG2 GLN 32 1HG GLN 32 5.180 -0.253 -5.837 210 HG3 GLN 32 2HG GLN 32 4.299 1.168 -6.395 211 HE21 GLN 32 1HE2 GLN 32 3.579 -0.507 -7.980 212 HE22 GLN 32 2HE2 GLN 32 4.512 -0.685 -9.423 213 H ARG 33 H ARG 33 6.184 3.747 -3.577 214 HA ARG 33 HA ARG 33 8.609 5.006 -3.989 215 HB2 ARG 33 1HB ARG 33 6.885 5.597 -1.593 216 HB3 ARG 33 2HB ARG 33 7.852 6.715 -2.546 217 HG2 ARG 33 1HG ARG 33 6.265 6.107 -4.477 218 HG3 ARG 33 2HG ARG 33 5.215 5.471 -3.210 219 HD2 ARG 33 1HD ARG 33 6.337 8.202 -2.869 220 HD3 ARG 33 2HD ARG 33 5.041 7.977 -4.043 221 HE ARG 33 HE ARG 33 4.369 6.773 -1.570 222 HH11 ARG 33 2HH1 ARG 33 4.652 9.870 -3.133 223 HH12 ARG 33 1HH1 ARG 33 3.466 10.633 -2.125 224 HH21 ARG 33 2HH2 ARG 33 2.806 7.765 -0.237 225 HH22 ARG 33 1HH2 ARG 33 2.417 9.435 -0.478 226 H ILE 34 H ILE 34 7.729 2.706 -1.566 227 HA ILE 34 HA ILE 34 9.720 3.322 0.353 228 HB ILE 34 HB ILE 34 9.175 1.309 1.421 229 HG12 ILE 34 1HG1 ILE 34 8.042 0.298 -1.197 230 HG13 ILE 34 2HG1 ILE 34 9.602 -0.164 -0.524 231 HG21 ILE 34 1HG2 ILE 34 7.178 2.177 1.864 232 HG22 ILE 34 2HG2 ILE 34 7.056 2.868 0.247 233 HG23 ILE 34 3HG2 ILE 34 6.533 1.209 0.538 234 HD11 ILE 34 3HD1 ILE 34 8.193 -1.919 0.037 235 HD12 ILE 34 1HD1 ILE 34 8.269 -0.954 1.511 236 HD13 ILE 34 2HD1 ILE 34 6.860 -0.843 0.455 237 H HIS 35 H HIS 35 9.670 1.285 -2.512 238 HA HIS 35 HA HIS 35 12.285 0.178 -1.985 239 HB2 HIS 35 1HB HIS 35 10.624 0.041 -4.510 240 HB3 HIS 35 2HB HIS 35 12.023 -0.956 -4.125 241 HD1 HIS 35 1HD HIS 35 11.550 -2.224 -1.584 242 HD2 HIS 35 2HD HIS 35 8.365 -1.363 -4.108 243 HE1 HIS 35 1HE HIS 35 9.688 -3.753 -0.862 244 H THR 36 H THR 36 11.603 3.168 -2.551 245 HA THR 36 HA THR 36 13.773 3.569 -4.505 246 HB THR 36 HB THR 36 12.709 5.614 -5.261 247 HG1 THR 36 1HG THR 36 10.447 5.920 -4.444 248 HG21 THR 36 3HG2 THR 36 10.329 4.365 -5.801 249 HG22 THR 36 1HG2 THR 36 11.396 3.005 -5.452 250 HG23 THR 36 2HG2 THR 36 11.819 4.156 -6.720 251 H GLY 37 H GLY 37 15.480 4.665 -3.780 252 HA2 GLY 37 1HA GLY 37 16.227 6.741 -2.648 253 HA3 GLY 37 2HA GLY 37 15.131 6.306 -1.345 254 H GLU 38 H GLU 38 15.845 5.025 0.268 255 HA GLU 38 HA GLU 38 18.506 3.803 -0.058 256 HB2 GLU 38 1HB GLU 38 18.672 5.794 1.348 257 HB3 GLU 38 2HB GLU 38 17.398 5.182 2.393 258 HG2 GLU 38 1HG GLU 38 18.796 3.350 3.098 259 HG3 GLU 38 2HG GLU 38 20.059 3.842 1.970 260 H LYS 39 H LYS 39 18.425 1.674 0.108 261 HA LYS 39 HA LYS 39 16.175 0.416 1.482 262 HB2 LYS 39 1HB LYS 39 16.912 -1.647 0.383 263 HB3 LYS 39 2HB LYS 39 16.681 -0.351 -0.783 264 HG2 LYS 39 1HG LYS 39 19.001 -0.051 -1.061 265 HG3 LYS 39 2HG LYS 39 19.374 -1.025 0.362 266 HD2 LYS 39 1HD LYS 39 18.086 -2.882 -1.004 267 HD3 LYS 39 2HD LYS 39 18.565 -1.879 -2.374 268 HE2 LYS 39 1HE LYS 39 20.900 -2.032 -1.672 269 HE3 LYS 39 2HE LYS 39 20.426 -3.016 -0.288 270 HZ1 LYS 39 3HZ LYS 39 21.107 -4.556 -1.862 271 HZ2 LYS 39 1HZ LYS 39 20.392 -3.727 -3.152 272 HZ3 LYS 39 2HZ LYS 39 19.425 -4.561 -2.043 273 HA PRO 40 HA PRO 40 18.483 -0.757 5.032 274 HB2 PRO 40 1HB PRO 40 17.223 -3.068 5.695 275 HB3 PRO 40 2HB PRO 40 16.492 -1.476 5.926 276 HG2 PRO 40 1HG PRO 40 16.065 -3.453 3.720 277 HG3 PRO 40 2HG PRO 40 14.870 -2.476 4.593 278 HD2 PRO 40 1HD PRO 40 15.783 -1.807 2.133 279 HD3 PRO 40 2HD PRO 40 15.309 -0.593 3.338 280 H SER 41 H SER 41 20.525 -1.190 4.126 281 HA SER 41 HA SER 41 21.176 -3.564 2.742 282 HB2 SER 41 1HB SER 41 23.535 -2.925 3.213 283 HB3 SER 41 2HB SER 41 22.585 -1.591 2.559 284 HG SER 41 HG SER 41 22.252 -1.256 5.036 285 H GLY 42 H GLY 42 22.474 -5.346 3.463 286 HA2 GLY 42 1HA GLY 42 23.540 -6.469 5.384 287 HA3 GLY 42 2HA GLY 42 22.197 -5.886 6.356 288 HA PRO 43 HA PRO 43 21.208 -10.233 5.207 289 HB2 PRO 43 1HB PRO 43 20.140 -10.856 7.624 290 HB3 PRO 43 2HB PRO 43 21.872 -10.956 7.284 291 HG2 PRO 43 1HG PRO 43 20.336 -8.794 8.673 292 HG3 PRO 43 2HG PRO 43 21.899 -9.510 9.106 293 HD2 PRO 43 1HD PRO 43 21.691 -7.127 7.838 294 HD3 PRO 43 2HD PRO 43 23.052 -8.235 7.570 295 H SER 44 H SER 44 19.506 -10.019 3.849 296 HA SER 44 HA SER 44 16.888 -9.490 5.062 297 HB2 SER 44 1HB SER 44 16.213 -8.108 3.166 298 HB3 SER 44 2HB SER 44 17.641 -7.416 3.935 299 HG SER 44 HG SER 44 17.829 -7.470 1.652 300 H SER 45 H SER 45 15.091 -10.109 3.484 301 HA SER 45 HA SER 45 15.728 -12.759 2.450 302 HB2 SER 45 1HB SER 45 13.244 -12.998 2.277 303 HB3 SER 45 2HB SER 45 13.802 -12.628 3.908 304 HG SER 45 HG SER 45 12.907 -10.694 3.798 305 H GLY 46 H GLY 46 16.797 -10.699 0.917 306 HA2 GLY 46 1HA GLY 46 15.261 -9.756 -1.199 307 HA3 GLY 46 2HA GLY 46 16.988 -10.069 -1.281 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -15.921 -24.170 11.686 2 HA2 GLY 1 1HA GLY 1 -15.196 -23.475 9.336 3 HA3 GLY 1 2HA GLY 1 -15.818 -22.180 10.348 4 H SER 2 H SER 2 -13.013 -23.562 8.855 5 HA SER 2 HA SER 2 -11.289 -21.475 9.969 6 HB2 SER 2 1HB SER 2 -10.326 -23.681 10.047 7 HB3 SER 2 2HB SER 2 -10.672 -23.947 8.339 8 HG SER 2 HG SER 2 -8.668 -23.268 8.171 9 H SER 3 H SER 3 -12.067 -22.873 6.782 10 HA SER 3 HA SER 3 -10.920 -20.646 5.381 11 HB2 SER 3 1HB SER 3 -12.470 -23.085 4.540 12 HB3 SER 3 2HB SER 3 -12.101 -21.802 3.388 13 HG SER 3 HG SER 3 -9.985 -22.241 3.548 14 H GLY 4 H GLY 4 -11.929 -18.936 4.420 15 HA2 GLY 4 1HA GLY 4 -14.406 -18.440 3.603 16 HA3 GLY 4 2HA GLY 4 -14.638 -18.378 5.344 17 H SER 5 H SER 5 -12.846 -16.938 2.661 18 HA SER 5 HA SER 5 -12.106 -14.650 4.300 19 HB2 SER 5 1HB SER 5 -10.815 -13.916 2.376 20 HB3 SER 5 2HB SER 5 -10.490 -15.624 2.675 21 HG SER 5 HG SER 5 -10.862 -15.462 0.519 22 H SER 6 H SER 6 -12.943 -12.625 4.125 23 HA SER 6 HA SER 6 -14.965 -12.109 2.070 24 HB2 SER 6 1HB SER 6 -16.552 -11.240 3.704 25 HB3 SER 6 2HB SER 6 -16.158 -12.915 4.092 26 HG SER 6 HG SER 6 -14.921 -10.658 5.288 27 H GLY 7 H GLY 7 -15.621 -9.761 2.063 28 HA2 GLY 7 1HA GLY 7 -14.697 -7.583 3.167 29 HA3 GLY 7 2HA GLY 7 -13.201 -8.145 2.436 30 H THR 8 H THR 8 -13.451 -5.945 1.424 31 HA THR 8 HA THR 8 -15.435 -5.345 -0.447 32 HB THR 8 HB THR 8 -13.738 -3.812 -1.476 33 HG1 THR 8 1HG THR 8 -11.770 -3.717 0.025 34 HG21 THR 8 3HG2 THR 8 -13.319 -2.553 0.761 35 HG22 THR 8 1HG2 THR 8 -14.320 -3.824 1.462 36 HG23 THR 8 2HG2 THR 8 -14.974 -2.783 0.198 37 H GLY 9 H GLY 9 -12.337 -7.025 -0.851 38 HA2 GLY 9 1HA GLY 9 -12.997 -8.864 -2.701 39 HA3 GLY 9 2HA GLY 9 -12.803 -7.421 -3.685 40 H GLU 10 H GLU 10 -11.208 -9.498 -4.256 41 HA GLU 10 HA GLU 10 -8.747 -9.505 -2.824 42 HB2 GLU 10 1HB GLU 10 -9.617 -10.580 -5.493 43 HB3 GLU 10 2HB GLU 10 -7.931 -10.642 -5.001 44 HG2 GLU 10 1HG GLU 10 -8.918 -12.733 -4.473 45 HG3 GLU 10 2HG GLU 10 -8.644 -11.875 -2.958 46 H LYS 11 H LYS 11 -6.639 -9.043 -4.034 47 HA LYS 11 HA LYS 11 -6.869 -6.397 -5.307 48 HB2 LYS 11 1HB LYS 11 -4.489 -7.519 -3.822 49 HB3 LYS 11 2HB LYS 11 -4.682 -5.875 -4.416 50 HG2 LYS 11 1HG LYS 11 -6.154 -5.299 -2.746 51 HG3 LYS 11 2HG LYS 11 -6.655 -6.968 -2.465 52 HD2 LYS 11 1HD LYS 11 -4.661 -7.473 -1.303 53 HD3 LYS 11 2HD LYS 11 -3.873 -5.995 -1.860 54 HE2 LYS 11 1HE LYS 11 -5.435 -4.662 -0.535 55 HE3 LYS 11 2HE LYS 11 -6.237 -6.135 0.010 56 HZ1 LYS 11 3HZ LYS 11 -3.843 -6.742 0.791 57 HZ2 LYS 11 1HZ LYS 11 -4.817 -5.731 1.737 58 HZ3 LYS 11 2HZ LYS 11 -3.608 -5.067 0.757 59 HA PRO 12 HA PRO 12 -5.350 -8.705 -8.855 60 HB2 PRO 12 1HB PRO 12 -5.741 -6.683 -10.624 61 HB3 PRO 12 2HB PRO 12 -7.047 -7.731 -10.060 62 HG2 PRO 12 1HG PRO 12 -6.295 -4.982 -9.145 63 HG3 PRO 12 2HG PRO 12 -7.906 -5.655 -9.460 64 HD2 PRO 12 1HD PRO 12 -6.890 -5.413 -6.961 65 HD3 PRO 12 2HD PRO 12 -7.994 -6.725 -7.420 66 H TYR 13 H TYR 13 -4.393 -5.469 -7.836 67 HA TYR 13 HA TYR 13 -1.966 -5.529 -9.412 68 HB2 TYR 13 1HB TYR 13 -2.671 -3.527 -7.269 69 HB3 TYR 13 2HB TYR 13 -1.575 -3.317 -8.631 70 HD1 TYR 13 2HD TYR 13 -5.082 -3.393 -7.575 71 HD2 TYR 13 1HD TYR 13 -2.425 -2.845 -10.853 72 HE1 TYR 13 2HE TYR 13 -6.921 -2.437 -8.899 73 HE2 TYR 13 1HE TYR 13 -4.257 -1.886 -12.185 74 HH TYR 13 HH TYR 13 -7.509 -1.482 -10.814 75 H ARG 14 H ARG 14 -0.114 -6.393 -8.769 76 HA ARG 14 HA ARG 14 0.404 -6.653 -5.883 77 HB2 ARG 14 1HB ARG 14 -0.242 -8.798 -7.301 78 HB3 ARG 14 2HB ARG 14 1.454 -8.721 -7.758 79 HG2 ARG 14 1HG ARG 14 2.122 -8.865 -5.439 80 HG3 ARG 14 2HG ARG 14 0.433 -8.837 -4.928 81 HD2 ARG 14 1HD ARG 14 0.065 -10.931 -6.203 82 HD3 ARG 14 2HD ARG 14 1.788 -10.971 -6.571 83 HE ARG 14 HE ARG 14 1.818 -10.858 -3.904 84 HH11 ARG 14 2HH1 ARG 14 -0.036 -12.829 -6.095 85 HH12 ARG 14 1HH1 ARG 14 -0.153 -14.166 -5.000 86 HH21 ARG 14 2HH2 ARG 14 1.670 -12.612 -2.453 87 HH22 ARG 14 1HH2 ARG 14 0.817 -14.042 -2.928 88 H CYS 15 H CYS 15 2.202 -5.649 -5.296 89 HA CYS 15 HA CYS 15 3.906 -4.265 -6.946 90 HB2 CYS 15 1HB CYS 15 3.977 -3.755 -4.641 91 HB3 CYS 15 2HB CYS 15 4.321 -5.424 -4.198 92 H GLY 16 H GLY 16 6.075 -4.612 -7.649 93 HA2 GLY 16 1HA GLY 16 6.565 -7.419 -8.355 94 HA3 GLY 16 2HA GLY 16 7.259 -6.019 -9.159 95 H GLU 17 H GLU 17 8.011 -4.726 -6.640 96 HA GLU 17 HA GLU 17 10.615 -5.756 -6.392 97 HB2 GLU 17 1HB GLU 17 9.600 -3.402 -5.796 98 HB3 GLU 17 2HB GLU 17 9.389 -4.123 -4.206 99 HG2 GLU 17 1HG GLU 17 11.482 -2.828 -4.456 100 HG3 GLU 17 2HG GLU 17 11.734 -4.509 -3.990 101 H CYS 18 H CYS 18 8.182 -5.591 -3.790 102 HA CYS 18 HA CYS 18 9.458 -7.867 -2.490 103 HB2 CYS 18 1HB CYS 18 7.997 -7.328 -0.587 104 HB3 CYS 18 2HB CYS 18 8.909 -5.918 -1.116 105 H GLY 19 H GLY 19 6.289 -6.930 -3.782 106 HA2 GLY 19 1HA GLY 19 5.129 -8.696 -5.071 107 HA3 GLY 19 2HA GLY 19 5.561 -9.795 -3.770 108 H LYS 20 H LYS 20 4.673 -6.651 -2.779 109 HA LYS 20 HA LYS 20 2.509 -7.544 -1.229 110 HB2 LYS 20 1HB LYS 20 3.660 -4.911 -1.969 111 HB3 LYS 20 2HB LYS 20 2.001 -4.907 -1.383 112 HG2 LYS 20 1HG LYS 20 3.046 -6.404 0.525 113 HG3 LYS 20 2HG LYS 20 4.520 -5.560 0.043 114 HD2 LYS 20 1HD LYS 20 3.735 -3.516 0.731 115 HD3 LYS 20 2HD LYS 20 2.045 -3.963 0.486 116 HE2 LYS 20 1HE LYS 20 2.331 -3.830 2.819 117 HE3 LYS 20 2HE LYS 20 2.332 -5.552 2.442 118 HZ1 LYS 20 3HZ LYS 20 4.251 -4.176 3.842 119 HZ2 LYS 20 1HZ LYS 20 4.959 -4.470 2.334 120 HZ3 LYS 20 2HZ LYS 20 4.369 -5.758 3.256 121 H ALA 21 H ALA 21 0.368 -6.003 -1.496 122 HA ALA 21 HA ALA 21 -0.556 -5.987 -4.247 123 HB1 ALA 21 3HB ALA 21 -1.460 -8.023 -4.132 124 HB2 ALA 21 1HB ALA 21 -1.235 -8.116 -2.385 125 HB3 ALA 21 2HB ALA 21 -2.655 -7.307 -3.050 126 H PHE 22 H PHE 22 -2.681 -4.982 -4.477 127 HA PHE 22 HA PHE 22 -3.851 -3.656 -2.209 128 HB2 PHE 22 1HB PHE 22 -2.561 -1.952 -4.349 129 HB3 PHE 22 2HB PHE 22 -3.455 -1.376 -2.946 130 HD1 PHE 22 1HD PHE 22 -0.400 -3.206 -3.965 131 HD2 PHE 22 2HD PHE 22 -2.375 -0.995 -0.911 132 HE1 PHE 22 1HE PHE 22 1.692 -3.130 -2.671 133 HE2 PHE 22 2HE PHE 22 -0.287 -0.915 0.387 134 HZ PHE 22 HZ PHE 22 1.751 -1.982 -0.493 135 H ALA 23 H ALA 23 -5.925 -2.968 -2.602 136 HA ALA 23 HA ALA 23 -7.284 -4.089 -4.802 137 HB1 ALA 23 3HB ALA 23 -9.225 -3.328 -3.824 138 HB2 ALA 23 1HB ALA 23 -8.138 -3.397 -2.437 139 HB3 ALA 23 2HB ALA 23 -8.472 -1.852 -3.222 140 H GLN 24 H GLN 24 -6.009 -0.875 -4.188 141 HA GLN 24 HA GLN 24 -6.835 -0.093 -6.906 142 HB2 GLN 24 1HB GLN 24 -6.882 1.398 -4.333 143 HB3 GLN 24 2HB GLN 24 -6.457 2.300 -5.781 144 HG2 GLN 24 1HG GLN 24 -8.534 2.041 -6.723 145 HG3 GLN 24 2HG GLN 24 -8.887 0.580 -5.802 146 HE21 GLN 24 1HE2 GLN 24 -9.483 0.785 -3.602 147 HE22 GLN 24 2HE2 GLN 24 -10.164 2.255 -3.002 148 H LYS 25 H LYS 25 -5.387 1.345 -8.041 149 HA LYS 25 HA LYS 25 -2.672 0.535 -7.819 150 HB2 LYS 25 1HB LYS 25 -4.216 2.390 -9.567 151 HB3 LYS 25 2HB LYS 25 -2.468 2.576 -9.518 152 HG2 LYS 25 1HG LYS 25 -3.926 0.030 -10.197 153 HG3 LYS 25 2HG LYS 25 -3.207 1.143 -11.363 154 HD2 LYS 25 1HD LYS 25 -1.822 -0.571 -9.316 155 HD3 LYS 25 2HD LYS 25 -1.627 -0.585 -11.070 156 HE2 LYS 25 1HE LYS 25 -0.909 1.928 -10.635 157 HE3 LYS 25 2HE LYS 25 -0.520 1.285 -9.041 158 HZ1 LYS 25 3HZ LYS 25 0.927 1.029 -11.449 159 HZ2 LYS 25 1HZ LYS 25 0.493 -0.509 -10.895 160 HZ3 LYS 25 2HZ LYS 25 1.365 0.535 -9.892 161 H ALA 26 H ALA 26 -4.267 3.685 -7.329 162 HA ALA 26 HA ALA 26 -2.191 5.273 -6.618 163 HB1 ALA 26 3HB ALA 26 -4.853 5.165 -5.204 164 HB2 ALA 26 1HB ALA 26 -3.726 6.521 -5.186 165 HB3 ALA 26 2HB ALA 26 -4.506 6.043 -6.694 166 H ASN 27 H ASN 27 -3.584 2.689 -4.704 167 HA ASN 27 HA ASN 27 -2.175 3.359 -2.300 168 HB2 ASN 27 1HB ASN 27 -4.358 1.928 -2.654 169 HB3 ASN 27 2HB ASN 27 -3.213 0.603 -2.836 170 HD21 ASN 27 1HD2 ASN 27 -1.312 1.074 -1.046 171 HD22 ASN 27 2HD2 ASN 27 -1.953 1.113 0.558 172 H LEU 28 H LEU 28 -1.623 1.237 -5.042 173 HA LEU 28 HA LEU 28 0.652 -0.066 -3.872 174 HB2 LEU 28 1HB LEU 28 -0.379 -1.400 -5.439 175 HB3 LEU 28 2HB LEU 28 -0.671 -0.058 -6.543 176 HG LEU 28 HG LEU 28 1.808 -0.057 -7.012 177 HD11 LEU 28 1HD1 LEU 28 2.304 -1.399 -4.906 178 HD12 LEU 28 2HD1 LEU 28 3.153 -1.869 -6.378 179 HD13 LEU 28 3HD1 LEU 28 1.772 -2.811 -5.818 180 HD21 LEU 28 3HD2 LEU 28 0.011 -2.352 -7.726 181 HD22 LEU 28 1HD2 LEU 28 1.638 -2.208 -8.391 182 HD23 LEU 28 2HD2 LEU 28 0.447 -0.942 -8.693 183 H THR 29 H THR 29 0.215 2.341 -6.459 184 HA THR 29 HA THR 29 2.837 2.785 -7.152 185 HB THR 29 HB THR 29 0.573 4.776 -6.967 186 HG1 THR 29 1HG THR 29 0.375 3.030 -8.491 187 HG21 THR 29 3HG2 THR 29 2.684 5.988 -6.895 188 HG22 THR 29 1HG2 THR 29 1.915 6.198 -8.468 189 HG23 THR 29 2HG2 THR 29 3.271 5.084 -8.291 190 H GLN 30 H GLN 30 1.047 4.152 -4.424 191 HA GLN 30 HA GLN 30 3.147 5.873 -3.570 192 HB2 GLN 30 1HB GLN 30 1.807 6.316 -1.659 193 HB3 GLN 30 2HB GLN 30 0.695 6.117 -3.007 194 HG2 GLN 30 1HG GLN 30 -0.026 4.030 -2.259 195 HG3 GLN 30 2HG GLN 30 1.360 3.834 -1.189 196 HE21 GLN 30 1HE2 GLN 30 0.055 3.426 0.589 197 HE22 GLN 30 2HE2 GLN 30 -0.856 4.668 1.369 198 H HIS 31 H HIS 31 2.411 2.527 -3.087 199 HA HIS 31 HA HIS 31 4.001 2.168 -0.738 200 HB2 HIS 31 1HB HIS 31 2.494 0.452 -0.878 201 HB3 HIS 31 2HB HIS 31 2.545 0.407 -2.638 202 HD1 HIS 31 1HD HIS 31 4.211 -0.983 0.399 203 HD2 HIS 31 2HD HIS 31 4.506 -1.273 -3.735 204 HE1 HIS 31 1HE HIS 31 5.709 -2.957 -0.032 205 H GLN 32 H GLN 32 4.506 1.572 -4.199 206 HA GLN 32 HA GLN 32 6.972 0.352 -4.139 207 HB2 GLN 32 1HB GLN 32 6.231 2.467 -6.157 208 HB3 GLN 32 2HB GLN 32 7.282 1.077 -6.390 209 HG2 GLN 32 1HG GLN 32 5.122 -0.273 -5.797 210 HG3 GLN 32 2HG GLN 32 4.312 1.214 -6.288 211 HE21 GLN 32 1HE2 GLN 32 3.526 -0.565 -7.839 212 HE22 GLN 32 2HE2 GLN 32 4.382 -0.675 -9.335 213 H ARG 33 H ARG 33 6.187 3.729 -3.657 214 HA ARG 33 HA ARG 33 8.610 4.970 -4.006 215 HB2 ARG 33 1HB ARG 33 6.760 5.546 -1.690 216 HB3 ARG 33 2HB ARG 33 7.858 6.666 -2.485 217 HG2 ARG 33 1HG ARG 33 6.425 6.130 -4.596 218 HG3 ARG 33 2HG ARG 33 5.227 5.615 -3.407 219 HD2 ARG 33 1HD ARG 33 6.563 8.250 -3.040 220 HD3 ARG 33 2HD ARG 33 5.321 8.102 -4.282 221 HE ARG 33 HE ARG 33 4.097 7.045 -2.146 222 HH11 ARG 33 2HH1 ARG 33 5.896 9.995 -2.567 223 HH12 ARG 33 1HH1 ARG 33 5.003 10.865 -1.364 224 HH21 ARG 33 2HH2 ARG 33 2.913 8.180 -0.560 225 HH22 ARG 33 1HH2 ARG 33 3.307 9.831 -0.223 226 H ILE 34 H ILE 34 7.650 2.785 -1.477 227 HA ILE 34 HA ILE 34 9.630 3.406 0.427 228 HB ILE 34 HB ILE 34 9.067 1.419 1.526 229 HG12 ILE 34 1HG1 ILE 34 8.033 0.339 -1.105 230 HG13 ILE 34 2HG1 ILE 34 9.562 -0.104 -0.354 231 HG21 ILE 34 1HG2 ILE 34 6.449 1.283 0.537 232 HG22 ILE 34 2HG2 ILE 34 7.037 2.232 1.902 233 HG23 ILE 34 3HG2 ILE 34 6.976 2.948 0.292 234 HD11 ILE 34 3HD1 ILE 34 8.055 -1.841 0.130 235 HD12 ILE 34 1HD1 ILE 34 8.211 -0.907 1.618 236 HD13 ILE 34 2HD1 ILE 34 6.784 -0.712 0.600 237 H HIS 35 H HIS 35 9.639 1.328 -2.408 238 HA HIS 35 HA HIS 35 12.222 0.199 -1.821 239 HB2 HIS 35 1HB HIS 35 10.649 0.138 -4.404 240 HB3 HIS 35 2HB HIS 35 12.024 -0.884 -3.998 241 HD1 HIS 35 1HD HIS 35 11.450 -2.186 -1.488 242 HD2 HIS 35 2HD HIS 35 8.372 -1.265 -4.121 243 HE1 HIS 35 1HE HIS 35 9.553 -3.714 -0.864 244 H THR 36 H THR 36 10.956 2.501 -4.221 245 HA THR 36 HA THR 36 13.132 3.118 -5.691 246 HB THR 36 HB THR 36 12.317 5.423 -5.892 247 HG1 THR 36 1HG THR 36 10.850 4.694 -3.583 248 HG21 THR 36 3HG2 THR 36 9.724 4.602 -6.090 249 HG22 THR 36 1HG2 THR 36 10.585 3.064 -6.122 250 HG23 THR 36 2HG2 THR 36 10.964 4.312 -7.309 251 H GLY 37 H GLY 37 12.484 4.316 -2.414 252 HA2 GLY 37 1HA GLY 37 14.728 6.018 -2.236 253 HA3 GLY 37 2HA GLY 37 13.843 5.343 -0.876 254 H GLU 38 H GLU 38 15.954 5.229 0.155 255 HA GLU 38 HA GLU 38 17.137 2.625 -0.231 256 HB2 GLU 38 1HB GLU 38 18.754 5.142 -0.648 257 HB3 GLU 38 2HB GLU 38 19.464 3.557 -0.374 258 HG2 GLU 38 1HG GLU 38 17.981 2.864 -2.408 259 HG3 GLU 38 2HG GLU 38 18.001 4.593 -2.751 260 H LYS 39 H LYS 39 17.039 1.884 1.781 261 HA LYS 39 HA LYS 39 17.577 3.698 4.018 262 HB2 LYS 39 1HB LYS 39 16.479 2.111 5.421 263 HB3 LYS 39 2HB LYS 39 15.489 2.295 3.979 264 HG2 LYS 39 1HG LYS 39 16.497 0.222 3.076 265 HG3 LYS 39 2HG LYS 39 17.365 0.023 4.601 266 HD2 LYS 39 1HD LYS 39 15.530 -1.267 5.035 267 HD3 LYS 39 2HD LYS 39 14.929 0.292 5.603 268 HE2 LYS 39 1HE LYS 39 14.505 -0.667 2.786 269 HE3 LYS 39 2HE LYS 39 13.393 -1.069 4.093 270 HZ1 LYS 39 3HZ LYS 39 12.407 0.832 3.484 271 HZ2 LYS 39 1HZ LYS 39 13.781 1.438 2.705 272 HZ3 LYS 39 2HZ LYS 39 13.628 1.581 4.383 273 HA PRO 40 HA PRO 40 21.560 2.003 4.792 274 HB2 PRO 40 1HB PRO 40 21.745 2.463 7.461 275 HB3 PRO 40 2HB PRO 40 21.862 3.749 6.254 276 HG2 PRO 40 1HG PRO 40 19.519 2.928 7.926 277 HG3 PRO 40 2HG PRO 40 20.100 4.557 7.538 278 HD2 PRO 40 1HD PRO 40 18.004 3.417 6.260 279 HD3 PRO 40 2HD PRO 40 19.106 4.554 5.459 280 H SER 41 H SER 41 22.648 0.259 5.816 281 HA SER 41 HA SER 41 22.864 -1.850 6.644 282 HB2 SER 41 1HB SER 41 21.861 -0.736 8.689 283 HB3 SER 41 2HB SER 41 20.298 -1.360 8.165 284 HG SER 41 HG SER 41 21.633 -2.664 9.705 285 H GLY 42 H GLY 42 21.637 -1.551 4.157 286 HA2 GLY 42 1HA GLY 42 19.227 -3.048 3.942 287 HA3 GLY 42 2HA GLY 42 20.316 -2.643 2.624 288 HA PRO 43 HA PRO 43 20.503 -7.213 3.116 289 HB2 PRO 43 1HB PRO 43 20.643 -7.709 0.450 290 HB3 PRO 43 2HB PRO 43 19.113 -7.482 1.306 291 HG2 PRO 43 1HG PRO 43 20.668 -5.528 -0.344 292 HG3 PRO 43 2HG PRO 43 18.920 -5.825 -0.314 293 HD2 PRO 43 1HD PRO 43 20.066 -3.742 0.981 294 HD3 PRO 43 2HD PRO 43 18.610 -4.559 1.586 295 H SER 44 H SER 44 22.198 -8.711 2.467 296 HA SER 44 HA SER 44 24.777 -7.595 2.696 297 HB2 SER 44 1HB SER 44 23.876 -10.373 1.909 298 HB3 SER 44 2HB SER 44 25.559 -9.935 2.202 299 HG SER 44 HG SER 44 24.043 -10.804 3.996 300 H SER 45 H SER 45 23.227 -9.251 -0.055 301 HA SER 45 HA SER 45 25.181 -7.939 -1.827 302 HB2 SER 45 1HB SER 45 23.818 -10.605 -1.943 303 HB3 SER 45 2HB SER 45 24.322 -9.827 -3.443 304 HG SER 45 HG SER 45 26.081 -10.169 -1.255 305 H GLY 46 H GLY 46 24.228 -7.761 -4.163 306 HA2 GLY 46 1HA GLY 46 22.330 -7.258 -5.522 307 HA3 GLY 46 2HA GLY 46 21.417 -6.909 -4.061 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.237 6.653 2.761 2 HA2 GLY 1 1HA GLY 1 -8.330 9.129 4.094 3 HA3 GLY 1 2HA GLY 1 -9.748 8.246 4.640 4 H SER 2 H SER 2 -9.505 6.372 5.832 5 HA SER 2 HA SER 2 -6.750 5.609 6.527 6 HB2 SER 2 1HB SER 2 -7.581 5.286 8.900 7 HB3 SER 2 2HB SER 2 -7.457 6.963 8.367 8 HG SER 2 HG SER 2 -9.889 5.678 7.951 9 H SER 3 H SER 3 -6.564 3.453 7.464 10 HA SER 3 HA SER 3 -7.702 1.465 5.968 11 HB2 SER 3 1HB SER 3 -5.738 1.172 7.461 12 HB3 SER 3 2HB SER 3 -6.822 1.183 8.852 13 HG SER 3 HG SER 3 -6.291 -0.817 7.054 14 H GLY 4 H GLY 4 -9.793 1.047 5.684 15 HA2 GLY 4 1HA GLY 4 -11.703 1.511 7.823 16 HA3 GLY 4 2HA GLY 4 -12.078 1.050 6.168 17 H SER 5 H SER 5 -12.035 -1.144 5.578 18 HA SER 5 HA SER 5 -11.758 -3.065 7.781 19 HB2 SER 5 1HB SER 5 -14.150 -2.648 6.011 20 HB3 SER 5 2HB SER 5 -13.814 -4.238 6.696 21 HG SER 5 HG SER 5 -15.091 -2.330 7.867 22 H SER 6 H SER 6 -11.697 -5.347 6.971 23 HA SER 6 HA SER 6 -9.770 -5.545 4.874 24 HB2 SER 6 1HB SER 6 -9.791 -7.033 6.874 25 HB3 SER 6 2HB SER 6 -11.271 -7.776 6.266 26 HG SER 6 HG SER 6 -10.165 -8.663 4.613 27 H GLY 7 H GLY 7 -10.911 -4.684 3.066 28 HA2 GLY 7 1HA GLY 7 -13.279 -5.233 1.963 29 HA3 GLY 7 2HA GLY 7 -11.823 -5.174 0.981 30 H THR 8 H THR 8 -14.426 -6.879 1.153 31 HA THR 8 HA THR 8 -13.612 -9.548 1.613 32 HB THR 8 HB THR 8 -15.973 -8.926 1.633 33 HG1 THR 8 1HG THR 8 -15.078 -10.860 -0.223 34 HG21 THR 8 3HG2 THR 8 -15.844 -7.245 -0.193 35 HG22 THR 8 1HG2 THR 8 -17.180 -8.379 -0.386 36 HG23 THR 8 2HG2 THR 8 -15.717 -8.566 -1.354 37 H GLY 9 H GLY 9 -13.858 -7.596 -1.342 38 HA2 GLY 9 1HA GLY 9 -13.258 -9.579 -3.208 39 HA3 GLY 9 2HA GLY 9 -12.914 -7.868 -3.415 40 H GLU 10 H GLU 10 -11.077 -8.907 -4.640 41 HA GLU 10 HA GLU 10 -8.838 -9.424 -2.794 42 HB2 GLU 10 1HB GLU 10 -9.362 -10.581 -5.533 43 HB3 GLU 10 2HB GLU 10 -7.818 -10.717 -4.705 44 HG2 GLU 10 1HG GLU 10 -8.804 -12.714 -4.175 45 HG3 GLU 10 2HG GLU 10 -9.238 -11.728 -2.780 46 H LYS 11 H LYS 11 -6.665 -9.008 -3.982 47 HA LYS 11 HA LYS 11 -6.882 -6.384 -5.301 48 HB2 LYS 11 1HB LYS 11 -4.518 -7.488 -3.777 49 HB3 LYS 11 2HB LYS 11 -4.705 -5.851 -4.392 50 HG2 LYS 11 1HG LYS 11 -6.153 -5.242 -2.730 51 HG3 LYS 11 2HG LYS 11 -6.727 -6.892 -2.474 52 HD2 LYS 11 1HD LYS 11 -4.605 -7.474 -1.418 53 HD3 LYS 11 2HD LYS 11 -4.005 -5.839 -1.701 54 HE2 LYS 11 1HE LYS 11 -5.515 -4.905 -0.164 55 HE3 LYS 11 2HE LYS 11 -6.517 -6.355 -0.139 56 HZ1 LYS 11 3HZ LYS 11 -5.299 -6.361 1.855 57 HZ2 LYS 11 1HZ LYS 11 -3.846 -5.971 1.080 58 HZ3 LYS 11 2HZ LYS 11 -4.534 -7.501 0.867 59 HA PRO 12 HA PRO 12 -5.322 -8.730 -8.806 60 HB2 PRO 12 1HB PRO 12 -5.689 -6.726 -10.601 61 HB3 PRO 12 2HB PRO 12 -7.003 -7.767 -10.041 62 HG2 PRO 12 1HG PRO 12 -6.259 -5.009 -9.146 63 HG3 PRO 12 2HG PRO 12 -7.866 -5.683 -9.473 64 HD2 PRO 12 1HD PRO 12 -6.880 -5.416 -6.965 65 HD3 PRO 12 2HD PRO 12 -7.981 -6.732 -7.424 66 H TYR 13 H TYR 13 -4.394 -5.449 -7.876 67 HA TYR 13 HA TYR 13 -1.948 -5.533 -9.404 68 HB2 TYR 13 1HB TYR 13 -2.677 -3.526 -7.273 69 HB3 TYR 13 2HB TYR 13 -1.556 -3.319 -8.614 70 HD1 TYR 13 2HD TYR 13 -5.099 -3.461 -7.652 71 HD2 TYR 13 1HD TYR 13 -2.347 -2.779 -10.824 72 HE1 TYR 13 2HE TYR 13 -6.912 -2.505 -9.012 73 HE2 TYR 13 1HE TYR 13 -4.152 -1.819 -12.192 74 HH TYR 13 HH TYR 13 -6.373 -1.522 -12.364 75 H ARG 14 H ARG 14 -0.093 -6.382 -8.750 76 HA ARG 14 HA ARG 14 0.419 -6.623 -5.862 77 HB2 ARG 14 1HB ARG 14 -0.254 -8.783 -7.244 78 HB3 ARG 14 2HB ARG 14 1.441 -8.731 -7.709 79 HG2 ARG 14 1HG ARG 14 2.115 -8.840 -5.386 80 HG3 ARG 14 2HG ARG 14 0.426 -8.798 -4.875 81 HD2 ARG 14 1HD ARG 14 1.208 -11.070 -4.801 82 HD3 ARG 14 2HD ARG 14 0.047 -10.908 -6.117 83 HE ARG 14 HE ARG 14 2.385 -10.537 -7.380 84 HH11 ARG 14 2HH1 ARG 14 1.306 -12.973 -5.138 85 HH12 ARG 14 1HH1 ARG 14 2.315 -14.216 -5.801 86 HH21 ARG 14 2HH2 ARG 14 3.718 -12.165 -8.261 87 HH22 ARG 14 1HH2 ARG 14 3.686 -13.755 -7.577 88 H CYS 15 H CYS 15 2.222 -5.615 -5.299 89 HA CYS 15 HA CYS 15 3.938 -4.278 -6.970 90 HB2 CYS 15 1HB CYS 15 4.028 -3.738 -4.673 91 HB3 CYS 15 2HB CYS 15 4.347 -5.406 -4.208 92 H GLY 16 H GLY 16 6.115 -4.654 -7.654 93 HA2 GLY 16 1HA GLY 16 6.569 -7.475 -8.335 94 HA3 GLY 16 2HA GLY 16 7.273 -6.093 -9.161 95 H GLU 17 H GLU 17 8.054 -4.770 -6.671 96 HA GLU 17 HA GLU 17 10.646 -5.826 -6.417 97 HB2 GLU 17 1HB GLU 17 9.682 -3.451 -5.865 98 HB3 GLU 17 2HB GLU 17 9.432 -4.135 -4.265 99 HG2 GLU 17 1HG GLU 17 11.519 -2.987 -4.276 100 HG3 GLU 17 2HG GLU 17 11.839 -4.718 -4.193 101 H CYS 18 H CYS 18 8.222 -5.594 -3.811 102 HA CYS 18 HA CYS 18 9.480 -7.857 -2.474 103 HB2 CYS 18 1HB CYS 18 8.038 -7.272 -0.576 104 HB3 CYS 18 2HB CYS 18 8.943 -5.872 -1.140 105 H GLY 19 H GLY 19 6.321 -6.919 -3.786 106 HA2 GLY 19 1HA GLY 19 5.140 -8.691 -5.039 107 HA3 GLY 19 2HA GLY 19 5.573 -9.778 -3.728 108 H LYS 20 H LYS 20 4.699 -6.609 -2.789 109 HA LYS 20 HA LYS 20 2.544 -7.471 -1.207 110 HB2 LYS 20 1HB LYS 20 3.704 -4.858 -1.992 111 HB3 LYS 20 2HB LYS 20 2.045 -4.833 -1.409 112 HG2 LYS 20 1HG LYS 20 3.086 -6.307 0.524 113 HG3 LYS 20 2HG LYS 20 4.558 -5.467 0.032 114 HD2 LYS 20 1HD LYS 20 3.700 -3.378 0.592 115 HD3 LYS 20 2HD LYS 20 2.028 -3.942 0.533 116 HE2 LYS 20 1HE LYS 20 2.581 -3.634 2.824 117 HE3 LYS 20 2HE LYS 20 2.545 -5.372 2.531 118 HZ1 LYS 20 3HZ LYS 20 5.054 -3.803 2.444 119 HZ2 LYS 20 1HZ LYS 20 4.875 -5.482 2.552 120 HZ3 LYS 20 2HZ LYS 20 4.473 -4.502 3.870 121 H ALA 21 H ALA 21 0.393 -5.973 -1.472 122 HA ALA 21 HA ALA 21 -0.544 -5.999 -4.225 123 HB1 ALA 21 3HB ALA 21 -1.790 -7.721 -2.088 124 HB2 ALA 21 1HB ALA 21 -2.533 -7.367 -3.648 125 HB3 ALA 21 2HB ALA 21 -1.015 -8.263 -3.577 126 H PHE 22 H PHE 22 -2.660 -4.980 -4.468 127 HA PHE 22 HA PHE 22 -3.809 -3.584 -2.235 128 HB2 PHE 22 1HB PHE 22 -2.509 -1.940 -4.415 129 HB3 PHE 22 2HB PHE 22 -3.384 -1.328 -3.015 130 HD1 PHE 22 1HD PHE 22 -0.337 -3.134 -4.069 131 HD2 PHE 22 2HD PHE 22 -2.304 -1.002 -0.954 132 HE1 PHE 22 1HE PHE 22 1.767 -3.060 -2.795 133 HE2 PHE 22 2HE PHE 22 -0.203 -0.923 0.324 134 HZ PHE 22 HZ PHE 22 1.837 -1.953 -0.596 135 H ALA 23 H ALA 23 -5.892 -2.993 -2.620 136 HA ALA 23 HA ALA 23 -7.254 -4.112 -4.800 137 HB1 ALA 23 3HB ALA 23 -9.052 -2.329 -3.929 138 HB2 ALA 23 1HB ALA 23 -8.707 -3.841 -3.088 139 HB3 ALA 23 2HB ALA 23 -7.959 -2.339 -2.545 140 H GLN 24 H GLN 24 -6.023 -0.862 -4.237 141 HA GLN 24 HA GLN 24 -6.797 -0.165 -6.994 142 HB2 GLN 24 1HB GLN 24 -6.749 1.508 -4.497 143 HB3 GLN 24 2HB GLN 24 -6.647 2.251 -6.088 144 HG2 GLN 24 1HG GLN 24 -8.891 2.357 -5.735 145 HG3 GLN 24 2HG GLN 24 -8.781 0.798 -6.551 146 HE21 GLN 24 1HE2 GLN 24 -10.668 0.040 -5.619 147 HE22 GLN 24 2HE2 GLN 24 -10.767 -0.399 -3.952 148 H LYS 25 H LYS 25 -5.361 1.385 -8.069 149 HA LYS 25 HA LYS 25 -2.637 0.593 -7.817 150 HB2 LYS 25 1HB LYS 25 -4.184 2.426 -9.579 151 HB3 LYS 25 2HB LYS 25 -2.446 2.673 -9.483 152 HG2 LYS 25 1HG LYS 25 -3.715 0.029 -10.147 153 HG3 LYS 25 2HG LYS 25 -3.211 1.210 -11.357 154 HD2 LYS 25 1HD LYS 25 -1.469 -0.227 -9.360 155 HD3 LYS 25 2HD LYS 25 -1.458 -0.403 -11.116 156 HE2 LYS 25 1HE LYS 25 -0.957 2.165 -11.068 157 HE3 LYS 25 2HE LYS 25 -0.428 1.829 -9.420 158 HZ1 LYS 25 3HZ LYS 25 0.604 0.509 -11.873 159 HZ2 LYS 25 1HZ LYS 25 1.105 0.174 -10.292 160 HZ3 LYS 25 2HZ LYS 25 1.410 1.692 -10.972 161 H ALA 26 H ALA 26 -4.292 3.708 -7.311 162 HA ALA 26 HA ALA 26 -2.253 5.321 -6.547 163 HB1 ALA 26 3HB ALA 26 -3.802 6.630 -5.336 164 HB2 ALA 26 1HB ALA 26 -4.720 5.869 -6.636 165 HB3 ALA 26 2HB ALA 26 -4.826 5.236 -4.993 166 H ASN 27 H ASN 27 -3.616 2.674 -4.707 167 HA ASN 27 HA ASN 27 -2.246 3.342 -2.271 168 HB2 ASN 27 1HB ASN 27 -4.416 2.030 -2.438 169 HB3 ASN 27 2HB ASN 27 -3.448 0.668 -2.995 170 HD21 ASN 27 1HD2 ASN 27 -5.006 0.545 -0.720 171 HD22 ASN 27 2HD2 ASN 27 -3.979 0.412 0.663 172 H LEU 28 H LEU 28 -1.652 1.292 -5.047 173 HA LEU 28 HA LEU 28 0.605 -0.042 -3.860 174 HB2 LEU 28 1HB LEU 28 -0.426 -1.363 -5.442 175 HB3 LEU 28 2HB LEU 28 -0.694 -0.015 -6.544 176 HG LEU 28 HG LEU 28 1.786 -0.030 -6.990 177 HD11 LEU 28 1HD1 LEU 28 2.245 -1.372 -4.868 178 HD12 LEU 28 2HD1 LEU 28 3.126 -1.828 -6.326 179 HD13 LEU 28 3HD1 LEU 28 1.740 -2.783 -5.798 180 HD21 LEU 28 3HD2 LEU 28 0.371 -0.929 -8.652 181 HD22 LEU 28 1HD2 LEU 28 0.044 -2.377 -7.699 182 HD23 LEU 28 2HD2 LEU 28 1.642 -2.127 -8.402 183 H THR 29 H THR 29 0.205 2.330 -6.490 184 HA THR 29 HA THR 29 2.817 2.794 -7.152 185 HB THR 29 HB THR 29 0.568 4.800 -6.948 186 HG1 THR 29 1HG THR 29 0.097 4.133 -8.921 187 HG21 THR 29 3HG2 THR 29 2.673 6.005 -6.887 188 HG22 THR 29 1HG2 THR 29 1.921 6.202 -8.470 189 HG23 THR 29 2HG2 THR 29 3.270 5.084 -8.268 190 H GLN 30 H GLN 30 1.024 4.196 -4.438 191 HA GLN 30 HA GLN 30 3.123 5.893 -3.563 192 HB2 GLN 30 1HB GLN 30 1.791 6.313 -1.646 193 HB3 GLN 30 2HB GLN 30 0.669 6.105 -2.984 194 HG2 GLN 30 1HG GLN 30 0.025 3.967 -2.250 195 HG3 GLN 30 2HG GLN 30 1.382 3.858 -1.130 196 HE21 GLN 30 1HE2 GLN 30 -0.377 3.290 0.365 197 HE22 GLN 30 2HE2 GLN 30 -1.206 4.568 1.179 198 H HIS 31 H HIS 31 2.370 2.542 -3.058 199 HA HIS 31 HA HIS 31 3.993 2.171 -0.741 200 HB2 HIS 31 1HB HIS 31 2.499 0.446 -0.879 201 HB3 HIS 31 2HB HIS 31 2.527 0.421 -2.640 202 HD1 HIS 31 1HD HIS 31 4.355 -0.906 0.356 203 HD2 HIS 31 2HD HIS 31 4.363 -1.327 -3.777 204 HE1 HIS 31 1HE HIS 31 5.826 -2.891 -0.114 205 H GLN 32 H GLN 32 4.483 1.632 -4.211 206 HA GLN 32 HA GLN 32 6.951 0.409 -4.181 207 HB2 GLN 32 1HB GLN 32 6.197 2.553 -6.163 208 HB3 GLN 32 2HB GLN 32 7.248 1.168 -6.422 209 HG2 GLN 32 1HG GLN 32 5.211 -0.275 -5.985 210 HG3 GLN 32 2HG GLN 32 4.264 1.206 -6.121 211 HE21 GLN 32 1HE2 GLN 32 5.171 -1.413 -7.771 212 HE22 GLN 32 2HE2 GLN 32 5.167 -0.792 -9.383 213 H ARG 33 H ARG 33 6.153 3.735 -3.527 214 HA ARG 33 HA ARG 33 8.578 5.003 -3.904 215 HB2 ARG 33 1HB ARG 33 6.650 5.497 -1.629 216 HB3 ARG 33 2HB ARG 33 7.841 6.631 -2.252 217 HG2 ARG 33 1HG ARG 33 6.528 6.234 -4.506 218 HG3 ARG 33 2HG ARG 33 5.230 5.801 -3.391 219 HD2 ARG 33 1HD ARG 33 4.915 8.081 -3.722 220 HD3 ARG 33 2HD ARG 33 5.805 8.009 -2.202 221 HE ARG 33 HE ARG 33 7.509 9.139 -3.212 222 HH11 ARG 33 2HH1 ARG 33 5.516 7.697 -5.676 223 HH12 ARG 33 1HH1 ARG 33 6.367 8.447 -6.986 224 HH21 ARG 33 2HH2 ARG 33 8.636 10.132 -4.928 225 HH22 ARG 33 1HH2 ARG 33 8.142 9.831 -6.559 226 H ILE 34 H ILE 34 7.696 2.663 -1.531 227 HA ILE 34 HA ILE 34 9.669 3.280 0.416 228 HB ILE 34 HB ILE 34 9.115 1.259 1.473 229 HG12 ILE 34 1HG1 ILE 34 7.966 0.281 -1.151 230 HG13 ILE 34 2HG1 ILE 34 9.520 -0.204 -0.483 231 HG21 ILE 34 1HG2 ILE 34 7.152 2.220 1.911 232 HG22 ILE 34 2HG2 ILE 34 6.980 2.804 0.257 233 HG23 ILE 34 3HG2 ILE 34 6.476 1.166 0.670 234 HD11 ILE 34 3HD1 ILE 34 6.770 -0.863 0.482 235 HD12 ILE 34 1HD1 ILE 34 8.099 -1.948 0.074 236 HD13 ILE 34 2HD1 ILE 34 8.167 -0.985 1.551 237 H HIS 35 H HIS 35 9.628 1.262 -2.460 238 HA HIS 35 HA HIS 35 12.241 0.148 -1.918 239 HB2 HIS 35 1HB HIS 35 10.607 -0.011 -4.458 240 HB3 HIS 35 2HB HIS 35 11.977 -1.028 -4.020 241 HD1 HIS 35 1HD HIS 35 11.435 -2.269 -1.497 242 HD2 HIS 35 2HD HIS 35 8.296 -1.327 -4.051 243 HE1 HIS 35 1HE HIS 35 9.522 -3.737 -0.782 244 H THR 36 H THR 36 10.825 2.520 -4.131 245 HA THR 36 HA THR 36 13.317 3.095 -5.429 246 HB THR 36 HB THR 36 12.091 4.997 -6.457 247 HG1 THR 36 1HG THR 36 9.726 4.054 -5.248 248 HG21 THR 36 3HG2 THR 36 10.082 3.261 -7.190 249 HG22 THR 36 1HG2 THR 36 11.358 2.178 -6.636 250 HG23 THR 36 2HG2 THR 36 11.686 3.345 -7.918 251 H GLY 37 H GLY 37 14.858 4.477 -4.819 252 HA2 GLY 37 1HA GLY 37 15.883 6.276 -3.795 253 HA3 GLY 37 2HA GLY 37 14.294 6.851 -3.310 254 H GLU 38 H GLU 38 16.573 4.212 -2.564 255 HA GLU 38 HA GLU 38 15.653 4.277 0.217 256 HB2 GLU 38 1HB GLU 38 15.701 2.086 -0.879 257 HB3 GLU 38 2HB GLU 38 17.415 2.284 -1.220 258 HG2 GLU 38 1HG GLU 38 17.392 0.910 0.639 259 HG3 GLU 38 2HG GLU 38 17.687 2.508 1.322 260 H LYS 39 H LYS 39 16.830 5.169 1.778 261 HA LYS 39 HA LYS 39 19.556 6.048 1.133 262 HB2 LYS 39 1HB LYS 39 19.308 7.746 2.768 263 HB3 LYS 39 2HB LYS 39 17.797 7.718 1.868 264 HG2 LYS 39 1HG LYS 39 18.001 6.101 4.355 265 HG3 LYS 39 2HG LYS 39 17.825 7.853 4.488 266 HD2 LYS 39 1HD LYS 39 15.873 7.532 2.811 267 HD3 LYS 39 2HD LYS 39 15.939 5.842 3.314 268 HE2 LYS 39 1HE LYS 39 15.459 6.399 5.565 269 HE3 LYS 39 2HE LYS 39 15.737 8.116 5.274 270 HZ1 LYS 39 3HZ LYS 39 13.462 6.461 4.352 271 HZ2 LYS 39 1HZ LYS 39 13.793 7.988 3.703 272 HZ3 LYS 39 2HZ LYS 39 13.421 7.829 5.346 273 HA PRO 40 HA PRO 40 21.382 3.210 3.946 274 HB2 PRO 40 1HB PRO 40 23.568 4.622 4.717 275 HB3 PRO 40 2HB PRO 40 23.411 3.894 3.114 276 HG2 PRO 40 1HG PRO 40 22.950 6.728 3.961 277 HG3 PRO 40 2HG PRO 40 23.776 6.112 2.518 278 HD2 PRO 40 1HD PRO 40 21.228 7.026 2.459 279 HD3 PRO 40 2HD PRO 40 21.799 5.721 1.399 280 H SER 41 H SER 41 19.546 3.494 5.462 281 HA SER 41 HA SER 41 20.305 5.080 7.826 282 HB2 SER 41 1HB SER 41 18.105 5.601 6.589 283 HB3 SER 41 2HB SER 41 17.517 4.082 7.265 284 HG SER 41 HG SER 41 17.074 5.252 8.951 285 H GLY 42 H GLY 42 21.502 3.604 8.956 286 HA2 GLY 42 1HA GLY 42 20.242 1.786 10.623 287 HA3 GLY 42 2HA GLY 42 20.790 0.864 9.231 288 HA PRO 43 HA PRO 43 24.229 1.801 12.452 289 HB2 PRO 43 1HB PRO 43 24.063 -0.417 14.009 290 HB3 PRO 43 2HB PRO 43 23.204 1.083 14.379 291 HG2 PRO 43 1HG PRO 43 22.188 -1.408 13.065 292 HG3 PRO 43 2HG PRO 43 21.415 -0.401 14.304 293 HD2 PRO 43 1HD PRO 43 20.761 -0.242 11.681 294 HD3 PRO 43 2HD PRO 43 20.699 1.161 12.768 295 H SER 44 H SER 44 26.263 0.889 12.273 296 HA SER 44 HA SER 44 26.554 -1.092 10.170 297 HB2 SER 44 1HB SER 44 28.608 0.541 11.679 298 HB3 SER 44 2HB SER 44 28.980 -0.555 10.349 299 HG SER 44 HG SER 44 