NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473105 | 1ss6 | 6189 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -0.875 14.740 3.043 2 2H GLY 1 HT2 GLY 1 -1.450 16.205 3.671 3 3H GLY 1 HT3 GLY 1 -2.238 15.481 2.360 4 1HA GLY 1 HA1 GLY 1 -2.840 13.586 3.763 5 2HA GLY 1 HA2 GLY 1 -2.101 14.419 5.125 6 H SER 2 HN SER 2 -4.959 13.616 4.128 7 HA SER 2 HA SER 2 -6.300 16.148 3.977 8 1HB SER 2 HB2 SER 2 -7.428 13.358 4.264 9 2HB SER 2 HB1 SER 2 -8.347 14.807 3.850 10 HG SER 2 HG SER 2 -6.349 13.480 2.337 11 H GLU 3 HN GLU 3 -5.929 13.629 6.415 12 HA GLU 3 HA GLU 3 -6.130 13.638 8.665 13 1HB GLU 3 HB2 GLU 3 -4.879 15.694 8.712 14 2HB GLU 3 HB1 GLU 3 -6.301 16.629 8.282 15 1HG GLU 3 HG2 GLU 3 -5.632 16.794 10.668 16 2HG GLU 3 HG1 GLU 3 -7.290 16.252 10.411 17 H LYS 4 HN LYS 4 -8.334 16.335 7.920 18 HA LYS 4 HA LYS 4 -10.642 14.665 8.373 19 1HB LYS 4 HB2 LYS 4 -9.719 15.408 10.664 20 2HB LYS 4 HB1 LYS 4 -10.292 17.010 10.226 21 1HG LYS 4 HG2 LYS 4 -11.912 15.849 11.611 22 2HG LYS 4 HG1 LYS 4 -12.561 16.157 9.999 23 1HD LYS 4 HD2 LYS 4 -13.198 13.953 10.480 24 2HD LYS 4 HD1 LYS 4 -11.797 13.789 9.425 25 1HE LYS 4 HE2 LYS 4 -11.714 13.607 12.437 26 2HE LYS 4 HE1 LYS 4 -11.794 12.222 11.353 27 1HZ LYS 4 HZ1 LYS 4 -9.548 12.467 11.898 28 2HZ LYS 4 HZ2 LYS 4 -9.578 14.146 11.708 29 3HZ LYS 4 HZ3 LYS 4 -9.671 13.140 10.349 30 H ARG 5 HN ARG 5 -10.883 15.372 6.201 31 HA ARG 5 HA ARG 5 -12.290 17.950 6.022 32 1HB ARG 5 HB2 ARG 5 -10.449 16.944 3.842 33 2HB ARG 5 HB1 ARG 5 -11.283 18.487 3.903 34 1HG ARG 5 HG2 ARG 5 -9.853 19.233 5.696 35 2HG ARG 5 HG1 ARG 5 -9.073 17.650 5.769 36 1HD ARG 5 HD2 ARG 5 -9.030 19.550 3.421 37 2HD ARG 5 HD1 ARG 5 -7.698 19.252 4.538 38 HE ARG 5 HE ARG 5 -8.180 16.793 3.613 39 1HH1 ARG 5 HH11 ARG 5 -7.808 19.828 1.934 40 2HH1 ARG 5 HH12 ARG 5 -7.150 19.111 0.496 41 1HH2 ARG 5 HH21 ARG 5 -7.320 15.819 1.714 42 2HH2 ARG 5 HH22 ARG 5 -6.890 16.827 0.362 43 H GLN 6 HN GLN 6 -11.284 15.543 3.715 44 HA GLN 6 HA GLN 6 -13.585 13.947 3.696 45 1HB GLN 6 HB2 GLN 6 -14.474 14.554 1.476 46 2HB GLN 6 HB1 GLN 6 -14.671 15.865 2.629 47 1HG GLN 6 HG2 GLN 6 -12.819 17.058 1.662 48 2HG GLN 6 HG1 GLN 6 -12.458 15.699 0.598 49 1HE2 GLN 6 HE21 GLN 6 -12.682 17.017 -1.226 50 2HE2 GLN 6 HE22 GLN 6 -14.245 17.512 -1.797 51 H HIS 7 HN HIS 7 -13.381 12.288 2.007 52 HA HIS 7 HA HIS 7 -10.574 11.869 1.372 53 1HB HIS 7 HB2 HIS 7 -12.999 10.083 1.105 54 2HB HIS 7 HB1 HIS 7 -11.372 9.606 0.623 55 HD1 HIS 7 HD1 HIS 7 -9.935 8.620 2.391 56 HD2 HIS 7 HD2 HIS 7 -13.168 10.690 3.981 57 HE1 HIS 7 HE1 HIS 7 -9.831 8.239 4.877 58 HE2 HIS 7 HE2 HIS 7 -11.665 9.680 5.826 59 H SER 8 HN SER 8 -10.048 13.184 -0.247 60 HA SER 8 HA SER 8 -11.454 14.310 -2.216 61 1HB SER 8 HB2 SER 8 -8.644 13.239 -2.551 62 2HB SER 8 HB1 SER 8 -9.372 14.567 -3.456 63 HG SER 8 HG SER 8 -8.048 15.257 -1.662 64 H SER 9 HN SER 9 -12.883 13.478 -3.536 65 HA SER 9 HA SER 9 -12.634 10.826 -4.629 66 1HB SER 9 HB2 SER 9 -14.826 11.822 -3.922 67 2HB SER 9 HB1 SER 9 -14.695 12.955 -5.267 68 HG SER 9 HG SER 9 -14.882 11.290 -6.698 69 H GLN 10 HN GLN 10 -10.540 11.425 -5.708 70 HA GLN 10 HA GLN 10 -11.119 12.615 -8.334 71 1HB GLN 10 HB2 GLN 10 -8.540 12.642 -6.776 72 2HB GLN 10 HB1 GLN 10 -8.678 13.149 -8.457 73 1HG GLN 10 HG2 GLN 10 -10.304 14.859 -7.794 74 2HG GLN 10 HG1 GLN 10 -10.118 14.365 -6.116 75 1HE2 GLN 10 HE21 GLN 10 -7.227 13.904 -6.490 76 2HE2 GLN 10 HE22 GLN 10 -6.503 15.472 -6.534 77 H ASP 11 HN ASP 11 -11.337 9.834 -7.334 78 HA ASP 11 HA ASP 11 -11.024 7.707 -8.034 79 1HB ASP 11 HB2 ASP 11 -10.171 9.135 -10.561 80 2HB ASP 11 HB1 ASP 11 -10.601 7.434 -10.464 81 H VAL 12 HN VAL 12 -9.306 6.986 -6.723 82 HA VAL 12 HA VAL 12 -6.607 7.656 -7.713 83 HB VAL 12 HB VAL 12 -5.774 7.884 -5.476 84 1HG1 VAL 12 HG11 VAL 12 -6.979 9.876 -4.723 85 2HG1 VAL 12 HG12 VAL 12 -8.311 9.480 -5.810 86 3HG1 VAL 12 HG13 VAL 12 -6.726 9.886 -6.470 87 1HG2 VAL 12 HG21 VAL 12 -7.141 6.216 -4.370 88 2HG2 VAL 12 HG22 VAL 12 -8.564 7.243 -4.547 89 3HG2 VAL 12 HG23 VAL 12 -7.229 7.756 -3.513 90 H HIS 13 HN HIS 13 -4.888 6.251 -6.748 91 HA HIS 13 HA HIS 13 -5.762 3.456 -6.937 92 1HB HIS 13 HB2 HIS 13 -2.956 4.551 -7.262 93 2HB HIS 13 HB1 HIS 13 -3.506 2.925 -7.634 94 HD1 HIS 13 HD1 HIS 13 -2.469 5.756 -9.338 95 HD2 HIS 13 HD2 HIS 13 -5.788 3.286 -9.744 96 HE1 HIS 13 HE1 HIS 13 -3.332 6.145 -11.672 97 HE2 HIS 13 HE2 HIS 13 -5.318 4.606 -11.914 98 H VAL 14 HN VAL 14 -5.554 2.150 -5.232 99 HA VAL 14 HA VAL 14 -3.908 3.050 -2.981 100 HB VAL 14 HB VAL 14 -5.042 1.286 -1.643 101 1HG1 VAL 14 HG11 VAL 14 -7.164 2.485 -1.391 102 2HG1 VAL 14 HG12 VAL 14 -6.853 3.336 -2.904 103 3HG1 VAL 14 HG13 VAL 14 -5.788 3.582 -1.519 104 1HG2 VAL 14 HG21 VAL 14 -6.861 1.027 -4.041 105 2HG2 VAL 14 HG22 VAL 14 -7.118 0.289 -2.459 106 3HG2 VAL 14 HG23 VAL 14 -5.743 -0.203 -3.446 107 H VAL 15 HN VAL 15 -1.939 2.267 -2.964 108 HA VAL 15 HA VAL 15 -1.265 0.121 -4.742 109 HB VAL 15 HB VAL 15 0.213 2.067 -4.548 110 1HG1 VAL 15 HG11 VAL 15 0.592 1.110 -1.720 111 2HG1 VAL 15 HG12 VAL 15 -0.050 2.665 -2.259 112 3HG1 VAL 15 HG13 VAL 15 1.651 2.276 -2.520 113 1HG2 VAL 15 HG21 VAL 15 1.505 -0.494 -3.610 114 2HG2 VAL 15 HG22 VAL 15 2.341 0.872 -4.352 115 3HG2 VAL 15 HG23 VAL 15 1.161 -0.052 -5.284 116 H LEU 16 HN LEU 16 -1.027 -1.899 -4.321 117 HA LEU 16 HA LEU 16 -0.743 -2.762 -1.526 118 1HB LEU 16 HB2 LEU 16 -2.612 -3.628 -3.215 119 2HB LEU 16 HB1 LEU 16 -1.313 -4.674 -3.747 120 HG LEU 16 HG LEU 16 -2.594 -4.554 -1.034 121 1HD1 LEU 16 HD11 LEU 16 -2.300 -6.701 -3.113 122 2HD1 LEU 16 HD12 LEU 16 -3.791 -5.947 -2.541 123 3HD1 LEU 16 HD13 LEU 16 -2.854 -6.994 -1.468 124 1HD2 LEU 16 HD21 LEU 16 -0.210 -4.715 -0.682 125 2HD2 LEU 16 HD22 LEU 16 -0.110 -6.040 -1.841 126 3HD2 LEU 16 HD23 LEU 16 -0.985 -6.258 -0.323 127 H LYS 17 HN LYS 17 1.284 -3.206 -0.998 128 HA LYS 17 HA LYS 17 3.114 -4.018 -3.144 129 1HB LYS 17 HB2 LYS 17 3.804 -2.982 -0.387 130 2HB LYS 17 HB1 LYS 17 4.932 -3.325 -1.688 131 1HG LYS 17 HG2 LYS 17 4.024 -1.531 -3.012 132 2HG LYS 17 HG1 LYS 17 2.767 -1.239 -1.808 133 1HD LYS 17 HD2 LYS 17 4.431 -0.613 -0.174 134 2HD LYS 17 HD1 LYS 17 5.724 -1.004 -1.305 135 1HE LYS 17 HE2 LYS 17 3.632 1.122 -1.709 136 2HE LYS 17 HE1 LYS 17 5.273 1.420 -1.145 137 1HZ LYS 17 HZ1 LYS 17 5.019 1.847 -3.511 138 2HZ LYS 17 HZ2 LYS 17 4.540 0.256 -3.779 139 3HZ LYS 17 HZ3 LYS 17 6.112 0.588 -3.244 140 H LEU 18 HN LEU 18 4.212 -5.869 -3.053 141 HA LEU 18 HA LEU 18 3.324 -7.872 -1.096 142 1HB LEU 18 HB2 LEU 18 3.031 -8.926 -3.086 143 2HB LEU 18 HB1 LEU 18 4.081 -7.809 -3.935 144 HG LEU 18 HG LEU 18 6.033 -9.152 -2.992 145 1HD1 LEU 18 HD11 LEU 18 3.862 -11.178 -2.493 146 2HD1 LEU 18 HD12 LEU 18 4.832 -10.381 -1.254 147 3HD1 LEU 18 HD13 LEU 18 5.602 -11.469 -2.414 148 1HD2 LEU 18 HD21 LEU 18 4.131 -10.441 -4.937 149 2HD2 LEU 18 HD22 LEU 18 5.839 -10.839 -4.754 150 3HD2 LEU 18 HD23 LEU 18 5.361 -9.237 -5.316 151 H TRP 19 HN TRP 19 4.685 -8.563 0.423 152 HA TRP 19 HA TRP 19 7.525 -7.794 0.212 153 1HB TRP 19 HB2 TRP 19 6.000 -8.125 2.783 154 2HB TRP 19 HB1 TRP 19 7.565 -7.362 2.550 155 HD1 TRP 19 HD1 TRP 19 3.916 -6.645 2.663 156 HE1 TRP 19 HE1 TRP 19 3.524 -4.128 2.333 157 HE3 TRP 19 HE3 TRP 19 8.567 -5.297 1.030 158 HZ2 TRP 19 HZ2 TRP 19 4.965 -1.890 1.515 159 HZ3 TRP 19 HZ3 TRP 19 8.966 -2.942 0.456 160 HH2 TRP 19 HH2 TRP 19 7.200 -1.271 0.683 161 H LYS 20 HN LYS 20 8.677 -9.144 2.185 162 HA LYS 20 HA LYS 20 8.393 -11.876 1.357 163 1HB LYS 20 HB2 LYS 20 10.315 -12.293 2.916 164 2HB LYS 20 HB1 LYS 20 10.625 -11.136 1.636 165 1HG LYS 20 HG2 LYS 20 11.605 -10.128 3.450 166 2HG LYS 20 HG1 LYS 20 10.022 -9.359 3.416 167 1HD LYS 20 HD2 LYS 20 10.484 -9.902 5.682 168 2HD LYS 20 HD1 LYS 20 9.270 -11.054 5.121 169 1HE LYS 20 HE2 LYS 20 12.208 -11.696 5.065 170 2HE LYS 20 HE1 LYS 20 11.237 -11.943 6.514 171 1HZ LYS 20 HZ1 LYS 20 9.766 -13.379 5.191 172 2HZ LYS 20 HZ2 LYS 20 11.352 -13.972 5.269 173 3HZ LYS 20 HZ3 LYS 20 10.804 -13.211 3.859 174 H SER 21 HN SER 21 7.322 -9.957 3.984 175 HA SER 21 HA SER 21 6.540 -12.336 5.486 176 1HB SER 21 HB2 SER 21 6.438 -9.411 6.270 177 2HB SER 21 HB1 SER 21 5.987 -10.763 7.310 178 HG SER 21 HG SER 21 8.217 -11.535 6.879 179 H GLY 22 HN GLY 22 5.155 -9.419 3.989 180 1HA GLY 22 HA2 GLY 22 2.670 -10.802 3.578 181 2HA GLY 22 HA1 GLY 22 2.572 -9.557 4.807 182 H PHE 23 HN PHE 23 1.346 -8.092 3.885 183 HA PHE 23 HA PHE 23 2.295 -6.805 1.433 184 1HB PHE 23 HB2 PHE 23 0.012 -6.851 0.483 185 2HB PHE 23 HB1 PHE 23 0.652 -8.478 0.717 186 HD1 PHE 23 HD1 PHE 23 -0.182 -9.840 2.661 187 HD2 PHE 23 HD2 PHE 23 -1.930 -6.111 1.593 188 HE1 PHE 23 HE1 PHE 23 -2.164 -10.387 4.008 189 HE2 PHE 23 HE2 PHE 23 -3.913 -6.653 2.936 190 HZ PHE 23 HZ PHE 23 -4.033 -8.792 4.148 191 H SER 24 HN SER 24 1.640 -4.631 1.245 192 HA SER 24 HA SER 24 0.170 -3.534 3.563 193 1HB SER 24 HB2 SER 24 1.685 -1.620 3.601 194 2HB SER 24 HB1 SER 24 2.599 -3.114 3.823 195 HG SER 24 HG SER 24 2.250 -2.057 1.240 196 H LEU 25 HN LEU 25 -1.082 -1.765 3.178 197 HA LEU 25 HA LEU 25 -1.577 -1.151 0.340 198 1HB LEU 25 HB2 LEU 25 -3.538 -0.472 2.499 199 2HB LEU 25 HB1 LEU 25 -3.833 -0.896 0.825 200 HG LEU 25 HG LEU 25 -3.167 -2.783 3.083 201 1HD1 LEU 25 HD11 LEU 25 -5.630 -2.505 1.366 202 2HD1 LEU 25 HD12 LEU 25 -5.479 -2.021 3.055 203 3HD1 LEU 25 HD13 LEU 25 -5.375 -3.725 2.616 204 1HD2 LEU 25 HD21 LEU 25 -3.435 -4.579 1.421 205 2HD2 LEU 25 HD22 LEU 25 -2.024 -3.557 1.120 206 3HD2 LEU 25 HD23 LEU 25 -3.486 -3.360 0.146 207 H ASP 26 HN ASP 26 -2.193 1.133 -0.069 208 HA ASP 26 HA ASP 26 -0.209 2.864 0.927 209 1HB ASP 26 HB2 ASP 26 -1.335 3.027 -1.307 210 2HB ASP 26 HB1 ASP 26 -2.755 3.666 -0.489 211 H ASN 27 HN ASN 27 -3.131 1.953 2.258 212 HA ASN 27 HA ASN 27 -3.535 4.377 3.814 213 1HB ASN 27 HB2 ASN 27 -5.482 2.924 4.728 214 2HB ASN 27 HB1 ASN 27 -5.580 3.502 3.065 215 1HD2 ASN 27 HD21 ASN 27 -4.955 0.715 5.099 216 2HD2 ASN 27 HD22 ASN 27 -5.163 -0.475 3.863 217 H GLY 28 HN GLY 28 -2.081 1.253 4.153 218 1HA GLY 28 HA2 GLY 28 -1.858 1.700 7.053 219 2HA GLY 28 HA1 GLY 28 -2.449 0.157 6.460 220 H GLU 29 HN GLU 29 -0.673 -0.772 7.636 221 HA GLU 29 HA GLU 29 1.924 -0.388 6.322 222 1HB GLU 29 HB2 GLU 29 1.301 -1.431 9.088 223 2HB GLU 29 HB1 GLU 29 2.917 -1.276 8.403 224 1HG GLU 29 HG2 GLU 29 2.530 1.161 8.171 225 2HG GLU 29 HG1 GLU 29 0.981 0.952 8.986 226 H LEU 30 HN LEU 30 3.239 -2.623 7.106 227 HA LEU 30 HA LEU 30 2.251 -4.498 5.176 228 1HB LEU 30 HB2 LEU 30 4.623 -3.931 5.425 229 2HB LEU 30 HB1 LEU 30 4.640 -4.608 7.029 230 HG LEU 30 HG LEU 30 4.276 -6.159 4.455 231 1HD1 LEU 30 HD11 LEU 30 6.497 -7.048 4.980 232 2HD1 LEU 30 HD12 LEU 30 6.616 -5.905 6.316 233 3HD1 LEU 30 HD13 LEU 30 6.508 -5.317 4.654 234 1HD2 LEU 30 HD21 LEU 30 4.689 -7.159 7.247 235 2HD2 LEU 30 HD22 LEU 30 4.614 -8.134 5.779 236 3HD2 LEU 30 HD23 LEU 30 3.184 -7.259 6.332 237 H ARG 31 HN ARG 31 0.974 -6.119 5.526 238 HA ARG 31 HA ARG 31 0.766 -7.262 8.233 239 1HB ARG 31 HB2 ARG 31 -1.281 -7.033 6.023 240 2HB ARG 31 HB1 ARG 31 -1.511 -8.010 7.466 241 1HG ARG 31 HG2 ARG 31 -1.319 -6.003 8.851 242 2HG ARG 31 HG1 ARG 31 -1.103 -5.028 7.398 243 1HD ARG 31 HD2 ARG 31 -3.298 -5.641 6.609 244 2HD ARG 31 HD1 ARG 31 -3.514 -6.744 7.971 245 HE ARG 31 HE ARG 31 -3.581 -4.800 9.420 246 1HH1 ARG 31 HH11 ARG 31 -3.795 -4.134 6.004 247 2HH1 ARG 31 HH12 ARG 31 -4.776 -2.710 6.202 248 1HH2 ARG 31 HH21 ARG 31 -4.850 -2.912 9.699 249 2HH2 ARG 31 HH22 ARG 31 -5.361 -2.010 8.296 250 H SER 32 HN SER 32 1.440 -9.323 8.420 251 HA SER 32 HA SER 32 2.721 -10.533 6.189 252 1HB SER 32 HB2 SER 32 2.234 -11.750 8.911 253 2HB SER 32 HB1 SER 32 3.476 -12.205 7.733 254 HG SER 32 HG SER 32 3.416 -10.087 9.518 255 H TYR 33 HN TYR 33 2.367 -12.620 5.302 256 HA TYR 33 HA TYR 33 -0.384 -12.998 4.588 257 1HB TYR 33 HB2 TYR 33 2.075 -14.612 3.873 258 2HB TYR 33 HB1 TYR 33 0.492 -14.814 3.138 259 HD1 TYR 33 HD1 TYR 33 3.614 -13.521 2.574 260 HD2 TYR 33 HD2 TYR 33 -0.473 -12.384 2.275 261 HE1 TYR 33 HE1 TYR 33 4.217 -11.859 0.858 262 HE2 TYR 33 HE2 TYR 33 0.108 -10.721 0.563 263 HH TYR 33 HH TYR 33 2.120 -9.411 -0.113 264 H GLN 34 HN GLN 34 -0.257 -13.502 7.296 265 HA GLN 34 HA GLN 34 -0.804 -16.383 7.424 266 1HB GLN 34 HB2 GLN 34 0.877 -14.917 9.463 267 2HB GLN 34 HB1 GLN 34 0.434 -16.616 9.507 268 1HG GLN 34 HG2 GLN 34 1.794 -17.085 7.599 269 2HG GLN 34 HG1 GLN 34 2.110 -15.368 7.347 270 1HE2 GLN 34 HE21 GLN 34 2.386 -14.859 10.219 271 2HE2 GLN 34 HE22 GLN 34 3.929 -15.507 10.670 272 H ASP 35 HN ASP 35 -0.981 -13.241 8.993 273 HA ASP 35 HA ASP 35 -2.548 -13.910 11.191 274 1HB ASP 35 HB2 ASP 35 -1.248 -11.798 10.810 275 2HB ASP 35 HB1 ASP 35 -2.537 -11.262 9.748 276 HA PRO 36 HA PRO 36 -6.539 -14.675 9.434 277 1HB PRO 36 HB2 PRO 36 -7.595 -14.061 12.108 278 2HB PRO 36 HB1 PRO 36 -7.650 -15.573 11.199 279 1HG PRO 36 HG2 PRO 36 -6.079 -15.286 13.353 280 2HG PRO 36 HG1 PRO 36 -5.576 -16.256 11.956 281 1HD PRO 36 HD2 PRO 36 -4.780 -13.468 12.712 282 2HD PRO 36 HD1 PRO 36 -3.776 -14.802 12.100 283 H SER 37 HN SER 37 -5.685 -11.643 10.909 284 HA SER 37 HA SER 37 -8.252 -10.432 10.249 285 1HB SER 37 HB2 SER 37 -5.688 -9.171 11.245 286 2HB SER 37 HB1 SER 37 -7.254 -8.365 11.122 287 HG SER 37 HG SER 37 -8.062 -9.900 12.645 288 H ASN 38 HN ASN 38 -5.065 -10.788 8.963 289 HA ASN 38 HA ASN 38 -5.371 -8.821 6.883 290 1HB ASN 38 HB2 ASN 38 -3.436 -11.141 6.905 291 2HB ASN 38 HB1 ASN 38 -3.279 -9.618 6.037 292 1HD2 ASN 38 HD21 ASN 38 -1.363 -10.727 7.757 293 2HD2 ASN 38 HD22 ASN 38 -1.164 -9.654 9.106 294 H ALA 39 HN ALA 39 -6.350 -12.000 7.451 295 HA ALA 39 HA ALA 39 -6.418 -13.206 4.978 296 1HB ALA 39 HB1 ALA 39 -8.487 -13.432 7.153 297 2HB ALA 39 HB2 ALA 39 -6.976 -14.337 7.060 298 3HB ALA 39 HB3 ALA 39 -8.227 -14.579 5.840 299 H GLN 40 HN GLN 40 -8.765 -10.872 6.304 300 HA GLN 40 HA GLN 40 -10.728 -11.087 4.345 301 1HB GLN 40 HB2 GLN 40 -11.055 -8.562 4.800 302 2HB GLN 40 HB1 GLN 40 -11.375 -9.709 6.088 303 1HG GLN 40 HG2 GLN 40 -9.903 -8.719 7.386 304 2HG GLN 40 HG1 GLN 40 -8.650 -8.897 6.159 305 1HE2 GLN 40 HE21 GLN 40 -9.877 -7.216 4.164 306 2HE2 GLN 40 HE22 GLN 40 -9.729 -5.588 4.737 307 H PHE 41 HN PHE 41 -8.237 -8.587 4.447 308 HA PHE 41 HA PHE 41 -8.333 -7.571 1.928 309 1HB PHE 41 HB2 PHE 41 -5.752 -8.310 3.321 310 2HB PHE 41 HB1 PHE 41 -5.942 -7.108 2.053 311 HD1 PHE 41 HD1 PHE 41 -7.371 -5.057 2.560 312 HD2 PHE 41 HD2 PHE 41 -5.966 -7.753 5.537 313 HE1 PHE 41 HE1 PHE 41 -7.732 -3.345 4.284 314 HE2 PHE 41 HE2 PHE 41 -6.328 -6.045 7.265 315 HZ PHE 41 HZ PHE 41 -7.215 -3.839 6.638 316 H LEU 42 HN LEU 42 -6.268 -10.326 2.850 317 HA LEU 42 HA LEU 42 -5.306 -10.973 0.348 318 1HB LEU 42 HB2 LEU 42 -5.853 -12.623 2.786 319 2HB LEU 42 HB1 LEU 42 -5.252 -13.377 1.325 320 HG LEU 42 HG LEU 42 -3.858 -11.152 2.814 321 1HD1 LEU 42 HD11 LEU 42 -3.241 -14.103 2.718 322 2HD1 LEU 42 HD12 LEU 42 -3.907 -13.237 4.102 323 3HD1 LEU 42 HD13 LEU 42 -2.281 -12.863 3.528 324 1HD2 LEU 42 HD21 LEU 42 -2.920 -12.901 0.540 325 2HD2 LEU 42 HD22 LEU 42 -1.986 -11.642 1.350 326 3HD2 LEU 42 HD23 LEU 42 -3.405 -11.212 0.396 327 H GLU 43 HN GLU 43 -8.296 -12.067 1.872 328 HA GLU 43 HA GLU 43 -8.972 -13.919 -0.180 329 1HB GLU 43 HB2 GLU 43 -9.789 -13.571 2.357 330 2HB GLU 43 HB1 GLU 43 -11.097 -12.741 1.523 331 1HG GLU 43 HG2 GLU 43 -11.673 -15.056 1.931 332 2HG GLU 43 HG1 GLU 43 -11.553 -14.731 0.202 333 H SER 44 HN SER 44 -10.109 -10.664 0.636 334 HA SER 44 HA SER 44 -12.024 -10.503 -1.441 335 1HB SER 44 HB2 SER 44 -10.645 -8.203 -0.039 336 2HB SER 44 HB1 SER 44 -12.214 -8.176 -0.844 337 HG SER 44 HG SER 44 -11.522 -9.653 1.484 338 H ILE 45 HN ILE 45 -8.688 -9.356 -1.132 339 HA ILE 45 HA ILE 45 -8.654 -8.069 -3.685 340 HB ILE 45 HB ILE 45 -6.335 -8.945 -1.945 341 1HG1 ILE 45 HG12 ILE 45 -7.675 -6.240 -2.164 342 2HG1 ILE 45 HG11 ILE 45 -7.940 -7.382 -0.852 343 1HG2 ILE 45 HG21 ILE 45 -6.434 -6.943 -4.196 344 2HG2 ILE 45 HG22 ILE 45 -5.656 -8.526 -4.252 345 3HG2 ILE 45 HG23 ILE 45 -5.039 -7.275 -3.170 346 1HD1 ILE 45 HD11 ILE 45 -6.391 -5.641 -0.191 347 2HD1 ILE 45 HD12 ILE 45 -5.330 -6.052 -1.541 348 3HD1 ILE 45 HD13 ILE 45 -5.582 -7.210 -0.234 349 H ARG 46 HN ARG 46 -7.949 -11.258 -2.488 350 HA ARG 46 HA ARG 46 -6.725 -12.478 -4.668 351 1HB ARG 46 HB2 ARG 46 -7.415 -13.420 -2.366 352 2HB ARG 46 HB1 ARG 46 -8.986 -13.702 -3.091 353 1HG ARG 46 HG2 ARG 46 -7.892 -15.152 -4.773 354 2HG ARG 46 HG1 ARG 46 -6.369 -14.938 -3.899 355 1HD ARG 46 HD2 ARG 46 -7.929 -15.638 -1.849 356 2HD ARG 46 HD1 ARG 46 -8.804 -16.453 -3.142 357 HE ARG 46 HE ARG 46 -6.312 -17.284 -3.602 358 1HH1 ARG 46 HH11 ARG 46 -8.224 -17.141 -0.661 359 2HH1 ARG 46 HH12 ARG 46 -7.351 -18.436 0.104 360 1HH2 ARG 46 HH21 ARG 46 -5.176 -18.984 -2.600 361 2HH2 ARG 46 HH22 ARG 46 -5.618 -19.479 -0.988 362 H ARG 47 HN ARG 47 -10.179 -12.223 -3.932 363 HA ARG 47 HA ARG 47 -11.163 -13.098 -6.405 364 1HB ARG 47 HB2 ARG 47 -12.375 -11.250 -4.348 365 2HB ARG 47 HB1 ARG 47 -13.261 -11.947 -5.692 366 1HG ARG 47 HG2 ARG 47 -12.027 -13.374 -3.356 367 2HG ARG 47 HG1 ARG 47 -13.739 -13.246 -3.772 368 1HD ARG 47 HD2 ARG 47 -11.610 -14.691 -5.336 369 2HD ARG 47 HD1 ARG 47 -12.881 -15.436 -4.368 370 HE ARG 47 HE ARG 47 -14.064 -13.758 -6.302 371 1HH1 ARG 47 HH11 ARG 47 -12.267 -16.752 -6.088 372 2HH1 ARG 47 HH12 ARG 47 -13.006 -17.448 -7.500 373 1HH2 ARG 47 HH21 ARG 47 -15.026 -14.658 -8.173 374 2HH2 ARG 47 HH22 ARG 47 -14.583 -16.266 -8.676 375 H GLY 48 HN GLY 48 -10.881 -9.812 -5.130 376 1HA GLY 48 HA2 GLY 48 -10.060 -8.149 -6.901 377 2HA GLY 48 HA1 GLY 48 -11.427 -8.764 -7.829 378 H GLU 49 HN GLU 49 -12.404 -9.035 -4.798 379 HA GLU 49 HA GLU 49 -14.097 -6.753 -4.830 380 1HB GLU 49 HB2 GLU 49 -13.503 -8.692 -2.595 381 2HB GLU 49 HB1 GLU 49 -14.851 -7.559 -2.658 382 1HG GLU 49 HG2 GLU 49 -15.734 -8.714 -4.615 383 2HG GLU 49 HG1 GLU 49 -14.384 -9.847 -4.560 384 H VAL 50 HN VAL 50 -14.221 -5.305 -2.852 385 HA VAL 50 HA VAL 50 -11.512 -4.233 -2.548 386 HB VAL 50 HB VAL 50 -13.077 -2.863 -3.821 387 1HG1 VAL 50 HG11 VAL 50 -14.675 -2.676 -1.279 388 2HG1 VAL 50 HG12 VAL 50 -15.165 -3.485 -2.766 389 3HG1 VAL 50 HG13 VAL 50 -14.957 -1.736 -2.746 390 1HG2 VAL 50 HG21 VAL 50 -11.275 -1.769 -2.620 391 2HG2 VAL 50 HG22 VAL 50 -12.282 -1.657 -1.177 392 3HG2 VAL 50 HG23 VAL 50 -12.714 -0.747 -2.625 393 HA PRO 51 HA PRO 51 -11.861 -4.909 1.924 394 1HB PRO 51 HB2 PRO 51 -9.281 -3.466 1.707 395 2HB PRO 51 HB1 PRO 51 -9.660 -4.973 2.544 396 1HG PRO 51 HG2 PRO 51 -8.264 -4.951 0.287 397 2HG PRO 51 HG1 PRO 51 -9.422 -6.243 0.653 398 1HD PRO 51 HD2 PRO 51 -9.678 -3.922 -1.211 399 2HD PRO 51 HD1 PRO 51 -10.283 -5.583 -1.386 400 H ALA 52 HN ALA 52 -12.382 -3.504 3.511 401 HA ALA 52 HA ALA 52 -13.602 -1.119 2.758 402 1HB ALA 52 HB1 ALA 52 -12.830 -1.979 5.535 403 2HB ALA 52 HB2 ALA 52 -14.291 -2.466 4.678 404 3HB ALA 52 HB3 ALA 52 -14.042 -0.774 5.107 405 H GLU 53 HN GLU 53 -10.392 -1.691 4.068 406 HA GLU 53 HA GLU 53 -9.840 0.890 4.985 407 1HB GLU 53 HB2 GLU 53 -7.918 -1.120 3.811 408 2HB GLU 53 HB1 GLU 53 -7.452 0.324 4.694 409 1HG GLU 53 HG2 GLU 53 -8.993 -0.724 6.552 410 2HG GLU 53 HG1 GLU 53 -8.625 -2.216 5.679 411 H LEU 54 HN LEU 54 -9.951 -0.370 1.755 412 HA LEU 54 HA LEU 54 -8.382 1.765 0.608 413 1HB LEU 54 HB2 LEU 54 -10.199 0.006 -0.997 414 2HB LEU 54 HB1 LEU 54 -8.648 0.701 -1.432 415 HG LEU 54 HG LEU 54 -9.063 -1.564 0.491 416 1HD1 LEU 54 HD11 LEU 54 -9.530 -2.118 -1.853 417 2HD1 LEU 54 HD12 LEU 54 -8.073 -2.921 -1.265 418 3HD1 LEU 54 HD13 LEU 54 -7.941 -1.502 -2.305 419 1HD2 LEU 54 HD21 LEU 54 -7.127 -0.277 1.105 420 2HD2 LEU 54 HD22 LEU 54 -6.584 -0.228 -0.573 421 3HD2 LEU 54 HD23 LEU 54 -6.592 -1.759 0.309 422 H ARG 55 HN ARG 55 -11.789 0.849 0.813 423 HA ARG 55 HA ARG 55 -12.692 3.175 -0.612 424 1HB ARG 55 HB2 ARG 55 -13.880 0.800 0.304 425 2HB ARG 55 HB1 ARG 55 -14.721 2.107 1.119 426 1HG ARG 55 HG2 ARG 55 -15.947 1.715 -0.833 427 2HG ARG 55 HG1 ARG 55 -15.002 3.161 -1.198 428 1HD ARG 55 HD2 ARG 55 -13.339 1.726 -2.341 429 2HD ARG 55 HD1 ARG 55 -14.383 0.334 -2.053 430 HE ARG 55 HE ARG 55 -15.662 2.523 -3.425 431 1HH1 ARG 55 HH11 ARG 55 -13.829 -0.434 -3.810 432 2HH1 ARG 55 HH12 ARG 55 -14.350 -0.696 -5.447 433 1HH2 ARG 55 HH21 ARG 55 -16.345 2.179 -5.577 434 2HH2 ARG 55 HH22 ARG 55 -15.781 0.790 -6.447 435 H ARG 56 HN ARG 56 -11.870 2.433 2.667 436 HA ARG 56 HA ARG 56 -12.867 4.947 3.672 437 1HB ARG 56 HB2 ARG 56 -11.079 2.884 4.959 438 2HB ARG 56 HB1 ARG 56 -11.719 4.306 5.768 439 1HG ARG 56 HG2 ARG 56 -13.335 2.045 4.625 440 2HG ARG 56 HG1 ARG 56 -12.982 2.311 6.332 441 1HD ARG 56 HD2 ARG 56 -14.127 4.544 6.103 442 2HD ARG 56 HD1 ARG 56 -14.646 4.024 4.500 443 HE ARG 56 HE ARG 56 -15.349 2.069 6.419 444 1HH1 ARG 56 HH11 ARG 56 -16.261 5.250 5.272 445 2HH1 ARG 56 HH12 ARG 56 -17.890 5.149 5.877 446 1HH2 ARG 56 HH21 ARG 56 -17.473 1.918 7.212 447 2HH2 ARG 56 HH22 ARG 56 -18.579 3.237 6.998 448 H LEU 57 HN LEU 57 -10.554 4.395 1.577 449 HA LEU 57 HA LEU 57 -8.693 6.355 2.751 450 1HB LEU 57 HB2 LEU 57 -7.811 4.037 2.117 451 2HB LEU 57 HB1 LEU 57 -8.088 4.494 0.450 452 HG LEU 57 HG LEU 57 -5.714 4.719 1.292 453 1HD1 LEU 57 HD11 LEU 57 -6.450 5.839 -0.741 454 2HD1 LEU 57 HD12 LEU 57 -5.299 6.835 0.150 455 3HD1 LEU 57 HD13 LEU 57 -7.022 7.210 0.209 456 1HD2 LEU 57 HD21 LEU 57 -5.179 6.733 2.590 457 2HD2 LEU 57 HD22 LEU 57 -6.183 5.602 3.498 458 3HD2 LEU 57 HD23 LEU 57 -6.903 7.049 2.791 459 H ALA 58 HN ALA 58 -9.824 5.256 -0.443 460 HA ALA 58 HA ALA 58 -9.973 8.020 -1.379 461 1HB ALA 58 HB1 ALA 58 -10.709 5.461 -2.816 462 2HB ALA 58 HB2 ALA 58 -9.129 6.241 -2.896 463 3HB ALA 58 HB3 ALA 58 -10.553 7.065 -3.539 464 H HIS 59 HN HIS 59 -11.972 8.876 -2.190 465 HA HIS 59 HA HIS 59 -14.318 8.307 -0.751 466 1HB HIS 59 HB2 HIS 59 -13.572 10.203 -2.622 467 2HB HIS 59 HB1 HIS 59 -14.772 9.254 -3.494 468 HD1 HIS 59 HD1 HIS 59 -17.050 10.157 -3.249 469 HD2 HIS 59 HD2 HIS 59 -14.706 10.938 0.096 470 HE1 HIS 59 HE1 HIS 59 -18.496 11.528 -1.709 471 HE2 HIS 59 HE2 HIS 59 -17.120 11.826 0.386 472 H GLY 60 HN GLY 60 -16.351 7.331 -1.787 473 1HA GLY 60 HA2 GLY 60 -15.621 4.635 -2.378 474 2HA GLY 60 HA1 GLY 60 -17.255 5.261 -2.243 475 H GLY 61 HN GLY 61 -14.867 6.482 -4.509 476 1HA GLY 61 HA2 GLY 61 -16.539 5.491 -6.700 477 2HA GLY 61 HA1 GLY 61 -15.415 6.836 -6.818 478 H GLN 62 HN GLN 62 -13.928 6.209 -8.319 479 HA GLN 62 HA GLN 62 -13.001 3.578 -8.593 480 1HB GLN 62 HB2 GLN 62 -12.815 5.331 -10.324 481 2HB GLN 62 HB1 GLN 62 -11.588 6.126 -9.350 482 1HG GLN 62 HG2 GLN 62 -10.132 4.199 -9.519 483 2HG GLN 62 HG1 GLN 62 -11.351 3.339 -10.463 484 1HE2 GLN 62 HE21 GLN 62 -9.066 5.959 -10.445 485 2HE2 GLN 62 HE22 GLN 62 -8.975 6.159 -12.164 486 H VAL 63 HN VAL 63 -12.590 2.984 -6.412 487 HA VAL 63 HA VAL 63 -9.927 3.764 -5.487 488 HB VAL 63 HB VAL 63 -11.815 1.677 -4.354 489 1HG1 VAL 63 HG11 VAL 63 -9.364 2.987 -3.181 490 2HG1 VAL 63 HG12 VAL 63 -9.469 1.330 -3.774 491 3HG1 VAL 63 HG13 VAL 63 -10.407 1.824 -2.363 492 1HG2 VAL 63 HG21 VAL 63 -12.839 3.872 -4.234 493 2HG2 VAL 63 HG22 VAL 63 -11.385 4.529 -3.482 494 3HG2 VAL 63 HG23 VAL 63 -12.354 3.327 -2.627 495 H ASN 64 HN ASN 64 -8.454 2.886 -6.884 496 HA ASN 64 HA ASN 64 -8.906 0.110 -7.778 497 1HB ASN 64 HB2 ASN 64 -8.694 1.918 -9.533 498 2HB ASN 64 HB1 ASN 64 -7.037 2.146 -8.997 499 1HD2 ASN 64 HD21 ASN 64 -5.475 0.556 -9.453 500 2HD2 ASN 64 HD22 ASN 64 -5.784 -0.708 -10.602 501 H LEU 65 HN LEU 65 -7.362 -1.429 -7.383 502 HA LEU 65 HA LEU 65 -5.253 -0.556 -5.540 503 1HB LEU 65 HB2 LEU 65 -6.836 -2.085 -4.574 504 2HB LEU 65 HB1 LEU 65 -6.608 -3.233 -5.878 505 HG LEU 65 HG LEU 65 -4.254 -2.520 -4.185 506 1HD1 LEU 65 HD11 LEU 65 -6.465 -4.397 -3.344 507 2HD1 LEU 65 HD12 LEU 65 -6.051 -2.869 -2.570 508 3HD1 LEU 65 HD13 LEU 65 -4.905 -4.209 -2.540 509 1HD2 LEU 65 HD21 LEU 65 -5.232 -5.082 -5.448 510 2HD2 LEU 65 HD22 LEU 65 -3.708 -4.871 -4.587 511 3HD2 LEU 65 HD23 LEU 65 -3.990 -4.014 -6.104 512 H ASP 66 HN ASP 66 -3.320 -0.445 -6.272 513 HA ASP 66 HA ASP 66 -2.560 -1.913 -8.707 514 1HB ASP 66 HB2 ASP 66 -1.512 0.624 -7.435 515 2HB ASP 66 HB1 ASP 66 -0.654 -0.202 -8.728 516 H MET 67 HN MET 67 -1.003 -3.458 -8.581 517 HA MET 67 HA MET 67 0.061 -3.962 -5.901 518 1HB MET 67 HB2 MET 67 -0.453 -5.691 -8.283 519 2HB MET 67 HB1 MET 67 0.715 -6.207 -7.075 520 1HG MET 67 HG2 MET 67 -0.990 -6.121 -5.351 521 2HG MET 67 HG1 MET 67 -2.166 -5.528 -6.529 522 1HE MET 67 HE1 MET 67 -3.742 -7.557 -5.615 523 2HE MET 67 HE2 MET 67 -2.441 -8.138 -4.577 524 3HE MET 67 HE3 MET 67 -3.257 -9.251 -5.676 525 H GLU 68 HN GLU 68 2.126 -3.970 -5.394 526 HA GLU 68 HA GLU 68 4.151 -3.822 -7.540 527 1HB GLU 68 HB2 GLU 68 4.016 -2.413 -4.892 528 2HB GLU 68 HB1 GLU 68 5.553 -2.701 -5.682 529 1HG GLU 68 HG2 GLU 68 4.764 -1.421 -7.625 530 2HG GLU 68 HG1 GLU 68 3.260 -1.088 -6.759 531 H ASP 69 HN ASP 69 6.137 -4.902 -7.076 532 HA ASP 69 HA ASP 69 5.955 -6.822 -4.843 533 1HB ASP 69 HB2 ASP 69 7.284 -8.376 -6.086 534 2HB ASP 69 HB1 ASP 69 6.006 -7.826 -7.163 535 H HIS 70 HN HIS 70 7.511 -6.762 -3.345 536 HA HIS 70 HA HIS 70 10.033 -5.390 -3.938 537 1HB HIS 70 HB2 HIS 70 8.226 -4.782 -1.590 538 2HB HIS 70 HB1 HIS 70 9.932 -4.367 -1.602 539 HD1 HIS 70 HD1 HIS 70 10.536 -2.162 -2.633 540 HD2 HIS 70 HD2 HIS 70 6.693 -3.382 -3.638 541 HE1 HIS 70 HE1 HIS 70 9.500 -0.211 -3.829 542 HE2 HIS 70 HE2 HIS 70 7.282 -1.073 -4.664 543 H ARG 71 HN ARG 71 8.165 -7.271 -1.634 544 HA ARG 71 HA ARG 71 8.543 -9.136 -0.477 545 1HB ARG 71 HB2 ARG 71 10.508 -9.595 -2.700 546 2HB ARG 71 HB1 ARG 71 10.009 -10.827 -1.544 547 1HG ARG 71 HG2 ARG 71 7.696 -10.581 -2.261 548 2HG ARG 71 HG1 ARG 71 8.177 -9.325 -3.400 549 1HD ARG 71 HD2 ARG 71 9.126 -12.183 -3.455 550 2HD ARG 71 HD1 ARG 71 7.843 -11.518 -4.466 551 HE ARG 71 HE ARG 71 9.659 -9.961 -5.314 552 1HH1 ARG 71 HH11 ARG 71 10.287 -13.183 -4.164 553 2HH1 ARG 71 HH12 ARG 71 11.761 -13.372 -5.057 554 1HH2 ARG 71 HH21 ARG 71 11.583 -10.189 -6.548 555 2HH2 ARG 71 HH22 ARG 71 12.485 -11.670 -6.435 556 H ASP 72 HN ASP 72 11.947 -9.176 -1.380 557 HA ASP 72 HA ASP 72 12.607 -9.491 1.388 558 1HB ASP 72 HB2 ASP 72 14.995 -9.548 0.525 559 2HB ASP 72 HB1 ASP 72 13.908 -10.791 -0.080 560 H GLU 73 HN GLU 73 11.741 -6.827 -0.054 561 HA GLU 73 HA GLU 73 13.692 -4.985 0.980 562 1HB GLU 73 HB2 GLU 73 10.932 -4.661 -0.196 563 2HB GLU 73 HB1 GLU 73 11.934 -3.318 0.314 564 1HG GLU 73 HG2 GLU 73 12.519 -5.298 -1.863 565 2HG GLU 73 HG1 GLU 73 12.150 -3.582 -2.047 566 H ASP 74 HN ASP 74 11.693 -6.953 2.500 567 HA ASP 74 HA ASP 74 10.578 -7.048 4.453 568 1HB ASP 74 HB2 ASP 74 12.407 -4.757 4.978 569 2HB ASP 74 HB1 ASP 74 11.124 -5.105 6.132 570 H PHE 75 HN PHE 75 10.477 -3.717 5.016 571 HA PHE 75 HA PHE 75 7.919 -3.387 3.667 572 1HB PHE 75 HB2 PHE 75 7.292 -4.203 5.844 573 2HB PHE 75 HB1 PHE 75 8.300 -2.998 6.628 574 HD1 PHE 75 HD1 PHE 75 7.008 -1.454 7.715 575 HD2 PHE 75 HD2 PHE 75 5.774 -2.855 3.895 576 HE1 PHE 75 HE1 PHE 75 5.085 0.075 7.776 577 HE2 PHE 75 HE2 PHE 75 3.837 -1.338 3.947 578 HZ PHE 75 HZ PHE 75 3.504 0.134 5.893 579 H VAL 76 HN VAL 76 7.994 -1.598 2.567 580 HA VAL 76 HA VAL 76 8.699 0.899 3.869 581 HB VAL 76 HB VAL 76 9.858 1.607 1.637 582 1HG1 VAL 76 HG11 VAL 76 12.045 0.979 2.535 583 2HG1 VAL 76 HG12 VAL 76 11.265 -0.155 3.637 584 3HG1 VAL 76 HG13 VAL 76 10.973 1.577 3.802 585 1HG2 VAL 76 HG21 VAL 76 10.334 -1.374 1.599 586 2HG2 VAL 76 HG22 VAL 76 11.154 -0.189 0.581 587 3HG2 VAL 76 HG23 VAL 76 9.418 -0.452 0.407 588 H LYS 77 HN LYS 77 6.616 1.634 3.776 589 HA LYS 77 HA LYS 77 5.594 2.237 1.131 590 1HB LYS 77 HB2 LYS 77 4.304 0.377 1.372 591 2HB LYS 77 HB1 LYS 77 4.250 0.493 3.113 592 1HG LYS 77 HG2 LYS 77 2.060 0.900 2.518 593 2HG LYS 77 HG1 LYS 77 2.695 2.536 2.672 594 1HD LYS 77 HD2 LYS 77 2.621 1.093 0.033 595 2HD LYS 77 HD1 LYS 77 1.242 2.013 0.637 596 1HE LYS 77 HE2 LYS 77 4.008 3.139 0.321 597 2HE LYS 77 HE1 LYS 77 2.755 3.263 -0.917 598 1HZ LYS 77 HZ1 LYS 77 2.362 4.256 1.858 599 2HZ LYS 77 HZ2 LYS 77 1.423 4.593 0.481 600 3HZ LYS 77 HZ3 LYS 77 2.987 5.227 0.616 601 HA PRO 78 HA PRO 78 3.610 5.460 4.170 602 1HB PRO 78 HB2 PRO 78 4.470 4.451 6.801 603 2HB PRO 78 HB1 PRO 78 2.864 5.004 6.292 604 1HG PRO 78 HG2 PRO 78 3.331 2.422 6.752 605 2HG PRO 78 HG1 PRO 78 2.314 2.924 5.380 606 1HD PRO 78 HD2 PRO 78 5.222 2.124 5.368 607 2HD PRO 78 HD1 PRO 78 3.911 1.610 4.295 608 H LYS 79 HN LYS 79 6.496 3.852 5.167 609 HA LYS 79 HA LYS 79 7.996 5.460 6.635 610 1HB LYS 79 HB2 LYS 79 9.127 4.173 4.155 611 2HB LYS 79 HB1 LYS 79 9.976 4.529 5.653 612 1HG LYS 79 HG2 LYS 79 7.829 2.467 5.220 613 2HG LYS 79 HG1 LYS 79 9.534 2.184 5.566 614 1HD LYS 79 HD2 LYS 79 7.570 3.517 7.425 615 2HD LYS 79 HD1 LYS 79 8.095 1.838 7.536 616 1HE LYS 79 HE2 LYS 79 10.399 2.588 7.900 617 2HE LYS 79 HE1 LYS 79 9.870 4.267 7.784 618 1HZ LYS 79 HZ1 LYS 79 10.061 3.627 10.084 619 2HZ LYS 79 HZ2 LYS 79 9.038 2.294 9.845 620 3HZ LYS 79 HZ3 LYS 79 8.423 3.869 9.712 621 H GLY 80 HN GLY 80 7.812 5.895 3.076 622 1HA GLY 80 HA2 GLY 80 7.768 8.618 3.009 623 2HA GLY 80 HA1 GLY 80 9.476 8.236 3.193 624 H ALA 81 HN ALA 81 8.850 9.567 1.005 625 HA ALA 81 HA ALA 81 9.047 9.621 -1.246 626 1HB ALA 81 HB1 ALA 81 10.192 7.779 -2.368 627 2HB ALA 81 HB2 ALA 81 9.985 6.766 -0.940 628 3HB ALA 81 HB3 ALA 81 11.008 8.201 -0.862 629 H PHE 82 HN PHE 82 8.474 7.892 -3.263 630 HA PHE 82 HA PHE 82 5.785 6.904 -2.637 631 1HB PHE 82 HB2 PHE 82 6.632 8.547 -5.030 632 2HB PHE 82 HB1 PHE 82 5.124 7.641 -4.971 633 HD1 PHE 82 HD1 PHE 82 3.423 8.229 -3.221 634 HD2 PHE 82 HD2 PHE 82 6.822 10.662 -4.026 635 HE1 PHE 82 HE1 PHE 82 2.322 10.129 -2.107 636 HE2 PHE 82 HE2 PHE 82 5.726 12.567 -2.915 637 HZ PHE 82 HZ PHE 82 3.474 12.300 -1.955 638 H LYS 83 HN LYS 83 5.207 5.010 -3.547 639 HA LYS 83 HA LYS 83 5.455 2.923 -4.326 640 1HB LYS 83 HB2 LYS 83 7.364 4.170 -6.301 641 2HB LYS 83 HB1 LYS 83 6.673 2.557 -6.423 642 1HG LYS 83 HG2 LYS 83 4.465 4.154 -6.095 643 2HG LYS 83 HG1 LYS 83 5.529 5.133 -7.107 644 1HD LYS 83 HD2 LYS 83 4.713 2.281 -7.671 645 2HD LYS 83 HD1 LYS 83 4.058 3.712 -8.466 646 1HE LYS 83 HE2 LYS 83 6.209 4.225 -9.421 647 2HE LYS 83 HE1 LYS 83 6.968 2.919 -8.514 648 1HZ LYS 83 HZ1 LYS 83 5.714 1.314 -9.768 649 2HZ LYS 83 HZ2 LYS 83 6.524 2.337 -10.846 650 3HZ LYS 83 HZ3 LYS 83 4.865 2.537 -10.579 651 H ALA 84 HN ALA 84 7.982 4.526 -2.915 652 HA ALA 84 HA ALA 84 9.826 3.924 -1.762 653 1HB ALA 84 HB1 ALA 84 9.956 1.663 -0.854 654 2HB ALA 84 HB2 ALA 84 8.696 1.134 -1.966 655 3HB ALA 84 HB3 ALA 84 8.321 2.309 -0.705 656 H PHE 85 HN PHE 85 9.932 4.114 -4.608 657 HA PHE 85 HA PHE 85 11.501 3.996 -6.222 658 1HB PHE 85 HB2 PHE 85 13.150 2.698 -4.049 659 2HB PHE 85 HB1 PHE 85 13.778 3.130 -5.637 660 HD1 PHE 85 HD1 PHE 85 12.927 4.304 -2.344 661 HD2 PHE 85 HD2 PHE 85 13.818 5.529 -6.319 662 HE1 PHE 85 HE1 PHE 85 13.414 6.573 -1.530 663 HE2 PHE 85 HE2 PHE 85 14.307 7.802 -5.513 664 HZ PHE 85 HZ PHE 85 14.108 8.326 -3.115 665 H THR 86 HN THR 86 9.827 2.461 -7.077 666 HA THR 86 HA THR 86 10.886 -0.238 -7.448 667 HB THR 86 HB THR 86 8.548 0.286 -9.029 668 HG1 THR 86 HG1 THR 86 7.469 0.543 -6.624 669 1HG2 THR 86 HG21 THR 86 9.195 -1.910 -8.195 670 2HG2 THR 86 HG22 THR 86 7.586 -1.485 -7.616 671 3HG2 THR 86 HG23 THR 86 8.974 -1.363 -6.535 672 H GLY 87 HN GLY 87 11.843 2.486 -8.625 673 1HA GLY 87 HA2 GLY 87 11.420 2.063 -11.477 674 2HA GLY 87 HA1 GLY 87 12.190 3.456 -10.736 675 H GLU 88 HN GLU 88 12.628 0.498 -12.298 676 HA GLU 88 HA GLU 88 14.396 -0.797 -12.871 677 1HB GLU 88 HB2 GLU 88 14.951 1.367 -14.001 678 2HB GLU 88 HB1 GLU 88 15.972 1.770 -12.627 679 1HG GLU 88 HG2 GLU 88 17.241 0.888 -14.533 680 2HG GLU 88 HG1 GLU 88 17.407 -0.112 -13.089 681 H GLY 89 HN GLY 89 14.286 -1.971 -10.909 682 1HA GLY 89 HA2 GLY 89 16.013 -2.981 -9.458 683 2HA GLY 89 HA1 GLY 89 16.464 -1.338 -9.015 684 H GLN 90 HN GLN 90 16.084 -1.946 -6.785 685 HA GLN 90 HA GLN 90 13.293 -1.535 -6.072 686 1HB GLN 90 HB2 GLN 90 14.001 -4.086 -6.303 687 2HB GLN 90 HB1 GLN 90 14.658 -3.803 -4.696 688 1HG GLN 90 HG2 GLN 90 12.377 -4.729 -4.678 689 2HG GLN 90 HG1 GLN 90 12.504 -3.168 -3.865 690 1HE2 GLN 90 HE21 GLN 90 11.331 -4.837 -6.682 691 2HE2 GLN 90 HE22 GLN 90 10.269 -3.586 -7.219 692 H LYS 91 HN LYS 91 13.482 0.189 -4.835 693 HA LYS 91 HA LYS 91 13.890 1.475 -3.010 694 1HB LYS 91 HB2 LYS 91 13.855 -0.692 -1.746 695 2HB LYS 91 HB1 LYS 91 15.603 -0.764 -1.924 696 1HG LYS 91 HG2 LYS 91 15.865 1.251 -0.638 697 2HG LYS 91 HG1 LYS 91 14.119 1.476 -0.566 698 1HD LYS 91 HD2 LYS 91 14.598 0.555 1.504 699 2HD LYS 91 HD1 LYS 91 14.101 -0.850 0.566 700 1HE LYS 91 HE2 LYS 91 16.965 -0.017 1.015 701 2HE LYS 91 HE1 LYS 91 16.118 -1.223 1.979 702 1HZ LYS 91 HZ1 LYS 91 17.267 -2.463 0.417 703 2HZ LYS 91 HZ2 LYS 91 16.964 -1.375 -0.840 704 3HZ LYS 91 HZ3 LYS 91 15.714 -2.364 -0.262 705 H LEU 92 HN LEU 92 16.751 -0.222 -4.217 706 HA LEU 92 HA LEU 92 18.788 0.519 -4.892 707 1HB LEU 92 HB2 LEU 92 17.276 3.100 -5.305 708 2HB LEU 92 HB1 LEU 92 18.841 2.718 -5.997 709 HG LEU 92 HG LEU 92 16.261 1.266 -6.595 710 1HD1 LEU 92 HD11 LEU 92 16.264 3.499 -7.540 711 2HD1 LEU 92 HD12 LEU 92 16.474 2.297 -8.815 712 3HD1 LEU 92 HD13 LEU 92 17.860 3.224 -8.237 713 1HD2 LEU 92 HD21 LEU 92 17.537 0.129 -8.331 714 2HD2 LEU 92 HD22 LEU 92 18.225 -0.192 -6.737 715 3HD2 LEU 92 HD23 LEU 92 19.002 0.968 -7.818 716 H GLY 93 HN GLY 93 18.928 0.351 -2.316 717 1HA GLY 93 HA2 GLY 93 20.625 0.991 -0.844 718 2HA GLY 93 HA1 GLY 93 20.791 2.500 -1.720 719 H SER 94 HN SER 94 17.884 3.044 -1.526 720 HA SER 94 HA SER 94 16.686 4.528 -0.288 721 1HB SER 94 HB2 SER 94 15.997 3.660 1.968 722 2HB SER 94 HB1 SER 94 15.770 2.519 0.644 723 HG SER 94 HG SER 94 18.227 2.281 1.783 724 H THR 95 HN THR 95 19.075 5.593 -0.508 725 HA THR 95 HA THR 95 20.300 6.104 2.042 726 HB THR 95 HB THR 95 21.605 7.815 0.559 727 HG1 THR 95 HG1 THR 95 20.138 7.700 -1.224 728 1HG2 THR 95 HG21 THR 95 21.814 4.838 0.088 729 2HG2 THR 95 HG22 THR 95 22.531 5.718 1.438 730 3HG2 THR 95 HG23 THR 95 23.086 6.025 -0.209 731 H ALA 96 HN ALA 96 17.896 6.840 2.548 732 HA ALA 96 HA ALA 96 17.833 9.786 2.337 733 1HB ALA 96 HB1 ALA 96 15.407 9.610 2.685 734 2HB ALA 96 HB2 ALA 96 15.545 7.852 2.714 735 3HB ALA 96 HB3 ALA 96 15.926 8.743 1.242 736 HA PRO 97 HA PRO 97 18.685 8.914 6.793 737 1HB PRO 97 HB2 PRO 97 19.947 11.289 7.225 738 2HB PRO 97 HB1 PRO 97 20.768 9.853 6.605 739 1HG PRO 97 HG2 PRO 97 19.718 12.229 5.121 740 2HG PRO 97 HG1 PRO 97 21.251 11.360 4.907 741 1HD PRO 97 HD2 PRO 97 19.128 10.974 3.282 742 2HD PRO 97 HD1 PRO 97 20.265 9.673 3.682 743 H GLN 98 HN GLN 98 16.878 11.192 5.056 744 HA GLN 98 HA GLN 98 15.483 12.000 7.514 745 1HB GLN 98 HB2 GLN 98 15.012 14.183 6.531 746 2HB GLN 98 HB1 GLN 98 16.744 13.919 6.640 747 1HG GLN 98 HG2 GLN 98 15.121 13.554 4.134 748 2HG GLN 98 HG1 GLN 98 15.989 15.027 4.553 749 1HE2 GLN 98 HE21 GLN 98 18.271 14.985 4.581 750 2HE2 GLN 98 HE22 GLN 98 19.151 13.787 3.688 751 H VAL 99 HN VAL 99 13.192 12.784 6.963 752 HA VAL 99 HA VAL 99 12.026 10.647 5.333 753 HB VAL 99 HB VAL 99 10.652 12.498 7.289 754 1HG1 VAL 99 HG11 VAL 99 9.109 11.584 5.671 755 2HG1 VAL 99 HG12 VAL 99 8.856 10.804 7.233 756 3HG1 VAL 99 HG13 VAL 99 9.727 9.957 5.955 757 1HG2 VAL 99 HG21 VAL 99 11.664 9.683 7.684 758 2HG2 VAL 99 HG22 VAL 99 10.672 10.583 8.831 759 3HG2 VAL 99 HG23 VAL 99 12.298 11.143 8.444 760 H LEU 100 HN LEU 100 12.079 14.141 5.676 761 HA LEU 100 HA LEU 100 10.369 14.387 3.303 762 1HB LEU 100 HB2 LEU 100 11.077 16.325 5.487 763 2HB LEU 100 HB1 LEU 100 10.265 16.816 4.010 764 HG LEU 100 HG LEU 100 9.162 14.659 5.776 765 1HD1 LEU 100 HD11 LEU 100 9.389 16.648 7.156 766 2HD1 LEU 100 HD12 LEU 100 7.692 16.375 6.758 767 3HD1 LEU 100 HD13 LEU 100 8.609 17.622 5.911 768 1HD2 LEU 100 HD21 LEU 100 7.898 16.481 3.738 769 2HD2 LEU 100 HD22 LEU 100 7.068 15.236 4.667 770 3HD2 LEU 100 HD23 LEU 100 8.305 14.783 3.495 771 H SER 101 HN SER 101 10.964 16.037 1.716 772 HA SER 101 HA SER 101 12.344 17.151 0.311 773 1HB SER 101 HB2 SER 101 14.375 17.104 2.557 774 2HB SER 101 HB1 SER 101 14.399 18.155 1.140 775 HG SER 101 HG SER 101 13.525 19.128 3.092 776 H THR 102 HN THR 102 12.551 14.104 0.943 777 HA THR 102 HA THR 102 14.573 13.657 -1.102 778 HB THR 102 HB THR 102 14.625 12.194 1.543 779 HG1 THR 102 HG1 THR 102 15.666 14.451 1.013 780 1HG2 THR 102 HG21 THR 102 16.557 11.005 0.610 781 2HG2 THR 102 HG22 THR 102 16.329 11.836 -0.928 782 3HG2 THR 102 HG23 THR 102 15.106 10.706 -0.346 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 15.584 4.297 -13.583 2 2H GLY 1 HT2 GLY 1 16.831 4.104 -12.444 3 3H GLY 1 HT3 GLY 1 15.977 2.750 -13.015 4 1HA GLY 1 HA1 GLY 1 16.873 2.997 -15.202 5 2HA GLY 1 HA2 GLY 1 17.647 4.504 -14.730 6 H SER 2 HN SER 2 19.689 3.675 -15.348 7 HA SER 2 HA SER 2 20.805 1.418 -13.932 8 1HB SER 2 HB2 SER 2 22.226 3.535 -15.577 9 2HB SER 2 HB1 SER 2 22.857 1.952 -15.125 10 HG SER 2 HG SER 2 21.223 1.002 -16.411 11 H GLU 3 HN GLU 3 20.641 1.946 -11.749 12 HA GLU 3 HA GLU 3 22.166 4.281 -10.835 13 1HB GLU 3 HB2 GLU 3 20.274 4.818 -9.288 14 2HB GLU 3 HB1 GLU 3 19.899 5.060 -10.989 15 1HG GLU 3 HG2 GLU 3 18.827 2.803 -10.984 16 2HG GLU 3 HG1 GLU 3 19.048 2.771 -9.236 17 H LYS 4 HN LYS 4 22.099 4.289 -8.325 18 HA LYS 4 HA LYS 4 22.963 1.634 -7.448 19 1HB LYS 4 HB2 LYS 4 23.290 4.358 -6.159 20 2HB LYS 4 HB1 LYS 4 23.914 2.857 -5.498 21 1HG LYS 4 HG2 LYS 4 25.744 3.903 -6.522 22 2HG LYS 4 HG1 LYS 4 25.258 2.631 -7.638 23 1HD LYS 4 HD2 LYS 4 24.082 4.271 -9.011 24 2HD LYS 4 HD1 LYS 4 24.518 5.549 -7.878 25 1HE LYS 4 HE2 LYS 4 26.886 5.158 -8.350 26 2HE LYS 4 HE1 LYS 4 26.449 3.873 -9.474 27 1HZ LYS 4 HZ1 LYS 4 25.653 6.721 -9.771 28 2HZ LYS 4 HZ2 LYS 4 25.350 5.472 -10.877 29 3HZ LYS 4 HZ3 LYS 4 26.941 5.983 -10.588 30 H ARG 5 HN ARG 5 20.303 3.595 -7.412 31 HA ARG 5 HA ARG 5 18.241 3.422 -6.512 32 1HB ARG 5 HB2 ARG 5 19.042 0.873 -6.548 33 2HB ARG 5 HB1 ARG 5 18.916 1.087 -4.809 34 1HG ARG 5 HG2 ARG 5 16.864 0.173 -5.697 35 2HG ARG 5 HG1 ARG 5 16.585 1.801 -5.072 36 1HD ARG 5 HD2 ARG 5 16.601 2.723 -7.279 37 2HD ARG 5 HD1 ARG 5 17.128 1.192 -7.972 38 HE ARG 5 HE ARG 5 14.792 0.512 -6.844 39 1HH1 ARG 5 HH11 ARG 5 15.657 3.235 -8.888 40 2HH1 ARG 5 HH12 ARG 5 14.118 3.267 -9.702 41 1HH2 ARG 5 HH21 ARG 5 12.770 0.582 -7.870 42 2HH2 ARG 5 HH22 ARG 5 12.462 1.762 -9.111 43 H GLN 6 HN GLN 6 19.769 1.932 -3.715 44 HA GLN 6 HA GLN 6 19.855 2.530 -1.529 45 1HB GLN 6 HB2 GLN 6 20.518 5.228 -2.715 46 2HB GLN 6 HB1 GLN 6 20.805 4.746 -1.050 47 1HG GLN 6 HG2 GLN 6 22.375 3.057 -1.778 48 2HG GLN 6 HG1 GLN 6 22.053 3.458 -3.466 49 1HE2 GLN 6 HE21 GLN 6 24.547 3.540 -1.957 50 2HE2 GLN 6 HE22 GLN 6 25.128 5.163 -2.101 51 H HIS 7 HN HIS 7 19.009 5.832 -2.006 52 HA HIS 7 HA HIS 7 17.290 7.116 -1.286 53 1HB HIS 7 HB2 HIS 7 15.708 4.612 -1.856 54 2HB HIS 7 HB1 HIS 7 14.957 6.081 -1.248 55 HD1 HIS 7 HD1 HIS 7 13.806 5.353 -3.783 56 HD2 HIS 7 HD2 HIS 7 17.415 7.420 -3.635 57 HE1 HIS 7 HE1 HIS 7 14.066 6.436 -6.038 58 HE2 HIS 7 HE2 HIS 7 16.151 7.836 -5.858 59 H SER 8 HN SER 8 16.198 4.036 0.100 60 HA SER 8 HA SER 8 16.191 5.324 2.725 61 1HB SER 8 HB2 SER 8 14.942 2.709 1.838 62 2HB SER 8 HB1 SER 8 14.706 3.496 3.398 63 HG SER 8 HG SER 8 13.145 4.553 2.485 64 H SER 9 HN SER 9 17.976 5.028 3.908 65 HA SER 9 HA SER 9 19.514 2.561 3.523 66 1HB SER 9 HB2 SER 9 21.251 3.891 4.873 67 2HB SER 9 HB1 SER 9 20.900 4.454 3.239 68 HG SER 9 HG SER 9 20.491 6.287 4.170 69 H GLN 10 HN GLN 10 18.230 4.641 6.081 70 HA GLN 10 HA GLN 10 18.836 2.682 8.113 71 1HB GLN 10 HB2 GLN 10 17.271 5.256 8.310 72 2HB GLN 10 HB1 GLN 10 17.882 4.304 9.658 73 1HG GLN 10 HG2 GLN 10 20.126 4.800 9.102 74 2HG GLN 10 HG1 GLN 10 19.647 5.513 7.562 75 1HE2 GLN 10 HE21 GLN 10 17.897 6.042 10.541 76 2HE2 GLN 10 HE22 GLN 10 18.324 7.712 10.715 77 H ASP 11 HN ASP 11 15.954 4.096 6.616 78 HA ASP 11 HA ASP 11 14.402 1.784 7.439 79 1HB ASP 11 HB2 ASP 11 12.682 3.049 8.513 80 2HB ASP 11 HB1 ASP 11 14.210 3.502 9.256 81 H VAL 12 HN VAL 12 12.751 1.284 6.102 82 HA VAL 12 HA VAL 12 12.063 3.251 4.037 83 HB VAL 12 HB VAL 12 12.770 1.310 2.874 84 1HG1 VAL 12 HG11 VAL 12 10.931 -0.286 4.637 85 2HG1 VAL 12 HG12 VAL 12 12.696 -0.291 4.698 86 3HG1 VAL 12 HG13 VAL 12 11.857 -0.921 3.276 87 1HG2 VAL 12 HG21 VAL 12 10.781 2.317 1.948 88 2HG2 VAL 12 HG22 VAL 12 9.768 1.319 2.992 89 3HG2 VAL 12 HG23 VAL 12 10.734 0.566 1.724 90 H HIS 13 HN HIS 13 10.251 4.254 4.400 91 HA HIS 13 HA HIS 13 8.133 2.872 5.905 92 1HB HIS 13 HB2 HIS 13 9.114 5.666 5.908 93 2HB HIS 13 HB1 HIS 13 7.366 5.469 5.976 94 HD1 HIS 13 HD1 HIS 13 10.404 5.293 8.050 95 HD2 HIS 13 HD2 HIS 13 6.477 3.939 8.237 96 HE1 HIS 13 HE1 HIS 13 9.978 4.767 10.473 97 HE2 HIS 13 HE2 HIS 13 7.520 4.206 10.588 98 H VAL 14 HN VAL 14 6.805 1.982 4.442 99 HA VAL 14 HA VAL 14 6.150 3.561 2.056 100 HB VAL 14 HB VAL 14 5.231 1.413 1.128 101 1HG1 VAL 14 HG11 VAL 14 8.158 1.450 1.852 102 2HG1 VAL 14 HG12 VAL 14 7.416 2.249 0.465 103 3HG1 VAL 14 HG13 VAL 14 7.429 0.488 0.563 104 1HG2 VAL 14 HG21 VAL 14 6.656 0.208 3.498 105 2HG2 VAL 14 HG22 VAL 14 5.961 -0.685 2.145 106 3HG2 VAL 14 HG23 VAL 14 4.913 0.223 3.235 107 H VAL 15 HN VAL 15 4.229 4.426 1.844 108 HA VAL 15 HA VAL 15 2.157 3.834 3.774 109 HB VAL 15 HB VAL 15 2.543 6.179 3.188 110 1HG1 VAL 15 HG11 VAL 15 1.974 7.034 0.946 111 2HG1 VAL 15 HG12 VAL 15 1.772 5.371 0.384 112 3HG1 VAL 15 HG13 VAL 15 3.355 5.935 0.923 113 1HG2 VAL 15 HG21 VAL 15 -0.110 5.141 2.198 114 2HG2 VAL 15 HG22 VAL 15 0.230 6.819 2.615 115 3HG2 VAL 15 HG23 VAL 15 0.301 5.570 3.859 116 H LEU 16 HN LEU 16 0.504 2.513 3.422 117 HA LEU 16 HA LEU 16 0.126 1.475 0.695 118 1HB LEU 16 HB2 LEU 16 0.776 0.005 2.788 119 2HB LEU 16 HB1 LEU 16 -0.935 0.114 3.140 120 HG LEU 16 HG LEU 16 0.340 -1.092 0.692 121 1HD1 LEU 16 HD11 LEU 16 0.482 -2.555 2.565 122 2HD1 LEU 16 HD12 LEU 16 -0.818 -3.131 1.516 123 3HD1 LEU 16 HD13 LEU 16 -1.199 -2.250 2.997 124 1HD2 LEU 16 HD21 LEU 16 -1.725 0.058 0.089 125 2HD2 LEU 16 HD22 LEU 16 -2.576 -0.802 1.371 126 3HD2 LEU 16 HD23 LEU 16 -1.917 -1.691 -0.003 127 H LYS 17 HN LYS 17 -1.606 2.246 -0.280 128 HA LYS 17 HA LYS 17 -3.923 3.026 1.346 129 1HB LYS 17 HB2 LYS 17 -3.284 3.698 -1.540 130 2HB LYS 17 HB1 LYS 17 -4.706 4.225 -0.663 131 1HG LYS 17 HG2 LYS 17 -3.392 5.590 0.793 132 2HG LYS 17 HG1 LYS 17 -1.891 4.933 0.138 133 1HD LYS 17 HD2 LYS 17 -2.414 5.881 -2.046 134 2HD LYS 17 HD1 LYS 17 -3.937 6.503 -1.419 135 1HE LYS 17 HE2 LYS 17 -1.269 7.278 -0.260 136 2HE LYS 17 HE1 LYS 17 -2.010 8.150 -1.599 137 1HZ LYS 17 HZ1 LYS 17 -2.906 7.953 1.206 138 2HZ LYS 17 HZ2 LYS 17 -4.008 8.327 -0.024 139 3HZ LYS 17 HZ3 LYS 17 -2.680 9.331 0.244 140 H LEU 18 HN LEU 18 -5.806 1.983 1.158 141 HA LEU 18 HA LEU 18 -5.873 -0.441 -0.506 142 1HB LEU 18 HB2 LEU 18 -7.341 0.504 1.949 143 2HB LEU 18 HB1 LEU 18 -8.012 -0.774 0.964 144 HG LEU 18 HG LEU 18 -6.846 -1.661 2.909 145 1HD1 LEU 18 HD11 LEU 18 -5.409 -2.255 0.335 146 2HD1 LEU 18 HD12 LEU 18 -6.930 -2.973 0.871 147 3HD1 LEU 18 HD13 LEU 18 -5.443 -3.281 1.771 148 1HD2 LEU 18 HD21 LEU 18 -5.200 0.075 3.263 149 2HD2 LEU 18 HD22 LEU 18 -4.397 -0.343 1.749 150 3HD2 LEU 18 HD23 LEU 18 -4.401 -1.490 3.090 151 H TRP 19 HN TRP 19 -7.394 -0.679 -2.105 152 HA TRP 19 HA TRP 19 -9.258 1.567 -2.520 153 1HB TRP 19 HB2 TRP 19 -7.848 0.105 -4.746 154 2HB TRP 19 HB1 TRP 19 -8.767 1.600 -4.854 155 HD1 TRP 19 HD1 TRP 19 -5.345 0.254 -4.285 156 HE1 TRP 19 HE1 TRP 19 -3.683 2.201 -4.077 157 HE3 TRP 19 HE3 TRP 19 -8.680 4.102 -3.646 158 HZ2 TRP 19 HZ2 TRP 19 -3.753 4.946 -3.714 159 HZ3 TRP 19 HZ3 TRP 19 -7.770 6.370 -3.327 160 HH2 TRP 19 HH2 TRP 19 -5.356 6.784 -3.334 161 H LYS 20 HN LYS 20 -10.708 0.833 -4.548 162 HA LYS 20 HA LYS 20 -12.230 -1.380 -3.603 163 1HB LYS 20 HB2 LYS 20 -13.621 -0.901 -5.667 164 2HB LYS 20 HB1 LYS 20 -13.470 0.410 -4.508 165 1HG LYS 20 HG2 LYS 20 -13.123 1.569 -6.431 166 2HG LYS 20 HG1 LYS 20 -11.461 1.098 -6.081 167 1HD LYS 20 HD2 LYS 20 -11.855 0.674 -8.396 168 2HD LYS 20 HD1 LYS 20 -11.800 -0.890 -7.579 169 1HE LYS 20 HE2 LYS 20 -14.218 -1.011 -7.578 170 2HE LYS 20 HE1 LYS 20 -14.332 0.606 -8.271 171 1HZ LYS 20 HZ1 LYS 20 -14.644 -1.145 -9.928 172 2HZ LYS 20 HZ2 LYS 20 -13.084 -1.737 -9.614 173 3HZ LYS 20 HZ3 LYS 20 -13.288 -0.190 -10.276 174 H SER 21 HN SER 21 -9.794 -0.953 -6.039 175 HA SER 21 HA SER 21 -10.325 -3.582 -7.184 176 1HB SER 21 HB2 SER 21 -8.234 -1.526 -7.942 177 2HB SER 21 HB1 SER 21 -8.627 -2.989 -8.844 178 HG SER 21 HG SER 21 -10.618 -2.155 -9.335 179 H GLY 22 HN GLY 22 -7.730 -1.838 -5.485 180 1HA GLY 22 HA2 GLY 22 -6.775 -4.292 -4.352 181 2HA GLY 22 HA1 GLY 22 -5.708 -3.652 -5.590 182 H PHE 23 HN PHE 23 -4.011 -2.931 -4.528 183 HA PHE 23 HA PHE 23 -4.366 -0.879 -2.474 184 1HB PHE 23 HB2 PHE 23 -2.838 -2.054 -0.933 185 2HB PHE 23 HB1 PHE 23 -4.273 -3.019 -1.258 186 HD1 PHE 23 HD1 PHE 23 -0.667 -2.724 -1.772 187 HD2 PHE 23 HD2 PHE 23 -4.137 -5.064 -2.542 188 HE1 PHE 23 HE1 PHE 23 0.754 -4.593 -2.498 189 HE2 PHE 23 HE2 PHE 23 -2.722 -6.935 -3.265 190 HZ PHE 23 HZ PHE 23 -0.275 -6.700 -3.246 191 H SER 24 HN SER 24 -2.617 0.546 -2.348 192 HA SER 24 HA SER 24 -0.372 0.020 -4.201 193 1HB SER 24 HB2 SER 24 -0.365 2.466 -4.697 194 2HB SER 24 HB1 SER 24 -1.851 1.674 -5.220 195 HG SER 24 HG SER 24 -1.661 2.893 -2.687 196 H LEU 25 HN LEU 25 1.630 0.904 -3.608 197 HA LEU 25 HA LEU 25 1.791 1.811 -0.811 198 1HB LEU 25 HB2 LEU 25 3.879 0.029 -2.054 199 2HB LEU 25 HB1 LEU 25 3.640 0.407 -0.361 200 HG LEU 25 HG LEU 25 1.404 -0.884 -0.634 201 1HD1 LEU 25 HD11 LEU 25 1.478 -1.052 -3.072 202 2HD1 LEU 25 HD12 LEU 25 1.438 -2.643 -2.305 203 3HD1 LEU 25 HD13 LEU 25 2.953 -2.014 -2.953 204 1HD2 LEU 25 HD21 LEU 25 4.053 -2.310 -0.662 205 2HD2 LEU 25 HD22 LEU 25 2.524 -2.991 -0.107 206 3HD2 LEU 25 HD23 LEU 25 3.248 -1.632 0.752 207 H ASP 26 HN ASP 26 4.258 2.583 -0.491 208 HA ASP 26 HA ASP 26 4.608 4.760 -2.288 209 1HB ASP 26 HB2 ASP 26 5.255 4.872 0.091 210 2HB ASP 26 HB1 ASP 26 6.515 3.678 -0.200 211 H ASN 27 HN ASN 27 5.836 1.536 -2.136 212 HA ASN 27 HA ASN 27 8.074 1.986 -3.904 213 1HB ASN 27 HB2 ASN 27 8.550 -0.347 -3.668 214 2HB ASN 27 HB1 ASN 27 8.035 0.212 -2.077 215 1HD2 ASN 27 HD21 ASN 27 5.961 -0.369 -1.337 216 2HD2 ASN 27 HD22 ASN 27 5.070 -1.680 -2.027 217 H GLY 28 HN GLY 28 4.727 1.143 -4.219 218 1HA GLY 28 HA2 GLY 28 4.946 1.038 -7.094 219 2HA GLY 28 HA1 GLY 28 4.534 -0.503 -6.357 220 H GLU 29 HN GLU 29 2.940 1.165 -8.150 221 HA GLU 29 HA GLU 29 1.026 2.605 -6.570 222 1HB GLU 29 HB2 GLU 29 1.114 1.940 -9.512 223 2HB GLU 29 HB1 GLU 29 -0.055 3.024 -8.762 224 1HG GLU 29 HG2 GLU 29 1.617 4.577 -8.164 225 2HG GLU 29 HG1 GLU 29 2.910 3.442 -8.541 226 H LEU 30 HN LEU 30 -1.370 2.065 -7.958 227 HA LEU 30 HA LEU 30 -2.406 0.238 -6.109 228 1HB LEU 30 HB2 LEU 30 -3.604 2.145 -7.159 229 2HB LEU 30 HB1 LEU 30 -3.719 1.237 -8.640 230 HG LEU 30 HG LEU 30 -5.024 0.513 -6.017 231 1HD1 LEU 30 HD11 LEU 30 -6.127 1.725 -8.516 232 2HD1 LEU 30 HD12 LEU 30 -6.125 2.394 -6.879 233 3HD1 LEU 30 HD13 LEU 30 -7.121 0.994 -7.257 234 1HD2 LEU 30 HD21 LEU 30 -5.390 -0.736 -8.707 235 2HD2 LEU 30 HD22 LEU 30 -6.271 -1.137 -7.233 236 3HD2 LEU 30 HD23 LEU 30 -4.540 -1.465 -7.347 237 H ARG 31 HN ARG 31 -2.292 -1.813 -6.047 238 HA ARG 31 HA ARG 31 -2.227 -3.391 -8.533 239 1HB ARG 31 HB2 ARG 31 -1.075 -3.967 -5.798 240 2HB ARG 31 HB1 ARG 31 -1.101 -5.119 -7.125 241 1HG ARG 31 HG2 ARG 31 0.322 -3.652 -8.443 242 2HG ARG 31 HG1 ARG 31 0.335 -2.473 -7.126 243 1HD ARG 31 HD2 ARG 31 1.422 -4.052 -5.668 244 2HD ARG 31 HD1 ARG 31 1.300 -5.326 -6.888 245 HE ARG 31 HE ARG 31 2.972 -2.903 -7.177 246 1HH1 ARG 31 HH11 ARG 31 2.307 -6.271 -7.815 247 2HH1 ARG 31 HH12 ARG 31 3.859 -6.581 -8.545 248 1HH2 ARG 31 HH21 ARG 31 5.014 -3.276 -8.148 249 2HH2 ARG 31 HH22 ARG 31 5.412 -4.875 -8.699 250 H SER 32 HN SER 32 -4.158 -4.307 -8.879 251 HA SER 32 HA SER 32 -6.210 -4.602 -7.007 252 1HB SER 32 HB2 SER 32 -6.748 -4.616 -9.334 253 2HB SER 32 HB1 SER 32 -5.696 -6.002 -9.636 254 HG SER 32 HG SER 32 -8.285 -5.965 -8.947 255 H TYR 33 HN TYR 33 -7.018 -6.346 -5.854 256 HA TYR 33 HA TYR 33 -5.013 -7.815 -4.491 257 1HB TYR 33 HB2 TYR 33 -7.995 -8.291 -4.406 258 2HB TYR 33 HB1 TYR 33 -6.821 -8.771 -3.194 259 HD1 TYR 33 HD1 TYR 33 -9.336 -6.546 -3.857 260 HD2 TYR 33 HD2 TYR 33 -5.369 -6.590 -2.320 261 HE1 TYR 33 HE1 TYR 33 -9.797 -4.478 -2.620 262 HE2 TYR 33 HE2 TYR 33 -5.818 -4.520 -1.082 263 HH TYR 33 HH TYR 33 -7.384 -2.593 -1.252 264 H GLN 34 HN GLN 34 -6.577 -8.493 -7.390 265 HA GLN 34 HA GLN 34 -6.973 -11.319 -6.962 266 1HB GLN 34 HB2 GLN 34 -7.191 -9.747 -9.522 267 2HB GLN 34 HB1 GLN 34 -7.879 -11.336 -9.198 268 1HG GLN 34 HG2 GLN 34 -9.336 -10.348 -7.493 269 2HG GLN 34 HG1 GLN 34 -8.658 -8.760 -7.847 270 1HE2 GLN 34 HE21 GLN 34 -10.794 -11.271 -8.889 271 2HE2 GLN 34 HE22 GLN 34 -11.533 -10.383 -10.186 272 H ASP 35 HN ASP 35 -4.547 -9.286 -8.398 273 HA ASP 35 HA ASP 35 -3.337 -11.282 -10.026 274 1HB ASP 35 HB2 ASP 35 -2.995 -8.893 -10.456 275 2HB ASP 35 HB1 ASP 35 -2.130 -8.738 -8.932 276 HA PRO 36 HA PRO 36 -1.379 -13.710 -6.931 277 1HB PRO 36 HB2 PRO 36 0.442 -14.611 -9.060 278 2HB PRO 36 HB1 PRO 36 -0.726 -15.532 -8.110 279 1HG PRO 36 HG2 PRO 36 -1.158 -14.990 -10.695 280 2HG PRO 36 HG1 PRO 36 -2.485 -15.008 -9.518 281 1HD PRO 36 HD2 PRO 36 -1.016 -12.665 -10.674 282 2HD PRO 36 HD1 PRO 36 -2.760 -12.884 -10.413 283 H SER 37 HN SER 37 0.380 -11.235 -8.618 284 HA SER 37 HA SER 37 2.852 -11.850 -7.181 285 1HB SER 37 HB2 SER 37 2.910 -11.008 -9.546 286 2HB SER 37 HB1 SER 37 2.220 -9.488 -8.975 287 HG SER 37 HG SER 37 4.286 -9.017 -8.806 288 H ASN 38 HN ASN 38 0.096 -9.803 -7.160 289 HA ASN 38 HA ASN 38 1.025 -8.034 -5.094 290 1HB ASN 38 HB2 ASN 38 -1.823 -8.519 -5.980 291 2HB ASN 38 HB1 ASN 38 -1.185 -7.093 -5.167 292 1HD2 ASN 38 HD21 ASN 38 -2.625 -7.164 -7.618 293 2HD2 ASN 38 HD22 ASN 38 -1.577 -6.550 -8.858 294 H ALA 39 HN ALA 39 -0.598 -11.067 -5.338 295 HA ALA 39 HA ALA 39 -1.701 -11.329 -2.792 296 1HB ALA 39 HB1 ALA 39 -1.512 -13.736 -3.118 297 2HB ALA 39 HB2 ALA 39 -0.392 -13.472 -4.456 298 3HB ALA 39 HB3 ALA 39 -2.069 -12.943 -4.591 299 H GLN 40 HN GLN 40 1.615 -11.431 -3.839 300 HA GLN 40 HA GLN 40 2.853 -12.587 -1.626 301 1HB GLN 40 HB2 GLN 40 4.110 -12.074 -3.621 302 2HB GLN 40 HB1 GLN 40 3.761 -10.361 -3.462 303 1HG GLN 40 HG2 GLN 40 5.178 -11.597 -1.194 304 2HG GLN 40 HG1 GLN 40 6.068 -11.514 -2.712 305 1HE2 GLN 40 HE21 GLN 40 4.688 -9.712 -0.099 306 2HE2 GLN 40 HE22 GLN 40 5.359 -8.175 -0.537 307 H PHE 41 HN PHE 41 2.021 -9.188 -2.230 308 HA PHE 41 HA PHE 41 2.859 -8.197 0.277 309 1HB PHE 41 HB2 PHE 41 0.721 -7.171 -1.606 310 2HB PHE 41 HB1 PHE 41 1.338 -6.286 -0.217 311 HD1 PHE 41 HD1 PHE 41 3.689 -5.504 -0.209 312 HD2 PHE 41 HD2 PHE 41 1.893 -7.222 -3.665 313 HE1 PHE 41 HE1 PHE 41 5.433 -4.494 -1.620 314 HE2 PHE 41 HE2 PHE 41 3.636 -6.223 -5.075 315 HZ PHE 41 HZ PHE 41 5.408 -4.856 -4.056 316 H LEU 42 HN LEU 42 -0.341 -9.129 -0.936 317 HA LEU 42 HA LEU 42 -1.834 -8.589 1.321 318 1HB LEU 42 HB2 LEU 42 -2.179 -10.707 -0.789 319 2HB LEU 42 HB1 LEU 42 -3.375 -10.405 0.457 320 HG LEU 42 HG LEU 42 -2.450 -8.381 -1.579 321 1HD1 LEU 42 HD11 LEU 42 -3.708 -10.170 -2.630 322 2HD1 LEU 42 HD12 LEU 42 -4.667 -8.692 -2.574 323 3HD1 LEU 42 HD13 LEU 42 -4.990 -9.997 -1.432 324 1HD2 LEU 42 HD21 LEU 42 -4.654 -8.289 0.475 325 2HD2 LEU 42 HD22 LEU 42 -4.358 -7.071 -0.765 326 3HD2 LEU 42 HD23 LEU 42 -3.161 -7.351 0.501 327 H GLU 43 HN GLU 43 0.035 -11.496 0.564 328 HA GLU 43 HA GLU 43 -0.936 -13.013 2.767 329 1HB GLU 43 HB2 GLU 43 0.161 -13.914 0.667 330 2HB GLU 43 HB1 GLU 43 1.699 -13.408 1.354 331 1HG GLU 43 HG2 GLU 43 1.383 -15.735 1.790 332 2HG GLU 43 HG1 GLU 43 1.248 -14.852 3.312 333 H SER 44 HN SER 44 2.142 -11.285 2.216 334 HA SER 44 HA SER 44 3.262 -11.831 4.721 335 1HB SER 44 HB2 SER 44 3.701 -9.465 2.890 336 2HB SER 44 HB1 SER 44 4.770 -9.946 4.207 337 HG SER 44 HG SER 44 4.832 -12.051 3.013 338 H ILE 45 HN ILE 45 1.297 -9.108 3.576 339 HA ILE 45 HA ILE 45 1.521 -7.613 6.003 340 HB ILE 45 HB ILE 45 -0.499 -7.353 3.763 341 1HG1 ILE 45 HG12 ILE 45 2.057 -5.805 4.227 342 2HG1 ILE 45 HG11 ILE 45 1.918 -7.157 3.108 343 1HG2 ILE 45 HG21 ILE 45 -1.248 -6.227 5.790 344 2HG2 ILE 45 HG22 ILE 45 -0.778 -5.052 4.561 345 3HG2 ILE 45 HG23 ILE 45 0.300 -5.394 5.914 346 1HD1 ILE 45 HD11 ILE 45 0.392 -4.569 2.942 347 2HD1 ILE 45 HD12 ILE 45 0.265 -5.923 1.818 348 3HD1 ILE 45 HD13 ILE 45 1.779 -5.033 1.954 349 H ARG 46 HN ARG 46 -0.654 -10.009 4.757 350 HA ARG 46 HA ARG 46 -2.766 -9.836 6.587 351 1HB ARG 46 HB2 ARG 46 -2.683 -11.231 4.518 352 2HB ARG 46 HB1 ARG 46 -1.576 -12.317 5.336 353 1HG ARG 46 HG2 ARG 46 -3.321 -12.833 6.977 354 2HG ARG 46 HG1 ARG 46 -4.433 -11.775 6.097 355 1HD ARG 46 HD2 ARG 46 -3.970 -13.166 4.059 356 2HD ARG 46 HD1 ARG 46 -3.113 -14.295 5.105 357 HE ARG 46 HE ARG 46 -5.706 -13.821 6.124 358 1HH1 ARG 46 HH11 ARG 46 -4.057 -15.474 3.507 359 2HH1 ARG 46 HH12 ARG 46 -5.321 -16.642 3.288 360 1HH2 ARG 46 HH21 ARG 46 -7.366 -15.353 5.819 361 2HH2 ARG 46 HH22 ARG 46 -7.200 -16.577 4.595 362 H ARG 47 HN ARG 47 0.239 -11.716 6.673 363 HA ARG 47 HA ARG 47 -0.237 -12.781 9.279 364 1HB ARG 47 HB2 ARG 47 2.396 -12.590 7.812 365 2HB ARG 47 HB1 ARG 47 1.992 -13.693 9.119 366 1HG ARG 47 HG2 ARG 47 0.845 -13.706 6.335 367 2HG ARG 47 HG1 ARG 47 1.987 -14.865 7.018 368 1HD ARG 47 HD2 ARG 47 -0.814 -14.384 8.018 369 2HD ARG 47 HD1 ARG 47 -0.324 -15.716 6.969 370 HE ARG 47 HE ARG 47 1.331 -15.939 9.118 371 1HH1 ARG 47 HH11 ARG 47 -2.150 -15.689 8.788 372 2HH1 ARG 47 HH12 ARG 47 -2.477 -16.723 10.138 373 1HH2 ARG 47 HH21 ARG 47 0.893 -17.282 10.923 374 2HH2 ARG 47 HH22 ARG 47 -0.763 -17.613 11.365 375 H GLY 48 HN GLY 48 1.311 -9.941 8.010 376 1HA GLY 48 HA2 GLY 48 1.662 -8.013 9.413 377 2HA GLY 48 HA1 GLY 48 1.982 -9.103 10.757 378 H GLU 49 HN GLU 49 3.356 -10.294 7.989 379 HA GLU 49 HA GLU 49 6.021 -9.636 8.910 380 1HB GLU 49 HB2 GLU 49 5.098 -11.350 6.599 381 2HB GLU 49 HB1 GLU 49 6.757 -11.199 7.164 382 1HG GLU 49 HG2 GLU 49 6.124 -12.159 9.310 383 2HG GLU 49 HG1 GLU 49 4.456 -12.307 8.756 384 H VAL 50 HN VAL 50 7.657 -9.119 7.146 385 HA VAL 50 HA VAL 50 6.700 -6.735 5.824 386 HB VAL 50 HB VAL 50 8.708 -6.518 7.119 387 1HG1 VAL 50 HG11 VAL 50 10.806 -7.661 6.443 388 2HG1 VAL 50 HG12 VAL 50 9.854 -8.673 5.359 389 3HG1 VAL 50 HG13 VAL 50 9.581 -8.743 7.099 