27.616 1.900 10.311 300 H SER 45 H SER 45 27.709 -0.667 13.513 301 HA SER 45 HA SER 45 28.785 -3.292 13.704 302 HB2 SER 45 1HB SER 45 28.890 -2.788 16.159 303 HB3 SER 45 2HB SER 45 29.650 -1.561 15.145 304 HG SER 45 HG SER 45 26.969 -1.356 16.024 305 H GLY 46 H GLY 46 27.970 -5.129 14.677 306 HA2 GLY 46 1HA GLY 46 25.864 -5.603 16.256 307 HA3 GLY 46 2HA GLY 46 25.068 -5.302 14.718 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.849 -6.415 16.269 2 HA2 GLY 1 1HA GLY 1 -0.019 -7.486 17.068 3 HA3 GLY 1 2HA GLY 1 -0.900 -5.995 16.771 4 H SER 2 H SER 2 -2.657 -7.479 16.204 5 HA SER 2 HA SER 2 -2.439 -9.120 13.875 6 HB2 SER 2 1HB SER 2 -4.064 -9.628 15.644 7 HB3 SER 2 2HB SER 2 -4.899 -8.108 15.323 8 HG SER 2 HG SER 2 -6.019 -9.353 14.029 9 H SER 3 H SER 3 -2.631 -8.565 11.808 10 HA SER 3 HA SER 3 -4.331 -6.461 10.900 11 HB2 SER 3 1HB SER 3 -2.653 -4.946 10.033 12 HB3 SER 3 2HB SER 3 -2.381 -5.156 11.763 13 HG SER 3 HG SER 3 -0.966 -7.020 10.662 14 H GLY 4 H GLY 4 -5.182 -7.542 9.240 15 HA2 GLY 4 1HA GLY 4 -3.589 -8.169 6.955 16 HA3 GLY 4 2HA GLY 4 -4.081 -9.624 7.809 17 H SER 5 H SER 5 -5.617 -10.522 6.585 18 HA SER 5 HA SER 5 -7.345 -9.236 4.842 19 HB2 SER 5 1HB SER 5 -8.623 -11.291 4.793 20 HB3 SER 5 2HB SER 5 -6.911 -11.697 4.910 21 HG SER 5 HG SER 5 -7.569 -12.854 6.544 22 H SER 6 H SER 6 -8.930 -7.843 5.185 23 HA SER 6 HA SER 6 -10.781 -8.235 7.390 24 HB2 SER 6 1HB SER 6 -9.160 -5.695 7.088 25 HB3 SER 6 2HB SER 6 -10.551 -5.877 8.158 26 HG SER 6 HG SER 6 -8.266 -7.547 8.290 27 H GLY 7 H GLY 7 -12.630 -8.312 6.281 28 HA2 GLY 7 1HA GLY 7 -14.394 -6.865 5.380 29 HA3 GLY 7 2HA GLY 7 -13.163 -6.126 4.366 30 H THR 8 H THR 8 -13.695 -6.603 2.333 31 HA THR 8 HA THR 8 -13.685 -9.374 1.507 32 HB THR 8 HB THR 8 -16.043 -9.116 2.046 33 HG1 THR 8 1HG THR 8 -16.782 -9.253 -0.337 34 HG21 THR 8 3HG2 THR 8 -17.412 -7.475 0.734 35 HG22 THR 8 1HG2 THR 8 -15.904 -6.725 0.211 36 HG23 THR 8 2HG2 THR 8 -16.334 -6.743 1.922 37 H GLY 9 H GLY 9 -12.950 -9.625 -0.548 38 HA2 GLY 9 1HA GLY 9 -12.954 -8.680 -2.856 39 HA3 GLY 9 2HA GLY 9 -12.542 -7.145 -2.106 40 H GLU 10 H GLU 10 -11.156 -8.929 -4.112 41 HA GLU 10 HA GLU 10 -8.661 -9.449 -2.658 42 HB2 GLU 10 1HB GLU 10 -9.852 -10.501 -5.186 43 HB3 GLU 10 2HB GLU 10 -8.101 -10.482 -5.028 44 HG2 GLU 10 1HG GLU 10 -8.818 -12.617 -4.341 45 HG3 GLU 10 2HG GLU 10 -8.382 -11.740 -2.876 46 H LYS 11 H LYS 11 -6.635 -9.021 -4.014 47 HA LYS 11 HA LYS 11 -6.893 -6.382 -5.302 48 HB2 LYS 11 1HB LYS 11 -4.502 -7.423 -3.776 49 HB3 LYS 11 2HB LYS 11 -4.710 -5.805 -4.434 50 HG2 LYS 11 1HG LYS 11 -6.185 -5.176 -2.788 51 HG3 LYS 11 2HG LYS 11 -6.676 -6.836 -2.445 52 HD2 LYS 11 1HD LYS 11 -4.623 -7.287 -1.314 53 HD3 LYS 11 2HD LYS 11 -3.928 -5.755 -1.846 54 HE2 LYS 11 1HE LYS 11 -6.054 -4.793 -0.582 55 HE3 LYS 11 2HE LYS 11 -5.905 -6.311 0.301 56 HZ1 LYS 11 3HZ LYS 11 -4.620 -4.132 1.017 57 HZ2 LYS 11 1HZ LYS 11 -3.473 -4.744 -0.065 58 HZ3 LYS 11 2HZ LYS 11 -3.970 -5.676 1.255 59 HA PRO 12 HA PRO 12 -5.346 -8.767 -8.779 60 HB2 PRO 12 1HB PRO 12 -5.703 -6.783 -10.597 61 HB3 PRO 12 2HB PRO 12 -7.024 -7.806 -10.020 62 HG2 PRO 12 1HG PRO 12 -6.254 -5.043 -9.162 63 HG3 PRO 12 2HG PRO 12 -7.867 -5.709 -9.475 64 HD2 PRO 12 1HD PRO 12 -6.871 -5.419 -6.974 65 HD3 PRO 12 2HD PRO 12 -7.984 -6.731 -7.412 66 H TYR 13 H TYR 13 -4.386 -5.487 -7.884 67 HA TYR 13 HA TYR 13 -1.948 -5.604 -9.424 68 HB2 TYR 13 1HB TYR 13 -2.640 -3.574 -7.303 69 HB3 TYR 13 2HB TYR 13 -1.535 -3.388 -8.661 70 HD1 TYR 13 2HD TYR 13 -5.047 -3.413 -7.620 71 HD2 TYR 13 1HD TYR 13 -2.372 -2.939 -10.895 72 HE1 TYR 13 2HE TYR 13 -6.870 -2.452 -8.963 73 HE2 TYR 13 1HE TYR 13 -4.187 -1.976 -12.246 74 HH TYR 13 HH TYR 13 -7.154 -0.994 -10.904 75 H ARG 14 H ARG 14 -0.083 -6.437 -8.771 76 HA ARG 14 HA ARG 14 0.427 -6.683 -5.884 77 HB2 ARG 14 1HB ARG 14 -0.239 -8.842 -7.268 78 HB3 ARG 14 2HB ARG 14 1.454 -8.782 -7.739 79 HG2 ARG 14 1HG ARG 14 2.133 -8.887 -5.414 80 HG3 ARG 14 2HG ARG 14 0.443 -8.870 -4.904 81 HD2 ARG 14 1HD ARG 14 1.185 -11.131 -4.831 82 HD3 ARG 14 2HD ARG 14 0.117 -10.972 -6.225 83 HE ARG 14 HE ARG 14 2.962 -11.506 -6.254 84 HH11 ARG 14 2HH1 ARG 14 0.156 -10.519 -8.063 85 HH12 ARG 14 1HH1 ARG 14 0.839 -10.937 -9.600 86 HH21 ARG 14 2HH2 ARG 14 3.872 -12.060 -8.271 87 HH22 ARG 14 1HH2 ARG 14 2.952 -11.814 -9.717 88 H CYS 15 H CYS 15 2.203 -5.622 -5.336 89 HA CYS 15 HA CYS 15 3.922 -4.292 -6.995 90 HB2 CYS 15 1HB CYS 15 4.000 -3.760 -4.694 91 HB3 CYS 15 2HB CYS 15 4.344 -5.425 -4.237 92 H GLY 16 H GLY 16 6.055 -4.658 -7.749 93 HA2 GLY 16 1HA GLY 16 6.546 -7.478 -8.394 94 HA3 GLY 16 2HA GLY 16 7.222 -6.095 -9.241 95 H GLU 17 H GLU 17 7.991 -4.758 -6.734 96 HA GLU 17 HA GLU 17 10.612 -5.756 -6.518 97 HB2 GLU 17 1HB GLU 17 9.540 -3.410 -5.911 98 HB3 GLU 17 2HB GLU 17 9.440 -4.128 -4.309 99 HG2 GLU 17 1HG GLU 17 11.461 -2.884 -4.437 100 HG3 GLU 17 2HG GLU 17 11.877 -4.597 -4.434 101 H CYS 18 H CYS 18 8.189 -5.608 -3.904 102 HA CYS 18 HA CYS 18 9.513 -7.857 -2.598 103 HB2 CYS 18 1HB CYS 18 8.096 -7.305 -0.668 104 HB3 CYS 18 2HB CYS 18 8.985 -5.894 -1.232 105 H GLY 19 H GLY 19 6.314 -6.937 -3.826 106 HA2 GLY 19 1HA GLY 19 5.143 -8.727 -5.081 107 HA3 GLY 19 2HA GLY 19 5.587 -9.802 -3.763 108 H LYS 20 H LYS 20 4.714 -6.635 -2.829 109 HA LYS 20 HA LYS 20 2.568 -7.493 -1.235 110 HB2 LYS 20 1HB LYS 20 3.716 -4.879 -2.041 111 HB3 LYS 20 2HB LYS 20 2.062 -4.857 -1.444 112 HG2 LYS 20 1HG LYS 20 3.133 -6.326 0.483 113 HG3 LYS 20 2HG LYS 20 4.590 -5.466 -0.022 114 HD2 LYS 20 1HD LYS 20 3.793 -4.000 1.542 115 HD3 LYS 20 2HD LYS 20 2.976 -3.378 0.107 116 HE2 LYS 20 1HE LYS 20 0.983 -4.683 0.689 117 HE3 LYS 20 2HE LYS 20 1.803 -5.287 2.128 118 HZ1 LYS 20 3HZ LYS 20 1.349 -3.425 3.232 119 HZ2 LYS 20 1HZ LYS 20 0.261 -3.052 1.992 120 HZ3 LYS 20 2HZ LYS 20 1.832 -2.428 1.954 121 H ALA 21 H ALA 21 0.427 -5.952 -1.511 122 HA ALA 21 HA ALA 21 -0.529 -6.021 -4.254 123 HB1 ALA 21 3HB ALA 21 -2.510 -7.378 -3.673 124 HB2 ALA 21 1HB ALA 21 -0.998 -8.278 -3.546 125 HB3 ALA 21 2HB ALA 21 -1.800 -7.690 -2.089 126 H PHE 22 H PHE 22 -2.628 -4.981 -4.507 127 HA PHE 22 HA PHE 22 -3.763 -3.551 -2.286 128 HB2 PHE 22 1HB PHE 22 -2.416 -1.966 -4.483 129 HB3 PHE 22 2HB PHE 22 -3.337 -1.303 -3.137 130 HD1 PHE 22 1HD PHE 22 -0.244 -3.089 -4.054 131 HD2 PHE 22 2HD PHE 22 -2.350 -0.977 -1.017 132 HE1 PHE 22 1HE PHE 22 1.813 -2.979 -2.709 133 HE2 PHE 22 2HE PHE 22 -0.296 -0.863 0.333 134 HZ PHE 22 HZ PHE 22 1.790 -1.864 -0.513 135 H ALA 23 H ALA 23 -5.833 -2.890 -2.685 136 HA ALA 23 HA ALA 23 -7.196 -4.031 -4.876 137 HB1 ALA 23 3HB ALA 23 -8.698 -3.803 -3.220 138 HB2 ALA 23 1HB ALA 23 -7.898 -2.382 -2.549 139 HB3 ALA 23 2HB ALA 23 -8.973 -2.216 -3.937 140 H GLN 24 H GLN 24 -6.042 -0.761 -4.227 141 HA GLN 24 HA GLN 24 -6.787 -0.030 -6.982 142 HB2 GLN 24 1HB GLN 24 -6.841 1.582 -4.448 143 HB3 GLN 24 2HB GLN 24 -6.707 2.372 -6.013 144 HG2 GLN 24 1HG GLN 24 -8.957 2.419 -5.775 145 HG3 GLN 24 2HG GLN 24 -8.794 0.848 -6.558 146 HE21 GLN 24 1HE2 GLN 24 -10.438 -0.267 -5.714 147 HE22 GLN 24 2HE2 GLN 24 -10.685 -0.546 -4.028 148 H LYS 25 H LYS 25 -5.298 1.088 -8.219 149 HA LYS 25 HA LYS 25 -2.597 0.525 -7.833 150 HB2 LYS 25 1HB LYS 25 -4.144 2.299 -9.650 151 HB3 LYS 25 2HB LYS 25 -2.414 2.589 -9.525 152 HG2 LYS 25 1HG LYS 25 -3.644 -0.072 -10.207 153 HG3 LYS 25 2HG LYS 25 -3.053 1.094 -11.393 154 HD2 LYS 25 1HD LYS 25 -1.424 -0.264 -9.247 155 HD3 LYS 25 2HD LYS 25 -1.372 -0.607 -10.978 156 HE2 LYS 25 1HE LYS 25 -0.528 1.923 -9.576 157 HE3 LYS 25 2HE LYS 25 0.500 0.780 -10.438 158 HZ1 LYS 25 3HZ LYS 25 -0.009 2.807 -11.720 159 HZ2 LYS 25 1HZ LYS 25 -1.648 2.385 -11.712 160 HZ3 LYS 25 2HZ LYS 25 -0.523 1.394 -12.497 161 H ALA 26 H ALA 26 -4.273 3.648 -7.443 162 HA ALA 26 HA ALA 26 -2.280 5.293 -6.664 163 HB1 ALA 26 3HB ALA 26 -4.642 5.953 -6.804 164 HB2 ALA 26 1HB ALA 26 -4.956 5.115 -5.284 165 HB3 ALA 26 2HB ALA 26 -3.884 6.516 -5.314 166 H ASN 27 H ASN 27 -3.667 2.692 -4.759 167 HA ASN 27 HA ASN 27 -2.305 3.410 -2.339 168 HB2 ASN 27 1HB ASN 27 -4.456 2.099 -2.447 169 HB3 ASN 27 2HB ASN 27 -3.519 0.733 -3.044 170 HD21 ASN 27 1HD2 ASN 27 -4.832 0.163 -0.899 171 HD22 ASN 27 2HD2 ASN 27 -3.848 0.170 0.521 172 H LEU 28 H LEU 28 -1.703 1.248 -5.039 173 HA LEU 28 HA LEU 28 0.562 -0.024 -3.814 174 HB2 LEU 28 1HB LEU 28 -0.451 -1.387 -5.372 175 HB3 LEU 28 2HB LEU 28 -0.717 -0.067 -6.508 176 HG LEU 28 HG LEU 28 1.768 -0.081 -6.932 177 HD11 LEU 28 1HD1 LEU 28 3.123 -1.808 -6.184 178 HD12 LEU 28 2HD1 LEU 28 1.754 -2.825 -5.738 179 HD13 LEU 28 3HD1 LEU 28 2.159 -1.416 -4.760 180 HD21 LEU 28 3HD2 LEU 28 0.412 -1.012 -8.604 181 HD22 LEU 28 1HD2 LEU 28 0.006 -2.415 -7.615 182 HD23 LEU 28 2HD2 LEU 28 1.632 -2.243 -8.277 183 H THR 29 H THR 29 0.186 2.253 -6.533 184 HA THR 29 HA THR 29 2.781 2.724 -7.198 185 HB THR 29 HB THR 29 0.548 4.749 -6.986 186 HG1 THR 29 1HG THR 29 1.644 3.425 -9.259 187 HG21 THR 29 3HG2 THR 29 2.438 6.112 -7.047 188 HG22 THR 29 1HG2 THR 29 2.017 5.943 -8.750 189 HG23 THR 29 2HG2 THR 29 3.335 4.990 -8.069 190 H GLN 30 H GLN 30 1.029 4.121 -4.459 191 HA GLN 30 HA GLN 30 3.143 5.828 -3.625 192 HB2 GLN 30 1HB GLN 30 1.833 6.269 -1.699 193 HB3 GLN 30 2HB GLN 30 0.695 6.055 -3.023 194 HG2 GLN 30 1HG GLN 30 -0.115 4.088 -2.199 195 HG3 GLN 30 2HG GLN 30 1.385 3.693 -1.361 196 HE21 GLN 30 1HE2 GLN 30 -1.611 4.075 -0.660 197 HE22 GLN 30 2HE2 GLN 30 -1.546 4.985 0.806 198 H HIS 31 H HIS 31 2.329 2.493 -3.027 199 HA HIS 31 HA HIS 31 3.975 2.121 -0.743 200 HB2 HIS 31 1HB HIS 31 2.481 0.396 -0.885 201 HB3 HIS 31 2HB HIS 31 2.517 0.366 -2.645 202 HD1 HIS 31 1HD HIS 31 4.163 -1.082 0.364 203 HD2 HIS 31 2HD HIS 31 4.530 -1.252 -3.771 204 HE1 HIS 31 1HE HIS 31 5.681 -3.033 -0.097 205 H GLN 32 H GLN 32 4.484 1.658 -4.213 206 HA GLN 32 HA GLN 32 6.968 0.424 -4.151 207 HB2 GLN 32 1HB GLN 32 6.142 2.494 -6.185 208 HB3 GLN 32 2HB GLN 32 7.259 1.155 -6.413 209 HG2 GLN 32 1HG GLN 32 5.212 -0.324 -5.842 210 HG3 GLN 32 2HG GLN 32 4.280 1.120 -6.236 211 HE21 GLN 32 1HE2 GLN 32 3.567 -0.668 -7.825 212 HE22 GLN 32 2HE2 GLN 32 4.360 -0.647 -9.359 213 H ARG 33 H ARG 33 6.110 3.625 -3.288 214 HA ARG 33 HA ARG 33 8.533 4.965 -3.788 215 HB2 ARG 33 1HB ARG 33 6.631 5.543 -1.516 216 HB3 ARG 33 2HB ARG 33 7.730 6.667 -2.305 217 HG2 ARG 33 1HG ARG 33 5.390 5.341 -3.657 218 HG3 ARG 33 2HG ARG 33 5.361 6.960 -2.954 219 HD2 ARG 33 1HD ARG 33 7.370 6.155 -5.038 220 HD3 ARG 33 2HD ARG 33 5.776 6.778 -5.465 221 HE ARG 33 HE ARG 33 7.265 8.438 -3.634 222 HH11 ARG 33 2HH1 ARG 33 6.557 7.716 -6.966 223 HH12 ARG 33 1HH1 ARG 33 7.011 9.287 -7.538 224 HH21 ARG 33 2HH2 ARG 33 7.866 10.510 -4.376 225 HH22 ARG 33 1HH2 ARG 33 7.757 10.875 -6.064 226 H ILE 34 H ILE 34 7.703 2.583 -1.488 227 HA ILE 34 HA ILE 34 9.576 3.299 0.543 228 HB ILE 34 HB ILE 34 9.047 1.271 1.601 229 HG12 ILE 34 1HG1 ILE 34 7.986 0.242 -1.039 230 HG13 ILE 34 2HG1 ILE 34 9.543 -0.189 -0.341 231 HG21 ILE 34 1HG2 ILE 34 6.435 1.098 0.740 232 HG22 ILE 34 2HG2 ILE 34 7.051 2.194 1.976 233 HG23 ILE 34 3HG2 ILE 34 6.900 2.742 0.307 234 HD11 ILE 34 3HD1 ILE 34 8.269 -1.068 1.646 235 HD12 ILE 34 1HD1 ILE 34 6.806 -0.869 0.681 236 HD13 ILE 34 2HD1 ILE 34 8.078 -1.965 0.140 237 H HIS 35 H HIS 35 9.674 1.275 -2.324 238 HA HIS 35 HA HIS 35 12.259 0.166 -1.706 239 HB2 HIS 35 1HB HIS 35 10.766 0.144 -4.335 240 HB3 HIS 35 2HB HIS 35 12.121 -0.889 -3.889 241 HD1 HIS 35 1HD HIS 35 11.469 -2.272 -1.469 242 HD2 HIS 35 2HD HIS 35 8.448 -1.204 -4.114 243 HE1 HIS 35 1HE HIS 35 9.536 -3.787 -0.929 244 H THR 36 H THR 36 11.020 2.483 -4.109 245 HA THR 36 HA THR 36 13.195 3.171 -5.522 246 HB THR 36 HB THR 36 12.358 5.422 -5.747 247 HG1 THR 36 1HG THR 36 10.487 5.946 -4.276 248 HG21 THR 36 3HG2 THR 36 10.870 3.157 -6.241 249 HG22 THR 36 1HG2 THR 36 10.519 4.773 -6.854 250 HG23 THR 36 2HG2 THR 36 9.735 4.198 -5.383 251 H GLY 37 H GLY 37 15.241 3.373 -4.874 252 HA2 GLY 37 1HA GLY 37 16.902 4.874 -3.971 253 HA3 GLY 37 2HA GLY 37 15.795 5.231 -2.654 254 H GLU 38 H GLU 38 15.293 3.399 -1.173 255 HA GLU 38 HA GLU 38 17.255 1.268 -1.073 256 HB2 GLU 38 1HB GLU 38 17.089 3.376 1.087 257 HB3 GLU 38 2HB GLU 38 17.938 1.846 1.257 258 HG2 GLU 38 1HG GLU 38 19.212 2.606 -0.868 259 HG3 GLU 38 2HG GLU 38 18.623 4.209 -0.432 260 H LYS 39 H LYS 39 16.200 -0.510 -0.525 261 HA LYS 39 HA LYS 39 13.719 -0.262 1.030 262 HB2 LYS 39 1HB LYS 39 13.037 -2.362 0.073 263 HB3 LYS 39 2HB LYS 39 13.580 -1.309 -1.227 264 HG2 LYS 39 1HG LYS 39 14.625 -3.224 -1.846 265 HG3 LYS 39 2HG LYS 39 15.872 -2.557 -0.790 266 HD2 LYS 39 1HD LYS 39 15.033 -3.921 1.061 267 HD3 LYS 39 2HD LYS 39 13.779 -4.582 0.008 268 HE2 LYS 39 1HE LYS 39 16.659 -4.794 -0.768 269 HE3 LYS 39 2HE LYS 39 15.978 -5.918 0.406 270 HZ1 LYS 39 3HZ LYS 39 15.891 -6.217 -2.281 271 HZ2 LYS 39 1HZ LYS 39 14.355 -5.595 -1.943 272 HZ3 LYS 39 2HZ LYS 39 14.881 -7.010 -1.180 273 HA PRO 40 HA PRO 40 15.563 -2.238 4.503 274 HB2 PRO 40 1HB PRO 40 13.335 -3.276 5.655 275 HB3 PRO 40 2HB PRO 40 13.718 -1.551 5.687 276 HG2 PRO 40 1HG PRO 40 11.845 -3.042 3.890 277 HG3 PRO 40 2HG PRO 40 11.615 -1.481 4.698 278 HD2 PRO 40 1HD PRO 40 12.300 -1.683 2.086 279 HD3 PRO 40 2HD PRO 40 12.837 -0.338 3.113 280 H SER 41 H SER 41 16.791 -3.889 3.574 281 HA SER 41 HA SER 41 15.807 -6.231 2.415 282 HB2 SER 41 1HB SER 41 18.077 -7.181 2.977 283 HB3 SER 41 2HB SER 41 18.114 -5.649 2.105 284 HG SER 41 HG SER 41 19.542 -5.490 3.797 285 H GLY 42 H GLY 42 17.157 -5.862 5.703 286 HA2 GLY 42 1HA GLY 42 16.653 -6.942 7.666 287 HA3 GLY 42 2HA GLY 42 15.084 -7.307 6.964 288 HA PRO 43 HA PRO 43 17.201 -11.342 7.586 289 HB2 PRO 43 1HB PRO 43 14.948 -12.649 8.349 290 HB3 PRO 43 2HB PRO 43 15.949 -11.725 9.474 291 HG2 PRO 43 1HG PRO 43 13.407 -10.929 8.109 292 HG3 PRO 43 2HG PRO 43 13.903 -10.668 9.791 293 HD2 PRO 43 1HD PRO 43 14.060 -8.729 7.908 294 HD3 PRO 43 2HD PRO 43 15.211 -8.847 9.255 295 H SER 44 H SER 44 14.175 -10.519 5.962 296 HA SER 44 HA SER 44 13.074 -11.492 4.197 297 HB2 SER 44 1HB SER 44 15.953 -11.429 3.278 298 HB3 SER 44 2HB SER 44 14.606 -11.808 2.204 299 HG SER 44 HG SER 44 13.764 -9.763 2.595 300 H SER 45 H SER 45 13.424 -13.376 6.162 301 HA SER 45 HA SER 45 13.673 -15.615 6.603 302 HB2 SER 45 1HB SER 45 12.476 -17.043 5.000 303 HB3 SER 45 2HB SER 45 11.594 -15.543 5.289 304 HG SER 45 HG SER 45 11.640 -15.373 3.196 305 H GLY 46 H GLY 46 16.097 -14.536 5.772 306 HA2 GLY 46 1HA GLY 46 17.196 -16.650 4.028 307 HA3 GLY 46 2HA GLY 46 17.886 -15.043 4.192 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.815 -16.038 -10.675 2 HA2 GLY 1 1HA GLY 1 -7.166 -16.504 -11.893 3 HA3 GLY 1 2HA GLY 1 -7.317 -15.835 -10.275 4 H SER 2 H SER 2 -8.207 -17.170 -8.600 5 HA SER 2 HA SER 2 -8.120 -20.051 -9.204 6 HB2 SER 2 1HB SER 2 -6.965 -20.445 -7.079 7 HB3 SER 2 2HB SER 2 -6.021 -19.362 -8.103 8 HG SER 2 HG SER 2 -6.392 -17.740 -6.763 9 H SER 3 H SER 3 -9.039 -21.334 -7.274 10 HA SER 3 HA SER 3 -11.565 -20.045 -6.506 11 HB2 SER 3 1HB SER 3 -11.716 -22.131 -7.851 12 HB3 SER 3 2HB SER 3 -10.883 -22.995 -6.559 13 HG SER 3 HG SER 3 -12.639 -22.925 -5.355 14 H GLY 4 H GLY 4 -12.009 -19.622 -4.436 15 HA2 GLY 4 1HA GLY 4 -11.359 -21.122 -2.210 16 HA3 GLY 4 2HA GLY 4 -10.019 -20.006 -2.431 17 H SER 5 H SER 5 -12.407 -20.352 -0.476 18 HA SER 5 HA SER 5 -13.658 -17.734 -0.716 19 HB2 SER 5 1HB SER 5 -15.079 -18.452 1.134 20 HB3 SER 5 2HB SER 5 -15.033 -19.704 -0.107 21 HG SER 5 HG SER 5 -13.559 -19.657 2.319 22 H SER 6 H SER 6 -10.929 -17.565 -0.289 23 HA SER 6 HA SER 6 -10.413 -17.155 2.521 24 HB2 SER 6 1HB SER 6 -8.737 -17.899 0.664 25 HB3 SER 6 2HB SER 6 -8.612 -16.172 0.327 26 HG SER 6 HG SER 6 -8.035 -15.886 2.540 27 H GLY 7 H GLY 7 -12.576 -15.620 1.695 28 HA2 GLY 7 1HA GLY 7 -13.133 -13.444 2.499 29 HA3 GLY 7 2HA GLY 7 -11.491 -12.927 2.144 30 H THR 8 H THR 8 -13.517 -11.335 1.345 31 HA THR 8 HA THR 8 -13.720 -11.832 -1.553 32 HB THR 8 HB THR 8 -15.670 -10.207 -1.457 33 HG1 THR 8 1HG THR 8 -14.936 -9.697 0.884 34 HG21 THR 8 3HG2 THR 8 -17.231 -11.906 -0.979 35 HG22 THR 8 1HG2 THR 8 -16.155 -12.684 0.181 36 HG23 THR 8 2HG2 THR 8 -15.794 -12.758 -1.544 37 H GLY 9 H GLY 9 -13.655 -9.932 -2.943 38 HA2 GLY 9 1HA GLY 9 -12.841 -7.882 -3.618 39 HA3 GLY 9 2HA GLY 9 -12.759 -7.414 -1.926 40 H GLU 10 H GLU 10 -11.119 -9.682 -4.140 41 HA GLU 10 HA GLU 10 -8.662 -9.533 -2.685 42 HB2 GLU 10 1HB GLU 10 -9.499 -10.770 -5.288 43 HB3 GLU 10 2HB GLU 10 -7.799 -10.688 -4.851 44 HG2 GLU 10 1HG GLU 10 -8.020 -12.184 -3.135 45 HG3 GLU 10 2HG GLU 10 -9.725 -11.811 -2.885 46 H LYS 11 H LYS 11 -6.585 -9.044 -3.992 47 HA LYS 11 HA LYS 11 -6.962 -6.450 -5.338 48 HB2 LYS 11 1HB LYS 11 -4.543 -7.396 -3.790 49 HB3 LYS 11 2HB LYS 11 -4.773 -5.802 -4.497 50 HG2 LYS 11 1HG LYS 11 -6.290 -5.158 -2.888 51 HG3 LYS 11 2HG LYS 11 -6.728 -6.820 -2.486 52 HD2 LYS 11 1HD LYS 11 -4.792 -7.149 -1.222 53 HD3 LYS 11 2HD LYS 11 -3.963 -5.780 -1.967 54 HE2 LYS 11 1HE LYS 11 -4.514 -4.906 0.088 55 HE3 LYS 11 2HE LYS 11 -5.896 -4.397 -0.881 56 HZ1 LYS 11 3HZ LYS 11 -7.271 -5.912 0.118 57 HZ2 LYS 11 1HZ LYS 11 -6.253 -5.527 1.413 58 HZ3 LYS 11 2HZ LYS 11 -6.015 -6.960 0.548 59 HA PRO 12 HA PRO 12 -5.331 -8.742 -8.829 60 HB2 PRO 12 1HB PRO 12 -5.687 -6.734 -10.620 61 HB3 PRO 12 2HB PRO 12 -7.005 -7.776 -10.071 62 HG2 PRO 12 1HG PRO 12 -6.266 -5.020 -9.165 63 HG3 PRO 12 2HG PRO 12 -7.871 -5.694 -9.504 64 HD2 PRO 12 1HD PRO 12 -6.901 -5.433 -6.989 65 HD3 PRO 12 2HD PRO 12 -7.998 -6.748 -7.458 66 H TYR 13 H TYR 13 -4.414 -5.455 -7.901 67 HA TYR 13 HA TYR 13 -1.962 -5.528 -9.414 68 HB2 TYR 13 1HB TYR 13 -2.693 -3.547 -7.259 69 HB3 TYR 13 2HB TYR 13 -1.571 -3.325 -8.596 70 HD1 TYR 13 2HD TYR 13 -5.118 -3.489 -7.644 71 HD2 TYR 13 1HD TYR 13 -2.357 -2.746 -10.796 72 HE1 TYR 13 2HE TYR 13 -6.929 -2.515 -8.994 73 HE2 TYR 13 1HE TYR 13 -4.161 -1.770 -12.154 74 HH TYR 13 HH TYR 13 -6.715 -1.993 -12.256 75 H ARG 14 H ARG 14 -0.098 -6.366 -8.766 76 HA ARG 14 HA ARG 14 0.404 -6.653 -5.882 77 HB2 ARG 14 1HB ARG 14 -0.252 -8.794 -7.308 78 HB3 ARG 14 2HB ARG 14 1.448 -8.727 -7.753 79 HG2 ARG 14 1HG ARG 14 2.119 -8.924 -5.461 80 HG3 ARG 14 2HG ARG 14 0.445 -8.794 -4.917 81 HD2 ARG 14 1HD ARG 14 1.201 -10.956 -6.829 82 HD3 ARG 14 2HD ARG 14 1.606 -11.133 -5.122 83 HE ARG 14 HE ARG 14 -1.009 -10.478 -5.052 84 HH11 ARG 14 2HH1 ARG 14 0.788 -12.882 -6.816 85 HH12 ARG 14 1HH1 ARG 14 -0.528 -14.007 -6.880 86 HH21 ARG 14 2HH2 ARG 14 -2.749 -11.951 -5.130 87 HH22 ARG 14 1HH2 ARG 14 -2.540 -13.476 -5.921 88 H CYS 15 H CYS 15 2.192 -5.628 -5.304 89 HA CYS 15 HA CYS 15 3.908 -4.261 -6.945 90 HB2 CYS 15 1HB CYS 15 3.994 -3.757 -4.642 91 HB3 CYS 15 2HB CYS 15 4.312 -5.431 -4.201 92 H GLY 16 H GLY 16 6.113 -4.614 -7.592 93 HA2 GLY 16 1HA GLY 16 6.578 -7.422 -8.329 94 HA3 GLY 16 2HA GLY 16 7.272 -6.023 -9.135 95 H GLU 17 H GLU 17 8.043 -4.726 -6.631 96 HA GLU 17 HA GLU 17 10.642 -5.765 -6.385 97 HB2 GLU 17 1HB GLU 17 9.720 -3.403 -5.827 98 HB3 GLU 17 2HB GLU 17 9.360 -4.089 -4.249 99 HG2 GLU 17 1HG GLU 17 12.086 -4.065 -5.521 100 HG3 GLU 17 2HG GLU 17 11.514 -2.888 -4.340 101 H CYS 18 H CYS 18 8.190 -5.605 -3.798 102 HA CYS 18 HA CYS 18 9.470 -7.875 -2.488 103 HB2 CYS 18 1HB CYS 18 8.023 -7.327 -0.581 104 HB3 CYS 18 2HB CYS 18 8.927 -5.915 -1.120 105 H GLY 19 H GLY 19 6.307 -6.929 -3.786 106 HA2 GLY 19 1HA GLY 19 5.138 -8.692 -5.067 107 HA3 GLY 19 2HA GLY 19 5.566 -9.791 -3.764 108 H LYS 20 H LYS 20 4.686 -6.637 -2.790 109 HA LYS 20 HA LYS 20 2.523 -7.520 -1.231 110 HB2 LYS 20 1HB LYS 20 3.686 -4.895 -1.976 111 HB3 LYS 20 2HB LYS 20 2.025 -4.880 -1.397 112 HG2 LYS 20 1HG LYS 20 3.053 -6.375 0.521 113 HG3 LYS 20 2HG LYS 20 4.533 -5.542 0.042 114 HD2 LYS 20 1HD LYS 20 3.574 -4.240 1.769 115 HD3 LYS 20 2HD LYS 20 3.236 -3.382 0.265 116 HE2 LYS 20 1HE LYS 20 0.988 -3.956 0.296 117 HE3 LYS 20 2HE LYS 20 1.251 -5.328 1.372 118 HZ1 LYS 20 3HZ LYS 20 0.187 -3.194 2.302 119 HZ2 LYS 20 1HZ LYS 20 1.766 -2.585 2.316 120 HZ3 LYS 20 2HZ LYS 20 1.385 -3.967 3.213 121 H ALA 21 H ALA 21 0.373 -6.022 -1.485 122 HA ALA 21 HA ALA 21 -0.550 -6.027 -4.246 123 HB1 ALA 21 3HB ALA 21 -1.824 -7.732 -2.112 124 HB2 ALA 21 1HB ALA 21 -2.553 -7.376 -3.678 125 HB3 ALA 21 2HB ALA 21 -1.044 -8.286 -3.594 126 H PHE 22 H PHE 22 -2.652 -4.985 -4.501 127 HA PHE 22 HA PHE 22 -3.792 -3.572 -2.271 128 HB2 PHE 22 1HB PHE 22 -2.479 -1.951 -4.461 129 HB3 PHE 22 2HB PHE 22 -3.348 -1.323 -3.064 130 HD1 PHE 22 1HD PHE 22 -0.331 -3.210 -4.084 131 HD2 PHE 22 2HD PHE 22 -2.250 -0.947 -1.032 132 HE1 PHE 22 1HE PHE 22 1.774 -3.147 -2.812 133 HE2 PHE 22 2HE PHE 22 -0.148 -0.879 0.244 134 HZ PHE 22 HZ PHE 22 1.868 -1.979 -0.645 135 H ALA 23 H ALA 23 -5.850 -2.846 -2.684 136 HA ALA 23 HA ALA 23 -7.235 -4.003 -4.851 137 HB1 ALA 23 3HB ALA 23 -8.996 -3.548 -3.579 138 HB2 ALA 23 1HB ALA 23 -7.911 -2.750 -2.440 139 HB3 ALA 23 2HB ALA 23 -8.702 -1.814 -3.709 140 H GLN 24 H GLN 24 -6.075 -0.717 -4.254 141 HA GLN 24 HA GLN 24 -6.794 -0.038 -7.030 142 HB2 GLN 24 1HB GLN 24 -6.694 1.674 -4.553 143 HB3 GLN 24 2HB GLN 24 -6.688 2.368 -6.169 144 HG2 GLN 24 1HG GLN 24 -8.919 2.427 -5.426 145 HG3 GLN 24 2HG GLN 24 -8.822 1.114 -6.598 146 HE21 GLN 24 1HE2 GLN 24 -7.996 1.345 -3.158 147 HE22 GLN 24 2HE2 GLN 24 -8.993 0.027 -2.653 148 H LYS 25 H LYS 25 -5.343 1.461 -8.127 149 HA LYS 25 HA LYS 25 -2.633 0.666 -7.884 150 HB2 LYS 25 1HB LYS 25 -4.164 2.559 -9.594 151 HB3 LYS 25 2HB LYS 25 -2.422 2.786 -9.498 152 HG2 LYS 25 1HG LYS 25 -3.702 0.159 -10.205 153 HG3 LYS 25 2HG LYS 25 -3.236 1.369 -11.402 154 HD2 LYS 25 1HD LYS 25 -1.442 -0.108 -9.484 155 HD3 LYS 25 2HD LYS 25 -1.460 -0.220 -11.245 156 HE2 LYS 25 1HE LYS 25 -0.977 2.347 -11.115 157 HE3 LYS 25 2HE LYS 25 -0.422 1.960 -9.487 158 HZ1 LYS 25 3HZ LYS 25 1.492 1.346 -10.383 159 HZ2 LYS 25 1HZ LYS 25 0.898 1.558 -11.953 160 HZ3 LYS 25 2HZ LYS 25 0.702 0.072 -11.168 161 H ALA 26 H ALA 26 -4.209 3.820 -7.349 162 HA ALA 26 HA ALA 26 -2.143 5.362 -6.532 163 HB1 ALA 26 3HB ALA 26 -3.733 6.520 -5.013 164 HB2 ALA 26 1HB ALA 26 -4.373 6.242 -6.633 165 HB3 ALA 26 2HB ALA 26 -4.887 5.216 -5.293 166 H ASN 27 H ASN 27 -3.631 2.759 -4.710 167 HA ASN 27 HA ASN 27 -2.260 3.340 -2.263 168 HB2 ASN 27 1HB ASN 27 -4.448 2.061 -2.494 169 HB3 ASN 27 2HB ASN 27 -3.484 0.694 -3.046 170 HD21 ASN 27 1HD2 ASN 27 -4.811 0.009 -1.009 171 HD22 ASN 27 2HD2 ASN 27 -3.924 0.064 0.472 172 H LEU 28 H LEU 28 -1.676 1.293 -5.051 173 HA LEU 28 HA LEU 28 0.557 -0.072 -3.856 174 HB2 LEU 28 1HB LEU 28 -0.475 -1.374 -5.451 175 HB3 LEU 28 2HB LEU 28 -0.726 -0.017 -6.547 176 HG LEU 28 HG LEU 28 1.750 -0.052 -6.991 177 HD11 LEU 28 1HD1 LEU 28 2.215 -1.384 -4.873 178 HD12 LEU 28 2HD1 LEU 28 3.074 -1.872 -6.333 179 HD13 LEU 28 3HD1 LEU 28 1.680 -2.799 -5.780 180 HD21 LEU 28 3HD2 LEU 28 1.598 -2.148 -8.402 181 HD22 LEU 28 1HD2 LEU 28 0.331 -0.947 -8.652 182 HD23 LEU 28 2HD2 LEU 28 -0.002 -2.393 -7.699 183 H THR 29 H THR 29 0.231 2.271 -6.526 184 HA THR 29 HA THR 29 2.844 2.715 -7.150 185 HB THR 29 HB THR 29 0.629 4.759 -6.954 186 HG1 THR 29 1HG THR 29 1.706 3.728 -9.342 187 HG21 THR 29 3HG2 THR 29 2.004 6.146 -8.456 188 HG22 THR 29 1HG2 THR 29 3.329 4.994 -8.290 189 HG23 THR 29 2HG2 THR 29 2.775 5.909 -6.887 190 H GLN 30 H GLN 30 1.051 4.174 -4.463 191 HA GLN 30 HA GLN 30 3.159 5.834 -3.567 192 HB2 GLN 30 1HB GLN 30 1.826 6.259 -1.656 193 HB3 GLN 30 2HB GLN 30 0.698 6.038 -2.987 194 HG2 GLN 30 1HG GLN 30 -0.032 3.992 -2.207 195 HG3 GLN 30 2HG GLN 30 1.420 3.727 -1.242 196 HE21 GLN 30 1HE2 GLN 30 -1.206 6.106 -1.500 197 HE22 GLN 30 2HE2 GLN 30 -1.476 6.244 0.201 198 H HIS 31 H HIS 31 2.307 2.499 -2.963 199 HA HIS 31 HA HIS 31 3.953 2.109 -0.688 200 HB2 HIS 31 1HB HIS 31 2.451 0.391 -0.841 201 HB3 HIS 31 2HB HIS 31 2.492 0.368 -2.602 202 HD1 HIS 31 1HD HIS 31 4.098 -1.117 0.405 203 HD2 HIS 31 2HD HIS 31 4.524 -1.239 -3.726 204 HE1 HIS 31 1HE HIS 31 5.613 -3.070 -0.057 205 H GLN 32 H GLN 32 4.450 1.451 -4.146 206 HA GLN 32 HA GLN 32 6.950 0.290 -4.042 207 HB2 GLN 32 1HB GLN 32 6.123 2.270 -6.162 208 HB3 GLN 32 2HB GLN 32 7.223 0.908 -6.332 209 HG2 GLN 32 1HG GLN 32 5.096 -0.468 -5.628 210 HG3 GLN 32 2HG GLN 32 4.255 0.954 -6.243 211 HE21 GLN 32 1HE2 GLN 32 3.424 -0.664 -7.777 212 HE22 GLN 32 2HE2 GLN 32 4.342 -0.985 -9.204 213 H ARG 33 H ARG 33 6.061 3.543 -3.373 214 HA ARG 33 HA ARG 33 8.397 4.935 -3.938 215 HB2 ARG 33 1HB ARG 33 6.616 5.391 -1.539 216 HB3 ARG 33 2HB ARG 33 7.660 6.570 -2.321 217 HG2 ARG 33 1HG ARG 33 5.561 5.272 -3.967 218 HG3 ARG 33 2HG ARG 33 5.061 6.474 -2.776 219 HD2 ARG 33 1HD ARG 33 6.130 8.188 -3.856 220 HD3 ARG 33 2HD ARG 33 7.344 7.126 -4.567 221 HE ARG 33 HE ARG 33 5.090 6.362 -5.824 222 HH11 ARG 33 2HH1 ARG 33 6.537 9.479 -5.267 223 HH12 ARG 33 1HH1 ARG 33 5.910 10.176 -6.724 224 HH21 ARG 33 2HH2 ARG 33 4.258 7.268 -7.745 225 HH22 ARG 33 1HH2 ARG 33 4.613 8.918 -8.133 226 H ILE 34 H ILE 34 7.677 2.711 -1.358 227 HA ILE 34 HA ILE 34 9.785 3.426 0.389 228 HB ILE 34 HB ILE 34 9.271 1.536 1.628 229 HG12 ILE 34 1HG1 ILE 34 8.264 0.237 -0.913 230 HG13 ILE 34 2HG1 ILE 34 9.785 -0.120 -0.102 231 HG21 ILE 34 1HG2 ILE 34 7.141 2.980 0.494 232 HG22 ILE 34 2HG2 ILE 34 6.628 1.295 0.560 233 HG23 ILE 34 3HG2 ILE 34 7.165 2.111 2.028 234 HD11 ILE 34 3HD1 ILE 34 7.011 -0.653 0.925 235 HD12 ILE 34 1HD1 ILE 34 8.215 -1.837 0.418 236 HD13 ILE 34 2HD1 ILE 34 8.483 -0.873 1.871 237 H HIS 35 H HIS 35 9.613 1.419 -2.458 238 HA HIS 35 HA HIS 35 12.195 0.203 -2.019 239 HB2 HIS 35 1HB HIS 35 10.448 0.208 -4.489 240 HB3 HIS 35 2HB HIS 35 11.856 -0.816 -4.222 241 HD1 HIS 35 1HD HIS 35 11.472 -2.147 -1.669 242 HD2 HIS 35 2HD HIS 35 8.225 -1.258 -4.103 243 HE1 HIS 35 1HE HIS 35 9.641 -3.713 -0.947 244 H THR 36 H THR 36 10.901 2.969 -3.680 245 HA THR 36 HA THR 36 13.531 3.502 -4.886 246 HB THR 36 HB THR 36 11.879 3.548 -6.586 247 HG1 THR 36 1HG THR 36 13.340 5.370 -6.558 248 HG21 THR 36 3HG2 THR 36 10.268 5.345 -4.771 249 HG22 THR 36 1HG2 THR 36 9.885 3.679 -5.204 250 HG23 THR 36 2HG2 THR 36 9.846 4.941 -6.435 251 H GLY 37 H GLY 37 14.781 4.927 -3.881 252 HA2 GLY 37 1HA GLY 37 14.947 7.311 -3.226 253 HA3 GLY 37 2HA GLY 37 13.471 7.059 -2.306 254 H GLU 38 H GLU 38 13.690 5.137 -0.693 255 HA GLU 38 HA GLU 38 15.989 5.766 0.967 256 HB2 GLU 38 1HB GLU 38 13.491 5.497 1.707 257 HB3 GLU 38 2HB GLU 38 13.877 3.782 1.727 258 HG2 GLU 38 1HG GLU 38 14.122 4.748 3.933 259 HG3 GLU 38 2HG GLU 38 15.679 4.199 3.316 260 H LYS 39 H LYS 39 17.465 4.253 1.757 261 HA LYS 39 HA LYS 39 17.682 1.814 0.125 262 HB2 LYS 39 1HB LYS 39 19.729 3.601 1.402 263 HB3 LYS 39 2HB LYS 39 20.129 1.936 1.002 264 HG2 LYS 39 1HG LYS 39 19.007 3.850 -1.020 265 HG3 LYS 39 2HG LYS 39 20.737 3.702 -0.705 266 HD2 LYS 39 1HD LYS 39 20.807 1.497 -1.482 267 HD3 LYS 39 2HD LYS 39 19.059 1.298 -1.346 268 HE2 LYS 39 1HE LYS 39 19.367 1.538 -3.630 269 HE3 LYS 39 2HE LYS 39 18.949 3.174 -3.124 270 HZ1 LYS 39 3HZ LYS 39 21.694 2.976 -2.893 271 HZ2 LYS 39 1HZ LYS 39 20.826 3.837 -4.063 272 HZ3 LYS 39 2HZ LYS 39 21.314 2.248 -4.372 273 HA PRO 40 HA PRO 40 17.238 -0.798 3.624 274 HB2 PRO 40 1HB PRO 40 18.977 -2.800 3.045 275 HB3 PRO 40 2HB PRO 40 17.447 -2.578 2.187 276 HG2 PRO 40 1HG PRO 40 20.211 -1.765 1.373 277 HG3 PRO 40 2HG PRO 40 18.930 -2.507 0.397 278 HD2 PRO 40 1HD PRO 40 19.470 0.145 0.319 279 HD3 PRO 40 2HD PRO 40 17.834 -0.503 0.085 280 H SER 41 H SER 41 17.963 -0.652 5.648 281 HA SER 41 HA SER 41 20.563 0.439 6.198 282 HB2 SER 41 1HB SER 41 18.804 1.174 7.625 283 HB3 SER 41 2HB SER 41 18.292 -0.479 7.964 284 HG SER 41 HG SER 41 20.493 0.948 8.954 285 H GLY 42 H GLY 42 22.270 -0.868 5.919 286 HA2 GLY 42 1HA GLY 42 23.357 -2.625 7.486 287 HA3 GLY 42 2HA GLY 42 22.084 -3.652 6.842 288 HA PRO 43 HA PRO 43 25.976 -3.704 4.144 289 HB2 PRO 43 1HB PRO 43 26.729 -6.259 4.670 290 HB3 PRO 43 2HB PRO 43 27.294 -4.877 5.616 291 HG2 PRO 43 1HG PRO 43 25.105 -6.824 6.229 292 HG3 PRO 43 2HG PRO 43 26.352 -6.167 7.305 293 HD2 PRO 43 1HD PRO 43 23.812 -5.229 7.274 294 HD3 PRO 43 2HD PRO 43 25.208 -4.192 7.629 295 H SER 44 H SER 44 24.512 -3.639 2.400 296 HA SER 44 HA SER 44 23.207 -6.148 1.646 297 HB2 SER 44 1HB SER 44 21.989 -4.803 -0.004 298 HB3 SER 44 2HB SER 44 21.847 -4.090 1.603 299 HG SER 44 HG SER 44 23.943 -3.232 -0.029 300 H SER 45 H SER 45 23.433 -7.015 -0.480 301 HA SER 45 HA SER 45 25.622 -6.054 -2.129 302 HB2 SER 45 1HB SER 45 26.858 -8.135 -2.107 303 HB3 SER 45 2HB SER 45 26.683 -7.568 -0.446 304 HG SER 45 HG SER 45 25.127 -9.097 -0.092 305 H GLY 46 H GLY 46 25.886 -7.636 -4.076 306 HA2 GLY 46 1HA GLY 46 24.945 -8.695 -5.889 307 HA3 GLY 46 2HA GLY 46 23.648 -9.225 -4.827 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -18.796 -23.039 0.663 2 HA2 GLY 1 1HA GLY 1 -16.139 -23.323 1.929 3 HA3 GLY 1 2HA GLY 1 -16.452 -23.729 0.248 4 H SER 2 H SER 2 -15.173 -22.317 -0.809 5 HA SER 2 HA SER 2 -15.090 -19.526 -0.016 6 HB2 SER 2 1HB SER 2 -13.599 -21.206 -2.007 7 HB3 SER 2 2HB SER 2 -13.554 -19.447 -2.133 8 HG SER 2 HG SER 2 -11.850 -20.408 -0.837 9 H SER 3 H SER 3 -15.160 -17.898 -1.907 10 HA SER 3 HA SER 3 -17.222 -18.563 -3.869 11 HB2 SER 3 1HB SER 3 -17.486 -16.557 -1.666 12 HB3 SER 3 2HB SER 3 -18.217 -16.198 -3.230 13 HG SER 3 HG SER 3 -19.689 -17.665 -2.877 14 H GLY 4 H GLY 4 -17.255 -17.203 -5.696 15 HA2 GLY 4 1HA GLY 4 -14.748 -16.229 -6.517 16 HA3 GLY 4 2HA GLY 4 -16.273 -15.939 -7.341 17 H SER 5 H SER 5 -14.611 -13.938 -7.547 18 HA SER 5 HA SER 5 -15.141 -12.044 -5.374 19 HB2 SER 5 1HB SER 5 -12.800 -12.418 -6.371 20 HB3 SER 5 2HB SER 5 -13.389 -11.524 -7.772 21 HG SER 5 HG SER 5 -12.388 -10.123 -6.303 22 H SER 6 H SER 6 -16.378 -10.257 -5.618 23 HA SER 6 HA SER 6 -18.200 -10.174 -7.820 24 HB2 SER 6 1HB SER 6 -17.782 -8.180 -5.579 25 HB3 SER 6 2HB SER 6 -19.163 -8.223 -6.675 26 HG SER 6 HG SER 6 -19.737 -10.220 -5.814 27 H GLY 7 H GLY 7 -15.922 -7.720 -6.570 28 HA2 GLY 7 1HA GLY 7 -14.969 -7.107 -9.209 29 HA3 GLY 7 2HA GLY 7 -16.063 -5.880 -8.588 30 H THR 8 H THR 8 -15.338 -5.927 -5.888 31 HA THR 8 HA THR 8 -12.551 -4.971 -6.018 32 HB THR 8 HB THR 8 -13.194 -3.405 -4.150 33 HG1 THR 8 1HG THR 8 -15.299 -4.728 -3.920 34 HG21 THR 8 3HG2 THR 8 -13.963 -1.724 -5.604 35 HG22 THR 8 1HG2 THR 8 -14.822 -2.878 -6.623 36 HG23 THR 8 2HG2 THR 8 -13.059 -2.828 -6.640 37 H GLY 9 H GLY 9 -13.198 -7.640 -5.394 38 HA2 GLY 9 1HA GLY 9 -13.184 -7.927 -2.513 39 HA3 GLY 9 2HA GLY 9 -13.107 -9.226 -3.694 40 H GLU 10 H GLU 10 -11.023 -9.521 -4.825 41 HA GLU 10 HA GLU 10 -8.857 -9.329 -2.908 42 HB2 GLU 10 1HB GLU 10 -9.316 -10.815 -5.460 43 HB3 GLU 10 2HB GLU 10 -7.665 -10.572 -4.907 44 HG2 GLU 10 1HG GLU 10 -9.723 -11.695 -3.058 45 HG3 GLU 10 2HG GLU 10 -8.930 -12.725 -4.248 46 H LYS 11 H LYS 11 -6.601 -8.929 -4.002 47 HA LYS 11 HA LYS 11 -6.807 -6.337 -5.376 48 HB2 LYS 11 1HB LYS 11 -4.437 -7.442 -3.863 49 HB3 LYS 11 2HB LYS 11 -4.643 -5.799 -4.456 50 HG2 LYS 11 1HG LYS 11 -6.090 -5.225 -2.781 51 HG3 LYS 11 2HG LYS 11 -6.644 -6.884 -2.541 52 HD2 LYS 11 1HD LYS 11 -4.464 -7.443 -1.541 53 HD3 LYS 11 2HD LYS 11 -3.957 -5.764 -1.740 54 HE2 LYS 11 1HE LYS 11 -5.754 -5.035 -0.267 55 HE3 LYS 11 2HE LYS 11 -6.310 -6.699 -0.098 56 HZ1 LYS 11 3HZ LYS 11 -4.200 -5.346 1.272 57 HZ2 LYS 11 1HZ LYS 11 -3.667 -6.795 0.579 58 HZ3 LYS 11 2HZ LYS 11 -4.972 -6.801 1.656 59 HA PRO 12 HA PRO 12 -5.249 -8.677 -8.884 60 HB2 PRO 12 1HB PRO 12 -5.595 -6.664 -10.672 61 HB3 PRO 12 2HB PRO 12 -6.919 -7.696 -10.120 62 HG2 PRO 12 1HG PRO 12 -6.156 -4.948 -9.212 63 HG3 PRO 12 2HG PRO 12 -7.767 -5.608 -9.547 64 HD2 PRO 12 1HD PRO 12 -6.788 -5.359 -7.035 65 HD3 PRO 12 2HD PRO 12 -7.897 -6.664 -7.502 66 H TYR 13 H TYR 13 -4.292 -5.419 -7.915 67 HA TYR 13 HA TYR 13 -1.838 -5.522 -9.438 68 HB2 TYR 13 1HB TYR 13 -2.576 -3.496 -7.328 69 HB3 TYR 13 2HB TYR 13 -1.434 -3.307 -8.654 70 HD1 TYR 13 2HD TYR 13 -4.982 -3.372 -7.725 71 HD2 TYR 13 1HD TYR 13 -2.200 -2.816 -10.895 72 HE1 TYR 13 2HE TYR 13 -6.768 -2.409 -9.116 73 HE2 TYR 13 1HE TYR 13 -3.977 -1.850 -12.294 74 HH TYR 13 HH TYR 13 -7.240 -1.334 -11.021 75 H ARG 14 H ARG 14 -0.010 -6.410 -8.763 76 HA ARG 14 HA ARG 14 0.476 -6.629 -5.869 77 HB2 ARG 14 1HB ARG 14 -0.198 -8.790 -7.249 78 HB3 ARG 14 2HB ARG 14 1.502 -8.752 -7.697 79 HG2 ARG 14 1HG ARG 14 2.145 -8.840 -5.357 80 HG3 ARG 14 2HG ARG 14 0.446 -8.817 -4.878 81 HD2 ARG 14 1HD ARG 