390 1HG2 VAL 50 HG21 VAL 50 10.202 -5.544 5.445 391 2HG2 VAL 50 HG22 VAL 50 8.516 -5.141 5.120 392 3HG2 VAL 50 HG23 VAL 50 9.322 -6.389 4.170 393 HA PRO 51 HA PRO 51 6.473 -8.740 1.770 394 1HB PRO 51 HB2 PRO 51 6.225 -5.853 1.070 395 2HB PRO 51 HB1 PRO 51 5.223 -7.217 0.570 396 1HG PRO 51 HG2 PRO 51 4.344 -5.482 2.344 397 2HG PRO 51 HG1 PRO 51 4.015 -7.215 2.531 398 1HD PRO 51 HD2 PRO 51 6.018 -5.491 3.938 399 2HD PRO 51 HD1 PRO 51 5.007 -6.792 4.600 400 H ALA 52 HN ALA 52 8.149 -9.150 0.460 401 HA ALA 52 HA ALA 52 10.730 -8.282 1.089 402 1HB ALA 52 HB1 ALA 52 10.221 -10.435 0.042 403 2HB ALA 52 HB2 ALA 52 11.440 -9.538 -0.863 404 3HB ALA 52 HB3 ALA 52 9.777 -9.603 -1.449 405 H GLU 53 HN GLU 53 8.427 -7.040 -1.233 406 HA GLU 53 HA GLU 53 10.210 -5.605 -2.860 407 1HB GLU 53 HB2 GLU 53 7.319 -5.068 -2.184 408 2HB GLU 53 HB1 GLU 53 8.207 -4.245 -3.458 409 1HG GLU 53 HG2 GLU 53 7.749 -7.216 -3.332 410 2HG GLU 53 HG1 GLU 53 6.773 -6.085 -4.268 411 H LEU 54 HN LEU 54 9.042 -4.970 0.344 412 HA LEU 54 HA LEU 54 9.718 -2.136 0.213 413 1HB LEU 54 HB2 LEU 54 9.156 -3.458 2.817 414 2HB LEU 54 HB1 LEU 54 8.661 -1.883 2.230 415 HG LEU 54 HG LEU 54 7.419 -4.504 1.434 416 1HD1 LEU 54 HD11 LEU 54 6.419 -2.281 3.208 417 2HD1 LEU 54 HD12 LEU 54 6.999 -3.853 3.758 418 3HD1 LEU 54 HD13 LEU 54 5.537 -3.748 2.773 419 1HD2 LEU 54 HD21 LEU 54 6.703 -1.655 0.769 420 2HD2 LEU 54 HD22 LEU 54 5.711 -3.070 0.396 421 3HD2 LEU 54 HD23 LEU 54 7.296 -2.878 -0.356 422 H ARG 55 HN ARG 55 10.765 -5.139 1.642 423 HA ARG 55 HA ARG 55 12.981 -4.134 3.082 424 1HB ARG 55 HB2 ARG 55 11.702 -6.460 3.123 425 2HB ARG 55 HB1 ARG 55 12.955 -6.912 1.982 426 1HG ARG 55 HG2 ARG 55 13.322 -5.994 4.841 427 2HG ARG 55 HG1 ARG 55 13.649 -7.598 4.159 428 1HD ARG 55 HD2 ARG 55 15.754 -6.694 4.219 429 2HD ARG 55 HD1 ARG 55 15.228 -6.235 2.594 430 HE ARG 55 HE ARG 55 15.391 -4.073 3.207 431 1HH1 ARG 55 HH11 ARG 55 15.143 -5.966 6.145 432 2HH1 ARG 55 HH12 ARG 55 14.922 -4.578 7.173 433 1HH2 ARG 55 HH21 ARG 55 15.059 -2.251 4.558 434 2HH2 ARG 55 HH22 ARG 55 14.844 -2.480 6.269 435 H ARG 56 HN ARG 56 12.641 -5.526 -0.177 436 HA ARG 56 HA ARG 56 15.425 -5.037 -0.756 437 1HB ARG 56 HB2 ARG 56 13.243 -5.839 -2.687 438 2HB ARG 56 HB1 ARG 56 14.978 -5.977 -2.937 439 1HG ARG 56 HG2 ARG 56 13.329 -7.512 -0.940 440 2HG ARG 56 HG1 ARG 56 14.021 -8.138 -2.436 441 1HD ARG 56 HD2 ARG 56 16.227 -7.950 -1.605 442 2HD ARG 56 HD1 ARG 56 15.707 -6.958 -0.242 443 HE ARG 56 HE ARG 56 14.417 -9.467 -0.137 444 1HH1 ARG 56 HH11 ARG 56 17.634 -8.112 0.258 445 2HH1 ARG 56 HH12 ARG 56 18.081 -9.255 1.499 446 1HH2 ARG 56 HH21 ARG 56 15.002 -10.932 1.457 447 2HH2 ARG 56 HH22 ARG 56 16.583 -10.864 2.179 448 H LEU 57 HN LEU 57 14.181 -2.762 0.060 449 HA LEU 57 HA LEU 57 14.528 -1.084 -2.312 450 1HB LEU 57 HB2 LEU 57 12.072 -1.368 -1.656 451 2HB LEU 57 HB1 LEU 57 12.469 -0.528 -0.173 452 HG LEU 57 HG LEU 57 11.375 0.870 -1.955 453 1HD1 LEU 57 HD11 LEU 57 12.600 1.930 -0.153 454 2HD1 LEU 57 HD12 LEU 57 12.850 2.803 -1.665 455 3HD1 LEU 57 HD13 LEU 57 14.112 1.739 -1.044 456 1HD2 LEU 57 HD21 LEU 57 12.740 1.638 -3.819 457 2HD2 LEU 57 HD22 LEU 57 12.499 -0.109 -3.882 458 3HD2 LEU 57 HD23 LEU 57 14.039 0.549 -3.326 459 H ALA 58 HN ALA 58 13.967 -0.872 1.210 460 HA ALA 58 HA ALA 58 16.099 1.011 1.597 461 1HB ALA 58 HB1 ALA 58 15.810 0.229 4.057 462 2HB ALA 58 HB2 ALA 58 14.356 -0.570 3.445 463 3HB ALA 58 HB3 ALA 58 14.541 1.187 3.297 464 H HIS 59 HN HIS 59 18.155 0.643 2.365 465 HA HIS 59 HA HIS 59 19.536 -1.430 1.295 466 1HB HIS 59 HB2 HIS 59 20.282 0.782 2.622 467 2HB HIS 59 HB1 HIS 59 20.672 -0.437 3.836 468 HD1 HIS 59 HD1 HIS 59 23.212 -0.390 3.588 469 HD2 HIS 59 HD2 HIS 59 21.187 -0.976 0.006 470 HE1 HIS 59 HE1 HIS 59 24.984 -1.016 1.908 471 HE2 HIS 59 HE2 HIS 59 23.754 -1.228 -0.292 472 H GLY 60 HN GLY 60 18.535 -1.299 4.718 473 1HA GLY 60 HA2 GLY 60 17.497 -3.792 4.893 474 2HA GLY 60 HA1 GLY 60 19.225 -4.080 5.073 475 H GLY 61 HN GLY 61 16.671 -1.964 6.377 476 1HA GLY 61 HA2 GLY 61 17.155 -3.153 8.947 477 2HA GLY 61 HA1 GLY 61 17.471 -1.424 8.876 478 H GLN 62 HN GLN 62 15.838 -0.346 9.706 479 HA GLN 62 HA GLN 62 13.384 -1.387 10.386 480 1HB GLN 62 HB2 GLN 62 14.271 0.578 11.396 481 2HB GLN 62 HB1 GLN 62 14.300 1.419 9.861 482 1HG GLN 62 HG2 GLN 62 11.884 1.497 9.810 483 2HG GLN 62 HG1 GLN 62 11.795 0.501 11.265 484 1HE2 GLN 62 HE21 GLN 62 12.425 1.398 13.250 485 2HE2 GLN 62 HE22 GLN 62 12.444 3.118 13.490 486 H VAL 63 HN VAL 63 11.788 -2.081 9.171 487 HA VAL 63 HA VAL 63 11.150 -0.633 6.702 488 HB VAL 63 HB VAL 63 12.427 -2.529 5.951 489 1HG1 VAL 63 HG11 VAL 63 12.301 -3.919 7.937 490 2HG1 VAL 63 HG12 VAL 63 11.833 -4.842 6.508 491 3HG1 VAL 63 HG13 VAL 63 10.599 -4.254 7.622 492 1HG2 VAL 63 HG21 VAL 63 10.746 -3.754 4.619 493 2HG2 VAL 63 HG22 VAL 63 10.499 -2.007 4.595 494 3HG2 VAL 63 HG23 VAL 63 9.470 -3.031 5.600 495 H ASN 64 HN ASN 64 9.221 0.231 7.190 496 HA ASN 64 HA ASN 64 7.196 -1.554 8.351 497 1HB ASN 64 HB2 ASN 64 8.233 0.186 9.929 498 2HB ASN 64 HB1 ASN 64 7.345 1.377 8.991 499 1HD2 ASN 64 HD21 ASN 64 6.151 -1.867 9.604 500 2HD2 ASN 64 HD22 ASN 64 4.841 -1.384 10.642 501 H LEU 65 HN LEU 65 4.980 -0.735 8.048 502 HA LEU 65 HA LEU 65 4.645 0.700 5.523 503 1HB LEU 65 HB2 LEU 65 4.729 -1.592 4.887 504 2HB LEU 65 HB1 LEU 65 3.682 -2.074 6.203 505 HG LEU 65 HG LEU 65 2.585 -0.265 4.099 506 1HD1 LEU 65 HD11 LEU 65 3.756 -1.925 2.797 507 2HD1 LEU 65 HD12 LEU 65 2.029 -2.284 2.755 508 3HD1 LEU 65 HD13 LEU 65 3.105 -3.227 3.793 509 1HD2 LEU 65 HD21 LEU 65 0.557 -1.539 4.562 510 2HD2 LEU 65 HD22 LEU 65 1.233 -0.899 6.060 511 3HD2 LEU 65 HD23 LEU 65 1.454 -2.600 5.648 512 H ASP 66 HN ASP 66 2.977 2.062 5.534 513 HA ASP 66 HA ASP 66 1.234 2.100 7.909 514 1HB ASP 66 HB2 ASP 66 2.758 4.107 6.977 515 2HB ASP 66 HB1 ASP 66 1.326 4.381 5.989 516 H MET 67 HN MET 67 -1.099 2.969 7.326 517 HA MET 67 HA MET 67 -1.881 1.848 4.737 518 1HB MET 67 HB2 MET 67 -2.889 0.836 7.387 519 2HB MET 67 HB1 MET 67 -3.748 0.563 5.877 520 1HG MET 67 HG2 MET 67 -1.847 -0.641 4.976 521 2HG MET 67 HG1 MET 67 -0.922 -0.312 6.443 522 1HE MET 67 HE1 MET 67 -4.662 -1.421 5.836 523 2HE MET 67 HE2 MET 67 -4.541 -3.152 6.142 524 3HE MET 67 HE3 MET 67 -3.709 -2.440 4.757 525 H GLU 68 HN GLU 68 -3.687 2.586 3.853 526 HA GLU 68 HA GLU 68 -5.406 4.451 5.319 527 1HB GLU 68 HB2 GLU 68 -4.190 4.790 2.579 528 2HB GLU 68 HB1 GLU 68 -5.641 5.646 3.066 529 1HG GLU 68 HG2 GLU 68 -4.363 6.677 4.908 530 2HG GLU 68 HG1 GLU 68 -2.910 5.880 4.296 531 H ASP 69 HN ASP 69 -7.583 4.468 4.461 532 HA ASP 69 HA ASP 69 -8.168 2.040 2.897 533 1HB ASP 69 HB2 ASP 69 -8.675 1.760 5.273 534 2HB ASP 69 HB1 ASP 69 -9.691 3.187 5.230 535 H HIS 70 HN HIS 70 -8.700 2.785 0.948 536 HA HIS 70 HA HIS 70 -10.866 4.769 0.772 537 1HB HIS 70 HB2 HIS 70 -8.467 4.669 -1.081 538 2HB HIS 70 HB1 HIS 70 -9.818 5.785 -1.196 539 HD1 HIS 70 HD1 HIS 70 -9.694 7.910 0.160 540 HD2 HIS 70 HD2 HIS 70 -6.668 5.202 1.085 541 HE1 HIS 70 HE1 HIS 70 -8.041 9.181 1.565 542 HE2 HIS 70 HE2 HIS 70 -6.149 7.572 2.003 543 H ARG 71 HN ARG 71 -11.413 2.187 0.773 544 HA ARG 71 HA ARG 71 -11.118 1.020 -1.849 545 1HB ARG 71 HB2 ARG 71 -12.469 -0.126 0.593 546 2HB ARG 71 HB1 ARG 71 -12.004 -0.999 -0.865 547 1HG ARG 71 HG2 ARG 71 -9.681 -0.642 -0.414 548 2HG ARG 71 HG1 ARG 71 -10.062 0.396 0.959 549 1HD ARG 71 HD2 ARG 71 -9.436 -1.746 1.804 550 2HD ARG 71 HD1 ARG 71 -11.180 -1.562 2.024 551 HE ARG 71 HE ARG 71 -10.588 -2.875 -0.420 552 1HH1 ARG 71 HH11 ARG 71 -10.675 -3.395 3.047 553 2HH1 ARG 71 HH12 ARG 71 -11.001 -5.102 2.910 554 1HH2 ARG 71 HH21 ARG 71 -10.976 -5.121 -0.599 555 2HH2 ARG 71 HH22 ARG 71 -11.162 -6.087 0.831 556 H ASP 72 HN ASP 72 -12.401 2.889 -2.587 557 HA ASP 72 HA ASP 72 -14.979 2.284 -3.431 558 1HB ASP 72 HB2 ASP 72 -15.813 2.506 -1.216 559 2HB ASP 72 HB1 ASP 72 -14.790 3.897 -0.886 560 H GLU 73 HN GLU 73 -12.518 4.514 -2.574 561 HA GLU 73 HA GLU 73 -13.571 6.733 -4.059 562 1HB GLU 73 HB2 GLU 73 -11.336 6.213 -2.208 563 2HB GLU 73 HB1 GLU 73 -11.100 7.525 -3.347 564 1HG GLU 73 HG2 GLU 73 -13.456 8.287 -2.548 565 2HG GLU 73 HG1 GLU 73 -13.160 7.203 -1.192 566 H ASP 74 HN ASP 74 -11.621 4.078 -4.816 567 HA ASP 74 HA ASP 74 -10.319 3.489 -6.566 568 1HB ASP 74 HB2 ASP 74 -11.809 5.789 -7.752 569 2HB ASP 74 HB1 ASP 74 -10.418 5.150 -8.622 570 H PHE 75 HN PHE 75 -8.436 4.220 -7.925 571 HA PHE 75 HA PHE 75 -6.480 5.022 -6.106 572 1HB PHE 75 HB2 PHE 75 -6.196 3.568 -8.124 573 2HB PHE 75 HB1 PHE 75 -6.243 5.025 -9.108 574 HD1 PHE 75 HD1 PHE 75 -4.197 5.785 -9.827 575 HD2 PHE 75 HD2 PHE 75 -4.441 3.829 -6.063 576 HE1 PHE 75 HE1 PHE 75 -1.767 5.963 -9.581 577 HE2 PHE 75 HE2 PHE 75 -2.007 3.998 -5.802 578 HZ PHE 75 HZ PHE 75 -0.664 5.062 -7.575 579 H VAL 76 HN VAL 76 -6.260 6.971 -5.268 580 HA VAL 76 HA VAL 76 -6.270 9.302 -7.049 581 HB VAL 76 HB VAL 76 -7.681 9.345 -4.951 582 1HG1 VAL 76 HG11 VAL 76 -6.353 8.241 -3.359 583 2HG1 VAL 76 HG12 VAL 76 -6.424 9.925 -2.844 584 3HG1 VAL 76 HG13 VAL 76 -4.978 9.306 -3.644 585 1HG2 VAL 76 HG21 VAL 76 -5.547 11.454 -5.225 586 2HG2 VAL 76 HG22 VAL 76 -7.055 11.639 -4.331 587 3HG2 VAL 76 HG23 VAL 76 -7.092 11.402 -6.078 588 H LYS 77 HN LYS 77 -4.292 7.024 -6.139 589 HA LYS 77 HA LYS 77 -2.073 6.731 -6.430 590 1HB LYS 77 HB2 LYS 77 -1.745 9.732 -6.527 591 2HB LYS 77 HB1 LYS 77 -0.567 8.520 -7.018 592 1HG LYS 77 HG2 LYS 77 -2.700 7.825 -8.541 593 2HG LYS 77 HG1 LYS 77 -2.900 9.573 -8.445 594 1HD LYS 77 HD2 LYS 77 -1.583 8.883 -10.398 595 2HD LYS 77 HD1 LYS 77 -0.652 9.903 -9.295 596 1HE LYS 77 HE2 LYS 77 0.687 8.167 -8.613 597 2HE LYS 77 HE1 LYS 77 -0.529 6.941 -8.981 598 1HZ LYS 77 HZ1 LYS 77 -0.124 7.456 -11.373 599 2HZ LYS 77 HZ2 LYS 77 1.192 6.749 -10.578 600 3HZ LYS 77 HZ3 LYS 77 1.195 8.415 -10.905 601 HA PRO 78 HA PRO 78 -0.755 6.813 -2.232 602 1HB PRO 78 HB2 PRO 78 1.979 6.283 -3.181 603 2HB PRO 78 HB1 PRO 78 0.918 5.260 -2.205 604 1HG PRO 78 HG2 PRO 78 1.482 4.638 -4.745 605 2HG PRO 78 HG1 PRO 78 -0.138 4.360 -4.068 606 1HD PRO 78 HD2 PRO 78 0.828 6.639 -5.774 607 2HD PRO 78 HD1 PRO 78 -0.650 5.664 -5.945 608 H LYS 79 HN LYS 79 2.238 7.760 -3.820 609 HA LYS 79 HA LYS 79 3.394 9.694 -3.988 610 1HB LYS 79 HB2 LYS 79 0.801 11.080 -3.293 611 2HB LYS 79 HB1 LYS 79 2.181 11.773 -4.133 612 1HG LYS 79 HG2 LYS 79 0.639 9.430 -5.258 613 2HG LYS 79 HG1 LYS 79 0.156 11.101 -5.547 614 1HD LYS 79 HD2 LYS 79 1.469 10.386 -7.419 615 2HD LYS 79 HD1 LYS 79 2.435 11.530 -6.492 616 1HE LYS 79 HE2 LYS 79 3.656 9.692 -5.466 617 2HE LYS 79 HE1 LYS 79 2.664 8.526 -6.338 618 1HZ LYS 79 HZ1 LYS 79 4.871 8.951 -7.351 619 2HZ LYS 79 HZ2 LYS 79 4.388 10.549 -7.662 620 3HZ LYS 79 HZ3 LYS 79 3.574 9.256 -8.396 621 H GLY 80 HN GLY 80 1.147 10.746 -1.415 622 1HA GLY 80 HA2 GLY 80 1.716 10.528 0.922 623 2HA GLY 80 HA1 GLY 80 3.412 10.597 0.465 624 H ALA 81 HN ALA 81 0.541 12.381 1.120 625 HA ALA 81 HA ALA 81 0.205 14.479 1.898 626 1HB ALA 81 HB1 ALA 81 3.180 14.846 1.721 627 2HB ALA 81 HB2 ALA 81 2.299 14.233 3.120 628 3HB ALA 81 HB3 ALA 81 2.039 15.889 2.572 629 H PHE 82 HN PHE 82 2.388 14.213 -0.849 630 HA PHE 82 HA PHE 82 2.082 16.681 -2.029 631 1HB PHE 82 HB2 PHE 82 2.103 14.008 -3.450 632 2HB PHE 82 HB1 PHE 82 2.466 15.568 -4.184 633 HD1 PHE 82 HD1 PHE 82 3.888 12.695 -2.884 634 HD2 PHE 82 HD2 PHE 82 4.355 16.924 -2.839 635 HE1 PHE 82 HE1 PHE 82 6.253 12.422 -2.266 636 HE2 PHE 82 HE2 PHE 82 6.722 16.662 -2.223 637 HZ PHE 82 HZ PHE 82 7.674 14.408 -1.936 638 H LYS 83 HN LYS 83 -0.104 13.915 -2.148 639 HA LYS 83 HA LYS 83 -2.337 15.701 -2.427 640 1HB LYS 83 HB2 LYS 83 -3.280 14.513 -4.392 641 2HB LYS 83 HB1 LYS 83 -1.818 15.416 -4.767 642 1HG LYS 83 HG2 LYS 83 -0.512 13.433 -4.824 643 2HG LYS 83 HG1 LYS 83 -1.842 12.470 -4.179 644 1HD LYS 83 HD2 LYS 83 -1.697 12.049 -6.531 645 2HD LYS 83 HD1 LYS 83 -3.142 13.012 -6.242 646 1HE LYS 83 HE2 LYS 83 -0.516 14.218 -7.090 647 2HE LYS 83 HE1 LYS 83 -1.715 13.651 -8.246 648 1HZ LYS 83 HZ1 LYS 83 -1.935 15.896 -6.325 649 2HZ LYS 83 HZ2 LYS 83 -3.309 15.208 -7.039 650 3HZ LYS 83 HZ3 LYS 83 -2.117 15.927 -8.011 651 H ALA 84 HN ALA 84 -3.883 14.981 -1.163 652 HA ALA 84 HA ALA 84 -5.419 13.643 -0.193 653 1HB ALA 84 HB1 ALA 84 -5.799 12.906 -2.493 654 2HB ALA 84 HB2 ALA 84 -6.073 11.607 -1.330 655 3HB ALA 84 HB3 ALA 84 -4.589 11.640 -2.281 656 H PHE 85 HN PHE 85 -3.149 13.741 1.236 657 HA PHE 85 HA PHE 85 -2.578 11.000 2.053 658 1HB PHE 85 HB2 PHE 85 -0.783 12.789 2.023 659 2HB PHE 85 HB1 PHE 85 -1.622 13.554 3.369 660 HD1 PHE 85 HD1 PHE 85 -0.253 10.227 2.386 661 HD2 PHE 85 HD2 PHE 85 -0.933 13.045 5.501 662 HE1 PHE 85 HE1 PHE 85 0.965 8.780 3.957 663 HE2 PHE 85 HE2 PHE 85 0.286 11.604 7.075 664 HZ PHE 85 HZ PHE 85 1.238 9.469 6.305 665 H THR 86 HN THR 86 -5.043 11.013 2.333 666 HA THR 86 HA THR 86 -5.792 12.113 4.950 667 HB THR 86 HB THR 86 -7.038 13.287 3.315 668 HG1 THR 86 HG1 THR 86 -8.615 11.209 4.454 669 1HG2 THR 86 HG21 THR 86 -6.678 11.835 1.396 670 2HG2 THR 86 HG22 THR 86 -8.393 12.200 1.575 671 3HG2 THR 86 HG23 THR 86 -7.770 10.630 2.077 672 H GLY 87 HN GLY 87 -4.859 10.061 5.746 673 1HA GLY 87 HA2 GLY 87 -6.449 7.671 5.318 674 2HA GLY 87 HA1 GLY 87 -5.075 7.833 6.405 675 H GLU 88 HN GLU 88 -5.799 9.917 7.962 676 HA GLU 88 HA GLU 88 -7.942 8.783 9.550 677 1HB GLU 88 HB2 GLU 88 -5.802 9.521 10.587 678 2HB GLU 88 HB1 GLU 88 -6.167 11.170 10.103 679 1HG GLU 88 HG2 GLU 88 -8.040 11.266 11.568 680 2HG GLU 88 HG1 GLU 88 -7.926 9.540 11.916 681 H GLY 89 HN GLY 89 -9.763 9.236 8.342 682 1HA GLY 89 HA2 GLY 89 -11.466 11.158 8.637 683 2HA GLY 89 HA1 GLY 89 -10.296 12.043 7.663 684 H GLN 90 HN GLN 90 -12.252 9.080 7.669 685 HA GLN 90 HA GLN 90 -12.230 9.104 4.731 686 1HB GLN 90 HB2 GLN 90 -13.136 6.952 6.658 687 2HB GLN 90 HB1 GLN 90 -13.143 6.815 4.906 688 1HG GLN 90 HG2 GLN 90 -10.751 7.072 6.704 689 2HG GLN 90 HG1 GLN 90 -11.238 5.667 5.759 690 1HE2 GLN 90 HE21 GLN 90 -8.748 7.140 5.741 691 2HE2 GLN 90 HE22 GLN 90 -8.522 7.696 4.119 692 H LYS 91 HN LYS 91 -14.313 8.362 3.724 693 HA LYS 91 HA LYS 91 -16.341 10.250 4.394 694 1HB LYS 91 HB2 LYS 91 -15.866 9.702 2.073 695 2HB LYS 91 HB1 LYS 91 -16.275 8.016 2.359 696 1HG LYS 91 HG2 LYS 91 -18.594 8.722 2.888 697 2HG LYS 91 HG1 LYS 91 -18.150 10.369 2.434 698 1HD LYS 91 HD2 LYS 91 -19.244 9.234 0.579 699 2HD LYS 91 HD1 LYS 91 -17.560 9.583 0.187 700 1HE LYS 91 HE2 LYS 91 -16.962 7.270 0.761 701 2HE LYS 91 HE1 LYS 91 -18.655 6.929 1.118 702 1HZ LYS 91 HZ1 LYS 91 -17.903 6.222 -1.130 703 2HZ LYS 91 HZ2 LYS 91 -17.684 7.852 -1.531 704 3HZ LYS 91 HZ3 LYS 91 -19.234 7.278 -1.149 705 H LEU 92 HN LEU 92 -17.459 9.855 6.234 706 HA LEU 92 HA LEU 92 -18.536 7.194 6.725 707 1HB LEU 92 HB2 LEU 92 -17.677 9.075 8.449 708 2HB LEU 92 HB1 LEU 92 -19.368 9.521 8.375 709 HG LEU 92 HG LEU 92 -18.869 8.047 10.280 710 1HD1 LEU 92 HD11 LEU 92 -21.108 8.011 9.347 711 2HD1 LEU 92 HD12 LEU 92 -20.646 6.409 9.923 712 3HD1 LEU 92 HD13 LEU 92 -20.626 6.766 8.197 713 1HD2 LEU 92 HD21 LEU 92 -17.043 6.771 9.291 714 2HD2 LEU 92 HD22 LEU 92 -18.173 6.003 8.174 715 3HD2 LEU 92 HD23 LEU 92 -18.301 5.701 9.908 716 H GLY 93 HN GLY 93 -19.547 7.588 4.517 717 1HA GLY 93 HA2 GLY 93 -22.305 8.479 4.954 718 2HA GLY 93 HA1 GLY 93 -21.416 9.130 3.580 719 H SER 94 HN SER 94 -23.736 7.735 3.156 720 HA SER 94 HA SER 94 -24.667 5.977 2.053 721 1HB SER 94 HB2 SER 94 -21.818 5.470 1.139 722 2HB SER 94 HB1 SER 94 -23.271 4.794 0.405 723 HG SER 94 HG SER 94 -23.900 6.847 -0.218 724 H THR 95 HN THR 95 -24.481 5.470 4.595 725 HA THR 95 HA THR 95 -22.838 3.224 5.270 726 HB THR 95 HB THR 95 -24.248 3.284 7.407 727 HG1 THR 95 HG1 THR 95 -25.940 4.571 6.181 728 1HG2 THR 95 HG21 THR 95 -23.093 5.298 8.228 729 2HG2 THR 95 HG22 THR 95 -22.717 5.749 6.564 730 3HG2 THR 95 HG23 THR 95 -22.026 4.282 7.259 731 H ALA 96 HN ALA 96 -23.630 1.838 3.533 732 HA ALA 96 HA ALA 96 -25.995 0.331 4.430 733 1HB ALA 96 HB1 ALA 96 -26.496 -0.198 2.092 734 2HB ALA 96 HB2 ALA 96 -25.147 0.813 1.574 735 3HB ALA 96 HB3 ALA 96 -26.538 1.544 2.377 736 HA PRO 97 HA PRO 97 -22.520 -2.591 4.903 737 1HB PRO 97 HB2 PRO 97 -24.828 -4.136 5.980 738 2HB PRO 97 HB1 PRO 97 -23.223 -3.880 6.676 739 1HG PRO 97 HG2 PRO 97 -25.325 -2.587 7.653 740 2HG PRO 97 HG1 PRO 97 -23.760 -1.768 7.479 741 1HD PRO 97 HD2 PRO 97 -26.209 -1.561 5.779 742 2HD PRO 97 HD1 PRO 97 -25.071 -0.293 6.276 743 H GLN 98 HN GLN 98 -25.817 -3.675 4.070 744 HA GLN 98 HA GLN 98 -26.650 -4.913 2.379 745 1HB GLN 98 HB2 GLN 98 -24.259 -3.662 1.080 746 2HB GLN 98 HB1 GLN 98 -25.224 -4.841 0.199 747 1HG GLN 98 HG2 GLN 98 -26.318 -2.336 1.454 748 2HG GLN 98 HG1 GLN 98 -25.866 -2.503 -0.244 749 1HE2 GLN 98 HE21 GLN 98 -28.468 -1.954 1.016 750 2HE2 GLN 98 HE22 GLN 98 -29.536 -3.176 0.422 751 H VAL 99 HN VAL 99 -26.040 -6.662 0.671 752 HA VAL 99 HA VAL 99 -24.566 -8.728 2.088 753 HB VAL 99 HB VAL 99 -26.758 -9.293 1.134 754 1HG1 VAL 99 HG11 VAL 99 -25.477 -8.735 -1.536 755 2HG1 VAL 99 HG12 VAL 99 -26.781 -7.816 -0.783 756 3HG1 VAL 99 HG13 VAL 99 -27.057 -9.481 -1.296 757 1HG2 VAL 99 HG21 VAL 99 -25.097 -11.057 1.398 758 2HG2 VAL 99 HG22 VAL 99 -24.490 -10.741 -0.228 759 3HG2 VAL 99 HG23 VAL 99 -26.128 -11.360 -0.003 760 H LEU 100 HN LEU 100 -24.259 -6.638 -0.659 761 HA LEU 100 HA LEU 100 -21.519 -7.524 -1.040 762 1HB LEU 100 HB2 LEU 100 -23.652 -7.675 -3.125 763 2HB LEU 100 HB1 LEU 100 -21.991 -7.340 -3.589 764 HG LEU 100 HG LEU 100 -22.803 -9.749 -1.971 765 1HD1 LEU 100 HD11 LEU 100 -23.898 -9.867 -4.144 766 2HD1 LEU 100 HD12 LEU 100 -22.577 -11.033 -4.054 767 3HD1 LEU 100 HD13 LEU 100 -22.366 -9.530 -4.949 768 1HD2 LEU 100 HD21 LEU 100 -20.295 -9.072 -3.494 769 2HD2 LEU 100 HD22 LEU 100 -20.613 -10.598 -2.673 770 3HD2 LEU 100 HD23 LEU 100 -20.475 -9.109 -1.740 771 H SER 101 HN SER 101 -20.190 -5.866 -1.424 772 HA SER 101 HA SER 101 -19.384 -3.834 -2.002 773 1HB SER 101 HB2 SER 101 -21.880 -3.709 -3.710 774 2HB SER 101 HB1 SER 101 -20.510 -2.605 -3.833 775 HG SER 101 HG SER 101 -19.533 -5.053 -3.917 776 H THR 102 HN THR 102 -20.744 -1.433 -2.576 777 HA THR 102 HA THR 102 -22.450 -0.790 -0.337 778 HB THR 102 HB THR 102 -19.729 0.536 -0.515 779 HG1 THR 102 HG1 THR 102 -20.659 -1.668 0.945 780 1HG2 THR 102 HG21 THR 102 -21.528 1.967 0.368 781 2HG2 THR 102 HG22 THR 102 -20.354 1.560 1.620 782 3HG2 THR 102 HG23 THR 102 -21.913 0.736 1.569 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -21.325 -8.474 -6.667 2 2H GLY 1 HT2 GLY 1 -22.494 -8.324 -5.450 3 3H GLY 1 HT3 GLY 1 -21.255 -7.175 -5.580 4 1HA GLY 1 HA1 GLY 1 -22.103 -6.468 -7.731 5 2HA GLY 1 HA2 GLY 1 -23.395 -7.651 -7.580 6 H SER 2 HN SER 2 -24.714 -5.698 -7.909 7 HA SER 2 HA SER 2 -26.203 -4.166 -7.167 8 1HB SER 2 HB2 SER 2 -26.581 -5.920 -5.384 9 2HB SER 2 HB1 SER 2 -25.473 -5.014 -4.354 10 HG SER 2 HG SER 2 -28.014 -4.253 -5.343 11 H GLU 3 HN GLU 3 -26.291 -2.349 -5.168 12 HA GLU 3 HA GLU 3 -23.699 -0.976 -5.179 13 1HB GLU 3 HB2 GLU 3 -25.003 -0.170 -7.135 14 2HB GLU 3 HB1 GLU 3 -26.299 0.311 -6.050 15 1HG GLU 3 HG2 GLU 3 -24.715 1.856 -4.931 16 2HG GLU 3 HG1 GLU 3 -23.511 1.437 -6.148 17 H LYS 4 HN LYS 4 -23.393 0.461 -3.482 18 HA LYS 4 HA LYS 4 -23.631 1.358 -1.411 19 1HB LYS 4 HB2 LYS 4 -25.498 2.550 -2.609 20 2HB LYS 4 HB1 LYS 4 -26.600 1.329 -1.993 21 1HG LYS 4 HG2 LYS 4 -25.869 2.006 0.323 22 2HG LYS 4 HG1 LYS 4 -25.056 3.380 -0.432 23 1HD LYS 4 HD2 LYS 4 -27.259 4.043 0.348 24 2HD LYS 4 HD1 LYS 4 -27.209 4.078 -1.417 25 1HE LYS 4 HE2 LYS 4 -28.268 1.851 -1.460 26 2HE LYS 4 HE1 LYS 4 -28.369 1.884 0.299 27 1HZ LYS 4 HZ1 LYS 4 -29.695 3.792 -1.553 28 2HZ LYS 4 HZ2 LYS 4 -29.787 3.838 0.139 29 3HZ LYS 4 HZ3 LYS 4 -30.457 2.533 -0.712 30 H ARG 5 HN ARG 5 -23.188 -1.225 -1.264 31 HA ARG 5 HA ARG 5 -24.867 -2.060 0.983 32 1HB ARG 5 HB2 ARG 5 -24.013 -3.590 -1.415 33 2HB ARG 5 HB1 ARG 5 -24.117 -4.451 0.118 34 1HG ARG 5 HG2 ARG 5 -26.339 -2.960 -1.268 35 2HG ARG 5 HG1 ARG 5 -26.176 -4.710 -1.109 36 1HD ARG 5 HD2 ARG 5 -26.598 -2.726 1.129 37 2HD ARG 5 HD1 ARG 5 -27.774 -3.887 0.517 38 HE ARG 5 HE ARG 5 -26.218 -5.652 1.338 39 1HH1 ARG 5 HH11 ARG 5 -26.213 -2.440 2.756 40 2HH1 ARG 5 HH12 ARG 5 -25.470 -2.962 4.240 41 1HH2 ARG 5 HH21 ARG 5 -25.249 -6.337 3.297 42 2HH2 ARG 5 HH22 ARG 5 -24.929 -5.172 4.553 43 H GLN 6 HN GLN 6 -23.641 -4.006 2.103 44 HA GLN 6 HA GLN 6 -21.951 -4.642 3.464 45 1HB GLN 6 HB2 GLN 6 -20.190 -3.321 1.387 46 2HB GLN 6 HB1 GLN 6 -19.616 -4.346 2.695 47 1HG GLN 6 HG2 GLN 6 -21.486 -5.221 0.503 48 2HG GLN 6 HG1 GLN 6 -19.751 -5.529 0.548 49 1HE2 GLN 6 HE21 GLN 6 -18.932 -7.020 1.986 50 2HE2 GLN 6 HE22 GLN 6 -19.940 -8.159 2.822 51 H HIS 7 HN HIS 7 -20.012 -3.696 4.789 52 HA HIS 7 HA HIS 7 -20.889 -1.345 6.085 53 1HB HIS 7 HB2 HIS 7 -18.241 -2.785 6.118 54 2HB HIS 7 HB1 HIS 7 -18.528 -1.333 7.068 55 HD1 HIS 7 HD1 HIS 7 -18.385 -4.777 7.525 56 HD2 HIS 7 HD2 HIS 7 -21.125 -1.879 8.687 57 HE1 HIS 7 HE1 HIS 7 -19.621 -5.763 9.480 58 HE2 HIS 7 HE2 HIS 7 -21.114 -3.904 10.299 59 H SER 8 HN SER 8 -17.993 -1.884 4.143 60 HA SER 8 HA SER 8 -16.736 -0.582 2.812 61 1HB SER 8 HB2 SER 8 -18.886 0.013 1.705 62 2HB SER 8 HB1 SER 8 -19.044 1.378 2.810 63 HG SER 8 HG SER 8 -17.116 0.954 0.787 64 H SER 9 HN SER 9 -18.471 1.413 5.207 65 HA SER 9 HA SER 9 -16.274 3.196 5.609 66 1HB SER 9 HB2 SER 9 -18.694 2.712 7.366 67 2HB SER 9 HB1 SER 9 -17.634 4.122 7.409 68 HG SER 9 HG SER 9 -18.987 4.921 6.013 69 H GLN 10 HN GLN 10 -15.319 0.606 5.874 70 HA GLN 10 HA GLN 10 -14.863 0.223 8.730 71 1HB GLN 10 HB2 GLN 10 -13.978 -1.394 6.336 72 2HB GLN 10 HB1 GLN 10 -13.608 -1.804 8.006 73 1HG GLN 10 HG2 GLN 10 -15.924 -2.136 8.498 74 2HG GLN 10 HG1 GLN 10 -16.390 -1.543 6.907 75 1HE2 GLN 10 HE21 GLN 10 -13.651 -3.661 7.457 76 2HE2 GLN 10 HE22 GLN 10 -14.332 -5.050 6.675 77 H ASP 11 HN ASP 11 -13.639 1.861 6.141 78 HA ASP 11 HA ASP 11 -11.754 2.940 5.570 79 1HB ASP 11 HB2 ASP 11 -11.289 2.624 8.522 80 2HB ASP 11 HB1 ASP 11 -10.180 3.517 7.481 81 H VAL 12 HN VAL 12 -9.275 2.706 5.453 82 HA VAL 12 HA VAL 12 -8.667 -0.161 5.496 83 HB VAL 12 HB VAL 12 -7.211 0.277 3.453 84 1HG1 VAL 12 HG11 VAL 12 -8.965 -1.237 3.239 85 2HG1 VAL 12 HG12 VAL 12 -9.235 -0.073 1.941 86 3HG1 VAL 12 HG13 VAL 12 -10.190 0.012 3.419 87 1HG2 VAL 12 HG21 VAL 12 -7.374 2.673 3.339 88 2HG2 VAL 12 HG22 VAL 12 -9.129 2.586 3.222 89 3HG2 VAL 12 HG23 VAL 12 -8.127 1.977 1.904 90 H HIS 13 HN HIS 13 -6.950 -0.647 6.640 91 HA HIS 13 HA HIS 13 -4.741 1.283 6.764 92 1HB HIS 13 HB2 HIS 13 -5.739 0.090 8.866 93 2HB HIS 13 HB1 HIS 13 -4.846 -1.313 8.289 94 HD1 HIS 13 HD1 HIS 13 -2.636 -1.520 9.390 95 HD2 HIS 13 HD2 HIS 13 -3.836 2.445 8.998 96 HE1 HIS 13 HE1 HIS 13 -0.800 -0.151 10.428 97 HE2 HIS 13 HE2 HIS 13 -1.416 2.233 9.906 98 H VAL 14 HN VAL 14 -3.473 1.036 5.036 99 HA VAL 14 HA VAL 14 -3.368 -1.610 3.776 100 HB VAL 14 HB VAL 14 -2.734 1.099 2.591 101 1HG1 VAL 14 HG11 VAL 14 -1.488 -0.697 1.516 102 2HG1 VAL 14 HG12 VAL 14 -2.738 -0.069 0.442 103 3HG1 VAL 14 HG13 VAL 14 -2.982 -1.602 1.279 104 1HG2 VAL 14 HG21 VAL 14 -5.099 0.892 3.096 105 2HG2 VAL 14 HG22 VAL 14 -5.160 -0.660 2.263 106 3HG2 VAL 14 HG23 VAL 14 -4.838 0.817 1.353 107 H VAL 15 HN VAL 15 -1.645 -2.741 4.115 108 HA VAL 15 HA VAL 15 0.857 -1.544 4.883 109 HB VAL 15 HB VAL 15 0.129 -3.651 5.916 110 1HG1 VAL 15 HG11 VAL 15 0.146 -5.750 4.657 111 2HG1 VAL 15 HG12 VAL 15 0.396 -4.841 3.167 112 3HG1 VAL 15 HG13 VAL 15 -1.095 -4.635 4.085 113 1HG2 VAL 15 HG21 VAL 15 2.508 -3.182 5.812 114 2HG2 VAL 15 HG22 VAL 15 2.608 -3.951 4.228 115 3HG2 VAL 15 HG23 VAL 15 2.217 -4.914 5.653 116 H LEU 16 HN LEU 16 2.340 -0.868 3.493 117 HA LEU 16 HA LEU 16 2.225 -1.890 0.741 118 1HB LEU 16 HB2 LEU 16 2.287 0.680 1.537 119 2HB LEU 16 HB1 LEU 16 4.008 0.367 1.456 120 HG LEU 16 HG LEU 16 2.000 0.371 -0.771 121 1HD1 LEU 16 HD11 LEU 16 3.084 2.458 -0.361 122 2HD1 LEU 16 HD12 LEU 16 3.791 1.749 -1.819 123 3HD1 LEU 16 HD13 LEU 16 4.663 1.677 -0.290 124 1HD2 LEU 16 HD21 LEU 16 4.740 -0.846 -0.886 125 2HD2 LEU 16 HD22 LEU 16 3.680 -0.524 -2.260 126 3HD2 LEU 16 HD23 LEU 16 3.204 -1.705 -1.036 127 H LYS 17 HN LYS 17 3.501 -3.531 0.453 128 HA LYS 17 HA LYS 17 6.088 -3.611 1.804 129 1HB LYS 17 HB2 LYS 17 4.372 -5.709 0.617 130 2HB LYS 17 HB1 LYS 17 6.040 -6.044 1.022 131 1HG LYS 17 HG2 LYS 17 5.432 -5.188 3.359 132 2HG LYS 17 HG1 LYS 17 3.754 -5.346 2.836 133 1HD LYS 17 HD2 LYS 17 4.165 -7.713 2.304 134 2HD LYS 17 HD1 LYS 17 5.826 -7.520 2.881 135 1HE LYS 17 HE2 LYS 17 3.411 -6.975 4.590 136 2HE LYS 17 HE1 LYS 17 4.218 -8.540 4.535 137 1HZ LYS 17 HZ1 LYS 17 4.957 -7.184 6.406 138 2HZ LYS 17 HZ2 LYS 17 5.493 -5.973 5.348 139 3HZ LYS 17 HZ3 LYS 17 6.232 -7.497 5.340 140 H LEU 18 HN LEU 18 7.701 -2.856 0.654 141 HA LEU 18 HA LEU 18 7.424 -2.608 -2.268 142 1HB LEU 18 HB2 LEU 18 7.756 -0.561 -1.039 143 2HB LEU 18 HB1 LEU 18 9.097 -1.246 -0.150 144 HG LEU 18 HG LEU 18 10.313 -1.370 -2.395 145 1HD1 LEU 18 HD11 LEU 18 8.131 0.570 -3.147 146 2HD1 LEU 18 HD12 LEU 18 8.353 -1.047 -3.816 147 3HD1 LEU 18 HD13 LEU 18 9.574 0.196 -4.092 148 1HD2 LEU 18 HD21 LEU 18 11.029 0.954 -2.210 149 2HD2 LEU 18 HD22 LEU 18 10.853 0.221 -0.614 150 3HD2 LEU 18 HD23 LEU 18 9.615 1.323 -1.222 151 H TRP 19 HN TRP 19 8.449 -4.189 -3.408 152 HA TRP 19 HA TRP 19 10.728 -5.551 -2.120 153 1HB TRP 19 HB2 TRP 19 9.211 -6.729 -4.400 154 2HB TRP 19 HB1 TRP 19 10.120 -7.536 -3.134 155 HD1 TRP 19 HD1 TRP 19 6.700 -6.225 -3.997 156 HE1 TRP 19 HE1 TRP 19 5.016 -7.126 -2.276 157 HE3 TRP 19 HE3 TRP 19 9.984 -7.977 -0.498 158 HZ2 TRP 19 HZ2 TRP 19 5.052 -8.429 0.200 159 HZ3 TRP 19 HZ3 TRP 19 9.071 -8.999 1.551 160 HH2 TRP 19 HH2 TRP 19 6.665 -9.198 1.909 161 H LYS 20 HN LYS 20 11.695 -6.970 -4.252 162 HA LYS 20 HA LYS 20 13.279 -4.968 -5.513 163 1HB LYS 20 HB2 LYS 20 14.460 -6.846 -6.575 164 2HB LYS 20 HB1 LYS 20 14.313 -7.036 -4.839 165 1HG LYS 20 HG2 LYS 20 13.696 -9.125 -5.335 166 2HG LYS 20 HG1 LYS 20 12.129 -8.407 -5.714 167 1HD LYS 20 HD2 LYS 20 12.604 -8.348 -8.028 168 2HD LYS 20 HD1 LYS 20 14.318 -8.667 -7.762 169 1HE LYS 20 HE2 LYS 20 13.308 -10.668 -8.591 170 2HE LYS 20 HE1 LYS 20 13.700 -10.918 -6.893 171 1HZ LYS 20 HZ1 LYS 20 11.001 -10.126 -7.842 172 2HZ LYS 20 HZ2 LYS 20 11.433 -10.671 -6.289 173 3HZ LYS 20 HZ3 LYS 20 11.471 -11.735 -7.603 174 H SER 21 HN SER 21 10.673 -7.068 -6.618 175 HA SER 21 HA SER 21 10.994 -6.171 -9.353 176 1HB SER 21 HB2 SER 21 8.804 -7.881 -8.148 177 2HB SER 21 HB1 SER 21 9.147 -7.671 -9.866 178 HG SER 21 HG SER 21 10.980 -8.843 -9.672 179 H GLY 22 HN GLY 22 8.754 -5.692 -6.673 180 1HA GLY 22 HA2 GLY 22 7.870 -3.184 -7.740 181 2HA GLY 22 HA1 GLY 22 6.648 -4.441 -7.870 182 H PHE 23 HN PHE 23 5.185 -4.000 -6.355 183 HA PHE 23 HA PHE 23 6.021 -4.121 -3.591 184 1HB PHE 23 HB2 PHE 23 4.934 -2.022 -2.973 185 2HB PHE 23 HB1 PHE 23 6.207 -1.728 -4.139 186 HD1 PHE 23 HD1 PHE 23 2.701 -1.414 -3.409 187 HD2 PHE 23 HD2 PHE 23 5.612 -1.308 -6.521 188 HE1 PHE 23 HE1 PHE 23 1.100 -0.280 -4.880 189 HE2 PHE 23 HE2 PHE 23 4.013 -0.172 -7.980 190 HZ PHE 23 HZ PHE 23 1.756 0.348 -7.165 191 H SER 24 HN SER 24 4.285 -4.555 -2.167 192 HA SER 24 HA SER 24 1.754 -5.343 -3.471 193 1HB SER 24 HB2 SER 24 1.676 -7.271 -1.897 194 2HB SER 24 HB1 SER 