14 0.152 -10.923 -6.224 82 HD3 ARG 14 2HD ARG 14 1.906 -10.970 -6.395 83 HE ARG 14 HE ARG 14 2.065 -11.692 -4.226 84 HH11 ARG 14 2HH1 ARG 14 -1.133 -10.435 -4.786 85 HH12 ARG 14 1HH1 ARG 14 -1.755 -10.980 -3.264 86 HH21 ARG 14 2HH2 ARG 14 1.257 -12.415 -2.219 87 HH22 ARG 14 1HH2 ARG 14 -0.395 -12.105 -1.804 88 H CYS 15 H CYS 15 2.276 -5.622 -5.295 89 HA CYS 15 HA CYS 15 4.022 -4.313 -6.958 90 HB2 CYS 15 1HB CYS 15 4.076 -3.748 -4.665 91 HB3 CYS 15 2HB CYS 15 4.391 -5.410 -4.178 92 H GLY 16 H GLY 16 6.177 -4.713 -7.652 93 HA2 GLY 16 1HA GLY 16 6.631 -7.541 -8.281 94 HA3 GLY 16 2HA GLY 16 7.363 -6.171 -9.104 95 H GLU 17 H GLU 17 8.106 -4.844 -6.599 96 HA GLU 17 HA GLU 17 10.685 -5.928 -6.294 97 HB2 GLU 17 1HB GLU 17 9.682 -3.536 -5.759 98 HB3 GLU 17 2HB GLU 17 9.507 -4.220 -4.149 99 HG2 GLU 17 1HG GLU 17 11.573 -3.075 -4.200 100 HG3 GLU 17 2HG GLU 17 11.939 -4.799 -4.225 101 H CYS 18 H CYS 18 8.254 -5.607 -3.707 102 HA CYS 18 HA CYS 18 9.447 -7.873 -2.327 103 HB2 CYS 18 1HB CYS 18 7.972 -7.251 -0.468 104 HB3 CYS 18 2HB CYS 18 8.896 -5.863 -1.034 105 H GLY 19 H GLY 19 6.310 -6.927 -3.693 106 HA2 GLY 19 1HA GLY 19 5.134 -8.697 -4.951 107 HA3 GLY 19 2HA GLY 19 5.550 -9.783 -3.634 108 H LYS 20 H LYS 20 4.668 -6.599 -2.734 109 HA LYS 20 HA LYS 20 2.503 -7.449 -1.156 110 HB2 LYS 20 1HB LYS 20 3.666 -4.841 -1.959 111 HB3 LYS 20 2HB LYS 20 2.004 -4.814 -1.385 112 HG2 LYS 20 1HG LYS 20 3.020 -6.258 0.573 113 HG3 LYS 20 2HG LYS 20 4.509 -5.452 0.075 114 HD2 LYS 20 1HD LYS 20 3.570 -3.300 0.469 115 HD3 LYS 20 2HD LYS 20 1.953 -3.975 0.676 116 HE2 LYS 20 1HE LYS 20 2.414 -4.781 2.781 117 HE3 LYS 20 2HE LYS 20 4.146 -4.894 2.474 118 HZ1 LYS 20 3HZ LYS 20 4.200 -3.045 3.721 119 HZ2 LYS 20 1HZ LYS 20 2.580 -2.652 3.432 120 HZ3 LYS 20 2HZ LYS 20 3.762 -2.262 2.287 121 H ALA 21 H ALA 21 0.367 -5.910 -1.467 122 HA ALA 21 HA ALA 21 -0.553 -5.949 -4.217 123 HB1 ALA 21 3HB ALA 21 -0.941 -8.258 -3.447 124 HB2 ALA 21 1HB ALA 21 -1.945 -7.633 -2.139 125 HB3 ALA 21 2HB ALA 21 -2.441 -7.408 -3.817 126 H PHE 22 H PHE 22 -2.675 -4.951 -4.471 127 HA PHE 22 HA PHE 22 -3.867 -3.602 -2.230 128 HB2 PHE 22 1HB PHE 22 -2.573 -1.908 -4.374 129 HB3 PHE 22 2HB PHE 22 -3.460 -1.331 -2.967 130 HD1 PHE 22 1HD PHE 22 -0.386 -3.077 -4.043 131 HD2 PHE 22 2HD PHE 22 -2.393 -1.033 -0.895 132 HE1 PHE 22 1HE PHE 22 1.712 -3.000 -2.760 133 HE2 PHE 22 2HE PHE 22 -0.298 -0.951 0.393 134 HZ PHE 22 HZ PHE 22 1.758 -1.935 -0.540 135 H ALA 23 H ALA 23 -5.938 -2.924 -2.651 136 HA ALA 23 HA ALA 23 -7.248 -4.048 -4.892 137 HB1 ALA 23 3HB ALA 23 -9.254 -3.110 -4.006 138 HB2 ALA 23 1HB ALA 23 -8.274 -3.661 -2.646 139 HB3 ALA 23 2HB ALA 23 -8.349 -1.943 -3.041 140 H GLN 24 H GLN 24 -6.020 -0.843 -4.185 141 HA GLN 24 HA GLN 24 -6.823 -0.004 -6.892 142 HB2 GLN 24 1HB GLN 24 -6.962 1.453 -4.289 143 HB3 GLN 24 2HB GLN 24 -6.640 2.372 -5.754 144 HG2 GLN 24 1HG GLN 24 -8.713 1.919 -6.656 145 HG3 GLN 24 2HG GLN 24 -8.945 0.481 -5.663 146 HE21 GLN 24 1HE2 GLN 24 -8.944 1.007 -3.235 147 HE22 GLN 24 2HE2 GLN 24 -9.919 2.354 -2.766 148 H LYS 25 H LYS 25 -5.342 1.175 -8.093 149 HA LYS 25 HA LYS 25 -2.634 0.588 -7.724 150 HB2 LYS 25 1HB LYS 25 -4.189 2.377 -9.519 151 HB3 LYS 25 2HB LYS 25 -2.461 2.676 -9.390 152 HG2 LYS 25 1HG LYS 25 -3.675 0.017 -10.106 153 HG3 LYS 25 2HG LYS 25 -3.091 1.201 -11.277 154 HD2 LYS 25 1HD LYS 25 -1.445 -0.150 -9.137 155 HD3 LYS 25 2HD LYS 25 -1.409 -0.516 -10.863 156 HE2 LYS 25 1HE LYS 25 -0.582 2.055 -9.523 157 HE3 LYS 25 2HE LYS 25 0.466 0.888 -10.328 158 HZ1 LYS 25 3HZ LYS 25 -1.476 1.628 -12.165 159 HZ2 LYS 25 1HZ LYS 25 0.169 2.022 -12.189 160 HZ3 LYS 25 2HZ LYS 25 -0.939 3.062 -11.446 161 H ALA 26 H ALA 26 -4.349 3.676 -7.250 162 HA ALA 26 HA ALA 26 -2.354 5.330 -6.465 163 HB1 ALA 26 3HB ALA 26 -4.744 5.377 -4.717 164 HB2 ALA 26 1HB ALA 26 -3.955 6.684 -5.599 165 HB3 ALA 26 2HB ALA 26 -5.009 5.555 -6.452 166 H ASN 27 H ASN 27 -3.654 2.640 -4.649 167 HA ASN 27 HA ASN 27 -2.303 3.343 -2.205 168 HB2 ASN 27 1HB ASN 27 -4.465 2.028 -2.344 169 HB3 ASN 27 2HB ASN 27 -3.507 0.667 -2.919 170 HD21 ASN 27 1HD2 ASN 27 -4.989 0.396 -0.675 171 HD22 ASN 27 2HD2 ASN 27 -3.965 0.309 0.714 172 H LEU 28 H LEU 28 -1.702 1.285 -4.972 173 HA LEU 28 HA LEU 28 0.560 -0.037 -3.780 174 HB2 LEU 28 1HB LEU 28 -0.474 -1.364 -5.358 175 HB3 LEU 28 2HB LEU 28 -0.733 -0.020 -6.468 176 HG LEU 28 HG LEU 28 1.743 -0.042 -6.910 177 HD11 LEU 28 1HD1 LEU 28 2.216 -1.348 -4.777 178 HD12 LEU 28 2HD1 LEU 28 3.080 -1.845 -6.231 179 HD13 LEU 28 3HD1 LEU 28 1.692 -2.776 -5.670 180 HD21 LEU 28 3HD2 LEU 28 1.607 -2.162 -8.294 181 HD22 LEU 28 1HD2 LEU 28 0.342 -0.963 -8.567 182 HD23 LEU 28 2HD2 LEU 28 0.003 -2.397 -7.597 183 H THR 29 H THR 29 0.156 2.314 -6.429 184 HA THR 29 HA THR 29 2.753 2.791 -7.106 185 HB THR 29 HB THR 29 0.490 4.775 -6.868 186 HG1 THR 29 1HG THR 29 1.463 3.033 -8.826 187 HG21 THR 29 3HG2 THR 29 2.530 6.050 -6.759 188 HG22 THR 29 1HG2 THR 29 1.856 6.212 -8.380 189 HG23 THR 29 2HG2 THR 29 3.224 5.136 -8.097 190 H GLN 30 H GLN 30 0.990 4.240 -4.388 191 HA GLN 30 HA GLN 30 3.101 5.905 -3.518 192 HB2 GLN 30 1HB GLN 30 1.800 6.306 -1.577 193 HB3 GLN 30 2HB GLN 30 0.654 6.096 -2.895 194 HG2 GLN 30 1HG GLN 30 -0.012 3.995 -2.145 195 HG3 GLN 30 2HG GLN 30 1.414 3.806 -1.125 196 HE21 GLN 30 1HE2 GLN 30 1.598 5.442 0.656 197 HE22 GLN 30 2HE2 GLN 30 0.146 5.852 1.498 198 H HIS 31 H HIS 31 2.333 2.552 -2.976 199 HA HIS 31 HA HIS 31 4.026 2.179 -0.715 200 HB2 HIS 31 1HB HIS 31 2.518 0.463 -0.803 201 HB3 HIS 31 2HB HIS 31 2.495 0.431 -2.564 202 HD1 HIS 31 1HD HIS 31 4.291 -0.980 0.390 203 HD2 HIS 31 2HD HIS 31 4.396 -1.250 -3.755 204 HE1 HIS 31 1HE HIS 31 5.763 -2.955 -0.118 205 H GLN 32 H GLN 32 4.409 1.595 -4.193 206 HA GLN 32 HA GLN 32 6.883 0.377 -4.209 207 HB2 GLN 32 1HB GLN 32 5.977 2.449 -6.211 208 HB3 GLN 32 2HB GLN 32 7.129 1.147 -6.480 209 HG2 GLN 32 1HG GLN 32 5.092 -0.361 -5.801 210 HG3 GLN 32 2HG GLN 32 4.165 1.052 -6.301 211 HE21 GLN 32 1HE2 GLN 32 3.422 -0.683 -7.846 212 HE22 GLN 32 2HE2 GLN 32 4.277 -0.806 -9.342 213 H ARG 33 H ARG 33 6.085 3.673 -3.509 214 HA ARG 33 HA ARG 33 8.494 4.959 -4.034 215 HB2 ARG 33 1HB ARG 33 6.647 5.508 -1.704 216 HB3 ARG 33 2HB ARG 33 7.792 6.632 -2.423 217 HG2 ARG 33 1HG ARG 33 6.390 6.152 -4.597 218 HG3 ARG 33 2HG ARG 33 5.149 5.717 -3.420 219 HD2 ARG 33 1HD ARG 33 4.707 7.947 -3.644 220 HD3 ARG 33 2HD ARG 33 5.877 8.004 -2.326 221 HE ARG 33 HE ARG 33 7.104 8.214 -4.902 222 HH11 ARG 33 2HH1 ARG 33 5.448 9.988 -2.406 223 HH12 ARG 33 1HH1 ARG 33 6.153 11.510 -2.839 224 HH21 ARG 33 2HH2 ARG 33 8.040 10.212 -5.481 225 HH22 ARG 33 1HH2 ARG 33 7.627 11.636 -4.588 226 H ILE 34 H ILE 34 7.771 2.572 -1.702 227 HA ILE 34 HA ILE 34 9.776 3.274 0.214 228 HB ILE 34 HB ILE 34 9.274 1.257 1.319 229 HG12 ILE 34 1HG1 ILE 34 7.971 0.270 -1.227 230 HG13 ILE 34 2HG1 ILE 34 9.560 -0.222 -0.651 231 HG21 ILE 34 1HG2 ILE 34 7.000 2.668 0.069 232 HG22 ILE 34 2HG2 ILE 34 6.638 1.138 0.865 233 HG23 ILE 34 3HG2 ILE 34 7.402 2.444 1.771 234 HD11 ILE 34 3HD1 ILE 34 8.374 -1.017 1.448 235 HD12 ILE 34 1HD1 ILE 34 6.876 -0.820 0.539 236 HD13 ILE 34 2HD1 ILE 34 8.111 -1.945 -0.028 237 H HIS 35 H HIS 35 9.659 1.290 -2.667 238 HA HIS 35 HA HIS 35 12.307 0.193 -2.180 239 HB2 HIS 35 1HB HIS 35 10.584 -0.122 -4.643 240 HB3 HIS 35 2HB HIS 35 11.957 -1.118 -4.168 241 HD1 HIS 35 1HD HIS 35 11.499 -2.307 -1.656 242 HD2 HIS 35 2HD HIS 35 8.235 -1.280 -4.013 243 HE1 HIS 35 1HE HIS 35 9.583 -3.685 -0.788 244 H THR 36 H THR 36 11.925 3.088 -2.545 245 HA THR 36 HA THR 36 13.709 3.442 -4.863 246 HB THR 36 HB THR 36 12.691 5.575 -5.373 247 HG1 THR 36 1HG THR 36 10.635 5.127 -3.497 248 HG21 THR 36 3HG2 THR 36 11.266 3.073 -5.498 249 HG22 THR 36 1HG2 THR 36 11.338 4.378 -6.681 250 HG23 THR 36 2HG2 THR 36 10.138 4.424 -5.389 251 H GLY 37 H GLY 37 14.638 3.005 -2.273 252 HA2 GLY 37 1HA GLY 37 15.999 5.550 -1.804 253 HA3 GLY 37 2HA GLY 37 15.118 4.854 -0.452 254 H GLU 38 H GLU 38 17.969 4.721 -2.378 255 HA GLU 38 HA GLU 38 18.909 2.324 -0.975 256 HB2 GLU 38 1HB GLU 38 19.101 2.568 -3.504 257 HB3 GLU 38 2HB GLU 38 20.329 3.788 -3.196 258 HG2 GLU 38 1HG GLU 38 21.561 1.864 -3.553 259 HG3 GLU 38 2HG GLU 38 21.489 1.979 -1.796 260 H LYS 39 H LYS 39 20.713 2.324 0.322 261 HA LYS 39 HA LYS 39 21.584 4.965 1.250 262 HB2 LYS 39 1HB LYS 39 22.378 3.801 3.253 263 HB3 LYS 39 2HB LYS 39 20.679 3.459 2.953 264 HG2 LYS 39 1HG LYS 39 21.442 1.325 1.832 265 HG3 LYS 39 2HG LYS 39 23.040 1.658 2.505 266 HD2 LYS 39 1HD LYS 39 22.330 1.345 4.684 267 HD3 LYS 39 2HD LYS 39 20.642 1.679 4.290 268 HE2 LYS 39 1HE LYS 39 20.599 -0.603 4.589 269 HE3 LYS 39 2HE LYS 39 20.848 -0.484 2.847 270 HZ1 LYS 39 3HZ LYS 39 22.339 -2.012 4.383 271 HZ2 LYS 39 1HZ LYS 39 23.231 -0.582 4.526 272 HZ3 LYS 39 2HZ LYS 39 22.955 -1.257 3.000 273 HA PRO 40 HA PRO 40 25.551 4.515 -0.609 274 HB2 PRO 40 1HB PRO 40 26.961 6.202 0.985 275 HB3 PRO 40 2HB PRO 40 25.813 6.767 -0.235 276 HG2 PRO 40 1HG PRO 40 25.438 6.454 2.718 277 HG3 PRO 40 2HG PRO 40 24.924 7.780 1.659 278 HD2 PRO 40 1HD PRO 40 23.227 5.843 2.495 279 HD3 PRO 40 2HD PRO 40 23.068 6.634 0.914 280 H SER 41 H SER 41 25.979 2.330 -0.073 281 HA SER 41 HA SER 41 27.095 1.679 2.513 282 HB2 SER 41 1HB SER 41 25.634 0.163 0.979 283 HB3 SER 41 2HB SER 41 27.149 -0.162 0.137 284 HG SER 41 HG SER 41 27.989 -0.730 2.278 285 H GLY 42 H GLY 42 28.254 1.840 -0.843 286 HA2 GLY 42 1HA GLY 42 31.014 1.750 0.204 287 HA3 GLY 42 2HA GLY 42 30.547 1.209 -1.401 288 HA PRO 43 HA PRO 43 31.852 5.136 -2.893 289 HB2 PRO 43 1HB PRO 43 30.577 5.109 -5.290 290 HB3 PRO 43 2HB PRO 43 32.010 4.130 -4.952 291 HG2 PRO 43 1HG PRO 43 29.124 3.335 -4.930 292 HG3 PRO 43 2HG PRO 43 30.520 2.462 -5.590 293 HD2 PRO 43 1HD PRO 43 29.419 1.851 -3.192 294 HD3 PRO 43 2HD PRO 43 31.153 1.660 -3.524 295 H SER 44 H SER 44 30.998 6.831 -1.813 296 HA SER 44 HA SER 44 28.187 7.531 -2.354 297 HB2 SER 44 1HB SER 44 28.021 8.490 -0.204 298 HB3 SER 44 2HB SER 44 28.920 6.995 0.054 299 HG SER 44 HG SER 44 30.622 8.113 0.606 300 H SER 45 H SER 45 27.805 9.974 -2.059 301 HA SER 45 HA SER 45 29.566 11.322 -3.910 302 HB2 SER 45 1HB SER 45 27.055 12.282 -2.515 303 HB3 SER 45 2HB SER 45 27.906 13.153 -3.790 304 HG SER 45 HG SER 45 26.119 11.891 -4.554 305 H GLY 46 H GLY 46 31.039 10.789 -1.715 306 HA2 GLY 46 1HA GLY 46 31.407 13.473 -0.555 307 HA3 GLY 46 2HA GLY 46 31.404 12.057 0.487 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -18.035 -2.612 9.314 2 HA2 GLY 1 1HA GLY 1 -20.310 -2.312 7.915 3 HA3 GLY 1 2HA GLY 1 -18.869 -1.381 7.533 4 H SER 2 H SER 2 -21.194 -3.014 6.091 5 HA SER 2 HA SER 2 -19.796 -3.361 3.665 6 HB2 SER 2 1HB SER 2 -20.084 -5.863 3.493 7 HB3 SER 2 2HB SER 2 -18.838 -5.339 4.625 8 HG SER 2 HG SER 2 -20.869 -6.910 5.129 9 H SER 3 H SER 3 -21.199 -3.370 1.995 10 HA SER 3 HA SER 3 -23.973 -3.006 2.540 11 HB2 SER 3 1HB SER 3 -24.198 -2.806 0.084 12 HB3 SER 3 2HB SER 3 -22.884 -1.808 0.708 13 HG SER 3 HG SER 3 -21.449 -3.515 0.082 14 H GLY 4 H GLY 4 -22.191 -5.501 0.714 15 HA2 GLY 4 1HA GLY 4 -23.886 -7.587 1.693 16 HA3 GLY 4 2HA GLY 4 -24.275 -7.160 0.033 17 H SER 5 H SER 5 -21.295 -7.660 1.933 18 HA SER 5 HA SER 5 -20.505 -9.891 0.318 19 HB2 SER 5 1HB SER 5 -18.445 -8.842 -0.588 20 HB3 SER 5 2HB SER 5 -19.912 -8.116 -1.243 21 HG SER 5 HG SER 5 -19.646 -6.407 0.238 22 H SER 6 H SER 6 -18.650 -10.959 1.124 23 HA SER 6 HA SER 6 -18.041 -10.241 3.896 24 HB2 SER 6 1HB SER 6 -17.261 -12.538 4.145 25 HB3 SER 6 2HB SER 6 -18.871 -12.532 3.427 26 HG SER 6 HG SER 6 -17.763 -12.710 1.359 27 H GLY 7 H GLY 7 -16.454 -8.705 3.766 28 HA2 GLY 7 1HA GLY 7 -14.124 -8.312 3.922 29 HA3 GLY 7 2HA GLY 7 -13.848 -9.672 2.843 30 H THR 8 H THR 8 -12.928 -6.818 2.805 31 HA THR 8 HA THR 8 -14.068 -5.197 0.952 32 HB THR 8 HB THR 8 -11.104 -5.784 0.990 33 HG1 THR 8 1HG THR 8 -12.482 -3.849 2.554 34 HG21 THR 8 3HG2 THR 8 -10.934 -3.393 0.361 35 HG22 THR 8 1HG2 THR 8 -12.691 -3.330 0.231 36 HG23 THR 8 2HG2 THR 8 -11.763 -4.364 -0.855 37 H GLY 9 H GLY 9 -11.834 -7.873 0.193 38 HA2 GLY 9 1HA GLY 9 -12.886 -9.176 -1.804 39 HA3 GLY 9 2HA GLY 9 -12.603 -7.651 -2.631 40 H GLU 10 H GLU 10 -11.218 -8.756 -4.099 41 HA GLU 10 HA GLU 10 -8.657 -9.637 -2.954 42 HB2 GLU 10 1HB GLU 10 -10.169 -10.362 -5.420 43 HB3 GLU 10 2HB GLU 10 -8.414 -10.447 -5.469 44 HG2 GLU 10 1HG GLU 10 -9.263 -12.604 -4.913 45 HG3 GLU 10 2HG GLU 10 -8.477 -11.930 -3.487 46 H LYS 11 H LYS 11 -6.691 -9.059 -4.128 47 HA LYS 11 HA LYS 11 -6.918 -6.404 -5.389 48 HB2 LYS 11 1HB LYS 11 -4.565 -7.472 -3.822 49 HB3 LYS 11 2HB LYS 11 -4.761 -5.841 -4.450 50 HG2 LYS 11 1HG LYS 11 -6.236 -5.236 -2.812 51 HG3 LYS 11 2HG LYS 11 -6.804 -6.888 -2.560 52 HD2 LYS 11 1HD LYS 11 -4.941 -7.455 -1.268 53 HD3 LYS 11 2HD LYS 11 -3.997 -6.087 -1.863 54 HE2 LYS 11 1HE LYS 11 -5.509 -4.555 -0.671 55 HE3 LYS 11 2HE LYS 11 -6.404 -5.940 -0.049 56 HZ1 LYS 11 3HZ LYS 11 -4.053 -6.638 0.796 57 HZ2 LYS 11 1HZ LYS 11 -4.981 -5.525 1.670 58 HZ3 LYS 11 2HZ LYS 11 -3.727 -4.982 0.673 59 HA PRO 12 HA PRO 12 -5.278 -8.753 -8.856 60 HB2 PRO 12 1HB PRO 12 -5.648 -6.766 -10.669 61 HB3 PRO 12 2HB PRO 12 -6.955 -7.822 -10.120 62 HG2 PRO 12 1HG PRO 12 -6.262 -5.048 -9.235 63 HG3 PRO 12 2HG PRO 12 -7.855 -5.747 -9.579 64 HD2 PRO 12 1HD PRO 12 -6.909 -5.449 -7.059 65 HD3 PRO 12 2HD PRO 12 -7.984 -6.784 -7.524 66 H TYR 13 H TYR 13 -4.390 -5.485 -7.873 67 HA TYR 13 HA TYR 13 -1.940 -5.505 -9.399 68 HB2 TYR 13 1HB TYR 13 -2.686 -3.557 -7.220 69 HB3 TYR 13 2HB TYR 13 -1.577 -3.307 -8.563 70 HD1 TYR 13 1HD TYR 13 -2.412 -2.817 -10.793 71 HD2 TYR 13 2HD TYR 13 -5.090 -3.418 -7.542 72 HE1 TYR 13 1HE TYR 13 -4.237 -1.847 -12.126 73 HE2 TYR 13 2HE TYR 13 -6.923 -2.450 -8.865 74 HH TYR 13 HH TYR 13 -6.456 -0.676 -11.630 75 H ARG 14 H ARG 14 -0.087 -6.369 -8.762 76 HA ARG 14 HA ARG 14 0.429 -6.660 -5.881 77 HB2 ARG 14 1HB ARG 14 -0.237 -8.797 -7.305 78 HB3 ARG 14 2HB ARG 14 1.459 -8.731 -7.763 79 HG2 ARG 14 1HG ARG 14 2.131 -8.893 -5.449 80 HG3 ARG 14 2HG ARG 14 0.444 -8.841 -4.931 81 HD2 ARG 14 1HD ARG 14 1.190 -11.121 -4.889 82 HD3 ARG 14 2HD ARG 14 0.044 -10.928 -6.215 83 HE ARG 14 HE ARG 14 2.397 -10.568 -7.451 84 HH11 ARG 14 2HH1 ARG 14 1.274 -13.019 -5.248 85 HH12 ARG 14 1HH1 ARG 14 2.277 -14.264 -5.917 86 HH21 ARG 14 2HH2 ARG 14 3.722 -12.198 -8.340 87 HH22 ARG 14 1HH2 ARG 14 3.669 -13.795 -7.675 88 H CYS 15 H CYS 15 2.221 -5.639 -5.308 89 HA CYS 15 HA CYS 15 3.934 -4.277 -6.962 90 HB2 CYS 15 1HB CYS 15 4.012 -3.763 -4.657 91 HB3 CYS 15 2HB CYS 15 4.348 -5.432 -4.211 92 H GLY 16 H GLY 16 6.125 -4.636 -7.628 93 HA2 GLY 16 1HA GLY 16 6.590 -7.446 -8.346 94 HA3 GLY 16 2HA GLY 16 7.294 -6.051 -9.150 95 H GLU 17 H GLU 17 8.063 -4.754 -6.647 96 HA GLU 17 HA GLU 17 10.654 -5.812 -6.387 97 HB2 GLU 17 1HB GLU 17 9.618 -3.446 -5.788 98 HB3 GLU 17 2HB GLU 17 9.486 -4.166 -4.190 99 HG2 GLU 17 1HG GLU 17 11.541 -2.895 -4.416 100 HG3 GLU 17 2HG GLU 17 11.877 -4.609 -4.173 101 H CYS 18 H CYS 18 8.217 -5.602 -3.792 102 HA CYS 18 HA CYS 18 9.469 -7.875 -2.467 103 HB2 CYS 18 1HB CYS 18 8.002 -7.311 -0.576 104 HB3 CYS 18 2HB CYS 18 8.924 -5.910 -1.113 105 H GLY 19 H GLY 19 6.327 -6.936 -3.813 106 HA2 GLY 19 1HA GLY 19 5.151 -8.693 -5.081 107 HA3 GLY 19 2HA GLY 19 5.583 -9.796 -3.783 108 H LYS 20 H LYS 20 4.697 -6.647 -2.797 109 HA LYS 20 HA LYS 20 2.541 -7.536 -1.234 110 HB2 LYS 20 1HB LYS 20 3.688 -4.907 -1.988 111 HB3 LYS 20 2HB LYS 20 2.028 -4.898 -1.408 112 HG2 LYS 20 1HG LYS 20 3.074 -6.389 0.510 113 HG3 LYS 20 2HG LYS 20 4.542 -5.533 0.031 114 HD2 LYS 20 1HD LYS 20 3.634 -3.443 0.572 115 HD3 LYS 20 2HD LYS 20 1.982 -4.065 0.585 116 HE2 LYS 20 1HE LYS 20 4.116 -4.872 2.556 117 HE3 LYS 20 2HE LYS 20 2.930 -3.600 2.848 118 HZ1 LYS 20 3HZ LYS 20 1.170 -5.180 2.717 119 HZ2 LYS 20 1HZ LYS 20 2.323 -5.794 3.791 120 HZ3 LYS 20 2HZ LYS 20 2.218 -6.411 2.220 121 H ALA 21 H ALA 21 0.397 -5.995 -1.503 122 HA ALA 21 HA ALA 21 -0.538 -6.017 -4.253 123 HB1 ALA 21 3HB ALA 21 -1.568 -7.889 -2.156 124 HB2 ALA 21 1HB ALA 21 -2.616 -7.328 -3.459 125 HB3 ALA 21 2HB ALA 21 -1.141 -8.219 -3.835 126 H PHE 22 H PHE 22 -2.659 -5.003 -4.491 127 HA PHE 22 HA PHE 22 -3.811 -3.622 -2.250 128 HB2 PHE 22 1HB PHE 22 -2.500 -1.969 -4.417 129 HB3 PHE 22 2HB PHE 22 -3.394 -1.359 -3.029 130 HD1 PHE 22 1HD PHE 22 -0.345 -3.213 -4.014 131 HD2 PHE 22 2HD PHE 22 -2.325 -0.974 -0.984 132 HE1 PHE 22 1HE PHE 22 1.743 -3.133 -2.714 133 HE2 PHE 22 2HE PHE 22 -0.240 -0.889 0.320 134 HZ PHE 22 HZ PHE 22 1.797 -1.969 -0.545 135 H ALA 23 H ALA 23 -5.869 -2.874 -2.667 136 HA ALA 23 HA ALA 23 -7.217 -4.015 -4.886 137 HB1 ALA 23 3HB ALA 23 -7.937 -2.871 -2.417 138 HB2 ALA 23 1HB ALA 23 -8.787 -1.961 -3.666 139 HB3 ALA 23 2HB ALA 23 -8.975 -3.712 -3.568 140 H GLN 24 H GLN 24 -6.049 -0.776 -4.156 141 HA GLN 24 HA GLN 24 -6.854 0.055 -6.866 142 HB2 GLN 24 1HB GLN 24 -6.789 1.577 -4.279 143 HB3 GLN 24 2HB GLN 24 -6.668 2.422 -5.816 144 HG2 GLN 24 1HG GLN 24 -8.910 2.527 -5.514 145 HG3 GLN 24 2HG GLN 24 -8.813 0.989 -6.370 146 HE21 GLN 24 1HE2 GLN 24 -10.671 0.156 -5.491 147 HE22 GLN 24 2HE2 GLN 24 -10.807 -0.296 -3.829 148 H LYS 25 H LYS 25 -5.366 1.085 -8.147 149 HA LYS 25 HA LYS 25 -2.668 0.481 -7.829 150 HB2 LYS 25 1HB LYS 25 -4.229 2.278 -9.612 151 HB3 LYS 25 2HB LYS 25 -2.490 2.531 -9.537 152 HG2 LYS 25 1HG LYS 25 -3.828 -0.083 -10.202 153 HG3 LYS 25 2HG LYS 25 -3.165 1.052 -11.380 154 HD2 LYS 25 1HD LYS 25 -1.674 -0.505 -9.275 155 HD3 LYS 25 2HD LYS 25 -1.531 -0.648 -11.029 156 HE2 LYS 25 1HE LYS 25 -0.690 1.677 -9.306 157 HE3 LYS 25 2HE LYS 25 0.356 0.583 -10.210 158 HZ1 LYS 25 3HZ LYS 25 0.198 1.935 -11.936 159 HZ2 LYS 25 1HZ LYS 25 -0.835 2.966 -11.080 160 HZ3 LYS 25 2HZ LYS 25 -1.476 1.699 -11.998 161 H ALA 26 H ALA 26 -4.280 3.633 -7.403 162 HA ALA 26 HA ALA 26 -2.220 5.234 -6.680 163 HB1 ALA 26 3HB ALA 26 -3.788 6.672 -5.956 164 HB2 ALA 26 1HB ALA 26 -4.918 5.470 -6.580 165 HB3 ALA 26 2HB ALA 26 -4.513 5.493 -4.864 166 H ASN 27 H ASN 27 -3.639 2.676 -4.751 167 HA ASN 27 HA ASN 27 -2.255 3.382 -2.340 168 HB2 ASN 27 1HB ASN 27 -4.447 1.962 -2.693 169 HB3 ASN 27 2HB ASN 27 -3.310 0.625 -2.833 170 HD21 ASN 27 1HD2 ASN 27 -1.433 1.094 -1.031 171 HD22 ASN 27 2HD2 ASN 27 -2.092 1.181 0.564 172 H LEU 28 H LEU 28 -1.677 1.241 -5.054 173 HA LEU 28 HA LEU 28 0.560 -0.087 -3.837 174 HB2 LEU 28 1HB LEU 28 -0.428 -1.426 -5.415 175 HB3 LEU 28 2HB LEU 28 -0.737 -0.084 -6.515 176 HG LEU 28 HG LEU 28 1.765 -0.058 -6.953 177 HD11 LEU 28 1HD1 LEU 28 3.081 -1.910 -6.371 178 HD12 LEU 28 2HD1 LEU 28 1.683 -2.850 -5.851 179 HD13 LEU 28 3HD1 LEU 28 2.227 -1.474 -4.890 180 HD21 LEU 28 3HD2 LEU 28 1.592 -2.135 -8.422 181 HD22 LEU 28 1HD2 LEU 28 0.384 -0.872 -8.665 182 HD23 LEU 28 2HD2 LEU 28 -0.031 -2.327 -7.758 183 H THR 29 H THR 29 0.190 2.335 -6.419 184 HA THR 29 HA THR 29 2.817 2.746 -7.094 185 HB THR 29 HB THR 29 0.624 4.814 -6.860 186 HG1 THR 29 1HG THR 29 0.082 3.329 -8.405 187 HG21 THR 29 3HG2 THR 29 3.308 4.975 -8.236 188 HG22 THR 29 1HG2 THR 29 2.760 5.951 -6.874 189 HG23 THR 29 2HG2 THR 29 1.996 6.133 -8.453 190 H GLN 30 H GLN 30 1.030 4.242 -4.415 191 HA GLN 30 HA GLN 30 3.138 5.883 -3.513 192 HB2 GLN 30 1HB GLN 30 1.819 6.285 -1.587 193 HB3 GLN 30 2HB GLN 30 0.684 6.074 -2.913 194 HG2 GLN 30 1HG GLN 30 -0.015 3.999 -2.156 195 HG3 GLN 30 2HG GLN 30 1.426 3.765 -1.169 196 HE21 GLN 30 1HE2 GLN 30 0.620 3.519 0.815 197 HE22 GLN 30 2HE2 GLN 30 -0.398 4.657 1.623 198 H HIS 31 H HIS 31 2.340 2.534 -2.960 199 HA HIS 31 HA HIS 31 3.998 2.142 -0.687 200 HB2 HIS 31 1HB HIS 31 2.503 0.417 -0.838 201 HB3 HIS 31 2HB HIS 31 2.532 0.403 -2.599 202 HD1 HIS 31 1HD HIS 31 4.229 -1.041 0.393 203 HD2 HIS 31 2HD HIS 31 4.506 -1.232 -3.748 204 HE1 HIS 31 1HE HIS 31 5.738 -2.993 -0.090 205 H GLN 32 H GLN 32 4.472 1.583 -4.160 206 HA GLN 32 HA GLN 32 6.957 0.395 -4.125 207 HB2 GLN 32 1HB GLN 32 6.116 2.481 -6.137 208 HB3 GLN 32 2HB GLN 32 7.240 1.151 -6.383 209 HG2 GLN 32 1HG GLN 32 5.112 -0.277 -5.719 210 HG3 GLN 32 2HG GLN 32 4.279 1.152 -6.327 211 HE21 GLN 32 1HE2 GLN 32 3.436 -0.012 -8.064 212 HE22 GLN 32 2HE2 GLN 32 4.410 -0.469 -9.416 213 H ARG 33 H ARG 33 6.112 3.708 -3.498 214 HA ARG 33 HA ARG 33 8.518 5.008 -3.928 215 HB2 ARG 33 1HB ARG 33 6.593 5.521 -1.654 216 HB3 ARG 33 2HB ARG 33 7.764 6.659 -2.306 217 HG2 ARG 33 1HG ARG 33 6.447 6.195 -4.544 218 HG3 ARG 33 2HG ARG 33 5.160 5.769 -3.414 219 HD2 ARG 33 1HD ARG 33 4.779 8.020 -3.723 220 HD3 ARG 33 2HD ARG 33 5.788 8.026 -2.277 221 HE ARG 33 HE ARG 33 7.371 8.243 -4.622 222 HH11 ARG 33 2HH1 ARG 33 5.250 10.059 -2.542 223 HH12 ARG 33 1HH1 ARG 33 5.979 11.586 -2.915 224 HH21 ARG 33 2HH2 ARG 33 8.339 10.248 -5.120 225 HH22 ARG 33 1HH2 ARG 33 7.735 11.692 -4.382 226 H ILE 34 H ILE 34 7.720 2.654 -1.562 227 HA ILE 34 HA ILE 34 9.675 3.352 0.388 228 HB ILE 34 HB ILE 34 9.165 1.333 1.473 229 HG12 ILE 34 1HG1 ILE 34 8.011 0.305 -1.129 230 HG13 ILE 34 2HG1 ILE 34 9.580 -0.146 -0.471 231 HG21 ILE 34 1HG2 ILE 34 7.182 2.244 1.921 232 HG22 ILE 34 2HG2 ILE 34 7.005 2.843 0.272 233 HG23 ILE 34 3HG2 ILE 34 6.519 1.195 0.668 234 HD11 ILE 34 3HD1 ILE 34 6.852 -0.828 0.549 235 HD12 ILE 34 1HD1 ILE 34 8.174 -1.906 0.105 236 HD13 ILE 34 2HD1 ILE 34 8.279 -0.942 1.578 237 H HIS 35 H HIS 35 9.661 1.307 -2.467 238 HA HIS 35 HA HIS 35 12.273 0.207 -1.924 239 HB2 HIS 35 1HB HIS 35 10.659 0.098 -4.479 240 HB3 HIS 35 2HB HIS 35 12.039 -0.914 -4.067 241 HD1 HIS 35 1HD HIS 35 11.514 -2.234 -1.585 242 HD2 HIS 35 2HD HIS 35 8.359 -1.246 -4.101 243 HE1 HIS 35 1HE HIS 35 9.617 -3.740 -0.908 244 H THR 36 H THR 36 10.897 2.520 -4.245 245 HA THR 36 HA THR 36 13.383 3.143 -5.473 246 HB THR 36 HB THR 36 12.200 5.059 -6.475 247 HG1 THR 36 1HG THR 36 9.780 4.300 -5.308 248 HG21 THR 36 3HG2 THR 36 11.959 2.685 -7.332 249 HG22 THR 36 1HG2 THR 36 10.689 3.810 -7.811 250 HG23 THR 36 2HG2 THR 36 10.395 2.647 -6.518 251 H GLY 37 H GLY 37 14.917 3.738 -3.972 252 HA2 GLY 37 1HA GLY 37 15.755 6.061 -3.332 253 HA3 GLY 37 2HA GLY 37 14.310 6.114 -2.333 254 H GLU 38 H GLU 38 15.310 6.256 -0.364 255 HA GLU 38 HA GLU 38 17.355 4.326 0.359 256 HB2 GLU 38 1HB GLU 38 17.357 6.791 1.037 257 HB3 GLU 38 2HB GLU 38 16.090 6.367 2.179 258 HG2 GLU 38 1HG GLU 38 18.020 6.281 3.452 259 HG3 GLU 38 2HG GLU 38 17.729 4.593 3.036 260 H LYS 39 H LYS 39 17.034 2.521 1.498 261 HA LYS 39 HA LYS 39 14.387 2.114 2.730 262 HB2 LYS 39 1HB LYS 39 14.685 -0.307 2.223 263 HB3 LYS 39 2HB LYS 39 14.558 0.702 0.789 264 HG2 LYS 39 1HG LYS 39 17.256 0.032 1.860 265 HG3 LYS 39 2HG LYS 39 16.360 -1.178 0.939 266 HD2 LYS 39 1HD LYS 39 16.604 1.586 -0.156 267 HD3 LYS 39 2HD LYS 39 17.991 0.498 -0.261 268 HE2 LYS 39 1HE LYS 39 15.224 -0.199 -1.232 269 HE3 LYS 39 2HE LYS 39 16.484 0.481 -2.261 270 HZ1 LYS 39 3HZ LYS 39 17.850 -1.428 -1.867 271 HZ2 LYS 39 1HZ LYS 39 16.329 -1.962 -2.379 272 HZ3 LYS 39 2HZ LYS 39 16.752 -2.057 -0.745 273 HA PRO 40 HA PRO 40 16.382 1.263 6.547 274 HB2 PRO 40 1HB PRO 40 14.697 -0.575 7.620 275 HB3 PRO 40 2HB PRO 40 14.285 1.138 7.477 276 HG2 PRO 40 1HG PRO 40 13.498 -1.152 5.717 277 HG3 PRO 40 2HG PRO 40 12.509 0.196 6.309 278 HD2 PRO 40 1HD PRO 40 13.548 0.139 3.809 279 HD3 PRO 40 2HD PRO 40 13.309 1.650 4.710 280 H SER 41 H SER 41 17.424 -0.415 7.823 281 HA SER 41 HA SER 41 18.041 -2.839 6.265 282 HB2 SER 41 1HB SER 41 20.353 -2.714 7.054 283 HB3 SER 41 2HB SER 41 19.922 -1.235 6.197 284 HG SER 41 HG SER 41 19.300 -0.759 8.666 285 H GLY 42 H GLY 42 19.229 -4.485 7.773 286 HA2 GLY 42 1HA GLY 42 19.392 -5.249 10.104 287 HA3 GLY 42 2HA GLY 42 17.806 -4.539 10.363 288 HA PRO 43 HA PRO 43 16.064 -8.510 9.661 289 HB2 PRO 43 1HB PRO 43 13.535 -7.771 9.006 290 HB3 PRO 43 2HB PRO 43 14.163 -7.690 10.656 291 HG2 PRO 43 1HG PRO 43 13.883 -5.508 8.626 292 HG3 PRO 43 2HG PRO 43 13.513 -5.477 10.360 293 HD2 PRO 43 1HD PRO 43 15.793 -4.433 9.338 294 HD3 PRO 43 2HD PRO 43 15.718 -5.166 10.954 295 H SER 44 H SER 44 15.220 -9.874 8.007 296 HA SER 44 HA SER 44 15.506 -8.768 5.289 297 HB2 SER 44 1HB SER 44 16.184 -11.558 6.252 298 HB3 SER 44 2HB SER 44 16.306 -10.996 4.585 299 HG SER 44 HG SER 44 17.734 -9.299 5.584 300 H SER 45 H SER 45 13.598 -8.634 4.327 301 HA SER 45 HA SER 45 11.581 -10.705 4.893 302 HB2 SER 45 1HB SER 45 9.874 -9.075 4.360 303 HB3 SER 45 2HB SER 45 10.971 -8.369 5.547 304 HG SER 45 HG SER 45 11.909 -7.155 3.945 305 H GLY 46 H GLY 46 10.549 -11.737 3.219 306 HA2 GLY 46 1HA GLY 46 10.111 -12.419 1.058 307 HA3 GLY 46 2HA GLY 46 10.833 -10.921 0.490 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -15.910 -21.317 -18.324 2 HA2 GLY 1 1HA GLY 1 -14.189 -20.987 -16.724 3 HA3 GLY 1 2HA GLY 1 -13.494 -19.754 -17.765 4 H SER 2 H SER 2 -16.802 -20.150 -16.529 5 HA SER 2 HA SER 2 -16.703 -17.381 -15.587 6 HB2 SER 2 1HB SER 2 -18.597 -18.491 -17.060 7 HB3 SER 2 2HB SER 2 -19.198 -19.027 -15.492 8 HG SER 2 HG SER 2 -18.983 -16.726 -14.882 9 H SER 3 H SER 3 -15.798 -17.317 -13.607 10 HA SER 3 HA SER 3 -17.268 -18.310 -11.382 11 HB2 SER 3 1HB SER 3 -15.796 -19.943 -10.512 12 HB3 SER 3 2HB SER 3 -15.953 -20.350 -12.221 13 HG SER 3 HG SER 3 -13.755 -20.308 -11.333 14 H GLY 4 H GLY 4 -16.405 -17.583 -9.341 15 HA2 GLY 4 1HA GLY 4 -15.360 -16.062 -7.975 16 HA3 GLY 4 2HA GLY 4 -14.014 -16.102 -9.104 17 H SER 5 H SER 5 -17.382 -15.022 -9.485 18 HA SER 5 HA SER 5 -16.414 -12.571 -10.723 19 HB2 SER 5 1HB SER 5 -18.772 -12.199 -11.328 20 HB3 SER 5 2HB SER 5 -18.232 -13.802 -11.825 21 HG SER 5 HG SER 5 -19.140 -14.285 -9.522 22 H SER 6 H SER 6 -15.536 -11.683 -8.747 23 HA SER 6 HA SER 6 -17.616 -10.546 -6.993 24 HB2 SER 6 1HB SER 6 -16.094 -12.173 -5.859 25 HB3 SER 6 2HB SER 6 -14.737 -11.115 -6.247 26 HG SER 6 HG SER 6 -15.833 -9.468 -5.038 27 H GLY 7 H GLY 7 -17.943 -8.515 -7.656 28 HA2 GLY 7 1HA GLY 7 -16.409 -6.856 -9.147 29 HA3 GLY 7 2HA GLY 7 -17.469 -6.262 -7.878 30 H THR 8 H THR 8 -16.584 -5.958 -5.749 31 HA THR 8 HA THR 8 -13.708 -5.347 -5.848 32 HB THR 8 HB THR 8 -15.817 -4.218 -3.996 33 HG1 THR 8 1HG THR 8 -14.426 -2.786 -6.001 34 HG21 THR 8 3HG2 THR 8 -14.198 -3.012 -2.941 35 HG22 THR 8 1HG2 THR 8 -13.172 -2.930 -4.372 36 HG23 THR 8 2HG2 THR 8 -13.217 -4.403 -3.402 37 H GLY 9 H GLY 9 -12.386 -6.619 -4.733 38 HA2 GLY 9 1HA GLY 9 -12.988 -7.496 -2.077 39 HA3 GLY 9 2HA GLY 9 -13.091 -8.812 -3.237 40 H GLU 10 H GLU 10 -11.209 -9.507 -4.314 41 HA GLU 10 HA GLU 10 -8.846 -9.347 -2.743 42 HB2 GLU 10 1HB GLU 10 -9.539 -10.609 -5.376 43 HB3 GLU 10 2HB GLU 10 -7.867 -10.553 -4.834 44 HG2 GLU 10 1HG GLU 10 -8.512 -11.737 -2.781 45 HG3 GLU 10 2HG GLU 10 -10.168 -11.833 -3.376 46 H LYS 11 H LYS 11 -6.675 -8.982 -4.010 47 HA LYS 11 HA LYS 11 -6.889 -6.355 -5.326 48 HB2 LYS 11 1HB LYS 11 -4.514 -7.427 -3.799 49 HB3 LYS 11 2HB LYS 11 -4.735 -5.791 -4.407 50 HG2 LYS 11 1HG LYS 11 -6.154 -5.206 -2.723 51 HG3 LYS 11 2HG LYS 11 -6.746 -6.853 -2.498 52 HD2 LYS 11 1HD LYS 11 -4.905 -7.473 -1.219 53 HD3 LYS 11 2HD LYS 11 -3.910 -6.152 -1.835 54 HE2 LYS 11 1HE LYS 11 -4.433 -5.461 0.321 55 HE3 LYS 11 2HE LYS 11 -5.623 -4.617 -0.669 56 HZ1 LYS 11 3HZ LYS 11 -6.807 -7.003 -0.058 57 HZ2 LYS 11 1HZ LYS 11 -7.140 -5.509 0.663 58 HZ3 LYS 11 2HZ LYS 11 -6.028 -6.563 1.378 59 HA PRO 12 HA PRO 12 -5.316 -8.744 -8.795 60 HB2 PRO 12 1HB PRO 12 -5.677 -6.764 -10.616 61 HB3 PRO 12 2HB PRO 12 -6.993 -7.797 -10.048 62 HG2 PRO 12 1HG PRO 12 -6.252 -5.028 -9.186 63 HG3 PRO 12 2HG PRO 12 -7.858 -5.706 -9.510 64 HD2 PRO 12 1HD PRO 12 -6.881 -5.407 -7.002 65 HD3 PRO 12 2HD PRO 12 -7.980 -6.729 -7.448 66 H TYR 13 H TYR 13 -4.387 -5.459 -7.890 67 HA TYR 13 HA TYR 13 -1.943 -5.547 -9.418 68 HB2 TYR 13 1HB TYR 13 -2.628 -3.539 -7.278 69 HB3 TYR 13 2HB TYR 13 -1.559 -3.333 -8.660 70 HD1 TYR 13 2HD TYR 13 -5.061 -3.472 -7.562 71 HD2 TYR 13 1HD TYR 13 -2.436 -2.804 -10.843 72 HE1 TYR 13 2HE TYR 13 -6.926 -2.520 -8.853 73 HE2 TYR 13 1HE TYR 13 -4.293 -1.850 -12.143 74 HH TYR 13 HH TYR 13 -6.444 -0.851 -11.819 75 H ARG 14 H ARG 14 -0.093 -6.411 -8.770 76 HA ARG 14 HA ARG 14 0.413 -6.673 -5.882 77 HB2 ARG 14 1HB ARG 14 -0.217 -8.816 -7.321 78 HB3 ARG 14 2HB ARG 14 1.487 -8.734 -7.750 79 HG2 ARG 14 1HG ARG 14 2.153 -8.977 -5.481 80 HG3 ARG 14 2HG ARG 14 0.495 -8.775 -4.912 81 HD2 ARG 14 1HD ARG 14 1.289 -11.011 -6.754 82 HD3 ARG 14 2HD ARG 14 1.436 -11.150 -5.002 83 HE ARG 14 HE ARG 14 -1.171 -10.312 -5.842 84 HH11 ARG 14 2HH1 ARG 14 0.904 -13.064 -5.354 85 HH12 ARG 14 1HH1 ARG 14 -0.405 -14.176 -5.125 86 HH21 ARG 14 2HH2 ARG 14 -2.903 -11.766 -5.542 87 HH22 ARG 14 1HH2 ARG 14 -2.570 -13.436 -5.233 88 H CYS 15 H CYS 15 2.202 -5.659 -5.286 89 HA CYS 15 HA CYS 15 3.910 -4.265 -6.919 90 HB2 CYS 15 1HB CYS 15 3.970 -3.776 -4.607 91 HB3 CYS 15 2HB CYS 15 4.326 -5.447 -4.179 92 H GLY 16 H GLY 16 6.078 -4.600 -7.624 93 HA2 GLY 16 1HA GLY 16 6.581 -7.402 -8.341 94 HA3 GLY 16 2HA GLY 16 7.264 -5.997 -9.145 95 H GLU 17 H GLU 17 8.011 -4.708 -6.619 96 HA GLU 17 HA GLU 17 10.625 -5.718 -6.383 97 HB2 GLU 17 1HB GLU 17 9.613 -3.374 -5.783 98 HB3 GLU 17 2HB GLU 17 9.375 -4.096 -4.198 99 HG2 GLU 17 1HG GLU 17 11.508 -2.766 -4.584 100 HG3 GLU 17 2HG GLU 17 11.661 -4.355 -3.837 101 H CYS 18 H CYS 18 8.196 -5.583 -3.775 102 HA CYS 18 HA CYS 18 9.490 -7.857 -2.490 103 HB2 CYS 18 1HB CYS 18 8.032 -7.334 -0.578 104 HB3 CYS 18 2HB CYS 18 8.945 -5.922 -1.100 105 H GLY 19 H GLY 19 6.334 -6.933 -3.808 106 HA2 GLY 19 1HA GLY 19 5.171 -8.697 -5.083 107 HA3 GLY 19 2HA GLY 19 5.607 -9.798 -3.785 108 H LYS 20 H LYS 20 4.716 -6.666 -2.771 109 HA LYS 20 HA LYS 20 2.544 -7.580 -1.239 110 HB2 LYS 20 1HB LYS 20 3.714 -4.940 -1.921 111 HB3 LYS 20 2HB LYS 20 2.054 -4.938 -1.340 112 HG2 LYS 20 1HG LYS 20 3.058 -6.463 0.550 113 HG3 LYS 20 2HG LYS 20 4.562 -5.669 0.078 114 HD2 LYS 20 1HD LYS 20 3.683 -4.337 1.804 115 HD3 LYS 20 2HD LYS 20 3.288 -3.475 0.316 116 HE2 LYS 20 1HE LYS 20 1.030 -4.349 0.374 117 HE3 LYS 20 2HE LYS 20 1.413 -5.317 1.797 118 HZ1 LYS 20 3HZ LYS 20 1.926 -2.470 2.033 119 HZ2 LYS 20 1HZ LYS 20 1.252 -3.547 3.151 120 HZ3 LYS 20 2HZ LYS 20 0.296 -2.907 1.911 121 H ALA 21 H ALA 21 0.390 -6.109 -1.460 122 HA ALA 21 HA ALA 21 -0.516 -6.057 -4.232 123 HB1 ALA 21 3HB ALA 21 -1.028 -8.319 -3.549 124 HB2 ALA 21 1HB ALA 21 -1.855 -7.726 -2.108 125 HB3 ALA 21 2HB ALA 21 -2.520 -7.392 -3.707 126 H PHE 22 H PHE 22 -2.585 -4.969 -4.498 127 HA PHE 22 HA PHE 22 -3.699 -3.538 -2.259 128 HB2 PHE 22 1HB PHE 22 -2.408 -1.947 -4.482 129 HB3 PHE 22 2HB PHE 22 -3.234 -1.304 -3.067 130 HD1 PHE 22 1HD PHE 22 -0.303 -3.343 -4.085 131 HD2 PHE 22 2HD PHE 22 -2.046 -0.824 -1.130 132 HE1 PHE 22 1HE PHE 22 1.832 -3.304 -2.864 133 HE2 PHE 22 2HE PHE 22 0.087 -0.780 0.095 134 HZ PHE 22 HZ PHE 22 2.030 -2.020 -0.772 135 H ALA 23 H ALA 23 -5.787 -2.994 -2.610 136 HA ALA 23 HA ALA 23 -7.176 -4.080 -4.787 137 HB1 ALA 23 3HB ALA 23 -7.834 -2.849 -2.349 138 HB2 ALA 23 1HB ALA 23 -8.677 -1.945 -3.608 139 HB3 ALA 23 2HB ALA 23 -8.913 -3.688 -3.464 140 H GLN 24 H GLN 24 -6.043 -0.793 -4.158 141 HA GLN 24 HA GLN 24 -6.824 -0.074 -6.906 142 HB2 GLN 24 1HB GLN 24 -6.791 1.522 -4.369 143 HB3 GLN 24 2HB GLN 24 -6.619 2.333 -5.919 144 HG2 GLN 24 1HG GLN 24 -8.867 2.468 -5.688 145 HG3 GLN 24 2HG GLN 24 -8.764 0.905 -6.497 146 HE21 GLN 24 1HE2 GLN 24 -8.785 2.341 -3.260 147 HE22 GLN 24 2HE2 GLN 24 -9.696 1.077 -2.515 148 H LYS 25 H LYS 25 -5.383 1.209 -8.129 149 HA LYS 25 HA LYS 25 -2.664 0.524 -7.850 150 HB2 LYS 25 1HB LYS 25 -4.233 2.326 -9.630 151 HB3 LYS 25 2HB LYS 25 -2.489 2.546 -9.576 152 HG2 LYS 25 1HG LYS 25 -3.876 -0.051 -10.205 153 HG3 LYS 25 2HG LYS 25 -3.224 1.069 -11.403 154 HD2 LYS 25 1HD LYS 25 -1.728 -0.539 -9.346 155 HD3 LYS 25 2HD LYS 25 -1.578 -0.604 -11.104 156 HE2 LYS 25 1HE LYS 25 -0.948 1.949 -10.767 157 HE3 LYS 25 2HE LYS 25 -0.487 1.369 -9.167 158 HZ1 LYS 25 3HZ LYS 25 0.449 -0.043 -11.577 159 HZ2 LYS 25 1HZ LYS 25 1.142 0.011 -10.034 160 HZ3 LYS 25 2HZ LYS 25 1.244 1.356 -11.055 161 H ALA 26 H ALA 26 -4.327 3.640 -7.383 162 HA ALA 26 HA ALA 26 -2.248 5.255 -6.677 163 HB1 ALA 26 3HB ALA 26 -4.602 5.973 -6.850 164 HB2 ALA 26 1HB ALA 26 -4.925 5.215 -5.291 165 HB3 ALA 26 2HB ALA 26 -3.810 6.578 -5.395 166 H ASN 27 H ASN 27 -3.686 2.697 -4.774 167 HA ASN 27 HA ASN 27 -2.348 3.428 -2.337 168 HB2 ASN 27 1HB ASN 27 -4.551 2.016 -2.731 169 HB3 ASN 27 2HB ASN 27 -3.413 