24 3.065 -7.353 -2.980 195 HG SER 24 HG SER 24 3.460 -6.027 -0.583 196 H LEU 25 HN LEU 25 -0.066 -5.480 -1.999 197 HA LEU 25 HA LEU 25 0.153 -3.722 0.339 198 1HB LEU 25 HB2 LEU 25 -2.078 -3.444 -1.675 199 2HB LEU 25 HB1 LEU 25 -1.696 -2.376 -0.342 200 HG LEU 25 HG LEU 25 0.517 -1.945 -1.661 201 1HD1 LEU 25 HD11 LEU 25 0.275 -2.120 -4.077 202 2HD1 LEU 25 HD12 LEU 25 -1.296 -2.897 -3.877 203 3HD1 LEU 25 HD13 LEU 25 0.169 -3.714 -3.322 204 1HD2 LEU 25 HD21 LEU 25 -0.563 -0.117 -2.875 205 2HD2 LEU 25 HD22 LEU 25 -1.186 -0.259 -1.231 206 3HD2 LEU 25 HD23 LEU 25 -2.138 -0.859 -2.590 207 H ASP 26 HN ASP 26 -2.561 -3.668 0.992 208 HA ASP 26 HA ASP 26 -3.143 -6.442 1.574 209 1HB ASP 26 HB2 ASP 26 -3.668 -4.717 3.258 210 2HB ASP 26 HB1 ASP 26 -4.798 -3.965 2.134 211 H ASN 27 HN ASN 27 -4.303 -3.857 -0.432 212 HA ASN 27 HA ASN 27 -6.603 -5.183 -1.514 213 1HB ASN 27 HB2 ASN 27 -6.579 -3.178 -3.059 214 2HB ASN 27 HB1 ASN 27 -6.619 -2.776 -1.337 215 1HD2 ASN 27 HD21 ASN 27 -4.662 -2.878 -4.221 216 2HD2 ASN 27 HD22 ASN 27 -3.360 -1.904 -3.621 217 H GLY 28 HN GLY 28 -3.451 -5.848 -2.041 218 1HA GLY 28 HA2 GLY 28 -3.825 -7.252 -4.444 219 2HA GLY 28 HA1 GLY 28 -3.108 -5.689 -4.823 220 H GLU 29 HN GLU 29 -1.868 -8.174 -5.279 221 HA GLU 29 HA GLU 29 0.035 -8.499 -3.093 222 1HB GLU 29 HB2 GLU 29 -0.201 -10.128 -5.617 223 2HB GLU 29 HB1 GLU 29 0.691 -10.554 -4.159 224 1HG GLU 29 HG2 GLU 29 -1.547 -10.434 -2.955 225 2HG GLU 29 HG1 GLU 29 -2.279 -10.421 -4.557 226 H LEU 30 HN LEU 30 2.227 -9.470 -4.623 227 HA LEU 30 HA LEU 30 3.601 -7.024 -4.970 228 1HB LEU 30 HB2 LEU 30 4.529 -9.279 -4.268 229 2HB LEU 30 HB1 LEU 30 4.488 -9.747 -5.934 230 HG LEU 30 HG LEU 30 6.326 -7.898 -4.513 231 1HD1 LEU 30 HD11 LEU 30 7.962 -9.233 -5.220 232 2HD1 LEU 30 HD12 LEU 30 7.220 -9.481 -6.803 233 3HD1 LEU 30 HD13 LEU 30 6.639 -10.393 -5.413 234 1HD2 LEU 30 HD21 LEU 30 5.858 -7.720 -7.472 235 2HD2 LEU 30 HD22 LEU 30 7.167 -6.953 -6.573 236 3HD2 LEU 30 HD23 LEU 30 5.498 -6.466 -6.283 237 H ARG 31 HN ARG 31 2.799 -5.743 -6.503 238 HA ARG 31 HA ARG 31 2.683 -6.706 -9.274 239 1HB ARG 31 HB2 ARG 31 1.930 -3.987 -8.157 240 2HB ARG 31 HB1 ARG 31 1.573 -4.599 -9.767 241 1HG ARG 31 HG2 ARG 31 0.012 -6.190 -8.895 242 2HG ARG 31 HG1 ARG 31 0.491 -5.821 -7.236 243 1HD ARG 31 HD2 ARG 31 -1.185 -4.349 -7.193 244 2HD ARG 31 HD1 ARG 31 -0.229 -3.362 -8.298 245 HE ARG 31 HE ARG 31 -1.474 -4.872 -10.059 246 1HH1 ARG 31 HH11 ARG 31 -2.795 -3.444 -7.135 247 2HH1 ARG 31 HH12 ARG 31 -4.390 -3.226 -7.793 248 1HH2 ARG 31 HH21 ARG 31 -3.586 -4.598 -10.925 249 2HH2 ARG 31 HH22 ARG 31 -4.829 -3.892 -9.939 250 H SER 32 HN SER 32 4.404 -6.385 -10.550 251 HA SER 32 HA SER 32 6.732 -5.110 -9.449 252 1HB SER 32 HB2 SER 32 6.353 -6.292 -12.209 253 2HB SER 32 HB1 SER 32 7.880 -5.950 -11.389 254 HG SER 32 HG SER 32 6.933 -8.206 -11.317 255 H TYR 33 HN TYR 33 7.735 -3.255 -10.095 256 HA TYR 33 HA TYR 33 6.138 -1.062 -10.376 257 1HB TYR 33 HB2 TYR 33 8.969 -1.153 -11.417 258 2HB TYR 33 HB1 TYR 33 8.100 0.254 -10.836 259 HD1 TYR 33 HD1 TYR 33 10.721 -1.658 -10.085 260 HD2 TYR 33 HD2 TYR 33 7.093 -0.442 -8.212 261 HE1 TYR 33 HE1 TYR 33 11.755 -1.972 -7.885 262 HE2 TYR 33 HE2 TYR 33 8.122 -0.756 -6.006 263 HH TYR 33 HH TYR 33 10.120 -2.218 -5.088 264 H GLN 34 HN GLN 34 7.669 -2.853 -12.998 265 HA GLN 34 HA GLN 34 7.279 -0.977 -15.048 266 1HB GLN 34 HB2 GLN 34 7.527 -3.971 -15.185 267 2HB GLN 34 HB1 GLN 34 7.661 -2.890 -16.568 268 1HG GLN 34 HG2 GLN 34 9.617 -1.830 -15.556 269 2HG GLN 34 HG1 GLN 34 9.483 -2.905 -14.165 270 1HE2 GLN 34 HE21 GLN 34 11.684 -2.572 -16.041 271 2HE2 GLN 34 HE22 GLN 34 11.956 -4.128 -16.741 272 H ASP 35 HN ASP 35 5.143 -3.379 -13.682 273 HA ASP 35 HA ASP 35 3.240 -3.537 -15.736 274 1HB ASP 35 HB2 ASP 35 3.001 -5.149 -14.075 275 2HB ASP 35 HB1 ASP 35 3.136 -3.975 -12.774 276 HA PRO 36 HA PRO 36 1.689 0.573 -15.734 277 1HB PRO 36 HB2 PRO 36 -0.622 -0.423 -17.227 278 2HB PRO 36 HB1 PRO 36 0.681 0.642 -17.759 279 1HG PRO 36 HG2 PRO 36 0.434 -1.893 -18.650 280 2HG PRO 36 HG1 PRO 36 2.010 -1.108 -18.442 281 1HD PRO 36 HD2 PRO 36 0.619 -3.069 -16.654 282 2HD PRO 36 HD1 PRO 36 2.331 -2.988 -17.122 283 H SER 37 HN SER 37 0.052 -1.989 -14.180 284 HA SER 37 HA SER 37 -2.300 -0.391 -13.574 285 1HB SER 37 HB2 SER 37 -2.476 -2.842 -14.051 286 2HB SER 37 HB1 SER 37 -1.594 -3.153 -12.557 287 HG SER 37 HG SER 37 -3.874 -1.516 -12.479 288 H ASN 38 HN ASN 38 0.541 -1.713 -11.906 289 HA ASN 38 HA ASN 38 -0.260 -0.518 -9.402 290 1HB ASN 38 HB2 ASN 38 1.775 -1.355 -8.481 291 2HB ASN 38 HB1 ASN 38 1.088 -2.606 -9.504 292 1HD2 ASN 38 HD21 ASN 38 2.097 -3.170 -11.377 293 2HD2 ASN 38 HD22 ASN 38 3.740 -2.737 -11.702 294 H ALA 39 HN ALA 39 1.491 0.407 -12.160 295 HA ALA 39 HA ALA 39 3.063 2.511 -11.390 296 1HB ALA 39 HB1 ALA 39 1.106 2.544 -13.683 297 2HB ALA 39 HB2 ALA 39 2.717 1.824 -13.720 298 3HB ALA 39 HB3 ALA 39 2.533 3.567 -13.515 299 H GLN 40 HN GLN 40 -0.450 2.399 -11.526 300 HA GLN 40 HA GLN 40 -1.180 4.995 -10.966 301 1HB GLN 40 HB2 GLN 40 -2.899 3.392 -11.307 302 2HB GLN 40 HB1 GLN 40 -2.304 2.365 -10.009 303 1HG GLN 40 HG2 GLN 40 -2.859 4.295 -8.451 304 2HG GLN 40 HG1 GLN 40 -3.761 4.976 -9.802 305 1HE2 GLN 40 HE21 GLN 40 -3.604 2.420 -7.442 306 2HE2 GLN 40 HE22 GLN 40 -5.201 1.814 -7.709 307 H PHE 41 HN PHE 41 -0.475 2.437 -8.601 308 HA PHE 41 HA PHE 41 -0.708 4.032 -6.304 309 1HB PHE 41 HB2 PHE 41 1.065 1.614 -6.707 310 2HB PHE 41 HB1 PHE 41 0.573 2.284 -5.159 311 HD1 PHE 41 HD1 PHE 41 -1.713 1.962 -4.353 312 HD2 PHE 41 HD2 PHE 41 -0.352 0.245 -7.985 313 HE1 PHE 41 HE1 PHE 41 -3.603 0.385 -4.316 314 HE2 PHE 41 HE2 PHE 41 -2.238 -1.328 -7.969 315 HZ PHE 41 HZ PHE 41 -3.868 -1.259 -6.128 316 H LEU 42 HN LEU 42 2.164 3.011 -8.139 317 HA LEU 42 HA LEU 42 4.147 4.113 -6.635 318 1HB LEU 42 HB2 LEU 42 3.886 3.886 -9.614 319 2HB LEU 42 HB1 LEU 42 5.344 4.507 -8.865 320 HG LEU 42 HG LEU 42 4.171 1.766 -8.396 321 1HD1 LEU 42 HD11 LEU 42 6.575 2.633 -9.993 322 2HD1 LEU 42 HD12 LEU 42 5.066 1.993 -10.645 323 3HD1 LEU 42 HD13 LEU 42 6.106 0.966 -9.659 324 1HD2 LEU 42 HD21 LEU 42 6.283 1.322 -7.238 325 2HD2 LEU 42 HD22 LEU 42 5.368 2.608 -6.451 326 3HD2 LEU 42 HD23 LEU 42 6.758 3.006 -7.463 327 H GLU 43 HN GLU 43 2.312 5.858 -9.168 328 HA GLU 43 HA GLU 43 3.724 8.287 -8.640 329 1HB GLU 43 HB2 GLU 43 2.724 7.810 -10.850 330 2HB GLU 43 HB1 GLU 43 1.121 7.929 -10.131 331 1HG GLU 43 HG2 GLU 43 1.523 10.244 -9.552 332 2HG GLU 43 HG1 GLU 43 3.164 10.135 -10.187 333 H SER 44 HN SER 44 0.472 7.084 -7.773 334 HA SER 44 HA SER 44 -0.451 9.358 -6.481 335 1HB SER 44 HB2 SER 44 -1.975 7.857 -5.270 336 2HB SER 44 HB1 SER 44 -1.866 7.399 -6.965 337 HG SER 44 HG SER 44 -0.018 6.007 -5.869 338 H ILE 45 HN ILE 45 1.553 6.720 -5.260 339 HA ILE 45 HA ILE 45 1.442 7.608 -2.548 340 HB ILE 45 HB ILE 45 3.291 5.607 -3.861 341 1HG1 ILE 45 HG12 ILE 45 0.808 5.121 -2.208 342 2HG1 ILE 45 HG11 ILE 45 0.811 5.145 -3.966 343 1HG2 ILE 45 HG21 ILE 45 4.216 6.417 -1.757 344 2HG2 ILE 45 HG22 ILE 45 3.654 4.751 -1.590 345 3HG2 ILE 45 HG23 ILE 45 2.687 6.077 -0.945 346 1HD1 ILE 45 HD11 ILE 45 2.358 3.254 -3.987 347 2HD1 ILE 45 HD12 ILE 45 0.872 2.873 -3.118 348 3HD1 ILE 45 HD13 ILE 45 2.347 3.229 -2.225 349 H ARG 46 HN ARG 46 3.744 8.032 -5.214 350 HA ARG 46 HA ARG 46 5.803 9.218 -3.677 351 1HB ARG 46 HB2 ARG 46 5.110 9.642 -6.591 352 2HB ARG 46 HB1 ARG 46 6.587 10.200 -5.822 353 1HG ARG 46 HG2 ARG 46 7.232 7.904 -5.353 354 2HG ARG 46 HG1 ARG 46 5.729 7.329 -6.082 355 1HD ARG 46 HD2 ARG 46 7.224 7.092 -7.823 356 2HD ARG 46 HD1 ARG 46 6.530 8.681 -8.153 357 HE ARG 46 HE ARG 46 9.064 8.443 -6.671 358 1HH1 ARG 46 HH11 ARG 46 7.241 9.663 -9.397 359 2HH1 ARG 46 HH12 ARG 46 8.588 10.539 -10.063 360 1HH2 ARG 46 HH21 ARG 46 10.812 9.596 -7.510 361 2HH2 ARG 46 HH22 ARG 46 10.625 10.526 -8.970 362 H ARG 47 HN ARG 47 2.937 10.562 -5.239 363 HA ARG 47 HA ARG 47 3.632 13.261 -4.456 364 1HB ARG 47 HB2 ARG 47 1.067 12.200 -5.649 365 2HB ARG 47 HB1 ARG 47 1.508 13.894 -5.486 366 1HG ARG 47 HG2 ARG 47 2.735 11.823 -7.277 367 2HG ARG 47 HG1 ARG 47 1.908 13.314 -7.728 368 1HD ARG 47 HD2 ARG 47 3.754 14.537 -6.492 369 2HD ARG 47 HD1 ARG 47 4.602 12.990 -6.449 370 HE ARG 47 HE ARG 47 3.724 14.010 -9.043 371 1HH1 ARG 47 HH11 ARG 47 6.360 13.345 -6.818 372 2HH1 ARG 47 HH12 ARG 47 7.595 13.586 -8.020 373 1HH2 ARG 47 HH21 ARG 47 5.340 14.351 -10.601 374 2HH2 ARG 47 HH22 ARG 47 7.017 14.187 -10.158 375 H GLY 48 HN GLY 48 2.626 10.754 -2.687 376 1HA GLY 48 HA2 GLY 48 1.763 10.628 -0.562 377 2HA GLY 48 HA1 GLY 48 1.735 12.384 -0.540 378 H GLU 49 HN GLU 49 0.061 10.540 -2.982 379 HA GLU 49 HA GLU 49 -2.491 11.443 -1.834 380 1HB GLU 49 HB2 GLU 49 -1.816 10.651 -4.665 381 2HB GLU 49 HB1 GLU 49 -3.412 11.118 -4.095 382 1HG GLU 49 HG2 GLU 49 -2.530 13.336 -3.513 383 2HG GLU 49 HG1 GLU 49 -0.962 12.858 -4.164 384 H VAL 50 HN VAL 50 -4.351 9.987 -2.357 385 HA VAL 50 HA VAL 50 -3.624 7.288 -1.598 386 HB VAL 50 HB VAL 50 -5.361 8.342 -0.311 387 1HG1 VAL 50 HG11 VAL 50 -7.529 8.946 -1.280 388 2HG1 VAL 50 HG12 VAL 50 -6.905 8.580 -2.889 389 3HG1 VAL 50 HG13 VAL 50 -6.217 9.909 -1.957 390 1HG2 VAL 50 HG21 VAL 50 -6.388 6.143 -2.098 391 2HG2 VAL 50 HG22 VAL 50 -7.151 6.642 -0.587 392 3HG2 VAL 50 HG23 VAL 50 -5.526 5.956 -0.570 393 HA PRO 51 HA PRO 51 -4.147 5.565 -5.763 394 1HB PRO 51 HB2 PRO 51 -4.269 3.212 -3.934 395 2HB PRO 51 HB1 PRO 51 -3.362 3.418 -5.429 396 1HG PRO 51 HG2 PRO 51 -2.170 3.524 -3.069 397 2HG PRO 51 HG1 PRO 51 -1.674 4.578 -4.404 398 1HD PRO 51 HD2 PRO 51 -3.213 5.224 -1.944 399 2HD PRO 51 HD1 PRO 51 -2.108 6.246 -2.883 400 H ALA 52 HN ALA 52 -6.034 5.121 -6.767 401 HA ALA 52 HA ALA 52 -8.507 5.398 -5.484 402 1HB ALA 52 HB1 ALA 52 -9.498 4.778 -7.617 403 2HB ALA 52 HB2 ALA 52 -7.944 4.158 -8.177 404 3HB ALA 52 HB3 ALA 52 -8.145 5.882 -7.863 405 H GLU 53 HN GLU 53 -6.511 2.640 -6.006 406 HA GLU 53 HA GLU 53 -8.420 0.590 -5.734 407 1HB GLU 53 HB2 GLU 53 -5.467 0.708 -5.141 408 2HB GLU 53 HB1 GLU 53 -6.410 -0.763 -4.962 409 1HG GLU 53 HG2 GLU 53 -6.590 0.656 -7.550 410 2HG GLU 53 HG1 GLU 53 -5.077 -0.171 -7.174 411 H LEU 54 HN LEU 54 -6.754 2.604 -3.375 412 HA LEU 54 HA LEU 54 -7.586 0.904 -1.169 413 1HB LEU 54 HB2 LEU 54 -6.559 3.616 -0.594 414 2HB LEU 54 HB1 LEU 54 -6.171 2.082 0.155 415 HG LEU 54 HG LEU 54 -5.051 3.097 -2.454 416 1HD1 LEU 54 HD11 LEU 54 -2.999 3.329 -1.195 417 2HD1 LEU 54 HD12 LEU 54 -3.789 2.716 0.258 418 3HD1 LEU 54 HD13 LEU 54 -4.282 4.265 -0.427 419 1HD2 LEU 54 HD21 LEU 54 -4.527 0.581 -0.883 420 2HD2 LEU 54 HD22 LEU 54 -3.532 1.156 -2.225 421 3HD2 LEU 54 HD23 LEU 54 -5.212 0.693 -2.505 422 H ARG 55 HN ARG 55 -8.329 4.039 -2.579 423 HA ARG 55 HA ARG 55 -10.181 4.876 -0.619 424 1HB ARG 55 HB2 ARG 55 -9.062 6.187 -2.596 425 2HB ARG 55 HB1 ARG 55 -10.473 5.655 -3.496 426 1HG ARG 55 HG2 ARG 55 -11.240 7.664 -2.757 427 2HG ARG 55 HG1 ARG 55 -11.738 6.663 -1.385 428 1HD ARG 55 HD2 ARG 55 -9.730 7.270 -0.180 429 2HD ARG 55 HD1 ARG 55 -9.162 8.220 -1.553 430 HE ARG 55 HE ARG 55 -11.404 8.900 0.227 431 1HH1 ARG 55 HH11 ARG 55 -9.236 9.780 -2.383 432 2HH1 ARG 55 HH12 ARG 55 -9.556 11.479 -2.260 433 1HH2 ARG 55 HH21 ARG 55 -11.850 11.134 0.392 434 2HH2 ARG 55 HH22 ARG 55 -11.068 12.254 -0.684 435 H ARG 56 HN ARG 56 -10.606 3.246 -3.749 436 HA ARG 56 HA ARG 56 -13.349 2.637 -3.101 437 1HB ARG 56 HB2 ARG 56 -11.682 1.879 -5.498 438 2HB ARG 56 HB1 ARG 56 -13.404 1.550 -5.315 439 1HG ARG 56 HG2 ARG 56 -12.091 4.257 -5.420 440 2HG ARG 56 HG1 ARG 56 -13.095 3.518 -6.673 441 1HD ARG 56 HD2 ARG 56 -15.036 3.649 -5.320 442 2HD ARG 56 HD1 ARG 56 -14.094 4.036 -3.880 443 HE ARG 56 HE ARG 56 -14.148 5.895 -6.159 444 1HH1 ARG 56 HH11 ARG 56 -14.897 5.168 -2.808 445 2HH1 ARG 56 HH12 ARG 56 -15.196 6.823 -2.386 446 1HH2 ARG 56 HH21 ARG 56 -14.545 8.080 -5.593 447 2HH2 ARG 56 HH22 ARG 56 -14.984 8.480 -3.955 448 H LEU 57 HN LEU 57 -11.317 1.582 -1.375 449 HA LEU 57 HA LEU 57 -12.134 -1.248 -1.594 450 1HB LEU 57 HB2 LEU 57 -9.576 -0.555 -1.580 451 2HB LEU 57 HB1 LEU 57 -9.850 -0.367 0.139 452 HG LEU 57 HG LEU 57 -8.863 -2.552 -0.439 453 1HD1 LEU 57 HD11 LEU 57 -10.222 -2.355 1.576 454 2HD1 LEU 57 HD12 LEU 57 -10.378 -3.952 0.847 455 3HD1 LEU 57 HD13 LEU 57 -11.666 -2.762 0.647 456 1HD2 LEU 57 HD21 LEU 57 -9.867 -2.853 -2.631 457 2HD2 LEU 57 HD22 LEU 57 -11.461 -3.022 -1.894 458 3HD2 LEU 57 HD23 LEU 57 -10.216 -4.233 -1.588 459 H ALA 58 HN ALA 58 -11.041 1.147 0.772 460 HA ALA 58 HA ALA 58 -13.165 0.575 2.644 461 1HB ALA 58 HB1 ALA 58 -11.228 2.887 2.426 462 2HB ALA 58 HB2 ALA 58 -11.107 1.502 3.522 463 3HB ALA 58 HB3 ALA 58 -12.398 2.685 3.730 464 H HIS 59 HN HIS 59 -14.576 2.489 3.298 465 HA HIS 59 HA HIS 59 -16.214 3.444 1.296 466 1HB HIS 59 HB2 HIS 59 -16.320 3.600 3.947 467 2HB HIS 59 HB1 HIS 59 -15.697 5.220 3.636 468 HD1 HIS 59 HD1 HIS 59 -17.541 6.867 3.532 469 HD2 HIS 59 HD2 HIS 59 -18.622 3.145 2.043 470 HE1 HIS 59 HE1 HIS 59 -19.942 7.110 2.791 471 HE2 HIS 59 HE2 HIS 59 -20.508 4.902 1.705 472 H GLY 60 HN GLY 60 -13.093 4.527 2.264 473 1HA GLY 60 HA2 GLY 60 -11.791 5.878 0.735 474 2HA GLY 60 HA1 GLY 60 -13.265 6.762 0.353 475 H GLY 61 HN GLY 61 -13.180 6.062 3.599 476 1HA GLY 61 HA2 GLY 61 -12.793 8.808 4.262 477 2HA GLY 61 HA1 GLY 61 -13.173 7.523 5.381 478 H GLN 62 HN GLN 62 -11.571 6.446 6.392 479 HA GLN 62 HA GLN 62 -9.034 7.835 6.512 480 1HB GLN 62 HB2 GLN 62 -10.052 7.225 8.577 481 2HB GLN 62 HB1 GLN 62 -10.281 5.574 8.036 482 1HG GLN 62 HG2 GLN 62 -7.782 5.347 7.988 483 2HG GLN 62 HG1 GLN 62 -7.692 6.942 8.730 484 1HE2 GLN 62 HE21 GLN 62 -10.134 6.415 10.312 485 2HE2 GLN 62 HE22 GLN 62 -9.638 5.368 11.597 486 H VAL 63 HN VAL 63 -8.351 7.316 4.383 487 HA VAL 63 HA VAL 63 -7.606 4.536 3.915 488 HB VAL 63 HB VAL 63 -6.714 5.494 1.716 489 1HG1 VAL 63 HG11 VAL 63 -8.831 4.294 1.888 490 2HG1 VAL 63 HG12 VAL 63 -8.947 5.612 0.723 491 3HG1 VAL 63 HG13 VAL 63 -9.652 5.791 2.329 492 1HG2 VAL 63 HG21 VAL 63 -8.270 7.903 2.662 493 2HG2 VAL 63 HG22 VAL 63 -7.656 7.663 1.027 494 3HG2 VAL 63 HG23 VAL 63 -6.531 7.831 2.376 495 H ASN 64 HN ASN 64 -5.866 3.991 5.114 496 HA ASN 64 HA ASN 64 -3.627 5.901 5.207 497 1HB ASN 64 HB2 ASN 64 -4.780 5.443 7.378 498 2HB ASN 64 HB1 ASN 64 -4.287 3.762 7.235 499 1HD2 ASN 64 HD21 ASN 64 -2.292 6.469 6.227 500 2HD2 ASN 64 HD22 ASN 64 -1.079 6.253 7.446 501 H LEU 65 HN LEU 65 -1.719 5.277 4.454 502 HA LEU 65 HA LEU 65 -1.318 2.419 3.875 503 1HB LEU 65 HB2 LEU 65 -1.796 3.712 1.835 504 2HB LEU 65 HB1 LEU 65 -0.468 4.791 2.201 505 HG LEU 65 HG LEU 65 0.124 1.882 1.871 506 1HD1 LEU 65 HD11 LEU 65 -0.361 3.811 -0.399 507 2HD1 LEU 65 HD12 LEU 65 -1.319 2.378 -0.025 508 3HD1 LEU 65 HD13 LEU 65 0.355 2.206 -0.553 509 1HD2 LEU 65 HD21 LEU 65 1.580 4.421 1.130 510 2HD2 LEU 65 HD22 LEU 65 2.200 2.782 0.936 511 3HD2 LEU 65 HD23 LEU 65 1.893 3.423 2.550 512 H ASP 66 HN ASP 66 0.463 1.557 4.715 513 HA ASP 66 HA ASP 66 2.533 3.369 5.790 514 1HB ASP 66 HB2 ASP 66 1.670 0.629 6.736 515 2HB ASP 66 HB1 ASP 66 3.068 1.493 7.364 516 H MET 67 HN MET 67 4.585 3.122 5.082 517 HA MET 67 HA MET 67 4.945 1.158 2.943 518 1HB MET 67 HB2 MET 67 6.524 3.651 3.582 519 2HB MET 67 HB1 MET 67 6.831 2.580 2.222 520 1HG MET 67 HG2 MET 67 4.599 3.090 1.339 521 2HG MET 67 HG1 MET 67 4.338 4.201 2.683 522 1HE MET 67 HE1 MET 67 7.538 4.820 -0.587 523 2HE MET 67 HE2 MET 67 6.403 3.470 -0.572 524 3HE MET 67 HE3 MET 67 7.660 3.579 0.659 525 H GLU 68 HN GLU 68 6.116 -0.597 3.275 526 HA GLU 68 HA GLU 68 8.409 -0.422 5.131 527 1HB GLU 68 HB2 GLU 68 6.930 -2.888 4.194 528 2HB GLU 68 HB1 GLU 68 8.308 -2.873 5.277 529 1HG GLU 68 HG2 GLU 68 6.942 -1.620 6.918 530 2HG GLU 68 HG1 GLU 68 5.554 -1.800 5.839 531 H ASP 69 HN ASP 69 10.419 -1.126 4.349 532 HA ASP 69 HA ASP 69 10.515 -1.516 1.440 533 1HB ASP 69 HB2 ASP 69 11.898 0.316 1.974 534 2HB ASP 69 HB1 ASP 69 12.545 -0.473 3.404 535 H HIS 70 HN HIS 70 10.748 -3.464 0.744 536 HA HIS 70 HA HIS 70 12.381 -5.411 2.219 537 1HB HIS 70 HB2 HIS 70 9.631 -5.962 1.077 538 2HB HIS 70 HB1 HIS 70 10.716 -7.172 1.744 539 HD1 HIS 70 HD1 HIS 70 11.116 -7.063 4.374 540 HD2 HIS 70 HD2 HIS 70 8.064 -4.640 2.896 541 HE1 HIS 70 HE1 HIS 70 9.680 -6.473 6.363 542 HE2 HIS 70 HE2 HIS 70 7.829 -5.018 5.450 543 H ARG 71 HN ARG 71 12.908 -3.746 -0.066 544 HA ARG 71 HA ARG 71 12.686 -5.319 -2.434 545 1HB ARG 71 HB2 ARG 71 14.548 -3.001 -1.821 546 2HB ARG 71 HB1 ARG 71 14.199 -3.651 -3.419 547 1HG ARG 71 HG2 ARG 71 11.917 -2.938 -3.279 548 2HG ARG 71 HG1 ARG 71 12.126 -2.453 -1.599 549 1HD ARG 71 HD2 ARG 71 12.158 -0.484 -2.930 550 2HD ARG 71 HD1 ARG 71 13.802 -0.779 -2.369 551 HE ARG 71 HE ARG 71 12.940 -1.540 -5.084 552 1HH1 ARG 71 HH11 ARG 71 15.126 0.073 -2.885 553 2HH1 ARG 71 HH12 ARG 71 16.203 0.619 -4.140 554 1HH2 ARG 71 HH21 ARG 71 14.342 -0.803 -6.764 555 2HH2 ARG 71 HH22 ARG 71 15.746 0.138 -6.343 556 H ASP 72 HN ASP 72 14.175 -6.677 -3.333 557 HA ASP 72 HA ASP 72 15.761 -8.274 -3.422 558 1HB ASP 72 HB2 ASP 72 17.423 -6.570 -3.067 559 2HB ASP 72 HB1 ASP 72 17.142 -6.595 -1.331 560 H GLU 73 HN GLU 73 14.252 -7.458 -0.437 561 HA GLU 73 HA GLU 73 14.690 -9.881 0.965 562 1HB GLU 73 HB2 GLU 73 13.689 -7.914 2.038 563 2HB GLU 73 HB1 GLU 73 12.324 -7.992 0.952 564 1HG GLU 73 HG2 GLU 73 11.257 -9.322 2.323 565 2HG GLU 73 HG1 GLU 73 12.575 -10.493 2.283 566 H ASP 74 HN ASP 74 12.587 -8.843 -1.552 567 HA ASP 74 HA ASP 74 11.264 -9.852 -3.054 568 1HB ASP 74 HB2 ASP 74 13.144 -11.832 -2.547 569 2HB ASP 74 HB1 ASP 74 11.586 -12.637 -2.334 570 H PHE 75 HN PHE 75 9.408 -11.486 -3.199 571 HA PHE 75 HA PHE 75 7.589 -10.216 -1.441 572 1HB PHE 75 HB2 PHE 75 7.150 -10.681 -3.817 573 2HB PHE 75 HB1 PHE 75 7.082 -12.403 -3.457 574 HD1 PHE 75 HD1 PHE 75 5.661 -9.673 -1.427 575 HD2 PHE 75 HD2 PHE 75 4.864 -12.874 -4.098 576 HE1 PHE 75 HE1 PHE 75 3.269 -9.405 -0.993 577 HE2 PHE 75 HE2 PHE 75 2.457 -12.622 -3.674 578 HZ PHE 75 HZ PHE 75 1.648 -10.881 -2.129 579 H VAL 76 HN VAL 76 8.066 -10.911 0.635 580 HA VAL 76 HA VAL 76 7.564 -13.679 1.316 581 HB VAL 76 HB VAL 76 9.364 -12.201 2.392 582 1HG1 VAL 76 HG11 VAL 76 6.981 -11.188 3.921 583 2HG1 VAL 76 HG12 VAL 76 8.029 -10.250 2.857 584 3HG1 VAL 76 HG13 VAL 76 8.667 -10.916 4.361 585 1HG2 VAL 76 HG21 VAL 76 9.125 -13.305 4.579 586 2HG2 VAL 76 HG22 VAL 76 8.825 -14.411 3.238 587 3HG2 VAL 76 HG23 VAL 76 7.472 -13.751 4.156 588 H LYS 77 HN LYS 77 5.849 -10.850 0.945 589 HA LYS 77 HA LYS 77 3.600 -10.618 0.757 590 1HB LYS 77 HB2 LYS 77 3.299 -13.256 2.184 591 2HB LYS 77 HB1 LYS 77 2.101 -12.431 1.194 592 1HG LYS 77 HG2 LYS 77 3.932 -12.658 -0.664 593 2HG LYS 77 HG1 LYS 77 4.510 -13.967 0.371 594 1HD LYS 77 HD2 LYS 77 2.947 -14.753 -1.355 595 2HD LYS 77 HD1 LYS 77 2.333 -15.028 0.282 596 1HE LYS 77 HE2 LYS 77 0.843 -13.221 0.140 597 2HE LYS 77 HE1 LYS 77 1.651 -12.557 -1.293 598 1HZ LYS 77 HZ1 LYS 77 -0.326 -13.611 -2.045 599 2HZ LYS 77 HZ2 LYS 77 -0.075 -14.979 -1.075 600 3HZ LYS 77 HZ3 LYS 77 0.913 -14.705 -2.421 601 HA PRO 78 HA PRO 78 2.226 -9.186 4.820 602 1HB PRO 78 HB2 PRO 78 -0.206 -8.427 3.384 603 2HB PRO 78 HB1 PRO 78 0.960 -7.385 4.210 604 1HG PRO 78 HG2 PRO 78 0.709 -7.381 1.536 605 2HG PRO 78 HG1 PRO 78 2.282 -7.165 2.330 606 1HD PRO 78 HD2 PRO 78 1.102 -9.657 1.138 607 2HD PRO 78 HD1 PRO 78 2.729 -8.973 0.908 608 H LYS 79 HN LYS 79 -0.314 -10.223 2.610 609 HA LYS 79 HA LYS 79 -1.622 -11.956 4.430 610 1HB LYS 79 HB2 LYS 79 -2.614 -12.813 2.146 611 2HB LYS 79 HB1 LYS 79 -3.052 -11.229 2.769 612 1HG LYS 79 HG2 LYS 79 -1.518 -10.145 1.272 613 2HG LYS 79 HG1 LYS 79 -0.859 -11.696 0.749 614 1HD LYS 79 HD2 LYS 79 -2.475 -10.652 -0.850 615 2HD LYS 79 HD1 LYS 79 -2.904 -12.281 -0.333 616 1HE LYS 79 HE2 LYS 79 -4.864 -10.841 -0.364 617 2HE LYS 79 HE1 LYS 79 -4.491 -11.351 1.280 618 1HZ LYS 79 HZ1 LYS 79 -3.447 -9.193 1.665 619 2HZ LYS 79 HZ2 LYS 79 -5.068 -9.022 1.208 620 3HZ LYS 79 HZ3 LYS 79 -3.841 -8.708 0.089 621 H GLY 80 HN GLY 80 -0.350 -13.533 5.243 622 1HA GLY 80 HA2 GLY 80 0.208 -15.918 4.581 623 2HA GLY 80 HA1 GLY 80 1.211 -15.167 3.345 624 H ALA 81 HN ALA 81 1.344 -13.120 5.845 625 HA ALA 81 HA ALA 81 3.773 -14.335 6.934 626 1HB ALA 81 HB1 ALA 81 4.317 -12.072 7.715 627 2HB ALA 81 HB2 ALA 81 2.792 -11.479 7.056 628 3HB ALA 81 HB3 ALA 81 4.037 -12.103 5.974 629 H PHE 82 HN PHE 82 3.959 -13.140 9.361 630 HA PHE 82 HA PHE 82 1.604 -14.227 10.744 631 1HB PHE 82 HB2 PHE 82 4.504 -14.162 11.531 632 2HB PHE 82 HB1 PHE 82 3.225 -14.494 12.694 633 HD1 PHE 82 HD1 PHE 82 1.855 -16.517 12.481 634 HD2 PHE 82 HD2 PHE 82 5.189 -15.797 9.937 635 HE1 PHE 82 HE1 PHE 82 1.864 -18.890 11.831 636 HE2 PHE 82 HE2 PHE 82 5.208 -18.169 9.283 637 HZ PHE 82 HZ PHE 82 3.543 -19.720 10.230 638 H LYS 83 HN LYS 83 4.171 -11.773 11.174 639 HA LYS 83 HA LYS 83 2.371 -10.258 12.883 640 1HB LYS 83 HB2 LYS 83 4.317 -8.678 13.085 641 2HB LYS 83 HB1 LYS 83 4.621 -10.310 13.659 642 1HG LYS 83 HG2 LYS 83 5.710 -10.779 11.446 643 2HG LYS 83 HG1 LYS 83 5.576 -9.054 11.100 644 1HD LYS 83 HD2 LYS 83 6.959 -8.511 12.993 645 2HD LYS 83 HD1 LYS 83 6.974 -10.196 13.517 646 1HE LYS 83 HE2 LYS 83 8.114 -10.786 11.386 647 2HE LYS 83 HE1 LYS 83 8.199 -9.068 11.001 648 1HZ LYS 83 HZ1 LYS 83 9.423 -10.350 13.384 649 2HZ LYS 83 HZ2 LYS 83 9.548 -8.713 12.961 650 3HZ LYS 83 HZ3 LYS 83 10.259 -9.904 11.983 651 H ALA 84 HN ALA 84 3.581 -10.276 9.657 652 HA ALA 84 HA ALA 84 2.921 -9.253 7.756 653 1HB ALA 84 HB1 ALA 84 0.758 -8.180 7.631 654 2HB ALA 84 HB2 ALA 84 0.666 -8.106 9.391 655 3HB ALA 84 HB3 ALA 84 0.647 -9.668 8.572 656 H PHE 85 HN PHE 85 2.126 -6.834 10.237 657 HA PHE 85 HA PHE 85 3.740 -4.887 8.736 658 1HB PHE 85 HB2 PHE 85 1.342 -4.347 9.016 659 2HB PHE 85 HB1 PHE 85 1.533 -4.439 10.762 660 HD1 PHE 85 HD1 PHE 85 1.416 -2.371 11.733 661 HD2 PHE 85 HD2 PHE 85 3.442 -2.788 8.011 662 HE1 PHE 85 HE1 PHE 85 1.994 0.021 11.781 663 HE2 PHE 85 HE2 PHE 85 4.024 -0.401 8.057 664 HZ PHE 85 HZ PHE 85 3.298 1.007 9.941 665 H THR 86 HN THR 86 5.537 -4.112 9.638 666 HA THR 86 HA THR 86 6.532 -5.346 12.012 667 HB THR 86 HB THR 86 7.804 -2.966 10.676 668 HG1 THR 86 HG1 THR 86 7.357 -4.265 8.949 669 1HG2 THR 86 HG21 THR 86 9.876 -4.146 11.259 670 2HG2 THR 86 HG22 THR 86 8.932 -5.463 11.957 671 3HG2 THR 86 HG23 THR 86 8.883 -3.859 12.689 672 H GLY 87 HN GLY 87 5.211 -2.189 11.256 673 1HA GLY 87 HA2 GLY 87 4.126 -1.052 13.196 674 2HA GLY 87 HA1 GLY 87 5.616 -1.385 14.070 675 H GLU 88 HN GLU 88 3.978 1.001 12.681 676 HA GLU 88 HA GLU 88 4.349 2.880 11.442 677 1HB GLU 88 HB2 GLU 88 5.990 4.371 12.430 678 2HB GLU 88 HB1 GLU 88 5.127 3.495 13.682 679 1HG GLU 88 HG2 GLU 88 7.093 1.927 13.779 680 2HG GLU 88 HG1 GLU 88 7.943 3.066 12.735 681 H GLY 89 HN GLY 89 5.254 0.650 10.043 682 1HA GLY 89 HA2 GLY 89 6.549 0.019 8.262 683 2HA GLY 89 HA1 GLY 89 6.971 1.718 8.092 684 H GLN 90 HN GLN 90 8.837 2.470 8.883 685 HA GLN 90 HA GLN 90 10.465 1.294 10.818 686 1HB GLN 90 HB2 GLN 90 12.381 0.625 9.311 687 2HB GLN 90 HB1 GLN 90 11.001 -0.463 9.299 688 1HG GLN 90 HG2 GLN 90 10.228 0.676 7.212 689 2HG GLN 90 HG1 GLN 90 11.761 1.551 7.199 690 1HE2 GLN 90 HE21 GLN 90 10.236 -1.559 6.914 691 2HE2 GLN 90 HE22 GLN 90 11.567 -2.382 6.173 692 H LYS 91 HN LYS 91 9.481 3.756 10.422 693 HA LYS 91 HA LYS 91 9.945 5.968 10.235 694 1HB LYS 91 HB2 LYS 91 12.784 4.933 10.324 695 2HB LYS 91 HB1 LYS 91 12.392 6.646 10.287 696 1HG LYS 91 HG2 LYS 91 11.582 4.684 12.422 697 2HG LYS 91 HG1 LYS 91 12.849 5.907 12.549 698 1HD LYS 91 HD2 LYS 91 11.067 7.628 12.082 699 2HD LYS 91 HD1 LYS 91 9.880 6.337 12.276 700 1HE LYS 91 HE2 LYS 91 11.873 7.250 14.347 701 2HE LYS 91 HE1 LYS 91 10.150 7.614 14.338 702 1HZ LYS 91 HZ1 LYS 91 11.357 4.910 14.597 703 2HZ LYS 91 HZ2 LYS 91 9.689 5.245 14.562 704 3HZ LYS 91 HZ3 LYS 91 10.644 5.816 15.841 705 H LEU 92 HN LEU 92 12.439 6.857 8.697 706 HA LEU 92 HA LEU 92 13.130 7.305 6.583 707 1HB LEU 92 HB2 LEU 92 11.338 5.029 5.731 708 2HB LEU 92 HB1 LEU 92 12.528 5.825 4.723 709 HG LEU 92 HG LEU 92 13.158 4.224 7.207 710 1HD1 LEU 92 HD11 LEU 92 12.331 2.800 5.421 711 2HD1 LEU 92 HD12 LEU 92 14.064 2.567 5.651 712 3HD1 LEU 92 HD13 LEU 92 13.476 3.525 4.292 713 1HD2 LEU 92 HD21 LEU 92 14.959 5.441 5.118 714 2HD2 LEU 92 HD22 LEU 92 15.475 4.410 6.452 715 3HD2 LEU 92 HD23 LEU 92 14.775 5.995 6.782 716 H GLY 93 HN GLY 93 9.758 6.272 6.022 717 1HA GLY 93 HA2 GLY 93 9.337 8.836 4.639 718 2HA GLY 93 HA1 GLY 93 8.377 7.382 4.414 719 H SER 94 HN SER 94 9.020 7.874 7.656 720 HA SER 94 HA SER 94 6.293 8.377 8.253 721 1HB SER 94 HB2 SER 94 7.343 8.664 10.637 722 2HB SER 94 HB1 SER 94 7.364 7.079 9.860 723 HG SER 94 HG SER 94 9.468 8.912 10.258 724 H THR 95 HN THR 95 9.072 10.380 7.840 725 HA THR 95 HA THR 95 7.427 12.751 7.980 726 HB THR 95 HB THR 95 9.829 12.454 9.805 727 HG1 THR 95 HG1 THR 95 7.359 11.759 10.222 728 1HG2 THR 95 HG21 THR 95 9.681 14.708 8.848 729 2HG2 THR 95 HG22 THR 95 9.299 14.719 10.570 730 3HG2 THR 95 HG23 THR 95 8.003 14.824 9.377 731 H ALA 96 HN ALA 96 8.129 14.270 6.572 732 HA ALA 96 HA ALA 96 9.315 15.303 4.946 733 1HB ALA 96 HB1 ALA 96 11.740 15.348 5.048 734 2HB ALA 96 HB2 ALA 96 11.741 13.996 6.180 735 3HB ALA 96 HB3 ALA 96 11.058 15.550 6.662 736 HA PRO 97 HA PRO 97 9.081 11.482 2.372 737 1HB PRO 97 HB2 PRO 97 7.776 12.748 0.324 738 2HB PRO 97 HB1 PRO 97 6.956 11.996 1.697 739 1HG PRO 97 HG2 PRO 97 7.621 14.872 1.226 740 2HG PRO 97 HG1 PRO 97 6.146 14.157 1.901 741 1HD PRO 97 HD2 PRO 97 8.045 15.287 3.455 742 2HD PRO 97 HD1 PRO 97 7.083 13.896 3.997 743 H GLN 98 HN GLN 98 10.880 11.007 1.403 744 HA GLN 98 HA GLN 98 12.866 11.120 0.377 745 1HB GLN 98 HB2 GLN 98 12.775 11.718 -2.012 746 2HB GLN 98 HB1 GLN 98 11.483 10.647 -1.505 747 1HG GLN 98 HG2 GLN 98 9.977 12.636 -1.417 748 2HG GLN 98 HG1 GLN 98 11.284 13.582 -2.127 749 1HE2 GLN 98 HE21 GLN 98 11.943 13.119 -4.271 750 2HE2 GLN 98 HE22 GLN 98 10.887 12.280 -5.356 751 H VAL 99 HN VAL 99 11.775 14.291 -0.892 752 HA VAL 99 HA VAL 99 14.258 15.401 0.252 753 HB VAL 99 HB VAL 99 14.294 15.012 -2.252 754 1HG1 VAL 99 HG11 VAL 99 13.139 16.644 -3.667 755 2HG1 VAL 99 HG12 VAL 99 12.316 17.284 -2.245 756 3HG1 VAL 99 HG13 VAL 99 12.012 15.628 -2.768 757 1HG2 VAL 99 HG21 VAL 99 15.862 16.526 -1.194 758 2HG2 VAL 99 HG22 VAL 99 14.684 17.836 -1.272 759 3HG2 VAL 99 HG23 VAL 99 15.357 17.166 -2.758 760 H LEU 100 HN LEU 100 11.028 15.482 0.508 761 HA LEU 100 HA LEU 100 10.755 18.384 0.655 762 1HB LEU 100 HB2 LEU 100 8.765 16.135 0.752 763 2HB LEU 100 HB1 LEU 100 8.329 17.801 1.098 764 HG LEU 100 HG LEU 100 9.647 17.011 -1.480 765 1HD1 LEU 100 HD11 LEU 100 6.689 17.176 -0.895 766 2HD1 LEU 100 HD12 LEU 100 7.588 15.708 -1.280 767 3HD1 LEU 100 HD13 LEU 100 7.412 16.977 -2.491 768 1HD2 LEU 100 HD21 LEU 100 7.959 19.373 -0.678 769 2HD2 LEU 100 HD22 LEU 100 8.656 19.095 -2.275 770 3HD2 LEU 100 HD23 LEU 100 9.710 19.370 -0.888 771 H SER 101 HN SER 101 11.111 19.370 2.537 772 HA SER 101 HA SER 101 11.104 17.807 4.996 773 1HB SER 101 HB2 SER 101 13.009 19.310 4.542 774 2HB SER 101 HB1 SER 101 11.912 20.689 4.510 775 HG SER 101 HG SER 101 11.457 19.410 6.768 776 H THR 102 HN THR 102 9.051 19.836 3.248 777 HA THR 102 HA THR 102 7.646 21.053 5.401 778 HB