0.674 -2.794 170 HD21 ASN 27 1HD2 ASN 27 -3.499 3.629 -0.840 171 HD22 ASN 27 2HD2 ASN 27 -3.469 2.823 0.688 172 H LEU 28 H LEU 28 -1.693 1.374 -5.073 173 HA LEU 28 HA LEU 28 0.496 -0.004 -3.790 174 HB2 LEU 28 1HB LEU 28 -0.488 -1.360 -5.357 175 HB3 LEU 28 2HB LEU 28 -0.772 -0.033 -6.482 176 HG LEU 28 HG LEU 28 1.708 -0.031 -6.931 177 HD11 LEU 28 1HD1 LEU 28 3.084 -1.744 -6.198 178 HD12 LEU 28 2HD1 LEU 28 1.730 -2.783 -5.759 179 HD13 LEU 28 3HD1 LEU 28 2.121 -1.379 -4.766 180 HD21 LEU 28 3HD2 LEU 28 1.590 -2.107 -8.339 181 HD22 LEU 28 1HD2 LEU 28 0.253 -0.977 -8.555 182 HD23 LEU 28 2HD2 LEU 28 0.025 -2.439 -7.594 183 H THR 29 H THR 29 0.193 2.312 -6.481 184 HA THR 29 HA THR 29 2.824 2.718 -7.099 185 HB THR 29 HB THR 29 0.585 4.740 -6.998 186 HG1 THR 29 1HG THR 29 0.353 3.070 -8.537 187 HG21 THR 29 3HG2 THR 29 1.987 6.155 -8.441 188 HG22 THR 29 1HG2 THR 29 3.329 5.033 -8.227 189 HG23 THR 29 2HG2 THR 29 2.705 5.935 -6.846 190 H GLN 30 H GLN 30 1.015 4.135 -4.414 191 HA GLN 30 HA GLN 30 3.090 5.864 -3.543 192 HB2 GLN 30 1HB GLN 30 1.753 6.262 -1.619 193 HB3 GLN 30 2HB GLN 30 0.641 6.060 -2.966 194 HG2 GLN 30 1HG GLN 30 -0.040 3.948 -2.244 195 HG3 GLN 30 2HG GLN 30 1.348 3.771 -1.171 196 HE21 GLN 30 1HE2 GLN 30 0.997 4.121 0.898 197 HE22 GLN 30 2HE2 GLN 30 -0.310 5.029 1.570 198 H HIS 31 H HIS 31 2.412 2.501 -3.066 199 HA HIS 31 HA HIS 31 4.054 2.175 -0.741 200 HB2 HIS 31 1HB HIS 31 2.542 0.458 -0.822 201 HB3 HIS 31 2HB HIS 31 2.555 0.385 -2.582 202 HD1 HIS 31 1HD HIS 31 4.186 -1.032 0.438 203 HD2 HIS 31 2HD HIS 31 4.600 -1.229 -3.691 204 HE1 HIS 31 1HE HIS 31 5.705 -2.989 0.007 205 H GLN 32 H GLN 32 4.478 1.665 -4.215 206 HA GLN 32 HA GLN 32 6.922 0.391 -4.250 207 HB2 GLN 32 1HB GLN 32 6.142 2.579 -6.176 208 HB3 GLN 32 2HB GLN 32 7.207 1.213 -6.481 209 HG2 GLN 32 1HG GLN 32 5.100 -0.205 -5.923 210 HG3 GLN 32 2HG GLN 32 4.234 1.288 -6.283 211 HE21 GLN 32 1HE2 GLN 32 3.701 -0.830 -7.813 212 HE22 GLN 32 2HE2 GLN 32 4.394 -0.655 -9.386 213 H ARG 33 H ARG 33 6.196 3.715 -3.516 214 HA ARG 33 HA ARG 33 8.663 4.921 -3.908 215 HB2 ARG 33 1HB ARG 33 6.836 5.521 -1.583 216 HB3 ARG 33 2HB ARG 33 7.944 6.622 -2.391 217 HG2 ARG 33 1HG ARG 33 6.493 6.172 -4.482 218 HG3 ARG 33 2HG ARG 33 5.300 5.588 -3.320 219 HD2 ARG 33 1HD ARG 33 6.589 8.217 -2.807 220 HD3 ARG 33 2HD ARG 33 5.385 8.121 -4.092 221 HE ARG 33 HE ARG 33 4.134 6.933 -2.024 222 HH11 ARG 33 2HH1 ARG 33 5.826 9.960 -2.337 223 HH12 ARG 33 1HH1 ARG 33 4.867 10.769 -1.142 224 HH21 ARG 33 2HH2 ARG 33 2.865 7.987 -0.449 225 HH22 ARG 33 1HH2 ARG 33 3.183 9.645 -0.068 226 H ILE 34 H ILE 34 7.660 2.663 -1.485 227 HA ILE 34 HA ILE 34 9.638 3.215 0.462 228 HB ILE 34 HB ILE 34 8.997 1.243 1.535 229 HG12 ILE 34 1HG1 ILE 34 7.980 0.213 -1.124 230 HG13 ILE 34 2HG1 ILE 34 9.474 -0.286 -0.338 231 HG21 ILE 34 1HG2 ILE 34 6.974 2.854 0.314 232 HG22 ILE 34 2HG2 ILE 34 6.388 1.199 0.479 233 HG23 ILE 34 3HG2 ILE 34 6.971 2.073 1.896 234 HD11 ILE 34 3HD1 ILE 34 7.853 -1.965 0.061 235 HD12 ILE 34 1HD1 ILE 34 8.089 -1.096 1.577 236 HD13 ILE 34 2HD1 ILE 34 6.661 -0.778 0.591 237 H HIS 35 H HIS 35 9.685 1.482 -2.537 238 HA HIS 35 HA HIS 35 12.227 0.193 -1.921 239 HB2 HIS 35 1HB HIS 35 10.571 0.108 -4.452 240 HB3 HIS 35 2HB HIS 35 11.983 -0.886 -4.107 241 HD1 HIS 35 1HD HIS 35 11.519 -2.150 -1.528 242 HD2 HIS 35 2HD HIS 35 8.363 -1.392 -4.122 243 HE1 HIS 35 1HE HIS 35 9.687 -3.729 -0.838 244 H THR 36 H THR 36 10.908 2.517 -4.265 245 HA THR 36 HA THR 36 13.531 3.144 -5.295 246 HB THR 36 HB THR 36 11.772 3.255 -6.892 247 HG1 THR 36 1HG THR 36 13.315 4.958 -7.052 248 HG21 THR 36 3HG2 THR 36 9.866 4.847 -6.617 249 HG22 THR 36 1HG2 THR 36 10.391 5.112 -4.955 250 HG23 THR 36 2HG2 THR 36 9.855 3.512 -5.466 251 H GLY 37 H GLY 37 11.106 4.723 -3.248 252 HA2 GLY 37 1HA GLY 37 13.025 6.891 -2.717 253 HA3 GLY 37 2HA GLY 37 11.295 6.967 -2.416 254 H GLU 38 H GLU 38 14.296 5.434 -1.338 255 HA GLU 38 HA GLU 38 13.074 5.121 1.325 256 HB2 GLU 38 1HB GLU 38 14.427 3.212 1.718 257 HB3 GLU 38 2HB GLU 38 13.740 3.003 0.114 258 HG2 GLU 38 1HG GLU 38 16.405 4.288 0.332 259 HG3 GLU 38 2HG GLU 38 16.288 2.552 0.613 260 H LYS 39 H LYS 39 14.757 7.294 -0.127 261 HA LYS 39 HA LYS 39 16.633 7.689 2.107 262 HB2 LYS 39 1HB LYS 39 18.205 8.756 0.532 263 HB3 LYS 39 2HB LYS 39 17.928 7.062 0.150 264 HG2 LYS 39 1HG LYS 39 16.272 7.808 -1.569 265 HG3 LYS 39 2HG LYS 39 16.800 9.465 -1.264 266 HD2 LYS 39 1HD LYS 39 18.839 9.141 -2.248 267 HD3 LYS 39 2HD LYS 39 18.880 7.422 -1.848 268 HE2 LYS 39 1HE LYS 39 17.474 6.858 -3.634 269 HE3 LYS 39 2HE LYS 39 16.925 8.520 -3.842 270 HZ1 LYS 39 3HZ LYS 39 18.458 7.929 -5.583 271 HZ2 LYS 39 1HZ LYS 39 19.638 7.479 -4.456 272 HZ3 LYS 39 2HZ LYS 39 19.170 9.099 -4.590 273 HA PRO 40 HA PRO 40 14.742 11.619 2.644 274 HB2 PRO 40 1HB PRO 40 16.814 13.018 3.703 275 HB3 PRO 40 2HB PRO 40 15.933 11.776 4.603 276 HG2 PRO 40 1HG PRO 40 18.558 11.579 3.175 277 HG3 PRO 40 2HG PRO 40 18.096 10.936 4.762 278 HD2 PRO 40 1HD PRO 40 18.185 9.397 2.535 279 HD3 PRO 40 2HD PRO 40 17.027 9.109 3.850 280 H SER 41 H SER 41 14.248 13.046 1.113 281 HA SER 41 HA SER 41 16.222 13.781 -0.891 282 HB2 SER 41 1HB SER 41 13.704 13.158 -1.281 283 HB3 SER 41 2HB SER 41 13.417 14.846 -0.857 284 HG SER 41 HG SER 41 14.793 15.448 -2.554 285 H GLY 42 H GLY 42 17.309 15.641 -0.916 286 HA2 GLY 42 1HA GLY 42 17.543 17.984 -0.674 287 HA3 GLY 42 2HA GLY 42 16.215 17.972 0.478 288 HA PRO 43 HA PRO 43 20.565 17.803 2.498 289 HB2 PRO 43 1HB PRO 43 20.986 20.447 2.947 290 HB3 PRO 43 2HB PRO 43 21.548 19.619 1.491 291 HG2 PRO 43 1HG PRO 43 19.116 21.319 1.883 292 HG3 PRO 43 2HG PRO 43 20.261 21.300 0.530 293 HD2 PRO 43 1HD PRO 43 17.854 20.066 0.418 294 HD3 PRO 43 2HD PRO 43 19.283 19.451 -0.437 295 H SER 44 H SER 44 17.474 19.129 3.032 296 HA SER 44 HA SER 44 17.880 19.879 5.780 297 HB2 SER 44 1HB SER 44 15.491 20.300 5.825 298 HB3 SER 44 2HB SER 44 16.159 20.952 4.328 299 HG SER 44 HG SER 44 14.498 19.831 3.577 300 H SER 45 H SER 45 17.731 18.628 7.527 301 HA SER 45 HA SER 45 17.129 15.805 7.168 302 HB2 SER 45 1HB SER 45 18.098 17.270 9.635 303 HB3 SER 45 2HB SER 45 18.040 15.521 9.415 304 HG SER 45 HG SER 45 20.017 15.830 8.738 305 H GLY 46 H GLY 46 15.082 15.174 7.327 306 HA2 GLY 46 1HA GLY 46 13.138 14.690 8.556 307 HA3 GLY 46 2HA GLY 46 13.527 16.010 9.650 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -2.920 -7.644 11.493 2 HA2 GLY 1 1HA GLY 1 -4.051 -7.056 13.510 3 HA3 GLY 1 2HA GLY 1 -5.237 -6.180 12.552 4 H SER 2 H SER 2 -5.402 -8.392 14.619 5 HA SER 2 HA SER 2 -6.549 -10.587 13.107 6 HB2 SER 2 1HB SER 2 -5.289 -11.218 15.049 7 HB3 SER 2 2HB SER 2 -6.197 -10.104 16.071 8 HG SER 2 HG SER 2 -7.827 -11.850 14.782 9 H SER 3 H SER 3 -7.652 -8.146 15.440 10 HA SER 3 HA SER 3 -10.428 -8.771 14.697 11 HB2 SER 3 1HB SER 3 -10.005 -8.940 17.087 12 HB3 SER 3 2HB SER 3 -9.325 -7.313 17.111 13 HG SER 3 HG SER 3 -11.880 -7.536 16.070 14 H GLY 4 H GLY 4 -11.736 -7.260 13.793 15 HA2 GLY 4 1HA GLY 4 -12.079 -4.719 13.741 16 HA3 GLY 4 2HA GLY 4 -10.454 -4.707 13.073 17 H SER 5 H SER 5 -12.424 -3.545 11.638 18 HA SER 5 HA SER 5 -13.545 -5.412 9.742 19 HB2 SER 5 1HB SER 5 -14.463 -3.409 8.647 20 HB3 SER 5 2HB SER 5 -14.795 -3.393 10.379 21 HG SER 5 HG SER 5 -12.603 -2.151 10.292 22 H SER 6 H SER 6 -12.169 -6.355 8.372 23 HA SER 6 HA SER 6 -10.686 -4.704 6.523 24 HB2 SER 6 1HB SER 6 -8.531 -5.903 6.933 25 HB3 SER 6 2HB SER 6 -9.029 -4.878 8.279 26 HG SER 6 HG SER 6 -8.438 -6.817 9.150 27 H GLY 7 H GLY 7 -10.344 -5.700 4.573 28 HA2 GLY 7 1HA GLY 7 -9.950 -7.934 3.478 29 HA3 GLY 7 2HA GLY 7 -11.375 -8.461 4.362 30 H THR 8 H THR 8 -10.234 -6.251 1.856 31 HA THR 8 HA THR 8 -12.985 -5.994 0.861 32 HB THR 8 HB THR 8 -12.066 -4.177 -0.584 33 HG1 THR 8 1HG THR 8 -9.903 -4.672 -0.695 34 HG21 THR 8 3HG2 THR 8 -12.926 -3.990 1.918 35 HG22 THR 8 1HG2 THR 8 -12.295 -2.590 1.050 36 HG23 THR 8 2HG2 THR 8 -11.266 -3.458 2.190 37 H GLY 9 H GLY 9 -13.332 -7.832 -0.316 38 HA2 GLY 9 1HA GLY 9 -12.994 -9.458 -1.930 39 HA3 GLY 9 2HA GLY 9 -12.723 -8.042 -2.935 40 H GLU 10 H GLU 10 -11.083 -8.631 -4.228 41 HA GLU 10 HA GLU 10 -8.620 -9.589 -2.924 42 HB2 GLU 10 1HB GLU 10 -9.638 -10.261 -5.691 43 HB3 GLU 10 2HB GLU 10 -8.092 -10.772 -5.029 44 HG2 GLU 10 1HG GLU 10 -9.494 -12.620 -4.784 45 HG3 GLU 10 2HG GLU 10 -9.423 -11.891 -3.180 46 H LYS 11 H LYS 11 -6.616 -9.038 -4.105 47 HA LYS 11 HA LYS 11 -6.854 -6.391 -5.378 48 HB2 LYS 11 1HB LYS 11 -4.489 -7.480 -3.842 49 HB3 LYS 11 2HB LYS 11 -4.674 -5.848 -4.471 50 HG2 LYS 11 1HG LYS 11 -6.145 -5.230 -2.827 51 HG3 LYS 11 2HG LYS 11 -6.695 -6.883 -2.546 52 HD2 LYS 11 1HD LYS 11 -4.554 -7.417 -1.491 53 HD3 LYS 11 2HD LYS 11 -3.995 -5.768 -1.783 54 HE2 LYS 11 1HE LYS 11 -5.982 -4.992 -0.429 55 HE3 LYS 11 2HE LYS 11 -6.222 -6.678 0.027 56 HZ1 LYS 11 3HZ LYS 11 -4.910 -6.003 1.732 57 HZ2 LYS 11 1HZ LYS 11 -4.112 -4.820 0.823 58 HZ3 LYS 11 2HZ LYS 11 -3.688 -6.448 0.650 59 HA PRO 12 HA PRO 12 -5.271 -8.705 -8.889 60 HB2 PRO 12 1HB PRO 12 -5.621 -6.687 -10.670 61 HB3 PRO 12 2HB PRO 12 -6.942 -7.727 -10.125 62 HG2 PRO 12 1HG PRO 12 -6.194 -4.979 -9.206 63 HG3 PRO 12 2HG PRO 12 -7.801 -5.645 -9.547 64 HD2 PRO 12 1HD PRO 12 -6.829 -5.401 -7.031 65 HD3 PRO 12 2HD PRO 12 -7.931 -6.709 -7.506 66 H TYR 13 H TYR 13 -4.349 -5.415 -7.969 67 HA TYR 13 HA TYR 13 -1.884 -5.519 -9.464 68 HB2 TYR 13 1HB TYR 13 -2.610 -3.488 -7.357 69 HB3 TYR 13 2HB TYR 13 -1.508 -3.297 -8.716 70 HD1 TYR 13 2HD TYR 13 -5.038 -3.434 -7.704 71 HD2 TYR 13 1HD TYR 13 -2.330 -2.779 -10.920 72 HE1 TYR 13 2HE TYR 13 -6.871 -2.495 -9.049 73 HE2 TYR 13 1HE TYR 13 -4.155 -1.837 -12.273 74 HH TYR 13 HH TYR 13 -6.500 -0.642 -11.622 75 H ARG 14 H ARG 14 -0.059 -6.406 -8.782 76 HA ARG 14 HA ARG 14 0.424 -6.606 -5.885 77 HB2 ARG 14 1HB ARG 14 -0.230 -8.774 -7.280 78 HB3 ARG 14 2HB ARG 14 1.481 -8.731 -7.686 79 HG2 ARG 14 1HG ARG 14 2.120 -8.959 -5.421 80 HG3 ARG 14 2HG ARG 14 0.476 -8.657 -4.856 81 HD2 ARG 14 1HD ARG 14 1.177 -10.996 -6.609 82 HD3 ARG 14 2HD ARG 14 1.275 -11.072 -4.850 83 HE ARG 14 HE ARG 14 -1.265 -10.135 -5.771 84 HH11 ARG 14 2HH1 ARG 14 0.655 -12.981 -5.190 85 HH12 ARG 14 1HH1 ARG 14 -0.714 -14.018 -4.968 86 HH21 ARG 14 2HH2 ARG 14 -3.076 -11.491 -5.480 87 HH22 ARG 14 1HH2 ARG 14 -2.836 -13.170 -5.134 88 H CYS 15 H CYS 15 2.254 -5.665 -5.284 89 HA CYS 15 HA CYS 15 3.987 -4.319 -6.946 90 HB2 CYS 15 1HB CYS 15 4.056 -3.768 -4.654 91 HB3 CYS 15 2HB CYS 15 4.348 -5.436 -4.175 92 H GLY 16 H GLY 16 6.149 -4.713 -7.635 93 HA2 GLY 16 1HA GLY 16 6.602 -7.540 -8.282 94 HA3 GLY 16 2HA GLY 16 7.316 -6.167 -9.115 95 H GLU 17 H GLU 17 8.075 -4.833 -6.616 96 HA GLU 17 HA GLU 17 10.668 -5.884 -6.342 97 HB2 GLU 17 1HB GLU 17 9.652 -3.513 -5.779 98 HB3 GLU 17 2HB GLU 17 9.471 -4.211 -4.176 99 HG2 GLU 17 1HG GLU 17 11.554 -2.929 -4.452 100 HG3 GLU 17 2HG GLU 17 11.828 -4.616 -4.020 101 H CYS 18 H CYS 18 8.224 -5.655 -3.755 102 HA CYS 18 HA CYS 18 9.473 -7.926 -2.418 103 HB2 CYS 18 1HB CYS 18 8.035 -7.333 -0.517 104 HB3 CYS 18 2HB CYS 18 8.959 -5.943 -1.075 105 H GLY 19 H GLY 19 6.319 -6.957 -3.720 106 HA2 GLY 19 1HA GLY 19 5.137 -8.735 -4.978 107 HA3 GLY 19 2HA GLY 19 5.534 -9.806 -3.643 108 H LYS 20 H LYS 20 4.711 -6.620 -2.741 109 HA LYS 20 HA LYS 20 2.509 -7.426 -1.194 110 HB2 LYS 20 1HB LYS 20 3.739 -4.841 -1.971 111 HB3 LYS 20 2HB LYS 20 2.074 -4.779 -1.408 112 HG2 LYS 20 1HG LYS 20 3.058 -6.268 0.542 113 HG3 LYS 20 2HG LYS 20 4.556 -5.466 0.065 114 HD2 LYS 20 1HD LYS 20 3.630 -4.103 1.746 115 HD3 LYS 20 2HD LYS 20 3.255 -3.284 0.228 116 HE2 LYS 20 1HE LYS 20 1.018 -3.767 0.364 117 HE3 LYS 20 2HE LYS 20 1.279 -5.222 1.324 118 HZ1 LYS 20 3HZ LYS 20 1.325 -2.406 2.233 119 HZ2 LYS 20 1HZ LYS 20 1.978 -3.661 3.161 120 HZ3 LYS 20 2HZ LYS 20 0.332 -3.665 2.773 121 H ALA 21 H ALA 21 0.355 -6.042 -1.457 122 HA ALA 21 HA ALA 21 -0.525 -5.994 -4.240 123 HB1 ALA 21 3HB ALA 21 -1.001 -8.269 -3.520 124 HB2 ALA 21 1HB ALA 21 -1.896 -7.657 -2.129 125 HB3 ALA 21 2HB ALA 21 -2.497 -7.368 -3.763 126 H PHE 22 H PHE 22 -2.644 -4.969 -4.504 127 HA PHE 22 HA PHE 22 -3.790 -3.544 -2.286 128 HB2 PHE 22 1HB PHE 22 -2.486 -1.923 -4.480 129 HB3 PHE 22 2HB PHE 22 -3.340 -1.301 -3.072 130 HD1 PHE 22 1HD PHE 22 -0.328 -3.165 -4.139 131 HD2 PHE 22 2HD PHE 22 -2.227 -0.949 -1.040 132 HE1 PHE 22 1HE PHE 22 1.789 -3.107 -2.888 133 HE2 PHE 22 2HE PHE 22 -0.112 -0.886 0.215 134 HZ PHE 22 HZ PHE 22 1.900 -1.965 -0.708 135 H ALA 23 H ALA 23 -5.871 -2.968 -2.677 136 HA ALA 23 HA ALA 23 -7.221 -4.081 -4.871 137 HB1 ALA 23 3HB ALA 23 -8.945 -2.166 -3.909 138 HB2 ALA 23 1HB ALA 23 -8.797 -3.820 -3.313 139 HB3 ALA 23 2HB ALA 23 -7.917 -2.514 -2.519 140 H GLN 24 H GLN 24 -6.033 -0.821 -4.260 141 HA GLN 24 HA GLN 24 -6.785 -0.107 -7.018 142 HB2 GLN 24 1HB GLN 24 -6.813 1.532 -4.501 143 HB3 GLN 24 2HB GLN 24 -6.684 2.302 -6.076 144 HG2 GLN 24 1HG GLN 24 -8.932 2.369 -5.819 145 HG3 GLN 24 2HG GLN 24 -8.785 0.791 -6.592 146 HE21 GLN 24 1HE2 GLN 24 -10.996 0.842 -5.430 147 HE22 GLN 24 2HE2 GLN 24 -11.014 0.132 -3.854 148 H LYS 25 H LYS 25 -5.345 1.351 -8.128 149 HA LYS 25 HA LYS 25 -2.623 0.645 -7.828 150 HB2 LYS 25 1HB LYS 25 -4.176 2.481 -9.578 151 HB3 LYS 25 2HB LYS 25 -2.444 2.758 -9.457 152 HG2 LYS 25 1HG LYS 25 -3.653 0.100 -10.174 153 HG3 LYS 25 2HG LYS 25 -3.165 1.310 -11.363 154 HD2 LYS 25 1HD LYS 25 -1.410 -0.123 -9.374 155 HD3 LYS 25 2HD LYS 25 -1.377 -0.264 -11.133 156 HE2 LYS 25 1HE LYS 25 -0.934 2.313 -11.028 157 HE3 LYS 25 2HE LYS 25 -0.412 1.955 -9.383 158 HZ1 LYS 25 3HZ LYS 25 0.677 0.168 -11.358 159 HZ2 LYS 25 1HZ LYS 25 1.455 1.006 -10.110 160 HZ3 LYS 25 2HZ LYS 25 1.143 1.779 -11.582 161 H ALA 26 H ALA 26 -4.296 3.753 -7.322 162 HA ALA 26 HA ALA 26 -2.270 5.353 -6.495 163 HB1 ALA 26 3HB ALA 26 -4.702 5.952 -6.652 164 HB2 ALA 26 1HB ALA 26 -4.909 5.245 -5.049 165 HB3 ALA 26 2HB ALA 26 -3.851 6.640 -5.269 166 H ASN 27 H ASN 27 -3.675 2.687 -4.723 167 HA ASN 27 HA ASN 27 -2.373 3.336 -2.242 168 HB2 ASN 27 1HB ASN 27 -4.539 2.043 -2.450 169 HB3 ASN 27 2HB ASN 27 -3.584 0.683 -3.033 170 HD21 ASN 27 1HD2 ASN 27 -4.878 -0.043 -0.997 171 HD22 ASN 27 2HD2 ASN 27 -3.977 -0.006 0.477 172 H LEU 28 H LEU 28 -1.714 1.307 -5.019 173 HA LEU 28 HA LEU 28 0.511 -0.040 -3.782 174 HB2 LEU 28 1HB LEU 28 -0.479 -1.358 -5.389 175 HB3 LEU 28 2HB LEU 28 -0.734 -0.006 -6.490 176 HG LEU 28 HG LEU 28 1.727 -0.007 -6.935 177 HD11 LEU 28 1HD1 LEU 28 2.213 -1.263 -4.765 178 HD12 LEU 28 2HD1 LEU 28 3.118 -1.736 -6.202 179 HD13 LEU 28 3HD1 LEU 28 1.761 -2.719 -5.653 180 HD21 LEU 28 3HD2 LEU 28 1.648 -2.170 -8.263 181 HD22 LEU 28 1HD2 LEU 28 0.364 -1.002 -8.576 182 HD23 LEU 28 2HD2 LEU 28 0.044 -2.416 -7.571 183 H THR 29 H THR 29 0.182 2.327 -6.427 184 HA THR 29 HA THR 29 2.800 2.792 -7.033 185 HB THR 29 HB THR 29 0.509 4.746 -6.884 186 HG1 THR 29 1HG THR 29 1.074 4.510 -9.300 187 HG21 THR 29 3HG2 THR 29 1.847 6.344 -8.106 188 HG22 THR 29 1HG2 THR 29 3.222 5.241 -8.115 189 HG23 THR 29 2HG2 THR 29 2.665 5.944 -6.596 190 H GLN 30 H GLN 30 0.979 4.155 -4.321 191 HA GLN 30 HA GLN 30 3.041 5.863 -3.401 192 HB2 GLN 30 1HB GLN 30 1.708 6.189 -1.460 193 HB3 GLN 30 2HB GLN 30 0.593 6.015 -2.809 194 HG2 GLN 30 1HG GLN 30 -0.161 3.966 -2.105 195 HG3 GLN 30 2HG GLN 30 1.314 3.613 -1.206 196 HE21 GLN 30 1HE2 GLN 30 1.490 4.243 0.892 197 HE22 GLN 30 2HE2 GLN 30 0.202 4.967 1.787 198 H HIS 31 H HIS 31 2.375 2.482 -2.979 199 HA HIS 31 HA HIS 31 4.049 2.117 -0.687 200 HB2 HIS 31 1HB HIS 31 2.548 0.391 -0.789 201 HB3 HIS 31 2HB HIS 31 2.542 0.357 -2.550 202 HD1 HIS 31 1HD HIS 31 4.285 -1.062 0.423 203 HD2 HIS 31 2HD HIS 31 4.514 -1.272 -3.720 204 HE1 HIS 31 1HE HIS 31 5.794 -3.013 -0.069 205 H GLN 32 H GLN 32 4.432 1.591 -4.172 206 HA GLN 32 HA GLN 32 6.910 0.383 -4.214 207 HB2 GLN 32 1HB GLN 32 5.998 2.491 -6.174 208 HB3 GLN 32 2HB GLN 32 7.150 1.196 -6.470 209 HG2 GLN 32 1HG GLN 32 5.092 -0.311 -5.795 210 HG3 GLN 32 2HG GLN 32 4.189 1.110 -6.321 211 HE21 GLN 32 1HE2 GLN 32 3.329 -0.132 -8.032 212 HE22 GLN 32 2HE2 GLN 32 4.261 -0.465 -9.448 213 H ARG 33 H ARG 33 6.100 3.702 -3.551 214 HA ARG 33 HA ARG 33 8.518 4.974 -4.014 215 HB2 ARG 33 1HB ARG 33 6.711 5.555 -1.667 216 HB3 ARG 33 2HB ARG 33 7.783 6.675 -2.496 217 HG2 ARG 33 1HG ARG 33 6.267 6.017 -4.565 218 HG3 ARG 33 2HG ARG 33 5.108 5.673 -3.280 219 HD2 ARG 33 1HD ARG 33 5.799 8.016 -2.392 220 HD3 ARG 33 2HD ARG 33 6.388 8.268 -4.035 221 HE ARG 33 HE ARG 33 3.826 7.336 -4.326 222 HH11 ARG 33 2HH1 ARG 33 5.337 10.026 -2.713 223 HH12 ARG 33 1HH1 ARG 33 3.965 11.069 -2.887 224 HH21 ARG 33 2HH2 ARG 33 2.013 8.700 -4.561 225 HH22 ARG 33 1HH2 ARG 33 2.074 10.314 -3.937 226 H ILE 34 H ILE 34 7.730 2.617 -1.658 227 HA ILE 34 HA ILE 34 9.712 3.304 0.277 228 HB ILE 34 HB ILE 34 9.167 1.319 1.391 229 HG12 ILE 34 1HG1 ILE 34 8.038 0.248 -1.204 230 HG13 ILE 34 2HG1 ILE 34 9.593 -0.201 -0.512 231 HG21 ILE 34 1HG2 ILE 34 6.520 1.203 0.487 232 HG22 ILE 34 2HG2 ILE 34 7.158 2.155 1.827 233 HG23 ILE 34 3HG2 ILE 34 7.050 2.863 0.215 234 HD11 ILE 34 3HD1 ILE 34 8.318 -1.002 1.509 235 HD12 ILE 34 1HD1 ILE 34 6.851 -0.797 0.551 236 HD13 ILE 34 2HD1 ILE 34 8.096 -1.932 0.027 237 H HIS 35 H HIS 35 9.658 1.353 -2.623 238 HA HIS 35 HA HIS 35 12.272 0.209 -2.088 239 HB2 HIS 35 1HB HIS 35 10.574 0.015 -4.584 240 HB3 HIS 35 2HB HIS 35 11.980 -0.972 -4.195 241 HD1 HIS 35 1HD HIS 35 11.569 -2.251 -1.682 242 HD2 HIS 35 2HD HIS 35 8.295 -1.318 -4.064 243 HE1 HIS 35 1HE HIS 35 9.712 -3.751 -0.891 244 H THR 36 H THR 36 11.870 3.143 -2.422 245 HA THR 36 HA THR 36 13.885 3.532 -4.529 246 HB THR 36 HB THR 36 12.833 5.630 -5.212 247 HG1 THR 36 1HG THR 36 10.545 4.952 -3.694 248 HG21 THR 36 3HG2 THR 36 10.568 4.546 -6.008 249 HG22 THR 36 1HG2 THR 36 11.301 3.075 -5.370 250 HG23 THR 36 2HG2 THR 36 12.112 3.983 -6.646 251 H GLY 37 H GLY 37 15.249 5.386 -4.242 252 HA2 GLY 37 1HA GLY 37 16.522 6.846 -3.008 253 HA3 GLY 37 2HA GLY 37 15.106 7.096 -1.998 254 H GLU 38 H GLU 38 16.256 7.147 -0.076 255 HA GLU 38 HA GLU 38 17.634 4.657 0.673 256 HB2 GLU 38 1HB GLU 38 17.977 7.512 1.511 257 HB3 GLU 38 2HB GLU 38 18.455 6.225 2.608 258 HG2 GLU 38 1HG GLU 38 19.494 6.681 -0.179 259 HG3 GLU 38 2HG GLU 38 20.353 6.982 1.331 260 H LYS 39 H LYS 39 17.202 3.684 2.673 261 HA LYS 39 HA LYS 39 14.701 4.558 3.965 262 HB2 LYS 39 1HB LYS 39 14.140 2.223 4.359 263 HB3 LYS 39 2HB LYS 39 14.372 2.508 2.640 264 HG2 LYS 39 1HG LYS 39 15.537 0.573 2.855 265 HG3 LYS 39 2HG LYS 39 16.831 1.720 3.208 266 HD2 LYS 39 1HD LYS 39 16.339 1.454 5.625 267 HD3 LYS 39 2HD LYS 39 15.150 0.216 5.213 268 HE2 LYS 39 1HE LYS 39 16.842 -1.204 4.304 269 HE3 LYS 39 2HE LYS 39 18.055 0.069 4.427 270 HZ1 LYS 39 3HZ LYS 39 17.131 -1.774 6.425 271 HZ2 LYS 39 1HZ LYS 39 17.148 -0.171 6.967 272 HZ3 LYS 39 2HZ LYS 39 18.562 -0.875 6.364 273 HA PRO 40 HA PRO 40 16.860 4.638 7.788 274 HB2 PRO 40 1HB PRO 40 14.864 3.994 9.512 275 HB3 PRO 40 2HB PRO 40 14.961 5.559 8.697 276 HG2 PRO 40 1HG PRO 40 13.308 3.161 8.003 277 HG3 PRO 40 2HG PRO 40 12.848 4.874 8.008 278 HD2 PRO 40 1HD PRO 40 13.485 3.544 5.737 279 HD3 PRO 40 2HD PRO 40 13.824 5.272 5.958 280 H SER 41 H SER 41 17.991 3.306 9.130 281 HA SER 41 HA SER 41 17.623 0.433 8.728 282 HB2 SER 41 1HB SER 41 19.873 0.168 9.514 283 HB3 SER 41 2HB SER 41 19.874 1.526 8.389 284 HG SER 41 HG SER 41 19.723 2.900 10.266 285 H GLY 42 H GLY 42 16.483 -0.669 10.169 286 HA2 GLY 42 1HA GLY 42 15.478 -1.285 12.141 287 HA3 GLY 42 2HA GLY 42 16.994 -0.799 12.886 288 HA PRO 43 HA PRO 43 13.845 2.915 13.038 289 HB2 PRO 43 1HB PRO 43 11.243 2.140 13.006 290 HB3 PRO 43 2HB PRO 43 12.133 2.575 11.543 291 HG2 PRO 43 1HG PRO 43 11.525 -0.137 12.654 292 HG3 PRO 43 2HG PRO 43 11.445 0.428 10.975 293 HD2 PRO 43 1HD PRO 43 13.527 -1.018 11.927 294 HD3 PRO 43 2HD PRO 43 13.718 0.212 10.661 295 H SER 44 H SER 44 12.969 -0.233 14.396 296 HA SER 44 HA SER 44 12.178 -0.827 16.470 297 HB2 SER 44 1HB SER 44 14.651 -0.483 16.757 298 HB3 SER 44 2HB SER 44 14.301 1.136 17.363 299 HG SER 44 HG SER 44 13.503 0.310 19.170 300 H SER 45 H SER 45 10.450 0.994 15.466 301 HA SER 45 HA SER 45 8.872 2.555 15.986 302 HB2 SER 45 1HB SER 45 9.478 1.323 18.667 303 HB3 SER 45 2HB SER 45 8.248 2.573 18.487 304 HG SER 45 HG SER 45 8.295 -0.044 17.475 305 H GLY 46 H GLY 46 11.396 3.650 15.605 306 HA2 GLY 46 1HA GLY 46 12.135 5.408 17.730 307 HA3 GLY 46 2HA GLY 46 12.699 5.492 16.067 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.194 -1.732 6.757 2 HA2 GLY 1 1HA GLY 1 -11.957 0.476 8.554 3 HA3 GLY 1 2HA GLY 1 -11.829 -1.164 9.174 4 H SER 2 H SER 2 -9.768 -2.157 9.291 5 HA SER 2 HA SER 2 -7.549 -0.218 9.275 6 HB2 SER 2 1HB SER 2 -8.388 -1.335 11.488 7 HB3 SER 2 2HB SER 2 -7.497 -2.740 10.903 8 HG SER 2 HG SER 2 -5.624 -1.545 10.923 9 H SER 3 H SER 3 -5.426 -1.042 8.750 10 HA SER 3 HA SER 3 -5.555 -2.964 6.575 11 HB2 SER 3 1HB SER 3 -3.301 -1.205 7.567 12 HB3 SER 3 2HB SER 3 -3.197 -2.263 6.160 13 HG SER 3 HG SER 3 -3.982 -0.617 5.123 14 H GLY 4 H GLY 4 -3.697 -4.545 6.370 15 HA2 GLY 4 1HA GLY 4 -2.123 -6.003 7.406 16 HA3 GLY 4 2HA GLY 4 -2.807 -5.581 8.969 17 H SER 5 H SER 5 -5.138 -6.282 9.274 18 HA SER 5 HA SER 5 -5.278 -9.094 8.850 19 HB2 SER 5 1HB SER 5 -6.227 -8.275 10.871 20 HB3 SER 5 2HB SER 5 -7.211 -7.089 10.014 21 HG SER 5 HG SER 5 -7.588 -9.768 9.359 22 H SER 6 H SER 6 -5.222 -9.256 6.551 23 HA SER 6 HA SER 6 -6.674 -8.145 4.609 24 HB2 SER 6 1HB SER 6 -5.165 -10.057 4.240 25 HB3 SER 6 2HB SER 6 -6.367 -11.140 4.944 26 HG SER 6 HG SER 6 -7.587 -10.961 3.191 27 H GLY 7 H GLY 7 -8.740 -7.933 3.959 28 HA2 GLY 7 1HA GLY 7 -10.789 -9.350 5.548 29 HA3 GLY 7 2HA GLY 7 -10.986 -7.715 4.933 30 H THR 8 H THR 8 -12.579 -7.791 3.487 31 HA THR 8 HA THR 8 -12.805 -10.074 1.685 32 HB THR 8 HB THR 8 -14.942 -9.026 0.974 33 HG1 THR 8 1HG THR 8 -13.945 -6.856 1.933 34 HG21 THR 8 3HG2 THR 8 -15.708 -8.977 3.646 35 HG22 THR 8 1HG2 THR 8 -14.301 -10.039 3.614 36 HG23 THR 8 2HG2 THR 8 -15.690 -10.384 2.583 37 H GLY 9 H GLY 9 -13.017 -9.804 -0.608 38 HA2 GLY 9 1HA GLY 9 -12.682 -8.733 -2.651 39 HA3 GLY 9 2HA GLY 9 -12.255 -7.265 -1.783 40 H GLU 10 H GLU 10 -11.044 -9.316 -3.908 41 HA GLU 10 HA GLU 10 -8.409 -9.654 -2.712 42 HB2 GLU 10 1HB GLU 10 -9.636 -10.581 -5.304 43 HB3 GLU 10 2HB GLU 10 -7.922 -10.763 -4.960 44 HG2 GLU 10 1HG GLU 10 -10.004 -11.820 -3.087 45 HG3 GLU 10 2HG GLU 10 -9.477 -12.741 -4.494 46 H LYS 11 H LYS 11 -6.481 -9.052 -4.007 47 HA LYS 11 HA LYS 11 -6.913 -6.471 -5.364 48 HB2 LYS 11 1HB LYS 11 -4.460 -7.365 -3.839 49 HB3 LYS 11 2HB LYS 11 -4.720 -5.784 -4.564 50 HG2 LYS 11 1HG LYS 11 -6.255 -5.151 -2.953 51 HG3 LYS 11 2HG LYS 11 -6.611 -6.818 -2.494 52 HD2 LYS 11 1HD LYS 11 -4.726 -7.002 -1.188 53 HD3 LYS 11 2HD LYS 11 -3.847 -5.769 -2.095 54 HE2 LYS 11 1HE LYS 11 -4.306 -4.641 -0.146 55 HE3 LYS 11 2HE LYS 11 -5.689 -4.179 -1.137 56 HZ1 LYS 11 3HZ LYS 11 -5.959 -6.583 0.497 57 HZ2 LYS 11 1HZ LYS 11 -7.109 -5.404 0.108 58 HZ3 LYS 11 2HZ LYS 11 -5.958 -5.099 1.309 59 HA PRO 12 HA PRO 12 -5.299 -8.749 -8.863 60 HB2 PRO 12 1HB PRO 12 -5.641 -6.732 -10.648 61 HB3 PRO 12 2HB PRO 12 -6.967 -7.762 -10.096 62 HG2 PRO 12 1HG PRO 12 -6.196 -5.016 -9.186 63 HG3 PRO 12 2HG PRO 12 -7.810 -5.672 -9.519 64 HD2 PRO 12 1HD PRO 12 -6.827 -5.429 -7.008 65 HD3 PRO 12 2HD PRO 12 -7.939 -6.731 -7.476 66 H TYR 13 H TYR 13 -4.352 -5.460 -7.959 67 HA TYR 13 HA TYR 13 -1.894 -5.582 -9.462 68 HB2 TYR 13 1HB TYR 13 -2.572 -3.547 -7.347 69 HB3 TYR 13 2HB TYR 13 -1.507 -3.363 -8.735 70 HD1 TYR 13 2HD TYR 13 -5.021 -3.531 -7.648 71 HD2 TYR 13 1HD TYR 13 -2.373 -2.791 -10.896 72 HE1 TYR 13 2HE TYR 13 -6.884 -2.583 -8.944 73 HE2 TYR 13 1HE TYR 13 -4.229 -1.840 -12.200 74 HH TYR 13 HH TYR 13 -7.535 -1.772 -10.910 75 H ARG 14 H ARG 14 -0.052 -6.443 -8.788 76 HA ARG 14 HA ARG 14 0.435 -6.667 -5.895 77 HB2 ARG 14 1HB ARG 14 -0.233 -8.830 -7.274 78 HB3 ARG 14 2HB ARG 14 1.467 -8.786 -7.724 79 HG2 ARG 14 1HG ARG 14 2.122 -8.896 -5.400 80 HG3 ARG 14 2HG ARG 14 0.432 -8.831 -4.897 81 HD2 ARG 14 1HD ARG 14 0.210 -10.931 -6.447 82 HD3 ARG 14 2HD ARG 14 1.949 -11.053 -6.188 83 HE ARG 14 HE ARG 14 1.551 -11.719 -4.032 84 HH11 ARG 14 2HH1 ARG 14 -1.365 -10.378 -5.381 85 HH12 ARG 14 1HH1 ARG 14 -2.360 -10.867 -4.050 86 HH21 ARG 14 2HH2 ARG 14 0.251 -12.368 -2.274 87 HH22 ARG 14 1HH2 ARG 14 -1.440 -11.998 -2.283 88 H CYS 15 H CYS 15 2.217 -5.622 -5.336 89 HA CYS 15 HA CYS 15 3.958 -4.313 -6.993 90 HB2 CYS 15 1HB CYS 15 4.025 -3.758 -4.699 91 HB3 CYS 15 2HB CYS 15 4.340 -5.423 -4.219 92 H GLY 16 H GLY 16 6.118 -4.698 -7.689 93 HA2 GLY 16 1HA GLY 16 6.585 -7.526 -8.326 94 HA3 GLY 16 2HA GLY 16 7.290 -6.152 -9.166 95 H GLU 17 H GLU 17 8.048 -4.806 -6.672 96 HA GLU 17 HA GLU 17 10.647 -5.844 -6.402 97 HB2 GLU 17 1HB GLU 17 9.594 -3.477 -5.832 98 HB3 GLU 17 2HB GLU 17 9.475 -4.178 -4.224 99 HG2 GLU 17 1HG GLU 17 11.511 -3.075 -4.192 100 HG3 GLU 17 2HG GLU 17 11.955 -4.753 -4.502 101 H CYS 18 H CYS 18 8.204 -5.619 -3.814 102 HA CYS 18 HA CYS 18 9.471 -7.869 -2.461 103 HB2 CYS 18 1HB CYS 18 8.027 -7.282 -0.568 104 HB3 CYS 18 2HB CYS 18 8.919 -5.876 -1.139 105 H GLY 19 H GLY 19 6.310 -6.948 -3.781 106 HA2 GLY 19 1HA GLY 19 5.140 -8.729 -5.032 107 HA3 GLY 19 2HA GLY 19 5.573 -9.810 -3.717 108 H LYS 20 H LYS 20 4.679 -6.636 -2.803 109 HA LYS 20 HA LYS 20 2.517 -7.511 -1.227 110 HB2 LYS 20 1HB LYS 20 3.688 -4.893 -1.987 111 HB3 LYS 20 2HB LYS 20 2.026 -4.870 -1.411 112 HG2 LYS 20 1HG LYS 20 3.024 -6.340 0.527 113 HG3 LYS 20 2HG LYS 20 4.529 -5.560 0.036 114 HD2 LYS 20 1HD LYS 20 3.834 -3.489 0.708 115 HD3 LYS 20 2HD LYS 20 2.131 -3.844 0.411 116 HE2 LYS 20 1HE LYS 20 2.223 -3.775 2.720 117 HE3 LYS 20 2HE LYS 20 2.395 -5.498 2.392 118 HZ1 LYS 20 3HZ LYS 20 4.919 -4.177 2.422 119 HZ2 LYS 20 1HZ LYS 20 4.395 -5.511 3.322 120 HZ3 LYS 20 2HZ LYS 20 4.091 -3.943 3.878 121 H ALA 21 H ALA 21 0.386 -5.956 -1.511 122 HA ALA 21 HA ALA 21 -0.535 -5.997 -4.269 123 HB1 ALA 21 3HB ALA 21 -1.966 -7.590 -2.146 124 HB2 ALA 21 1HB ALA 21 -2.465 -7.386 -3.825 125 HB3 ALA 21 2HB ALA 21 -0.989 -8.273 -3.445 126 H PHE 22 H PHE 22 -2.605 -4.921 -4.550 127 HA PHE 22 HA PHE 22 -3.735 -3.478 -2.326 128 HB2 PHE 22 1HB PHE 22 -2.457 -1.896 -4.563 129 HB3 PHE 22 2HB PHE 22 -3.281 -1.250 -3.148 130 HD1 PHE 22 1HD PHE 22 -0.351 -3.302 -4.151 131 HD2 PHE 22 2HD PHE 22 -2.079 -0.726 -1.236 132 HE1 PHE 22 1HE PHE 22 1.790 -3.241 -2.940 133 HE2 PHE 22 2HE PHE 22 0.059 -0.661 -0.021 134 HZ PHE 22 HZ PHE 22 1.997 -1.918 -0.873 135 H ALA 23 H ALA 23 -5.811 -2.847 -2.707 136 HA ALA 23 HA ALA 23 -7.167 -3.976 -4.920 137 HB1 ALA 23 3HB ALA 23 -9.155 -2.857 -4.017 138 HB2 ALA 23 1HB ALA 23 -8.252 -3.709 -2.764 139 HB3 ALA 23 2HB ALA 23 -8.131 -1.955 -2.901 140 H GLN 24 H GLN 24 -5.949 -0.762 -4.228 141 HA GLN 24 HA GLN 24 -6.819 0.080 -6.914 142 HB2 GLN 24 1HB GLN 24 -6.917 1.503 -4.299 143 HB3 GLN 24 2HB GLN 24 -6.561 2.453 -5.736 144 HG2 GLN 24 1HG GLN 24 -8.639 2.136 -6.635 145 HG3 GLN 24 2HG GLN 24 -8.893 0.611 -5.788 146 HE21 GLN 24 1HE2 GLN 24 -10.006 0.615 -3.939 147 HE22 GLN 24 2HE2 GLN 24 -10.554 2.030 -3.114 148 H LYS 25 H LYS 25 -5.376 1.277 -8.150 149 HA LYS 25 HA LYS 25 -2.657 0.678 -7.864 150 HB2 LYS 25 1HB LYS 25 -4.260 2.470 -9.614 151 HB3 LYS 25 2HB LYS 25 -2.527 2.758 -9.539 152 HG2 LYS 25 1HG LYS 25 -3.785 0.108 -10.215 153 HG3 LYS 25 2HG LYS 25 -3.220 1.285 -11.403 154 HD2 LYS 25 1HD LYS 25 -1.551 -0.135 -9.328 155 HD3 LYS 25 2HD LYS 25 -1.526 -0.406 -11.072 156 HE2 LYS 25 1HE LYS 25 -0.641 2.050 -9.572 157 HE3 LYS 25 2HE LYS 25 0.356 0.952 -10.525 158 HZ1 LYS 25 3HZ LYS 25 -1.822 2.628 -11.649 159 HZ2 LYS 25 1HZ LYS 25 -0.716 1.685 -12.516 160 HZ3 LYS 25 2HZ LYS 25 -0.185 3.052 -11.675 161 H ALA 26 H ALA 26 -4.351 3.771 -7.353 162 HA ALA 26 HA ALA 26 -2.297 5.394 -6.606 163 HB1 ALA 26 3HB ALA 26 -4.883 5.787 -6.680 164 HB2 ALA 26 1HB ALA 26 -4.773 5.470 -4.948 165 HB3 ALA 26 2HB ALA 26 -3.854 6.795 -5.662 166 H ASN 27 H ASN 27 -3.672 2.759 -4.777 167 HA ASN 27 HA ASN 27 -2.320 3.468 -2.328 168 HB2 ASN 27 1HB ASN 27 -4.554 2.095 -2.711 169 HB3 ASN 27 2HB ASN 27 -3.436 0.736 -2.788 170 HD21 ASN 27 1HD2 ASN 27 -3.460 3.686 -0.824 171 HD22 ASN 27 2HD2 ASN 27 -3.429 2.875 0.701 172 H LEU 28 H LEU 28 -1.743 1.430 -5.093 173 HA LEU 28 HA LEU 28 0.432 -0.010 -3.858 174 HB2 LEU 28 1HB LEU 28 -0.616 -1.305 -5.446 175 HB3 LEU 28 2HB LEU 28 -0.839 0.048 -6.553 176 HG LEU 28 HG LEU 28 1.614 -0.038 -7.027 177 HD11 LEU 28 1HD1 LEU 28 1.614 -2.759 -5.785 178 HD12 LEU 28 2HD1 LEU 28 2.027 -1.335 -4.831 179 HD13 LEU 28 3HD1 LEU 28 2.977 -1.744 -6.258 180 HD21 LEU 28 3HD2 LEU 28 0.176 -1.003 -8.634 181 HD22 LEU 28 1HD2 LEU 28 -0.133 -2.413 -7.621 182 HD23 LEU 28 2HD2 LEU 28 1.455 -2.185 -8.353 183 H THR 29 H THR 29 0.167 2.336 -6.530 184 HA THR 29 HA THR 29 2.800 2.705 -7.147 185 HB THR 29 HB THR 29 0.551 4.706 -7.051 186 HG1 THR 29 1HG THR 29 1.015 2.822 -8.684 187 HG21 THR 29 3HG2 THR 29 1.953 6.266 -8.286 188 HG22 THR 29 1HG2 THR 29 3.319 5.159 -8.174 189 HG23 THR 29 2HG2 THR 29 2.674 5.914 -6.716 190 H GLN 30 H GLN 30 1.020 4.189 -4.469 191 HA GLN 30 HA GLN 30 3.132 5.846 -3.578 192 HB2 GLN 30 1HB GLN 30 1.812 6.239 -1.638 193 HB3 GLN 30 2HB GLN 30 0.692 6.079 -2.983 194 HG2 GLN 30 1HG GLN 30 -0.033 3.976 -2.287 195 HG3 GLN 30 2HG GLN 30 1.361 3.745 -1.233 196 HE21 GLN 30 1HE2 GLN 30 -0.884 3.200 -0.063 197 HE22 GLN 30 2HE2 GLN 30 -1.416 4.459 0.993 198 H HIS 31 H HIS 31 2.288 2.509 -2.982 199 HA HIS 31 HA HIS 31 3.946 2.117 -0.713 200 HB2 HIS 31 1HB HIS 31 2.447 0.398 -0.850 201 HB3 HIS 31 2HB HIS 31 2.462 0.382 -2.611 202 HD1 HIS 31 1HD HIS 31 4.222 -1.033 0.369 203 HD2 HIS 31 2HD HIS 31 4.362 -1.308 -3.774 204 HE1 HIS 31 1HE HIS 31 5.699 -3.008 -0.124 205 H GLN 32 H GLN 32 4.439 1.660 -4.187 206 HA GLN 32 HA GLN 32 6.919 0.413 -4.132 207 HB2 GLN 32 1HB GLN 32 6.074 2.476 -6.167 208 HB3 GLN 32 2HB GLN 32 7.207 1.151 -6.397 209 HG2 GLN 32 1HG GLN 32 5.146 -0.329 -5.780 210 HG3 GLN 32 2HG GLN 32 4.234 1.101 -6.260 211 HE21 GLN 32 1HE2 GLN 32 3.529 -0.698 -7.808 212 HE22 GLN 32 2HE2 GLN 32 4.374 -0.766 -9.313 213 H ARG 33 H ARG 33 6.075 3.615 -3.265 214 HA ARG 33 HA ARG 33 8.481 4.964 -3.790 215 HB2 ARG 33 1HB ARG 33 6.617 5.499 -1.475 216 HB3 ARG 33 2HB ARG 33 7.709 6.639 -2.251 217 HG2 ARG 33 1HG ARG 33 5.378 5.339 -3.639 218 HG3 ARG 33 2HG ARG 33 5.310 6.918 -2.854 219 HD2 ARG 33 1HD ARG 33 7.436 6.376 -4.877 220 HD3 ARG 33 2HD ARG 33 5.795 6.720 -5.421 221 HE ARG 33 HE ARG 33 7.668 8.577 -4.281 222 HH11 ARG 33 2HH1 ARG 33 4.300 7.880 -4.824 223 HH12 ARG 33 1HH1 ARG 33 3.807 9.538 -4.724 224 HH21 ARG 33 2HH2 ARG 33 7.030 10.763 -4.148 225 HH22 ARG 33 1HH2 ARG 33 5.360 11.177 -4.340 226 H ILE 34 H ILE 34 7.774 2.497 -1.575 227 HA ILE 34 HA ILE 34 9.702 3.219 0.429 228 HB ILE 34 HB ILE 34 9.182 1.197 1.508 229 HG12 ILE 34 1HG1 ILE 34 8.020 0.213 -1.107 230 HG13 ILE 34 2HG1 ILE 34 9.554 -0.297 -0.412 231 HG21 ILE 34 1HG2 ILE 34 6.535 1.078 0.805 232 HG22 ILE 34 2HG2 ILE 34 7.239 2.200 1.967 233 HG23 ILE 34 3HG2 ILE 34 6.999 2.700 0.293 234 HD11 ILE 34 3HD1 ILE 34 8.094 -2.010 0.136 235 HD12 ILE 34 1HD1 ILE 34 8.157 -1.038 1.606 236 HD13 ILE 34 2HD1 ILE 34 6.778 -0.899 0.515 237 H HIS 35 H HIS 35 9.660 1.237 -2.460 238 HA HIS 35 HA HIS 35 12.280 0.121 -1.928 239 HB2 HIS 35 1HB HIS 35 10.657 -0.054 -4.472 240 HB3 HIS 35 2HB HIS 35 12.002 -1.086 -3.996 241 HD1 HIS 35 1HD HIS 35 11.414 -2.320 -1.499 242 HD2 HIS 35 2HD HIS 35 8.303 -1.289 -4.052 243 HE1 HIS 35 1HE HIS 35 9.463 -3.738 -0.788 244 H THR 36 H THR 36 11.879 3.055 -2.236 245 HA THR 36 HA THR 36 13.868 3.469 -4.367 246 HB THR 36 HB THR 36 12.842 5.610 -4.944 247 HG1 THR 36 1HG THR 36 10.903 6.236 -3.998 248 HG21 THR 36 3HG2 THR 36 12.138 3.524 -6.114 249 HG22 THR 36 1HG2 THR 36 10.908 4.787 -6.118 250 HG23 THR 36 2HG2 THR 36 10.766 3.420 -5.013 251 H GLY 37 H GLY 37 15.456 4.995 -3.965 252 HA2 GLY 37 1HA GLY 37 16.853 6.318 -2.712 253 HA3 GLY 37 2HA GLY 37 15.422 6.845 -1.837 254 H GLU 38 H GLU 38 16.093 6.773 0.235 255 HA GLU 38 HA GLU 38 17.859 4.939 1.359 256 HB2 GLU 38 1HB GLU 38 15.625 6.506 2.657 257 HB3 GLU 38 2HB GLU 38 16.860 5.628 3.547 258 HG2 GLU 38 1HG GLU 38 17.625 7.702 1.538 259 HG3 GLU 38 2HG GLU 38 17.135 8.162 3.167 260 H LYS 39 H LYS 39 17.596 2.801 1.237 261 HA LYS 39 HA LYS 39 15.016 1.681 2.114 262 HB2 LYS 39 1HB LYS 39 15.780 1.471 -0.408 263 HB3 LYS 39 2HB LYS 39 16.770 0.164 0.229 264 HG2 LYS 39 1HG LYS 39 13.851 0.268 0.850 265 HG3 LYS 39 2HG LYS 39 14.411 -0.348 -0.706 266 HD2 LYS 39 1HD LYS 39 15.475 -1.360 1.921 267 HD3 LYS 39 2HD LYS 39 14.062 -2.064 1.130 268 HE2 LYS 39 1HE LYS 39 16.558 -1.713 -0.455 269 HE3 LYS 39 2HE LYS 39 16.490 -3.019 0.728 270 HZ1 LYS 39 3HZ LYS 39 15.049 -4.178 -0.515 271 HZ2 LYS 39 1HZ LYS 39 15.615 -3.222 -1.791 272 HZ3 LYS 39 2HZ LYS 39 14.178 -2.811 -1.000 273 HA PRO 40 HA PRO 40 17.408 -0.352 5.217 274 HB2 PRO 40 1HB PRO 40 15.572 -2.212 5.952 275 HB3 PRO 40 2HB PRO 40 15.445 -0.507 6.401 276 HG2 PRO 40 1HG PRO 40 14.076 -1.991 4.190 277 HG3 PRO 40 2HG PRO 40 13.409 -0.793 5.315 278 HD2 PRO 40 1HD PRO 40 14.120 -0.170 2.778 279 HD3 PRO 40 2HD PRO 40 14.251 0.987 4.118 280 H SER 41 H SER 41 19.032 -1.709 4.833 281 HA SER 41 HA SER 41 19.098 -3.561 2.723 282 HB2 SER 41 1HB SER 41 21.120 -2.565 3.752 283 HB3 SER 41 2HB SER 41 20.827 -3.514 5.209 284 HG SER 41 HG SER 41 21.752 -5.134 4.265 285 H GLY 42 H GLY 42 18.624 -5.686 2.569 286 HA2 GLY 42 1HA GLY 42 18.583 -7.664 4.411 287 HA3 GLY 42 2HA GLY 42 17.047 -6.858 4.690 288 HA PRO 43 HA PRO 43 16.806 -10.060 1.204 289 HB2 PRO 43 1HB PRO 43 15.276 -11.887 2.504 290 HB3 PRO 43 2HB PRO 43 17.043 -11.920 2.531 291 HG2 PRO 43 1HG PRO 43 15.136 -10.861 4.582 292 HG3 PRO 43 2HG PRO 43 16.604 -11.829 4.813 293 HD2 PRO 43 1HD PRO 43 16.552 -9.148 5.191 294 HD3 PRO 43 2HD PRO 43 17.993 -10.002 4.603 295 H SER 44 H SER 44 14.644 -11.040 0.397 296 HA SER 44 HA SER 44 12.791 -8.896 0.128 297 HB2 SER 44 1HB SER 44 12.417 -11.780 -0.707 298 HB3 SER 44 2HB SER 44 11.558 -10.374 -1.337 299 HG SER 44 HG SER 44 13.624 -11.369 -2.407 300 H SER 45 H SER 45 10.327 -9.565 0.276 301 HA SER 45 HA SER 45 9.742 -11.080 2.690 302 HB2 SER 45 1HB SER 45 10.235 -8.580 3.234 303 HB3 SER 45 2HB SER 45 8.650 -8.285 2.519 304 HG SER 45 HG SER 45 9.099 -10.166 4.590 305 H GLY 46 H GLY 46 7.389 -11.344 3.028 306 HA2 GLY 46 1HA GLY 46 5.711 -10.765 0.713 307 HA3 GLY 46 2HA GLY 46 6.001 -12.462 1.065 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.404 -19.806 -10.867 2 HA2 GLY 1 1HA GLY 1 -12.474 -21.374 -8.741 3 HA3 GLY 1 2HA GLY 1 -12.905 -19.714 -9.124 4 H SER 2 H SER 2 -14.897 -21.232 -8.250 5 HA SER 2 HA SER 2 -16.390 -21.978 -10.679 6 HB2 SER 2 1HB SER 2 -16.834 -23.046 -7.882 7 HB3 SER 2 2HB SER 2 -17.643 -23.578 -9.356 8 HG SER 2 HG SER 2 -15.344 -24.439 -8.331 9 H SER 3 H SER 3 -18.186 -20.870 -11.111 10 HA SER 3 HA SER 3 -18.898 -18.561 -9.710 11 HB2 SER 3 1HB SER 3 -19.465 -19.343 -12.148 12 HB3 SER 3 2HB SER 3 -20.912 -20.012 -11.395 13 HG SER 3 HG SER 3 -20.338 -17.447 -12.014 14 H GLY 4 H GLY 4 -19.937 -18.289 -7.855 15 HA2 GLY 4 1HA GLY 4 -22.333 -19.494 -7.120 16 HA3 GLY 4 2HA GLY 4 -21.049 -20.452 -6.398 17 H SER 5 H SER 5 -19.255 -18.825 -5.443 18 HA SER 5 HA SER 5 -20.184 -17.849 -3.082 19 HB2 SER 5 1HB SER 5 -17.742 -18.033 -4.058 20 HB3 SER 5 2HB SER 5 -17.982 -16.325 -4.422 21 HG SER 5 HG SER 5 -17.861 -15.867 -2.365 22 H SER 6 H SER 6 -20.727 -15.802 -2.246 23 HA SER 6 HA SER 6 -22.539 -14.313 -3.747 24 HB2 SER 6 1HB SER 6 -21.140 -13.900 -1.141 25 HB3 SER 6 2HB SER 6 -21.995 -12.533 -1.854 26 HG SER 6 HG SER 6 -23.112 -15.089 -1.319 27 H GLY 7 H GLY 7 -19.363 -13.160 -2.583 28 HA2 GLY 7 1HA GLY 7 -18.885 -11.882 -5.157 29 HA3 GLY 7 2HA GLY 7 -19.062 -10.802 -3.782 30 H THR 8 H THR 8 -16.739 -10.953 -5.346 31 HA THR 8 HA THR 8 -14.837 -12.035 -3.373 32 HB THR 8 HB THR 8 -13.252 -12.421 -5.286 33 HG1 THR 8 1HG THR 8 -15.492 -12.431 -6.994 34 HG21 THR 8 3HG2 THR 8 -14.830 -14.392 -6.207 35 HG22 THR 8 1HG2 THR 8 -15.726 -13.954 -4.753 36 HG23 THR 8 2HG2 THR 8 -14.038 -14.449 -4.633 37 H GLY 9 H GLY 9 -13.425 -10.600 -2.594 38 HA2 GLY 9 1HA GLY 9 -12.947 -8.137 -4.153 39 HA3 GLY 9 2HA GLY 9 -13.278 -8.079 -2.428 40 H GLU 10 H GLU 10 -10.993 -9.299 -4.838 41 HA GLU 10 HA GLU 10 -8.925 -9.382 -2.747 42 HB2 GLU 10 1HB GLU 10 -9.331 -10.892 -5.291 43 HB3 GLU 10 2HB GLU 10 -7.688 -10.628 -4.726 44 HG2 GLU 10 1HG GLU 10 -8.396 -12.746 -3.927 45 HG3 GLU 10 2HG GLU 10 -8.347 -11.645 -2.550 46 H LYS 11 H LYS 11 -6.644 -8.990 -3.804 47 HA LYS 11 HA LYS 11 -6.818 -6.381 -5.141 48 HB2 LYS 11 1HB LYS 11 -4.436 -7.564 -3.711 49 HB3 LYS 11 2HB LYS 11 -4.642 -5.899 -4.237 50 HG2 LYS 11 1HG LYS 11 -6.038 -5.376 -2.506 51 HG3 LYS 11 2HG LYS 11 -6.615 -7.034 -2.325 52 HD2 LYS 11 1HD LYS 11 -4.714 -7.692 -1.141 53 HD3 LYS 11 2HD LYS 11 -3.771 -6.310 -1.705 54 HE2 LYS 11 1HE LYS 11 -6.209 -5.773 -0.093 55 HE3 LYS 11 2HE LYS 11 -4.796 -6.418 0.740 56 HZ1 LYS 11 3HZ LYS 11 -3.495 -4.575 -0.208 57 HZ2 LYS 11 1HZ LYS 11 -4.742 -4.036 0.800 58 HZ3 LYS 11 2HZ LYS 11 -4.909 -3.933 -0.879 59 HA PRO 12 HA PRO 12 -5.364 -8.665 -8.732 60 HB2 PRO 12 1HB PRO 12 -5.710 -6.604 -10.465 61 HB3 PRO 12 2HB PRO 12 -7.040 -7.629 -9.914 62 HG2 PRO 12 1HG PRO 12 -6.218 -4.915 -8.957 63 HG3 PRO 12 2HG PRO 12 -7.845 -5.543 -9.277 64 HD2 PRO 12 1HD PRO 12 -6.817 -5.368 -6.778 65 HD3 PRO 12 2HD PRO 12 -7.955 -6.644 -7.255 66 H TYR 13 H TYR 13 -4.403 -5.341 -7.920 67 HA TYR 13 HA TYR 13 -1.955 -5.501 -9.412 68 HB2 TYR 13 1HB TYR 13 -2.632 -3.468 -7.289 69 HB3 TYR 13 2HB TYR 13 -1.520 -3.289 -8.642 70 HD1 TYR 13 2HD TYR 13 -5.045 -3.323 -7.628 71 HD2 TYR 13 1HD TYR 13 -2.336 -2.795 -10.866 72 HE1 TYR 13 2HE TYR 13 -6.856 -2.346 -8.976 73 HE2 TYR 13 1HE TYR 13 -4.138 -1.815 -12.222 74 HH TYR 13 HH TYR 13 -7.257 -2.155 -11.657 75 H ARG 14 H ARG 14 -0.117 -6.392 -8.770 76 HA ARG 14 HA ARG 14 0.403 -6.641 -5.883 77 HB2 ARG 14 1HB ARG 14 -0.265 -8.784 -7.285 78 HB3 ARG 14 2HB ARG 14 1.426 -8.722 -7.762 79 HG2 ARG 14 1HG ARG 14 2.102 -8.827 -5.424 80 HG3 ARG 14 2HG ARG 14 0.408 -8.862 -4.932 81 HD2 ARG 14 1HD ARG 14 1.622 -10.910 -6.772 82 HD3 ARG 14 2HD ARG 14 1.599 -11.094 -5.019 83 HE ARG 14 HE ARG 14 -0.679 -11.486 -5.106 84 HH11 ARG 14 2HH1 ARG 14 0.508 -10.502 -8.227 85 HH12 ARG 14 1HH1 ARG 14 -0.943 -10.945 -9.064 86 HH21 ARG 14 2HH2 ARG 14 -2.594 -12.074 -6.196 87 HH22 ARG 14 1HH2 ARG 14 -2.707 -11.839 -7.907 88 H CYS 15 H CYS 15 2.190 -5.610 -5.312 89 HA CYS 15 HA CYS 15 3.912 -4.260 -6.961 90 HB2 CYS 15 1HB CYS 15 3.988 -3.742 -4.658 91 HB3 CYS 15 2HB CYS 15 4.318 -5.412 -4.209 92 H GLY 16 H GLY 16 6.085 -4.623 -7.654 93 HA2 GLY 16 1HA GLY 16 6.553 -7.436 -8.353 94 HA3 GLY 16 2HA GLY 16 7.256 -6.044 -9.164 95 H GLU 17 H GLU 17 8.021 -4.743 -6.656 96 HA GLU 17 HA GLU 17 10.617 -5.792 -6.403 97 HB2 GLU 17 1HB GLU 17 9.583 -3.429 -5.805 98 HB3 GLU 17 2HB GLU 17 9.442 -4.148 -4.207 99 HG2 GLU 17 1HG GLU 17 11.497 -2.888 -4.402 100 HG3 GLU 17 2HG GLU 17 11.839 -4.605 -4.196 101 H CYS 18 H CYS 18 8.188 -5.587 -3.800 102 HA CYS 18 HA CYS 18 9.447 -7.859 -2.480 103 HB2 CYS 18 1HB CYS 18 7.992 -7.297 -0.584 104 HB3 CYS 18 2HB CYS 18 8.896 -5.889 -1.130 105 H GLY 19 H GLY 19 6.303 -6.928 -3.825 106 HA2 GLY 19 1HA GLY 19 5.124 -8.683 -5.087 107 HA3 GLY 19 2HA GLY 19 5.567 -9.790 -3.796 108 H LYS 20 H LYS 20 4.667 -6.641 -2.808 109 HA LYS 20 HA LYS 20 2.513 -7.556 -1.245 110 HB2 LYS 20 1HB LYS 20 3.674 -4.920 -1.950 111 HB3 LYS 20 2HB LYS 20 2.014 -4.914 -1.369 112 HG2 LYS 20 1HG LYS 20 3.020 -6.423 0.533 113 HG3 LYS 20 2HG LYS 20 4.523 -5.629 0.055 114 HD2 LYS 20 1HD LYS 20 3.574 -3.460 0.476 115 HD3 LYS 20 2HD LYS 20 1.984 -4.166 0.772 116 HE2 LYS 20 1HE LYS 20 2.907 -3.698 2.898 117 HE3 LYS 20 2HE LYS 20 3.043 -5.442 2.676 118 HZ1 LYS 20 3HZ LYS 20 5.379 -4.886 1.813 119 HZ2 LYS 20 1HZ LYS 20 5.108 -4.838 3.483 120 HZ3 LYS 20 2HZ LYS 20 5.168 -3.400 2.594 121 H ALA 21 H ALA 21 0.380 -5.990 -1.491 122 HA ALA 21 HA ALA 21 -0.552 -6.004 -4.248 123 HB1 ALA 21 3HB ALA 21 -2.060 -7.537 -2.138 124 HB2 ALA 21 1HB ALA 21 -2.448 -7.405 -3.854 125 HB3 ALA 21 2HB ALA 21 -1.007 -8.283 -3.340 126 H PHE 22 H PHE 22 -2.617 -4.909 -4.515 127 HA PHE 22 HA PHE 22 -3.738 -3.465 -2.295 128 HB2 PHE 22 1HB PHE 22 -2.389 -1.874 -4.483 129 HB3 PHE 22 2HB PHE 22 -3.234 -1.232 -3.079 130 HD1 PHE 22 1HD PHE 22 -0.276 -3.207 -4.111 131 HD2 PHE 22 2HD PHE 22 -2.108 -0.867 -1.065 132 HE1 PHE 22 1HE PHE 22 1.837 -3.200 -2.851 133 HE2 PHE 22 2HE PHE 22 0.003 -0.854 0.199 134 HZ PHE 22 HZ PHE 22 1.979 -2.021 -0.694 135 H ALA 23 H ALA 23 -5.842 -3.166 -2.651 136 HA ALA 23 HA ALA 23 -7.160 -4.121 -4.900 137 HB1 ALA 23 3HB ALA 23 -8.944 -3.800 -3.618 138 HB2 ALA 23 1HB ALA 23 -7.891 -3.035 -2.428 139 HB3 ALA 23 2HB ALA 23 -8.710 -2.052 -3.643 140 H GLN 24 H GLN 24 -6.020 -0.872 -4.163 141 HA GLN 24 HA GLN 24 -6.830 -0.042 -6.872 142 HB2 GLN 24 1HB GLN 24 -6.770 1.465 -4.278 143 HB3 GLN 24 2HB GLN 24 -6.629 2.325 -5.806 144 HG2 GLN 24 1HG GLN 24 -8.873 2.441 -5.532 145 HG3 GLN 24 2HG GLN 24 -8.777 0.904 -6.391 146 HE21 GLN 24 1HE2 GLN 24 -8.663 2.192 -3.088 147 HE22 GLN 24 2HE2 GLN 24 -9.588 0.919 -2.376 148 H LYS 25 H LYS 25 -5.371 1.123 -8.117 149 HA LYS 25 HA LYS 25 -2.657 0.484 -7.822 150 HB2 LYS 25 1HB LYS 25 -4.235 2.272 -9.603 151 HB3 LYS 25 2HB LYS 25 -2.496 2.526 -9.537 152 HG2 LYS 25 1HG LYS 25 -3.838 -0.088 -10.195 153 HG3 LYS 25 2HG LYS 25 -3.173 1.045 -11.374 154 HD2 LYS 25 1HD LYS 25 -1.678 -0.498 -9.259 155 HD3 LYS 25 2HD LYS 25 -1.551 -0.674 -11.011 156 HE2 LYS 25 1HE LYS 25 -0.695 1.689 -9.346 157 HE3 LYS 25 2HE LYS 25 0.349 0.563 -10.213 158 HZ1 LYS 25 3HZ LYS 25 -0.786 2.929 -11.160 159 HZ2 LYS 25 1HZ LYS 25 -1.497 1.657 -12.020 160 HZ3 LYS 25 2HZ LYS 25 0.186 1.830 -12.002 161 H ALA 26 H ALA 26 -4.292 3.626 -7.407 162 HA ALA 26 HA ALA 26 -2.249 5.246 -6.690 163 HB1 ALA 26 3HB ALA 26 -3.790 6.574 -5.455 164 HB2 ALA 26 1HB ALA 26 -4.681 5.846 -6.792 165 HB3 ALA 26 2HB ALA 26 -4.843 5.190 -5.162 166 H ASN 27 H ASN 27 -3.672 2.709 -4.722 167 HA ASN 27 HA ASN 27 -2.275 3.424 -2.328 168 HB2 ASN 27 1HB ASN 27 -4.432 2.126 -2.405 169 HB3 ASN 27 2HB ASN 27 -3.512 0.751 -3.010 170 HD21 ASN 27 1HD2 ASN 27 -4.723 0.070 -0.904 171 HD22 ASN 27 2HD2 ASN 27 -3.753 0.120 0.525 172 H LEU 28 H LEU 28 -1.689 1.267 -5.030 173 HA LEU 28 HA LEU 28 0.572 -0.020 -3.809 174 HB2 LEU 28 1HB LEU 28 -0.428 -1.393 -5.356 175 HB3 LEU 28 2HB LEU 28 -0.740 -0.073 -6.482 176 HG LEU 28 HG LEU 28 1.750 -0.049 -6.939 177 HD11 LEU 28 1HD1 LEU 28 2.246 -1.385 -4.833 178 HD12 LEU 28 2HD1 LEU 28 3.093 -1.864 -6.303 179 HD13 LEU 28 3HD1 LEU 28 1.710 -2.801 -5.739 180 HD21 LEU 28 3HD2 LEU 28 0.350 -0.943 -8.605 181 HD22 LEU 28 1HD2 LEU 28 -0.005 -2.383 -7.650 182 HD23 LEU 28 2HD2 LEU 28 1.600 -2.160 -8.346 183 H THR 29 H THR 29 0.183 2.277 -6.507 184 HA THR 29 HA THR 29 2.778 2.730 -7.198 185 HB THR 29 HB THR 29 0.590 4.800 -6.941 186 HG1 THR 29 1HG THR 29 -0.059 3.410 -8.479 187 HG21 THR 29 3HG2 THR 29 1.917 6.090 -8.590 188 HG22 THR 29 1HG2 THR 29 3.230 4.929 -8.402 189 HG23 THR 29 2HG2 THR 29 2.732 5.925 -7.035 190 H GLN 30 H GLN 30 1.043 4.210 -4.481 191 HA GLN 30 HA GLN 30 3.181 5.870 -3.647 192 HB2 GLN 30 1HB GLN 30 1.883 6.340 -1.728 193 HB3 GLN 30 2HB GLN 30 0.728 6.098 -3.031 194 HG2 GLN 30 1HG GLN 30 0.014 4.062 -2.199 195 HG3 GLN 30 2HG GLN 30 1.476 3.828 -1.242 196 HE21 GLN 30 1HE2 GLN 30 1.139 3.993 0.844 197 HE22 GLN 30 2HE2 GLN 30 -0.006 5.028 1.619 198 H HIS 31 H HIS 31 2.328 2.546 -3.014 199 HA HIS 31 HA HIS 31 4.000 2.170 -0.751 200 HB2 HIS 31 1HB HIS 31 2.479 0.465 -0.860 201 HB3 HIS 31 2HB HIS 31 2.496 0.419 -2.621 202 HD1 HIS 31 1HD HIS 31 4.192 -0.996 0.384 203 HD2 HIS 31 2HD HIS 31 4.437 -1.266 -3.754 204 HE1 HIS 31 1HE HIS 31 5.669 -2.979 -0.074 205 H GLN 32 H GLN 32 4.475 1.787 -4.224 206 HA GLN 32 HA GLN 32 6.925 0.470 -4.211 207 HB2 GLN 32 1HB GLN 32 6.085 2.596 -6.185 208 HB3 GLN 32 2HB GLN 32 7.230 1.289 -6.458 209 HG2 GLN 32 1HG GLN 32 5.254 -0.271 -5.959 210 HG3 GLN 32 2HG GLN 32 4.252 1.157 -6.216 211 HE21 GLN 32 1HE2 GLN 32 3.808 -0.890 -7.838 212 HE22 GLN 32 2HE2 GLN 32 4.439 -0.597 -9.419 213 H ARG 33 H ARG 33 6.152 3.676 -3.281 214 HA ARG 33 HA ARG 33 8.587 4.981 -3.775 215 HB2 ARG 33 1HB ARG 33 6.740 5.504 -1.444 216 HB3 ARG 33 2HB ARG 33 7.855 6.637 -2.197 217 HG2 ARG 33 1HG ARG 33 5.465 5.428 -3.571 218 HG3 ARG 33 2HG ARG 33 5.490 7.017 -2.803 219 HD2 ARG 33 1HD ARG 33 7.563 6.360 -4.841 220 HD3 ARG 33 2HD ARG 33 5.931 6.750 -5.380 221 HE ARG 33 HE ARG 33 6.465 8.790 -3.731 222 HH11 ARG 33 2HH1 ARG 33 8.314 7.350 -6.306 223 HH12 ARG 33 1HH1 ARG 33 9.124 8.823 -6.724 224 HH21 ARG 33 2HH2 ARG 33 7.526 10.736 -4.272 225 HH22 ARG 33 1HH2 ARG 33 8.675 10.748 -5.566 226 H ILE 34 H ILE 34 7.725 2.587 -1.470 227 HA ILE 34 HA ILE 34 9.694 3.188 0.499 228 HB ILE 34 HB ILE 34 9.104 1.192 1.555 229 HG12 ILE 34 1HG1 ILE 34 8.076 0.176 -1.104 230 HG13 ILE 34 2HG1 ILE 34 9.586 -0.307 -0.337 231 HG21 ILE 34 1HG2 ILE 34 6.482 1.126 0.505 232 HG22 ILE 34 2HG2 ILE 34 7.057 1.941 1.958 233 HG23 ILE 34 3HG2 ILE 34 7.045 2.794 0.414 234 HD11 ILE 34 3HD1 ILE 34 8.209 -1.140 1.591 235 HD12 ILE 34 1HD1 ILE 34 6.786 -0.872 0.585 236 HD13 ILE 34 2HD1 ILE 34 8.022 -2.023 0.076 237 H HIS 35 H HIS 35 9.684 1.380 -2.481 238 HA HIS 35 HA HIS 35 12.276 0.181 -1.935 239 HB2 HIS 35 1HB HIS 35 10.641 0.068 -4.476 240 HB3 HIS 35 2HB HIS 35 12.002 -0.965 -4.048 241 HD1 HIS 35 1HD HIS 35 11.457 -2.268 -1.574 242 HD2 HIS 35 2HD HIS 35 8.307 -1.207 -4.066 243 HE1 HIS 35 1HE HIS 35 9.530 -3.725 -0.878 244 H THR 36 H THR 36 12.044 3.082 -2.082 245 HA THR 36 HA THR 36 13.950 3.541 -4.275 246 HB THR 36 HB THR 36 12.999 5.736 -4.714 247 HG1 THR 36 1HG THR 36 12.111 5.904 -2.480 248 HG21 THR 36 3HG2 THR 36 12.002 3.448 -5.631 249 HG22 THR 36 1HG2 THR 36 11.296 5.008 -6.053 250 HG23 THR 36 2HG2 THR 36 10.569 4.026 -4.782 251 H GLY 37 H GLY 37 15.649 4.908 -3.830 252 HA2 GLY 37 1HA GLY 37 15.909 6.794 -1.858 253 HA3 GLY 37 2HA GLY 37 16.287 5.275 -1.060 254 H GLU 38 H GLU 38 18.155 7.300 -1.242 255 HA GLU 38 HA GLU 38 19.928 6.693 -3.459 256 HB2 GLU 38 1HB GLU 38 21.260 8.510 -2.717 257 HB3 GLU 38 2HB GLU 38 19.588 9.020 -2.527 258 HG2 GLU 38 1HG GLU 38 20.934 7.763 -0.201 259 HG3 GLU 38 2HG GLU 38 21.392 9.407 -0.644 260 H LYS 39 H LYS 39 19.225 4.838 -1.096 261 HA LYS 39 HA LYS 39 21.980 4.265 -0.232 262 HB2 LYS 39 1HB LYS 39 21.049 3.118 1.672 263 HB3 LYS 39 2HB LYS 39 20.325 4.717 1.569 264 HG2 LYS 39 1HG LYS 39 18.458 3.497 1.971 265 HG3 LYS 39 2HG LYS 39 18.480 3.396 0.209 266 HD2 LYS 39 1HD LYS 39 19.981 1.270 0.728 267 HD3 LYS 39 2HD LYS 39 19.084 1.317 2.248 268 HE2 LYS 39 1HE LYS 39 17.740 1.412 -0.442 269 HE3 LYS 39 2HE LYS 39 18.097 -0.100 0.390 270 HZ1 LYS 39 3HZ LYS 39 16.836 1.592 2.212 271 HZ2 LYS 39 1HZ LYS 39 16.241 0.158 1.539 272 HZ3 LYS 39 2HZ LYS 39 15.930 1.639 0.784 273 HA PRO 40 HA PRO 40 21.966 0.613 -2.694 274 HB2 PRO 40 1HB PRO 40 23.895 -0.780 -1.387 275 HB3 PRO 40 2HB PRO 40 24.248 0.607 -2.425 276 HG2 PRO 40 1HG PRO 40 24.027 0.482 0.558 277 HG3 PRO 40 2HG PRO 40 25.224 1.327 -0.441 278 HD2 PRO 40 1HD PRO 40 23.122 2.596 0.701 279 HD3 PRO 40 2HD PRO 40 23.810 3.100 -0.855 280 H SER 41 H SER 41 21.169 -1.474 -2.694 281 HA SER 41 HA SER 41 20.051 -2.421 -0.136 282 HB2 SER 41 1HB SER 41 18.297 -3.545 -1.574 283 HB3 SER 41 2HB SER 41 18.228 -1.783 -1.549 284 HG SER 41 HG SER 41 19.791 -2.949 -3.530 285 H GLY 42 H GLY 42 22.153 -3.094 -2.708 286 HA2 GLY 42 1HA GLY 42 23.290 -5.354 -1.656 287 HA3 GLY 42 2HA GLY 42 21.972 -5.956 -2.650 288 HA PRO 43 HA PRO 43 25.669 -5.667 -5.380 289 HB2 PRO 43 1HB PRO 43 25.140 -7.978 -6.703 290 HB3 PRO 43 2HB PRO 43 26.027 -7.928 -5.175 291 HG2 PRO 43 1HG PRO 43 23.144 -8.562 -5.672 292 HG3 PRO 43 2HG PRO 43 24.296 -9.368 -4.593 293 HD2 PRO 43 1HD PRO 43 22.462 -7.588 -3.698 294 HD3 PRO 43 2HD PRO 43 24.058 -7.775 -2.944 295 H SER 44 H SER 44 25.776 -5.289 -7.635 296 HA SER 44 HA SER 44 23.242 -4.393 -8.770 297 HB2 SER 44 1HB SER 44 25.292 -2.915 -8.729 298 HB3 SER 44 2HB SER 44 26.017 -4.007 -9.909 299 HG SER 44 HG SER 44 23.468 -2.987 -10.437 300 H SER 45 H SER 45 22.146 -5.622 -10.133 301 HA SER 45 HA SER 45 23.387 -7.957 -11.321 302 HB2 SER 45 1HB SER 45 20.536 -6.943 -11.410 303 HB3 SER 45 2HB SER 45 21.080 -8.470 -12.105 304 HG SER 45 HG SER 45 21.748 -8.023 -9.451 305 H GLY 46 H GLY 46 23.444 -8.411 -13.552 306 HA2 GLY 46 1HA GLY 46 23.689 -6.002 -15.198 307 HA3 GLY 46 2HA GLY 46 24.335 -7.590 -15.583 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.919 4.119 18.429 2 HA2 GLY 1 1HA GLY 1 -14.710 6.464 16.643 3 HA3 GLY 1 2HA GLY 1 -13.506 5.184 16.648 4 H SER 2 H SER 2 -14.381 5.567 14.268 5 HA SER 2 HA SER 2 -16.545 3.617 13.820 6 HB2 SER 2 1HB SER 2 -17.099 4.780 11.779 7 HB3 SER 2 2HB SER 2 -17.032 5.965 13.084 8 HG SER 2 HG SER 2 -14.926 6.509 12.371 9 H SER 3 H SER 3 -15.647 1.720 13.333 10 HA SER 3 HA SER 3 -13.612 1.666 11.213 11 HB2 SER 3 1HB SER 3 -13.483 0.425 13.930 12 HB3 SER 3 2HB SER 3 -12.755 -0.436 12.574 13 HG SER 3 HG SER 3 -11.919 1.831 13.867 14 H GLY 4 H GLY 4 -13.434 -0.477 10.156 15 HA2 GLY 4 1HA GLY 4 -15.528 -2.400 10.511 16 HA3 GLY 4 2HA GLY 4 -15.809 -1.372 9.114 17 H SER 5 H SER 5 -15.648 -3.248 7.784 18 HA SER 5 HA SER 5 -13.055 -4.568 7.644 19 HB2 SER 5 1HB SER 5 -14.099 -6.141 6.166 20 HB3 SER 5 2HB SER 5 -15.233 -5.838 7.483 21 HG SER 5 HG SER 5 -15.909 -4.073 5.787 22 H SER 6 H SER 6 -12.097 -4.922 5.446 23 HA SER 6 HA SER 6 -12.619 -2.861 3.478 24 HB2 SER 6 1HB SER 6 -10.380 -1.924 3.505 25 HB3 SER 6 2HB SER 6 -11.086 -1.769 5.113 26 HG SER 6 HG SER 6 -9.127 -3.601 4.219 27 H GLY 7 H GLY 7 -12.370 -3.693 1.508 28 HA2 GLY 7 1HA GLY 7 -10.291 -5.110 0.462 29 HA3 GLY 7 2HA GLY 7 -11.301 -6.346 1.197 30 H THR 8 H THR 8 -13.823 -5.497 0.669 31 HA THR 8 HA THR 8 -15.350 -5.955 -1.003 32 HB THR 8 HB THR 8 -13.960 -3.601 -2.290 33 HG1 THR 8 1HG THR 8 -15.051 -2.314 -0.878 34 HG21 THR 8 3HG2 THR 8 -15.722 -3.481 -3.658 35 HG22 THR 8 1HG2 THR 8 -16.857 -3.649 -2.320 36 HG23 THR 8 2HG2 THR 8 -16.175 -5.085 -3.085 37 H GLY 9 H GLY 9 -13.110 -7.620 -1.332 38 HA2 GLY 9 1HA GLY 9 -13.117 -9.139 -3.303 39 HA3 GLY 9 2HA GLY 9 -12.882 -7.696 -4.279 40 H GLU 10 H GLU 10 -11.145 -9.711 -4.636 41 HA GLU 10 HA GLU 10 -8.846 -9.523 -2.946 42 HB2 GLU 10 1HB GLU 10 -9.372 -10.812 -5.613 43 HB3 GLU 10 2HB GLU 10 -7.761 -10.784 -4.910 44 HG2 GLU 10 1HG GLU 10 -8.961 -12.878 -4.466 45 HG3 GLU 10 2HG GLU 10 -8.523 -12.017 -2.991 46 H LYS 11 H LYS 11 -6.665 -8.972 -3.876 47 HA LYS 11 HA LYS 11 -6.873 -6.410 -5.292 48 HB2 LYS 11 1HB LYS 11 -4.557 -7.533 -3.705 49 HB3 LYS 11 2HB LYS 11 -4.664 -5.913 -4.381 50 HG2 LYS 11 1HG LYS 11 -6.235 -5.226 -2.824 51 HG3 LYS 11 2HG LYS 11 -6.717 -6.879 -2.434 52 HD2 LYS 11 1HD LYS 11 -4.874 -7.236 -1.084 53 HD3 LYS 11 2HD LYS 11 -3.921 -5.980 -1.878 54 HE2 LYS 11 1HE LYS 11 -4.483 -5.125 0.250 55 HE3 LYS 11 2HE LYS 11 -5.545 -4.310 -0.896 56 HZ1 LYS 11 3HZ LYS 11 -7.345 -5.699 -0.267 57 HZ2 LYS 11 1HZ LYS 11 -6.653 -5.120 1.164 58 HZ3 LYS 11 2HZ LYS 11 -6.349 -6.705 0.658 59 HA PRO 12 HA PRO 12 -5.268 -8.720 -8.799 60 HB2 PRO 12 1HB PRO 12 -5.625 -6.703 -10.581 61 HB3 PRO 12 2HB PRO 12 -6.941 -7.754 -10.043 62 HG2 PRO 12 1HG PRO 12 -6.217 -5.000 -9.119 63 HG3 PRO 12 2HG PRO 12 -7.818 -5.679 -9.467 64 HD2 PRO 12 1HD PRO 12 -6.858 -5.428 -6.947 65 HD3 PRO 12 2HD PRO 12 -7.948 -6.744 -7.427 66 H TYR 13 H TYR 13 -4.384 -5.408 -7.907 67 HA TYR 13 HA TYR 13 -1.925 -5.468 -9.394 68 HB2 TYR 13 1HB TYR 13 -2.672 -3.510 -7.222 69 HB3 TYR 13 2HB TYR 13 -1.541 -3.270 -8.550 70 HD1 TYR 13 2HD TYR 13 -5.073 -3.369 -7.586 71 HD2 TYR 13 1HD TYR 13 -2.337 -2.764 -10.787 72 HE1 TYR 13 2HE TYR 13 -6.880 -2.391 -8.937 73 HE2 TYR 13 1HE TYR 13 -4.136 -1.783 -12.147 74 HH TYR 13 HH TYR 13 -7.209 -2.176 -11.692 75 H ARG 14 H ARG 14 -0.082 -6.354 -8.760 76 HA ARG 14 HA ARG 14 0.443 -6.633 -5.878 77 HB2 ARG 14 1HB ARG 14 -0.243 -8.770 -7.287 78 HB3 ARG 14 2HB ARG 14 1.450 -8.717 -7.759 79 HG2 ARG 14 1HG ARG 14 2.114 -8.820 -5.413 80 HG3 ARG 14 2HG ARG 14 0.416 -8.863 -4.935 81 HD2 ARG 14 1HD ARG 14 0.196 -10.940 -6.351 82 HD3 ARG 14 2HD ARG 14 1.953 -10.931 -6.492 83 HE ARG 14 HE ARG 14 1.052 -10.818 -3.776 84 HH11 ARG 14 2HH1 ARG 14 1.716 -12.936 -6.458 85 HH12 ARG 14 1HH1 ARG 14 2.009 -14.322 -5.459 86 HH21 ARG 14 2HH2 ARG 14 1.435 -12.635 -2.451 87 HH22 ARG 14 1HH2 ARG 14 1.847 -14.150 -3.181 88 H CYS 15 H CYS 15 2.269 -5.677 -5.295 89 HA CYS 15 HA CYS 15 3.984 -4.322 -6.974 90 HB2 CYS 15 1HB CYS 15 4.075 -3.761 -4.688 91 HB3 CYS 15 2HB CYS 15 4.358 -5.429 -4.201 92 H GLY 16 H GLY 16 6.204 -4.709 -7.578 93 HA2 GLY 16 1HA GLY 16 6.633 -7.530 -8.283 94 HA3 GLY 16 2HA GLY 16 7.369 -6.150 -9.084 95 H GLU 17 H GLU 17 8.139 -4.837 -6.604 96 HA GLU 17 HA GLU 17 10.702 -5.942 -6.291 97 HB2 GLU 17 1HB GLU 17 9.843 -3.547 -5.793 98 HB3 GLU 17 2HB GLU 17 9.422 -4.192 -4.212 99 HG2 GLU 17 1HG GLU 17 12.176 -4.228 -5.424 100 HG3 GLU 17 2HG GLU 17 11.601 -3.070 -4.226 101 H CYS 18 H CYS 18 8.225 -5.664 -3.741 102 HA CYS 18 HA CYS 18 9.421 -7.942 -2.370 103 HB2 CYS 18 1HB CYS 18 7.945 -7.327 -0.504 104 HB3 CYS 18 2HB CYS 18 8.895 -5.948 -1.048 105 H GLY 19 H GLY 19 6.313 -6.957 -3.763 106 HA2 GLY 19 1HA GLY 19 5.111 -8.695 -5.025 107 HA3 GLY 19 2HA GLY 19 5.519 -9.803 -3.724 108 H LYS 20 H LYS 20 4.669 -6.630 -2.767 109 HA LYS 20 HA LYS 20 2.506 -7.474 -1.194 110 HB2 LYS 20 1HB LYS 20 3.676 -4.870 -1.991 111 HB3 LYS 20 2HB LYS 20 2.012 -4.834 -1.421 112 HG2 LYS 20 1HG LYS 20 3.015 -6.288 0.537 113 HG3 LYS 20 2HG LYS 20 4.509 -5.486 0.045 114 HD2 LYS 20 1HD LYS 20 3.616 -3.343 0.479 115 HD3 LYS 20 2HD LYS 20 1.970 -3.970 0.598 116 HE2 LYS 20 1HE LYS 20 4.195 -4.695 2.498 117 HE3 LYS 20 2HE LYS 20 3.036 -3.398 2.789 118 HZ1 LYS 20 3HZ LYS 20 2.557 -5.676 3.793 119 HZ2 LYS 20 1HZ LYS 20 2.136 -6.154 2.226 120 HZ3 LYS 20 2HZ LYS 20 1.291 -4.900 2.983 121 H ALA 21 H ALA 21 0.372 -5.925 -1.490 122 HA ALA 21 HA ALA 21 -0.564 -5.971 -4.236 123 HB1 ALA 21 3HB ALA 21 -1.768 -7.735 -2.113 124 HB2 ALA 21 1HB ALA 21 -2.571 -7.335 -3.631 125 HB3 ALA 21 2HB ALA 21 -1.051 -8.230 -3.646 126 H PHE 22 H PHE 22 -2.673 -4.950 -4.488 127 HA PHE 22 HA PHE 22 -3.840 -3.573 -2.250 128 HB2 PHE 22 1HB PHE 22 -2.537 -1.912 -4.415 129 HB3 PHE 22 2HB PHE 22 -3.417 -1.312 -3.013 130 HD1 PHE 22 1HD PHE 22 -0.363 -3.103 -4.073 131 HD2 PHE 22 2HD PHE 22 -2.341 -0.996 -0.949 132 HE1 PHE 22 1HE PHE 22 1.739 -3.032 -2.795 133 HE2 PHE 22 2HE PHE 22 -0.243 -0.921 0.334 134 HZ PHE 22 HZ PHE 22 1.801 -1.939 -0.589 135 H ALA 23 H ALA 23 -5.918 -2.952 -2.647 136 HA ALA 23 HA ALA 23 -7.265 -4.071 -4.847 137 HB1 ALA 23 3HB ALA 23 -8.615 -3.821 -2.998 138 HB2 ALA 23 1HB ALA 23 -8.037 -2.188 -2.663 139 HB3 ALA 23 2HB ALA 23 -9.147 -2.474 -4.005 140 H GLN 24 H GLN 24 -6.029 -0.835 -4.242 141 HA GLN 24 HA GLN 24 -6.804 -0.098 -6.987 142 HB2 GLN 24 1HB GLN 24 -6.903 1.458 -4.440 143 HB3 GLN 24 2HB GLN 24 -6.569 2.316 -5.939 144 HG2 GLN 24 1HG GLN 24 -8.656 1.913 -6.800 145 HG3 GLN 24 2HG GLN 24 -8.900 0.470 -5.816 146 HE21 GLN 24 1HE2 GLN 24 -9.077 0.874 -3.444 147 HE22 GLN 24 2HE2 GLN 24 -9.963 2.269 -2.940 148 H LYS 25 H LYS 25 -5.365 1.429 -8.060 149 HA LYS 25 HA LYS 25 -2.642 0.663 -7.794 150 HB2 LYS 25 1HB LYS 25 -4.190 2.507 -9.540 151 HB3 LYS 25 2HB LYS 25 -2.455 2.772 -9.429 152 HG2 LYS 25 1HG LYS 25 -3.689 0.122 -10.136 153 HG3 LYS 25 2HG LYS 25 -3.193 1.326 -11.328 154 HD2 LYS 25 1HD LYS 25 -1.440 -0.100 -9.331 155 HD3 LYS 25 2HD LYS 25 -1.426 -0.282 -11.087 156 HE2 LYS 25 1HE LYS 25 -0.958 2.294 -11.043 157 HE3 LYS 25 2HE LYS 25 -0.419 1.964 -9.397 158 HZ1 LYS 25 3HZ LYS 25 1.345 0.739 -10.120 159 HZ2 LYS 25 1HZ LYS 25 1.225 1.827 -11.410 160 HZ3 LYS 25 2HZ LYS 25 0.593 0.265 -11.559 161 H ALA 26 H ALA 26 -4.298 3.777 -7.274 162 HA ALA 26 HA ALA 26 -2.270 5.381 -6.472 163 HB1 ALA 26 3HB ALA 26 -4.731 5.378 -4.787 164 HB2 ALA 26 1HB ALA 26 -3.828 6.735 -5.461 165 HB3 ALA 26 2HB ALA 26 -4.858 5.754 -6.505 166 H ASN 27 H ASN 27 -3.637 2.709 -4.672 167 HA ASN 27 HA ASN 27 -2.273 3.351 -2.223 168 HB2 ASN 27 1HB ASN 27 -4.449 2.050 -2.408 169 HB3 ASN 27 2HB ASN 27 -3.484 0.689 -2.973 170 HD21 ASN 27 1HD2 ASN 27 -4.897 0.196 -0.832 171 HD22 ASN 27 2HD2 ASN 27 -3.934 0.186 0.602 172 H LEU 28 H LEU 28 -1.689 1.311 -5.012 173 HA LEU 28 HA LEU 28 0.557 -0.045 -3.837 174 HB2 LEU 28 1HB LEU 28 -0.478 -1.333 -5.445 175 HB3 LEU 28 2HB LEU 28 -0.722 0.034 -6.530 176 HG LEU 28 HG LEU 28 1.756 -0.001 -6.962 177 HD11 LEU 28 1HD1 LEU 28 3.080 -1.812 -6.303 178 HD12 LEU 28 2HD1 LEU 28 1.686 -2.761 -5.789 179 HD13 LEU 28 3HD1 LEU 28 2.194 -1.360 -4.846 180 HD21 LEU 28 3HD2 LEU 28 0.318 -0.885 -8.627 181 HD22 LEU 28 1HD2 LEU 28 0.028 -2.354 -7.695 182 HD23 LEU 28 2HD2 LEU 28 1.615 -2.061 -8.407 183 H THR 29 H THR 29 0.180 2.386 -6.414 184 HA THR 29 HA THR 29 2.810 2.835 -7.048 185 HB THR 29 HB THR 29 0.553 4.835 -6.872 186 HG1 THR 29 1HG THR 29 1.753 3.507 -9.095 187 HG21 THR 29 3HG2 THR 29 2.651 6.049 -6.750 188 HG22 THR 29 1HG2 THR 29 1.934 6.261 -8.346 189 HG23 THR 29 2HG2 THR 29 3.283 5.147 -8.127 190 H GLN 30 H GLN 30 0.984 4.173 -4.330 191 HA GLN 30 HA GLN 30 3.049 5.894 -3.418 192 HB2 GLN 30 1HB GLN 30 1.700 6.264 -1.506 193 HB3 GLN 30 2HB GLN 30 0.586 6.049 -2.850 194 HG2 GLN 30 1HG GLN 30 -0.121 3.980 -2.110 195 HG3 GLN 30 2HG GLN 30 1.328 3.719 -1.140 196 HE21 GLN 30 1HE2 GLN 30 0.564 3.449 0.853 197 HE22 GLN 30 2HE2 GLN 30 -0.453 4.566 1.691 198 H HIS 31 H HIS 31 2.426 2.517 -3.062 199 HA HIS 31 HA HIS 31 4.044 2.147 -0.720 200 HB2 HIS 31 1HB HIS 31 2.556 0.416 -0.842 201 HB3 HIS 31 2HB HIS 31 2.556 0.398 -2.603 202 HD1 HIS 31 1HD HIS 31 4.370 -0.985 0.362 203 HD2 HIS 31 2HD HIS 31 4.452 -1.283 -3.781 204 HE1 HIS 31 1HE HIS 31 5.862 -2.946 -0.141 205 H GLN 32 H GLN 32 4.475 1.621 -4.200 206 HA GLN 32 HA GLN 32 6.951 0.415 -4.218 207 HB2 GLN 32 1HB GLN 32 6.125 2.556 -6.178 208 HB3 GLN 32 2HB GLN 32 7.211 1.202 -6.463 209 HG2 GLN 32 1HG GLN 32 5.177 -0.273 -5.939 210 HG3 GLN 32 2HG GLN 32 4.233 1.195 -6.183 211 HE21 GLN 32 1HE2 GLN 32 3.584 -0.709 -7.818 212 HE22 GLN 32 2HE2 GLN 32 4.243 -0.489 -9.400 213 H ARG 33 H ARG 33 6.151 3.779 -3.664 214 HA ARG 33 HA ARG 33 8.546 5.053 -4.047 215 HB2 ARG 33 1HB ARG 33 6.816 5.569 -1.632 216 HB3 ARG 33 2HB ARG 33 7.812 6.719 -2.514 217 HG2 ARG 33 1HG ARG 33 6.250 6.153 -4.507 218 HG3 ARG 33 2HG ARG 33 5.164 5.557 -3.250 219 HD2 ARG 33 1HD ARG 33 6.383 8.243 -2.890 220 HD3 ARG 33 2HD ARG 33 5.100 8.071 -4.087 221 HE ARG 33 HE ARG 33 3.583 7.766 -2.386 222 HH11 ARG 33 2HH1 ARG 33 6.822 7.593 -1.121 223 HH12 ARG 33 1HH1 ARG 33 6.317 7.625 0.536 224 HH21 ARG 33 2HH2 ARG 33 2.905 7.808 -0.208 225 HH22 ARG 33 1HH2 ARG 33 4.088 7.746 1.054 226 H ILE 34 H ILE 34 7.730 2.739 -1.604 227 HA ILE 34 HA ILE 34 9.776 3.357 0.256 228 HB ILE 34 HB ILE 34 9.259 1.345 1.343 229 HG12 ILE 34 1HG1 ILE 34 8.075 0.343 -1.255 230 HG13 ILE 34 2HG1 ILE 34 9.625 -0.148 -0.582 231 HG21 ILE 34 1HG2 ILE 34 7.095 2.887 0.202 232 HG22 ILE 34 2HG2 ILE 34 6.596 1.237 0.573 233 HG23 ILE 34 3HG2 ILE 34 7.288 2.255 1.836 234 HD11 ILE 34 3HD1 ILE 34 6.872 -0.751 0.426 235 HD12 ILE 34 1HD1 ILE 34 8.155 -1.871 -0.033 236 HD13 ILE 34 2HD1 ILE 34 8.298 -0.925 1.448 237 H HIS 35 H HIS 35 9.623 1.232 -2.555 238 HA HIS 35 HA HIS 35 12.255 0.152 -2.113 239 HB2 HIS 35 1HB HIS 35 10.526 0.001 -4.590 240 HB3 HIS 35 2HB HIS 35 11.929 -1.001 -4.230 241 HD1 HIS 35 1HD HIS 35 11.520 -2.257 -1.681 242 HD2 HIS 35 2HD HIS 35 8.263 -1.368 -4.103 243 HE1 HIS 35 1HE HIS 35 9.665 -3.763 -0.894 244 H THR 36 H THR 36 10.800 2.376 -4.479 245 HA THR 36 HA THR 36 13.271 2.989 -5.753 246 HB THR 36 HB THR 36 12.046 4.797 -6.871 247 HG1 THR 36 1HG THR 36 9.972 4.089 -5.048 248 HG21 THR 36 3HG2 THR 36 10.464 2.232 -6.671 249 HG22 THR 36 1HG2 THR 36 11.823 2.533 -7.753 250 HG23 THR 36 2HG2 THR 36 10.318 3.428 -7.959 251 H GLY 37 H GLY 37 14.390 5.020 -5.733 252 HA2 GLY 37 1HA GLY 37 13.848 6.868 -3.559 253 HA3 GLY 37 2HA GLY 37 15.335 5.945 -3.401 254 H GLU 38 H GLU 38 16.524 5.908 -5.718 255 HA GLU 38 HA GLU 38 17.694 7.087 -7.279 256 HB2 GLU 38 1HB GLU 38 15.228 7.955 -7.710 257 HB3 GLU 38 2HB GLU 38 15.886 9.451 -7.062 258 HG2 GLU 38 1HG GLU 38 17.503 9.591 -8.790 259 HG3 GLU 38 2HG GLU 38 17.144 7.956 -9.343 260 H LYS 39 H LYS 39 18.475 7.197 -4.616 261 HA LYS 39 HA LYS 39 19.120 9.950 -3.972 262 HB2 LYS 39 1HB LYS 39 19.807 7.341 -2.609 263 HB3 LYS 39 2HB LYS 39 20.277 8.924 -2.002 264 HG2 LYS 39 1HG LYS 39 18.383 8.487 -0.779 265 HG3 LYS 39 2HG LYS 39 17.734 9.437 -2.118 266 HD2 LYS 39 1HD LYS 39 16.828 7.553 -3.167 267 HD3 LYS 39 2HD LYS 39 17.839 6.440 -2.242 268 HE2 LYS 39 1HE LYS 39 15.579 6.327 -1.418 269 HE3 LYS 39 2HE LYS 39 16.602 7.082 -0.197 270 HZ1 LYS 39 3HZ LYS 39 14.511 8.258 -0.439 271 HZ2 LYS 39 1HZ LYS 39 14.811 8.517 -2.084 272 HZ3 LYS 39 2HZ LYS 39 15.797 9.246 -0.919 273 HA PRO 40 HA PRO 40 23.063 10.065 -5.912 274 HB2 PRO 40 1HB PRO 40 24.329 11.847 -4.302 275 HB3 PRO 40 2HB PRO 40 23.070 12.316 -5.451 276 HG2 PRO 40 1HG PRO 40 22.862 11.845 -2.502 277 HG3 PRO 40 2HG PRO 40 22.148 13.139 -3.481 278 HD2 PRO 40 1HD PRO 40 20.733 10.979 -2.666 279 HD3 PRO 40 2HD PRO 40 20.413 11.806 -4.204 280 H SER 41 H SER 41 24.049 8.097 -5.661 281 HA SER 41 HA SER 41 25.088 7.229 -3.123 282 HB2 SER 41 1HB SER 41 24.208 5.738 -5.027 283 HB3 SER 41 2HB SER 41 25.772 6.013 -5.796 284 HG SER 41 HG SER 41 26.623 5.290 -3.640 285 H GLY 42 H GLY 42 27.169 7.255 -2.408 286 HA2 GLY 42 1HA GLY 42 29.052 8.859 -4.007 287 HA3 GLY 42 2HA GLY 42 29.095 8.691 -2.258 288 HA PRO 43 HA PRO 43 32.248 5.675 -2.767 289 HB2 PRO 43 1HB PRO 43 32.024 4.401 -0.381 290 HB3 PRO 43 2HB PRO 43 32.726 6.015 -0.546 291 HG2 PRO 43 1HG PRO 43 29.965 5.230 0.304 292 HG3 PRO 43 2HG PRO 43 31.039 6.463 0.989 293 HD2 PRO 43 1HD PRO 43 29.004 7.073 -0.690 294 HD3 PRO 43 2HD PRO 43 30.513 8.006 -0.640 295 H SER 44 H SER 44 32.511 3.559 -3.383 296 HA SER 44 HA SER 44 30.390 2.138 -4.425 297 HB2 SER 44 1HB SER 44 33.127 1.222 -3.543 298 HB3 SER 44 2HB SER 44 31.986 0.146 -4.348 299 HG SER 44 HG SER 44 32.114 2.407 -5.736 300 H SER 45 H SER 45 28.658 1.569 -3.260 301 HA SER 45 HA SER 45 28.499 0.997 -0.573 302 HB2 SER 45 1HB SER 45 26.369 -0.083 -1.045 303 HB3 SER 45 2HB SER 45 26.546 1.340 -2.071 304 HG SER 45 HG SER 45 27.456 -1.086 -3.088 305 H GLY 46 H GLY 46 28.651 -0.817 0.701 306 HA2 GLY 46 1HA GLY 46 29.060 -3.437 -0.360 307 HA3 GLY 46 2HA GLY 46 30.574 -2.715 0.165 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -15.724 -14.045 20.559 2 HA2 GLY 1 1HA GLY 1 -15.638 -11.253 19.867 3 HA3 GLY 1 2HA GLY 1 -14.511 -12.495 19.341 4 H SER 2 H SER 2 -15.643 -10.379 17.748 5 HA SER 2 HA SER 2 -17.274 -11.942 15.857 6 HB2 SER 2 1HB SER 2 -17.190 -8.983 16.436 7 HB3 SER 2 2HB SER 2 -17.904 -9.624 14.956 8 HG SER 2 HG SER 2 -19.609 -10.078 16.075 9 H SER 3 H SER 3 -15.452 -12.882 14.857 10 HA SER 3 HA SER 3 -14.320 -11.261 12.766 11 HB2 SER 3 1HB SER 3 -12.499 -12.460 14.867 12 HB3 SER 3 2HB SER 3 -11.960 -11.746 13.347 13 HG SER 3 HG SER 3 -13.253 -9.836 14.193 14 H GLY 4 H GLY 4 -14.115 -12.464 10.987 15 HA2 GLY 4 1HA GLY 4 -13.409 -15.280 11.176 16 HA3 GLY 4 2HA GLY 4 -15.018 -14.941 10.556 17 H SER 5 H SER 5 -12.124 -15.816 9.545 18 HA SER 5 HA SER 5 -11.127 -14.169 7.646 19 HB2 SER 5 1HB SER 5 -11.578 -17.150 7.522 20 HB3 SER 5 2HB SER 5 -10.699 -16.279 6.266 21 HG SER 5 HG SER 5 -10.042 -16.386 9.026 22 H SER 6 H SER 6 -11.765 -13.255 5.797 23 HA SER 6 HA SER 6 -13.886 -14.387 4.196 24 HB2 SER 6 1HB SER 6 -15.095 -13.078 5.952 25 HB3 SER 6 2HB SER 6 -14.266 -11.629 5.384 26 HG SER 6 HG SER 6 -15.819 -11.491 3.988 27 H GLY 7 H GLY 7 -14.136 -13.314 2.137 28 HA2 GLY 7 1HA GLY 7 -12.355 -11.170 1.418 29 HA3 GLY 7 2HA GLY 7 -11.832 -12.731 0.803 30 H THR 8 H THR 8 -13.295 -10.044 -0.142 31 HA THR 8 HA THR 8 -14.979 -11.467 -2.093 32 HB THR 8 HB THR 8 -16.509 -9.480 -2.096 33 HG1 THR 8 1HG THR 8 -15.739 -7.817 -1.032 34 HG21 THR 8 3HG2 THR 8 -16.992 -10.187 0.600 35 HG22 THR 8 1HG2 THR 8 -16.333 -11.612 -0.202 36 HG23 THR 8 2HG2 THR 8 -17.772 -10.823 -0.848 37 H GLY 9 H GLY 9 -13.372 -8.364 -1.380 38 HA2 GLY 9 1HA GLY 9 -12.984 -7.979 -4.272 39 HA3 GLY 9 2HA GLY 9 -12.891 -6.715 -3.054 40 H GLU 10 H GLU 10 -11.256 -9.593 -4.295 41 HA GLU 10 HA GLU 10 -8.897 -9.371 -2.805 42 HB2 GLU 10 1HB GLU 10 -9.330 -10.491 -5.578 43 HB3 GLU 10 2HB GLU 10 -7.863 -10.710 -4.635 44 HG2 GLU 10 1HG GLU 10 -9.175 -11.857 -2.901 45 HG3 GLU 10 2HG GLU 10 -10.614 -11.687 -3.905 46 H LYS 11 H LYS 11 -6.705 -9.003 -4.016 47 HA LYS 11 HA LYS 11 -6.879 -6.363 -5.311 48 HB2 LYS 11 1HB LYS 11 -4.546 -7.509 -3.769 49 HB3 LYS 11 2HB LYS 11 -4.693 -5.871 -4.392 50 HG2 LYS 11 1HG LYS 11 -6.179 -5.235 -2.760 51 HG3 LYS 11 2HG LYS 11 -6.731 -6.886 -2.469 52 HD2 LYS 11 1HD LYS 11 -4.652 -7.428 -1.362 53 HD3 LYS 11 2HD LYS 11 -3.993 -5.838 -1.753 54 HE2 LYS 11 1HE LYS 11 -6.116 -4.989 -0.470 55 HE3 LYS 11 2HE LYS 11 -6.071 -6.598 0.248 56 HZ1 LYS 11 3HZ LYS 11 -3.483 -5.597 0.334 57 HZ2 LYS 11 1HZ LYS 11 -4.533 -5.857 1.635 58 HZ3 LYS 11 2HZ LYS 11 -4.492 -4.350 0.869 59 HA PRO 12 HA PRO 12 -5.333 -8.719 -8.816 60 HB2 PRO 12 1HB PRO 12 -5.666 -6.705 -10.606 61 HB3 PRO 12 2HB PRO 12 -6.996 -7.731 -10.056 62 HG2 PRO 12 1HG PRO 12 -6.222 -4.985 -9.149 63 HG3 PRO 12 2HG PRO 12 -7.836 -5.639 -9.486 64 HD2 PRO 12 1HD PRO 12 -6.859 -5.392 -6.972 65 HD3 PRO 12 2HD PRO 12 -7.973 -6.692 -7.440 66 H TYR 13 H TYR 13 -4.375 -5.443 -7.890 67 HA TYR 13 HA TYR 13 -1.923 -5.551 -9.403 68 HB2 TYR 13 1HB TYR 13 -2.605 -3.549 -7.254 69 HB3 TYR 13 2HB TYR 13 -1.515 -3.347 -8.621 70 HD1 TYR 13 2HD TYR 13 -5.018 -3.392 -7.547 71 HD2 TYR 13 1HD TYR 13 -2.372 -2.854 -10.835 72 HE1 TYR 13 2HE TYR 13 -6.854 -2.410 -8.857 73 HE2 TYR 13 1HE TYR 13 -4.200 -1.869 -12.153 74 HH TYR 13 HH TYR 13 -6.448 -1.577 -12.253 75 H ARG 14 H ARG 14 -0.044 -6.353 -8.744 76 HA ARG 14 HA ARG 14 0.436 -6.661 -5.859 77 HB2 ARG 14 1HB ARG 14 -0.220 -8.799 -7.275 78 HB3 ARG 14 2HB ARG 14 1.474 -8.731 -7.743 79 HG2 ARG 14 1HG ARG 14 2.138 -8.847 -5.402 80 HG3 ARG 14 2HG ARG 14 0.441 -8.886 -4.919 81 HD2 ARG 14 1HD ARG 14 1.531 -10.915 -6.832 82 HD3 ARG 14 2HD ARG 14 1.762 -11.108 -5.095 83 HE ARG 14 HE ARG 14 -0.501 -11.532 -4.857 84 HH11 ARG 14 2HH1 ARG 14 0.222 -10.540 -8.115 85 HH12 ARG 14 1HH1 ARG 14 -1.323 -11.012 -8.740 86 HH21 ARG 14 2HH2 ARG 14 -2.539 -12.156 -5.668 87 HH22 ARG 14 1HH2 ARG 14 -2.893 -11.930 -7.348 88 H CYS 15 H CYS 15 2.210 -5.615 -5.278 89 HA CYS 15 HA CYS 15 3.941 -4.257 -6.906 90 HB2 CYS 15 1HB CYS 15 3.997 -3.757 -4.596 91 HB3 CYS 15 2HB CYS 15 4.340 -5.428 -4.160 92 H GLY 16 H GLY 16 6.086 -4.612 -7.638 93 HA2 GLY 16 1HA GLY 16 6.579 -7.421 -8.327 94 HA3 GLY 16 2HA GLY 16 7.272 -6.024 -9.138 95 H GLU 17 H GLU 17 8.018 -4.732 -6.606 96 HA GLU 17 HA GLU 17 10.629 -5.748 -6.369 97 HB2 GLU 17 1HB GLU 17 9.668 -3.399 -5.788 98 HB3 GLU 17 2HB GLU 17 9.343 -4.106 -4.211 99 HG2 GLU 17 1HG GLU 17 11.531 -2.824 -4.544 100 HG3 GLU 17 2HG GLU 17 11.592 -4.385 -3.728 101 H CYS 18 H CYS 18 8.195 -5.610 -3.765 102 HA CYS 18 HA CYS 18 9.482 -7.890 -2.482 103 HB2 CYS 18 1HB CYS 18 8.029 -7.362 -0.568 104 HB3 CYS 18 2HB CYS 18 8.948 -5.954 -1.089 105 H GLY 19 H GLY 19 6.308 -6.943 -3.751 106 HA2 GLY 19 1HA GLY 19 5.145 -8.708 -5.043 107 HA3 GLY 19 2HA GLY 19 5.571 -9.806 -3.738 108 H LYS 20 H LYS 20 4.697 -6.656 -2.755 109 HA LYS 20 HA LYS 20 2.531 -7.532 -1.202 110 HB2 LYS 20 1HB LYS 20 3.686 -4.907 -1.960 111 HB3 LYS 20 2HB LYS 20 2.028 -4.895 -1.375 112 HG2 LYS 20 1HG LYS 20 3.088 -6.393 0.537 113 HG3 LYS 20 2HG LYS 20 4.545 -5.520 0.057 114 HD2 LYS 20 1HD LYS 20 3.556 -3.421 0.542 115 HD3 LYS 20 2HD LYS 20 1.949 -4.135 0.693 116 HE2 LYS 20 1HE LYS 20 4.271 -4.748 2.516 117 HE3 LYS 20 2HE LYS 20 3.013 -3.565 2.869 118 HZ1 LYS 20 3HZ LYS 20 1.510 -5.165 3.322 119 HZ2 LYS 20 1HZ LYS 20 2.888 -6.089 3.655 120 HZ3 LYS 20 2HZ LYS 20 2.110 -6.238 2.160 121 H ALA 21 H ALA 21 0.393 -5.984 -1.480 122 HA ALA 21 HA ALA 21 -0.532 -6.019 -4.235 123 HB1 ALA 21 3HB ALA 21 -1.076 -8.253 -3.667 124 HB2 ALA 21 1HB ALA 21 -1.719 -7.771 -2.096 125 HB3 ALA 21 2HB ALA 21 -2.579 -7.334 -3.573 126 H PHE 22 H PHE 22 -2.639 -4.982 -4.492 127 HA PHE 22 HA PHE 22 -3.782 -3.562 -2.270 128 HB2 PHE 22 1HB PHE 22 -2.460 -1.942 -4.455 129 HB3 PHE 22 2HB PHE 22 -3.330 -1.315 -3.059 130 HD1 PHE 22 1HD PHE 22 -0.330 -3.253 -4.048 131 HD2 PHE 22 2HD PHE 22 -2.221 -0.895 -1.051 132 HE1 PHE 22 1HE PHE 22 1.773 -3.195 -2.772 133 HE2 PHE 22 2HE PHE 22 -0.121 -0.832 0.229 134 HZ PHE 22 HZ PHE 22 1.880 -1.982 -0.631 135 H ALA 23 H ALA 23 -5.866 -3.011 -2.656 136 HA ALA 23 HA ALA 23 -7.233 -4.114 -4.826 137 HB1 ALA 23 3HB ALA 23 -8.941 -2.174 -3.942 138 HB2 ALA 23 1HB ALA 23 -8.773 -3.782 -3.238 139 HB3 ALA 23 2HB ALA 23 -7.899 -2.418 -2.540 140 H GLN 24 H GLN 24 -6.058 -0.826 -4.280 141 HA GLN 24 HA GLN 24 -6.773 -0.187 -7.066 142 HB2 GLN 24 1HB GLN 24 -6.751 1.518 -4.593 143 HB3 GLN 24 2HB GLN 24 -6.613 2.244 -6.188 144 HG2 GLN 24 1HG GLN 24 -8.866 2.372 -5.847 145 HG3 GLN 24 2HG GLN 24 -8.748 0.832 -6.696 146 HE21 GLN 24 1HE2 GLN 24 -10.002 -0.658 -5.861 147 HE22 GLN 24 2HE2 GLN 24 -10.387 -0.855 -4.188 148 H LYS 25 H LYS 25 -5.336 1.499 -8.057 149 HA LYS 25 HA LYS 25 -2.613 0.648 -7.834 150 HB2 LYS 25 1HB LYS 25 -4.148 2.509 -9.574 151 HB3 LYS 25 2HB LYS 25 -2.411 2.760 -9.462 152 HG2 LYS 25 1HG LYS 25 -3.677 0.130 -10.188 153 HG3 LYS 25 2HG LYS 25 -3.142 1.331 -11.367 154 HD2 LYS 25 1HD LYS 25 -1.437 -0.126 -9.350 155 HD3 LYS 25 2HD LYS 25 -1.416 -0.325 -11.104 156 HE2 LYS 25 1HE LYS 25 -0.900 2.246 -11.073 157 HE3 LYS 25 2HE LYS 25 -0.366 1.909 -9.427 158 HZ1 LYS 25 3HZ LYS 25 1.426 1.768 -11.096 159 HZ2 LYS 25 1HZ LYS 25 0.621 0.473 -11.831 160 HZ3 LYS 25 2HZ LYS 25 1.202 0.321 -10.249 161 H ALA 26 H ALA 26 -4.261 3.757 -7.276 162 HA ALA 26 HA ALA 26 -2.206 5.340 -6.472 163 HB1 ALA 26 3HB ALA 26 -4.664 5.922 -6.592 164 HB2 ALA 26 1HB ALA 26 -4.804 5.267 -4.960 165 HB3 ALA 26 2HB ALA 26 -3.757 6.653 -5.267 166 H ASN 27 H ASN 27 -3.662 2.712 -4.665 167 HA ASN 27 HA ASN 27 -2.310 3.324 -2.209 168 HB2 ASN 27 1HB ASN 27 -4.500 2.039 -2.446 169 HB3 ASN 27 2HB ASN 27 -3.526 0.667 -2.965 170 HD21 ASN 27 1HD2 ASN 27 -4.756 -0.127 -0.985 171 HD22 ASN 27 2HD2 ASN 27 -3.928 0.010 0.525 172 H LEU 28 H LEU 28 -1.682 1.336 -5.014 173 HA LEU 28 HA LEU 28 0.533 -0.054 -3.798 174 HB2 LEU 28 1HB LEU 28 -0.517 -1.345 -5.402 175 HB3 LEU 28 2HB LEU 28 -0.714 0.013 -6.510 176 HG LEU 28 HG LEU 28 1.755 -0.074 -6.920 177 HD11 LEU 28 1HD1 LEU 28 1.651 -2.785 -5.634 178 HD12 LEU 28 2HD1 LEU 28 2.182 -1.348 -4.759 179 HD13 LEU 28 3HD1 LEU 28 3.060 -1.882 -6.192 180 HD21 LEU 28 3HD2 LEU 28 1.604 -2.240 -8.252 181 HD22 LEU 28 1HD2 LEU 28 0.394 -1.003 -8.593 182 HD23 LEU 28 2HD2 LEU 28 -0.027 -2.396 -7.597 183 H THR 29 H THR 29 0.220 2.282 -6.474 184 HA THR 29 HA THR 29 2.838 2.732 -7.076 185 HB THR 29 HB THR 29 0.596 4.748 -6.925 186 HG1 THR 29 1HG THR 29 1.005 4.401 -9.343 187 HG21 THR 29 3HG2 THR 29 1.951 6.228 -8.281 188 HG22 THR 29 1HG2 THR 29 3.277 5.067 -8.277 189 HG23 THR 29 2HG2 THR 29 2.801 5.867 -6.779 190 H GLN 30 H GLN 30 1.018 4.153 -4.391 191 HA GLN 30 HA GLN 30 3.089 5.856 -3.488 192 HB2 GLN 30 1HB GLN 30 1.753 6.223 -1.559 193 HB3 GLN 30 2HB GLN 30 0.636 6.021 -2.903 194 HG2 GLN 30 1HG GLN 30 -0.009 3.888 -2.199 195 HG3 GLN 30 2HG GLN 30 1.377 3.730 -1.121 196 HE21 GLN 30 1HE2 GLN 30 1.404 5.833 0.416 197 HE22 GLN 30 2HE2 GLN 30 -0.071 6.034 1.292 198 H HIS 31 H HIS 31 2.370 2.489 -2.979 199 HA HIS 31 HA HIS 31 4.042 2.142 -0.691 200 HB2 HIS 31 1HB HIS 31 2.529 0.425 -0.789 201 HB3 HIS 31 2HB HIS 31 2.548 0.363 -2.548 202 HD1 HIS 31 1HD HIS 31 4.225 -1.028 0.471 203 HD2 HIS 31 2HD HIS 31 4.548 -1.280 -3.663 204 HE1 HIS 31 1HE HIS 31 5.737 -2.989 0.033 205 H GLN 32 H GLN 32 4.443 1.511 -4.162 206 HA GLN 32 HA GLN 32 6.928 0.322 -4.153 207 HB2 GLN 32 1HB GLN 32 6.024 2.362 -6.187 208 HB3 GLN 32 2HB GLN 32 7.172 1.052 -6.433 209 HG2 GLN 32 1HG GLN 32 5.089 -0.409 -5.702 210 HG3 GLN 32 2HG GLN 32 4.213 0.991 -6.317 211 HE21 GLN 32 1HE2 GLN 32 3.405 -0.551 -7.893 212 HE22 GLN 32 2HE2 GLN 32 4.345 -0.882 -9.304 213 H ARG 33 H ARG 33 6.098 3.655 -3.598 214 HA ARG 33 HA ARG 33 8.501 4.935 -4.097 215 HB2 ARG 33 1HB ARG 33 6.683 5.545 -1.764 216 HB3 ARG 33 2HB ARG 33 7.764 6.658 -2.592 217 HG2 ARG 33 1HG ARG 33 6.324 6.105 -4.677 218 HG3 ARG 33 2HG ARG 33 5.143 5.548 -3.489 219 HD2 ARG 33 1HD ARG 33 5.611 7.855 -2.365 220 HD3 ARG 33 2HD ARG 33 6.211 8.298 -3.963 221 HE ARG 33 HE ARG 33 3.804 7.260 -4.533 222 HH11 ARG 33 2HH1 ARG 33 4.829 9.616 -2.185 223 HH12 ARG 33 1HH1 ARG 33 3.325 10.476 -2.199 224 HH21 ARG 33 2HH2 ARG 33 1.819 8.383 -4.561 225 HH22 ARG 33 1HH2 ARG 33 1.614 9.774 -3.550 226 H ILE 34 H ILE 34 7.695 2.696 -1.603 227 HA ILE 34 HA ILE 34 9.673 3.421 0.291 228 HB ILE 34 HB ILE 34 9.197 1.412 1.410 229 HG12 ILE 34 1HG1 ILE 34 8.039 0.326 -1.166 230 HG13 ILE 34 2HG1 ILE 34 9.624 -0.086 -0.520 231 HG21 ILE 34 1HG2 ILE 34 7.214 2.337 1.843 232 HG22 ILE 34 2HG2 ILE 34 6.997 2.849 0.170 233 HG23 ILE 34 3HG2 ILE 34 6.555 1.213 0.656 234 HD11 ILE 34 3HD1 ILE 34 8.433 -0.930 1.530 235 HD12 ILE 34 1HD1 ILE 34 6.931 -0.751 0.623 236 HD13 ILE 34 2HD1 ILE 34 8.182 -1.856 0.050 237 H HIS 35 H HIS 35 9.654 1.224 -2.468 238 HA HIS 35 HA HIS 35 12.285 0.202 -1.937 239 HB2 HIS 35 1HB HIS 35 10.673 0.042 -4.491 240 HB3 HIS 35 2HB HIS 35 12.060 -0.955 -4.062 241 HD1 HIS 35 1HD HIS 35 11.541 -2.239 -1.560 242 HD2 HIS 35 2HD HIS 35 8.382 -1.312 -4.094 243 HE1 HIS 35 1HE HIS 35 9.654 -3.747 -0.861 244 H THR 36 H THR 36 10.900 2.421 -4.349 245 HA THR 36 HA THR 36 13.086 3.044 -5.848 246 HB THR 36 HB THR 36 12.136 5.294 -6.184 247 HG1 THR 36 1HG THR 36 11.354 5.908 -4.230 248 HG21 THR 36 3HG2 THR 36 11.092 3.752 -7.565 249 HG22 THR 36 1HG2 THR 36 9.724 4.460 -6.708 250 HG23 THR 36 2HG2 THR 36 10.355 2.888 -6.217 251 H GLY 37 H GLY 37 15.097 3.430 -5.168 252 HA2 GLY 37 1HA GLY 37 16.393 5.435 -4.321 253 HA3 GLY 37 2HA GLY 37 15.460 5.220 -2.848 254 H GLU 38 H GLU 38 18.389 4.678 -4.185 255 HA GLU 38 HA GLU 38 18.853 2.140 -2.793 256 HB2 GLU 38 1HB GLU 38 20.495 3.675 -4.807 257 HB3 GLU 38 2HB GLU 38 21.096 2.258 -3.958 258 HG2 GLU 38 1HG GLU 38 20.334 1.549 -6.087 259 HG3 GLU 38 2HG GLU 38 19.174 0.974 -4.891 260 H LYS 39 H LYS 39 18.922 2.818 -0.659 261 HA LYS 39 HA LYS 39 21.153 4.617 0.032 262 HB2 LYS 39 1HB LYS 39 18.404 4.335 1.142 263 HB3 LYS 39 2HB LYS 39 19.701 4.726 2.264 264 HG2 LYS 39 1HG LYS 39 19.059 6.826 1.701 265 HG3 LYS 39 2HG LYS 39 20.248 6.549 0.427 266 HD2 LYS 39 1HD LYS 39 18.490 5.925 -1.121 267 HD3 LYS 39 2HD LYS 39 17.279 6.080 0.154 268 HE2 LYS 39 1HE LYS 39 17.057 8.105 -0.907 269 HE3 LYS 39 2HE LYS 39 18.233 8.511 0.342 270 HZ1 LYS 39 3HZ LYS 39 20.001 8.225 -1.277 271 HZ2 LYS 39 1HZ LYS 39 18.889 9.381 -1.814 272 HZ3 LYS 39 2HZ LYS 39 18.876 7.824 -2.475 273 HA PRO 40 HA PRO 40 23.059 1.404 2.335 274 HB2 PRO 40 1HB PRO 40 24.103 2.770 4.436 275 HB3 PRO 40 2HB PRO 40 24.753 2.885 2.796 276 HG2 PRO 40 1HG PRO 40 22.908 4.751 4.238 277 HG3 PRO 40 2HG PRO 40 24.305 5.129 3.213 278 HD2 PRO 40 1HD PRO 40 21.755 5.290 2.317 279 HD3 PRO 40 2HD PRO 40 23.112 4.842 1.263 280 H SER 41 H SER 41 20.293 2.878 3.381 281 HA SER 41 HA SER 41 19.857 2.498 5.996 282 HB2 SER 41 1HB SER 41 18.126 3.123 4.281 283 HB3 SER 41 2HB SER 41 17.952 1.407 3.913 284 HG SER 41 HG SER 41 16.888 2.831 5.940 285 H GLY 42 H GLY 42 20.672 0.950 7.261 286 HA2 GLY 42 1HA GLY 42 20.950 -1.129 8.202 287 HA3 GLY 42 2HA GLY 42 19.689 -1.708 7.123 288 HA PRO 43 HA PRO 43 24.074 -2.205 5.043 289 HB2 PRO 43 1HB PRO 43 26.046 -2.663 6.852 290 HB3 PRO 43 2HB PRO 43 25.652 -1.049 6.248 291 HG2 PRO 43 1HG PRO 43 24.843 -2.360 8.815 292 HG3 PRO 43 2HG PRO 43 25.398 -0.700 8.533 293 HD2 PRO 43 1HD PRO 43 22.782 -1.331 8.834 294 HD3 PRO 43 2HD PRO 43 23.331 -0.001 7.793 295 H SER 44 H SER 44 23.207 -3.825 8.059 296 HA SER 44 HA SER 44 24.290 -6.360 7.206 297 HB2 SER 44 1HB SER 44 23.424 -7.219 9.314 298 HB3 SER 44 2HB SER 44 24.255 -5.690 9.597 299 HG SER 44 HG SER 44 22.101 -4.716 9.452 300 H SER 45 H SER 45 21.115 -4.850 7.462 301 HA SER 45 HA SER 45 20.019 -7.059 5.856 302 HB2 SER 45 1HB SER 45 19.316 -7.108 8.307 303 HB3 SER 45 2HB SER 45 18.430 -5.619 7.982 304 HG SER 45 HG SER 45 17.052 -6.691 6.710 305 H GLY 46 H GLY 46 19.289 -6.354 3.969 306 HA2 GLY 46 1HA GLY 46 17.839 -3.824 3.829 307 HA3 GLY 46 2HA GLY 46 19.298 -3.949 2.859 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -22.537 -6.588 13.623 2 HA2 GLY 1 1HA GLY 1 -22.653 -5.445 11.628 3 HA3 GLY 1 2HA GLY 1 -21.223 -4.621 12.230 4 H SER 2 H SER 2 -21.986 -7.836 10.882 5 HA SER 2 HA SER 2 -19.470 -7.760 9.399 6 HB2 SER 2 1HB SER 2 -19.872 -9.810 10.605 7 HB3 SER 2 2HB SER 2 -21.470 -9.980 9.879 8 HG SER 2 HG SER 2 -19.049 -9.967 8.400 9 H SER 3 H SER 3 -19.347 -8.046 7.159 10 HA SER 3 HA SER 3 -21.467 -6.819 5.685 11 HB2 SER 3 1HB SER 3 -18.981 -6.599 5.200 12 HB3 SER 3 2HB SER 3 -19.059 -8.225 4.522 13 HG SER 3 HG SER 3 -19.702 -7.283 2.768 14 H GLY 4 H GLY 4 -20.069 -10.088 5.757 15 HA2 GLY 4 1HA GLY 4 -21.566 -11.997 5.663 16 HA3 GLY 4 2HA GLY 4 -22.588 -11.069 4.576 17 H SER 5 H SER 5 -22.596 -12.380 2.820 18 HA SER 5 HA SER 5 -20.124 -13.497 1.802 19 HB2 SER 5 1HB SER 5 -21.580 -14.520 0.075 20 HB3 SER 5 2HB SER 5 -22.143 -14.864 1.710 21 HG SER 5 HG SER 5 -23.666 -14.027 -0.066 22 H SER 6 H SER 6 -18.986 -11.588 1.265 23 HA SER 6 HA SER 6 -20.064 -9.697 -0.602 24 HB2 SER 6 1HB SER 6 -17.223 -10.105 0.363 25 HB3 SER 6 2HB SER 6 -17.789 -8.725 -0.577 26 HG SER 6 HG SER 6 -17.875 -8.096 1.527 27 H GLY 7 H GLY 7 -17.530 -12.195 -0.779 28 HA2 GLY 7 1HA GLY 7 -17.120 -13.612 -2.603 29 HA3 GLY 7 2HA GLY 7 -18.175 -12.610 -3.589 30 H THR 8 H THR 8 -17.184 -11.512 -5.131 31 HA THR 8 HA THR 8 -14.471 -11.464 -5.593 32 HB THR 8 HB THR 8 -16.402 -9.303 -6.453 33 HG1 THR 8 1HG THR 8 -15.711 -11.619 -7.935 34 HG21 THR 8 3HG2 THR 8 -14.735 -8.469 -7.674 35 HG22 THR 8 1HG2 THR 8 -14.398 -10.051 -8.375 36 HG23 THR 8 2HG2 THR 8 -13.638 -9.579 -6.855 37 H GLY 9 H GLY 9 -13.116 -10.864 -3.966 38 HA2 GLY 9 1HA GLY 9 -12.955 -8.022 -3.399 39 HA3 GLY 9 2HA GLY 9 -13.297 -9.040 -2.008 40 H GLU 10 H GLU 10 -11.008 -8.738 -4.716 41 HA GLU 10 HA GLU 10 -8.843 -9.368 -2.840 42 HB2 GLU 10 1HB GLU 10 -9.281 -10.648 -5.539 43 HB3 GLU 10 2HB GLU 10 -7.755 -10.721 -4.670 44 HG2 GLU 10 1HG GLU 10 -10.309 -11.657 -3.419 45 HG3 GLU 10 2HG GLU 10 -9.358 -12.701 -4.474 46 H LYS 11 H LYS 11 -6.655 -8.916 -3.921 47 HA LYS 11 HA LYS 11 -6.883 -6.358 -5.354 48 HB2 LYS 11 1HB LYS 11 -4.515 -7.398 -3.793 49 HB3 LYS 11 2HB LYS 11 -4.728 -5.775 -4.436 50 HG2 LYS 11 1HG LYS 11 -6.193 -5.162 -2.791 51 HG3 LYS 11 2HG LYS 11 -6.740 -6.817 -2.509 52 HD2 LYS 11 1HD LYS 11 -4.833 -7.350 -1.252 53 HD3 LYS 11 2HD LYS 11 -3.940 -5.951 -1.851 54 HE2 LYS 11 1HE LYS 11 -5.331 -4.455 -0.588 55 HE3 LYS 11 2HE LYS 11 -6.398 -5.775 -0.114 56 HZ1 LYS 11 3HZ LYS 11 -3.537 -5.544 0.649 57 HZ2 LYS 11 1HZ LYS 11 -4.611 -6.751 1.151 58 HZ3 LYS 11 2HZ LYS 11 -4.843 -5.152 1.650 59 HA PRO 12 HA PRO 12 -5.271 -8.753 -8.796 60 HB2 PRO 12 1HB PRO 12 -5.602 -6.776 -10.627 61 HB3 PRO 12 2HB PRO 12 -6.929 -7.802 -10.070 62 HG2 PRO 12 1HG PRO 12 -6.185 -5.033 -9.208 63 HG3 PRO 12 2HG PRO 12 -7.790 -5.706 -9.547 64 HD2 PRO 12 1HD PRO 12 -6.840 -5.404 -7.030 65 HD3 PRO 12 2HD PRO 12 -7.939 -6.722 -7.484 66 H TYR 13 H TYR 13 -4.344 -5.457 -7.916 67 HA TYR 13 HA TYR 13 -1.882 -5.565 -9.409 68 HB2 TYR 13 1HB TYR 13 -2.615 -3.549 -7.288 69 HB3 TYR 13 2HB TYR 13 -1.485 -3.352 -8.623 70 HD1 TYR 13 2HD TYR 13 -5.035 -3.475 -7.682 71 HD2 TYR 13 1HD TYR 13 -2.260 -2.811 -10.839 72 HE1 TYR 13 2HE TYR 13 -6.835 -2.512 -9.054 73 HE2 TYR 13 1HE TYR 13 -4.052 -1.845 -12.219 74 HH TYR 13 HH TYR 13 -7.356 -1.502 -10.962 75 H ARG 14 H ARG 14 -0.030 -6.410 -8.738 76 HA ARG 14 HA ARG 14 0.456 -6.650 -5.846 77 HB2 ARG 14 1HB ARG 14 -0.215 -8.811 -7.232 78 HB3 ARG 14 2HB ARG 14 1.486 -8.768 -7.677 79 HG2 ARG 14 1HG ARG 14 2.138 -8.892 -5.357 80 HG3 ARG 14 2HG ARG 14 0.450 -8.806 -4.850 81 HD2 ARG 14 1HD ARG 14 1.154 -11.094 -4.752 82 HD3 ARG 14 2HD ARG 14 0.032 -10.915 -6.100 83 HE ARG 14 HE ARG 14 2.823 -10.688 -6.804 84 HH11 ARG 14 2HH1 ARG 14 0.087 -12.808 -6.430 85 HH12 ARG 14 1HH1 ARG 14 0.714 -14.020 -7.497 86 HH21 ARG 14 2HH2 ARG 14 3.660 -12.276 -8.212 87 HH22 ARG 14 1HH2 ARG 14 2.747 -13.717 -8.510 88 H CYS 15 H CYS 15 2.240 -5.609 -5.289 89 HA CYS 15 HA CYS 15 3.980 -4.299 -6.947 90 HB2 CYS 15 1HB CYS 15 4.045 -3.752 -4.649 91 HB3 CYS 15 2HB CYS 15 4.372 -5.416 -4.177 92 H GLY 16 H GLY 16 6.099 -4.689 -7.706 93 HA2 GLY 16 1HA GLY 16 6.575 -7.515 -8.325 94 HA3 GLY 16 2HA GLY 16 7.277 -6.141 -9.167 95 H GLU 17 H GLU 17 8.033 -4.809 -6.653 96 HA GLU 17 HA GLU 17 10.639 -5.843 -6.405 97 HB2 GLU 17 1HB GLU 17 9.740 -3.472 -5.886 98 HB3 GLU 17 2HB GLU 17 9.345 -4.128 -4.304 99 HG2 GLU 17 1HG GLU 17 11.510 -2.951 -4.368 100 HG3 GLU 17 2HG GLU 17 11.645 -4.637 -3.872 101 H CYS 18 H CYS 18 8.241 -5.606 -3.778 102 HA CYS 18 HA CYS 18 9.503 -7.871 -2.452 103 HB2 CYS 18 1HB CYS 18 8.062 -7.290 -0.549 104 HB3 CYS 18 2HB CYS 18 8.970 -5.891 -1.113 105 H GLY 19 H GLY 19 6.326 -6.940 -3.730 106 HA2 GLY 19 1HA GLY 19 5.157 -8.729 -4.986 107 HA3 GLY 19 2HA GLY 19 5.583 -9.800 -3.659 108 H LYS 20 H LYS 20 4.714 -6.623 -2.753 109 HA LYS 20 HA LYS 20 2.548 -7.464 -1.175 110 HB2 LYS 20 1HB LYS 20 3.718 -4.859 -1.979 111 HB3 LYS 20 2HB LYS 20 2.059 -4.828 -1.394 112 HG2 LYS 20 1HG LYS 20 3.058 -6.261 0.563 113 HG3 LYS 20 2HG LYS 20 4.569 -5.509 0.049 114 HD2 LYS 20 1HD LYS 20 3.806 -4.009 1.632 115 HD3 LYS 20 2HD LYS 20 3.184 -3.304 0.137 116 HE2 LYS 20 1HE LYS 20 1.045 -4.583 0.587 117 HE3 LYS 20 2HE LYS 20 1.693 -4.923 2.191 118 HZ1 LYS 20 3HZ LYS 20 1.445 -2.779 2.849 119 HZ2 LYS 20 1HZ LYS 20 0.188 -2.834 1.718 120 HZ3 LYS 20 2HZ LYS 20 1.672 -2.139 1.299 121 H ALA 21 H ALA 21 0.412 -5.933 -1.471 122 HA ALA 21 HA ALA 21 -0.514 -5.990 -4.225 123 HB1 ALA 21 3HB ALA 21 -1.013 -8.240 -3.570 124 HB2 ALA 21 1HB ALA 21 -1.767 -7.688 -2.074 125 HB3 ALA 21 2HB ALA 21 -2.524 -7.332 -3.627 126 H PHE 22 H PHE 22 -2.627 -4.965 -4.487 127 HA PHE 22 HA PHE 22 -3.770 -3.529 -2.275 128 HB2 PHE 22 1HB PHE 22 -2.463 -1.922 -4.478 129 HB3 PHE 22 2HB PHE 22 -3.328 -1.288 -3.082 130 HD1 PHE 22 1HD PHE 22 -0.306 -3.156 -4.112 131 HD2 PHE 22 2HD PHE 22 -2.228 -0.916 -1.046 132 HE1 PHE 22 1HE PHE 22 1.804 -3.081 -2.848 133 HE2 PHE 22 2HE PHE 22 -0.121 -0.837 0.222 134 HZ PHE 22 HZ PHE 22 1.899 -1.920 -0.679 135 H ALA 23 H ALA 23 -5.843 -2.893 -2.679 136 HA ALA 23 HA ALA 23 -7.181 -4.026 -4.893 137 HB1 ALA 23 3HB ALA 23 -8.626 -3.859 -3.153 138 HB2 ALA 23 1HB ALA 23 -7.941 -2.335 -2.585 139 HB3 ALA 23 2HB ALA 23 -9.037 -2.350 -3.968 140 H GLN 24 H GLN 24 -6.025 -0.775 -4.202 141 HA GLN 24 HA GLN 24 -6.805 0.010 -6.932 142 HB2 GLN 24 1HB GLN 24 -6.844 1.572 -4.367 143 HB3 GLN 24 2HB GLN 24 -6.718 2.394 -5.917 144 HG2 GLN 24 1HG GLN 24 -8.968 2.435 -5.665 145 HG3 GLN 24 2HG GLN 24 -8.807 0.882 -6.484 146 HE21 GLN 24 1HE2 GLN 24 -9.878 -0.723 -5.601 147 HE22 GLN 24 2HE2 GLN 24 -10.337 -0.857 -3.941 148 H LYS 25 H LYS 25 -5.331 1.162 -8.158 149 HA LYS 25 HA LYS 25 -2.624 0.595 -7.806 150 HB2 LYS 25 1HB LYS 25 -4.190 2.398 -9.578 151 HB3 LYS 25 2HB LYS 25 -2.460 2.688 -9.463 152 HG2 LYS 25 1HG LYS 25 -3.691 0.037 -10.179 153 HG3 LYS 25 2HG LYS 25 -3.116 1.225 -11.351 154 HD2 LYS 25 1HD LYS 25 -1.457 -0.158 -9.243 155 HD3 LYS 25 2HD LYS 25 -1.428 -0.484 -10.977 156 HE2 LYS 25 1HE LYS 25 -0.573 2.037 -9.566 157 HE3 LYS 25 2HE LYS 25 0.449 0.902 -10.447 158 HZ1 LYS 25 3HZ LYS 25 -0.587 1.532 -12.489 159 HZ2 LYS 25 1HZ LYS 25 -0.088 2.944 -11.702 160 HZ3 LYS 25 2HZ LYS 25 -1.720 2.501 -11.691 161 H ALA 26 H ALA 26 -4.307 3.705 -7.346 162 HA ALA 26 HA ALA 26 -2.299 5.332 -6.548 163 HB1 ALA 26 3HB ALA 26 -4.856 5.260 -4.978 164 HB2 ALA 26 1HB ALA 26 -3.872 6.653 -5.427 165 HB3 ALA 26 2HB ALA 26 -4.810 5.803 -6.656 166 H ASN 27 H ASN 27 -3.669 2.682 -4.716 167 HA ASN 27 HA ASN 27 -2.326 3.369 -2.268 168 HB2 ASN 27 1HB ASN 27 -4.492 2.063 -2.430 169 HB3 ASN 27 2HB ASN 27 -3.535 0.698 -2.997 170 HD21 ASN 27 1HD2 ASN 27 -4.945 0.225 -0.843 171 HD22 ASN 27 2HD2 ASN 27 -3.972 0.211 0.585 172 H LEU 28 H LEU 28 -1.714 1.283 -5.017 173 HA LEU 28 HA LEU 28 0.538 -0.031 -3.799 174 HB2 LEU 28 1HB LEU 28 -0.472 -1.378 -5.369 175 HB3 LEU 28 2HB LEU 28 -0.753 -0.044 -6.486 176 HG LEU 28 HG LEU 28 1.730 -0.043 -6.929 177 HD11 LEU 28 1HD1 LEU 28 3.072 -1.848 -6.263 178 HD12 LEU 28 2HD1 LEU 28 1.687 -2.781 -5.697 179 HD13 LEU 28 3HD1 LEU 28 2.213 -1.354 -4.804 180 HD21 LEU 28 3HD2 LEU 28 1.591 -2.184 -8.304 181 HD22 LEU 28 1HD2 LEU 28 0.360 -0.956 -8.601 182 HD23 LEU 28 2HD2 LEU 28 -0.029 -2.376 -7.630 183 H THR 29 H THR 29 0.163 2.285 -6.483 184 HA THR 29 HA THR 29 2.765 2.751 -7.141 185 HB THR 29 HB THR 29 0.526 4.767 -6.934 186 HG1 THR 29 1HG THR 29 -0.048 3.845 -8.740 187 HG21 THR 29 3HG2 THR 29 3.246 5.032 -8.215 188 HG22 THR 29 1HG2 THR 29 2.597 5.997 -6.891 189 HG23 THR 29 2HG2 THR 29 1.899 6.131 -8.505 190 H GLN 30 H GLN 30 0.999 4.133 -4.404 191 HA GLN 30 HA GLN 30 3.099 5.843 -3.550 192 HB2 GLN 30 1HB GLN 30 1.783 6.260 -1.625 193 HB3 GLN 30 2HB GLN 30 0.645 6.035 -2.946 194 HG2 GLN 30 1HG GLN 30 -0.087 4.003 -2.153 195 HG3 GLN 30 2HG GLN 30 1.387 3.713 -1.231 196 HE21 GLN 30 1HE2 GLN 30 0.465 3.347 0.722 197 HE22 GLN 30 2HE2 GLN 30 -0.411 4.539 1.614 198 H HIS 31 H HIS 31 2.307 2.497 -2.971 199 HA HIS 31 HA HIS 31 3.960 2.120 -0.695 200 HB2 HIS 31 1HB HIS 31 2.474 0.386 -0.853 201 HB3 HIS 31 2HB HIS 31 2.521 0.366 -2.614 202 HD1 HIS 31 1HD HIS 31 4.137 -1.102 0.395 203 HD2 HIS 31 2HD HIS 31 4.577 -1.213 -3.734 204 HE1 HIS 31 1HE HIS 31 5.680 -3.034 -0.065 205 H GLN 32 H GLN 32 4.460 1.593 -4.166 206 HA GLN 32 HA GLN 32 6.937 0.397 -4.142 207 HB2 GLN 32 1HB GLN 32 6.079 2.535 -6.095 208 HB3 GLN 32 2HB GLN 32 7.265 1.268 -6.373 209 HG2 GLN 32 1HG GLN 32 5.201 -0.282 -5.794 210 HG3 GLN 32 2HG GLN 32 4.306 1.130 -6.352 211 HE21 GLN 32 1HE2 GLN 32 3.652 -0.558 -7.962 212 HE22 GLN 32 2HE2 GLN 32 4.612 -0.695 -9.392 213 H ARG 33 H ARG 33 6.116 3.724 -3.493 214 HA ARG 33 HA ARG 33 8.469 5.064 -3.859 215 HB2 ARG 33 1HB ARG 33 6.626 5.346 -1.478 216 HB3 ARG 33 2HB ARG 33 7.788 6.546 -2.027 217 HG2 ARG 33 1HG ARG 33 5.757 5.608 -3.972 218 HG3 ARG 33 2HG ARG 33 5.226 6.668 -2.665 219 HD2 ARG 33 1HD ARG 33 5.803 8.251 -4.194 220 HD3 ARG 33 2HD ARG 33 7.370 8.036 -3.415 221 HE ARG 33 HE ARG 33 6.924 6.321 -5.688 222 HH11 ARG 33 2HH1 ARG 33 8.092 9.411 -4.589 223 HH12 ARG 33 1HH1 ARG 33 9.115 9.660 -5.965 224 HH21 ARG 33 2HH2 ARG 33 8.267 6.637 -7.505 225 HH22 ARG 33 1HH2 ARG 33 9.213 8.082 -7.623 226 H ILE 34 H ILE 34 7.699 2.734 -1.370 227 HA ILE 34 HA ILE 34 9.854 3.277 0.370 228 HB ILE 34 HB ILE 34 9.307 1.329 1.504 229 HG12 ILE 34 1HG1 ILE 34 8.212 0.216 -1.088 230 HG13 ILE 34 2HG1 ILE 34 9.738 -0.233 -0.335 231 HG21 ILE 34 1HG2 ILE 34 6.641 1.207 0.520 232 HG22 ILE 34 2HG2 ILE 34 7.246 1.995 1.976 233 HG23 ILE 34 3HG2 ILE 34 7.188 2.882 0.454 234 HD11 ILE 34 3HD1 ILE 34 8.409 -1.020 1.640 235 HD12 ILE 34 1HD1 ILE 34 6.960 -0.779 0.665 236 HD13 ILE 34 2HD1 ILE 34 8.183 -1.943 0.155 237 H HIS 35 H HIS 35 9.560 1.313 -2.521 238 HA HIS 35 HA HIS 35 12.191 0.148 -2.190 239 HB2 HIS 35 1HB HIS 35 10.299 0.013 -4.548 240 HB3 HIS 35 2HB HIS 35 11.740 -0.973 -4.317 241 HD1 HIS 35 1HD HIS 35 11.543 -2.250 -1.740 242 HD2 HIS 35 2HD HIS 35 8.110 -1.422 -3.929 243 HE1 HIS 35 1HE HIS 35 9.781 -3.802 -0.840 244 H THR 36 H THR 36 10.621 2.418 -4.431 245 HA THR 36 HA THR 36 12.953 2.995 -5.924 246 HB THR 36 HB THR 36 11.691 5.030 -6.680 247 HG1 THR 36 1HG THR 36 9.424 4.041 -5.352 248 HG21 THR 36 3HG2 THR 36 9.605 3.417 -7.372 249 HG22 THR 36 1HG2 THR 36 10.839 2.233 -6.942 250 HG23 THR 36 2HG2 THR 36 11.169 3.439 -8.186 251 H GLY 37 H GLY 37 14.714 3.641 -4.786 252 HA2 GLY 37 1HA GLY 37 15.789 5.788 -4.186 253 HA3 GLY 37 2HA GLY 37 14.399 6.085 -3.153 254 H GLU 38 H GLU 38 14.033 4.000 -1.644 255 HA GLU 38 HA GLU 38 14.762 3.068 0.308 256 HB2 GLU 38 1HB GLU 38 16.801 2.240 -1.724 257 HB3 GLU 38 2HB GLU 38 17.021 1.789 -0.040 258 HG2 GLU 38 1HG GLU 38 14.422 1.224 -1.385 259 HG3 GLU 38 2HG GLU 38 15.811 0.182 -1.690 260 H LYS 39 H LYS 39 15.296 5.790 0.177 261 HA LYS 39 HA LYS 39 17.999 6.088 1.277 262 HB2 LYS 39 1HB LYS 39 16.035 7.959 0.026 263 HB3 LYS 39 2HB LYS 39 17.197 8.608 1.175 264 HG2 LYS 39 1HG LYS 39 19.023 8.026 -0.171 265 HG3 LYS 39 2HG LYS 39 18.053 6.934 -1.162 266 HD2 LYS 39 1HD LYS 39 18.166 8.735 -2.566 267 HD3 LYS 39 2HD LYS 39 16.708 9.152 -1.664 268 HE2 LYS 39 1HE LYS 39 19.388 10.070 -0.704 269 HE3 LYS 39 2HE LYS 39 18.570 10.935 -2.004 270 HZ1 LYS 39 3HZ LYS 39 17.930 11.999 -0.035 271 HZ2 LYS 39 1HZ LYS 39 17.659 10.543 0.784 272 HZ3 LYS 39 2HZ LYS 39 16.603 11.032 -0.443 273 HA PRO 40 HA PRO 40 16.614 6.551 5.417 274 HB2 PRO 40 1HB PRO 40 18.357 8.405 6.362 275 HB3 PRO 40 2HB PRO 40 18.825 6.737 6.014 276 HG2 PRO 40 1HG PRO 40 19.203 9.196 4.350 277 HG3 PRO 40 2HG PRO 40 20.341 7.873 4.665 278 HD2 PRO 40 1HD PRO 40 18.911 8.051 2.372 279 HD3 PRO 40 2HD PRO 40 19.366 6.495 3.094 280 H SER 41 H SER 41 16.105 8.881 3.137 281 HA SER 41 HA SER 41 15.578 11.279 4.167 282 HB2 SER 41 1HB SER 41 13.876 9.584 2.361 283 HB3 SER 41 2HB SER 41 13.340 11.196 2.835 284 HG SER 41 HG SER 41 15.061 12.081 1.813 285 H GLY 42 H GLY 42 13.538 8.429 4.733 286 HA2 GLY 42 1HA GLY 42 12.876 8.641 7.287 287 HA3 GLY 42 2HA GLY 42 11.898 9.939 6.619 288 HA PRO 43 HA PRO 43 9.322 6.111 6.545 289 HB2 PRO 43 1HB PRO 43 7.054 7.357 7.367 290 HB3 PRO 43 2HB PRO 43 8.270 6.736 8.490 291 HG2 PRO 43 1HG PRO 43 7.845 9.534 7.516 292 HG3 PRO 43 2HG PRO 43 8.203 8.963 9.156 293 HD2 PRO 43 1HD PRO 43 10.099 10.012 7.533 294 HD3 PRO 43 2HD PRO 43 10.457 8.745 8.724 295 H SER 44 H SER 44 7.931 5.486 4.943 296 HA SER 44 HA SER 44 7.115 7.564 3.017 297 HB2 SER 44 1HB SER 44 8.854 6.187 2.037 298 HB3 SER 44 2HB SER 44 7.990 4.716 2.481 299 HG SER 44 HG SER 44 6.629 6.584 0.925 300 H SER 45 H SER 45 6.339 4.241 4.054 301 HA SER 45 HA SER 45 3.782 4.098 2.977 302 HB2 SER 45 1HB SER 45 3.382 2.268 4.516 303 HB3 SER 45 2HB SER 45 5.050 2.180 3.951 304 HG SER 45 HG SER 45 5.373 3.551 6.005 305 H GLY 46 H GLY 46 1.692 4.170 4.064 306 HA2 GLY 46 1HA GLY 46 0.886 6.533 5.023 307 HA3 GLY 46 2HA GLY 46 0.148 5.036 5.573 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -6.968 -12.123 13.181 2 HA2 GLY 1 1HA GLY 1 -8.365 -12.130 15.660 3 HA3 GLY 1 2HA GLY 1 -7.660 -10.726 14.873 4 H SER 2 H SER 2 -9.074 -10.655 12.507 5 HA SER 2 HA SER 2 -11.482 -9.415 13.343 6 HB2 SER 2 1HB SER 2 -11.830 -8.883 11.053 7 HB3 SER 2 2HB SER 2 -10.083 -8.847 11.286 8 HG SER 2 HG SER 2 -11.529 -10.372 9.620 9 H SER 3 H SER 3 -13.298 -10.389 13.913 10 HA SER 3 HA SER 3 -13.925 -13.015 12.737 11 HB2 SER 3 1HB SER 3 -13.718 -13.298 15.078 12 HB3 SER 3 2HB SER 3 -14.594 -11.806 15.418 13 HG SER 3 HG SER 3 -15.669 -14.059 15.522 14 H GLY 4 H GLY 4 -15.127 -12.500 10.968 15 HA2 GLY 4 1HA GLY 4 -17.081 -12.024 9.844 16 HA3 GLY 4 2HA GLY 4 -17.828 -11.676 11.396 17 H SER 5 H SER 5 -16.314 -10.366 8.594 18 HA SER 5 HA SER 5 -17.263 -7.727 9.274 19 HB2 SER 5 1HB SER 5 -14.336 -8.387 9.188 20 HB3 SER 5 2HB SER 5 -14.894 -6.788 8.694 21 HG SER 5 HG SER 5 -14.418 -6.764 10.889 22 H SER 6 H SER 6 -18.367 -7.306 7.478 23 HA SER 6 HA SER 6 -18.151 -8.393 4.997 24 HB2 SER 6 1HB SER 6 -19.354 -6.485 4.131 25 HB3 SER 6 2HB SER 6 -19.944 -6.820 5.759 26 HG SER 6 HG SER 6 -19.579 -4.696 5.823 27 H GLY 7 H GLY 7 -17.133 -7.873 3.043 28 HA2 GLY 7 1HA GLY 7 -15.671 -6.183 1.898 29 HA3 GLY 7 2HA GLY 7 -14.695 -6.232 3.359 30 H THR 8 H THR 8 -16.045 -8.480 0.944 31 HA THR 8 HA THR 8 -13.571 -10.057 1.154 32 HB THR 8 HB THR 8 -16.195 -10.899 -0.089 33 HG1 THR 8 1HG THR 8 -16.756 -11.035 1.959 34 HG21 THR 8 3HG2 THR 8 -13.542 -12.170 0.265 35 HG22 THR 8 1HG2 THR 8 -14.743 -12.392 -1.007 36 HG23 THR 8 2HG2 THR 8 -14.956 -13.183 0.555 37 H GLY 9 H GLY 9 -12.259 -8.860 -0.229 38 HA2 GLY 9 1HA GLY 9 -12.832 -9.275 -3.065 39 HA3 GLY 9 2HA GLY 9 -12.583 -7.618 -2.536 40 H GLU 10 H GLU 10 -11.060 -9.661 -4.271 41 HA GLU 10 HA GLU 10 -8.518 -9.819 -2.877 42 HB2 GLU 10 1HB GLU 10 -9.619 -10.899 -5.430 43 HB3 GLU 10 2HB GLU 10 -7.875 -10.730 -5.284 44 HG2 GLU 10 1HG GLU 10 -7.792 -12.212 -3.443 45 HG3 GLU 10 2HG GLU 10 -9.545 -12.196 -3.265 46 H LYS 11 H LYS 11 -6.523 -9.202 -4.210 47 HA LYS 11 HA LYS 11 -6.975 -6.556 -5.428 48 HB2 LYS 11 1HB LYS 11 -4.567 -7.475 -3.847 49 HB3 LYS 11 2HB LYS 11 -4.792 -5.880 -4.552 50 HG2 LYS 11 1HG LYS 11 -6.324 -5.244 -2.970 51 HG3 LYS 11 2HG LYS 11 -6.819 -6.903 -2.626 52 HD2 LYS 11 1HD LYS 11 -4.908 -7.316 -1.323 53 HD3 LYS 11 2HD LYS 11 -4.067 -5.899 -1.956 54 HE2 LYS 11 1HE LYS 11 -4.724 -5.209 0.160 55 HE3 LYS 11 2HE LYS 11 -5.995 -4.562 -0.876 56 HZ1 LYS 11 3HZ LYS 11 -7.269 -5.542 0.701 57 HZ2 LYS 11 1HZ LYS 11 -6.116 -6.718 1.087 58 HZ3 LYS 11 2HZ LYS 11 -7.067 -6.890 -0.300 59 HA PRO 12 HA PRO 12 -5.216 -8.662 -8.970 60 HB2 PRO 12 1HB PRO 12 -5.590 -6.596 -10.690 61 HB3 PRO 12 2HB PRO 12 -6.891 -7.689 -10.206 62 HG2 PRO 12 1HG PRO 12 -6.236 -4.953 -9.182 63 HG3 PRO 12 2HG PRO 12 -7.818 -5.652 -9.576 64 HD2 PRO 12 1HD PRO 12 -6.899 -5.465 -7.035 65 HD3 PRO 12 2HD PRO 12 -7.955 -6.786 -7.574 66 H TYR 13 H TYR 13 -4.397 -5.392 -7.904 67 HA TYR 13 HA TYR 13 -1.924 -5.337 -9.376 68 HB2 TYR 13 1HB TYR 13 -2.746 -3.486 -7.138 69 HB3 TYR 13 2HB TYR 13 -1.588 -3.171 -8.425 70 HD1 TYR 13 2HD TYR 13 -5.166 -3.499 -7.620 71 HD2 TYR 13 1HD TYR 13 -2.310 -2.452 -10.594 72 HE1 TYR 13 2HE TYR 13 -6.955 -2.493 -8.975 73 HE2 TYR 13 1HE TYR 13 -4.091 -1.442 -11.957 74 HH TYR 13 HH TYR 13 -6.242 -0.753 -11.960 75 H ARG 14 H ARG 14 -0.058 -6.184 -8.750 76 HA ARG 14 HA ARG 14 0.432 -6.581 -5.877 77 HB2 ARG 14 1HB ARG 14 -0.194 -8.672 -7.392 78 HB3 ARG 14 2HB ARG 14 1.510 -8.573 -7.815 79 HG2 ARG 14 1HG ARG 14 2.147 -8.825 -5.507 80 HG3 ARG 14 2HG ARG 14 0.457 -8.778 -5.003 81 HD2 ARG 14 1HD ARG 14 1.125 -11.061 -5.015 82 HD3 ARG 14 2HD ARG 14 0.078 -10.816 -6.413 83 HE ARG 14 HE ARG 14 2.866 -10.514 -7.017 84 HH11 ARG 14 2HH1 ARG 14 0.263 -12.796 -6.646 85 HH12 ARG 14 1HH1 ARG 14 0.987 -13.987 -7.675 86 HH21 ARG 14 2HH2 ARG 14 3.829 -12.074 -8.373 87 HH22 ARG 14 1HH2 ARG 14 3.016 -13.576 -8.656 88 H CYS 15 H CYS 15 2.238 -5.623 -5.234 89 HA CYS 15 HA CYS 15 3.945 -4.171 -6.840 90 HB2 CYS 15 1HB CYS 15 4.001 -3.696 -4.534 91 HB3 CYS 15 2HB CYS 15 4.306 -5.377 -4.107 92 H GLY 16 H GLY 16 6.142 -4.493 -7.493 93 HA2 GLY 16 1HA GLY 16 6.643 -7.278 -8.274 94 HA3 GLY 16 2HA GLY 16 7.356 -5.856 -9.021 95 H GLU 17 H GLU 17 8.073 -4.627 -6.474 96 HA GLU 17 HA GLU 17 10.663 -5.674 -6.193 97 HB2 GLU 17 1HB GLU 17 9.025 -3.639 -4.787 98 HB3 GLU 17 2HB GLU 17 10.405 -4.282 -3.909 99 HG2 GLU 17 1HG GLU 17 10.607 -2.156 -5.444 100 HG3 GLU 17 2HG GLU 17 11.921 -3.321 -5.298 101 H CYS 18 H CYS 18 8.180 -5.574 -3.635 102 HA CYS 18 HA CYS 18 9.420 -7.898 -2.383 103 HB2 CYS 18 1HB CYS 18 7.941 -7.397 -0.482 104 HB3 CYS 18 2HB CYS 18 8.883 -5.987 -0.955 105 H GLY 19 H GLY 19 6.287 -6.886 -3.700 106 HA2 GLY 19 1HA GLY 19 5.125 -8.605 -5.048 107 HA3 GLY 19 2HA GLY 19 5.515 -9.738 -3.762 108 H LYS 20 H LYS 20 4.663 -6.608 -2.709 109 HA LYS 20 HA LYS 20 2.478 -7.475 -1.197 110 HB2 LYS 20 1HB LYS 20 3.638 -4.854 -1.950 111 HB3 LYS 20 2HB LYS 20 1.966 -4.835 -1.403 112 HG2 LYS 20 1HG LYS 20 2.965 -6.311 0.549 113 HG3 LYS 20 2HG LYS 20 4.449 -5.471 0.091 114 HD2 LYS 20 1HD LYS 20 3.620 -3.403 0.692 115 HD3 LYS 20 2HD LYS 20 1.939 -3.902 0.490 116 HE2 LYS 20 1HE LYS 20 3.764 -4.893 2.676 117 HE3 LYS 20 2HE LYS 20 2.621 -3.564 2.861 118 HZ1 LYS 20 3HZ LYS 20 1.368 -5.292 3.610 119 HZ2 LYS 20 1HZ LYS 20 2.108 -6.435 2.606 120 HZ3 LYS 20 2HZ LYS 20 0.962 -5.367 1.969 121 H ALA 21 H ALA 21 0.333 -5.947 -1.495 122 HA ALA 21 HA ALA 21 -0.575 -5.952 -4.250 123 HB1 ALA 21 3HB ALA 21 -1.041 -8.227 -3.735 124 HB2 ALA 21 1HB ALA 21 -1.754 -7.794 -2.181 125 HB3 ALA 21 2HB ALA 21 -2.574 -7.358 -3.680 126 H PHE 22 H PHE 22 -2.643 -4.906 -4.526 127 HA PHE 22 HA PHE 22 -3.849 -3.597 -2.250 128 HB2 PHE 22 1HB PHE 22 -2.591 -1.917 -4.429 129 HB3 PHE 22 2HB PHE 22 -3.491 -1.324 -3.037 130 HD1 PHE 22 1HD PHE 22 -0.449 -3.253 -3.951 131 HD2 PHE 22 2HD PHE 22 -2.378 -0.770 -1.081 132 HE1 PHE 22 1HE PHE 22 1.642 -3.125 -2.661 133 HE2 PHE 22 2HE PHE 22 -0.289 -0.637 0.212 134 HZ PHE 22 HZ PHE 22 1.725 -1.815 -0.578 135 H ALA 23 H ALA 23 -5.916 -2.831 -2.664 136 HA ALA 23 HA ALA 23 -7.257 -4.013 -4.882 137 HB1 ALA 23 3HB ALA 23 -8.034 -3.208 -2.406 138 HB2 ALA 23 1HB ALA 23 -8.706 -1.927 -3.416 139 HB3 ALA 23 2HB ALA 23 -9.135 -3.610 -3.723 140 H GLN 24 H GLN 24 -5.803 -0.938 -4.312 141 HA GLN 24 HA GLN 24 -6.824 -0.003 -6.908 142 HB2 GLN 24 1HB GLN 24 -6.622 1.485 -4.310 143 HB3 GLN 24 2HB GLN 24 -6.528 2.351 -5.838 144 HG2 GLN 24 1HG GLN 24 -8.715 1.973 -6.352 145 HG3 GLN 24 2HG GLN 24 -8.786 0.468 -5.437 146 HE21 GLN 24 1HE2 GLN 24 -9.781 0.517 -3.551 147 HE22 GLN 24 2HE2 GLN 24 -10.155 1.935 -2.638 148 H LYS 25 H LYS 25 -5.422 1.666 -7.916 149 HA LYS 25 HA LYS 25 -2.706 0.780 -7.912 150 HB2 LYS 25 1HB LYS 25 -4.325 2.746 -9.444 151 HB3 LYS 25 2HB LYS 25 -2.583 2.989 -9.425 152 HG2 LYS 25 1HG LYS 25 -3.565 0.263 -10.035 153 HG3 LYS 25 2HG LYS 25 -3.802 1.511 -11.261 154 HD2 LYS 25 1HD LYS 25 -1.698 0.328 -11.614 155 HD3 LYS 25 2HD LYS 25 -1.407 2.020 -11.202 156 HE2 LYS 25 1HE LYS 25 -0.698 1.484 -9.033 157 HE3 LYS 25 2HE LYS 25 -1.399 -0.132 -9.109 158 HZ1 LYS 25 3HZ LYS 25 1.028 0.860 -10.486 159 HZ2 LYS 25 1HZ LYS 25 0.271 -0.594 -10.908 160 HZ3 LYS 25 2HZ LYS 25 0.912 -0.393 -9.355 161 H ALA 26 H ALA 26 -4.122 4.001 -7.302 162 HA ALA 26 HA ALA 26 -1.972 5.394 -6.449 163 HB1 ALA 26 3HB ALA 26 -3.656 6.825 -6.182 164 HB2 ALA 26 1HB ALA 26 -4.820 5.520 -5.948 165 HB3 ALA 26 2HB ALA 26 -3.885 6.123 -4.580 166 H ASN 27 H ASN 27 -3.707 2.948 -4.599 167 HA ASN 27 HA ASN 27 -2.325 3.394 -2.153 168 HB2 ASN 27 1HB ASN 27 -4.568 2.145 -2.593 169 HB3 ASN 27 2HB ASN 27 -3.537 0.749 -2.899 170 HD21 ASN 27 1HD2 ASN 27 -4.886 0.009 -1.026 171 HD22 ASN 27 2HD2 ASN 27 -4.257 0.302 0.557 172 H LEU 28 H LEU 28 -1.775 1.335 -4.945 173 HA LEU 28 HA LEU 28 0.425 -0.063 -3.700 174 HB2 LEU 28 1HB LEU 28 -0.716 -1.396 -5.215 175 HB3 LEU 28 2HB LEU 28 -0.865 -0.097 -6.396 176 HG LEU 28 HG LEU 28 1.572 -0.314 -6.852 177 HD11 LEU 28 1HD1 LEU 28 1.612 -2.977 -5.563 178 HD12 LEU 28 2HD1 LEU 28 1.782 -1.572 -4.512 179 HD13 LEU 28 3HD1 LEU 28 2.920 -1.825 -5.836 180 HD21 LEU 28 3HD2 LEU 28 -0.232 -1.458 -8.175 181 HD22 LEU 28 1HD2 LEU 28 0.102 -2.913 -7.236 182 HD23 LEU 28 2HD2 LEU 28 1.359 -2.217 -8.259 183 H THR 29 H THR 29 0.138 2.068 -6.549 184 HA THR 29 HA THR 29 2.753 2.434 -7.189 185 HB THR 29 HB THR 29 0.535 4.480 -7.180 186 HG1 THR 29 1HG THR 29 1.729 2.843 -9.184 187 HG21 THR 29 3HG2 THR 29 2.609 5.712 -7.106 188 HG22 THR 29 1HG2 THR 29 1.967 5.774 -8.747 189 HG23 THR 29 2HG2 THR 29 3.305 4.691 -8.364 190 H GLN 30 H GLN 30 1.000 3.995 -4.552 191 HA GLN 30 HA GLN 30 3.091 5.760 -3.804 192 HB2 GLN 30 1HB GLN 30 1.791 6.257 -1.883 193 HB3 GLN 30 2HB GLN 30 0.647 5.970 -3.187 194 HG2 GLN 30 1HG GLN 30 -0.050 3.948 -2.310 195 HG3 GLN 30 2HG GLN 30 1.412 3.748 -1.346 196 HE21 GLN 30 1HE2 GLN 30 0.815 3.715 0.701 197 HE22 GLN 30 2HE2 GLN 30 -0.242 4.847 1.467 198 H HIS 31 H HIS 31 2.323 2.446 -3.020 199 HA HIS 31 HA HIS 31 4.025 2.216 -0.757 200 HB2 HIS 31 1HB HIS 31 2.537 0.479 -0.761 201 HB3 HIS 31 2HB HIS 31 2.531 0.346 -2.518 202 HD1 HIS 31 1HD HIS 31 4.213 -0.951 0.529 203 HD2 HIS 31 2HD HIS 31 4.571 -1.291 -3.596 204 HE1 HIS 31 1HE HIS 31 5.743 -2.910 0.146 205 H GLN 32 H GLN 32 4.445 1.508 -4.203 206 HA GLN 32 HA GLN 32 6.922 0.294 -4.154 207 HB2 GLN 32 1HB GLN 32 6.063 2.300 -6.240 208 HB3 GLN 32 2HB GLN 32 7.175 0.952 -6.446 209 HG2 GLN 32 1HG GLN 32 5.139 -0.504 -5.784 210 HG3 GLN 32 2HG GLN 32 4.200 0.928 -6.205 211 HE21 GLN 32 1HE2 GLN 32 3.883 -1.440 -7.558 212 HE22 GLN 32 2HE2 GLN 32 4.476 -1.266 -9.171 213 H ARG 33 H ARG 33 6.110 3.560 -3.451 214 HA ARG 33 HA ARG 33 8.510 4.867 -4.037 215 HB2 ARG 33 1HB ARG 33 6.699 5.472 -1.697 216 HB3 ARG 33 2HB ARG 33 7.785 6.586 -2.516 217 HG2 ARG 33 1HG ARG 33 5.380 5.288 -3.779 218 HG3 ARG 33 2HG ARG 33 5.420 6.921 -3.112 219 HD2 ARG 33 1HD ARG 33 7.348 6.029 -5.234 220 HD3 ARG 33 2HD ARG 33 5.747 6.649 -5.638 221 HE ARG 33 HE ARG 33 7.243 8.373 -3.894 222 HH11 ARG 33 2HH1 ARG 33 6.631 7.486 -7.204 223 HH12 ARG 33 1HH1 ARG 33 7.124 9.019 -7.843 224 HH21 ARG 33 2HH2 ARG 33 7.896 10.396 -4.723 225 HH22 ARG 33 1HH2 ARG 33 7.844 10.673 -6.431 226 H ILE 34 H ILE 34 7.801 2.520 -1.665 227 HA ILE 34 HA ILE 34 9.782 3.273 0.252 228 HB ILE 34 HB ILE 34 9.304 1.263 1.379 229 HG12 ILE 34 1HG1 ILE 34 8.048 0.214 -1.167 230 HG13 ILE 34 2HG1 ILE 34 9.643 -0.233 -0.572 231 HG21 ILE 34 1HG2 ILE 34 6.659 1.096 0.816 232 HG22 ILE 34 2HG2 ILE 34 7.386 2.343 1.829 233 HG23 ILE 34 3HG2 ILE 34 7.051 2.672 0.129 234 HD11 ILE 34 3HD1 ILE 34 8.293 -1.986 0.104 235 HD12 ILE 34 1HD1 ILE 34 8.403 -0.983 1.549 236 HD13 ILE 34 2HD1 ILE 34 6.957 -0.921 0.541 237 H HIS 35 H HIS 35 9.687 1.106 -2.523 238 HA HIS 35 HA HIS 35 12.338 0.078 -2.029 239 HB2 HIS 35 1HB HIS 35 10.640 -0.198 -4.516 240 HB3 HIS 35 2HB HIS 35 12.037 -1.177 -4.078 241 HD1 HIS 35 1HD HIS 35 11.612 -2.412 -1.567 242 HD2 HIS 35 2HD HIS 35 8.332 -1.455 -3.931 243 HE1 HIS 35 1HE HIS 35 9.735 -3.862 -0.732 244 H THR 36 H THR 36 10.824 2.255 -4.392 245 HA THR 36 HA THR 36 13.265 2.849 -5.742 246 HB THR 36 HB THR 36 12.006 4.631 -6.863 247 HG1 THR 36 1HG THR 36 10.720 5.214 -4.995 248 HG21 THR 36 3HG2 THR 36 9.871 2.791 -7.130 249 HG22 THR 36 1HG2 THR 36 11.339 1.854 -6.853 250 HG23 THR 36 2HG2 THR 36 11.265 3.003 -8.190 251 H GLY 37 H GLY 37 14.858 4.109 -5.048 252 HA2 GLY 37 1HA GLY 37 15.994 5.794 -3.979 253 HA3 GLY 37 2HA GLY 37 14.475 6.677 -3.946 254 H GLU 38 H GLU 38 15.852 7.215 -1.851 255 HA GLU 38 HA GLU 38 14.609 5.646 0.292 256 HB2 GLU 38 1HB GLU 38 16.608 5.525 1.574 257 HB3 GLU 38 2HB GLU 38 17.014 4.959 -0.040 258 HG2 GLU 38 1HG GLU 38 17.428 7.832 0.571 259 HG3 GLU 38 2HG GLU 38 18.542 6.660 1.274 260 H LYS 39 H LYS 39 14.098 6.801 2.152 261 HA LYS 39 HA LYS 39 14.469 9.720 1.978 262 HB2 LYS 39 1HB LYS 39 12.024 8.125 2.698 263 HB3 LYS 39 2HB LYS 39 12.223 9.782 3.254 264 HG2 LYS 39 1HG LYS 39 11.040 10.138 1.342 265 HG3 LYS 39 2HG LYS 39 12.684 10.234 0.706 266 HD2 LYS 39 1HD LYS 39 11.542 8.837 -0.795 267 HD3 LYS 39 2HD LYS 39 12.461 7.734 0.232 268 HE2 LYS 39 1HE LYS 39 10.231 7.783 1.654 269 HE3 LYS 39 2HE LYS 39 9.529 8.221 0.097 270 HZ1 LYS 39 3HZ LYS 39 11.166 5.801 0.634 271 HZ2 LYS 39 1HZ LYS 39 10.489 6.222 -0.859 272 HZ3 LYS 39 2HZ LYS 39 9.485 5.834 0.445 273 HA PRO 40 HA PRO 40 16.198 9.541 6.015 274 HB2 PRO 40 1HB PRO 40 15.580 12.028 6.909 275 HB3 PRO 40 2HB PRO 40 16.828 11.727 5.694 276 HG2 PRO 40 1HG PRO 40 13.996 12.625 5.321 277 HG3 PRO 40 2HG PRO 40 15.469 13.207 4.523 278 HD2 PRO 40 1HD PRO 40 13.762 11.468 3.341 279 HD3 PRO 40 2HD PRO 40 15.510 11.446 3.036 280 H SER 41 H SER 41 15.207 8.199 7.414 281 HA SER 41 HA SER 41 12.755 9.170 8.727 282 HB2 SER 41 1HB SER 41 13.453 6.357 7.874 283 HB3 SER 41 2HB SER 41 12.164 6.719 9.023 284 HG SER 41 HG SER 41 11.215 8.031 7.374 285 H GLY 42 H GLY 42 12.712 9.118 10.915 286 HA2 GLY 42 1HA GLY 42 13.668 9.182 13.017 287 HA3 GLY 42 2HA GLY 42 13.939 7.476 12.693 288 HA PRO 43 HA PRO 43 18.048 9.486 13.453 289 HB2 PRO 43 1HB PRO 43 18.938 7.565 15.153 290 HB3 PRO 43 2HB PRO 43 17.982 8.952 15.687 291 HG2 PRO 43 1HG PRO 43 17.100 6.147 15.125 292 HG3 PRO 43 2HG PRO 43 16.646 7.215 16.466 293 HD2 PRO 43 1HD PRO 43 15.052 6.824 14.312 294 HD3 PRO 43 2HD PRO 43 15.103 8.363 15.196 295 H SER 44 H SER 44 20.130 8.742 12.811 296 HA SER 44 HA SER 44 20.002 6.516 10.911 297 HB2 SER 44 1HB SER 44 21.929 8.823 11.218 298 HB3 SER 44 2HB SER 44 22.202 7.487 10.100 299 HG SER 44 HG SER 44 19.846 8.154 9.496 300 H SER 45 H SER 45 22.118 7.796 13.468 301 HA SER 45 HA SER 45 23.601 5.299 13.559 302 HB2 SER 45 1HB SER 45 23.913 7.999 14.818 303 HB3 SER 45 2HB SER 45 24.732 6.614 15.540 304 HG SER 45 HG SER 45 25.986 6.424 13.806 305 H GLY 46 H GLY 46 22.518 3.675 14.509 306 HA2 GLY 46 1HA GLY 46 22.196 2.725 16.767 307 HA3 GLY 46 2HA GLY 46 21.353 4.213 17.172 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.444 -25.481 15.679 2 HA2 GLY 1 1HA GLY 1 -17.576 -24.885 15.070 3 HA3 GLY 1 2HA GLY 1 -17.390 -23.508 16.146 4 H SER 2 H SER 2 -16.842 -21.511 15.317 5 HA SER 2 HA SER 2 -17.123 -21.285 12.406 6 HB2 SER 2 1HB SER 2 -17.349 -19.115 14.505 7 HB3 SER 2 2HB SER 2 -17.757 -18.970 12.795 8 HG SER 2 HG SER 2 -19.306 -20.726 13.242 9 H SER 3 H SER 3 -15.196 -21.361 11.431 10 HA SER 3 HA SER 3 -13.258 -19.302 12.017 11 HB2 SER 3 1HB SER 3 -11.409 -20.692 12.533 12 HB3 SER 3 2HB SER 3 -12.724 -21.282 13.549 13 HG SER 3 HG SER 3 -12.451 -23.136 12.625 14 H GLY 4 H GLY 4 -12.764 -18.501 10.092 15 HA2 GLY 4 1HA GLY 4 -11.931 -18.472 7.926 16 HA3 GLY 4 2HA GLY 4 -11.898 -20.229 7.949 17 H SER 5 H SER 5 -13.330 -17.596 6.563 18 HA SER 5 HA SER 5 -15.640 -19.209 5.709 19 HB2 SER 5 1HB SER 5 -17.037 -17.232 5.670 20 HB3 SER 5 2HB SER 5 -16.318 -17.381 7.273 21 HG SER 5 HG SER 5 -14.801 -15.917 5.526 22 H SER 6 H SER 6 -16.659 -18.037 3.677 23 HA SER 6 HA SER 6 -14.798 -18.290 1.592 24 HB2 SER 6 1HB SER 6 -17.626 -17.362 1.803 25 HB3 SER 6 2HB SER 6 -16.743 -16.991 0.322 26 HG SER 6 HG SER 6 -17.903 -19.257 0.960 27 H GLY 7 H GLY 7 -16.528 -15.331 2.603 28 HA2 GLY 7 1HA GLY 7 -15.822 -13.141 2.682 29 HA3 GLY 7 2HA GLY 7 -14.172 -13.731 2.553 30 H THR 8 H THR 8 -14.801 -11.421 1.301 31 HA THR 8 HA THR 8 -14.340 -12.121 -1.470 32 HB THR 8 HB THR 8 -16.652 -10.290 -0.812 33 HG1 THR 8 1HG THR 8 -16.535 -13.051 -1.364 34 HG21 THR 8 3HG2 THR 8 -15.950 -11.561 -3.449 35 HG22 THR 8 1HG2 THR 8 -15.339 -9.979 -2.969 36 HG23 THR 8 2HG2 THR 8 -17.075 -10.240 -3.139 37 H GLY 9 H GLY 9 -13.269 -10.526 -2.618 38 HA2 GLY 9 1HA GLY 9 -12.767 -8.107 -2.818 39 HA3 GLY 9 2HA GLY 9 -12.585 -8.102 -1.070 40 H GLU 10 H GLU 10 -11.135 -8.993 -4.112 41 HA GLU 10 HA GLU 10 -8.626 -9.616 -2.698 42 HB2 GLU 10 1HB GLU 10 -9.796 -10.635 -5.262 43 HB3 GLU 10 2HB GLU 10 -8.053 -10.643 -5.034 44 HG2 GLU 10 1HG GLU 10 -8.248 -12.065 -3.117 45 HG3 GLU 10 2HG GLU 10 -10.006 -11.944 -3.153 46 H LYS 11 H LYS 11 -6.637 -9.084 -4.032 47 HA LYS 11 HA LYS 11 -7.005 -6.465 -5.336 48 HB2 LYS 11 1HB LYS 11 -4.543 -7.363 -3.837 49 HB3 LYS 11 2HB LYS 11 -4.904 -5.748 -4.431 50 HG2 LYS 11 1HG LYS 11 -6.327 -5.280 -2.715 51 HG3 LYS 11 2HG LYS 11 -6.787 -6.970 -2.489 52 HD2 LYS 11 1HD LYS 11 -4.703 -7.455 -1.405 53 HD3 LYS 11 2HD LYS 11 -4.075 -5.851 -1.791 54 HE2 LYS 11 1HE LYS 11 -6.135 -5.010 -0.450 55 HE3 LYS 11 2HE LYS 11 -6.153 -6.644 0.212 56 HZ1 LYS 11 3HZ LYS 11 -3.592 -5.250 0.214 57 HZ2 LYS 11 1HZ LYS 11 -4.257 -6.297 1.365 58 HZ3 LYS 11 2HZ LYS 11 -4.763 -4.685 1.296 59 HA PRO 12 HA PRO 12 -5.326 -8.767 -8.800 60 HB2 PRO 12 1HB PRO 12 -5.691 -6.774 -10.607 61 HB3 PRO 12 2HB PRO 12 -7.001 -7.829 -10.062 62 HG2 PRO 12 1HG PRO 12 -6.303 -5.058 -9.167 63 HG3 PRO 12 2HG PRO 12 -7.897 -5.754 -9.514 64 HD2 PRO 12 1HD PRO 12 -6.951 -5.466 -6.994 65 HD3 PRO 12 2HD PRO 12 -8.028 -6.796 -7.463 66 H TYR 13 H TYR 13 -4.443 -5.486 -7.841 67 HA TYR 13 HA TYR 13 -1.997 -5.499 -9.361 68 HB2 TYR 13 1HB TYR 13 -2.744 -3.587 -7.149 69 HB3 TYR 13 2HB TYR 13 -1.615 -3.317 -8.472 70 HD1 TYR 13 2HD TYR 13 -5.149 -3.459 -7.515 71 HD2 TYR 13 1HD TYR 13 -2.408 -2.755 -10.692 72 HE1 TYR 13 2HE TYR 13 -6.959 -2.459 -8.847 73 HE2 TYR 13 1HE TYR 13 -4.211 -1.752 -12.033 74 HH TYR 13 HH TYR 13 -7.402 -1.178 -10.683 75 H ARG 14 H ARG 14 -0.099 -6.289 -8.743 76 HA ARG 14 HA ARG 14 0.427 -6.653 -5.875 77 HB2 ARG 14 1HB ARG 14 -0.251 -8.772 -7.321 78 HB3 ARG 14 2HB ARG 14 1.442 -8.700 -7.790 79 HG2 ARG 14 1HG ARG 14 2.125 -8.877 -5.474 80 HG3 ARG 14 2HG ARG 14 0.438 -8.858 -4.957 81 HD2 ARG 14 1HD ARG 14 0.986 -11.119 -4.935 82 HD3 ARG 14 2HD ARG 14 0.165 -10.910 -6.481 83 HE ARG 14 HE ARG 14 3.021 -10.623 -6.639 84 HH11 ARG 14 2HH1 ARG 14 0.359 -12.866 -6.698 85 HH12 ARG 14 1HH1 ARG 14 1.223 -14.069 -7.597 86 HH21 ARG 14 2HH2 ARG 14 4.169 -12.199 -7.822 87 HH22 ARG 14 1HH2 ARG 14 3.390 -13.689 -8.235 88 H CYS 15 H CYS 15 2.221 -5.632 -5.309 89 HA CYS 15 HA CYS 15 3.920 -4.257 -6.971 90 HB2 CYS 15 1HB CYS 15 4.006 -3.746 -4.666 91 HB3 CYS 15 2HB CYS 15 4.350 -5.416 -4.224 92 H GLY 16 H GLY 16 6.070 -4.611 -7.706 93 HA2 GLY 16 1HA GLY 16 6.554 -7.423 -8.397 94 HA3 GLY 16 2HA GLY 16 7.235 -6.028 -9.222 95 H GLU 17 H GLU 17 8.008 -4.723 -6.706 96 HA GLU 17 HA GLU 17 10.623 -5.736 -6.493 97 HB2 GLU 17 1HB GLU 17 9.550 -3.393 -5.859 98 HB3 GLU 17 2HB GLU 17 9.462 -4.129 -4.265 99 HG2 GLU 17 1HG GLU 17 11.482 -2.882 -4.397 100 HG3 GLU 17 2HG GLU 17 11.896 -4.595 -4.408 101 H CYS 18 H CYS 18 8.174 -5.621 -3.900 102 HA CYS 18 HA CYS 18 9.491 -7.887 -2.611 103 HB2 CYS 18 1HB CYS 18 8.069 -7.348 -0.678 104 HB3 CYS 18 2HB CYS 18 8.981 -5.942 -1.218 105 H GLY 19 H GLY 19 6.301 -6.928 -3.833 106 HA2 GLY 19 1HA GLY 19 5.122 -8.699 -5.110 107 HA3 GLY 19 2HA GLY 19 5.549 -9.787 -3.798 108 H LYS 20 H LYS 20 4.714 -6.632 -2.816 109 HA LYS 20 HA LYS 20 2.558 -7.469 -1.239 110 HB2 LYS 20 1HB LYS 20 3.712 -4.862 -2.055 111 HB3 LYS 20 2HB LYS 20 2.057 -4.833 -1.459 112 HG2 LYS 20 1HG LYS 20 3.122 -6.296 0.475 113 HG3 LYS 20 2HG LYS 20 4.583 -5.446 -0.033 114 HD2 LYS 20 1HD LYS 20 3.711 -4.054 1.612 115 HD3 LYS 20 2HD LYS 20 3.118 -3.321 0.120 116 HE2 LYS 20 1HE LYS 20 0.972 -4.433 0.412 117 HE3 LYS 20 2HE LYS 20 1.563 -5.221 1.874 118 HZ1 LYS 20 3HZ LYS 20 2.032 -2.643 2.422 119 HZ2 LYS 20 1HZ LYS 20 0.628 -3.469 2.880 120 HZ3 LYS 20 2HZ LYS 20 0.630 -2.512 1.486 121 H ALA 21 H ALA 21 0.423 -5.911 -1.524 122 HA ALA 21 HA ALA 21 -0.537 -5.980 -4.262 123 HB1 ALA 21 3HB ALA 21 -2.632 -7.254 -3.335 124 HB2 ALA 21 1HB ALA 21 -1.206 -8.140 -3.879 125 HB3 ALA 21 2HB ALA 21 -1.473 -7.868 -2.156 126 H PHE 22 H PHE 22 -2.651 -4.957 -4.502 127 HA PHE 22 HA PHE 22 -3.786 -3.543 -2.273 128 HB2 PHE 22 1HB PHE 22 -2.479 -1.922 -4.467 129 HB3 PHE 22 2HB PHE 22 -3.361 -1.292 -3.080 130 HD1 PHE 22 1HD PHE 22 -0.309 -3.109 -4.097 131 HD2 PHE 22 2HD PHE 22 -2.295 -0.951 -1.013 132 HE1 PHE 22 1HE PHE 22 1.787 -3.024 -2.811 133 HE2 PHE 22 2HE PHE 22 -0.203 -0.861 0.278 134 HZ PHE 22 HZ PHE 22 1.842 -1.898 -0.621 135 H ALA 23 H ALA 23 -5.859 -2.884 -2.666 136 HA ALA 23 HA ALA 23 -7.204 -4.009 -4.888 137 HB1 ALA 23 3HB ALA 23 -8.096 -2.065 -2.770 138 HB2 ALA 23 1HB ALA 23 -9.173 -2.718 -4.005 139 HB3 ALA 23 2HB ALA 23 -8.399 -3.801 -2.848 140 H GLN 24 H GLN 24 -5.952 -0.809 -4.204 141 HA GLN 24 HA GLN 24 -6.818 0.040 -6.889 142 HB2 GLN 24 1HB GLN 24 -6.853 1.490 -4.281 143 HB3 GLN 24 2HB GLN 24 -6.547 2.412 -5.748 144 HG2 GLN 24 1HG GLN 24 -8.649 1.967 -6.620 145 HG3 GLN 24 2HG GLN 24 -8.899 0.576 -5.566 146 HE21 GLN 24 1HE2 GLN 24 -8.728 1.250 -3.142 147 HE22 GLN 24 2HE2 GLN 24 -9.683 2.623 -2.710 148 H LYS 25 H LYS 25 -5.355 1.163 -8.150 149 HA LYS 25 HA LYS 25 -2.648 0.540 -7.869 150 HB2 LYS 25 1HB LYS 25 -4.226 2.366 -9.609 151 HB3 LYS 25 2HB LYS 25 -2.486 2.612 -9.547 152 HG2 LYS 25 1HG LYS 25 -3.808 -0.010 -10.210 153 HG3 LYS 25 2HG LYS 25 -3.231 1.155 -11.405 154 HD2 LYS 25 1HD LYS 25 -1.565 -0.283 -9.341 155 HD3 LYS 25 2HD LYS 25 -1.574 -0.582 -11.080 156 HE2 LYS 25 1HE LYS 25 -0.618 1.883 -9.637 157 HE3 LYS 25 2HE LYS 25 0.346 0.745 -10.576 158 HZ1 LYS 25 3HZ LYS 25 -1.591 1.614 -12.305 159 HZ2 LYS 25 1HZ LYS 25 0.028 2.103 -12.284 160 HZ3 LYS 25 2HZ LYS 25 -1.140 3.009 -11.462 161 H ALA 26 H ALA 26 -4.268 3.678 -7.380 162 HA ALA 26 HA ALA 26 -2.207 5.273 -6.645 163 HB1 ALA 26 3HB ALA 26 -3.771 6.491 -5.193 164 HB2 ALA 26 1HB ALA 26 -4.497 6.065 -6.743 165 HB3 ALA 26 2HB ALA 26 -4.901 5.141 -5.296 166 H ASN 27 H ASN 27 -3.650 2.717 -4.716 167 HA ASN 27 HA ASN 27 -2.239 3.380 -2.315 168 HB2 ASN 27 1HB ASN 27 -4.417 2.091 -2.445 169 HB3 ASN 27 2HB ASN 27 -3.477 0.713 -3.010 170 HD21 ASN 27 1HD2 ASN 27 -4.839 0.219 -0.857 171 HD22 ASN 27 2HD2 ASN 27 -3.863 0.229 0.568 172 H LEU 28 H LEU 28 -1.670 1.289 -5.066 173 HA LEU 28 HA LEU 28 0.584 -0.043 -3.865 174 HB2 LEU 28 1HB LEU 28 -0.452 -1.395 -5.411 175 HB3 LEU 28 2HB LEU 28 -0.747 -0.067 -6.531 176 HG LEU 28 HG LEU 28 1.699 -0.075 -7.059 177 HD11 LEU 28 1HD1 LEU 28 3.126 -1.751 -6.317 178 HD12 LEU 28 2HD1 LEU 28 1.800 -2.776 -5.769 179 HD13 LEU 28 3HD1 LEU 28 2.219 -1.320 -4.866 180 HD21 LEU 28 3HD2 LEU 28 0.254 -1.104 -8.621 181 HD22 LEU 28 1HD2 LEU 28 0.018 -2.514 -7.588 182 HD23 LEU 28 2HD2 LEU 28 1.579 -2.239 -8.361 183 H THR 29 H THR 29 0.220 2.196 -6.619 184 HA THR 29 HA THR 29 2.820 2.651 -7.273 185 HB THR 29 HB THR 29 0.590 4.683 -7.122 186 HG1 THR 29 1HG THR 29 0.948 4.221 -9.552 187 HG21 THR 29 3HG2 THR 29 3.226 4.906 -8.578 188 HG22 THR 29 1HG2 THR 29 2.803 5.785 -7.110 189 HG23 THR 29 2HG2 THR 29 1.912 6.081 -8.603 190 H GLN 30 H GLN 30 1.060 4.060 -4.553 191 HA GLN 30 HA GLN 30 3.166 5.800 -3.747 192 HB2 GLN 30 1HB GLN 30 1.844 6.273 -1.833 193 HB3 GLN 30 2HB GLN 30 0.718 6.047 -3.164 194 HG2 GLN 30 1HG GLN 30 -0.009 3.990 -2.367 195 HG3 GLN 30 2HG GLN 30 1.407 3.782 -1.338 196 HE21 GLN 30 1HE2 GLN 30 0.864 3.863 0.711 197 HE22 GLN 30 2HE2 GLN 30 -0.284 4.938 1.425 198 H HIS 31 H HIS 31 2.349 2.477 -3.097 199 HA HIS 31 HA HIS 31 3.968 2.141 -0.791 200 HB2 HIS 31 1HB HIS 31 2.485 0.407 -0.931 201 HB3 HIS 31 2HB HIS 31 2.545 0.355 -2.691 202 HD1 HIS 31 1HD HIS 31 4.181 -1.029 0.359 203 HD2 HIS 31 2HD HIS 31 4.558 -1.286 -3.770 204 HE1 HIS 31 1HE HIS 31 5.708 -2.983 -0.056 205 H GLN 32 H GLN 32 4.530 1.658 -4.249 206 HA GLN 32 HA GLN 32 7.010 0.423 -4.152 207 HB2 GLN 32 1HB GLN 32 6.217 2.504 -6.189 208 HB3 GLN 32 2HB GLN 32 7.342 1.170 -6.406 209 HG2 GLN 32 1HG GLN 32 5.302 -0.325 -5.891 210 HG3 GLN 32 2HG GLN 32 4.359 1.118 -6.260 211 HE21 GLN 32 1HE2 GLN 32 3.544 -0.359 -7.957 212 HE22 GLN 32 2HE2 GLN 32 4.394 -0.411 -9.460 213 H ARG 33 H ARG 33 6.147 3.647 -3.338 214 HA ARG 33 HA ARG 33 8.581 4.971 -3.778 215 HB2 ARG 33 1HB ARG 33 6.639 5.542 -1.536 216 HB3 ARG 33 2HB ARG 33 7.763 6.667 -2.287 217 HG2 ARG 33 1HG ARG 33 5.438 5.374 -3.696 218 HG3 ARG 33 2HG ARG 33 5.422 6.993 -2.993 219 HD2 ARG 33 1HD ARG 33 7.459 6.157 -5.037 220 HD3 ARG 33 2HD ARG 33 5.883 6.800 -5.497 221 HE ARG 33 HE ARG 33 7.346 8.447 -3.637 222 HH11 ARG 33 2HH1 ARG 33 6.738 7.715 -6.986 223 HH12 ARG 33 1HH1 ARG 33 7.237 9.274 -7.552 224 HH21 ARG 33 2HH2 ARG 33 8.004 10.504 -4.370 225 HH22 ARG 33 1HH2 ARG 33 7.957 10.860 -6.064 226 H ILE 34 H ILE 34 7.688 2.610 -1.465 227 HA ILE 34 HA ILE 34 9.537 3.306 0.585 228 HB ILE 34 HB ILE 34 8.991 1.274 1.625 229 HG12 ILE 34 1HG1 ILE 34 7.991 0.252 -1.042 230 HG13 ILE 34 2HG1 ILE 34 9.530 -0.182 -0.307 231 HG21 ILE 34 1HG2 ILE 34 6.992 2.212 1.958 232 HG22 ILE 34 2HG2 ILE 34 6.859 2.729 0.278 233 HG23 ILE 34 3HG2 ILE 34 6.399 1.089 0.734 234 HD11 ILE 34 3HD1 ILE 34 6.766 -0.878 0.621 235 HD12 ILE 34 1HD1 ILE 34 8.073 -1.961 0.145 236 HD13 ILE 34 2HD1 ILE 34 8.186 -1.051 1.652 237 H HIS 35 H HIS 35 9.677 1.252 -2.268 238 HA HIS 35 HA HIS 35 12.256 0.160 -1.616 239 HB2 HIS 35 1HB HIS 35 10.803 0.143 -4.269 240 HB3 HIS 35 2HB HIS 35 12.156 -0.886 -3.808 241 HD1 HIS 35 1HD HIS 35 11.470 -2.271 -1.392 242 HD2 HIS 35 2HD HIS 35 8.493 -1.224 -4.095 243 HE1 HIS 35 1HE HIS 35 9.536 -3.798 -0.888 244 H THR 36 H THR 36 11.036 2.567 -3.926 245 HA THR 36 HA THR 36 13.387 3.208 -5.223 246 HB THR 36 HB THR 36 12.416 5.434 -5.648 247 HG1 THR 36 1HG THR 36 10.390 5.924 -4.673 248 HG21 THR 36 3HG2 THR 36 10.376 4.685 -6.766 249 HG22 THR 36 1HG2 THR 36 10.388 3.200 -5.815 250 HG23 THR 36 2HG2 THR 36 11.674 3.511 -6.982 251 H GLY 37 H GLY 37 12.090 4.652 -2.235 252 HA2 GLY 37 1HA GLY 37 14.225 6.453 -1.828 253 HA3 GLY 37 2HA GLY 37 13.100 5.902 -0.596 254 H GLU 38 H GLU 38 13.631 3.206 -0.509 255 HA GLU 38 HA GLU 38 15.579 2.877 1.306 256 HB2 GLU 38 1HB GLU 38 14.141 1.041 0.691 257 HB3 GLU 38 2HB GLU 38 14.857 0.958 -0.912 258 HG2 GLU 38 1HG GLU 38 17.016 0.343 0.146 259 HG3 GLU 38 2HG GLU 38 16.188 0.288 1.701 260 H LYS 39 H LYS 39 17.667 3.324 1.393 261 HA LYS 39 HA LYS 39 19.252 3.150 -1.087 262 HB2 LYS 39 1HB LYS 39 20.638 4.960 -0.269 263 HB3 LYS 39 2HB LYS 39 18.955 5.470 -0.275 264 HG2 LYS 39 1HG LYS 39 18.792 5.351 2.058 265 HG3 LYS 39 2HG LYS 39 20.269 4.394 2.197 266 HD2 LYS 39 1HD LYS 39 20.336 7.165 1.056 267 HD3 LYS 39 2HD LYS 39 20.346 6.906 2.802 268 HE2 LYS 39 1HE LYS 39 22.358 5.596 2.645 269 HE3 LYS 39 2HE LYS 39 22.307 5.654 0.884 270 HZ1 LYS 39 3HZ LYS 39 22.335 8.217 2.258 271 HZ2 LYS 39 1HZ LYS 39 23.121 7.740 0.838 272 HZ3 LYS 39 2HZ LYS 39 23.762 7.313 2.344 273 HA PRO 40 HA PRO 40 21.842 0.208 0.900 274 HB2 PRO 40 1HB PRO 40 24.184 0.679 -0.391 275 HB3 PRO 40 2HB PRO 40 22.810 -0.127 -1.157 276 HG2 PRO 40 1HG PRO 40 23.684 2.729 -1.358 277 HG3 PRO 40 2HG PRO 40 23.122 1.638 -2.638 278 HD2 PRO 40 1HD PRO 40 21.520 3.508 -1.510 279 HD3 PRO 40 2HD PRO 40 20.902 1.954 -2.107 280 H SER 41 H SER 41 22.387 0.509 2.973 281 HA SER 41 HA SER 41 24.713 2.105 3.607 282 HB2 SER 41 1HB SER 41 23.608 3.437 5.344 283 HB3 SER 41 2HB SER 41 22.892 3.761 3.765 284 HG SER 41 HG SER 41 21.156 3.423 4.996 285 H GLY 42 H GLY 42 25.733 1.467 5.495 286 HA2 GLY 42 1HA GLY 42 25.535 0.355 7.689 287 HA3 GLY 42 2HA GLY 42 24.481 -0.811 6.902 288 HA PRO 43 HA PRO 43 28.743 -2.613 7.057 289 HB2 PRO 43 1HB PRO 43 27.926 -5.064 7.888 290 HB3 PRO 43 2HB PRO 43 28.268 -3.736 9.004 291 HG2 PRO 43 1HG PRO 43 25.634 -4.701 7.957 292 HG3 PRO 43 2HG PRO 43 26.073 -4.217 9.606 293 HD2 PRO 43 1HD PRO 43 24.736 -2.580 7.914 294 HD3 PRO 43 2HD PRO 43 25.872 -1.970 9.134 295 H SER 44 H SER 44 29.485 -4.686 5.984 296 HA SER 44 HA SER 44 28.895 -4.737 3.319 297 HB2 SER 44 1HB SER 44 30.830 -5.893 4.329 298 HB3 SER 44 2HB SER 44 29.748 -7.125 4.976 299 HG SER 44 HG SER 44 30.617 -7.859 3.045 300 H SER 45 H SER 45 27.544 -5.872 1.959 301 HA SER 45 HA SER 45 25.577 -7.693 3.098 302 HB2 SER 45 1HB SER 45 24.609 -5.382 3.271 303 HB3 SER 45 2HB SER 45 24.700 -5.269 1.514 304 HG SER 45 HG SER 45 23.004 -6.506 1.354 305 H GLY 46 H GLY 46 24.104 -8.544 1.284 306 HA2 GLY 46 1HA GLY 46 25.851 -9.199 -0.979 307 HA3 GLY 46 2HA GLY 46 24.441 -10.114 -0.467 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -22.233 -6.437 15.584 2 HA2 GLY 1 1HA GLY 1 -20.450 -4.316 16.257 3 HA3 GLY 1 2HA GLY 1 -20.138 -6.035 16.449 4 H SER 2 H SER 2 -19.536 -3.236 14.588 5 HA SER 2 HA SER 2 -18.722 -4.343 12.151 6 HB2 SER 2 1HB SER 2 -17.786 -1.855 13.594 7 HB3 SER 2 2HB SER 2 -17.322 -2.259 11.941 8 HG SER 2 HG SER 2 -19.432 -0.949 12.647 9 H SER 3 H SER 3 -17.370 -6.032 12.076 10 HA SER 3 HA SER 3 -14.997 -6.057 13.786 11 HB2 SER 3 1HB SER 3 -16.436 -8.155 12.186 12 HB3 SER 3 2HB SER 3 -14.775 -8.419 12.717 13 HG SER 3 HG SER 3 -15.707 -7.754 14.876 14 H GLY 4 H GLY 4 -12.920 -6.724 12.829 15 HA2 GLY 4 1HA GLY 4 -12.318 -5.109 10.542 16 HA3 GLY 4 2HA GLY 4 -11.190 -6.128 11.424 17 H SER 5 H SER 5 -13.839 -6.261 9.066 18 HA SER 5 HA SER 5 -13.500 -8.892 8.227 19 HB2 SER 5 1HB SER 5 -14.612 -8.174 6.128 20 HB3 SER 5 2HB SER 5 -15.436 -7.568 7.564 21 HG SER 5 HG SER 5 -13.974 -6.193 5.627 22 H SER 6 H SER 6 -12.833 -9.369 5.827 23 HA SER 6 HA SER 6 -10.018 -8.990 5.696 24 HB2 SER 6 1HB SER 6 -12.066 -10.364 4.013 25 HB3 SER 6 2HB SER 6 -10.487 -10.033 3.301 26 HG SER 6 HG SER 6 -9.636 -11.528 4.513 27 H GLY 7 H GLY 7 -12.703 -7.841 3.654 28 HA2 GLY 7 1HA GLY 7 -12.143 -5.293 3.223 29 HA3 GLY 7 2HA GLY 7 -10.875 -6.037 2.261 30 H THR 8 H THR 8 -12.534 -4.421 0.950 31 HA THR 8 HA THR 8 -14.931 -5.123 -0.038 32 HB THR 8 HB THR 8 -14.277 -4.195 -2.236 33 HG1 THR 8 1HG THR 8 -11.903 -3.341 -1.999 34 HG21 THR 8 3HG2 THR 8 -13.260 -2.717 0.191 35 HG22 THR 8 1HG2 THR 8 -14.874 -2.628 -0.512 36 HG23 THR 8 2HG2 THR 8 -13.491 -1.980 -1.394 37 H GLY 9 H GLY 9 -11.848 -6.510 -1.152 38 HA2 GLY 9 1HA GLY 9 -12.949 -9.074 -1.593 39 HA3 GLY 9 2HA GLY 9 -12.875 -8.205 -3.118 40 H GLU 10 H GLU 10 -11.163 -8.784 -4.263 41 HA GLU 10 HA GLU 10 -8.683 -9.468 -2.835 42 HB2 GLU 10 1HB GLU 10 -9.891 -10.426 -5.401 43 HB3 GLU 10 2HB GLU 10 -8.147 -10.492 -5.192 44 HG2 GLU 10 1HG GLU 10 -10.194 -11.803 -3.418 45 HG3 GLU 10 2HG GLU 10 -9.180 -12.608 -4.614 46 H LYS 11 H LYS 11 -6.656 -9.004 -4.117 47 HA LYS 11 HA LYS 11 -6.890 -6.368 -5.414 48 HB2 LYS 11 1HB LYS 11 -4.503 -7.401 -3.880 49 HB3 LYS 11 2HB LYS 11 -4.749 -5.772 -4.494 50 HG2 LYS 11 1HG LYS 11 -6.204 -5.209 -2.822 51 HG3 LYS 11 2HG LYS 11 -6.722 -6.877 -2.563 52 HD2 LYS 11 1HD LYS 11 -4.527 -7.377 -1.561 53 HD3 LYS 11 2HD LYS 11 -4.060 -5.689 -1.777 54 HE2 LYS 11 1HE LYS 11 -6.143 -5.129 -0.403 55 HE3 LYS 11 2HE LYS 11 -6.168 -6.838 0.030 56 HZ1 LYS 11 3HZ LYS 11 -3.578 -5.688 0.368 57 HZ2 LYS 11 1HZ LYS 11 -4.532 -6.536 1.479 58 HZ3 LYS 11 2HZ LYS 11 -4.744 -4.870 1.282 59 HA PRO 12 HA PRO 12 -5.288 -8.737 -8.874 60 HB2 PRO 12 1HB PRO 12 -5.586 -6.735 -10.684 61 HB3 PRO 12 2HB PRO 12 -6.929 -7.748 -10.142 62 HG2 PRO 12 1HG PRO 12 -6.148 -5.000 -9.248 63 HG3 PRO 12 2HG PRO 12 -7.762 -5.646 -9.599 64 HD2 PRO 12 1HD PRO 12 -6.815 -5.385 -7.076 65 HD3 PRO 12 2HD PRO 12 -7.931 -6.682 -7.547 66 H TYR 13 H TYR 13 -4.325 -5.450 -7.983 67 HA TYR 13 HA TYR 13 -1.858 -5.584 -9.461 68 HB2 TYR 13 1HB TYR 13 -2.564 -3.575 -7.324 69 HB3 TYR 13 2HB TYR 13 -1.435 -3.382 -8.659 70 HD1 TYR 13 2HD TYR 13 -4.963 -3.384 -7.679 71 HD2 TYR 13 1HD TYR 13 -2.229 -2.896 -10.902 72 HE1 TYR 13 2HE TYR 13 -6.753 -2.387 -9.039 73 HE2 TYR 13 1HE TYR 13 -4.011 -1.896 -12.270 74 HH TYR 13 HH TYR 13 -6.280 -1.630 -12.430 75 H ARG 14 H ARG 14 0.035 -6.346 -8.779 76 HA ARG 14 HA ARG 14 0.487 -6.660 -5.893 77 HB2 ARG 14 1HB ARG 14 -0.183 -8.803 -7.310 78 HB3 ARG 14 2HB ARG 14 1.522 -8.762 -7.736 79 HG2 ARG 14 1HG ARG 14 2.159 -8.935 -5.426 80 HG3 ARG 14 2HG ARG 14 0.475 -8.805 -4.915 81 HD2 ARG 14 1HD ARG 14 1.271 -10.974 -6.804 82 HD3 ARG 14 2HD ARG 14 1.645 -11.144 -5.089 83 HE ARG 14 HE ARG 14 -0.956 -11.280 -6.327 84 HH11 ARG 14 2HH1 ARG 14 0.816 -10.761 -3.375 85 HH12 ARG 14 1HH1 ARG 14 -0.511 -11.194 -2.349 86 HH21 ARG 14 2HH2 ARG 14 -2.711 -11.852 -4.986 87 HH22 ARG 14 1HH2 ARG 14 -2.516 -11.816 -3.266 88 H CYS 15 H CYS 15 2.271 -5.627 -5.318 89 HA CYS 15 HA CYS 15 4.025 -4.313 -6.961 90 HB2 CYS 15 1HB CYS 15 4.078 -3.768 -4.663 91 HB3 CYS 15 2HB CYS 15 4.387 -5.436 -4.190 92 H GLY 16 H GLY 16 6.222 -4.702 -7.591 93 HA2 GLY 16 1HA GLY 16 6.671 -7.529 -8.256 94 HA3 GLY 16 2HA GLY 16 7.388 -6.154 -9.084 95 H GLU 17 H GLU 17 8.136 -4.815 -6.590 96 HA GLU 17 HA GLU 17 10.725 -5.870 -6.296 97 HB2 GLU 17 1HB GLU 17 9.682 -3.495 -5.736 98 HB3 GLU 17 2HB GLU 17 9.547 -4.195 -4.129 99 HG2 GLU 17 1HG GLU 17 11.590 -3.126 -4.060 100 HG3 GLU 17 2HG GLU 17 12.033 -4.794 -4.418 101 H CYS 18 H CYS 18 8.242 -5.642 -3.745 102 HA CYS 18 HA CYS 18 9.489 -7.893 -2.372 103 HB2 CYS 18 1HB CYS 18 8.022 -7.299 -0.497 104 HB3 CYS 18 2HB CYS 18 8.937 -5.902 -1.054 105 H GLY 19 H GLY 19 6.372 -6.964 -3.776 106 HA2 GLY 19 1HA GLY 19 5.196 -8.731 -5.022 107 HA3 GLY 19 2HA GLY 19 5.615 -9.820 -3.708 108 H LYS 20 H LYS 20 4.728 -6.655 -2.769 109 HA LYS 20 HA LYS 20 2.549 -7.530 -1.222 110 HB2 LYS 20 1HB LYS 20 3.736 -4.914 -1.955 111 HB3 LYS 20 2HB LYS 20 2.067 -4.885 -1.401 112 HG2 LYS 20 1HG LYS 20 3.047 -6.379 0.538 113 HG3 LYS 20 2HG LYS 20 4.549 -5.574 0.076 114 HD2 LYS 20 1HD LYS 20 3.500 -3.400 0.399 115 HD3 LYS 20 2HD LYS 20 1.972 -4.182 0.809 116 HE2 LYS 20 1HE LYS 20 2.995 -5.202 2.762 117 HE3 LYS 20 2HE LYS 20 4.555 -4.501 2.335 118 HZ1 LYS 20 3HZ LYS 20 3.411 -3.227 4.057 119 HZ2 LYS 20 1HZ LYS 20 2.113 -2.949 3.008 120 HZ3 LYS 20 2HZ LYS 20 3.637 -2.305 2.657 121 H ALA 21 H ALA 21 0.424 -5.970 -1.515 122 HA ALA 21 HA ALA 21 -0.476 -5.989 -4.279 123 HB1 ALA 21 3HB ALA 21 -1.042 -8.219 -3.729 124 HB2 ALA 21 1HB ALA 21 -1.688 -7.744 -2.158 125 HB3 ALA 21 2HB ALA 21 -2.539 -7.292 -3.635 126 H PHE 22 H PHE 22 -2.605 -4.968 -4.536 127 HA PHE 22 HA PHE 22 -3.728 -3.525 -2.318 128 HB2 PHE 22 1HB PHE 22 -2.388 -1.954 -4.528 129 HB3 PHE 22 2HB PHE 22 -3.307 -1.282 -3.185 130 HD1 PHE 22 1HD PHE 22 -0.243 -3.170 -4.043 131 HD2 PHE 22 2HD PHE 22 -2.287 -0.846 -1.121 132 HE1 PHE 22 1HE PHE 22 1.816 -3.052 -2.702 133 HE2 PHE 22 2HE PHE 22 -0.231 -0.724 0.225 134 HZ PHE 22 HZ PHE 22 1.824 -1.826 -0.566 135 H ALA 23 H ALA 23 -5.808 -2.915 -2.700 136 HA ALA 23 HA ALA 23 -7.159 -4.038 -4.911 137 HB1 ALA 23 3HB ALA 23 -9.134 -3.222 -3.956 138 HB2 ALA 23 1HB ALA 23 -8.072 -3.526 -2.581 139 HB3 ALA 23 2HB ALA 23 -8.304 -1.879 -3.169 140 H GLN 24 H GLN 24 -6.013 -0.785 -4.210 141 HA GLN 24 HA GLN 24 -6.810 0.008 -6.933 142 HB2 GLN 24 1HB GLN 24 -6.954 1.491 -4.343 143 HB3 GLN 24 2HB GLN 24 -6.670 2.396 -5.824 144 HG2 GLN 24 1HG GLN 24 -8.742 1.864 -6.703 145 HG3 GLN 24 2HG GLN 24 -8.938 0.461 -5.653 146 HE21 GLN 24 1HE2 GLN 24 -9.826 0.708 -3.663 147 HE22 GLN 24 2HE2 GLN 24 -10.463 2.201 -3.071 148 H LYS 25 H LYS 25 -5.353 1.205 -8.147 149 HA LYS 25 HA LYS 25 -2.640 0.655 -7.812 150 HB2 LYS 25 1HB LYS 25 -4.225 2.477 -9.549 151 HB3 LYS 25 2HB LYS 25 -2.495 2.770 -9.439 152 HG2 LYS 25 1HG LYS 25 -3.728 0.130 -10.195 153 HG3 LYS 25 2HG LYS 25 -3.149 1.337 -11.346 154 HD2 LYS 25 1HD LYS 25 -1.500 -0.098 -9.265 155 HD3 LYS 25 2HD LYS 25 -1.462 -0.374 -11.008 156 HE2 LYS 25 1HE LYS 25 -0.607 2.100 -9.517 157 HE3 LYS 25 2HE LYS 25 0.414 0.992 -10.433 158 HZ1 LYS 25 3HZ LYS 25 0.095 2.302 -12.174 159 HZ2 LYS 25 1HZ LYS 25 -1.042 3.243 -11.347 160 HZ3 LYS 25 2HZ LYS 25 -1.537 1.858 -12.183 161 H ALA 26 H ALA 26 -4.330 3.758 -7.328 162 HA ALA 26 HA ALA 26 -2.340 5.384 -6.503 163 HB1 ALA 26 3HB ALA 26 -4.622 6.148 -6.617 164 HB2 ALA 26 1HB ALA 26 -5.069 5.134 -5.245 165 HB3 ALA 26 2HB ALA 26 -3.975 6.498 -5.015 166 H ASN 27 H ASN 27 -3.727 2.734 -4.667 167 HA ASN 27 HA ASN 27 -2.363 3.387 -2.229 168 HB2 ASN 27 1HB ASN 27 -4.531 2.046 -2.461 169 HB3 ASN 27 2HB ASN 27 -3.513 0.692 -2.942 170 HD21 ASN 27 1HD2 ASN 27 -5.003 0.266 -0.824 171 HD22 ASN 27 2HD2 ASN 27 -4.084 0.324 0.638 172 H LEU 28 H LEU 28 -1.767 1.295 -4.985 173 HA LEU 28 HA LEU 28 0.494 -0.015 -3.796 174 HB2 LEU 28 1HB LEU 28 -0.523 -1.330 -5.393 175 HB3 LEU 28 2HB LEU 28 -0.781 0.023 -6.491 176 HG LEU 28 HG LEU 28 1.703 0.011 -6.913 177 HD11 LEU 28 1HD1 LEU 28 2.131 -1.351 -4.791 178 HD12 LEU 28 2HD1 LEU 28 3.039 -1.782 -6.240 179 HD13 LEU 28 3HD1 LEU 28 1.651 -2.752 -5.749 180 HD21 LEU 28 3HD2 LEU 28 0.316 -0.876 -8.599 181 HD22 LEU 28 1HD2 LEU 28 -0.041 -2.322 -7.655 182 HD23 LEU 28 2HD2 LEU 28 1.570 -2.088 -8.332 183 H THR 29 H THR 29 0.121 2.351 -6.437 184 HA THR 29 HA THR 29 2.727 2.828 -7.079 185 HB THR 29 HB THR 29 0.485 4.839 -6.849 186 HG1 THR 29 1HG THR 29 0.016 4.207 -8.836 187 HG21 THR 29 3HG2 THR 29 3.179 5.131 -8.183 188 HG22 THR 29 1HG2 THR 29 2.609 6.025 -6.775 189 HG23 THR 29 2HG2 THR 29 1.836 6.263 -8.342 190 H GLN 30 H GLN 30 0.948 4.162 -4.328 191 HA GLN 30 HA GLN 30 3.037 5.865 -3.438 192 HB2 GLN 30 1HB GLN 30 1.719 6.226 -1.495 193 HB3 GLN 30 2HB GLN 30 0.592 6.055 -2.834 194 HG2 GLN 30 1HG GLN 30 -0.230 4.073 -2.078 195 HG3 GLN 30 2HG GLN 30 1.277 3.624 -1.281 196 HE21 GLN 30 1HE2 GLN 30 -1.807 4.347 -0.690 197 HE22 GLN 30 2HE2 GLN 30 -1.676 5.045 0.885 198 H HIS 31 H HIS 31 2.326 2.497 -3.004 199 HA HIS 31 HA HIS 31 3.983 2.104 -0.709 200 HB2 HIS 31 1HB HIS 31 2.470 0.389 -0.848 201 HB3 HIS 31 2HB HIS 31 2.497 0.363 -2.608 202 HD1 HIS 31 1HD HIS 31 4.213 -1.050 0.390 203 HD2 HIS 31 2HD HIS 31 4.448 -1.295 -3.751 204 HE1 HIS 31 1HE HIS 31 5.714 -3.012 -0.083 205 H GLN 32 H GLN 32 4.398 1.551 -4.191 206 HA GLN 32 HA GLN 32 6.866 0.347 -4.224 207 HB2 GLN 32 1HB GLN 32 6.017 2.500 -6.162 208 HB3 GLN 32 2HB GLN 32 7.138 1.179 -6.463 209 HG2 GLN 32 1HG GLN 32 5.170 -0.370 -5.992 210 HG3 GLN 32 2HG GLN 32 4.161 1.067 -6.145 211 HE21 GLN 32 1HE2 GLN 32 3.712 -0.965 -7.832 212 HE22 GLN 32 2HE2 GLN 32 4.259 -0.577 -9.425 213 H ARG 33 H ARG 33 6.093 3.713 -3.645 214 HA ARG 33 HA ARG 33 8.501 4.967 -4.026 215 HB2 ARG 33 1HB ARG 33 6.718 5.470 -1.642 216 HB3 ARG 33 2HB ARG 33 7.794 6.615 -2.431 217 HG2 ARG 33 1HG ARG 33 6.315 6.168 -4.517 218 HG3 ARG 33 2HG ARG 33 5.148 5.576 -3.333 219 HD2 ARG 33 1HD ARG 33 6.445 8.202 -2.830 220 HD3 ARG 33 2HD ARG 33 5.217 8.114 -4.092 