THR 102 HB THR 102 5.874 21.415 3.584 779 HG1 THR 102 HG1 THR 102 6.737 19.595 2.302 780 1HG2 THR 102 HG21 THR 102 7.229 23.130 2.457 781 2HG2 THR 102 HG22 THR 102 8.694 22.394 3.106 782 3HG2 THR 102 HG23 THR 102 7.518 23.123 4.198 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -17.795 3.063 5.049 2 2H GLY 1 HT2 GLY 1 -18.868 2.623 6.288 3 3H GLY 1 HT3 GLY 1 -18.066 4.114 6.353 4 1HA GLY 1 HA1 GLY 1 -20.105 3.298 4.358 5 2HA GLY 1 HA2 GLY 1 -20.351 4.425 5.681 6 H SER 2 HN SER 2 -21.037 5.876 3.948 7 HA SER 2 HA SER 2 -18.717 7.393 2.993 8 1HB SER 2 HB2 SER 2 -21.141 6.709 1.304 9 2HB SER 2 HB1 SER 2 -19.845 7.808 0.830 10 HG SER 2 HG SER 2 -19.416 5.096 1.536 11 H GLU 3 HN GLU 3 -18.981 9.602 3.049 12 HA GLU 3 HA GLU 3 -21.595 10.578 3.956 13 1HB GLU 3 HB2 GLU 3 -20.131 12.367 5.194 14 2HB GLU 3 HB1 GLU 3 -20.433 10.803 5.929 15 1HG GLU 3 HG2 GLU 3 -18.181 11.105 6.302 16 2HG GLU 3 HG1 GLU 3 -18.194 10.120 4.843 17 H LYS 4 HN LYS 4 -18.511 11.559 2.474 18 HA LYS 4 HA LYS 4 -17.978 13.230 1.033 19 1HB LYS 4 HB2 LYS 4 -20.800 12.771 0.030 20 2HB LYS 4 HB1 LYS 4 -19.561 13.685 -0.818 21 1HG LYS 4 HG2 LYS 4 -18.164 11.597 -0.816 22 2HG LYS 4 HG1 LYS 4 -19.584 10.738 -0.221 23 1HD LYS 4 HD2 LYS 4 -20.833 11.459 -2.215 24 2HD LYS 4 HD1 LYS 4 -19.387 12.278 -2.812 25 1HE LYS 4 HE2 LYS 4 -18.216 10.049 -2.690 26 2HE LYS 4 HE1 LYS 4 -19.790 9.322 -2.383 27 1HZ LYS 4 HZ1 LYS 4 -19.030 10.876 -4.801 28 2HZ LYS 4 HZ2 LYS 4 -20.559 10.200 -4.512 29 3HZ LYS 4 HZ3 LYS 4 -19.209 9.193 -4.715 30 H ARG 5 HN ARG 5 -18.684 13.995 3.522 31 HA ARG 5 HA ARG 5 -20.392 16.373 3.208 32 1HB ARG 5 HB2 ARG 5 -20.819 14.519 4.994 33 2HB ARG 5 HB1 ARG 5 -19.459 15.248 5.835 34 1HG ARG 5 HG2 ARG 5 -21.278 16.291 6.796 35 2HG ARG 5 HG1 ARG 5 -20.770 17.454 5.567 36 1HD ARG 5 HD2 ARG 5 -23.175 17.194 5.503 37 2HD ARG 5 HD1 ARG 5 -22.463 16.525 4.032 38 HE ARG 5 HE ARG 5 -23.007 14.689 6.247 39 1HH1 ARG 5 HH11 ARG 5 -23.829 15.852 3.040 40 2HH1 ARG 5 HH12 ARG 5 -24.924 14.545 2.714 41 1HH2 ARG 5 HH21 ARG 5 -24.408 12.946 5.801 42 2HH2 ARG 5 HH22 ARG 5 -25.254 12.887 4.280 43 H GLN 6 HN GLN 6 -17.551 15.270 5.012 44 HA GLN 6 HA GLN 6 -16.222 17.828 4.432 45 1HB GLN 6 HB2 GLN 6 -16.395 16.443 7.109 46 2HB GLN 6 HB1 GLN 6 -15.231 17.712 6.752 47 1HG GLN 6 HG2 GLN 6 -18.208 18.050 6.526 48 2HG GLN 6 HG1 GLN 6 -17.274 18.461 7.963 49 1HE2 GLN 6 HE21 GLN 6 -17.964 19.293 4.655 50 2HE2 GLN 6 HE22 GLN 6 -17.265 20.879 4.706 51 H HIS 7 HN HIS 7 -16.012 14.399 5.135 52 HA HIS 7 HA HIS 7 -13.121 14.441 4.699 53 1HB HIS 7 HB2 HIS 7 -14.388 13.004 6.499 54 2HB HIS 7 HB1 HIS 7 -14.698 11.922 5.146 55 HD1 HIS 7 HD1 HIS 7 -12.907 11.164 7.618 56 HD2 HIS 7 HD2 HIS 7 -11.501 12.524 3.941 57 HE1 HIS 7 HE1 HIS 7 -10.531 10.341 7.446 58 HE2 HIS 7 HE2 HIS 7 -9.714 11.141 5.195 59 H SER 8 HN SER 8 -14.667 15.241 2.561 60 HA SER 8 HA SER 8 -15.002 13.105 0.679 61 1HB SER 8 HB2 SER 8 -14.728 16.063 0.092 62 2HB SER 8 HB1 SER 8 -15.548 14.841 -0.882 63 HG SER 8 HG SER 8 -16.602 14.774 1.544 64 H SER 9 HN SER 9 -13.269 12.013 0.147 65 HA SER 9 HA SER 9 -10.644 12.815 0.530 66 1HB SER 9 HB2 SER 9 -11.431 10.664 -1.408 67 2HB SER 9 HB1 SER 9 -10.032 10.724 -0.334 68 HG SER 9 HG SER 9 -11.257 10.166 1.357 69 H GLN 10 HN GLN 10 -12.450 12.448 -2.459 70 HA GLN 10 HA GLN 10 -12.291 13.324 -4.525 71 1HB GLN 10 HB2 GLN 10 -10.336 15.267 -3.283 72 2HB GLN 10 HB1 GLN 10 -11.077 15.428 -4.873 73 1HG GLN 10 HG2 GLN 10 -12.719 15.208 -2.371 74 2HG GLN 10 HG1 GLN 10 -12.096 16.757 -2.947 75 1HE2 GLN 10 HE21 GLN 10 -13.052 14.293 -5.216 76 2HE2 GLN 10 HE22 GLN 10 -14.508 15.061 -5.746 77 H ASP 11 HN ASP 11 -9.523 12.420 -2.799 78 HA ASP 11 HA ASP 11 -8.529 10.753 -4.822 79 1HB ASP 11 HB2 ASP 11 -7.509 12.535 -5.952 80 2HB ASP 11 HB1 ASP 11 -7.204 13.432 -4.468 81 H VAL 12 HN VAL 12 -7.534 9.148 -3.792 82 HA VAL 12 HA VAL 12 -5.890 9.791 -1.457 83 HB VAL 12 HB VAL 12 -6.583 7.778 -0.268 84 1HG1 VAL 12 HG11 VAL 12 -8.779 8.517 0.494 85 2HG1 VAL 12 HG12 VAL 12 -8.908 9.577 -0.909 86 3HG1 VAL 12 HG13 VAL 12 -7.664 9.870 0.306 87 1HG2 VAL 12 HG21 VAL 12 -7.306 6.380 -2.079 88 2HG2 VAL 12 HG22 VAL 12 -8.629 7.483 -2.456 89 3HG2 VAL 12 HG23 VAL 12 -8.640 6.578 -0.941 90 H HIS 13 HN HIS 13 -4.050 8.670 -1.333 91 HA HIS 13 HA HIS 13 -3.566 6.589 -3.333 92 1HB HIS 13 HB2 HIS 13 -1.717 8.287 -1.660 93 2HB HIS 13 HB1 HIS 13 -1.151 6.808 -2.433 94 HD1 HIS 13 HD1 HIS 13 -0.161 7.150 -4.648 95 HD2 HIS 13 HD2 HIS 13 -2.990 10.066 -3.756 96 HE1 HIS 13 HE1 HIS 13 -0.100 8.774 -6.572 97 HE2 HIS 13 HE2 HIS 13 -2.027 10.342 -6.139 98 H VAL 14 HN VAL 14 -3.405 4.534 -2.771 99 HA VAL 14 HA VAL 14 -3.789 3.905 0.068 100 HB VAL 14 HB VAL 14 -4.227 2.140 -2.354 101 1HG1 VAL 14 HG11 VAL 14 -5.399 0.663 -0.783 102 2HG1 VAL 14 HG12 VAL 14 -4.946 1.728 0.548 103 3HG1 VAL 14 HG13 VAL 14 -3.700 0.865 -0.353 104 1HG2 VAL 14 HG21 VAL 14 -6.223 3.621 -0.640 105 2HG2 VAL 14 HG22 VAL 14 -6.621 2.471 -1.918 106 3HG2 VAL 14 HG23 VAL 14 -5.812 3.986 -2.317 107 H VAL 15 HN VAL 15 -1.924 3.653 1.004 108 HA VAL 15 HA VAL 15 0.433 2.825 -0.310 109 HB VAL 15 HB VAL 15 0.599 4.304 1.571 110 1HG1 VAL 15 HG11 VAL 15 -0.660 2.115 3.209 111 2HG1 VAL 15 HG12 VAL 15 -1.360 3.687 2.823 112 3HG1 VAL 15 HG13 VAL 15 0.057 3.586 3.867 113 1HG2 VAL 15 HG21 VAL 15 2.483 2.803 1.237 114 2HG2 VAL 15 HG22 VAL 15 1.732 1.609 2.295 115 3HG2 VAL 15 HG23 VAL 15 2.261 3.158 2.950 116 H LEU 16 HN LEU 16 0.528 0.878 -1.152 117 HA LEU 16 HA LEU 16 -0.224 -1.387 0.554 118 1HB LEU 16 HB2 LEU 16 -1.104 -0.945 -1.925 119 2HB LEU 16 HB1 LEU 16 0.401 -1.744 -2.339 120 HG LEU 16 HG LEU 16 -1.909 -2.852 -0.774 121 1HD1 LEU 16 HD11 LEU 16 -0.573 -3.645 -3.347 122 2HD1 LEU 16 HD12 LEU 16 -2.226 -3.068 -3.120 123 3HD1 LEU 16 HD13 LEU 16 -1.746 -4.648 -2.494 124 1HD2 LEU 16 HD21 LEU 16 -0.576 -4.914 -0.531 125 2HD2 LEU 16 HD22 LEU 16 0.086 -3.555 0.378 126 3HD2 LEU 16 HD23 LEU 16 0.829 -4.047 -1.146 127 H LYS 17 HN LYS 17 1.421 -2.250 1.565 128 HA LYS 17 HA LYS 17 4.052 -2.173 0.276 129 1HB LYS 17 HB2 LYS 17 3.442 -2.717 3.194 130 2HB LYS 17 HB1 LYS 17 5.023 -2.464 2.470 131 1HG LYS 17 HG2 LYS 17 4.496 -0.162 1.995 132 2HG LYS 17 HG1 LYS 17 2.836 -0.398 2.549 133 1HD LYS 17 HD2 LYS 17 3.640 -0.886 4.789 134 2HD LYS 17 HD1 LYS 17 5.305 -0.709 4.242 135 1HE LYS 17 HE2 LYS 17 3.214 1.460 4.187 136 2HE LYS 17 HE1 LYS 17 4.449 1.289 5.429 137 1HZ LYS 17 HZ1 LYS 17 4.796 2.003 2.571 138 2HZ LYS 17 HZ2 LYS 17 6.091 1.479 3.522 139 3HZ LYS 17 HZ3 LYS 17 5.260 2.889 3.942 140 H LEU 18 HN LEU 18 5.125 -3.984 -0.184 141 HA LEU 18 HA LEU 18 3.627 -6.513 -0.065 142 1HB LEU 18 HB2 LEU 18 4.240 -6.277 -2.258 143 2HB LEU 18 HB1 LEU 18 5.581 -5.215 -1.879 144 HG LEU 18 HG LEU 18 6.837 -7.314 -1.138 145 1HD1 LEU 18 HD11 LEU 18 4.614 -8.623 -2.689 146 2HD1 LEU 18 HD12 LEU 18 4.989 -8.858 -0.983 147 3HD1 LEU 18 HD13 LEU 18 6.124 -9.399 -2.217 148 1HD2 LEU 18 HD21 LEU 18 6.074 -6.983 -4.032 149 2HD2 LEU 18 HD22 LEU 18 7.501 -7.823 -3.426 150 3HD2 LEU 18 HD23 LEU 18 7.329 -6.085 -3.177 151 H TRP 19 HN TRP 19 4.149 -7.754 1.613 152 HA TRP 19 HA TRP 19 6.804 -7.471 2.823 153 1HB TRP 19 HB2 TRP 19 4.444 -8.925 4.010 154 2HB TRP 19 HB1 TRP 19 5.854 -8.289 4.846 155 HD1 TRP 19 HD1 TRP 19 2.393 -7.419 3.791 156 HE1 TRP 19 HE1 TRP 19 1.799 -5.085 4.652 157 HE3 TRP 19 HE3 TRP 19 7.056 -5.840 5.086 158 HZ2 TRP 19 HZ2 TRP 19 3.124 -2.850 5.732 159 HZ3 TRP 19 HZ3 TRP 19 7.318 -3.564 5.994 160 HH2 TRP 19 HH2 TRP 19 5.407 -2.088 6.291 161 H LYS 20 HN LYS 20 7.195 -9.772 4.093 162 HA LYS 20 HA LYS 20 7.694 -11.622 1.951 163 1HB LYS 20 HB2 LYS 20 8.826 -12.965 3.706 164 2HB LYS 20 HB1 LYS 20 9.413 -11.315 3.617 165 1HG LYS 20 HG2 LYS 20 9.271 -11.665 5.887 166 2HG LYS 20 HG1 LYS 20 7.731 -10.870 5.550 167 1HD LYS 20 HD2 LYS 20 7.343 -12.751 7.010 168 2HD LYS 20 HD1 LYS 20 6.668 -13.123 5.421 169 1HE LYS 20 HE2 LYS 20 7.793 -15.083 6.058 170 2HE LYS 20 HE1 LYS 20 8.897 -14.280 4.942 171 1HZ LYS 20 HZ1 LYS 20 10.202 -14.966 6.747 172 2HZ LYS 20 HZ2 LYS 20 9.071 -14.432 7.891 173 3HZ LYS 20 HZ3 LYS 20 9.969 -13.306 7.001 174 H SER 21 HN SER 21 5.317 -11.204 4.383 175 HA SER 21 HA SER 21 4.387 -13.961 4.093 176 1HB SER 21 HB2 SER 21 4.680 -13.093 6.393 177 2HB SER 21 HB1 SER 21 3.508 -11.820 6.048 178 HG SER 21 HG SER 21 3.018 -14.624 5.992 179 H GLY 22 HN GLY 22 3.233 -10.613 3.907 180 1HA GLY 22 HA2 GLY 22 1.329 -11.370 1.872 181 2HA GLY 22 HA1 GLY 22 0.616 -10.849 3.391 182 H PHE 23 HN PHE 23 -0.346 -9.068 2.384 183 HA PHE 23 HA PHE 23 1.543 -6.878 1.836 184 1HB PHE 23 HB2 PHE 23 0.101 -6.075 0.029 185 2HB PHE 23 HB1 PHE 23 0.646 -7.715 -0.301 186 HD1 PHE 23 HD1 PHE 23 -0.951 -9.597 -0.127 187 HD2 PHE 23 HD2 PHE 23 -2.201 -5.562 0.396 188 HE1 PHE 23 HE1 PHE 23 -3.289 -10.282 -0.404 189 HE2 PHE 23 HE2 PHE 23 -4.536 -6.249 0.111 190 HZ PHE 23 HZ PHE 23 -5.083 -8.610 -0.288 191 H SER 24 HN SER 24 0.855 -4.823 2.461 192 HA SER 24 HA SER 24 -1.621 -4.761 4.055 193 1HB SER 24 HB2 SER 24 0.419 -4.818 5.494 194 2HB SER 24 HB1 SER 24 0.951 -3.322 4.726 195 HG SER 24 HG SER 24 -1.254 -2.558 5.432 196 H LEU 25 HN LEU 25 -2.821 -2.936 3.945 197 HA LEU 25 HA LEU 25 -1.959 -0.903 2.000 198 1HB LEU 25 HB2 LEU 25 -4.857 -1.469 2.414 199 2HB LEU 25 HB1 LEU 25 -4.027 -0.891 0.984 200 HG LEU 25 HG LEU 25 -3.052 -3.314 0.922 201 1HD1 LEU 25 HD11 LEU 25 -4.787 -4.965 1.690 202 2HD1 LEU 25 HD12 LEU 25 -5.453 -3.659 2.673 203 3HD1 LEU 25 HD13 LEU 25 -3.802 -4.218 2.949 204 1HD2 LEU 25 HD21 LEU 25 -5.121 -4.042 -0.353 205 2HD2 LEU 25 HD22 LEU 25 -4.302 -2.577 -0.890 206 3HD2 LEU 25 HD23 LEU 25 -5.779 -2.458 0.061 207 H ASP 26 HN ASP 26 -3.901 0.990 2.368 208 HA ASP 26 HA ASP 26 -3.576 1.806 5.119 209 1HB ASP 26 HB2 ASP 26 -3.602 3.493 3.306 210 2HB ASP 26 HB1 ASP 26 -5.274 3.062 2.948 211 H ASN 27 HN ASN 27 -6.022 0.457 3.065 212 HA ASN 27 HA ASN 27 -8.191 0.550 4.933 213 1HB ASN 27 HB2 ASN 27 -9.217 -1.073 3.243 214 2HB ASN 27 HB1 ASN 27 -8.748 0.507 2.597 215 1HD2 ASN 27 HD21 ASN 27 -7.887 -2.889 2.794 216 2HD2 ASN 27 HD22 ASN 27 -6.770 -2.886 1.463 217 H GLY 28 HN GLY 28 -6.041 -0.557 6.271 218 1HA GLY 28 HA2 GLY 28 -6.677 -2.529 7.794 219 2HA GLY 28 HA1 GLY 28 -6.547 -3.460 6.307 220 H GLU 29 HN GLU 29 -4.935 -4.663 7.516 221 HA GLU 29 HA GLU 29 -2.316 -3.365 7.286 222 1HB GLU 29 HB2 GLU 29 -3.218 -5.147 9.558 223 2HB GLU 29 HB1 GLU 29 -1.582 -4.531 9.337 224 1HG GLU 29 HG2 GLU 29 -2.345 -2.259 9.592 225 2HG GLU 29 HG1 GLU 29 -4.024 -2.808 9.655 226 H LEU 30 HN LEU 30 -0.777 -5.609 8.049 227 HA LEU 30 HA LEU 30 -0.427 -6.749 5.530 228 1HB LEU 30 HB2 LEU 30 1.279 -6.478 7.345 229 2HB LEU 30 HB1 LEU 30 0.578 -7.856 8.158 230 HG LEU 30 HG LEU 30 1.910 -7.912 5.449 231 1HD1 LEU 30 HD11 LEU 30 2.883 -8.712 8.161 232 2HD1 LEU 30 HD12 LEU 30 3.585 -7.525 7.052 233 3HD1 LEU 30 HD13 LEU 30 3.635 -9.243 6.658 234 1HD2 LEU 30 HD21 LEU 30 0.263 -9.658 5.630 235 2HD2 LEU 30 HD22 LEU 30 0.951 -10.156 7.175 236 3HD2 LEU 30 HD23 LEU 30 1.895 -10.323 5.695 237 H ARG 31 HN ARG 31 -1.495 -8.233 4.508 238 HA ARG 31 HA ARG 31 -2.832 -10.389 6.016 239 1HB ARG 31 HB2 ARG 31 -3.635 -9.181 3.359 240 2HB ARG 31 HB1 ARG 31 -4.463 -10.498 4.179 241 1HG ARG 31 HG2 ARG 31 -5.052 -9.019 6.009 242 2HG ARG 31 HG1 ARG 31 -4.158 -7.702 5.247 243 1HD ARG 31 HD2 ARG 31 -5.677 -7.648 3.403 244 2HD ARG 31 HD1 ARG 31 -6.496 -9.107 3.959 245 HE ARG 31 HE ARG 31 -6.497 -6.732 5.685 246 1HH1 ARG 31 HH11 ARG 31 -8.232 -8.994 3.661 247 2HH1 ARG 31 HH12 ARG 31 -9.801 -8.432 4.143 248 1HH2 ARG 31 HH21 ARG 31 -8.546 -5.978 6.318 249 2HH2 ARG 31 HH22 ARG 31 -9.980 -6.690 5.641 250 H SER 32 HN SER 32 -1.926 -12.317 5.671 251 HA SER 32 HA SER 32 0.358 -12.576 4.035 252 1HB SER 32 HB2 SER 32 -1.209 -14.859 5.232 253 2HB SER 32 HB1 SER 32 0.517 -14.793 4.868 254 HG SER 32 HG SER 32 0.857 -13.481 6.572 255 H TYR 33 HN TYR 33 0.748 -13.770 2.173 256 HA TYR 33 HA TYR 33 -1.320 -13.563 0.229 257 1HB TYR 33 HB2 TYR 33 1.443 -14.771 0.051 258 2HB TYR 33 HB1 TYR 33 0.382 -14.518 -1.327 259 HD1 TYR 33 HD1 TYR 33 3.173 -13.240 0.156 260 HD2 TYR 33 HD2 TYR 33 -0.640 -11.931 -1.206 261 HE1 TYR 33 HE1 TYR 33 4.055 -10.960 -0.093 262 HE2 TYR 33 HE2 TYR 33 0.229 -9.653 -1.462 263 HH TYR 33 HH TYR 33 2.095 -8.281 -0.453 264 H GLN 34 HN GLN 34 -1.576 -15.654 2.434 265 HA GLN 34 HA GLN 34 -2.192 -17.929 0.672 266 1HB GLN 34 HB2 GLN 34 -1.549 -17.881 3.623 267 2HB GLN 34 HB1 GLN 34 -2.134 -19.303 2.769 268 1HG GLN 34 HG2 GLN 34 0.432 -17.832 2.217 269 2HG GLN 34 HG1 GLN 34 0.270 -19.384 3.040 270 1HE2 GLN 34 HE21 GLN 34 1.696 -18.658 0.576 271 2HE2 GLN 34 HE22 GLN 34 1.073 -19.711 -0.648 272 H ASP 35 HN ASP 35 -3.328 -15.736 3.108 273 HA ASP 35 HA ASP 35 -5.758 -16.957 3.782 274 1HB ASP 35 HB2 ASP 35 -5.107 -15.296 5.252 275 2HB ASP 35 HB1 ASP 35 -4.655 -14.186 3.966 276 HA PRO 36 HA PRO 36 -7.974 -16.416 -0.031 277 1HB PRO 36 HB2 PRO 36 -10.327 -17.204 1.545 278 2HB PRO 36 HB1 PRO 36 -9.574 -18.014 0.170 279 1HG PRO 36 HG2 PRO 36 -9.412 -19.007 2.662 280 2HG PRO 36 HG1 PRO 36 -8.082 -19.170 1.497 281 1HD PRO 36 HD2 PRO 36 -8.382 -17.241 3.773 282 2HD PRO 36 HD1 PRO 36 -6.950 -18.153 3.250 283 H SER 37 HN SER 37 -8.488 -14.662 2.853 284 HA SER 37 HA SER 37 -10.774 -13.173 1.948 285 1HB SER 37 HB2 SER 37 -8.859 -12.347 4.129 286 2HB SER 37 HB1 SER 37 -10.570 -11.944 3.970 287 HG SER 37 HG SER 37 -9.343 -14.296 4.871 288 H ASN 38 HN ASN 38 -7.291 -12.475 2.323 289 HA ASN 38 HA ASN 38 -7.554 -9.939 0.999 290 1HB ASN 38 HB2 ASN 38 -5.172 -9.759 1.136 291 2HB ASN 38 HB1 ASN 38 -5.772 -10.399 2.654 292 1HD2 ASN 38 HD21 ASN 38 -5.062 -12.306 3.356 293 2HD2 ASN 38 HD22 ASN 38 -3.916 -13.290 2.509 294 H ALA 39 HN ALA 39 -7.208 -13.145 -0.003 295 HA ALA 39 HA ALA 39 -6.051 -12.967 -2.502 296 1HB ALA 39 HB1 ALA 39 -7.368 -14.886 -3.154 297 2HB ALA 39 HB2 ALA 39 -8.504 -14.591 -1.837 298 3HB ALA 39 HB3 ALA 39 -6.844 -15.069 -1.479 299 H GLN 40 HN GLN 40 -9.163 -11.759 -1.452 300 HA GLN 40 HA GLN 40 -10.348 -11.179 -3.918 301 1HB GLN 40 HB2 GLN 40 -11.542 -10.918 -1.799 302 2HB GLN 40 HB1 GLN 40 -10.448 -9.634 -1.315 303 1HG GLN 40 HG2 GLN 40 -11.905 -9.208 -3.848 304 2HG GLN 40 HG1 GLN 40 -12.876 -9.214 -2.379 305 1HE2 GLN 40 HE21 GLN 40 -10.476 -7.519 -4.229 306 2HE2 GLN 40 HE22 GLN 40 -10.430 -6.097 -3.243 307 H PHE 41 HN PHE 41 -8.161 -9.231 -1.915 308 HA PHE 41 HA PHE 41 -7.900 -7.046 -3.668 309 1HB PHE 41 HB2 PHE 41 -5.920 -8.148 -1.666 310 2HB PHE 41 HB1 PHE 41 -5.810 -6.571 -2.436 311 HD1 PHE 41 HD1 PHE 41 -7.557 -4.867 -1.960 312 HD2 PHE 41 HD2 PHE 41 -7.226 -8.483 0.259 313 HE1 PHE 41 HE1 PHE 41 -8.848 -3.862 -0.126 314 HE2 PHE 41 HE2 PHE 41 -8.522 -7.486 2.091 315 HZ PHE 41 HZ PHE 41 -9.332 -5.170 1.903 316 H LEU 42 HN LEU 42 -5.841 -9.897 -3.163 317 HA LEU 42 HA LEU 42 -3.872 -9.380 -5.008 318 1HB LEU 42 HB2 LEU 42 -5.078 -11.991 -4.132 319 2HB LEU 42 HB1 LEU 42 -3.691 -11.914 -5.201 320 HG LEU 42 HG LEU 42 -3.805 -10.819 -2.387 321 1HD1 LEU 42 HD11 LEU 42 -2.401 -13.237 -3.521 322 2HD1 LEU 42 HD12 LEU 42 -3.802 -13.259 -2.450 323 3HD1 LEU 42 HD13 LEU 42 -2.256 -12.642 -1.866 324 1HD2 LEU 42 HD21 LEU 42 -1.513 -10.996 -4.343 325 2HD2 LEU 42 HD22 LEU 42 -1.402 -10.460 -2.667 326 3HD2 LEU 42 HD23 LEU 42 -2.327 -9.516 -3.834 327 H GLU 43 HN GLU 43 -7.023 -10.917 -5.611 328 HA GLU 43 HA GLU 43 -6.439 -11.403 -8.357 329 1HB GLU 43 HB2 GLU 43 -8.107 -12.769 -7.258 330 2HB GLU 43 HB1 GLU 43 -9.091 -11.351 -6.914 331 1HG GLU 43 HG2 GLU 43 -9.579 -11.029 -9.214 332 2HG GLU 43 HG1 GLU 43 -8.390 -12.233 -9.699 333 H SER 44 HN SER 44 -8.445 -8.934 -6.711 334 HA SER 44 HA SER 44 -9.295 -7.591 -8.989 335 1HB SER 44 HB2 SER 44 -8.684 -6.487 -6.242 336 2HB SER 44 HB1 SER 44 -9.640 -5.668 -7.477 337 HG SER 44 HG SER 44 -11.021 -7.601 -7.404 338 H ILE 45 HN ILE 45 -6.362 -7.164 -7.054 339 HA ILE 45 HA ILE 45 -5.510 -4.833 -8.494 340 HB ILE 45 HB ILE 45 -3.870 -6.634 -6.693 341 1HG1 ILE 45 HG12 ILE 45 -5.338 -4.097 -5.967 342 2HG1 ILE 45 HG11 ILE 45 -5.971 -5.711 -5.663 343 1HG2 ILE 45 HG21 ILE 45 -2.488 -5.163 -8.026 344 2HG2 ILE 45 HG22 ILE 45 -2.502 -4.618 -6.348 345 3HG2 ILE 45 HG23 ILE 45 -3.472 -3.777 -7.556 346 1HD1 ILE 45 HD11 ILE 45 -4.978 -4.787 -3.668 347 2HD1 ILE 45 HD12 ILE 45 -3.449 -4.545 -4.512 348 3HD1 ILE 45 HD13 ILE 45 -4.049 -6.178 -4.226 349 H ARG 46 HN ARG 46 -4.976 -8.278 -8.708 350 HA ARG 46 HA ARG 46 -2.901 -8.276 -10.628 351 1HB ARG 46 HB2 ARG 46 -3.356 -10.275 -9.419 352 2HB ARG 46 HB1 ARG 46 -5.044 -10.262 -9.895 353 1HG ARG 46 HG2 ARG 46 -4.367 -10.736 -12.215 354 2HG ARG 46 HG1 ARG 46 -2.685 -10.823 -11.679 355 1HD ARG 46 HD2 ARG 46 -3.132 -12.703 -10.300 356 2HD ARG 46 HD1 ARG 46 -4.875 -12.510 -10.492 357 HE ARG 46 HE ARG 46 -3.410 -13.003 -12.945 358 1HH1 ARG 46 HH11 ARG 46 -5.108 -14.450 -10.238 359 2HH1 ARG 46 HH12 ARG 46 -5.540 -15.890 -11.107 360 1HH2 ARG 46 HH21 ARG 46 -3.990 -14.894 -14.090 361 2HH2 ARG 46 HH22 ARG 46 -4.902 -16.143 -13.297 362 H ARG 47 HN ARG 47 -6.443 -8.395 -10.941 363 HA ARG 47 HA ARG 47 -6.514 -8.635 -13.756 364 1HB ARG 47 HB2 ARG 47 -8.601 -7.292 -12.031 365 2HB ARG 47 HB1 ARG 47 -8.839 -8.000 -13.620 366 1HG ARG 47 HG2 ARG 47 -8.207 -9.470 -11.075 367 2HG ARG 47 HG1 ARG 47 -9.754 -9.434 -11.919 368 1HD ARG 47 HD2 ARG 47 -8.715 -10.539 -13.844 369 2HD ARG 47 HD1 ARG 47 -7.177 -10.585 -12.981 370 HE ARG 47 HE ARG 47 -9.116 -11.797 -11.377 371 1HH1 ARG 47 HH11 ARG 47 -7.423 -12.373 -14.382 372 2HH1 ARG 47 HH12 ARG 47 -7.582 -14.104 -14.293 373 1HH2 ARG 47 HH21 ARG 47 -9.312 -14.056 -11.224 374 2HH2 ARG 47 HH22 ARG 47 -8.690 -15.061 -12.507 375 H GLY 48 HN GLY 48 -6.354 -5.872 -11.610 376 1HA GLY 48 HA2 GLY 48 -5.337 -3.815 -12.475 377 2HA GLY 48 HA1 GLY 48 -6.226 -4.098 -13.970 378 H GLU 49 HN GLU 49 -8.050 -4.983 -11.323 379 HA GLU 49 HA GLU 49 -9.702 -2.597 -11.553 380 1HB GLU 49 HB2 GLU 49 -10.188 -5.163 -10.035 381 2HB GLU 49 HB1 GLU 49 -11.333 -3.844 -10.224 382 1HG GLU 49 HG2 GLU 49 -11.429 -4.242 -12.616 383 2HG GLU 49 HG1 GLU 49 -10.240 -5.536 -12.461 384 H VAL 50 HN VAL 50 -10.632 -1.724 -9.533 385 HA VAL 50 HA VAL 50 -8.598 -1.561 -7.456 386 HB VAL 50 HB VAL 50 -9.295 0.552 -8.424 387 1HG1 VAL 50 HG11 VAL 50 -12.061 -0.152 -7.480 388 2HG1 VAL 50 HG12 VAL 50 -11.524 0.041 -9.148 389 3HG1 VAL 50 HG13 VAL 50 -11.568 1.436 -8.070 390 1HG2 VAL 50 HG21 VAL 50 -8.603 0.537 -6.098 391 2HG2 VAL 50 HG22 VAL 50 -10.258 0.197 -5.589 392 3HG2 VAL 50 HG23 VAL 50 -9.867 1.741 -6.348 393 HA PRO 51 HA PRO 51 -11.037 -4.421 -5.001 394 1HB PRO 51 HB2 PRO 51 -9.288 -3.204 -2.925 395 2HB PRO 51 HB1 PRO 51 -9.607 -4.901 -3.265 396 1HG PRO 51 HG2 PRO 51 -7.318 -3.767 -3.959 397 2HG PRO 51 HG1 PRO 51 -8.096 -4.983 -4.985 398 1HD PRO 51 HD2 PRO 51 -7.919 -2.034 -5.337 399 2HD PRO 51 HD1 PRO 51 -7.959 -3.318 -6.562 400 H ALA 52 HN ALA 52 -12.850 -4.127 -3.867 401 HA ALA 52 HA ALA 52 -14.043 -1.617 -3.767 402 1HB ALA 52 HB1 ALA 52 -14.837 -4.146 -2.336 403 2HB ALA 52 HB2 ALA 52 -15.330 -3.660 -3.959 404 3HB ALA 52 HB3 ALA 52 -15.863 -2.729 -2.559 405 H GLU 53 HN GLU 53 -12.158 -3.297 -1.357 406 HA GLU 53 HA GLU 53 -13.014 -1.891 0.907 407 1HB GLU 53 HB2 GLU 53 -10.328 -3.106 0.273 408 2HB GLU 53 HB1 GLU 53 -10.783 -2.492 1.857 409 1HG GLU 53 HG2 GLU 53 -12.187 -4.707 0.385 410 2HG GLU 53 HG1 GLU 53 -11.006 -4.927 1.677 411 H LEU 54 HN LEU 54 -10.598 -1.076 -1.541 412 HA LEU 54 HA LEU 54 -9.848 1.322 -0.084 413 1HB LEU 54 HB2 LEU 54 -8.682 1.524 -2.584 414 2HB LEU 54 HB1 LEU 54 -7.904 0.967 -1.123 415 HG LEU 54 HG LEU 54 -9.305 -0.940 -2.988 416 1HD1 LEU 54 HD11 LEU 54 -7.671 0.258 -4.295 417 2HD1 LEU 54 HD12 LEU 54 -7.043 -1.348 -3.923 418 3HD1 LEU 54 HD13 LEU 54 -6.463 0.059 -3.027 419 1HD2 LEU 54 HD21 LEU 54 -8.822 -1.839 -0.803 420 2HD2 LEU 54 HD22 LEU 54 -7.175 -1.214 -0.869 421 3HD2 LEU 54 HD23 LEU 54 -7.666 -2.510 -1.958 422 H ARG 55 HN ARG 55 -11.592 0.338 -2.958 423 HA ARG 55 HA ARG 55 -12.066 2.906 -4.001 424 1HB ARG 55 HB2 ARG 55 -12.394 0.664 -5.164 425 2HB ARG 55 HB1 ARG 55 -13.908 0.525 -4.285 426 1HG ARG 55 HG2 ARG 55 -13.259 2.824 -6.117 427 2HG ARG 55 HG1 ARG 55 -14.094 1.361 -6.641 428 1HD ARG 55 HD2 ARG 55 -15.928 1.787 -5.221 429 2HD ARG 55 HD1 ARG 55 -15.047 3.037 -4.344 430 HE ARG 55 HE ARG 55 -15.954 3.312 -7.146 431 1HH1 ARG 55 HH11 ARG 55 -15.251 4.698 -3.994 432 2HH1 ARG 55 HH12 ARG 55 -15.930 6.242 -4.393 433 1HH2 ARG 55 HH21 ARG 55 -16.817 5.340 -7.669 434 2HH2 ARG 55 HH22 ARG 55 -16.837 6.609 -6.481 435 H ARG 56 HN ARG 56 -13.927 0.867 -1.770 436 HA ARG 56 HA ARG 56 -15.840 2.979 -1.295 437 1HB ARG 56 HB2 ARG 56 -15.539 0.265 0.002 438 2HB ARG 56 HB1 ARG 56 -16.869 1.380 0.287 439 1HG ARG 56 HG2 ARG 56 -16.192 0.262 -2.420 440 2HG ARG 56 HG1 ARG 56 -17.355 -0.478 -1.319 441 1HD ARG 56 HD2 ARG 56 -18.763 1.447 -1.399 442 2HD ARG 56 HD1 ARG 56 -17.542 2.374 -2.269 443 HE ARG 56 HE ARG 56 -18.178 1.354 -4.231 444 1HH1 ARG 56 HH11 ARG 56 -19.665 -0.353 -1.543 445 2HH1 ARG 56 HH12 ARG 56 -20.774 -1.221 -2.554 446 1HH2 ARG 56 HH21 ARG 56 -19.636 0.221 -5.540 447 2HH2 ARG 56 HH22 ARG 56 -20.758 -0.907 -4.830 448 H LEU 57 HN LEU 57 -12.887 3.108 -0.584 449 HA LEU 57 HA LEU 57 -13.273 3.998 2.199 450 1HB LEU 57 HB2 LEU 57 -11.424 2.332 1.764 451 2HB LEU 57 HB1 LEU 57 -10.655 3.545 0.761 452 HG LEU 57 HG LEU 57 -11.280 4.132 3.642 453 1HD1 LEU 57 HD11 LEU 57 -8.830 2.737 2.580 454 2HD1 LEU 57 HD12 LEU 57 -10.043 2.047 3.659 455 3HD1 LEU 57 HD13 LEU 57 -9.021 3.374 4.212 456 1HD2 LEU 57 HD21 LEU 57 -10.610 5.986 2.187 457 2HD2 LEU 57 HD22 LEU 57 -9.134 5.115 1.762 458 3HD2 LEU 57 HD23 LEU 57 -9.393 5.655 3.422 459 H ALA 58 HN ALA 58 -11.601 4.821 -0.839 460 HA ALA 58 HA ALA 58 -11.437 7.584 -0.406 461 1HB ALA 58 HB1 ALA 58 -11.249 7.865 -2.789 462 2HB ALA 58 HB2 ALA 58 -11.885 6.245 -3.072 463 3HB ALA 58 HB3 ALA 58 -10.312 6.453 -2.299 464 H HIS 59 HN HIS 59 -12.882 9.114 -0.289 465 HA HIS 59 HA HIS 59 -15.689 8.418 -0.797 466 1HB HIS 59 HB2 HIS 59 -14.363 10.454 0.962 467 2HB HIS 59 HB1 HIS 59 -16.060 10.605 0.532 468 HD1 HIS 59 HD1 HIS 59 -16.126 10.354 3.289 469 HD2 HIS 59 HD2 HIS 59 -15.334 6.955 1.030 470 HE1 HIS 59 HE1 HIS 59 -16.599 8.400 4.808 471 HE2 HIS 59 HE2 HIS 59 -16.267 6.359 3.373 472 H GLY 60 HN GLY 60 -13.191 10.180 -2.175 473 1HA GLY 60 HA2 GLY 60 -14.951 12.197 -3.359 474 2HA GLY 60 HA1 GLY 60 -13.195 12.142 -3.497 475 H GLY 61 HN GLY 61 -12.648 9.739 -4.421 476 1HA GLY 61 HA2 GLY 61 -14.071 8.464 -6.303 477 2HA GLY 61 HA1 GLY 61 -13.621 9.920 -7.148 478 H GLN 62 HN GLN 62 -11.217 10.419 -6.810 479 HA GLN 62 HA GLN 62 -9.757 8.432 -8.092 480 1HB GLN 62 HB2 GLN 62 -9.376 10.822 -8.214 481 2HB GLN 62 HB1 GLN 62 -8.854 10.847 -6.540 482 1HG GLN 62 HG2 GLN 62 -6.865 9.718 -6.990 483 2HG GLN 62 HG1 GLN 62 -7.452 9.112 -8.542 484 1HE2 GLN 62 HE21 GLN 62 -7.888 12.416 -7.537 485 2HE2 GLN 62 HE22 GLN 62 -6.800 13.118 -8.679 486 H VAL 63 HN VAL 63 -9.344 6.548 -7.198 487 HA VAL 63 HA VAL 63 -7.992 6.542 -4.588 488 HB VAL 63 HB VAL 63 -10.092 5.509 -4.181 489 1HG1 VAL 63 HG11 VAL 63 -9.635 3.760 -6.594 490 2HG1 VAL 63 HG12 VAL 63 -10.774 5.101 -6.494 491 3HG1 VAL 63 HG13 VAL 63 -11.006 3.670 -5.489 492 1HG2 VAL 63 HG21 VAL 63 -9.476 3.213 -3.597 493 2HG2 VAL 63 HG22 VAL 63 -8.195 4.356 -3.190 494 3HG2 VAL 63 HG23 VAL 63 -8.046 3.337 -4.623 495 H ASN 64 HN ASN 64 -5.911 6.363 -5.162 496 HA ASN 64 HA ASN 64 -5.198 4.460 -7.289 497 1HB ASN 64 HB2 ASN 64 -4.605 6.831 -7.701 498 2HB ASN 64 HB1 ASN 64 -3.618 6.825 -6.245 499 1HD2 ASN 64 HD21 ASN 64 -1.822 7.386 -7.549 500 2HD2 ASN 64 HD22 ASN 64 -0.997 6.194 -8.493 501 H LEU 65 HN LEU 65 -3.841 2.813 -6.858 502 HA LEU 65 HA LEU 65 -2.999 2.520 -4.063 503 1HB LEU 65 HB2 LEU 65 -4.546 0.821 -4.845 504 2HB LEU 65 HB1 LEU 65 -3.518 0.462 -6.214 505 HG LEU 65 HG LEU 65 -2.426 0.075 -3.458 506 1HD1 LEU 65 HD11 LEU 65 -4.319 -1.814 -4.866 507 2HD1 LEU 65 HD12 LEU 65 -4.632 -0.949 -3.361 508 3HD1 LEU 65 HD13 LEU 65 -3.381 -2.189 -3.420 509 1HD2 LEU 65 HD21 LEU 65 -0.968 -0.245 -5.397 510 2HD2 LEU 65 HD22 LEU 65 -2.106 -1.411 -6.073 511 3HD2 LEU 65 HD23 LEU 65 -1.259 -1.776 -4.569 512 H ASP 66 HN ASP 66 -0.916 2.464 -3.565 513 HA ASP 66 HA ASP 66 1.050 2.321 -5.760 514 1HB ASP 66 HB2 ASP 66 1.131 3.783 -3.118 515 2HB ASP 66 HB1 ASP 66 2.571 3.509 -4.091 516 H MET 67 HN MET 67 2.689 0.845 -5.620 517 HA MET 67 HA MET 67 2.496 -1.020 -3.362 518 1HB MET 67 HB2 MET 67 3.385 -1.405 -6.203 519 2HB MET 67 HB1 MET 67 3.843 -2.545 -4.948 520 1HG MET 67 HG2 MET 67 1.432 -2.886 -4.453 521 2HG MET 67 HG1 MET 67 1.051 -1.849 -5.827 522 1HE MET 67 HE1 MET 67 0.171 -5.000 -5.275 523 2HE MET 67 HE2 MET 67 0.216 -5.580 -6.941 524 3HE MET 67 HE3 MET 67 -0.471 -3.998 -6.575 525 H GLU 68 HN GLU 68 4.086 -1.313 -2.016 526 HA GLU 68 HA GLU 68 6.798 -0.356 -2.699 527 1HB GLU 68 HB2 GLU 68 5.460 -0.655 -0.007 528 2HB GLU 68 HB1 GLU 68 7.155 -0.260 -0.232 529 1HG GLU 68 HG2 GLU 68 6.546 1.820 -1.308 530 2HG GLU 68 HG1 GLU 68 4.835 1.410 -1.153 531 H ASP 69 HN ASP 69 8.561 -1.708 -1.866 532 HA ASP 69 HA ASP 69 7.710 -4.494 -1.426 533 1HB ASP 69 HB2 ASP 69 9.869 -5.185 -2.398 534 2HB ASP 69 HB1 ASP 69 8.915 -4.241 -3.533 535 H HIS 70 HN HIS 70 7.871 -5.026 0.626 536 HA HIS 70 HA HIS 70 10.307 -4.335 2.110 537 1HB HIS 70 HB2 HIS 70 7.494 -3.971 3.171 538 2HB HIS 70 HB1 HIS 70 8.950 -3.881 4.150 539 HD1 HIS 70 HD1 HIS 70 10.404 -1.742 3.914 540 HD2 HIS 70 HD2 HIS 70 6.906 -1.727 1.673 541 HE1 HIS 70 HE1 HIS 70 10.011 0.658 3.286 542 HE2 HIS 70 HE2 HIS 70 7.994 0.625 1.761 543 H ARG 71 HN ARG 71 10.343 -6.666 1.183 544 HA ARG 71 HA ARG 71 8.659 -8.546 2.541 545 1HB ARG 71 HB2 ARG 71 10.946 -8.926 0.616 546 2HB ARG 71 HB1 ARG 71 9.993 -10.249 1.282 547 1HG ARG 71 HG2 ARG 71 7.994 -9.380 0.261 548 2HG ARG 71 HG1 ARG 71 8.867 -7.961 -0.317 549 1HD ARG 71 HD2 ARG 71 8.576 -9.561 -2.118 550 2HD ARG 71 HD1 ARG 71 10.283 -9.423 -1.699 551 HE ARG 71 HE ARG 71 9.439 -11.537 -0.216 552 1HH1 ARG 71 HH11 ARG 71 9.239 -10.767 -3.640 553 2HH1 ARG 71 HH12 ARG 71 9.292 -12.436 -4.129 554 1HH2 ARG 71 HH21 ARG 71 9.501 -13.711 -0.875 555 2HH2 ARG 71 HH22 ARG 71 9.429 -14.097 -2.576 556 H ASP 72 HN ASP 72 12.151 -7.922 2.471 557 HA ASP 72 HA ASP 72 12.706 -9.687 4.641 558 1HB ASP 72 HB2 ASP 72 14.378 -9.047 2.917 559 2HB ASP 72 HB1 ASP 72 14.374 -7.406 3.553 560 H GLU 73 HN GLU 73 11.553 -6.498 4.372 561 HA GLU 73 HA GLU 73 12.358 -5.436 6.869 562 1HB GLU 73 HB2 GLU 73 10.233 -4.770 4.857 563 2HB GLU 73 HB1 GLU 73 10.303 -3.922 6.387 564 1HG GLU 73 HG2 GLU 73 11.414 -2.655 4.653 565 2HG GLU 73 HG1 GLU 73 12.576 -3.178 5.870 566 H ASP 74 HN ASP 74 9.619 -7.322 5.801 567 HA ASP 74 HA ASP 74 7.685 -8.007 6.677 568 1HB ASP 74 HB2 ASP 74 7.666 -9.133 8.711 569 2HB ASP 74 HB1 ASP 74 9.335 -9.238 8.185 570 H PHE 75 HN PHE 75 6.117 -7.594 8.754 571 HA PHE 75 HA PHE 75 4.930 -5.249 7.856 572 1HB PHE 75 HB2 PHE 75 3.694 -7.130 8.756 573 2HB PHE 75 HB1 PHE 75 4.361 -6.833 10.354 574 HD1 PHE 75 HD1 PHE 75 3.072 -5.715 11.862 575 HD2 PHE 75 HD2 PHE 75 2.401 -5.013 7.710 576 HE1 PHE 75 HE1 PHE 75 1.117 -4.329 12.408 577 HE2 PHE 75 HE2 PHE 75 0.429 -3.667 8.255 578 HZ PHE 75 HZ PHE 75 -0.201 -3.302 10.606 579 H VAL 76 HN VAL 76 4.903 -3.232 8.418 580 HA VAL 76 HA VAL 76 5.589 -2.385 11.100 581 HB VAL 76 HB VAL 76 7.722 -2.269 9.852 582 1HG1 VAL 76 HG11 VAL 76 8.081 -0.620 8.109 583 2HG1 VAL 76 HG12 VAL 76 6.367 -0.209 8.136 584 3HG1 VAL 76 HG13 VAL 76 6.881 -1.816 7.617 585 1HG2 VAL 76 HG21 VAL 76 7.326 -0.764 11.716 586 2HG2 VAL 76 HG22 VAL 76 6.563 0.398 10.633 587 3HG2 VAL 76 HG23 VAL 76 8.282 0.042 10.473 588 H LYS 77 HN LYS 77 4.714 -1.386 7.837 589 HA LYS 77 HA LYS 77 3.072 -0.131 6.984 590 1HB LYS 77 HB2 LYS 77 1.934 -1.188 9.424 591 2HB LYS 77 HB1 LYS 77 1.234 0.368 8.993 592 1HG LYS 77 HG2 LYS 77 1.062 -0.680 6.626 593 2HG LYS 77 HG1 LYS 77 1.187 -2.199 7.502 594 1HD LYS 77 HD2 LYS 77 -1.117 -1.836 7.400 595 2HD LYS 77 HD1 LYS 77 -0.689 -1.214 8.997 596 1HE LYS 77 HE2 LYS 77 -0.659 1.039 8.176 597 2HE LYS 77 HE1 LYS 77 -0.870 0.478 6.518 598 1HZ LYS 77 HZ1 LYS 77 -2.864 0.255 8.718 599 2HZ LYS 77 HZ2 LYS 77 -3.077 -0.350 7.150 600 3HZ LYS 77 HZ3 LYS 77 -2.938 1.322 7.404 601 HA PRO 78 HA PRO 78 3.459 4.171 8.139 602 1HB PRO 78 HB2 PRO 78 0.689 4.557 7.207 603 2HB PRO 78 HB1 PRO 78 2.189 5.220 6.547 604 1HG PRO 78 HG2 PRO 78 0.820 3.338 5.221 605 2HG PRO 78 HG1 PRO 78 2.597 3.335 5.243 606 1HD PRO 78 HD2 PRO 78 0.699 1.743 6.939 607 2HD PRO 78 HD1 PRO 78 2.109 1.157 6.026 608 H LYS 79 HN LYS 79 0.041 3.254 8.552 609 HA LYS 79 HA LYS 79 -1.426 3.508 10.243 610 1HB LYS 79 HB2 LYS 79 0.954 2.573 11.851 611 2HB LYS 79 HB1 LYS 79 -0.716 2.556 12.407 612 1HG LYS 79 HG2 LYS 79 -1.282 1.036 10.547 613 2HG LYS 79 HG1 LYS 79 0.421 1.008 10.085 614 1HD LYS 79 HD2 LYS 79 -0.078 -0.954 11.381 615 2HD LYS 79 HD1 LYS 79 0.964 0.109 12.327 616 1HE LYS 79 HE2 LYS 79 -0.878 0.848 13.658 617 2HE LYS 79 HE1 LYS 79 -2.035 0.044 12.598 618 1HZ LYS 79 HZ1 LYS 79 0.019 -1.341 14.239 619 2HZ LYS 79 HZ2 LYS 79 -1.168 -2.085 13.271 620 3HZ LYS 79 HZ3 LYS 79 -1.623 -1.198 14.650 621 H GLY 80 HN GLY 80 0.832 4.255 12.752 622 1HA GLY 80 HA2 GLY 80 -0.025 7.084 12.606 623 2HA GLY 80 HA1 GLY 80 0.154 6.203 14.119 624 H ALA 81 HN ALA 81 2.501 5.246 11.991 625 HA ALA 81 HA ALA 81 4.481 6.976 13.311 626 1HB ALA 81 HB1 ALA 81 4.874 4.314 11.944 627 2HB ALA 81 HB2 ALA 81 4.730 4.562 13.685 628 3HB ALA 81 HB3 ALA 81 6.106 5.234 12.810 629 H PHE 82 HN PHE 82 3.474 5.669 10.187 630 HA PHE 82 HA PHE 82 4.014 6.196 8.034 631 1HB PHE 82 HB2 PHE 82 4.364 8.960 9.221 632 2HB PHE 82 HB1 PHE 82 4.170 8.599 7.510 633 HD1 PHE 82 HD1 PHE 82 2.514 9.249 10.615 634 HD2 PHE 82 HD2 PHE 82 1.990 7.571 6.738 635 HE1 PHE 82 HE1 PHE 82 0.074 9.451 10.862 636 HE2 PHE 82 HE2 PHE 82 -0.453 7.767 6.979 637 HZ PHE 82 HZ PHE 82 -1.413 8.709 9.043 638 H LYS 83 HN LYS 83 6.038 4.920 9.012 639 HA LYS 83 HA LYS 83 8.398 6.387 9.455 640 1HB LYS 83 HB2 LYS 83 9.551 4.250 9.483 641 2HB LYS 83 HB1 LYS 83 8.067 4.172 10.412 642 1HG LYS 83 HG2 LYS 83 7.903 2.193 9.333 643 2HG LYS 83 HG1 LYS 83 7.141 3.207 8.105 644 1HD LYS 83 HD2 LYS 83 8.833 1.643 7.182 645 2HD LYS 83 HD1 LYS 83 9.201 3.337 6.861 646 1HE LYS 83 HE2 LYS 83 11.231 2.241 7.494 647 2HE LYS 83 HE1 LYS 83 10.750 3.304 8.812 648 1HZ LYS 83 HZ1 LYS 83 11.464 1.233 9.725 649 2HZ LYS 83 HZ2 LYS 83 10.454 0.350 8.696 650 3HZ LYS 83 HZ3 LYS 83 9.786 1.313 9.916 651 H ALA 84 HN ALA 84 7.113 4.829 6.560 652 HA ALA 84 HA ALA 84 8.665 6.479 4.852 653 1HB ALA 84 HB1 ALA 84 10.461 4.957 5.516 654 2HB ALA 84 HB2 ALA 84 10.060 4.766 3.809 655 3HB ALA 84 HB3 ALA 84 9.495 3.581 4.986 656 H PHE 85 HN PHE 85 8.263 6.101 2.628 657 HA PHE 85 HA PHE 85 6.217 4.134 1.961 658 1HB PHE 85 HB2 PHE 85 5.132 5.942 0.493 659 2HB PHE 85 HB1 PHE 85 4.837 6.026 2.224 660 HD1 PHE 85 HD1 PHE 85 6.573 7.584 -0.611 661 HD2 PHE 85 HD2 PHE 85 5.683 7.843 3.543 662 HE1 PHE 85 HE1 PHE 85 7.354 9.916 -0.591 663 HE2 PHE 85 HE2 PHE 85 6.468 10.173 3.567 664 HZ PHE 85 HZ PHE 85 7.304 11.210 1.500 665 H THR 86 HN THR 86 8.802 3.733 1.495 666 HA THR 86 HA THR 86 9.419 4.627 -1.215 667 HB THR 86 HB THR 86 11.649 3.485 -0.721 668 HG1 THR 86 HG1 THR 86 11.332 2.226 1.029 669 1HG2 THR 86 HG21 THR 86 12.455 5.358 0.641 670 2HG2 THR 86 HG22 THR 86 10.791 5.787 1.035 671 3HG2 THR 86 HG23 THR 86 11.361 5.911 -0.628 672 H GLY 87 HN GLY 87 9.121 3.348 -2.909 673 1HA GLY 87 HA2 GLY 87 9.169 0.424 -2.486 674 2HA GLY 87 HA1 GLY 87 7.983 1.187 -3.542 675 H GLU 88 HN GLU 88 10.114 -0.804 -4.106 676 HA GLU 88 HA GLU 88 11.345 -1.329 -5.946 677 1HB GLU 88 HB2 GLU 88 9.997 0.132 -7.335 678 2HB GLU 88 HB1 GLU 88 10.879 1.542 -6.774 679 1HG GLU 88 HG2 GLU 88 11.593 0.954 -8.993 680 2HG GLU 88 HG1 GLU 88 12.908 0.686 -7.852 681 H GLY 89 HN GLY 89 12.115 1.742 -4.389 682 1HA GLY 89 HA2 GLY 89 14.937 0.875 -4.351 683 2HA GLY 89 HA1 GLY 89 14.476 2.555 -4.587 684 H GLN 90 HN GLN 90 14.824 -0.040 -2.317 685 HA GLN 90 HA GLN 90 13.935 1.565 -0.070 686 1HB GLN 90 HB2 GLN 90 15.376 -1.100 -0.083 687 2HB GLN 90 HB1 GLN 90 14.578 -0.356 1.297 688 1HG GLN 90 HG2 GLN 90 13.293 -1.426 -1.200 689 2HG GLN 90 HG1 GLN 90 13.155 -2.060 0.439 690 1HE2 GLN 90 HE21 GLN 90 11.107 -1.132 -1.462 691 2HE2 GLN 90 HE22 GLN 90 10.231 0.115 -0.624 692 H LYS 91 HN LYS 91 16.844 0.642 -1.688 693 HA LYS 91 HA LYS 91 18.400 2.409 0.079 694 1HB LYS 91 HB2 LYS 91 19.212 0.060 -0.144 695 2HB LYS 91 HB1 LYS 91 19.377 0.310 -1.874 696 1HG LYS 91 HG2 LYS 91 21.060 2.039 -1.460 697 2HG LYS 91 HG1 LYS 91 20.901 1.767 0.278 698 1HD LYS 91 HD2 LYS 91 21.588 -0.579 -0.056 699 2HD LYS 91 HD1 LYS 91 21.808 -0.251 -1.774 700 1HE LYS 91 HE2 LYS 91 23.946 -0.169 -0.676 701 2HE LYS 91 HE1 LYS 91 23.501 1.455 -1.192 702 1HZ LYS 91 HZ1 LYS 91 22.849 1.988 1.049 703 2HZ LYS 91 HZ2 LYS 91 24.432 1.378 1.065 704 3HZ LYS 91 HZ3 LYS 91 23.148 0.399 1.563 705 H LEU 92 HN LEU 92 17.649 4.308 -0.937 706 HA LEU 92 HA LEU 92 18.088 4.512 -3.827 707 1HB LEU 92 HB2 LEU 92 16.624 6.601 -3.554 708 2HB LEU 92 HB1 LEU 92 15.867 5.027 -3.439 709 HG LEU 92 HG LEU 92 15.997 5.263 -0.923 710 1HD1 LEU 92 HD11 LEU 92 17.699 7.003 -0.796 711 2HD1 LEU 92 HD12 LEU 92 16.206 7.521 -0.015 712 3HD1 LEU 92 HD13 LEU 92 16.621 8.130 -1.617 713 1HD2 LEU 92 HD21 LEU 92 13.937 5.587 -2.174 714 2HD2 LEU 92 HD22 LEU 92 14.359 7.276 -2.453 715 3HD2 LEU 92 HD23 LEU 92 14.033 6.707 -0.816 716 H GLY 93 HN GLY 93 20.092 4.905 -1.571 717 1HA GLY 93 HA2 GLY 93 21.003 7.563 -2.475 718 2HA GLY 93 HA1 GLY 93 21.188 7.029 -0.810 719 H SER 94 HN SER 94 21.957 5.890 -4.097 720 HA SER 94 HA SER 94 24.634 5.181 -3.099 721 1HB SER 94 HB2 SER 94 22.934 3.702 -5.117 722 2HB SER 94 HB1 SER 94 24.623 3.326 -4.769 723 HG SER 94 HG SER 94 23.681 3.280 -2.451 724 H THR 95 HN THR 95 26.099 4.779 -5.170 725 HA THR 95 HA THR 95 27.410 5.869 -6.647 726 HB THR 95 HB THR 95 26.146 6.816 -8.688 727 HG1 THR 95 HG1 THR 95 24.091 6.603 -7.167 728 1HG2 THR 95 HG21 THR 95 27.286 4.681 -8.693 729 2HG2 THR 95 HG22 THR 95 25.739 4.531 -9.528 730 3HG2 THR 95 HG23 THR 95 25.918 3.918 -7.884 731 H ALA 96 HN ALA 96 28.159 7.407 -5.243 732 HA ALA 96 HA ALA 96 27.707 10.127 -5.977 733 1HB ALA 96 HB1 ALA 96 26.809 9.312 -3.206 734 2HB ALA 96 HB2 ALA 96 25.743 9.806 -4.521 735 3HB ALA 96 HB3 ALA 96 26.888 10.958 -3.837 736 HA PRO 97 HA PRO 97 31.939 9.196 -4.576 737 1HB PRO 97 HB2 PRO 97 32.531 11.658 -6.087 738 2HB PRO 97 HB1 PRO 97 33.203 10.034 -6.270 739 1HG PRO 97 HG2 PRO 97 31.505 11.050 -8.074 740 2HG PRO 97 HG1 PRO 97 31.482 9.330 -7.641 741 1HD PRO 97 HD2 PRO 97 29.665 11.538 -6.735 742 2HD PRO 97 HD1 PRO 97 29.263 9.875 -7.218 743 H GLN 98 HN GLN 98 31.362 9.748 -2.431 744 HA GLN 98 HA GLN 98 32.335 12.402 -1.630 745 1HB GLN 98 HB2 GLN 98 29.854 10.998 -0.608 746 2HB GLN 98 HB1 GLN 98 30.606 12.357 0.215 747 1HG GLN 98 HG2 GLN 98 29.596 12.479 -2.615 748 2HG GLN 98 HG1 GLN 98 28.629 12.918 -1.208 749 1HE2 GLN 98 HE21 GLN 98 31.319 13.790 -3.229 750 2HE2 GLN 98 HE22 GLN 98 31.495 15.411 -2.639 751 H VAL 99 HN VAL 99 31.886 11.788 1.188 752 HA VAL 99 HA VAL 99 34.181 10.213 1.747 753 HB VAL 99 HB VAL 99 31.941 10.958 3.640 754 1HG1 VAL 99 HG11 VAL 99 34.788 10.112 4.154 755 2HG1 VAL 99 HG12 VAL 99 33.333 9.180 4.512 756 3HG1 VAL 99 HG13 VAL 99 33.656 10.680 5.383 757 1HG2 VAL 99 HG21 VAL 99 34.512 12.418 3.038 758 2HG2 VAL 99 HG22 VAL 99 33.351 12.850 4.292 759 3HG2 VAL 99 HG23 VAL 99 32.890 12.946 2.593 760 H LEU 100 HN LEU 100 30.696 9.627 1.949 761 HA LEU 100 HA LEU 100 31.242 6.757 2.268 762 1HB LEU 100 HB2 LEU 100 28.772 8.397 2.806 763 2HB LEU 100 HB1 LEU 100 28.741 6.647 2.750 764 HG LEU 100 HG LEU 100 30.507 6.711 4.598 765 1HD1 LEU 100 HD11 LEU 100 31.150 9.047 4.376 766 2HD1 LEU 100 HD12 LEU 100 30.519 8.716 5.990 767 3HD1 LEU 100 HD13 LEU 100 29.515 9.548 4.803 768 1HD2 LEU 100 HD21 LEU 100 27.735 7.755 5.165 769 2HD2 LEU 100 HD22 LEU 100 28.807 6.971 6.326 770 3HD2 LEU 100 HD23 LEU 100 28.181 6.060 4.951 771 H SER 101 HN SER 101 29.934 5.258 1.065 772 HA SER 101 HA SER 101 28.808 4.406 -0.695 773 1HB SER 101 HB2 SER 101 27.119 6.117 -0.488 774 2HB SER 101 HB1 SER 101 28.142 7.289 -1.316 775 HG SER 101 HG SER 101 27.920 6.119 -3.209 776 H THR 102 HN THR 102 29.920 7.377 -2.304 777 HA THR 102 HA THR 102 30.862 7.624 -4.349 778 HB THR 102 HB THR 102 32.644 5.357 -3.414 779 HG1 THR 102 HG1 THR 102 32.930 6.966 -1.952 780 1HG2 THR 102 HG21 THR 102 34.299 6.363 -4.966 781 2HG2 THR 102 HG22 THR 102 33.051 7.468 -5.547 782 3HG2 THR 102 HG23 THR 102 32.886 5.730 -5.807 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -21.385 3.342 10.605 2 2H GLY 1 HT2 GLY 1 -21.330 3.902 9.007 3 3H GLY 1 HT3 GLY 1 -19.994 3.096 9.673 4 1HA GLY 1 HA1 GLY 1 -21.121 1.042 9.735 5 2HA GLY 1 HA2 GLY 1 -22.644 1.828 9.341 6 H SER 2 HN SER 2 -23.092 0.775 7.456 7 HA SER 2 HA SER 2 -21.358 1.490 5.209 8 1HB SER 2 HB2 SER 2 -22.510 -1.259 5.726 9 2HB SER 2 HB1 SER 2 -21.719 -0.767 4.230 10 HG SER 2 HG SER 2 -20.615 -1.184 6.781 11 H GLU 3 HN GLU 3 -22.487 2.528 3.699 12 HA GLU 3 HA GLU 3 -25.218 1.666 3.134 13 1HB GLU 3 HB2 GLU 3 -25.433 3.582 4.667 14 2HB GLU 3 HB1 GLU 3 -24.433 4.552 3.593 15 1HG GLU 3 HG2 GLU 3 -26.128 4.282 1.825 16 2HG GLU 3 HG1 GLU 3 -27.138 3.396 2.965 17 H LYS 4 HN LYS 4 -25.712 1.771 0.990 18 HA LYS 4 HA LYS 4 -23.442 2.206 -0.753 19 1HB LYS 4 HB2 LYS 4 -24.931 1.275 -2.526 20 2HB LYS 4 HB1 LYS 4 -24.667 0.192 -1.169 21 1HG LYS 4 HG2 LYS 4 -26.852 0.751 -0.271 22 2HG LYS 4 HG1 LYS 4 -27.116 1.891 -1.591 23 1HD LYS 4 HD2 LYS 4 -28.247 -0.247 -1.998 24 2HD LYS 4 HD1 LYS 4 -27.004 0.073 -3.208 25 1HE LYS 4 HE2 LYS 4 -25.465 -1.408 -2.031 26 2HE LYS 4 HE1 LYS 4 -26.683 -1.707 -0.792 27 1HZ LYS 4 HZ1 LYS 4 -26.565 -3.487 -2.452 28 2HZ LYS 4 HZ2 LYS 4 -26.983 -2.387 -3.672 29 3HZ LYS 4 HZ3 LYS 4 -28.086 -2.741 -2.437 30 H ARG 5 HN ARG 5 -23.133 3.865 -2.013 31 HA ARG 5 HA ARG 5 -25.015 6.070 -1.926 32 1HB ARG 5 HB2 ARG 5 -22.466 6.219 -1.658 33 2HB ARG 5 HB1 ARG 5 -22.383 5.961 -3.397 34 1HG ARG 5 HG2 ARG 5 -22.220 8.290 -3.080 35 2HG ARG 5 HG1 ARG 5 -23.859 7.997 -3.660 36 1HD ARG 5 HD2 ARG 5 -23.061 8.410 -0.780 37 2HD ARG 5 HD1 ARG 5 -23.787 9.629 -1.823 38 HE ARG 5 HE ARG 5 -25.742 8.026 -1.943 39 1HH1 ARG 5 HH11 ARG 5 -23.572 8.192 0.799 40 2HH1 ARG 5 HH12 ARG 5 -24.757 7.620 1.935 41 1HH2 ARG 5 HH21 ARG 5 -27.308 7.244 -0.440 42 2HH2 ARG 5 HH22 ARG 5 -26.860 7.062 1.238 43 H GLN 6 HN GLN 6 -24.100 7.024 -4.616 44 HA GLN 6 HA GLN 6 -26.333 6.074 -6.058 45 1HB GLN 6 HB2 GLN 6 -23.945 7.463 -7.280 46 2HB GLN 6 HB1 GLN 6 -25.603 7.464 -7.860 47 1HG GLN 6 HG2 GLN 6 -24.430 8.934 -5.531 48 2HG GLN 6 HG1 GLN 6 -25.291 9.576 -6.926 49 1HE2 GLN 6 HE21 GLN 6 -27.568 9.300 -7.030 50 2HE2 GLN 6 HE22 GLN 6 -28.495 9.039 -5.591 51 H HIS 7 HN HIS 7 -22.859 5.508 -6.390 52 HA HIS 7 HA HIS 7 -23.478 2.841 -7.433 53 1HB HIS 7 HB2 HIS 7 -21.475 4.769 -8.624 54 2HB HIS 7 HB1 HIS 7 -21.439 3.038 -8.930 55 HD1 HIS 7 HD1 HIS 7 -22.425 5.938 -10.553 56 HD2 HIS 7 HD2 HIS 7 -24.308 2.291 -9.890 57 HE1 HIS 7 HE1 HIS 7 -24.212 5.768 -12.314 58 HE2 HIS 7 HE2 HIS 7 -25.187 3.462 -12.027 59 H SER 8 HN SER 8 -21.929 1.269 -6.866 60 HA SER 8 HA SER 8 -19.993 2.163 -4.838 61 1HB SER 8 HB2 SER 8 -20.408 -0.139 -3.802 62 2HB SER 8 HB1 SER 8 -21.709 1.040 -3.650 63 HG SER 8 HG SER 8 -21.538 -1.216 -5.348 64 H SER 9 HN SER 9 -19.358 1.933 -7.578 65 HA SER 9 HA SER 9 -17.584 -0.406 -7.535 66 1HB SER 9 HB2 SER 9 -18.089 -0.623 -10.030 67 2HB SER 9 HB1 SER 9 -19.381 -1.102 -8.929 68 HG SER 9 HG SER 9 -19.208 1.093 -10.648 69 H GLN 10 HN GLN 10 -17.111 2.499 -7.061 70 HA GLN 10 HA GLN 10 -15.507 3.249 -9.387 71 1HB GLN 10 HB2 GLN 10 -16.015 4.809 -6.848 72 2HB GLN 10 HB1 GLN 10 -15.203 5.408 -8.283 73 1HG GLN 10 HG2 GLN 10 -17.306 6.315 -8.473 74 2HG GLN 10 HG1 GLN 10 -17.421 4.875 -9.482 75 1HE2 GLN 10 HE21 GLN 10 -18.280 6.298 -6.410 76 2HE2 GLN 10 HE22 GLN 10 -19.580 5.201 -6.049 77 H ASP 11 HN ASP 11 -14.804 1.051 -7.671 78 HA ASP 11 HA ASP 11 -13.261 0.291 -6.078 79 1HB ASP 11 HB2 ASP 11 -11.471 1.152 -8.350 80 2HB ASP 11 HB1 ASP 11 -11.296 -0.233 -7.283 81 H VAL 12 HN VAL 12 -12.738 1.376 -4.236 82 HA VAL 12 HA VAL 12 -11.615 3.940 -4.067 83 HB VAL 12 HB VAL 12 -11.081 3.473 -1.752 84 1HG1 VAL 12 HG11 VAL 12 -13.286 2.826 -0.930 85 2HG1 VAL 12 HG12 VAL 12 -13.713 2.226 -2.531 86 3HG1 VAL 12 HG13 VAL 12 -13.404 3.946 -2.286 87 1HG2 VAL 12 HG21 VAL 12 -10.141 1.222 -2.035 88 2HG2 VAL 12 HG22 VAL 12 -11.762 0.588 -2.314 89 3HG2 VAL 12 HG23 VAL 12 -11.345 1.279 -0.747 90 H HIS 13 HN HIS 13 -9.424 4.376 -3.024 91 HA HIS 13 HA HIS 13 -7.413 2.731 -4.373 92 1HB HIS 13 HB2 HIS 13 -7.813 5.697 -4.539 93 2HB HIS 13 HB1 HIS 13 -6.191 5.026 -4.675 94 HD1 HIS 13 HD1 HIS 13 -5.502 4.198 -6.906 95 HD2 HIS 13 HD2 HIS 13 -9.626 4.686 -6.604 96 HE1 HIS 13 HE1 HIS 13 -6.409 3.810 -9.227 97 HE2 HIS 13 HE2 HIS 13 -8.871 4.322 -9.051 98 H VAL 14 HN VAL 14 -6.346 1.822 -2.834 99 HA VAL 14 HA VAL 14 -5.654 3.345 -0.420 100 HB VAL 14 HB VAL 14 -5.688 0.373 -0.986 101 1HG1 VAL 14 HG11 VAL 14 -5.074 0.029 1.341 102 2HG1 VAL 14 HG12 VAL 14 -4.932 1.769 1.574 103 3HG1 VAL 14 HG13 VAL 14 -3.818 0.932 0.493 104 1HG2 VAL 14 HG21 VAL 14 -7.881 1.426 -0.651 105 2HG2 VAL 14 HG22 VAL 14 -7.333 2.048 0.906 106 3HG2 VAL 14 HG23 VAL 14 -7.478 0.309 0.652 107 H VAL 15 HN VAL 15 -3.671 4.226 -0.439 108 HA VAL 15 HA VAL 15 -1.786 3.269 -2.419 109 HB VAL 15 HB VAL 15 -2.228 5.704 -2.074 110 1HG1 VAL 15 HG11 VAL 15 -2.301 5.809 0.317 111 2HG1 VAL 15 HG12 VAL 15 -1.057 6.887 -0.317 112 3HG1 VAL 15 HG13 VAL 15 -0.602 5.344 0.405 113 1HG2 VAL 15 HG21 VAL 15 -0.228 4.829 -3.247 114 2HG2 VAL 15 HG22 VAL 15 0.656 4.922 -1.720 115 3HG2 VAL 15 HG23 VAL 15 0.036 6.392 -2.475 116 H LEU 16 HN LEU 16 -0.114 2.102 -2.116 117 HA LEU 16 HA LEU 16 0.658 1.319 0.607 118 1HB LEU 16 HB2 LEU 16 -0.008 -0.289 -1.405 119 2HB LEU 16 HB1 LEU 16 1.654 -0.013 -1.881 120 HG LEU 16 HG LEU 16 0.624 -1.400 0.575 121 1HD1 LEU 16 HD11 LEU 16 2.541 -2.184 -1.608 122 2HD1 LEU 16 HD12 LEU 16 0.890 -2.766 -1.395 123 3HD1 LEU 16 HD13 LEU 16 2.131 -3.172 -0.208 124 1HD2 LEU 16 HD21 LEU 16 3.419 -0.404 0.082 125 2HD2 LEU 16 HD22 LEU 16 2.981 -1.592 1.306 126 3HD2 LEU 16 HD23 LEU 16 2.346 0.050 1.404 127 H LYS 17 HN LYS 17 2.486 2.206 1.365 128 HA LYS 17 HA LYS 17 4.402 3.283 -0.576 129 1HB LYS 17 HB2 LYS 17 4.410 3.806 2.399 130 2HB LYS 17 HB1 LYS 17 5.245 4.704 1.137 131 1HG LYS 17 HG2 LYS 17 3.537 6.137 1.370 132 2HG LYS 17 HG1 LYS 17 2.668 4.992 0.338 133 1HD LYS 17 HD2 LYS 17 2.004 3.811 2.502 134 2HD LYS 17 HD1 LYS 17 2.601 5.250 3.335 135 1HE LYS 17 HE2 LYS 17 0.905 6.570 2.574 136 2HE LYS 17 HE1 LYS 17 0.703 5.650 1.086 137 1HZ LYS 17 HZ1 LYS 17 -0.170 4.747 3.781 138 2HZ LYS 17 HZ2 LYS 17 -0.400 3.914 2.328 139 3HZ LYS 17 HZ3 LYS 17 -1.192 5.392 2.590 140 H LEU 18 HN LEU 18 6.387 2.529 -0.697 141 HA LEU 18 HA LEU 18 6.928 -0.026 0.638 142 1HB LEU 18 HB2 LEU 18 6.871 -0.111 -1.746 143 2HB LEU 18 HB1 LEU 18 7.825 1.344 -1.896 144 HG LEU 18 HG LEU 18 9.760 -0.006 -0.923 145 1HD1 LEU 18 HD11 LEU 18 9.667 -2.388 -1.194 146 2HD1 LEU 18 HD12 LEU 18 7.993 -2.303 -1.749 147 3HD1 LEU 18 HD13 LEU 18 8.393 -1.885 -0.078 148 1HD2 LEU 18 HD21 LEU 18 8.582 -0.690 -3.613 149 2HD2 LEU 18 HD22 LEU 18 10.251 -0.985 -3.128 150 3HD2 LEU 18 HD23 LEU 18 9.647 0.668 -3.243 151 H TRP 19 HN TRP 19 8.284 0.076 2.348 152 HA TRP 19 HA TRP 19 9.987 2.462 2.598 153 1HB TRP 19 HB2 TRP 19 9.154 0.615 4.839 154 2HB TRP 19 HB1 TRP 19 9.860 2.216 4.977 155 HD1 TRP 19 HD1 TRP 19 6.640 0.458 5.009 156 HE1 TRP 19 HE1 TRP 19 4.713 2.138 5.111 157 HE3 TRP 19 HE3 TRP 19 9.176 4.707 3.752 158 HZ2 TRP 19 HZ2 TRP 19 4.317 4.874 4.724 159 HZ3 TRP 19 HZ3 TRP 19 7.916 6.820 3.588 160 HH2 TRP 19 HH2 TRP 19 5.519 6.894 4.040 161 H LYS 20 HN LYS 20 11.668 1.698 4.560 162 HA LYS 20 HA LYS 20 13.611 0.203 3.166 163 1HB LYS 20 HB2 LYS 20 14.731 0.383 5.566 164 2HB LYS 20 HB1 LYS 20 14.620 1.765 4.487 165 1HG LYS 20 HG2 LYS 20 13.823 2.760 6.349 166 2HG LYS 20 HG1 LYS 20 12.305 2.070 5.782 167 1HD LYS 20 HD2 LYS 20 12.386 1.520 8.052 168 2HD LYS 20 HD1 LYS 20 12.893 0.043 7.226 169 1HE LYS 20 HE2 LYS 20 14.320 0.514 9.151 170 2HE LYS 20 HE1 LYS 20 15.233 0.605 7.644 171 1HZ LYS 20 HZ1 LYS 20 15.671 2.427 9.282 172 2HZ LYS 20 HZ2 LYS 20 14.092 2.990 8.995 173 3HZ LYS 20 HZ3 LYS 20 15.225 2.957 7.733 174 H SER 21 HN SER 21 11.620 -0.585 6.014 175 HA SER 21 HA SER 21 12.688 -3.327 5.825 176 1HB SER 21 HB2 SER 21 11.772 -1.871 8.315 177 2HB SER 21 HB1 SER 21 12.380 -3.524 8.251 178 HG SER 21 HG SER 21 14.013 -2.074 8.862 179 H GLY 22 HN GLY 22 10.021 -1.599 5.165 180 1HA GLY 22 HA2 GLY 22 8.308 -3.863 5.187 181 2HA GLY 22 HA1 GLY 22 7.908 -2.769 6.505 182 H PHE 23 HN PHE 23 5.857 -2.668 5.341 183 HA PHE 23 HA PHE 23 5.897 -0.486 3.407 184 1HB PHE 23 HB2 PHE 23 4.381 -1.723 1.884 185 2HB PHE 23 HB1 PHE 23 5.953 -2.500 2.030 186 HD1 PHE 23 HD1 PHE 23 6.201 -4.613 3.162 187 HD2 PHE 23 HD2 PHE 23 2.384 -2.756 2.810 188 HE1 PHE 23 HE1 PHE 23 5.119 -6.718 3.813 189 HE2 PHE 23 HE2 PHE 23 1.306 -4.859 3.462 190 HZ PHE 23 HZ PHE 23 2.669 -6.841 3.962 191 H SER 24 HN SER 24 3.968 0.684 3.338 192 HA SER 24 HA SER 24 1.884 -0.101 5.273 193 1HB SER 24 HB2 SER 24 3.150 1.576 6.421 194 2HB SER 24 HB1 SER 24 3.232 2.594 4.986 195 HG SER 24 HG SER 24 0.877 1.956 6.455 196 H LEU 25 HN LEU 25 -0.029 -0.075 4.463 197 HA LEU 25 HA LEU 25 -0.542 1.515 2.065 198 1HB LEU 25 HB2 LEU 25 -2.524 -0.203 1.873 199 2HB LEU 25 HB1 LEU 25 -0.942 -0.552 1.217 200 HG LEU 25 HG LEU 25 -1.890 -1.574 3.902 201 1HD1 LEU 25 HD11 LEU 25 -1.895 -2.892 1.194 202 2HD1 LEU 25 HD12 LEU 25 -3.314 -2.426 2.129 203 3HD1 LEU 25 HD13 LEU 25 -2.248 -3.703 2.722 204 1HD2 LEU 25 HD21 LEU 25 -0.057 -3.143 3.694 205 2HD2 LEU 25 HD22 LEU 25 0.571 -1.498 3.565 206 3HD2 LEU 25 HD23 LEU 25 0.367 -2.482 2.116 207 H ASP 26 HN ASP 26 -2.841 2.293 1.964 208 HA ASP 26 HA ASP 26 -3.026 4.133 3.982 209 1HB ASP 26 HB2 ASP 26 -4.918 3.326 1.841 210 2HB ASP 26 HB1 ASP 26 -5.443 4.472 3.072 211 H ASN 27 HN ASN 27 -4.156 0.942 4.142 212 HA ASN 27 HA ASN 27 -6.267 1.446 6.075 213 1HB ASN 27 HB2 ASN 27 -6.441 -1.067 6.068 214 2HB ASN 27 HB1 ASN 27 -6.691 -0.309 4.495 215 1HD2 ASN 27 HD21 ASN 27 -4.747 -2.465 6.344 216 2HD2 ASN 27 HD22 ASN 27 -3.652 -2.899 5.072 217 H GLY 28 HN GLY 28 -2.943 1.270 6.280 218 1HA GLY 28 HA2 GLY 28 -3.039 0.863 9.128 219 2HA GLY 28 HA1 GLY 28 -2.298 -0.483 8.283 220 H GLU 29 HN GLU 29 -0.394 -0.044 9.448 221 HA GLU 29 HA GLU 29 1.020 2.424 8.680 222 1HB GLU 29 HB2 GLU 29 1.487 0.653 11.084 223 2HB GLU 29 HB1 GLU 29 2.323 2.158 10.731 224 1HG GLU 29 HG2 GLU 29 0.263 3.401 11.010 225 2HG GLU 29 HG1 GLU 29 -0.626 1.902 11.285 226 H LEU 30 HN LEU 30 3.565 1.901 9.175 227 HA LEU 30 HA LEU 30 4.446 0.219 7.086 228 1HB LEU 30 HB2 LEU 30 5.630 2.210 8.011 229 2HB LEU 30 HB1 LEU 30 6.001 1.313 9.452 230 HG LEU 30 HG LEU 30 7.158 1.011 6.691 231 1HD1 LEU 30 HD11 LEU 30 8.220 1.725 9.381 232 2HD1 LEU 30 HD12 LEU 30 8.424 2.546 7.831 233 3HD1 LEU 30 HD13 LEU 30 9.280 1.045 8.152 234 1HD2 LEU 30 HD21 LEU 30 7.480 -0.944 8.946 235 2HD2 LEU 30 HD22 LEU 30 8.443 -0.905 7.470 236 3HD2 LEU 30 HD23 LEU 30 6.715 -1.242 7.384 237 H ARG 31 HN ARG 31 3.744 -1.852 7.293 238 HA ARG 31 HA ARG 31 4.521 -3.372 9.667 239 1HB ARG 31 HB2 ARG 31 3.023 -4.259 7.193 240 2HB ARG 31 HB1 ARG 31 3.272 -5.218 8.641 241 1HG ARG 31 HG2 ARG 31 2.024 -3.289 9.837 242 2HG ARG 31 HG1 ARG 31 1.474 -2.878 8.210 243 1HD ARG 31 HD2 ARG 31 0.846 -5.407 8.055 244 2HD ARG 31 HD1 ARG 31 0.954 -5.351 9.816 245 HE ARG 31 HE ARG 31 -0.673 -3.275 9.328 246 1HH1 ARG 31 HH11 ARG 31 -0.711 -6.606 8.269 247 2HH1 ARG 31 HH12 ARG 31 -2.428 -6.654 8.026 248 1HH2 ARG 31 HH21 ARG 31 -2.951 -3.324 9.022 249 2HH2 ARG 31 HH22 ARG 31 -3.714 -4.774 8.422 250 H SER 32 HN SER 32 6.279 -4.681 9.685 251 HA SER 32 HA SER 32 8.182 -4.266 7.600 252 1HB SER 32 HB2 SER 32 8.497 -6.202 9.886 253 2HB SER 32 HB1 SER 32 9.745 -5.289 9.032 254 HG SER 32 HG SER 32 7.798 -4.313 10.846 255 H TYR 33 HN TYR 33 8.966 -5.635 6.062 256 HA TYR 33 HA TYR 33 7.193 -7.225 4.728 257 1HB TYR 33 HB2 TYR 33 10.197 -7.554 4.656 258 2HB TYR 33 HB1 TYR 33 9.069 -8.081 3.417 259 HD1 TYR 33 HD1 TYR 33 11.415 -5.693 4.117 260 HD2 TYR 33 HD2 TYR 33 7.420 -5.981 2.683 261 HE1 TYR 33 HE1 TYR 33 11.664 -3.516 2.993 262 HE2 TYR 33 HE2 TYR 33 7.659 -3.809 1.553 263 HH TYR 33 HH TYR 33 10.727 -2.184 1.356 264 H GLN 34 HN GLN 34 9.624 -8.319 7.044 265 HA GLN 34 HA GLN 34 9.580 -11.050 6.446 266 1HB GLN 34 HB2 GLN 34 10.238 -9.656 9.039 267 2HB GLN 34 HB1 GLN 34 10.619 -11.336 8.679 268 1HG GLN 34 HG2 GLN 34 12.119 -10.701 6.938 269 2HG GLN 34 HG1 GLN 34 11.616 -9.016 7.049 270 1HE2 GLN 34 HE21 GLN 34 13.498 -11.551 8.497 271 2HE2 GLN 34 HE22 GLN 34 14.376 -10.549 9.602 272 H ASP 35 HN ASP 35 7.467 -9.183 8.513 273 HA ASP 35 HA ASP 35 6.520 -11.285 10.135 274 1HB ASP 35 HB2 ASP 35 6.249 -8.872 10.647 275 2HB ASP 35 HB1 ASP 35 5.067 -8.754 9.353 276 HA PRO 36 HA PRO 36 4.188 -13.759 7.359 277 1HB PRO 36 HB2 PRO 36 2.554 -14.377 9.761 278 2HB PRO 36 HB1 PRO 36 3.413 -15.467 8.669 279 1HG PRO 36 HG2 PRO 36 4.372 -14.963 11.093 280 2HG PRO 36 HG1 PRO 36 5.463 -15.093 9.697 281 1HD PRO 36 HD2 PRO 36 4.466 -12.644 11.105 282 2HD PRO 36 HD1 PRO 36 6.088 -12.999 10.474 283 H SER 37 HN SER 37 2.642 -11.242 9.232 284 HA SER 37 HA SER 37 0.019 -11.674 8.096 285 1HB SER 37 HB2 SER 37 1.023 -9.127 9.355 286 2HB SER 37 HB1 SER 37 -0.626 -9.765 9.345 287 HG SER 37 HG SER 37 1.603 -10.543 10.890 288 H ASN 38 HN ASN 38 2.917 -10.057 7.397 289 HA ASN 38 HA ASN 38 1.736 -8.164 5.530 290 1HB ASN 38 HB2 ASN 38 4.631 -8.471 6.343 291 2HB ASN 38 HB1 ASN 38 3.868 -7.065 5.599 292 1HD2 ASN 38 HD21 ASN 38 5.313 -7.290 8.138 293 2HD2 ASN 38 HD22 ASN 38 4.200 -6.779 9.364 294 H ALA 39 HN ALA 39 3.685 -11.046 5.606 295 HA ALA 39 HA ALA 39 4.603 -11.181 2.996 296 1HB ALA 39 HB1 ALA 39 4.522 -13.618 3.248 297 2HB ALA 39 HB2 ALA 39 3.506 -13.438 4.676 298 3HB ALA 39 HB3 ALA 39 5.165 -12.842 4.693 299 H GLN 40 HN GLN 40 1.391 -11.676 4.278 300 HA GLN 40 HA GLN 40 0.034 -12.726 2.117 301 1HB GLN 40 HB2 GLN 40 -1.042 -12.393 4.264 302 2HB GLN 40 HB1 GLN 40 -0.856 -10.653 4.137 303 1HG GLN 40 HG2 GLN 40 -2.370 -11.862 1.939 304 2HG GLN 40 HG1 GLN 40 -3.113 -12.046 3.527 305 1HE2 GLN 40 HE21 GLN 40 -2.227 -9.837 1.016 306 2HE2 GLN 40 HE22 GLN 40 -2.997 -8.434 1.682 307 H PHE 41 HN PHE 41 0.420 -9.256 2.869 308 HA PHE 41 HA PHE 41 -0.725 -8.291 0.472 309 1HB PHE 41 HB2 PHE 41 1.426 -6.949 2.140 310 2HB PHE 41 HB1 PHE 41 0.313 -6.160 1.031 311 HD1 PHE 41 HD1 PHE 41 -2.126 -6.099 1.608 312 HD2 PHE 41 HD2 PHE 41 0.860 -7.338 4.370 313 HE1 PHE 41 HE1 PHE 41 -3.675 -5.702 3.463 314 HE2 PHE 41 HE2 PHE 41 -0.687 -6.949 6.227 315 HZ PHE 41 HZ PHE 41 -2.959 -6.128 5.777 316 H LEU 42 HN LEU 42 2.673 -8.844 1.390 317 HA LEU 42 HA LEU 42 3.902 -7.860 -0.865 318 1HB LEU 42 HB2 LEU 42 4.637 -10.197 0.877 319 2HB LEU 42 HB1 LEU 42 5.671 -9.617 -0.414 320 HG LEU 42 HG LEU 42 4.789 -8.009 1.978 321 1HD1 LEU 42 HD11 LEU 42 7.439 -9.267 1.290 322 2HD1 LEU 42 HD12 LEU 42 6.359 -9.740 2.601 323 3HD1 LEU 42 HD13 LEU 42 7.154 -8.166 2.637 324 1HD2 LEU 42 HD21 LEU 42 5.116 -6.643 -0.032 325 2HD2 LEU 42 HD22 LEU 42 6.729 -7.331 -0.231 326 3HD2 LEU 42 HD23 LEU 42 6.362 -6.336 1.176 327 H GLU 43 HN GLU 43 2.771 -11.193 -0.363 328 HA GLU 43 HA GLU 43 3.491 -12.043 -2.995 329 1HB GLU 43 HB2 GLU 43 3.247 -13.574 -1.031 330 2HB GLU 43 HB1 GLU 43 1.513 -13.289 -1.060 331 1HG GLU 43 HG2 GLU 43 1.387 -14.269 -3.294 332 2HG GLU 43 HG1 GLU 43 3.127 -14.559 -3.261 333 H SER 44 HN SER 44 0.443 -11.136 -1.423 334 HA SER 44 HA SER 44 -1.354 -11.555 -3.481 335 1HB SER 44 HB2 SER 44 -1.251 -9.490 -1.283 336 2HB SER 44 HB1 SER 44 -2.638 -9.651 -2.347 337 HG SER 44 HG SER 44 -1.653 -11.931 -1.058 338 H ILE 45 HN ILE 45 0.588 -8.684 -2.793 339 HA ILE 45 HA ILE 45 -0.634 -7.248 -4.999 340 HB ILE 45 HB ILE 45 1.560 -6.377 -3.108 341 1HG1 ILE 45 HG12 ILE 45 -1.414 -5.828 -2.958 342 2HG1 ILE 45 HG11 ILE 45 -0.600 -7.077 -2.017 343 1HG2 ILE 45 HG21 ILE 45 1.469 -5.019 -5.129 344 2HG2 ILE 45 HG22 ILE 45 0.878 -4.101 -3.745 345 3HG2 ILE 45 HG23 ILE 45 -0.263 -4.776 -4.907 346 1HD1 ILE 45 HD11 ILE 45 -0.976 -5.091 -0.687 347 2HD1 ILE 45 HD12 ILE 45 -0.087 -4.120 -1.859 348 3HD1 ILE 45 HD13 ILE 45 0.753 -5.360 -0.929 349 H ARG 46 HN ARG 46 2.173 -9.122 -4.387 350 HA ARG 46 HA ARG 46 3.760 -8.183 -6.563 351 1HB ARG 46 HB2 ARG 46 4.656 -9.448 -4.625 352 2HB ARG 46 HB1 ARG 46 3.786 -10.869 -5.179 353 1HG ARG 46 HG2 ARG 46 5.107 -10.799 -7.269 354 2HG ARG 46 HG1 ARG 46 6.042 -9.467 -6.583 355 1HD ARG 46 HD2 ARG 46 6.606 -10.947 -4.660 356 2HD ARG 46 HD1 ARG 46 5.806 -12.272 -5.503 357 HE ARG 46 HE ARG 46 7.853 -10.949 -7.050 358 1HH1 ARG 46 HH11 ARG 46 7.133 -13.552 -4.825 359 2HH1 ARG 46 HH12 ARG 46 8.601 -14.415 -5.166 360 1HH2 ARG 46 HH21 ARG 46 9.752 -12.096 -7.544 361 2HH2 ARG 46 HH22 ARG 46 10.101 -13.585 -6.710 362 H ARG 47 HN ARG 47 1.515 -10.901 -6.112 363 HA ARG 47 HA ARG 47 1.823 -11.893 -8.773 364 1HB ARG 47 HB2 ARG 47 -0.518 -12.386 -6.920 365 2HB ARG 47 HB1 ARG 47 -0.009 -13.385 -8.272 366 1HG ARG 47 HG2 ARG 47 1.442 -12.986 -5.666 367 2HG ARG 47 HG1 ARG 47 0.622 -14.446 -6.217 368 1HD ARG 47 HD2 ARG 47 2.982 -13.198 -7.613 369 2HD ARG 47 HD1 ARG 47 3.107 -14.500 -6.432 370 HE ARG 47 HE ARG 47 1.424 -15.597 -8.160 371 1HH1 ARG 47 HH11 ARG 47 4.311 -13.720 -8.769 372 2HH1 ARG 47 HH12 ARG 47 4.743 -14.589 -10.209 373 1HH2 ARG 47 HH21 ARG 47 1.971 -16.755 -10.058 374 2HH2 ARG 47 HH22 ARG 47 3.406 -16.319 -10.944 375 H GLY 48 HN GLY 48 -0.271 -9.598 -7.206 376 1HA GLY 48 HA2 GLY 48 -1.193 -7.793 -8.513 377 2HA GLY 48 HA1 GLY 48 -1.399 -8.926 -9.841 378 H GLU 49 HN GLU 49 -2.257 -9.255 -6.416 379 HA GLU 49 HA GLU 49 -5.071 -9.507 -7.241 380 1HB GLU 49 HB2 GLU 49 -3.649 -11.017 -5.047 381 2HB GLU 49 HB1 GLU 49 -5.364 -11.126 -5.424 382 1HG GLU 49 HG2 GLU 49 -4.803 -11.970 -7.656 383 2HG GLU 49 HG1 GLU 49 -3.094 -11.915 -7.231 384 H VAL 50 HN VAL 50 -6.565 -9.236 -5.304 385 HA VAL 50 HA VAL 50 -5.829 -6.704 -4.037 386 HB VAL 50 HB VAL 50 -8.519 -8.043 -4.374 387 1HG1 VAL 