221 HE ARG 33 HE ARG 33 3.606 7.776 -2.476 222 HH11 ARG 33 2HH1 ARG 33 6.782 7.592 -1.063 223 HH12 ARG 33 1HH1 ARG 33 6.200 7.629 0.569 224 HH21 ARG 33 2HH2 ARG 33 2.828 7.825 -0.332 225 HH22 ARG 33 1HH2 ARG 33 3.951 7.760 0.983 226 H ILE 34 H ILE 34 7.644 2.677 -1.566 227 HA ILE 34 HA ILE 34 9.679 3.260 0.303 228 HB ILE 34 HB ILE 34 9.166 1.224 1.353 229 HG12 ILE 34 1HG1 ILE 34 7.982 0.273 -1.265 230 HG13 ILE 34 2HG1 ILE 34 9.532 -0.234 -0.601 231 HG21 ILE 34 1HG2 ILE 34 7.209 2.166 1.852 232 HG22 ILE 34 2HG2 ILE 34 6.994 2.770 0.210 233 HG23 ILE 34 3HG2 ILE 34 6.508 1.124 0.614 234 HD11 ILE 34 3HD1 ILE 34 6.777 -0.846 0.403 235 HD12 ILE 34 1HD1 ILE 34 8.050 -1.962 -0.090 236 HD13 ILE 34 2HD1 ILE 34 8.209 -1.051 1.412 237 H HIS 35 H HIS 35 9.563 1.155 -2.527 238 HA HIS 35 HA HIS 35 12.229 0.140 -2.068 239 HB2 HIS 35 1HB HIS 35 10.511 -0.155 -4.538 240 HB3 HIS 35 2HB HIS 35 11.906 -1.135 -4.093 241 HD1 HIS 35 1HD HIS 35 11.465 -2.311 -1.540 242 HD2 HIS 35 2HD HIS 35 8.213 -1.437 -3.975 243 HE1 HIS 35 1HE HIS 35 9.588 -3.758 -0.700 244 H THR 36 H THR 36 10.650 2.355 -4.340 245 HA THR 36 HA THR 36 13.056 2.956 -5.763 246 HB THR 36 HB THR 36 11.741 4.792 -6.790 247 HG1 THR 36 1HG THR 36 10.060 5.496 -5.730 248 HG21 THR 36 3HG2 THR 36 9.751 3.099 -7.459 249 HG22 THR 36 1HG2 THR 36 10.900 1.962 -6.755 250 HG23 THR 36 2HG2 THR 36 11.387 2.984 -8.107 251 H GLY 37 H GLY 37 14.639 3.722 -4.413 252 HA2 GLY 37 1HA GLY 37 14.413 6.482 -3.624 253 HA3 GLY 37 2HA GLY 37 14.489 5.380 -2.257 254 H GLU 38 H GLU 38 16.467 5.706 -1.431 255 HA GLU 38 HA GLU 38 18.765 6.480 -2.728 256 HB2 GLU 38 1HB GLU 38 18.214 6.048 -0.177 257 HB3 GLU 38 2HB GLU 38 19.004 4.511 -0.497 258 HG2 GLU 38 1HG GLU 38 20.248 7.190 -1.059 259 HG3 GLU 38 2HG GLU 38 20.496 6.272 0.425 260 H LYS 39 H LYS 39 20.487 5.462 -3.702 261 HA LYS 39 HA LYS 39 20.202 2.582 -4.235 262 HB2 LYS 39 1HB LYS 39 20.940 2.956 -6.548 263 HB3 LYS 39 2HB LYS 39 19.433 3.796 -6.208 264 HG2 LYS 39 1HG LYS 39 20.534 5.446 -7.306 265 HG3 LYS 39 2HG LYS 39 21.087 5.787 -5.664 266 HD2 LYS 39 1HD LYS 39 23.102 4.399 -6.123 267 HD3 LYS 39 2HD LYS 39 22.562 4.242 -7.796 268 HE2 LYS 39 1HE LYS 39 22.527 6.795 -7.837 269 HE3 LYS 39 2HE LYS 39 23.446 6.715 -6.334 270 HZ1 LYS 39 3HZ LYS 39 25.271 6.440 -7.530 271 HZ2 LYS 39 1HZ LYS 39 24.380 6.457 -8.968 272 HZ3 LYS 39 2HZ LYS 39 24.658 4.995 -8.163 273 HA PRO 40 HA PRO 40 24.430 2.224 -3.102 274 HB2 PRO 40 1HB PRO 40 25.202 0.131 -4.650 275 HB3 PRO 40 2HB PRO 40 24.147 -0.052 -3.244 276 HG2 PRO 40 1HG PRO 40 23.427 0.086 -6.147 277 HG3 PRO 40 2HG PRO 40 22.798 -0.993 -4.888 278 HD2 PRO 40 1HD PRO 40 21.455 1.202 -5.730 279 HD3 PRO 40 2HD PRO 40 21.358 0.606 -4.061 280 H SER 41 H SER 41 25.975 3.615 -3.658 281 HA SER 41 HA SER 41 26.358 5.029 -5.898 282 HB2 SER 41 1HB SER 41 28.796 5.118 -5.356 283 HB3 SER 41 2HB SER 41 27.758 5.383 -3.955 284 HG SER 41 HG SER 41 28.117 2.832 -3.979 285 H GLY 42 H GLY 42 26.575 4.565 -7.978 286 HA2 GLY 42 1HA GLY 42 28.503 3.109 -9.216 287 HA3 GLY 42 2HA GLY 42 27.282 1.904 -8.837 288 HA PRO 43 HA PRO 43 26.293 4.598 -12.708 289 HB2 PRO 43 1HB PRO 43 27.549 3.198 -14.665 290 HB3 PRO 43 2HB PRO 43 28.304 4.554 -13.818 291 HG2 PRO 43 1HG PRO 43 28.640 1.614 -13.363 292 HG3 PRO 43 2HG PRO 43 29.871 2.889 -13.395 293 HD2 PRO 43 1HD PRO 43 28.888 1.871 -11.087 294 HD3 PRO 43 2HD PRO 43 29.413 3.560 -11.238 295 H SER 44 H SER 44 25.896 1.577 -11.446 296 HA SER 44 HA SER 44 24.546 0.248 -13.576 297 HB2 SER 44 1HB SER 44 25.592 -0.712 -11.368 298 HB3 SER 44 2HB SER 44 23.998 -0.375 -10.695 299 HG SER 44 HG SER 44 23.143 -1.648 -12.453 300 H SER 45 H SER 45 23.299 2.328 -14.058 301 HA SER 45 HA SER 45 21.039 2.876 -12.351 302 HB2 SER 45 1HB SER 45 20.386 4.392 -14.309 303 HB3 SER 45 2HB SER 45 21.894 4.775 -13.480 304 HG SER 45 HG SER 45 22.040 4.770 -15.808 305 H GLY 46 H GLY 46 18.901 3.230 -13.884 306 HA2 GLY 46 1HA GLY 46 17.652 2.080 -15.673 307 HA3 GLY 46 2HA GLY 46 18.424 0.595 -15.136 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -21.790 -23.725 10.249 2 HA2 GLY 1 1HA GLY 1 -21.485 -21.714 9.167 3 HA3 GLY 1 2HA GLY 1 -21.645 -21.048 10.785 4 H SER 2 H SER 2 -19.595 -21.481 8.136 5 HA SER 2 HA SER 2 -17.327 -20.436 9.698 6 HB2 SER 2 1HB SER 2 -17.417 -22.674 7.731 7 HB3 SER 2 2HB SER 2 -15.994 -21.632 7.719 8 HG SER 2 HG SER 2 -16.904 -23.392 9.682 9 H SER 3 H SER 3 -15.624 -19.495 8.076 10 HA SER 3 HA SER 3 -17.101 -17.766 6.201 11 HB2 SER 3 1HB SER 3 -14.806 -17.241 8.051 12 HB3 SER 3 2HB SER 3 -14.942 -16.297 6.568 13 HG SER 3 HG SER 3 -17.000 -16.581 8.502 14 H GLY 4 H GLY 4 -16.731 -18.169 4.130 15 HA2 GLY 4 1HA GLY 4 -14.234 -19.532 3.380 16 HA3 GLY 4 2HA GLY 4 -15.714 -19.517 2.432 17 H SER 5 H SER 5 -15.609 -18.324 0.662 18 HA SER 5 HA SER 5 -13.834 -15.971 0.666 19 HB2 SER 5 1HB SER 5 -12.917 -17.614 -0.826 20 HB3 SER 5 2HB SER 5 -14.490 -17.896 -1.572 21 HG SER 5 HG SER 5 -12.719 -15.752 -1.888 22 H SER 6 H SER 6 -15.314 -14.406 1.162 23 HA SER 6 HA SER 6 -16.951 -13.425 -0.925 24 HB2 SER 6 1HB SER 6 -19.145 -13.793 -0.082 25 HB3 SER 6 2HB SER 6 -18.344 -15.363 -0.032 26 HG SER 6 HG SER 6 -19.374 -13.903 1.995 27 H GLY 7 H GLY 7 -18.471 -11.617 0.012 28 HA2 GLY 7 1HA GLY 7 -18.780 -9.825 1.487 29 HA3 GLY 7 2HA GLY 7 -17.427 -10.409 2.444 30 H THR 8 H THR 8 -15.301 -10.407 0.947 31 HA THR 8 HA THR 8 -15.161 -7.735 -0.291 32 HB THR 8 HB THR 8 -12.988 -9.029 1.367 33 HG1 THR 8 1HG THR 8 -15.073 -8.016 2.339 34 HG21 THR 8 3HG2 THR 8 -13.207 -6.393 -0.065 35 HG22 THR 8 1HG2 THR 8 -11.952 -7.621 -0.217 36 HG23 THR 8 2HG2 THR 8 -12.066 -6.654 1.253 37 H GLY 9 H GLY 9 -13.695 -7.474 -2.017 38 HA2 GLY 9 1HA GLY 9 -13.315 -9.877 -3.576 39 HA3 GLY 9 2HA GLY 9 -12.963 -8.233 -4.086 40 H GLU 10 H GLU 10 -10.981 -8.933 -4.988 41 HA GLU 10 HA GLU 10 -8.889 -9.376 -2.964 42 HB2 GLU 10 1HB GLU 10 -9.355 -10.810 -5.554 43 HB3 GLU 10 2HB GLU 10 -7.718 -10.638 -4.935 44 HG2 GLU 10 1HG GLU 10 -8.748 -11.593 -2.742 45 HG3 GLU 10 2HG GLU 10 -10.013 -12.178 -3.821 46 H LYS 11 H LYS 11 -6.651 -8.923 -3.970 47 HA LYS 11 HA LYS 11 -6.842 -6.349 -5.372 48 HB2 LYS 11 1HB LYS 11 -4.493 -7.471 -3.837 49 HB3 LYS 11 2HB LYS 11 -4.665 -5.832 -4.451 50 HG2 LYS 11 1HG LYS 11 -6.147 -5.223 -2.808 51 HG3 LYS 11 2HG LYS 11 -6.688 -6.880 -2.531 52 HD2 LYS 11 1HD LYS 11 -4.873 -7.391 -1.201 53 HD3 LYS 11 2HD LYS 11 -3.859 -6.139 -1.925 54 HE2 LYS 11 1HE LYS 11 -5.320 -4.435 -0.833 55 HE3 LYS 11 2HE LYS 11 -6.148 -5.750 -0.001 56 HZ1 LYS 11 3HZ LYS 11 -4.240 -6.276 1.211 57 HZ2 LYS 11 1HZ LYS 11 -4.288 -4.585 1.236 58 HZ3 LYS 11 2HZ LYS 11 -3.221 -5.385 0.196 59 HA PRO 12 HA PRO 12 -5.276 -8.690 -8.878 60 HB2 PRO 12 1HB PRO 12 -5.620 -6.677 -10.666 61 HB3 PRO 12 2HB PRO 12 -6.944 -7.711 -10.118 62 HG2 PRO 12 1HG PRO 12 -6.188 -4.962 -9.208 63 HG3 PRO 12 2HG PRO 12 -7.797 -5.625 -9.546 64 HD2 PRO 12 1HD PRO 12 -6.824 -5.374 -7.032 65 HD3 PRO 12 2HD PRO 12 -7.930 -6.681 -7.502 66 H TYR 13 H TYR 13 -4.321 -5.439 -7.890 67 HA TYR 13 HA TYR 13 -1.870 -5.523 -9.419 68 HB2 TYR 13 1HB TYR 13 -2.589 -3.525 -7.276 69 HB3 TYR 13 2HB TYR 13 -1.470 -3.317 -8.619 70 HD1 TYR 13 2HD TYR 13 -5.001 -3.398 -7.630 71 HD2 TYR 13 1HD TYR 13 -2.274 -2.801 -10.841 72 HE1 TYR 13 2HE TYR 13 -6.811 -2.420 -8.978 73 HE2 TYR 13 1HE TYR 13 -4.077 -1.820 -12.198 74 HH TYR 13 HH TYR 13 -7.358 -2.045 -11.332 75 H ARG 14 H ARG 14 -0.042 -6.423 -8.761 76 HA ARG 14 HA ARG 14 0.455 -6.677 -5.872 77 HB2 ARG 14 1HB ARG 14 -0.225 -8.819 -7.289 78 HB3 ARG 14 2HB ARG 14 1.480 -8.781 -7.717 79 HG2 ARG 14 1HG ARG 14 2.125 -8.970 -5.417 80 HG3 ARG 14 2HG ARG 14 0.448 -8.809 -4.891 81 HD2 ARG 14 1HD ARG 14 1.321 -11.018 -6.727 82 HD3 ARG 14 2HD ARG 14 1.468 -11.162 -4.975 83 HE ARG 14 HE ARG 14 -0.957 -11.255 -6.534 84 HH11 ARG 14 2HH1 ARG 14 0.439 -10.725 -3.389 85 HH12 ARG 14 1HH1 ARG 14 -1.020 -11.103 -2.534 86 HH21 ARG 14 2HH2 ARG 14 -2.884 -11.755 -5.420 87 HH22 ARG 14 1HH2 ARG 14 -2.909 -11.690 -3.690 88 H CYS 15 H CYS 15 2.235 -5.629 -5.314 89 HA CYS 15 HA CYS 15 3.985 -4.329 -6.973 90 HB2 CYS 15 1HB CYS 15 4.052 -3.757 -4.686 91 HB3 CYS 15 2HB CYS 15 4.343 -5.421 -4.191 92 H GLY 16 H GLY 16 6.184 -4.722 -7.598 93 HA2 GLY 16 1HA GLY 16 6.630 -7.553 -8.249 94 HA3 GLY 16 2HA GLY 16 7.354 -6.183 -9.079 95 H GLU 17 H GLU 17 8.109 -4.832 -6.602 96 HA GLU 17 HA GLU 17 10.689 -5.896 -6.292 97 HB2 GLU 17 1HB GLU 17 9.850 -3.512 -5.821 98 HB3 GLU 17 2HB GLU 17 9.352 -4.131 -4.253 99 HG2 GLU 17 1HG GLU 17 11.603 -2.987 -4.372 100 HG3 GLU 17 2HG GLU 17 11.553 -4.569 -3.596 101 H CYS 18 H CYS 18 8.210 -5.644 -3.739 102 HA CYS 18 HA CYS 18 9.444 -7.897 -2.360 103 HB2 CYS 18 1HB CYS 18 7.972 -7.290 -0.489 104 HB3 CYS 18 2HB CYS 18 8.903 -5.902 -1.045 105 H GLY 19 H GLY 19 6.317 -6.954 -3.740 106 HA2 GLY 19 1HA GLY 19 5.132 -8.716 -4.988 107 HA3 GLY 19 2HA GLY 19 5.553 -9.808 -3.678 108 H LYS 20 H LYS 20 4.676 -6.635 -2.746 109 HA LYS 20 HA LYS 20 2.512 -7.497 -1.174 110 HB2 LYS 20 1HB LYS 20 3.680 -4.885 -1.951 111 HB3 LYS 20 2HB LYS 20 2.018 -4.857 -1.378 112 HG2 LYS 20 1HG LYS 20 3.044 -6.335 0.560 113 HG3 LYS 20 2HG LYS 20 4.520 -5.495 0.079 114 HD2 LYS 20 1HD LYS 20 3.510 -3.359 0.476 115 HD3 LYS 20 2HD LYS 20 1.929 -4.099 0.736 116 HE2 LYS 20 1HE LYS 20 2.729 -3.637 2.889 117 HE3 LYS 20 2HE LYS 20 3.029 -5.360 2.663 118 HZ1 LYS 20 3HZ LYS 20 4.914 -4.122 3.654 119 HZ2 LYS 20 1HZ LYS 20 5.069 -3.253 2.211 120 HZ3 LYS 20 2HZ LYS 20 5.316 -4.926 2.221 121 H ALA 21 H ALA 21 0.368 -5.983 -1.455 122 HA ALA 21 HA ALA 21 -0.554 -5.995 -4.209 123 HB1 ALA 21 3HB ALA 21 -1.871 -7.716 -2.112 124 HB2 ALA 21 1HB ALA 21 -2.501 -7.408 -3.731 125 HB3 ALA 21 2HB ALA 21 -0.984 -8.286 -3.526 126 H PHE 22 H PHE 22 -2.673 -4.985 -4.455 127 HA PHE 22 HA PHE 22 -3.849 -3.629 -2.211 128 HB2 PHE 22 1HB PHE 22 -2.555 -1.938 -4.358 129 HB3 PHE 22 2HB PHE 22 -3.426 -1.361 -2.941 130 HD1 PHE 22 1HD PHE 22 -0.380 -3.148 -4.038 131 HD2 PHE 22 2HD PHE 22 -2.333 -1.053 -0.889 132 HE1 PHE 22 1HE PHE 22 1.729 -3.091 -2.773 133 HE2 PHE 22 2HE PHE 22 -0.227 -0.991 0.381 134 HZ PHE 22 HZ PHE 22 1.808 -2.010 -0.561 135 H ALA 23 H ALA 23 -5.909 -2.897 -2.634 136 HA ALA 23 HA ALA 23 -7.239 -4.026 -4.867 137 HB1 ALA 23 3HB ALA 23 -8.986 -3.747 -3.530 138 HB2 ALA 23 1HB ALA 23 -7.972 -2.842 -2.404 139 HB3 ALA 23 2HB ALA 23 -8.844 -1.996 -3.683 140 H GLN 24 H GLN 24 -6.084 -0.784 -4.124 141 HA GLN 24 HA GLN 24 -6.847 0.038 -6.849 142 HB2 GLN 24 1HB GLN 24 -6.872 1.563 -4.263 143 HB3 GLN 24 2HB GLN 24 -6.726 2.409 -5.797 144 HG2 GLN 24 1HG GLN 24 -8.976 2.478 -5.560 145 HG3 GLN 24 2HG GLN 24 -8.833 0.934 -6.399 146 HE21 GLN 24 1HE2 GLN 24 -11.027 0.820 -5.314 147 HE22 GLN 24 2HE2 GLN 24 -11.073 0.094 -3.748 148 H LYS 25 H LYS 25 -5.349 1.125 -8.082 149 HA LYS 25 HA LYS 25 -2.649 0.551 -7.704 150 HB2 LYS 25 1HB LYS 25 -4.188 2.350 -9.509 151 HB3 LYS 25 2HB LYS 25 -2.451 2.605 -9.397 152 HG2 LYS 25 1HG LYS 25 -3.738 -0.032 -10.071 153 HG3 LYS 25 2HG LYS 25 -3.142 1.126 -11.263 154 HD2 LYS 25 1HD LYS 25 -1.507 -0.256 -9.134 155 HD3 LYS 25 2HD LYS 25 -1.488 -0.611 -10.863 156 HE2 LYS 25 1HE LYS 25 -0.577 1.912 -9.492 157 HE3 LYS 25 2HE LYS 25 0.417 0.745 -10.363 158 HZ1 LYS 25 3HZ LYS 25 -0.628 1.367 -12.409 159 HZ2 LYS 25 1HZ LYS 25 -0.077 2.774 -11.648 160 HZ3 LYS 25 2HZ LYS 25 -1.722 2.382 -11.613 161 H ALA 26 H ALA 26 -4.347 3.650 -7.248 162 HA ALA 26 HA ALA 26 -2.356 5.315 -6.499 163 HB1 ALA 26 3HB ALA 26 -3.931 6.638 -5.461 164 HB2 ALA 26 1HB ALA 26 -4.943 5.633 -6.499 165 HB3 ALA 26 2HB ALA 26 -4.797 5.261 -4.781 166 H ASN 27 H ASN 27 -3.646 2.658 -4.611 167 HA ASN 27 HA ASN 27 -2.238 3.369 -2.210 168 HB2 ASN 27 1HB ASN 27 -4.405 1.978 -2.421 169 HB3 ASN 27 2HB ASN 27 -3.337 0.633 -2.813 170 HD21 ASN 27 1HD2 ASN 27 -5.122 1.415 -0.464 171 HD22 ASN 27 2HD2 ASN 27 -4.118 1.142 0.915 172 H LEU 28 H LEU 28 -1.683 1.262 -4.958 173 HA LEU 28 HA LEU 28 0.616 -0.019 -3.806 174 HB2 LEU 28 1HB LEU 28 -0.433 -1.362 -5.360 175 HB3 LEU 28 2HB LEU 28 -0.721 -0.026 -6.472 176 HG LEU 28 HG LEU 28 1.741 -0.032 -6.965 177 HD11 LEU 28 1HD1 LEU 28 2.267 -1.302 -4.819 178 HD12 LEU 28 2HD1 LEU 28 3.120 -1.797 -6.281 179 HD13 LEU 28 3HD1 LEU 28 1.758 -2.749 -5.691 180 HD21 LEU 28 3HD2 LEU 28 0.009 -2.408 -7.584 181 HD22 LEU 28 1HD2 LEU 28 1.605 -2.189 -8.302 182 HD23 LEU 28 2HD2 LEU 28 0.338 -0.995 -8.588 183 H THR 29 H THR 29 0.157 2.302 -6.473 184 HA THR 29 HA THR 29 2.741 2.797 -7.183 185 HB THR 29 HB THR 29 0.463 4.763 -6.943 186 HG1 THR 29 1HG THR 29 1.566 3.848 -9.358 187 HG21 THR 29 3HG2 THR 29 1.779 6.218 -8.451 188 HG22 THR 29 1HG2 THR 29 3.158 5.137 -8.255 189 HG23 THR 29 2HG2 THR 29 2.531 6.028 -6.867 190 H GLN 30 H GLN 30 1.015 4.152 -4.409 191 HA GLN 30 HA GLN 30 3.135 5.870 -3.596 192 HB2 GLN 30 1HB GLN 30 1.835 6.327 -1.673 193 HB3 GLN 30 2HB GLN 30 0.682 6.086 -2.979 194 HG2 GLN 30 1HG GLN 30 -0.037 4.056 -2.150 195 HG3 GLN 30 2HG GLN 30 1.434 3.802 -1.213 196 HE21 GLN 30 1HE2 GLN 30 -1.757 4.876 -1.161 197 HE22 GLN 30 2HE2 GLN 30 -1.771 5.547 0.430 198 H HIS 31 H HIS 31 2.345 2.531 -3.028 199 HA HIS 31 HA HIS 31 3.989 2.152 -0.740 200 HB2 HIS 31 1HB HIS 31 2.497 0.425 -0.890 201 HB3 HIS 31 2HB HIS 31 2.535 0.403 -2.650 202 HD1 HIS 31 1HD HIS 31 4.244 -1.006 0.356 203 HD2 HIS 31 2HD HIS 31 4.492 -1.253 -3.783 204 HE1 HIS 31 1HE HIS 31 5.752 -2.963 -0.111 205 H GLN 32 H GLN 32 4.491 1.709 -4.214 206 HA GLN 32 HA GLN 32 6.966 0.472 -4.185 207 HB2 GLN 32 1HB GLN 32 6.117 2.598 -6.155 208 HB3 GLN 32 2HB GLN 32 7.280 1.307 -6.424 209 HG2 GLN 32 1HG GLN 32 5.199 -0.206 -5.828 210 HG3 GLN 32 2HG GLN 32 4.317 1.218 -6.380 211 HE21 GLN 32 1HE2 GLN 32 3.651 -0.534 -7.955 212 HE22 GLN 32 2HE2 GLN 32 4.584 -0.661 -9.403 213 H ARG 33 H ARG 33 6.136 3.781 -3.508 214 HA ARG 33 HA ARG 33 8.489 5.131 -3.905 215 HB2 ARG 33 1HB ARG 33 6.648 5.429 -1.524 216 HB3 ARG 33 2HB ARG 33 7.804 6.628 -2.090 217 HG2 ARG 33 1HG ARG 33 5.764 5.659 -4.013 218 HG3 ARG 33 2HG ARG 33 5.241 6.739 -2.719 219 HD2 ARG 33 1HD ARG 33 5.807 8.297 -4.278 220 HD3 ARG 33 2HD ARG 33 7.378 8.097 -3.502 221 HE ARG 33 HE ARG 33 8.172 7.103 -5.418 222 HH11 ARG 33 2HH1 ARG 33 4.706 7.390 -5.591 223 HH12 ARG 33 1HH1 ARG 33 4.623 6.948 -7.264 224 HH21 ARG 33 2HH2 ARG 33 8.074 6.519 -7.621 225 HH22 ARG 33 1HH2 ARG 33 6.539 6.452 -8.417 226 H ILE 34 H ILE 34 7.753 2.758 -1.467 227 HA ILE 34 HA ILE 34 9.923 3.337 0.274 228 HB ILE 34 HB ILE 34 9.346 1.438 1.468 229 HG12 ILE 34 1HG1 ILE 34 8.205 0.269 -1.080 230 HG13 ILE 34 2HG1 ILE 34 9.731 -0.184 -0.330 231 HG21 ILE 34 1HG2 ILE 34 7.294 2.135 1.941 232 HG22 ILE 34 2HG2 ILE 34 7.252 3.007 0.410 233 HG23 ILE 34 3HG2 ILE 34 6.668 1.345 0.495 234 HD11 ILE 34 3HD1 ILE 34 8.409 -0.888 1.682 235 HD12 ILE 34 1HD1 ILE 34 6.956 -0.656 0.711 236 HD13 ILE 34 2HD1 ILE 34 8.159 -1.853 0.228 237 H HIS 35 H HIS 35 9.559 1.378 -2.600 238 HA HIS 35 HA HIS 35 12.156 0.129 -2.270 239 HB2 HIS 35 1HB HIS 35 10.219 0.012 -4.592 240 HB3 HIS 35 2HB HIS 35 11.651 -0.994 -4.393 241 HD1 HIS 35 1HD HIS 35 11.483 -2.200 -1.753 242 HD2 HIS 35 2HD HIS 35 8.047 -1.446 -3.964 243 HE1 HIS 35 1HE HIS 35 9.728 -3.737 -0.814 244 H THR 36 H THR 36 10.621 2.419 -4.515 245 HA THR 36 HA THR 36 13.008 2.923 -5.986 246 HB THR 36 HB THR 36 11.778 4.802 -6.989 247 HG1 THR 36 1HG THR 36 10.041 4.274 -4.836 248 HG21 THR 36 3HG2 THR 36 10.216 3.519 -8.168 249 HG22 THR 36 1HG2 THR 36 9.848 2.511 -6.768 250 HG23 THR 36 2HG2 THR 36 11.391 2.330 -7.604 251 H GLY 37 H GLY 37 14.731 3.899 -5.144 252 HA2 GLY 37 1HA GLY 37 15.641 6.085 -4.524 253 HA3 GLY 37 2HA GLY 37 14.275 6.265 -3.434 254 H GLU 38 H GLU 38 14.371 5.416 -1.400 255 HA GLU 38 HA GLU 38 16.927 4.151 -0.662 256 HB2 GLU 38 1HB GLU 38 15.171 6.121 0.754 257 HB3 GLU 38 2HB GLU 38 16.186 5.036 1.694 258 HG2 GLU 38 1HG GLU 38 18.093 5.881 0.172 259 HG3 GLU 38 2HG GLU 38 16.989 7.204 -0.197 260 H LYS 39 H LYS 39 16.674 2.036 -0.398 261 HA LYS 39 HA LYS 39 14.135 0.988 0.605 262 HB2 LYS 39 1HB LYS 39 15.270 0.043 -1.455 263 HB3 LYS 39 2HB LYS 39 16.512 -0.590 -0.382 264 HG2 LYS 39 1HG LYS 39 14.810 -1.898 0.801 265 HG3 LYS 39 2HG LYS 39 13.581 -1.279 -0.305 266 HD2 LYS 39 1HD LYS 39 14.321 -2.550 -2.056 267 HD3 LYS 39 2HD LYS 39 15.989 -2.569 -1.478 268 HE2 LYS 39 1HE LYS 39 15.139 -4.774 -1.230 269 HE3 LYS 39 2HE LYS 39 15.222 -4.068 0.384 270 HZ1 LYS 39 3HZ LYS 39 12.717 -3.442 -0.515 271 HZ2 LYS 39 1HZ LYS 39 13.107 -4.664 0.589 272 HZ3 LYS 39 2HZ LYS 39 12.953 -5.028 -1.055 273 HA PRO 40 HA PRO 40 15.733 0.381 4.670 274 HB2 PRO 40 1HB PRO 40 13.951 -1.481 5.523 275 HB3 PRO 40 2HB PRO 40 13.540 0.228 5.339 276 HG2 PRO 40 1HG PRO 40 12.997 -2.060 3.487 277 HG3 PRO 40 2HG PRO 40 11.929 -0.726 3.960 278 HD2 PRO 40 1HD PRO 40 13.263 -0.758 1.604 279 HD3 PRO 40 2HD PRO 40 12.900 0.745 2.476 280 H SER 41 H SER 41 16.231 -1.560 6.166 281 HA SER 41 HA SER 41 17.858 -3.419 4.618 282 HB2 SER 41 1HB SER 41 17.753 -2.783 7.573 283 HB3 SER 41 2HB SER 41 18.801 -4.019 6.877 284 HG SER 41 HG SER 41 20.017 -2.506 5.962 285 H GLY 42 H GLY 42 16.502 -4.985 3.844 286 HA2 GLY 42 1HA GLY 42 15.098 -6.805 3.860 287 HA3 GLY 42 2HA GLY 42 15.898 -7.193 5.376 288 HA PRO 43 HA PRO 43 11.771 -4.759 6.271 289 HB2 PRO 43 1HB PRO 43 9.889 -5.074 4.339 290 HB3 PRO 43 2HB PRO 43 11.027 -3.721 4.361 291 HG2 PRO 43 1HG PRO 43 11.134 -6.261 2.781 292 HG3 PRO 43 2HG PRO 43 11.486 -4.603 2.259 293 HD2 PRO 43 1HD PRO 43 13.433 -6.376 2.891 294 HD3 PRO 43 2HD PRO 43 13.602 -4.631 3.172 295 H SER 44 H SER 44 12.019 -7.827 4.628 296 HA SER 44 HA SER 44 10.122 -8.968 6.566 297 HB2 SER 44 1HB SER 44 9.001 -8.859 4.397 298 HB3 SER 44 2HB SER 44 10.353 -9.697 3.636 299 HG SER 44 HG SER 44 8.256 -10.705 5.061 300 H SER 45 H SER 45 11.194 -10.292 7.861 301 HA SER 45 HA SER 45 13.583 -11.663 6.859 302 HB2 SER 45 1HB SER 45 13.509 -10.246 9.040 303 HB3 SER 45 2HB SER 45 12.710 -11.655 9.736 304 HG SER 45 HG SER 45 15.332 -11.379 8.782 305 H GLY 46 H GLY 46 11.188 -12.677 5.914 306 HA2 GLY 46 1HA GLY 46 10.505 -14.884 5.528 307 HA3 GLY 46 2HA GLY 46 11.310 -15.370 7.013 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -29.949 3.473 -0.325 2 HA2 GLY 1 1HA GLY 1 -30.919 1.594 1.359 3 HA3 GLY 1 2HA GLY 1 -31.242 0.888 -0.218 4 H SER 2 H SER 2 -28.636 2.266 1.758 5 HA SER 2 HA SER 2 -26.667 0.773 0.196 6 HB2 SER 2 1HB SER 2 -26.205 2.725 2.463 7 HB3 SER 2 2HB SER 2 -24.988 2.085 1.359 8 HG SER 2 HG SER 2 -26.701 3.091 -0.238 9 H SER 3 H SER 3 -25.572 -0.957 0.943 10 HA SER 3 HA SER 3 -25.822 -1.689 3.769 11 HB2 SER 3 1HB SER 3 -26.299 -4.057 3.094 12 HB3 SER 3 2HB SER 3 -27.603 -2.932 2.717 13 HG SER 3 HG SER 3 -26.502 -4.562 1.059 14 H GLY 4 H GLY 4 -24.164 -3.029 4.558 15 HA2 GLY 4 1HA GLY 4 -21.697 -2.820 3.032 16 HA3 GLY 4 2HA GLY 4 -21.846 -3.311 4.712 17 H SER 5 H SER 5 -23.313 -4.575 1.726 18 HA SER 5 HA SER 5 -22.761 -7.278 2.568 19 HB2 SER 5 1HB SER 5 -24.867 -6.811 1.445 20 HB3 SER 5 2HB SER 5 -24.011 -6.186 0.035 21 HG SER 5 HG SER 5 -24.747 -8.403 -0.146 22 H SER 6 H SER 6 -21.940 -5.388 -0.346 23 HA SER 6 HA SER 6 -19.949 -7.270 -1.173 24 HB2 SER 6 1HB SER 6 -21.117 -5.985 -2.859 25 HB3 SER 6 2HB SER 6 -20.587 -4.470 -2.129 26 HG SER 6 HG SER 6 -19.290 -5.022 -3.915 27 H GLY 7 H GLY 7 -17.711 -7.052 -1.156 28 HA2 GLY 7 1HA GLY 7 -16.655 -4.907 0.580 29 HA3 GLY 7 2HA GLY 7 -16.145 -6.579 0.767 30 H THR 8 H THR 8 -14.000 -5.521 0.483 31 HA THR 8 HA THR 8 -13.251 -4.452 -2.041 32 HB THR 8 HB THR 8 -10.892 -4.889 -1.226 33 HG1 THR 8 1HG THR 8 -11.606 -6.659 0.202 34 HG21 THR 8 3HG2 THR 8 -12.549 -2.868 -0.674 35 HG22 THR 8 1HG2 THR 8 -10.914 -2.957 -0.019 36 HG23 THR 8 2HG2 THR 8 -12.287 -3.459 0.967 37 H GLY 9 H GLY 9 -13.362 -7.679 -0.704 38 HA2 GLY 9 1HA GLY 9 -13.251 -9.713 -1.790 39 HA3 GLY 9 2HA GLY 9 -13.074 -8.842 -3.306 40 H GLU 10 H GLU 10 -11.089 -8.635 -4.211 41 HA GLU 10 HA GLU 10 -8.761 -9.471 -2.629 42 HB2 GLU 10 1HB GLU 10 -9.759 -10.646 -5.187 43 HB3 GLU 10 2HB GLU 10 -8.023 -10.556 -4.922 44 HG2 GLU 10 1HG GLU 10 -8.480 -11.718 -2.698 45 HG3 GLU 10 2HG GLU 10 -10.077 -12.073 -3.356 46 H LYS 11 H LYS 11 -6.686 -9.048 -3.973 47 HA LYS 11 HA LYS 11 -6.967 -6.410 -5.258 48 HB2 LYS 11 1HB LYS 11 -4.571 -7.456 -3.742 49 HB3 LYS 11 2HB LYS 11 -4.773 -5.838 -4.400 50 HG2 LYS 11 1HG LYS 11 -6.259 -5.209 -2.758 51 HG3 LYS 11 2HG LYS 11 -6.736 -6.871 -2.405 52 HD2 LYS 11 1HD LYS 11 -4.874 -7.267 -1.100 53 HD3 LYS 11 2HD LYS 11 -3.920 -6.013 -1.897 54 HE2 LYS 11 1HE LYS 11 -4.373 -5.066 0.167 55 HE3 LYS 11 2HE LYS 11 -5.640 -4.385 -0.851 56 HZ1 LYS 11 3HZ LYS 11 -6.065 -5.613 1.498 57 HZ2 LYS 11 1HZ LYS 11 -6.336 -6.884 0.415 58 HZ3 LYS 11 2HZ LYS 11 -7.228 -5.454 0.280 59 HA PRO 12 HA PRO 12 -5.422 -8.753 -8.765 60 HB2 PRO 12 1HB PRO 12 -5.796 -6.753 -10.561 61 HB3 PRO 12 2HB PRO 12 -7.110 -7.787 -9.989 62 HG2 PRO 12 1HG PRO 12 -6.349 -5.030 -9.107 63 HG3 PRO 12 2HG PRO 12 -7.961 -5.700 -9.420 64 HD2 PRO 12 1HD PRO 12 -6.956 -5.430 -6.920 65 HD3 PRO 12 2HD PRO 12 -8.064 -6.743 -7.367 66 H TYR 13 H TYR 13 -4.478 -5.470 -7.856 67 HA TYR 13 HA TYR 13 -2.049 -5.556 -9.405 68 HB2 TYR 13 1HB TYR 13 -2.749 -3.567 -7.246 69 HB3 TYR 13 2HB TYR 13 -1.634 -3.352 -8.591 70 HD1 TYR 13 2HD TYR 13 -5.158 -3.423 -7.586 71 HD2 TYR 13 1HD TYR 13 -2.450 -2.847 -10.817 72 HE1 TYR 13 2HE TYR 13 -6.973 -2.443 -8.925 73 HE2 TYR 13 1HE TYR 13 -4.258 -1.865 -12.165 74 HH TYR 13 HH TYR 13 -7.571 -1.967 -11.148 75 H ARG 14 H ARG 14 -0.143 -6.321 -8.775 76 HA ARG 14 HA ARG 14 0.376 -6.647 -5.899 77 HB2 ARG 14 1HB ARG 14 -0.264 -8.781 -7.340 78 HB3 ARG 14 2HB ARG 14 1.431 -8.689 -7.799 79 HG2 ARG 14 1HG ARG 14 2.138 -8.937 -5.539 80 HG3 ARG 14 2HG ARG 14 0.485 -8.762 -4.946 81 HD2 ARG 14 1HD ARG 14 -0.121 -10.836 -6.156 82 HD3 ARG 14 2HD ARG 14 1.570 -11.023 -6.620 83 HE ARG 14 HE ARG 14 0.408 -11.518 -4.018 84 HH11 ARG 14 2HH1 ARG 14 3.315 -10.977 -5.856 85 HH12 ARG 14 1HH1 ARG 14 4.351 -11.721 -4.683 86 HH21 ARG 14 2HH2 ARG 14 1.762 -12.500 -2.466 87 HH22 ARG 14 1HH2 ARG 14 3.466 -12.587 -2.756 88 H CYS 15 H CYS 15 2.176 -5.647 -5.310 89 HA CYS 15 HA CYS 15 3.859 -4.228 -6.953 90 HB2 CYS 15 1HB CYS 15 3.933 -3.766 -4.631 91 HB3 CYS 15 2HB CYS 15 4.322 -5.436 -4.232 92 H GLY 16 H GLY 16 6.042 -4.551 -7.651 93 HA2 GLY 16 1HA GLY 16 6.539 -7.347 -8.404 94 HA3 GLY 16 2HA GLY 16 7.204 -5.934 -9.210 95 H GLU 17 H GLU 17 7.975 -4.653 -6.687 96 HA GLU 17 HA GLU 17 10.596 -5.656 -6.488 97 HB2 GLU 17 1HB GLU 17 9.521 -3.319 -5.844 98 HB3 GLU 17 2HB GLU 17 9.431 -4.061 -4.253 99 HG2 GLU 17 1HG GLU 17 11.459 -2.714 -4.570 100 HG3 GLU 17 2HG GLU 17 11.808 -4.406 -4.220 101 H CYS 18 H CYS 18 8.150 -5.562 -3.892 102 HA CYS 18 HA CYS 18 9.480 -7.824 -2.610 103 HB2 CYS 18 1HB CYS 18 8.046 -7.303 -0.678 104 HB3 CYS 18 2HB CYS 18 8.955 -5.892 -1.208 105 H GLY 19 H GLY 19 6.308 -6.892 -3.883 106 HA2 GLY 19 1HA GLY 19 5.135 -8.660 -5.151 107 HA3 GLY 19 2HA GLY 19 5.571 -9.754 -3.847 108 H LYS 20 H LYS 20 4.718 -6.629 -2.812 109 HA LYS 20 HA LYS 20 2.552 -7.507 -1.269 110 HB2 LYS 20 1HB LYS 20 3.715 -4.880 -2.006 111 HB3 LYS 20 2HB LYS 20 2.058 -4.866 -1.418 112 HG2 LYS 20 1HG LYS 20 3.113 -6.386 0.479 113 HG3 LYS 20 2HG LYS 20 4.574 -5.516 0.004 114 HD2 LYS 20 1HD LYS 20 3.724 -3.467 0.656 115 HD3 LYS 20 2HD LYS 20 2.048 -4.002 0.511 116 HE2 LYS 20 1HE LYS 20 2.265 -3.980 2.787 117 HE3 LYS 20 2HE LYS 20 2.758 -5.639 2.449 118 HZ1 LYS 20 3HZ LYS 20 4.195 -4.038 3.948 119 HZ2 LYS 20 1HZ LYS 20 4.838 -3.586 2.449 120 HZ3 LYS 20 2HZ LYS 20 4.912 -5.200 2.949 121 H ALA 21 H ALA 21 0.382 -6.087 -1.483 122 HA ALA 21 HA ALA 21 -0.550 -6.041 -4.246 123 HB1 ALA 21 3HB ALA 21 -1.081 -8.283 -3.709 124 HB2 ALA 21 1HB ALA 21 -1.702 -7.832 -2.121 125 HB3 ALA 21 2HB ALA 21 -2.587 -7.375 -3.577 126 H PHE 22 H PHE 22 -2.659 -5.009 -4.478 127 HA PHE 22 HA PHE 22 -3.787 -3.618 -2.226 128 HB2 PHE 22 1HB PHE 22 -2.496 -1.985 -4.420 129 HB3 PHE 22 2HB PHE 22 -3.374 -1.361 -3.027 130 HD1 PHE 22 1HD PHE 22 -0.330 -3.194 -4.051 131 HD2 PHE 22 2HD PHE 22 -2.294 -1.001 -0.977 132 HE1 PHE 22 1HE PHE 22 1.771 -3.110 -2.773 133 HE2 PHE 22 2HE PHE 22 -0.196 -0.912 0.305 134 HZ PHE 22 HZ PHE 22 1.841 -1.967 -0.593 135 H ALA 23 H ALA 23 -5.857 -2.918 -2.608 136 HA ALA 23 HA ALA 23 -7.263 -4.073 -4.756 137 HB1 ALA 23 3HB ALA 23 -7.893 -2.481 -2.414 138 HB2 ALA 23 1HB ALA 23 -8.917 -2.080 -3.794 139 HB3 ALA 23 2HB ALA 23 -8.833 -3.743 -3.211 140 H GLN 24 H GLN 24 -6.003 -0.826 -4.227 141 HA GLN 24 HA GLN 24 -6.809 -0.137 -6.976 142 HB2 GLN 24 1HB GLN 24 -6.680 1.538 -4.487 143 HB3 GLN 24 2HB GLN 24 -6.571 2.281 -6.077 144 HG2 GLN 24 1HG GLN 24 -8.808 2.451 -5.701 145 HG3 GLN 24 2HG GLN 24 -8.748 0.896 -6.528 146 HE21 GLN 24 1HE2 GLN 24 -10.783 0.466 -5.506 147 HE22 GLN 24 2HE2 GLN 24 -10.829 -0.091 -3.872 148 H LYS 25 H LYS 25 -5.363 1.341 -8.114 149 HA LYS 25 HA LYS 25 -2.655 0.500 -7.920 150 HB2 LYS 25 1HB LYS 25 -4.186 2.400 -9.635 151 HB3 LYS 25 2HB LYS 25 -2.433 2.544 -9.604 152 HG2 LYS 25 1HG LYS 25 -3.936 0.021 -10.266 153 HG3 LYS 25 2HG LYS 25 -3.267 1.143 -11.452 154 HD2 LYS 25 1HD LYS 25 -1.790 -0.566 -9.464 155 HD3 LYS 25 2HD LYS 25 -1.681 -0.599 -11.226 156 HE2 LYS 25 1HE LYS 25 -0.945 1.919 -10.853 157 HE3 LYS 25 2HE LYS 25 -0.475 1.292 -9.274 158 HZ1 LYS 25 3HZ LYS 25 0.796 -0.453 -10.483 159 HZ2 LYS 25 1HZ LYS 25 1.386 1.116 -10.713 160 HZ3 LYS 25 2HZ LYS 25 0.476 0.368 -11.927 161 H ALA 26 H ALA 26 -4.211 3.663 -7.391 162 HA ALA 26 HA ALA 26 -2.104 5.213 -6.673 163 HB1 ALA 26 3HB ALA 26 -4.695 5.655 -6.649 164 HB2 ALA 26 1HB ALA 26 -4.508 5.351 -4.922 165 HB3 ALA 26 2HB ALA 26 -3.596 6.649 -5.693 166 H ASN 27 H ASN 27 -3.598 2.688 -4.739 167 HA ASN 27 HA ASN 27 -2.176 3.306 -2.340 168 HB2 ASN 27 1HB ASN 27 -4.367 2.013 -2.526 169 HB3 ASN 27 2HB ASN 27 -3.397 0.637 -3.040 170 HD21 ASN 27 1HD2 ASN 27 -4.781 0.110 -0.937 171 HD22 ASN 27 2HD2 ASN 27 -3.857 0.177 0.522 172 H LEU 28 H LEU 28 -1.606 1.250 -5.115 173 HA LEU 28 HA LEU 28 0.633 -0.112 -3.923 174 HB2 LEU 28 1HB LEU 28 -0.411 -1.431 -5.495 175 HB3 LEU 28 2HB LEU 28 -0.676 -0.085 -6.600 176 HG LEU 28 HG LEU 28 1.781 -0.117 -7.092 177 HD11 LEU 28 1HD1 LEU 28 2.249 -1.419 -4.922 178 HD12 LEU 28 2HD1 LEU 28 3.166 -1.837 -6.369 179 HD13 LEU 28 3HD1 LEU 28 1.812 -2.847 -5.861 180 HD21 LEU 28 3HD2 LEU 28 0.395 -1.076 -8.723 181 HD22 LEU 28 1HD2 LEU 28 0.018 -2.469 -7.709 182 HD23 LEU 28 2HD2 LEU 28 1.628 -2.298 -8.409 183 H THR 29 H THR 29 0.262 2.242 -6.574 184 HA THR 29 HA THR 29 2.886 2.670 -7.225 185 HB THR 29 HB THR 29 0.643 4.687 -7.079 186 HG1 THR 29 1HG THR 29 0.680 2.777 -8.598 187 HG21 THR 29 3HG2 THR 29 2.849 5.805 -6.989 188 HG22 THR 29 1HG2 THR 29 1.982 6.137 -8.487 189 HG23 THR 29 2HG2 THR 29 3.306 4.973 -8.475 190 H GLN 30 H GLN 30 1.071 4.187 -4.581 191 HA GLN 30 HA GLN 30 3.173 5.866 -3.709 192 HB2 GLN 30 1HB GLN 30 1.826 6.338 -1.821 193 HB3 GLN 30 2HB GLN 30 0.707 6.082 -3.153 194 HG2 GLN 30 1HG GLN 30 0.174 3.886 -2.367 195 HG3 GLN 30 2HG GLN 30 1.427 3.976 -1.131 196 HE21 GLN 30 1HE2 GLN 30 0.391 3.984 0.742 197 HE22 GLN 30 2HE2 GLN 30 -0.906 5.040 1.171 198 H HIS 31 H HIS 31 2.355 2.536 -3.085 199 HA HIS 31 HA HIS 31 3.964 2.196 -0.769 200 HB2 HIS 31 1HB HIS 31 2.475 0.467 -0.908 201 HB3 HIS 31 2HB HIS 31 2.532 0.417 -2.667 202 HD1 HIS 31 1HD HIS 31 4.190 -0.959 0.380 203 HD2 HIS 31 2HD HIS 31 4.512 -1.250 -3.752 204 HE1 HIS 31 1HE HIS 31 5.701 -2.925 -0.040 205 H GLN 32 H GLN 32 4.527 1.699 -4.225 206 HA GLN 32 HA GLN 32 7.002 0.456 -4.123 207 HB2 GLN 32 1HB GLN 32 6.227 2.537 -6.165 208 HB3 GLN 32 2HB GLN 32 7.338 1.191 -6.377 209 HG2 GLN 32 1HG GLN 32 5.338 -0.317 -5.926 210 HG3 GLN 32 2HG GLN 32 4.350 1.126 -6.152 211 HE21 GLN 32 1HE2 GLN 32 4.982 -1.496 -7.683 212 HE22 GLN 32 2HE2 GLN 32 5.171 -0.950 -9.311 213 H ARG 33 H ARG 33 6.153 3.666 -3.277 214 HA ARG 33 HA ARG 33 8.586 4.995 -3.731 215 HB2 ARG 33 1HB ARG 33 6.654 5.549 -1.477 216 HB3 ARG 33 2HB ARG 33 7.781 6.678 -2.216 217 HG2 ARG 33 1HG ARG 33 5.447 5.411 -3.634 218 HG3 ARG 33 2HG ARG 33 5.443 7.024 -2.918 219 HD2 ARG 33 1HD ARG 33 7.511 6.228 -4.937 220 HD3 ARG 33 2HD ARG 33 5.917 6.788 -5.442 221 HE ARG 33 HE ARG 33 7.269 8.530 -3.582 222 HH11 ARG 33 2HH1 ARG 33 6.737 7.724 -6.927 223 HH12 ARG 33 1HH1 ARG 33 7.165 9.299 -7.509 224 HH21 ARG 33 2HH2 ARG 33 7.836 10.607 -4.337 225 HH22 ARG 33 1HH2 ARG 33 7.791 10.937 -6.036 226 H ILE 34 H ILE 34 7.720 2.603 -1.448 227 HA ILE 34 HA ILE 34 9.583 3.288 0.600 228 HB ILE 34 HB ILE 34 9.047 1.242 1.627 229 HG12 ILE 34 1HG1 ILE 34 7.970 0.260 -1.025 230 HG13 ILE 34 2HG1 ILE 34 9.534 -0.184 -0.350 231 HG21 ILE 34 1HG2 ILE 34 6.857 2.646 0.250 232 HG22 ILE 34 2HG2 ILE 34 6.452 1.062 0.910 233 HG23 ILE 34 3HG2 ILE 34 7.096 2.318 1.966 234 HD11 ILE 34 3HD1 ILE 34 8.136 -1.973 0.158 235 HD12 ILE 34 1HD1 ILE 34 8.221 -1.048 1.657 236 HD13 ILE 34 2HD1 ILE 34 6.800 -0.919 0.620 237 H HIS 35 H HIS 35 9.693 1.262 -2.271 238 HA HIS 35 HA HIS 35 12.273 0.153 -1.648 239 HB2 HIS 35 1HB HIS 35 10.807 0.159 -4.293 240 HB3 HIS 35 2HB HIS 35 12.148 -0.888 -3.836 241 HD1 HIS 35 1HD HIS 35 11.462 -2.296 -1.449 242 HD2 HIS 35 2HD HIS 35 8.469 -1.157 -4.096 243 HE1 HIS 35 1HE HIS 35 9.508 -3.796 -0.941 244 H THR 36 H THR 36 11.061 2.490 -4.047 245 HA THR 36 HA THR 36 13.545 3.150 -5.159 246 HB THR 36 HB THR 36 12.468 5.192 -5.995 247 HG1 THR 36 1HG THR 36 10.705 4.610 -3.929 248 HG21 THR 36 3HG2 THR 36 11.977 2.788 -6.873 249 HG22 THR 36 1HG2 THR 36 10.996 4.137 -7.442 250 HG23 THR 36 2HG2 THR 36 10.374 3.062 -6.190 251 H GLY 37 H GLY 37 15.044 3.394 -3.460 252 HA2 GLY 37 1HA GLY 37 15.782 5.885 -2.697 253 HA3 GLY 37 2HA GLY 37 14.637 5.424 -1.446 254 H GLU 38 H GLU 38 15.184 2.782 -1.059 255 HA GLU 38 HA GLU 38 17.824 2.939 0.177 256 HB2 GLU 38 1HB GLU 38 17.111 0.947 1.445 257 HB3 GLU 38 2HB GLU 38 15.988 2.288 1.625 258 HG2 GLU 38 1HG GLU 38 14.488 1.262 0.001 259 HG3 GLU 38 2HG GLU 38 15.616 -0.078 -0.198 260 H LYS 39 H LYS 39 19.538 1.893 -0.588 261 HA LYS 39 HA LYS 39 19.103 -0.182 -2.635 262 HB2 LYS 39 1HB LYS 39 20.346 2.096 -3.123 263 HB3 LYS 39 2HB LYS 39 21.704 1.266 -2.376 264 HG2 LYS 39 1HG LYS 39 21.624 -0.473 -4.026 265 HG3 LYS 39 2HG LYS 39 20.143 0.195 -4.716 266 HD2 LYS 39 1HD LYS 39 22.708 1.760 -4.575 267 HD3 LYS 39 2HD LYS 39 22.311 0.713 -5.939 268 HE2 LYS 39 1HE LYS 39 20.365 2.786 -5.007 269 HE3 LYS 39 2HE LYS 39 21.718 3.240 -6.043 270 HZ1 LYS 39 3HZ LYS 39 19.468 2.567 -7.092 271 HZ2 LYS 39 1HZ LYS 39 19.993 0.984 -6.808 272 HZ3 LYS 39 2HZ LYS 39 20.906 2.014 -7.791 273 HA PRO 40 HA PRO 40 20.981 -3.066 0.123 274 HB2 PRO 40 1HB PRO 40 21.614 -4.985 -1.691 275 HB3 PRO 40 2HB PRO 40 19.960 -4.694 -1.137 276 HG2 PRO 40 1HG PRO 40 21.305 -3.777 -3.649 277 HG3 PRO 40 2HG PRO 40 19.672 -4.432 -3.429 278 HD2 PRO 40 1HD PRO 40 20.156 -1.779 -3.679 279 HD3 PRO 40 2HD PRO 40 18.828 -2.418 -2.690 280 H SER 41 H SER 41 22.806 -1.648 0.577 281 HA SER 41 HA SER 41 25.284 -2.783 -0.415 282 HB2 SER 41 1HB SER 41 24.997 -1.022 -2.029 283 HB3 SER 41 2HB SER 41 24.595 0.141 -0.766 284 HG SER 41 HG SER 41 26.767 0.344 -1.452 285 H GLY 42 H GLY 42 27.170 -2.047 0.838 286 HA2 GLY 42 1HA GLY 42 27.498 -0.462 2.917 287 HA3 GLY 42 2HA GLY 42 26.388 -1.625 3.625 288 HA PRO 43 HA PRO 43 30.667 -3.139 4.456 289 HB2 PRO 43 1HB PRO 43 30.138 -3.903 7.007 290 HB3 PRO 43 2HB PRO 43 30.609 -2.255 6.576 291 HG2 PRO 43 1HG PRO 43 27.881 -3.367 7.108 292 HG3 PRO 43 2HG PRO 43 28.588 -1.832 7.645 293 HD2 PRO 43 1HD PRO 43 26.885 -1.997 5.547 294 HD3 PRO 43 2HD PRO 43 28.192 -0.798 5.624 295 H SER 44 H SER 44 30.801 -5.003 3.333 296 HA SER 44 HA SER 44 29.015 -7.219 4.057 297 HB2 SER 44 1HB SER 44 29.577 -8.203 1.914 298 HB3 SER 44 2HB SER 44 29.103 -6.523 1.661 299 HG SER 44 HG SER 44 31.782 -6.835 2.116 300 H SER 45 H SER 45 29.989 -9.415 4.027 301 HA SER 45 HA SER 45 32.723 -9.362 5.130 302 HB2 SER 45 1HB SER 45 30.755 -9.895 6.718 303 HB3 SER 45 2HB SER 45 30.674 -11.440 5.872 304 HG SER 45 HG SER 45 32.894 -11.741 6.442 305 H GLY 46 H GLY 46 30.336 -11.462 3.520 306 HA2 GLY 46 1HA GLY 46 32.365 -13.307 2.640 307 HA3 GLY 46 2HA GLY 46 30.661 -13.344 2.210
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