50 HG11 VAL 50 -9.476 -5.955 -3.519 388 2HG1 VAL 50 HG12 VAL 50 -7.854 -5.359 -3.171 389 3HG1 VAL 50 HG13 VAL 50 -8.482 -6.764 -2.309 390 1HG2 VAL 50 HG21 VAL 50 -7.640 -7.163 -6.451 391 2HG2 VAL 50 HG22 VAL 50 -7.307 -5.612 -5.681 392 3HG2 VAL 50 HG23 VAL 50 -8.973 -6.153 -5.887 393 HA PRO 51 HA PRO 51 -5.228 -8.932 -0.207 394 1HB PRO 51 HB2 PRO 51 -5.044 -6.230 0.958 395 2HB PRO 51 HB1 PRO 51 -3.829 -7.507 0.891 396 1HG PRO 51 HG2 PRO 51 -3.591 -5.304 -0.565 397 2HG PRO 51 HG1 PRO 51 -3.098 -6.886 -1.195 398 1HD PRO 51 HD2 PRO 51 -5.641 -5.358 -1.705 399 2HD PRO 51 HD1 PRO 51 -4.579 -6.172 -2.878 400 H ALA 52 HN ALA 52 -6.476 -9.484 1.495 401 HA ALA 52 HA ALA 52 -9.222 -8.974 1.383 402 1HB ALA 52 HB1 ALA 52 -7.658 -10.149 3.678 403 2HB ALA 52 HB2 ALA 52 -8.229 -11.042 2.270 404 3HB ALA 52 HB3 ALA 52 -9.389 -10.325 3.387 405 H GLU 53 HN GLU 53 -6.682 -7.444 3.224 406 HA GLU 53 HA GLU 53 -8.091 -6.111 5.184 407 1HB GLU 53 HB2 GLU 53 -5.711 -5.289 3.529 408 2HB GLU 53 HB1 GLU 53 -6.321 -4.266 4.825 409 1HG GLU 53 HG2 GLU 53 -5.565 -7.135 5.263 410 2HG GLU 53 HG1 GLU 53 -4.393 -5.821 5.364 411 H LEU 54 HN LEU 54 -7.709 -5.263 1.772 412 HA LEU 54 HA LEU 54 -9.307 -2.868 2.102 413 1HB LEU 54 HB2 LEU 54 -8.256 -4.003 -0.474 414 2HB LEU 54 HB1 LEU 54 -8.736 -2.352 -0.128 415 HG LEU 54 HG LEU 54 -6.318 -3.755 0.962 416 1HD1 LEU 54 HD11 LEU 54 -6.626 -1.500 -1.022 417 2HD1 LEU 54 HD12 LEU 54 -6.197 -3.168 -1.410 418 3HD1 LEU 54 HD13 LEU 54 -5.101 -2.180 -0.442 419 1HD2 LEU 54 HD21 LEU 54 -7.167 -2.231 2.604 420 2HD2 LEU 54 HD22 LEU 54 -7.418 -0.987 1.382 421 3HD2 LEU 54 HD23 LEU 54 -5.780 -1.475 1.819 422 H ARG 55 HN ARG 55 -9.465 -6.001 0.465 423 HA ARG 55 HA ARG 55 -11.880 -5.512 -0.878 424 1HB ARG 55 HB2 ARG 55 -10.048 -7.522 -0.924 425 2HB ARG 55 HB1 ARG 55 -11.412 -8.309 -0.139 426 1HG ARG 55 HG2 ARG 55 -11.390 -6.953 -2.819 427 2HG ARG 55 HG1 ARG 55 -11.564 -8.681 -2.503 428 1HD ARG 55 HD2 ARG 55 -13.664 -8.231 -1.315 429 2HD ARG 55 HD1 ARG 55 -13.489 -6.513 -1.679 430 HE ARG 55 HE ARG 55 -13.408 -7.788 -4.114 431 1HH1 ARG 55 HH11 ARG 55 -15.657 -7.561 -1.451 432 2HH1 ARG 55 HH12 ARG 55 -17.061 -7.830 -2.434 433 1HH2 ARG 55 HH21 ARG 55 -15.257 -8.138 -5.429 434 2HH2 ARG 55 HH22 ARG 55 -16.840 -8.158 -4.700 435 H ARG 56 HN ARG 56 -11.246 -7.002 2.289 436 HA ARG 56 HA ARG 56 -14.073 -7.234 2.819 437 1HB ARG 56 HB2 ARG 56 -11.670 -7.668 4.605 438 2HB ARG 56 HB1 ARG 56 -13.336 -7.986 5.074 439 1HG ARG 56 HG2 ARG 56 -11.891 -9.327 2.796 440 2HG ARG 56 HG1 ARG 56 -12.146 -10.025 4.401 441 1HD ARG 56 HD2 ARG 56 -14.568 -9.881 4.076 442 2HD ARG 56 HD1 ARG 56 -14.314 -9.183 2.479 443 HE ARG 56 HE ARG 56 -13.051 -11.431 2.103 444 1HH1 ARG 56 HH11 ARG 56 -16.002 -10.946 3.939 445 2HH1 ARG 56 HH12 ARG 56 -16.606 -12.548 3.615 446 1HH2 ARG 56 HH21 ARG 56 -13.874 -13.526 1.655 447 2HH2 ARG 56 HH22 ARG 56 -15.398 -14.003 2.343 448 H LEU 57 HN LEU 57 -13.350 -4.693 2.122 449 HA LEU 57 HA LEU 57 -14.378 -3.206 4.382 450 1HB LEU 57 HB2 LEU 57 -11.903 -3.111 4.528 451 2HB LEU 57 HB1 LEU 57 -11.876 -2.396 2.932 452 HG LEU 57 HG LEU 57 -13.062 -0.434 3.745 453 1HD1 LEU 57 HD11 LEU 57 -14.439 -1.497 5.447 454 2HD1 LEU 57 HD12 LEU 57 -13.527 -0.154 6.133 455 3HD1 LEU 57 HD13 LEU 57 -13.007 -1.812 6.428 456 1HD2 LEU 57 HD21 LEU 57 -10.726 -1.184 5.486 457 2HD2 LEU 57 HD22 LEU 57 -11.325 0.452 5.213 458 3HD2 LEU 57 HD23 LEU 57 -10.636 -0.471 3.878 459 H ALA 58 HN ALA 58 -13.016 -3.007 1.121 460 HA ALA 58 HA ALA 58 -14.742 -0.964 0.171 461 1HB ALA 58 HB1 ALA 58 -12.582 -1.461 -0.878 462 2HB ALA 58 HB2 ALA 58 -13.901 -1.571 -2.044 463 3HB ALA 58 HB3 ALA 58 -13.190 -3.040 -1.376 464 H HIS 59 HN HIS 59 -16.502 -1.136 -1.237 465 HA HIS 59 HA HIS 59 -18.092 -3.548 -0.724 466 1HB HIS 59 HB2 HIS 59 -18.970 -0.789 -1.610 467 2HB HIS 59 HB1 HIS 59 -20.048 -2.145 -1.287 468 HD1 HIS 59 HD1 HIS 59 -20.482 -2.775 1.180 469 HD2 HIS 59 HD2 HIS 59 -17.940 0.485 0.674 470 HE1 HIS 59 HE1 HIS 59 -20.252 -1.726 3.457 471 HE2 HIS 59 HE2 HIS 59 -18.844 0.333 3.100 472 H GLY 60 HN GLY 60 -18.444 -4.963 -2.304 473 1HA GLY 60 HA2 GLY 60 -19.073 -5.755 -4.372 474 2HA GLY 60 HA1 GLY 60 -19.300 -4.090 -4.884 475 H GLY 61 HN GLY 61 -16.206 -4.768 -3.628 476 1HA GLY 61 HA2 GLY 61 -14.227 -5.420 -4.716 477 2HA GLY 61 HA1 GLY 61 -15.102 -5.467 -6.235 478 H GLN 62 HN GLN 62 -15.886 -2.668 -4.667 479 HA GLN 62 HA GLN 62 -14.457 -0.881 -6.260 480 1HB GLN 62 HB2 GLN 62 -16.614 -0.510 -5.067 481 2HB GLN 62 HB1 GLN 62 -15.740 -0.469 -3.552 482 1HG GLN 62 HG2 GLN 62 -14.460 1.491 -4.493 483 2HG GLN 62 HG1 GLN 62 -15.635 1.506 -5.806 484 1HE2 GLN 62 HE21 GLN 62 -17.770 0.605 -3.941 485 2HE2 GLN 62 HE22 GLN 62 -18.201 2.019 -3.034 486 H VAL 63 HN VAL 63 -12.363 -2.207 -5.740 487 HA VAL 63 HA VAL 63 -10.899 -0.780 -3.665 488 HB VAL 63 HB VAL 63 -11.598 -2.674 -2.422 489 1HG1 VAL 63 HG11 VAL 63 -12.347 -4.107 -4.224 490 2HG1 VAL 63 HG12 VAL 63 -11.228 -4.989 -3.182 491 3HG1 VAL 63 HG13 VAL 63 -10.682 -4.369 -4.741 492 1HG2 VAL 63 HG21 VAL 63 -9.280 -2.077 -2.112 493 2HG2 VAL 63 HG22 VAL 63 -8.805 -3.125 -3.452 494 3HG2 VAL 63 HG23 VAL 63 -9.475 -3.824 -1.976 495 H ASN 64 HN ASN 64 -9.107 -0.037 -4.577 496 HA ASN 64 HA ASN 64 -7.457 -1.880 -6.137 497 1HB ASN 64 HB2 ASN 64 -8.715 -0.194 -7.564 498 2HB ASN 64 HB1 ASN 64 -7.744 1.049 -6.795 499 1HD2 ASN 64 HD21 ASN 64 -6.520 -2.153 -7.558 500 2HD2 ASN 64 HD22 ASN 64 -5.436 -1.637 -8.805 501 H LEU 65 HN LEU 65 -5.147 -1.065 -6.212 502 HA LEU 65 HA LEU 65 -4.482 0.524 -3.846 503 1HB LEU 65 HB2 LEU 65 -4.215 -1.724 -3.091 504 2HB LEU 65 HB1 LEU 65 -3.400 -2.197 -4.567 505 HG LEU 65 HG LEU 65 -2.065 -0.109 -2.932 506 1HD1 LEU 65 HD11 LEU 65 -2.212 -3.004 -2.096 507 2HD1 LEU 65 HD12 LEU 65 -2.820 -1.618 -1.192 508 3HD1 LEU 65 HD13 LEU 65 -1.085 -1.812 -1.449 509 1HD2 LEU 65 HD21 LEU 65 -1.093 -2.596 -4.345 510 2HD2 LEU 65 HD22 LEU 65 -0.078 -1.349 -3.623 511 3HD2 LEU 65 HD23 LEU 65 -1.088 -0.965 -5.015 512 H ASP 66 HN ASP 66 -2.891 1.945 -4.123 513 HA ASP 66 HA ASP 66 -1.353 1.863 -6.640 514 1HB ASP 66 HB2 ASP 66 -1.909 4.179 -4.759 515 2HB ASP 66 HB1 ASP 66 -0.884 4.275 -6.187 516 H MET 67 HN MET 67 1.010 2.512 -6.394 517 HA MET 67 HA MET 67 1.967 1.801 -3.704 518 1HB MET 67 HB2 MET 67 1.943 -0.155 -5.395 519 2HB MET 67 HB1 MET 67 3.306 0.670 -6.141 520 1HG MET 67 HG2 MET 67 4.495 0.583 -3.985 521 2HG MET 67 HG1 MET 67 3.150 -0.324 -3.305 522 1HE MET 67 HE1 MET 67 4.725 -2.243 -2.517 523 2HE MET 67 HE2 MET 67 6.140 -1.406 -3.157 524 3HE MET 67 HE3 MET 67 5.859 -3.099 -3.560 525 H GLU 68 HN GLU 68 3.576 2.978 -2.979 526 HA GLU 68 HA GLU 68 4.991 4.800 -4.826 527 1HB GLU 68 HB2 GLU 68 4.498 5.054 -1.853 528 2HB GLU 68 HB1 GLU 68 5.394 6.200 -2.835 529 1HG GLU 68 HG2 GLU 68 3.348 6.686 -4.093 530 2HG GLU 68 HG1 GLU 68 2.464 5.569 -3.050 531 H ASP 69 HN ASP 69 7.261 5.278 -4.222 532 HA ASP 69 HA ASP 69 8.501 3.135 -2.615 533 1HB ASP 69 HB2 ASP 69 9.143 3.187 -5.070 534 2HB ASP 69 HB1 ASP 69 9.889 4.750 -4.764 535 H HIS 70 HN HIS 70 9.145 3.848 -0.705 536 HA HIS 70 HA HIS 70 10.440 6.468 -0.483 537 1HB HIS 70 HB2 HIS 70 8.194 5.546 1.328 538 2HB HIS 70 HB1 HIS 70 9.194 6.961 1.609 539 HD1 HIS 70 HD1 HIS 70 8.740 9.057 0.104 540 HD2 HIS 70 HD2 HIS 70 6.126 5.868 -0.487 541 HE1 HIS 70 HE1 HIS 70 6.751 10.012 -1.095 542 HE2 HIS 70 HE2 HIS 70 5.171 8.084 -1.449 543 H ARG 71 HN ARG 71 11.524 3.894 -0.576 544 HA ARG 71 HA ARG 71 11.678 2.560 1.801 545 1HB ARG 71 HB2 ARG 71 13.519 2.557 -0.566 546 2HB ARG 71 HB1 ARG 71 13.700 1.455 0.802 547 1HG ARG 71 HG2 ARG 71 11.715 0.355 0.354 548 2HG ARG 71 HG1 ARG 71 11.079 1.684 -0.609 549 1HD ARG 71 HD2 ARG 71 11.654 -0.220 -1.996 550 2HD ARG 71 HD1 ARG 71 12.666 1.175 -2.378 551 HE ARG 71 HE ARG 71 13.873 -0.638 -0.491 552 1HH1 ARG 71 HH11 ARG 71 13.326 0.084 -3.867 553 2HH1 ARG 71 HH12 ARG 71 14.694 -0.820 -4.426 554 1HH2 ARG 71 HH21 ARG 71 15.650 -1.897 -1.216 555 2HH2 ARG 71 HH22 ARG 71 16.031 -1.941 -2.911 556 H ASP 72 HN ASP 72 13.686 5.208 0.659 557 HA ASP 72 HA ASP 72 15.327 4.926 3.074 558 1HB ASP 72 HB2 ASP 72 16.881 6.498 2.057 559 2HB ASP 72 HB1 ASP 72 16.538 5.177 0.947 560 H GLU 73 HN GLU 73 12.488 6.092 2.720 561 HA GLU 73 HA GLU 73 12.949 8.705 3.972 562 1HB GLU 73 HB2 GLU 73 10.752 7.497 2.443 563 2HB GLU 73 HB1 GLU 73 10.230 8.399 3.857 564 1HG GLU 73 HG2 GLU 73 11.446 10.358 3.042 565 2HG GLU 73 HG1 GLU 73 11.933 9.443 1.614 566 H ASP 74 HN ASP 74 11.935 5.490 4.650 567 HA ASP 74 HA ASP 74 11.089 4.391 6.445 568 1HB ASP 74 HB2 ASP 74 12.840 5.978 7.671 569 2HB ASP 74 HB1 ASP 74 11.364 6.737 8.263 570 H PHE 75 HN PHE 75 9.330 4.956 8.393 571 HA PHE 75 HA PHE 75 7.071 5.224 6.632 572 1HB PHE 75 HB2 PHE 75 7.074 3.504 8.327 573 2HB PHE 75 HB1 PHE 75 7.214 4.711 9.590 574 HD1 PHE 75 HD1 PHE 75 5.286 4.914 10.816 575 HD2 PHE 75 HD2 PHE 75 4.991 4.248 6.627 576 HE1 PHE 75 HE1 PHE 75 2.833 4.977 10.979 577 HE2 PHE 75 HE2 PHE 75 2.542 4.294 6.778 578 HZ PHE 75 HZ PHE 75 1.458 4.670 8.962 579 H VAL 76 HN VAL 76 5.913 6.980 6.226 580 HA VAL 76 HA VAL 76 5.294 8.978 8.113 581 HB VAL 76 HB VAL 76 7.740 9.261 7.845 582 1HG1 VAL 76 HG11 VAL 76 7.075 10.243 5.087 583 2HG1 VAL 76 HG12 VAL 76 7.977 8.781 5.488 584 3HG1 VAL 76 HG13 VAL 76 8.649 10.367 5.874 585 1HG2 VAL 76 HG21 VAL 76 7.672 11.732 7.684 586 2HG2 VAL 76 HG22 VAL 76 6.408 11.073 8.722 587 3HG2 VAL 76 HG23 VAL 76 6.018 11.614 7.090 588 H LYS 77 HN LYS 77 3.543 7.812 6.449 589 HA LYS 77 HA LYS 77 3.057 9.896 4.516 590 1HB LYS 77 HB2 LYS 77 4.065 7.627 3.611 591 2HB LYS 77 HB1 LYS 77 2.360 7.209 3.570 592 1HG LYS 77 HG2 LYS 77 3.148 8.088 1.424 593 2HG LYS 77 HG1 LYS 77 1.893 9.104 2.137 594 1HD LYS 77 HD2 LYS 77 3.709 10.456 1.194 595 2HD LYS 77 HD1 LYS 77 3.592 10.666 2.938 596 1HE LYS 77 HE2 LYS 77 5.409 8.932 3.151 597 2HE LYS 77 HE1 LYS 77 5.616 9.051 1.404 598 1HZ LYS 77 HZ1 LYS 77 6.018 11.199 3.412 599 2HZ LYS 77 HZ2 LYS 77 5.995 11.482 1.742 600 3HZ LYS 77 HZ3 LYS 77 7.202 10.490 2.419 601 HA PRO 78 HA PRO 78 -1.271 7.982 5.548 602 1HB PRO 78 HB2 PRO 78 -0.519 6.152 7.749 603 2HB PRO 78 HB1 PRO 78 -1.666 5.897 6.421 604 1HG PRO 78 HG2 PRO 78 0.677 4.643 6.429 605 2HG PRO 78 HG1 PRO 78 0.019 5.310 4.920 606 1HD PRO 78 HD2 PRO 78 2.121 6.461 6.726 607 2HD PRO 78 HD1 PRO 78 2.124 6.344 4.965 608 H LYS 79 HN LYS 79 1.072 8.000 8.179 609 HA LYS 79 HA LYS 79 -0.459 10.116 9.516 610 1HB LYS 79 HB2 LYS 79 0.194 9.067 11.701 611 2HB LYS 79 HB1 LYS 79 -0.941 8.110 10.757 612 1HG LYS 79 HG2 LYS 79 0.902 6.700 9.976 613 2HG LYS 79 HG1 LYS 79 2.029 7.652 10.942 614 1HD LYS 79 HD2 LYS 79 -0.320 6.131 12.066 615 2HD LYS 79 HD1 LYS 79 1.336 5.524 12.023 616 1HE LYS 79 HE2 LYS 79 2.049 7.455 13.377 617 2HE LYS 79 HE1 LYS 79 0.371 7.991 13.461 618 1HZ LYS 79 HZ1 LYS 79 1.426 5.424 14.516 619 2HZ LYS 79 HZ2 LYS 79 -0.189 5.920 14.581 620 3HZ LYS 79 HZ3 LYS 79 0.994 6.779 15.442 621 H GLY 80 HN GLY 80 0.824 11.584 10.734 622 1HA GLY 80 HA2 GLY 80 2.853 12.512 11.518 623 2HA GLY 80 HA1 GLY 80 3.737 11.332 10.555 624 H ALA 81 HN ALA 81 2.377 11.690 8.167 625 HA ALA 81 HA ALA 81 2.661 14.511 7.452 626 1HB ALA 81 HB1 ALA 81 3.829 13.890 5.375 627 2HB ALA 81 HB2 ALA 81 3.884 12.212 5.914 628 3HB ALA 81 HB3 ALA 81 4.768 13.452 6.802 629 H PHE 82 HN PHE 82 1.754 14.680 5.048 630 HA PHE 82 HA PHE 82 -0.723 13.092 5.071 631 1HB PHE 82 HB2 PHE 82 -0.260 15.894 4.025 632 2HB PHE 82 HB1 PHE 82 -1.769 15.002 3.868 633 HD1 PHE 82 HD1 PHE 82 -2.847 14.173 6.069 634 HD2 PHE 82 HD2 PHE 82 0.092 17.244 5.869 635 HE1 PHE 82 HE1 PHE 82 -3.565 15.000 8.272 636 HE2 PHE 82 HE2 PHE 82 -0.621 18.075 8.071 637 HZ PHE 82 HZ PHE 82 -2.450 16.952 9.276 638 H LYS 83 HN LYS 83 -0.763 11.592 3.578 639 HA LYS 83 HA LYS 83 0.941 11.579 1.309 640 1HB LYS 83 HB2 LYS 83 -0.406 9.558 0.641 641 2HB LYS 83 HB1 LYS 83 0.339 9.470 2.230 642 1HG LYS 83 HG2 LYS 83 -1.634 8.963 3.090 643 2HG LYS 83 HG1 LYS 83 -2.234 10.552 2.611 644 1HD LYS 83 HD2 LYS 83 -2.825 9.633 0.399 645 2HD LYS 83 HD1 LYS 83 -2.276 8.042 0.933 646 1HE LYS 83 HE2 LYS 83 -3.966 8.050 2.700 647 2HE LYS 83 HE1 LYS 83 -4.511 9.645 2.177 648 1HZ LYS 83 HZ1 LYS 83 -5.956 7.966 1.278 649 2HZ LYS 83 HZ2 LYS 83 -4.651 7.121 0.605 650 3HZ LYS 83 HZ3 LYS 83 -5.074 8.658 0.009 651 H ALA 84 HN ALA 84 0.616 13.277 -0.045 652 HA ALA 84 HA ALA 84 -2.082 13.830 -1.009 653 1HB ALA 84 HB1 ALA 84 -0.613 15.705 -0.392 654 2HB ALA 84 HB2 ALA 84 -1.126 15.779 -2.077 655 3HB ALA 84 HB3 ALA 84 0.502 15.233 -1.672 656 H PHE 85 HN PHE 85 0.003 11.568 -1.695 657 HA PHE 85 HA PHE 85 0.457 10.184 -3.416 658 1HB PHE 85 HB2 PHE 85 -2.013 10.357 -3.796 659 2HB PHE 85 HB1 PHE 85 -1.700 11.662 -4.936 660 HD1 PHE 85 HD1 PHE 85 -1.254 11.184 -7.174 661 HD2 PHE 85 HD2 PHE 85 -0.927 8.093 -4.266 662 HE1 PHE 85 HE1 PHE 85 -0.951 9.530 -8.972 663 HE2 PHE 85 HE2 PHE 85 -0.623 6.433 -6.057 664 HZ PHE 85 HZ PHE 85 -0.637 7.150 -8.414 665 H THR 86 HN THR 86 2.460 10.614 -4.091 666 HA THR 86 HA THR 86 2.791 12.555 -6.253 667 HB THR 86 HB THR 86 3.330 13.805 -4.228 668 HG1 THR 86 HG1 THR 86 5.514 14.357 -4.796 669 1HG2 THR 86 HG21 THR 86 3.923 11.931 -2.766 670 2HG2 THR 86 HG22 THR 86 5.176 13.169 -2.766 671 3HG2 THR 86 HG23 THR 86 5.408 11.681 -3.683 672 H GLY 87 HN GLY 87 4.009 11.747 -7.849 673 1HA GLY 87 HA2 GLY 87 5.363 9.197 -7.393 674 2HA GLY 87 HA1 GLY 87 5.014 9.924 -8.956 675 H GLU 88 HN GLU 88 6.102 12.457 -8.555 676 HA GLU 88 HA GLU 88 8.945 11.803 -8.662 677 1HB GLU 88 HB2 GLU 88 7.961 13.117 -10.502 678 2HB GLU 88 HB1 GLU 88 7.493 14.366 -9.357 679 1HG GLU 88 HG2 GLU 88 9.912 14.645 -8.800 680 2HG GLU 88 HG1 GLU 88 10.278 13.546 -10.130 681 H GLY 89 HN GLY 89 10.439 12.594 -7.249 682 1HA GLY 89 HA2 GLY 89 11.087 14.251 -5.582 683 2HA GLY 89 HA1 GLY 89 9.413 14.260 -5.036 684 H GLN 90 HN GLN 90 9.580 11.209 -5.550 685 HA GLN 90 HA GLN 90 10.115 10.473 -2.848 686 1HB GLN 90 HB2 GLN 90 9.854 8.653 -5.251 687 2HB GLN 90 HB1 GLN 90 9.678 8.196 -3.565 688 1HG GLN 90 HG2 GLN 90 7.678 9.604 -3.404 689 2HG GLN 90 HG1 GLN 90 7.850 10.019 -5.111 690 1HE2 GLN 90 HE21 GLN 90 5.639 8.698 -3.805 691 2HE2 GLN 90 HE22 GLN 90 5.464 7.164 -4.580 692 H LYS 91 HN LYS 91 11.545 9.053 -5.754 693 HA LYS 91 HA LYS 91 14.218 9.658 -5.308 694 1HB LYS 91 HB2 LYS 91 13.878 8.305 -3.219 695 2HB LYS 91 HB1 LYS 91 13.499 6.919 -4.232 696 1HG LYS 91 HG2 LYS 91 15.747 6.663 -3.595 697 2HG LYS 91 HG1 LYS 91 15.780 7.207 -5.272 698 1HD LYS 91 HD2 LYS 91 17.468 8.364 -3.940 699 2HD LYS 91 HD1 LYS 91 16.242 9.493 -4.521 700 1HE LYS 91 HE2 LYS 91 15.221 9.631 -2.396 701 2HE LYS 91 HE1 LYS 91 16.096 8.224 -1.800 702 1HZ LYS 91 HZ1 LYS 91 16.970 10.326 -0.937 703 2HZ LYS 91 HZ2 LYS 91 17.355 10.820 -2.512 704 3HZ LYS 91 HZ3 LYS 91 18.132 9.473 -1.833 705 H LEU 92 HN LEU 92 12.375 6.688 -5.985 706 HA LEU 92 HA LEU 92 12.227 5.328 -7.793 707 1HB LEU 92 HB2 LEU 92 11.666 7.758 -8.728 708 2HB LEU 92 HB1 LEU 92 13.138 7.490 -9.633 709 HG LEU 92 HG LEU 92 11.111 6.924 -10.914 710 1HD1 LEU 92 HD11 LEU 92 13.214 5.810 -11.444 711 2HD1 LEU 92 HD12 LEU 92 11.834 4.749 -11.725 712 3HD1 LEU 92 HD13 LEU 92 12.834 4.533 -10.289 713 1HD2 LEU 92 HD21 LEU 92 9.819 4.927 -10.316 714 2HD2 LEU 92 HD22 LEU 92 9.693 6.186 -9.089 715 3HD2 LEU 92 HD23 LEU 92 10.736 4.791 -8.816 716 H GLY 93 HN GLY 93 14.006 4.094 -7.066 717 1HA GLY 93 HA2 GLY 93 15.866 2.955 -8.201 718 2HA GLY 93 HA1 GLY 93 16.484 4.549 -8.617 719 H SER 94 HN SER 94 15.174 3.379 -5.549 720 HA SER 94 HA SER 94 17.662 4.258 -4.247 721 1HB SER 94 HB2 SER 94 15.467 5.276 -3.522 722 2HB SER 94 HB1 SER 94 14.982 3.680 -2.955 723 HG SER 94 HG SER 94 16.037 5.283 -1.431 724 H THR 95 HN THR 95 19.024 2.722 -3.603 725 HA THR 95 HA THR 95 19.896 0.740 -2.920 726 HB THR 95 HB THR 95 17.142 0.135 -1.823 727 HG1 THR 95 HG1 THR 95 17.955 2.204 -1.134 728 1HG2 THR 95 HG21 THR 95 18.700 -1.761 -1.785 729 2HG2 THR 95 HG22 THR 95 18.389 -1.169 -0.152 730 3HG2 THR 95 HG23 THR 95 19.901 -0.763 -0.967 731 H ALA 96 HN ALA 96 20.252 -0.069 -4.988 732 HA ALA 96 HA ALA 96 18.402 -1.342 -6.649 733 1HB ALA 96 HB1 ALA 96 21.353 -1.912 -6.382 734 2HB ALA 96 HB2 ALA 96 20.632 -0.651 -7.382 735 3HB ALA 96 HB3 ALA 96 20.333 -2.350 -7.751 736 HA PRO 97 HA PRO 97 17.586 -4.906 -4.073 737 1HB PRO 97 HB2 PRO 97 15.715 -6.025 -5.700 738 2HB PRO 97 HB1 PRO 97 15.380 -4.650 -4.638 739 1HG PRO 97 HG2 PRO 97 15.954 -4.687 -7.569 740 2HG PRO 97 HG1 PRO 97 14.767 -3.724 -6.671 741 1HD PRO 97 HD2 PRO 97 17.160 -2.730 -7.509 742 2HD PRO 97 HD1 PRO 97 16.324 -2.152 -6.053 743 H GLN 98 HN GLN 98 19.778 -5.598 -4.599 744 HA GLN 98 HA GLN 98 21.340 -7.032 -5.338 745 1HB GLN 98 HB2 GLN 98 20.612 -9.445 -5.270 746 2HB GLN 98 HB1 GLN 98 20.316 -8.492 -3.828 747 1HG GLN 98 HG2 GLN 98 17.954 -8.243 -4.552 748 2HG GLN 98 HG1 GLN 98 18.297 -9.338 -5.890 749 1HE2 GLN 98 HE21 GLN 98 18.676 -11.512 -5.471 750 2HE2 GLN 98 HE22 GLN 98 18.245 -12.245 -3.959 751 H VAL 99 HN VAL 99 18.831 -8.801 -7.123 752 HA VAL 99 HA VAL 99 20.593 -9.003 -9.359 753 HB VAL 99 HB VAL 99 18.996 -10.800 -8.732 754 1HG1 VAL 99 HG11 VAL 99 17.067 -9.473 -8.136 755 2HG1 VAL 99 HG12 VAL 99 16.643 -10.607 -9.419 756 3HG1 VAL 99 HG13 VAL 99 16.912 -8.905 -9.798 757 1HG2 VAL 99 HG21 VAL 99 19.979 -10.732 -10.967 758 2HG2 VAL 99 HG22 VAL 99 18.638 -9.735 -11.531 759 3HG2 VAL 99 HG23 VAL 99 18.345 -11.392 -11.006 760 H LEU 100 HN LEU 100 18.060 -6.846 -8.446 761 HA LEU 100 HA LEU 100 17.932 -5.763 -11.170 762 1HB LEU 100 HB2 LEU 100 16.054 -5.529 -8.836 763 2HB LEU 100 HB1 LEU 100 15.898 -4.559 -10.290 764 HG LEU 100 HG LEU 100 15.955 -7.557 -10.386 765 1HD1 LEU 100 HD11 LEU 100 13.503 -7.498 -10.458 766 2HD1 LEU 100 HD12 LEU 100 13.537 -5.763 -10.152 767 3HD1 LEU 100 HD13 LEU 100 14.111 -6.885 -8.919 768 1HD2 LEU 100 HD21 LEU 100 16.393 -6.405 -12.477 769 2HD2 LEU 100 HD22 LEU 100 14.925 -5.452 -12.281 770 3HD2 LEU 100 HD23 LEU 100 14.816 -7.194 -12.530 771 H SER 101 HN SER 101 17.376 -3.277 -11.051 772 HA SER 101 HA SER 101 19.063 -1.951 -9.051 773 1HB SER 101 HB2 SER 101 20.444 -2.344 -11.078 774 2HB SER 101 HB1 SER 101 19.254 -1.470 -12.041 775 HG SER 101 HG SER 101 19.680 0.317 -10.493 776 H THR 102 HN THR 102 16.176 -2.217 -9.482 777 HA THR 102 HA THR 102 15.515 0.615 -9.830 778 HB THR 102 HB THR 102 14.791 -0.624 -11.827 779 HG1 THR 102 HG1 THR 102 13.279 0.939 -10.332 780 1HG2 THR 102 HG21 THR 102 14.465 -2.834 -10.861 781 2HG2 THR 102 HG22 THR 102 13.002 -2.300 -11.687 782 3HG2 THR 102 HG23 THR 102 13.093 -2.240 -9.928 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 25.038 4.573 4.956 2 2H GLY 1 HT2 GLY 1 23.366 4.307 5.069 3 3H GLY 1 HT3 GLY 1 23.959 5.867 4.755 4 1HA GLY 1 HA1 GLY 1 23.077 4.847 2.750 5 2HA GLY 1 HA2 GLY 1 24.795 5.196 2.623 6 H SER 2 HN SER 2 25.787 3.660 1.535 7 HA SER 2 HA SER 2 24.750 0.928 1.663 8 1HB SER 2 HB2 SER 2 26.379 0.656 -0.327 9 2HB SER 2 HB1 SER 2 24.929 1.629 -0.574 10 HG SER 2 HG SER 2 27.590 2.376 -0.541 11 H GLU 3 HN GLU 3 25.921 1.381 3.966 12 HA GLU 3 HA GLU 3 28.690 1.051 4.185 13 1HB GLU 3 HB2 GLU 3 27.101 1.706 6.020 14 2HB GLU 3 HB1 GLU 3 26.583 0.031 6.106 15 1HG GLU 3 HG2 GLU 3 29.473 0.660 6.413 16 2HG GLU 3 HG1 GLU 3 28.376 0.991 7.751 17 H LYS 4 HN LYS 4 26.329 -1.507 4.940 18 HA LYS 4 HA LYS 4 27.962 -3.355 3.353 19 1HB LYS 4 HB2 LYS 4 27.454 -5.157 4.992 20 2HB LYS 4 HB1 LYS 4 28.492 -3.893 5.627 21 1HG LYS 4 HG2 LYS 4 26.754 -2.997 6.952 22 2HG LYS 4 HG1 LYS 4 25.530 -3.962 6.121 23 1HD LYS 4 HD2 LYS 4 26.271 -5.956 7.120 24 2HD LYS 4 HD1 LYS 4 27.796 -5.228 7.632 25 1HE LYS 4 HE2 LYS 4 25.106 -4.354 8.664 26 2HE LYS 4 HE1 LYS 4 26.093 -5.587 9.449 27 1HZ LYS 4 HZ1 LYS 4 26.433 -3.413 10.444 28 2HZ LYS 4 HZ2 LYS 4 26.923 -2.776 8.947 29 3HZ LYS 4 HZ3 LYS 4 27.860 -3.966 9.711 30 H ARG 5 HN ARG 5 26.165 -5.561 4.035 31 HA ARG 5 HA ARG 5 24.264 -6.572 3.312 32 1HB ARG 5 HB2 ARG 5 23.244 -3.830 2.540 33 2HB ARG 5 HB1 ARG 5 22.304 -5.315 2.558 34 1HG ARG 5 HG2 ARG 5 22.620 -5.455 5.001 35 2HG ARG 5 HG1 ARG 5 23.485 -3.915 4.952 36 1HD ARG 5 HD2 ARG 5 21.441 -2.917 3.888 37 2HD ARG 5 HD1 ARG 5 20.604 -4.430 4.229 38 HE ARG 5 HE ARG 5 21.856 -3.133 6.510 39 1HH1 ARG 5 HH11 ARG 5 18.931 -3.686 4.649 40 2HH1 ARG 5 HH12 ARG 5 17.872 -3.103 5.900 41 1HH2 ARG 5 HH21 ARG 5 20.458 -2.347 8.152 42 2HH2 ARG 5 HH22 ARG 5 18.741 -2.308 7.878 43 H GLN 6 HN GLN 6 25.216 -3.868 1.252 44 HA GLN 6 HA GLN 6 26.066 -3.749 -0.836 45 1HB GLN 6 HB2 GLN 6 26.614 -6.686 -0.401 46 2HB GLN 6 HB1 GLN 6 27.281 -5.719 -1.710 47 1HG GLN 6 HG2 GLN 6 28.496 -4.353 -0.165 48 2HG GLN 6 HG1 GLN 6 27.720 -5.142 1.209 49 1HE2 GLN 6 HE21 GLN 6 28.305 -7.239 1.746 50 2HE2 GLN 6 HE22 GLN 6 29.779 -7.954 1.181 51 H HIS 7 HN HIS 7 23.234 -4.454 -0.410 52 HA HIS 7 HA HIS 7 22.719 -5.654 -3.041 53 1HB HIS 7 HB2 HIS 7 21.243 -6.080 -0.453 54 2HB HIS 7 HB1 HIS 7 20.509 -6.418 -2.015 55 HD1 HIS 7 HD1 HIS 7 21.947 -8.189 0.591 56 HD2 HIS 7 HD2 HIS 7 22.583 -8.207 -3.522 57 HE1 HIS 7 HE1 HIS 7 22.972 -10.426 0.069 58 HE2 HIS 7 HE2 HIS 7 23.217 -10.470 -2.440 59 H SER 8 HN SER 8 22.189 -3.978 -4.287 60 HA SER 8 HA SER 8 20.228 -2.036 -3.383 61 1HB SER 8 HB2 SER 8 21.388 -2.528 -6.149 62 2HB SER 8 HB1 SER 8 20.398 -1.147 -5.676 63 HG SER 8 HG SER 8 22.027 -0.363 -4.463 64 H SER 9 HN SER 9 20.465 -5.078 -4.935 65 HA SER 9 HA SER 9 17.777 -5.043 -5.987 66 1HB SER 9 HB2 SER 9 19.845 -7.249 -5.854 67 2HB SER 9 HB1 SER 9 18.275 -7.391 -6.647 68 HG SER 9 HG SER 9 20.273 -6.726 -7.913 69 H GLN 10 HN GLN 10 17.122 -4.465 -3.751 70 HA GLN 10 HA GLN 10 16.620 -6.794 -2.060 71 1HB GLN 10 HB2 GLN 10 15.999 -3.850 -1.682 72 2HB GLN 10 HB1 GLN 10 15.591 -5.110 -0.526 73 1HG GLN 10 HG2 GLN 10 18.410 -4.594 -1.416 74 2HG GLN 10 HG1 GLN 10 17.666 -3.743 -0.058 75 1HE2 GLN 10 HE21 GLN 10 16.098 -6.159 0.669 76 2HE2 GLN 10 HE22 GLN 10 17.227 -7.215 1.452 77 H ASP 11 HN ASP 11 15.612 -6.874 -4.556 78 HA ASP 11 HA ASP 11 13.278 -5.709 -5.241 79 1HB ASP 11 HB2 ASP 11 12.859 -7.607 -6.720 80 2HB ASP 11 HB1 ASP 11 14.562 -7.173 -6.732 81 H VAL 12 HN VAL 12 11.488 -5.492 -4.148 82 HA VAL 12 HA VAL 12 10.169 -7.827 -3.007 83 HB VAL 12 HB VAL 12 9.553 -6.592 -0.950 84 1HG1 VAL 12 HG11 VAL 12 11.669 -6.932 0.238 85 2HG1 VAL 12 HG12 VAL 12 12.507 -7.056 -1.308 86 3HG1 VAL 12 HG13 VAL 12 11.304 -8.264 -0.859 87 1HG2 VAL 12 HG21 VAL 12 9.974 -4.322 -1.745 88 2HG2 VAL 12 HG22 VAL 12 11.702 -4.664 -1.807 89 3HG2 VAL 12 HG23 VAL 12 10.863 -4.651 -0.257 90 H HIS 13 HN HIS 13 7.951 -7.317 -2.371 91 HA HIS 13 HA HIS 13 6.809 -5.173 -4.025 92 1HB HIS 13 HB2 HIS 13 5.801 -7.955 -3.464 93 2HB HIS 13 HB1 HIS 13 4.711 -6.674 -3.980 94 HD1 HIS 13 HD1 HIS 13 4.286 -6.733 -6.393 95 HD2 HIS 13 HD2 HIS 13 8.118 -8.083 -5.478 96 HE1 HIS 13 HE1 HIS 13 5.332 -7.376 -8.594 97 HE2 HIS 13 HE2 HIS 13 7.570 -8.368 -7.991 98 H VAL 14 HN VAL 14 5.739 -3.668 -2.975 99 HA VAL 14 HA VAL 14 5.122 -4.119 -0.139 100 HB VAL 14 HB VAL 14 5.255 -1.485 -1.618 101 1HG1 VAL 14 HG11 VAL 14 5.334 -0.514 0.638 102 2HG1 VAL 14 HG12 VAL 14 5.141 -2.127 1.327 103 3HG1 VAL 14 HG13 VAL 14 3.845 -1.421 0.360 104 1HG2 VAL 14 HG21 VAL 14 7.451 -2.543 -1.601 105 2HG2 VAL 14 HG22 VAL 14 7.333 -2.791 0.140 106 3HG2 VAL 14 HG23 VAL 14 7.423 -1.156 -0.513 107 H VAL 15 HN VAL 15 3.113 -4.688 0.214 108 HA VAL 15 HA VAL 15 1.079 -4.229 -1.760 109 HB VAL 15 HB VAL 15 0.918 -5.537 0.955 110 1HG1 VAL 15 HG11 VAL 15 -1.251 -4.704 0.278 111 2HG1 VAL 15 HG12 VAL 15 -1.212 -6.463 0.151 112 3HG1 VAL 15 HG13 VAL 15 -1.078 -5.469 -1.299 113 1HG2 VAL 15 HG21 VAL 15 2.384 -6.719 -0.588 114 2HG2 VAL 15 HG22 VAL 15 1.115 -6.721 -1.811 115 3HG2 VAL 15 HG23 VAL 15 0.902 -7.635 -0.318 116 H LEU 16 HN LEU 16 -0.007 -2.502 -1.935 117 HA LEU 16 HA LEU 16 -0.502 -0.881 0.449 118 1HB LEU 16 HB2 LEU 16 0.645 0.145 -1.554 119 2HB LEU 16 HB1 LEU 16 -0.858 -0.074 -2.434 120 HG LEU 16 HG LEU 16 -1.020 1.344 0.148 121 1HD1 LEU 16 HD11 LEU 16 0.981 2.341 -0.808 122 2HD1 LEU 16 HD12 LEU 16 -0.369 3.475 -0.866 123 3HD1 LEU 16 HD13 LEU 16 0.129 2.621 -2.327 124 1HD2 LEU 16 HD21 LEU 16 -2.277 1.776 -2.559 125 2HD2 LEU 16 HD22 LEU 16 -2.659 2.686 -1.099 126 3HD2 LEU 16 HD23 LEU 16 -3.017 0.962 -1.182 127 H LYS 17 HN LYS 17 -2.416 -0.920 1.282 128 HA LYS 17 HA LYS 17 -4.626 -2.110 -0.225 129 1HB LYS 17 HB2 LYS 17 -4.461 -1.689 2.785 130 2HB LYS 17 HB1 LYS 17 -5.563 -2.734 1.892 131 1HG LYS 17 HG2 LYS 17 -4.018 -4.365 1.602 132 2HG LYS 17 HG1 LYS 17 -2.664 -3.236 1.575 133 1HD LYS 17 HD2 LYS 17 -3.098 -2.872 4.039 134 2HD LYS 17 HD1 LYS 17 -4.176 -4.268 3.959 135 1HE LYS 17 HE2 LYS 17 -1.981 -4.980 4.695 136 2HE LYS 17 HE1 LYS 17 -2.293 -5.616 3.080 137 1HZ LYS 17 HZ1 LYS 17 -0.704 -3.166 3.631 138 2HZ LYS 17 HZ2 LYS 17 -0.906 -3.917 2.131 139 3HZ LYS 17 HZ3 LYS 17 -0.032 -4.691 3.355 140 H LEU 18 HN LEU 18 -6.456 -0.981 -0.551 141 HA LEU 18 HA LEU 18 -6.364 1.882 0.065 142 1HB LEU 18 HB2 LEU 18 -7.971 0.197 -1.861 143 2HB LEU 18 HB1 LEU 18 -8.277 1.897 -1.599 144 HG LEU 18 HG LEU 18 -5.553 1.007 -2.451 145 1HD1 LEU 18 HD11 LEU 18 -6.250 1.254 -4.788 146 2HD1 LEU 18 HD12 LEU 18 -7.921 1.468 -4.267 147 3HD1 LEU 18 HD13 LEU 18 -7.107 -0.074 -4.002 148 1HD2 LEU 18 HD21 LEU 18 -5.879 3.318 -1.745 149 2HD2 LEU 18 HD22 LEU 18 -7.210 3.489 -2.892 150 3HD2 LEU 18 HD23 LEU 18 -5.565 3.239 -3.481 151 H TRP 19 HN TRP 19 -7.930 2.816 1.333 152 HA TRP 19 HA TRP 19 -10.063 1.046 2.303 153 1HB TRP 19 HB2 TRP 19 -8.644 3.063 4.042 154 2HB TRP 19 HB1 TRP 19 -9.782 1.820 4.545 155 HD1 TRP 19 HD1 TRP 19 -6.142 2.435 3.829 156 HE1 TRP 19 HE1 TRP 19 -4.778 0.387 4.545 157 HE3 TRP 19 HE3 TRP 19 -9.959 -0.870 4.569 158 HZ2 TRP 19 HZ2 TRP 19 -5.239 -2.255 5.336 159 HZ3 TRP 19 HZ3 TRP 19 -9.408 -3.173 5.275 160 HH2 TRP 19 HH2 TRP 19 -7.085 -3.864 5.613 161 H LYS 20 HN LYS 20 -11.630 2.581 3.673 162 HA LYS 20 HA LYS 20 -12.890 4.146 1.715 163 1HB LYS 20 HB2 LYS 20 -14.352 4.822 3.754 164 2HB LYS 20 HB1 LYS 20 -14.372 3.164 3.175 165 1HG LYS 20 HG2 LYS 20 -14.157 2.795 5.411 166 2HG LYS 20 HG1 LYS 20 -12.458 2.866 4.956 167 1HD LYS 20 HD2 LYS 20 -12.566 4.215 6.852 168 2HD LYS 20 HD1 LYS 20 -12.629 5.380 5.526 169 1HE LYS 20 HE2 LYS 20 -14.283 5.864 7.301 170 2HE LYS 20 HE1 LYS 20 -15.037 5.546 5.738 171 1HZ LYS 20 HZ1 LYS 20 -14.700 3.400 7.754 172 2HZ LYS 20 HZ2 LYS 20 -15.765 3.453 6.433 173 3HZ LYS 20 HZ3 LYS 20 -16.038 4.435 7.781 174 H SER 21 HN SER 21 -10.628 5.054 4.186 175 HA SER 21 HA SER 21 -11.051 7.860 3.422 176 1HB SER 21 HB2 SER 21 -10.427 6.817 6.191 177 2HB SER 21 HB1 SER 21 -10.483 8.521 5.743 178 HG SER 21 HG SER 21 -12.451 7.639 6.694 179 H GLY 22 HN GLY 22 -8.907 5.356 3.297 180 1HA GLY 22 HA2 GLY 22 -6.699 7.052 2.729 181 2HA GLY 22 HA1 GLY 22 -6.526 6.320 4.315 182 H PHE 23 HN PHE 23 -4.685 5.244 3.643 183 HA PHE 23 HA PHE 23 -5.142 2.792 2.140 184 1HB PHE 23 HB2 PHE 23 -3.204 3.264 0.646 185 2HB PHE 23 HB1 PHE 23 -4.505 4.427 0.417 186 HD1 PHE 23 HD1 PHE 23 -1.206 3.895 1.936 187 HD2 PHE 23 HD2 PHE 23 -4.167 6.768 0.873 188 HE1 PHE 23 HE1 PHE 23 0.347 5.705 2.499 189 HE2 PHE 23 HE2 PHE 23 -2.613 8.568 1.468 190 HZ PHE 23 HZ PHE 23 -0.359 8.041 2.268 191 H SER 24 HN SER 24 -3.511 1.189 2.620 192 HA SER 24 HA SER 24 -1.426 1.984 4.534 193 1HB SER 24 HB2 SER 24 -3.262 1.128 5.916 194 2HB SER 24 HB1 SER 24 -3.323 -0.347 4.952 195 HG SER 24 HG SER 24 -0.979 0.482 6.318 196 H LEU 25 HN LEU 25 0.420 0.830 4.426 197 HA LEU 25 HA LEU 25 0.660 -1.083 2.244 198 1HB LEU 25 HB2 LEU 25 2.620 0.282 1.393 199 2HB LEU 25 HB1 LEU 25 1.015 0.865 1.021 200 HG LEU 25 HG LEU 25 2.707 1.983 3.261 201 1HD1 LEU 25 HD11 LEU 25 3.768 2.266 1.058 202 2HD1 LEU 25 HD12 LEU 25 3.227 3.802 1.737 203 3HD1 LEU 25 HD13 LEU 25 2.291 3.019 0.464 204 1HD2 LEU 25 HD21 LEU 25 0.293 3.098 1.844 205 2HD2 LEU 25 HD22 LEU 25 1.197 3.878 3.139 206 3HD2 LEU 25 HD23 LEU 25 0.286 2.403 3.464 207 H ASP 26 HN ASP 26 2.777 -2.144 2.244 208 HA ASP 26 HA ASP 26 3.355 -2.980 4.877 209 1HB ASP 26 HB2 ASP 26 4.474 -3.673 2.186 210 2HB ASP 26 HB1 ASP 26 5.248 -4.279 3.648 211 H ASN 27 HN ASN 27 3.883 -0.891 5.693 212 HA ASN 27 HA ASN 27 6.521 -0.709 6.510 213 1HB ASN 27 HB2 ASN 27 7.326 1.350 5.505 214 2HB ASN 27 HB1 ASN 27 6.957 0.216 4.208 215 1HD2 ASN 27 HD21 ASN 27 5.346 0.701 2.777 216 2HD2 ASN 27 HD22 ASN 27 4.520 2.223 2.746 217 H GLY 28 HN GLY 28 3.376 0.651 6.002 218 1HA GLY 28 HA2 GLY 28 3.348 1.700 8.707 219 2HA GLY 28 HA1 GLY 28 3.157 2.896 7.434 220 H GLU 29 HN GLU 29 1.297 2.116 9.509 221 HA GLU 29 HA GLU 29 -0.769 0.468 8.509 222 1HB GLU 29 HB2 GLU 29 -1.034 2.692 10.538 223 2HB GLU 29 HB1 GLU 29 -2.074 1.286 10.360 224 1HG GLU 29 HG2 GLU 29 -0.803 0.646 12.143 225 2HG GLU 29 HG1 GLU 29 0.138 -0.032 10.815 226 H LEU 30 HN LEU 30 -3.127 1.813 8.788 227 HA LEU 30 HA LEU 30 -3.422 2.929 6.221 228 1HB LEU 30 HB2 LEU 30 -5.161 1.669 7.484 229 2HB LEU 30 HB1 LEU 30 -5.363 3.042 8.534 230 HG LEU 30 HG LEU 30 -6.052 2.880 5.600 231 1HD1 LEU 30 HD11 LEU 30 -8.340 3.308 6.401 232 2HD1 LEU 30 HD12 LEU 30 -7.751 3.135 8.055 233 3HD1 LEU 30 HD13 LEU 30 -7.669 1.769 6.935 234 1HD2 LEU 30 HD21 LEU 30 -6.984 5.090 5.776 235 2HD2 LEU 30 HD22 LEU 30 -5.251 5.114 6.111 236 3HD2 LEU 30 HD23 LEU 30 -6.410 5.215 7.439 237 H ARG 31 HN ARG 31 -2.723 4.797 5.627 238 HA ARG 31 HA ARG 31 -2.962 7.111 7.428 239 1HB ARG 31 HB2 ARG 31 -1.347 6.880 4.881 240 2HB ARG 31 HB1 ARG 31 -1.279 8.178 6.056 241 1HG ARG 31 HG2 ARG 31 -0.471 6.438 7.717 242 2HG ARG 31 HG1 ARG 31 -0.252 5.376 6.324 243 1HD ARG 31 HD2 ARG 31 0.997 7.608 5.431 244 2HD ARG 31 HD1 ARG 31 1.279 7.750 7.169 245 HE ARG 31 HE ARG 31 1.866 5.126 6.241 246 1HH1 ARG 31 HH11 ARG 31 3.130 8.373 6.465 247 2HH1 ARG 31 HH12 ARG 31 4.788 7.877 6.337 248 1HH2 ARG 31 HH21 ARG 31 4.061 4.457 6.077 249 2HH2 ARG 31 HH22 ARG 31 5.327 5.650 6.097 250 H SER 32 HN SER 32 -4.264 8.828 6.767 251 HA SER 32 HA SER 32 -6.265 8.069 4.832 252 1HB SER 32 HB2 SER 32 -6.289 10.755 6.135 253 2HB SER 32 HB1 SER 32 -7.624 9.637 5.815 254 HG SER 32 HG SER 32 -6.563 8.262 7.457 255 H TYR 33 HN TYR 33 -6.926 9.317 3.016 256 HA TYR 33 HA TYR 33 -4.792 9.598 1.272 257 1HB TYR 33 HB2 TYR 33 -7.634 10.555 1.001 258 2HB TYR 33 HB1 TYR 33 -6.476 10.564 -0.320 259 HD1 TYR 33 HD1 TYR 33 -9.201 8.907 0.755 260 HD2 TYR 33 HD2 TYR 33 -5.171 8.055 -0.310 261 HE1 TYR 33 HE1 TYR 33 -9.851 6.607 0.175 262 HE2 TYR 33 HE2 TYR 33 -5.803 5.744 -0.888 263 HH TYR 33 HH TYR 33 -7.604 4.141 -0.343 264 H GLN 34 HN GLN 34 -6.218 12.148 3.217 265 HA GLN 34 HA GLN 34 -5.313 14.185 1.322 266 1HB GLN 34 HB2 GLN 34 -6.965 14.451 3.824 267 2HB GLN 34 HB1 GLN 34 -6.668 15.726 2.643 268 1HG GLN 34 HG2 GLN 34 -7.801 14.348 0.928 269 2HG GLN 34 HG1 GLN 34 -8.180 13.160 2.173 270 1HE2 GLN 34 HE21 GLN 34 -10.372 13.378 1.925 271 2HE2 GLN 34 HE22 GLN 34 -11.237 14.789 2.433 272 H ASP 35 HN ASP 35 -4.504 12.907 4.416 273 HA ASP 35 HA ASP 35 -3.138 14.926 5.684 274 1HB ASP 35 HB2 ASP 35 -3.435 12.733 6.675 275 2HB ASP 35 HB1 ASP 35 -2.367 12.014 5.479 276 HA PRO 36 HA PRO 36 -0.018 16.502 3.115 277 1HB PRO 36 HB2 PRO 36 1.634 16.667 5.578 278 2HB PRO 36 HB1 PRO 36 1.190 17.930 4.424 279 1HG PRO 36 HG2 PRO 36 0.014 17.796 6.804 280 2HG PRO 36 HG1 PRO 36 -0.909 18.227 5.351 281 1HD PRO 36 HD2 PRO 36 -0.831 15.645 6.852 282 2HD PRO 36 HD1 PRO 36 -2.199 16.450 6.057 283 H SER 37 HN SER 37 0.923 13.818 5.261 284 HA SER 37 HA SER 37 3.486 13.542 3.900 285 1HB SER 37 HB2 SER 37 2.164 11.709 5.916 286 2HB SER 37 HB1 SER 37 3.860 11.685 5.429 287 HG SER 37 HG SER 37 2.609 13.221 7.290 288 H ASN 38 HN ASN 38 0.298 12.337 3.856 289 HA ASN 38 HA ASN 38 0.907 9.935 2.407 290 1HB ASN 38 HB2 ASN 38 -1.789 11.164 2.977 291 2HB ASN 38 HB1 ASN 38 -1.458 9.489 2.534 292 1HD2 ASN 38 HD21 ASN 38 -2.802 10.471 4.854 293 2HD2 ASN 38 HD22 ASN 38 -1.892 9.965 6.239 294 H ALA 39 HN ALA 39 -0.033 13.170 1.724 295 HA ALA 39 HA ALA 39 -0.979 12.992 -0.873 296 1HB ALA 39 HB1 ALA 39 0.856 15.088 0.285 297 2HB ALA 39 HB2 ALA 39 -0.905 15.076 0.390 298 3HB ALA 39 HB3 ALA 39 -0.115 15.264 -1.176 299 H GLN 40 HN GLN 40 2.251 12.599 0.374 300 HA GLN 40 HA GLN 40 3.728 12.719 -2.010 301 1HB GLN 40 HB2 GLN 40 4.847 12.751 0.126 302 2HB GLN 40 HB1 GLN 40 4.178 11.182 0.551 303 1HG GLN 40 HG2 GLN 40 5.764 11.151 -1.902 304 2HG GLN 40 HG1 GLN 40 6.672 11.632 -0.471 305 1HE2 GLN 40 HE21 GLN 40 4.896 9.060 -2.007 306 2HE2 GLN 40 HE22 GLN 40 5.380 7.803 -0.916 307 H PHE 41 HN PHE 41 2.197 9.981 -0.350 308 HA PHE 41 HA PHE 41 3.008 7.987 -2.164 309 1HB PHE 41 HB2 PHE 41 0.508 8.064 -0.460 310 2HB PHE 41 HB1 PHE 41 1.151 6.636 -1.267 311 HD1 PHE 41 HD1 PHE 41 1.152 8.583 1.656 312 HD2 PHE 41 HD2 PHE 41 3.520 5.912 -0.625 313 HE1 PHE 41 HE1 PHE 41 2.525 8.133 3.646 314 HE2 PHE 41 HE2 PHE 41 4.900 5.436 1.356 315 HZ PHE 41 HZ PHE 41 4.400 6.548 3.496 316 H LEU 42 HN LEU 42 -0.148 9.617 -1.894 317 HA LEU 42 HA LEU 42 -1.337 8.350 -4.057 318 1HB LEU 42 HB2 LEU 42 -1.825 11.033 -2.812 319 2HB LEU 42 HB1 LEU 42 -2.747 10.497 -4.196 320 HG LEU 42 HG LEU 42 -3.435 8.489 -2.894 321 1HD1 LEU 42 HD11 LEU 42 -2.249 10.021 -0.613 322 2HD1 LEU 42 HD12 LEU 42 -1.695 8.469 -1.252 323 3HD1 LEU 42 HD13 LEU 42 -3.280 8.593 -0.484 324 1HD2 LEU 42 HD21 LEU 42 -4.925 10.369 -3.219 325 2HD2 LEU 42 HD22 LEU 42 -4.216 11.194 -1.831 326 3HD2 LEU 42 HD23 LEU 42 -5.126 9.702 -1.599 327 H GLU 43 HN GLU 43 0.468 11.371 -3.957 328 HA GLU 43 HA GLU 43 0.263 12.113 -6.638 329 1HB GLU 43 HB2 GLU 43 1.237 13.536 -4.860 330 2HB GLU 43 HB1 GLU 43 2.643 12.484 -4.803 331 1HG GLU 43 HG2 GLU 43 3.259 14.379 -6.064 332 2HG GLU 43 HG1 GLU 43 3.049 13.057 -7.211 333 H SER 44 HN SER 44 3.085 10.471 -5.151 334 HA SER 44 HA SER 44 4.421 9.918 -7.518 335 1HB SER 44 HB2 SER 44 4.435 8.431 -4.888 336 2HB SER 44 HB1 SER 44 5.605 8.156 -6.182 337 HG SER 44 HG SER 44 5.550 10.760 -5.766 338 H ILE 45 HN ILE 45 1.958 8.045 -5.835 339 HA ILE 45 HA ILE 45 2.306 5.702 -7.436 340 HB ILE 45 HB ILE 45 0.031 6.515 -5.613 341 1HG1 ILE 45 HG12 ILE 45 2.383 4.659 -5.181 342 2HG1 ILE 45 HG11 ILE 45 2.243 6.288 -4.527 343 1HG2 ILE 45 HG21 ILE 45 0.660 3.818 -6.803 344 2HG2 ILE 45 HG22 ILE 45 -0.724 4.834 -7.212 345 3HG2 ILE 45 HG23 ILE 45 -0.579 4.147 -5.592 346 1HD1 ILE 45 HD11 ILE 45 1.740 4.596 -2.851 347 2HD1 ILE 45 HD12 ILE 45 0.443 3.966 -3.870 348 3HD1 ILE 45 HD13 ILE 45 0.325 5.593 -3.197 349 H ARG 46 HN ARG 46 0.448 8.627 -7.766 350 HA ARG 46 HA ARG 46 -1.115 7.604 -9.982 351 1HB ARG 46 HB2 ARG 46 -0.763 10.359 -8.814 352 2HB ARG 46 HB1 ARG 46 -1.710 10.061 -10.265 353 1HG ARG 46 HG2 ARG 46 -3.249 8.694 -9.064 354 2HG ARG 46 HG1 ARG 46 -2.238 8.737 -7.619 355 1HD ARG 46 HD2 ARG 46 -2.584 11.169 -7.475 356 2HD ARG 46 HD1 ARG 46 -3.641 11.086 -8.888 357 HE ARG 46 HE ARG 46 -4.844 9.349 -7.274 358 1HH1 ARG 46 HH11 ARG 46 -3.648 12.579 -6.672 359 2HH1 ARG 46 HH12 ARG 46 -4.733 12.876 -5.347 360 1HH2 ARG 46 HH21 ARG 46 -6.301 9.723 -5.561 361 2HH2 ARG 46 HH22 ARG 46 -6.276 11.256 -4.731 362 H ARG 47 HN ARG 47 1.879 9.333 -9.490 363 HA ARG 47 HA ARG 47 2.192 10.166 -12.214 364 1HB ARG 47 HB2 ARG 47 4.426 9.761 -10.223 365 2HB ARG 47 HB1 ARG 47 4.419 10.817 -11.626 366 1HG ARG 47 HG2 ARG 47 2.829 11.168 -9.099 367 2HG ARG 47 HG1 ARG 47 4.225 12.113 -9.613 368 1HD ARG 47 HD2 ARG 47 1.693 11.941 -11.219 369 2HD ARG 47 HD1 ARG 47 1.945 13.155 -9.967 370 HE ARG 47 HE ARG 47 3.854 12.932 -12.191 371 1HH1 ARG 47 HH11 ARG 47 1.555 14.760 -10.291 372 2HH1 ARG 47 HH12 ARG 47 1.781 16.234 -11.194 373 1HH2 ARG 47 HH21 ARG 47 4.184 14.892 -13.364 374 2HH2 ARG 47 HH22 ARG 47 3.256 16.298 -12.940 375 H GLY 48 HN GLY 48 3.052 7.367 -10.327 376 1HA GLY 48 HA2 GLY 48 3.425 5.237 -11.408 377 2HA GLY 48 HA1 GLY 48 4.168 6.104 -12.749 378 H GLU 49 HN GLU 49 5.063 7.563 -9.946 379 HA GLU 49 HA GLU 49 7.737 6.433 -10.098 380 1HB GLU 49 HB2 GLU 49 6.673 8.781 -8.521 381 2HB GLU 49 HB1 GLU 49 8.364 8.318 -8.661 382 1HG GLU 49 HG2 GLU 49 8.304 8.756 -11.050 383 2HG GLU 49 HG1 GLU 49 6.598 9.182 -10.939 384 H VAL 50 HN VAL 50 8.875 6.263 -7.883 385 HA VAL 50 HA VAL 50 7.238 4.387 -6.350 386 HB VAL 50 HB VAL 50 10.235 4.775 -6.335 387 1HG1 VAL 50 HG11 VAL 50 9.461 3.882 -4.231 388 2HG1 VAL 50 HG12 VAL 50 10.262 2.608 -5.152 389 3HG1 VAL 50 HG13 VAL 50 8.501 2.662 -5.065 390 1HG2 VAL 50 HG21 VAL 50 10.316 2.681 -7.598 391 2HG2 VAL 50 HG22 VAL 50 9.431 3.925 -8.479 392 3HG2 VAL 50 HG23 VAL 50 8.553 2.640 -7.650 393 HA PRO 51 HA PRO 51 6.951 7.384 -2.985 394 1HB PRO 51 HB2 PRO 51 5.940 4.935 -1.642 395 2HB PRO 51 HB1 PRO 51 5.209 6.537 -1.763 396 1HG PRO 51 HG2 PRO 51 4.272 4.489 -3.159 397 2HG PRO 51 HG1 PRO 51 4.326 6.126 -3.839 398 1HD PRO 51 HD2 PRO 51 6.129 3.788 -4.355 399 2HD PRO 51 HD1 PRO 51 5.518 5.007 -5.493 400 H ALA 52 HN ALA 52 8.371 7.822 -1.424 401 HA ALA 52 HA ALA 52 10.790 6.449 -1.316 402 1HB ALA 52 HB1 ALA 52 11.419 8.001 0.436 403 2HB ALA 52 HB2 ALA 52 9.731 8.463 0.658 404 3HB ALA 52 HB3 ALA 52 10.558 8.838 -0.855 405 H GLU 53 HN GLU 53 7.965 6.193 0.724 406 HA GLU 53 HA GLU 53 9.123 4.897 2.923 407 1HB GLU 53 HB2 GLU 53 6.334 4.889 1.794 408 2HB GLU 53 HB1 GLU 53 6.742 4.022 3.270 409 1HG GLU 53 HG2 GLU 53 7.195 6.967 2.852 410 2HG GLU 53 HG1 GLU 53 5.764 6.281 3.621 411 H LEU 54 HN LEU 54 8.305 3.686 -0.234 412 HA LEU 54 HA LEU 54 8.365 0.917 0.659 413 1HB LEU 54 HB2 LEU 54 8.467 1.646 -2.232 414 2HB LEU 54 HB1 LEU 54 7.633 0.325 -1.438 415 HG LEU 54 HG LEU 54 6.751 3.198 -1.465 416 1HD1 LEU 54 HD11 LEU 54 5.534 0.753 -2.745 417 2HD1 LEU 54 HD12 LEU 54 6.552 1.923 -3.589 418 3HD1 LEU 54 HD13 LEU 54 5.002 2.428 -2.913 419 1HD2 LEU 54 HD21 LEU 54 5.541 0.732 -0.238 420 2HD2 LEU 54 HD22 LEU 54 4.698 2.272 -0.422 421 3HD2 LEU 54 HD23 LEU 54 6.122 2.162 0.615 422 H ARG 55 HN ARG 55 10.232 3.309 -0.957 423 HA ARG 55 HA ARG 55 12.463 1.651 -1.607 424 1HB ARG 55 HB2 ARG 55 11.677 3.863 -2.673 425 2HB ARG 55 HB1 ARG 55 12.478 4.650 -1.328 426 1HG ARG 55 HG2 ARG 55 13.937 2.747 -3.151 427 2HG ARG 55 HG1 ARG 55 13.752 4.473 -3.510 428 1HD ARG 55 HD2 ARG 55 14.707 4.965 -1.280 429 2HD ARG 55 HD1 ARG 55 15.033 3.247 -1.095 430 HE ARG 55 HE ARG 55 16.177 4.094 -3.506 431 1HH1 ARG 55 HH11 ARG 55 16.591 4.570 -0.066 432 2HH1 ARG 55 HH12 ARG 55 18.259 5.024 -0.192 433 1HH2 ARG 55 HH21 ARG 55 18.385 4.654 -3.681 434 2HH2 ARG 55 HH22 ARG 55 19.284 5.065 -2.252 435 H ARG 56 HN ARG 56 11.324 3.216 1.244 436 HA ARG 56 HA ARG 56 13.786 2.895 2.691 437 1HB ARG 56 HB2 ARG 56 10.960 3.402 3.627 438 2HB ARG 56 HB1 ARG 56 12.350 3.311 4.699 439 1HG ARG 56 HG2 ARG 56 12.000 5.292 2.466 440 2HG ARG 56 HG1 ARG 56 11.717 5.617 4.180 441 1HD ARG 56 HD2 ARG 56 14.340 4.852 2.897 442 2HD ARG 56 HD1 ARG 56 13.905 6.438 3.528 443 HE ARG 56 HE ARG 56 13.621 4.610 5.612 444 1HH1 ARG 56 HH11 ARG 56 16.174 6.008 3.653 445 2HH1 ARG 56 HH12 ARG 56 17.412 5.712 4.836 446 1HH2 ARG 56 HH21 ARG 56 15.264 4.229 7.172 447 2HH2 ARG 56 HH22 ARG 56 16.894 4.728 6.829 448 H LEU 57 HN LEU 57 11.836 0.716 1.354 449 HA LEU 57 HA LEU 57 12.307 -1.281 3.466 450 1HB LEU 57 HB2 LEU 57 9.977 -1.143 2.872 451 2HB LEU 57 HB1 LEU 57 10.361 -1.275 1.167 452 HG LEU 57 HG LEU 57 11.036 -3.580 1.442 453 1HD1 LEU 57 HD11 LEU 57 10.400 -3.245 4.369 454 2HD1 LEU 57 HD12 LEU 57 12.019 -3.387 3.685 455 3HD1 LEU 57 HD13 LEU 57 10.889 -4.736 3.563 456 1HD2 LEU 57 HD21 LEU 57 8.430 -2.942 2.792 457 2HD2 LEU 57 HD22 LEU 57 8.885 -4.532 2.180 458 3HD2 LEU 57 HD23 LEU 57 8.697 -3.177 1.066 459 H ALA 58 HN ALA 58 12.177 -1.003 -0.077 460 HA ALA 58 HA ALA 58 14.355 -2.932 -0.332 461 1HB ALA 58 HB1 ALA 58 12.919 -1.430 -2.517 462 2HB ALA 58 HB2 ALA 58 12.415 -2.996 -1.890 463 3HB ALA 58 HB3 ALA 58 13.973 -2.832 -2.701 464 H HIS 59 HN HIS 59 16.411 -2.418 -0.971 465 HA HIS 59 HA HIS 59 17.247 0.251 -0.340 466 1HB HIS 59 HB2 HIS 59 18.519 -2.345 -0.652 467 2HB HIS 59 HB1 HIS 59 19.487 -1.042 -1.335 468 HD1 HIS 59 HD1 HIS 59 21.178 -0.359 0.324 469 HD2 HIS 59 HD2 HIS 59 17.522 -1.221 2.110 470 HE1 HIS 59 HE1 HIS 59 21.483 0.136 2.774 471 HE2 HIS 59 HE2 HIS 59 19.193 -0.159 3.784 472 H GLY 60 HN GLY 60 15.736 0.769 -2.375 473 1HA GLY 60 HA2 GLY 60 15.730 2.014 -4.295 474 2HA GLY 60 HA1 GLY 60 17.476 2.121 -4.139 475 H GLY 61 HN GLY 61 15.355 -0.694 -4.677 476 1HA GLY 61 HA2 GLY 61 16.652 -1.009 -7.269 477 2HA GLY 61 HA1 GLY 61 16.528 -2.375 -6.175 478 H GLN 62 HN GLN 62 15.084 -3.698 -7.029 479 HA GLN 62 HA GLN 62 12.749 -2.752 -8.373 480 1HB GLN 62 HB2 GLN 62 13.740 -4.820 -9.031 481 2HB GLN 62 HB1 GLN 62 13.616 -5.456 -7.403 482 1HG GLN 62 HG2 GLN 62 11.185 -5.483 -7.561 483 2HG GLN 62 HG1 GLN 62 11.270 -4.766 -9.172 484 1HE2 GLN 62 HE21 GLN 62 13.595 -6.376 -9.920 485 2HE2 GLN 62 HE22 GLN 62 13.001 -7.976 -10.203 486 H VAL 63 HN VAL 63 12.155 -1.340 -6.553 487 HA VAL 63 HA VAL 63 10.595 -2.799 -4.559 488 HB VAL 63 HB VAL 63 11.909 -1.123 -3.508 489 1HG1 VAL 63 HG11 VAL 63 10.798 0.886 -5.461 490 2HG1 VAL 63 HG12 VAL 63 12.445 0.258 -5.443 491 3HG1 VAL 63 HG13 VAL 63 11.863 1.243 -4.101 492 1HG2 VAL 63 HG21 VAL 63 9.651 -1.342 -2.669 493 2HG2 VAL 63 HG22 VAL 63 9.091 -0.112 -3.803 494 3HG2 VAL 63 HG23 VAL 63 10.211 0.322 -2.511 495 H ASN 64 HN ASN 64 8.740 -3.404 -5.398 496 HA ASN 64 HA ASN 64 7.244 -1.471 -7.046 497 1HB ASN 64 HB2 ASN 64 8.115 -3.561 -8.188 498 2HB ASN 64 HB1 ASN 64 7.023 -4.483 -7.163 499 1HD2 ASN 64 HD21 ASN 64 6.298 -1.319 -8.517 500 2HD2 ASN 64 HD22 ASN 64 5.056 -1.865 -9.593 501 H LEU 65 HN LEU 65 5.048 -1.236 -6.623 502 HA LEU 65 HA LEU 65 4.200 -2.418 -4.076 503 1HB LEU 65 HB2 LEU 65 3.168 -0.464 -3.498 504 2HB LEU 65 HB1 LEU 65 4.472 0.166 -4.465 505 HG LEU 65 HG LEU 65 1.910 -0.437 -5.826 506 1HD1 LEU 65 HD11 LEU 65 1.165 0.717 -3.815 507 2HD1 LEU 65 HD12 LEU 65 1.058 1.804 -5.201 508 3HD1 LEU 65 HD13 LEU 65 2.386 1.966 -4.053 509 1HD2 LEU 65 HD21 LEU 65 2.589 1.579 -7.077 510 2HD2 LEU 65 HD22 LEU 65 3.832 0.327 -7.084 511 3HD2 LEU 65 HD23 LEU 65 3.997 1.724 -6.023 512 H ASP 66 HN ASP 66 2.134 -3.262 -3.884 513 HA ASP 66 HA ASP 66 0.687 -3.617 -6.424 514 1HB ASP 66 HB2 ASP 66 1.143 -5.531 -4.145 515 2HB ASP 66 HB1 ASP 66 -0.250 -5.721 -5.202 516 H MET 67 HN MET 67 -1.494 -3.245 -6.431 517 HA MET 67 HA MET 67 -2.474 -1.806 -4.088 518 1HB MET 67 HB2 MET 67 -3.527 -1.932 -6.916 519 2HB MET 67 HB1 MET 67 -4.285 -1.027 -5.619 520 1HG MET 67 HG2 MET 67 -3.056 0.523 -6.887 521 2HG MET 67 HG1 MET 67 -2.136 0.259 -5.407 522 1HE MET 67 HE1 MET 67 0.552 0.912 -8.241 523 2HE MET 67 HE2 MET 67 -0.091 1.486 -6.702 524 3HE MET 67 HE3 MET 67 -1.067 1.603 -8.166 525 H GLU 68 HN GLU 68 -3.658 -2.857 -2.675 526 HA GLU 68 HA GLU 68 -5.656 -4.798 -3.644 527 1HB GLU 68 HB2 GLU 68 -4.680 -4.235 -0.843 528 2HB GLU 68 HB1 GLU 68 -6.006 -5.310 -1.220 529 1HG GLU 68 HG2 GLU 68 -4.413 -6.710 -2.529 530 2HG GLU 68 HG1 GLU 68 -3.108 -5.677 -1.942 531 H ASP 69 HN ASP 69 -7.801 -4.333 -3.418 532 HA ASP 69 HA ASP 69 -8.425 -1.636 -2.430 533 1HB ASP 69 HB2 ASP 69 -9.062 -2.022 -4.757 534 2HB ASP 69 HB1 ASP 69 -10.008 -3.427 -4.286 535 H HIS 70 HN HIS 70 -9.210 -1.534 -0.494 536 HA HIS 70 HA HIS 70 -11.217 -3.476 0.402 537 1HB HIS 70 HB2 HIS 70 -8.883 -2.521 2.085 538 2HB HIS 70 HB1 HIS 70 -10.199 -3.548 2.643 539 HD1 HIS 70 HD1 HIS 70 -10.259 -6.002 1.681 540 HD2 HIS 70 HD2 HIS 70 -6.830 -3.808 0.818 541 HE1 HIS 70 HE1 HIS 70 -8.517 -7.684 0.985 542 HE2 HIS 70 HE2 HIS 70 -6.415 -6.353 0.574 543 H ARG 71 HN ARG 71 -11.421 -0.899 -0.716 544 HA ARG 71 HA ARG 71 -11.725 1.059 1.311 545 1HB ARG 71 HB2 ARG 71 -12.827 0.905 -1.491 546 2HB ARG 71 HB1 ARG 71 -12.980 2.310 -0.435 547 1HG ARG 71 HG2 ARG 71 -10.827 2.913 -0.685 548 2HG ARG 71 HG1 ARG 71 -10.255 1.249 -0.788 549 1HD ARG 71 HD2 ARG 71 -9.945 2.487 -2.893 550 2HD ARG 71 HD1 ARG 71 -11.005 1.086 -3.071 551 HE ARG 71 HE ARG 71 -11.995 3.858 -2.873 552 1HH1 ARG 71 HH11 ARG 71 -12.183 0.597 -4.162 553 2HH1 ARG 71 HH12 ARG 71 -13.481 0.982 -5.257 554 1HH2 ARG 71 HH21 ARG 71 -13.703 4.346 -4.307 555 2HH2 ARG 71 HH22 ARG 71 -14.341 3.090 -5.334 556 H ASP 72 HN ASP 72 -13.489 1.676 2.423 557 HA ASP 72 HA ASP 72 -15.463 1.543 3.506 558 1HB ASP 72 HB2 ASP 72 -16.454 1.525 1.235 559 2HB ASP 72 HB1 ASP 72 -16.371 -0.232 1.237 560 H GLU 73 HN GLU 73 -13.434 -1.032 2.935 561 HA GLU 73 HA GLU 73 -14.766 -2.952 4.640 562 1HB GLU 73 HB2 GLU 73 -12.565 -2.995 2.855 563 2HB GLU 73 HB1 GLU 73 -11.927 -3.390 4.443 564 1HG GLU 73 HG2 GLU 73 -13.739 -5.138 4.597 565 2HG GLU 73 HG1 GLU 73 -14.050 -4.830 2.888 566 H ASP 74 HN ASP 74 -12.565 -0.330 4.900 567 HA ASP 74 HA ASP 74 -11.726 0.859 6.615 568 1HB ASP 74 HB2 ASP 74 -13.686 -0.825 8.108 569 2HB ASP 74 HB1 ASP 74 -12.502 0.118 9.012 570 H PHE 75 HN PHE 75 -10.163 0.777 8.348 571 HA PHE 75 HA PHE 75 -8.039 -0.842 7.526 572 1HB PHE 75 HB2 PHE 75 -7.875 1.383 8.650 573 2HB PHE 75 HB1 PHE 75 -8.277 0.594 10.167 574 HD1 PHE 75 HD1 PHE 75 -6.346 0.885 11.425 575 HD2 PHE 75 HD2 PHE 75 -6.052 -0.657 7.467 576 HE1 PHE 75 HE1 PHE 75 -3.955 0.431 11.776 577 HE2 PHE 75 HE2 PHE 75 -3.660 -1.094 7.811 578 HZ PHE 75 HZ PHE 75 -2.614 -0.560 9.972 579 H VAL 76 HN VAL 76 -7.624 -2.917 7.903 580 HA VAL 76 HA VAL 76 -8.257 -3.970 10.550 581 HB VAL 76 HB VAL 76 -8.630 -5.675 8.107 582 1HG1 VAL 76 HG11 VAL 76 -9.627 -5.952 10.937 583 2HG1 VAL 76 HG12 VAL 76 -8.300 -6.852 10.203 584 3HG1 VAL 76 HG13 VAL 76 -9.948 -7.075 9.616 585 1HG2 VAL 76 HG21 VAL 76 -10.738 -4.044 9.510 586 2HG2 VAL 76 HG22 VAL 76 -11.072 -5.347 8.370 587 3HG2 VAL 76 HG23 VAL 76 -10.215 -3.901 7.828 588 H LYS 77 HN LYS 77 -6.287 -4.351 7.632 589 HA LYS 77 HA LYS 77 -5.415 -6.848 8.510 590 1HB LYS 77 HB2 LYS 77 -4.522 -5.311 6.127 591 2HB LYS 77 HB1 LYS 77 -4.130 -6.996 6.448 592 1HG LYS 77 HG2 LYS 77 -6.490 -7.550 6.457 593 2HG LYS 77 HG1 LYS 77 -6.900 -5.861 6.171 594 1HD LYS 77 HD2 LYS 77 -5.704 -5.958 4.032 595 2HD LYS 77 HD1 LYS 77 -5.357 -7.667 4.322 596 1HE LYS 77 HE2 LYS 77 -8.068 -6.393 4.049 597 2HE LYS 77 HE1 LYS 77 -7.280 -7.447 2.875 598 1HZ LYS 77 HZ1 LYS 77 -8.880 -8.708 4.102 599 2HZ LYS 77 HZ2 LYS 77 -8.236 -8.205 5.588 600 3HZ LYS 77 HZ3 LYS 77 -7.338 -9.224 4.581 601 HA PRO 78 HA PRO 78 -0.909 -5.121 8.863 602 1HB PRO 78 HB2 PRO 78 -1.557 -2.247 9.278 603 2HB PRO 78 HB1 PRO 78 -0.200 -2.984 8.409 604 1HG PRO 78 HG2 PRO 78 -2.194 -1.916 7.045 605 2HG PRO 78 HG1 PRO 78 -1.518 -3.476 6.534 606 1HD PRO 78 HD2 PRO 78 -4.032 -2.934 8.083 607 2HD PRO 78 HD1 PRO 78 -3.776 -4.047 6.740 608 H LYS 79 HN LYS 79 -3.662 -4.336 10.718 609 HA LYS 79 HA LYS 79 -2.338 -3.569 13.134 610 1HB LYS 79 HB2 LYS 79 -5.096 -4.743 12.752 611 2HB LYS 79 HB1 LYS 79 -4.512 -3.942 14.204 612 1HG LYS 79 HG2 LYS 79 -4.191 -1.880 12.798 613 2HG LYS 79 HG1 LYS 79 -5.061 -2.723 11.516 614 1HD LYS 79 HD2 LYS 79 -6.126 -2.168 14.282 615 2HD LYS 79 HD1 LYS 79 -6.529 -1.255 12.828 616 1HE LYS 79 HE2 LYS 79 -7.544 -3.206 11.837 617 2HE LYS 79 HE1 LYS 79 -7.051 -4.199 13.210 618 1HZ LYS 79 HZ1 LYS 79 -9.391 -3.490 13.319 619 2HZ LYS 79 HZ2 LYS 79 -8.887 -1.870 13.380 620 3HZ LYS 79 HZ3 LYS 79 -8.479 -2.932 14.640 621 H GLY 80 HN GLY 80 -3.782 -6.583 11.935 622 1HA GLY 80 HA2 GLY 80 -2.037 -8.340 13.189 623 2HA GLY 80 HA1 GLY 80 -3.345 -8.041 14.329 624 H ALA 81 HN ALA 81 -3.861 -7.886 10.933 625 HA ALA 81 HA ALA 81 -5.223 -10.491 10.969 626 1HB ALA 81 HB1 ALA 81 -6.900 -8.709 11.001 627 2HB ALA 81 HB2 ALA 81 -6.909 -9.546 9.448 628 3HB ALA 81 HB3 ALA 81 -6.144 -7.964 9.590 629 H PHE 82 HN PHE 82 -5.724 -10.934 8.428 630 HA PHE 82 HA PHE 82 -3.136 -10.469 7.134 631 1HB PHE 82 HB2 PHE 82 -4.923 -12.903 7.030 632 2HB PHE 82 HB1 PHE 82 -3.567 -12.657 5.931 633 HD1 PHE 82 HD1 PHE 82 -1.260 -12.466 6.874 634 HD2 PHE 82 HD2 PHE 82 -4.593 -13.711 9.210 635 HE1 PHE 82 HE1 PHE 82 0.272 -13.419 8.545 636 HE2 PHE 82 HE2 PHE 82 -3.065 -14.662 10.886 637 HZ PHE 82 HZ PHE 82 -0.632 -14.517 10.554 638 H LYS 83 HN LYS 83 -3.337 -10.899 4.680 639 HA LYS 83 HA LYS 83 -4.990 -8.665 3.903 640 1HB LYS 83 HB2 LYS 83 -2.901 -10.233 2.392 641 2HB LYS 83 HB1 LYS 83 -3.681 -8.767 1.810 642 1HG LYS 83 HG2 LYS 83 -2.422 -7.425 3.098 643 2HG LYS 83 HG1 LYS 83 -2.441 -8.541 4.463 644 1HD LYS 83 HD2 LYS 83 -0.193 -8.399 3.713 645 2HD LYS 83 HD1 LYS 83 -0.809 -9.967 3.202 646 1HE LYS 83 HE2 LYS 83 -0.663 -7.532 1.433 647 2HE LYS 83 HE1 LYS 83 0.571 -8.786 1.496 648 1HZ LYS 83 HZ1 LYS 83 -1.363 -10.353 0.932 649 2HZ LYS 83 HZ2 LYS 83 -0.716 -9.390 -0.298 650 3HZ LYS 83 HZ3 LYS 83 -2.180 -8.942 0.438 651 H ALA 84 HN ALA 84 -4.991 -12.082 3.538 652 HA ALA 84 HA ALA 84 -6.313 -13.571 2.451 653 1HB ALA 84 HB1 ALA 84 -8.537 -12.901 1.683 654 2HB ALA 84 HB2 ALA 84 -8.108 -11.206 1.916 655 3HB ALA 84 HB3 ALA 84 -8.204 -12.291 3.304 656 H PHE 85 HN PHE 85 -6.507 -10.576 0.540 657 HA PHE 85 HA PHE 85 -5.778 -10.016 -1.521 658 1HB PHE 85 HB2 PHE 85 -3.653 -11.129 -0.785 659 2HB PHE 85 HB1 PHE 85 -4.229 -12.613 -1.540 660 HD1 PHE 85 HD1 PHE 85 -3.879 -12.998 -3.818 661 HD2 PHE 85 HD2 PHE 85 -3.375 -9.076 -2.250 662 HE1 PHE 85 HE1 PHE 85 -2.938 -12.263 -5.970 663 HE2 PHE 85 HE2 PHE 85 -2.430 -8.334 -4.396 664 HZ PHE 85 HZ PHE 85 -2.212 -9.927 -6.260 665 H THR 86 HN THR 86 -7.327 -9.979 -2.921 666 HA THR 86 HA THR 86 -8.806 -10.510 -4.523 667 HB THR 86 HB THR 86 -8.178 -12.270 -6.148 668 HG1 THR 86 HG1 THR 86 -6.811 -13.276 -4.115 669 1HG2 THR 86 HG21 THR 86 -6.083 -11.226 -6.873 670 2HG2 THR 86 HG22 THR 86 -5.918 -10.460 -5.293 671 3HG2 THR 86 HG23 THR 86 -7.260 -10.023 -6.350 672 H GLY 87 HN GLY 87 -10.509 -10.977 -3.046 673 1HA GLY 87 HA2 GLY 87 -11.973 -13.180 -3.712 674 2HA GLY 87 HA1 GLY 87 -11.028 -13.715 -2.335 675 H GLU 88 HN GLU 88 -12.570 -13.964 -0.897 676 HA GLU 88 HA GLU 88 -14.931 -12.634 -0.543 677 1HB GLU 88 HB2 GLU 88 -14.859 -13.527 1.786 678 2HB GLU 88 HB1 GLU 88 -14.473 -14.718 0.550 679 1HG GLU 88 HG2 GLU 88 -12.039 -14.212 1.018 680 2HG GLU 88 HG1 GLU 88 -12.598 -13.324 2.433 681 H GLY 89 HN GLY 89 -15.516 -10.670 0.070 682 1HA GLY 89 HA2 GLY 89 -15.535 -9.020 1.845 683 2HA GLY 89 HA1 GLY 89 -13.797 -9.227 1.981 684 H GLN 90 HN GLN 90 -13.625 -9.251 -1.031 685 HA GLN 90 HA GLN 90 -13.483 -6.335 -1.261 686 1HB GLN 90 HB2 GLN 90 -12.258 -8.479 -3.002 687 2HB GLN 90 HB1 GLN 90 -11.981 -6.750 -3.152 688 1HG GLN 90 HG2 GLN 90 -11.011 -6.768 -0.868 689 2HG GLN 90 HG1 GLN 90 -11.175 -8.524 -0.861 690 1HE2 GLN 90 HE21 GLN 90 -9.507 -5.805 -2.223 691 2HE2 GLN 90 HE22 GLN 90 -8.224 -6.706 -2.962 692 H LYS 91 HN LYS 91 -14.282 -5.235 -3.066 693 HA LYS 91 HA LYS 91 -16.650 -6.283 -4.259 694 1HB LYS 91 HB2 LYS 91 -16.520 -3.912 -3.847 695 2HB LYS 91 HB1 LYS 91 -15.045 -3.777 -4.795 696 1HG LYS 91 HG2 LYS 91 -16.362 -4.476 -6.796 697 2HG LYS 91 HG1 LYS 91 -17.817 -4.362 -5.806 698 1HD LYS 91 HD2 LYS 91 -17.362 -2.002 -5.395 699 2HD LYS 91 HD1 LYS 91 -15.882 -2.113 -6.353 700 1HE LYS 91 HE2 LYS 91 -17.295 -2.836 -8.290 701 2HE LYS 91 HE1 LYS 91 -18.717 -2.476 -7.312 702 1HZ LYS 91 HZ1 LYS 91 -18.128 -0.645 -8.786 703 2HZ LYS 91 HZ2 LYS 91 -16.607 -0.530 -8.057 704 3HZ LYS 91 HZ3 LYS 91 -18.004 -0.184 -7.156 705 H LEU 92 HN LEU 92 -13.421 -5.475 -5.442 706 HA LEU 92 HA LEU 92 -12.100 -6.351 -7.056 707 1HB LEU 92 HB2 LEU 92 -12.932 -8.522 -6.159 708 2HB LEU 92 HB1 LEU 92 -14.207 -8.488 -7.362 709 HG LEU 92 HG LEU 92 -12.473 -8.531 -9.146 710 1HD1 LEU 92 HD11 LEU 92 -10.577 -8.968 -6.842 711 2HD1 LEU 92 HD12 LEU 92 -10.635 -7.541 -7.875 712 3HD1 LEU 92 HD13 LEU 92 -10.176 -9.101 -8.553 713 1HD2 LEU 92 HD21 LEU 92 -11.889 -10.879 -8.860 714 2HD2 LEU 92 HD22 LEU 92 -13.562 -10.584 -8.390 715 3HD2 LEU 92 HD23 LEU 92 -12.323 -10.786 -7.154 716 H GLY 93 HN GLY 93 -14.870 -4.858 -7.538 717 1HA GLY 93 HA2 GLY 93 -15.590 -3.652 -9.399 718 2HA GLY 93 HA1 GLY 93 -14.495 -4.593 -10.405 719 H SER 94 HN SER 94 -15.819 -6.978 -8.862 720 HA SER 94 HA SER 94 -17.701 -7.513 -10.984 721 1HB SER 94 HB2 SER 94 -16.887 -9.263 -8.654 722 2HB SER 94 HB1 SER 94 -17.728 -9.783 -10.113 723 HG SER 94 HG SER 94 -15.912 -9.657 -11.240 724 H THR 95 HN THR 95 -17.782 -7.406 -7.435 725 HA THR 95 HA THR 95 -20.702 -7.582 -7.534 726 HB THR 95 HB THR 95 -18.830 -7.871 -5.173 727 HG1 THR 95 HG1 THR 95 -20.197 -9.796 -6.778 728 1HG2 THR 95 HG21 THR 95 -20.794 -8.822 -4.032 729 2HG2 THR 95 HG22 THR 95 -21.789 -8.425 -5.433 730 3HG2 THR 95 HG23 THR 95 -21.050 -7.137 -4.483 731 H ALA 96 HN ALA 96 -21.458 -5.580 -7.912 732 HA ALA 96 HA ALA 96 -20.456 -3.287 -6.398 733 1HB ALA 96 HB1 ALA 96 -22.644 -3.423 -8.479 734 2HB ALA 96 HB2 ALA 96 -20.951 -3.051 -8.806 735 3HB ALA 96 HB3 ALA 96 -21.916 -1.960 -7.811 736 HA PRO 97 HA PRO 97 -23.709 -4.187 -3.439 737 1HB PRO 97 HB2 PRO 97 -22.826 -2.553 -1.497 738 2HB PRO 97 HB1 PRO 97 -22.009 -4.075 -1.874 739 1HG PRO 97 HG2 PRO 97 -21.275 -1.287 -2.658 740 2HG PRO 97 HG1 PRO 97 -20.228 -2.613 -2.123 741 1HD PRO 97 HD2 PRO 97 -20.592 -1.895 -4.752 742 2HD PRO 97 HD1 PRO 97 -20.097 -3.513 -4.216 743 H GLN 98 HN GLN 98 -24.554 -2.667 -5.503 744 HA GLN 98 HA GLN 98 -25.889 -0.982 -6.201 745 1HB GLN 98 HB2 GLN 98 -26.635 -0.828 -3.276 746 2HB GLN 98 HB1 GLN 98 -27.527 -0.082 -4.595 747 1HG GLN 98 HG2 GLN 98 -27.983 -2.289 -5.536 748 2HG GLN 98 HG1 GLN 98 -27.088 -3.037 -4.212 749 1HE2 GLN 98 HE21 GLN 98 -29.983 -1.344 -5.129 750 2HE2 GLN 98 HE22 GLN 98 -30.881 -1.711 -3.690 751 H VAL 99 HN VAL 99 -25.591 0.606 -3.109 752 HA VAL 99 HA VAL 99 -23.661 2.521 -4.204 753 HB VAL 99 HB VAL 99 -25.005 4.403 -3.215 754 1HG1 VAL 99 HG11 VAL 99 -24.987 3.999 -5.622 755 2HG1 VAL 99 HG12 VAL 99 -26.568 4.573 -5.093 756 3HG1 VAL 99 HG13 VAL 99 -26.325 2.863 -5.452 757 1HG2 VAL 99 HG21 VAL 99 -27.410 4.024 -2.856 758 2HG2 VAL 99 HG22 VAL 99 -26.415 3.118 -1.716 759 3HG2 VAL 99 HG23 VAL 99 -27.158 2.292 -3.086 760 H LEU 100 HN LEU 100 -23.943 0.326 -2.053 761 HA LEU 100 HA LEU 100 -23.727 1.576 0.477 762 1HB LEU 100 HB2 LEU 100 -23.072 -1.138 -0.585 763 2HB LEU 100 HB1 LEU 100 -22.588 -0.691 1.041 764 HG LEU 100 HG LEU 100 -25.423 -0.512 0.049 765 1HD1 LEU 100 HD11 LEU 100 -24.691 -2.836 -0.043 766 2HD1 LEU 100 HD12 LEU 100 -25.831 -2.592 1.279 767 3HD1 LEU 100 HD13 LEU 100 -24.107 -2.729 1.618 768 1HD2 LEU 100 HD21 LEU 100 -25.957 -0.414 2.436 769 2HD2 LEU 100 HD22 LEU 100 -24.910 0.916 1.945 770 3HD2 LEU 100 HD23 LEU 100 -24.237 -0.458 2.819 771 H SER 101 HN SER 101 -21.142 -0.267 -1.141 772 HA SER 101 HA SER 101 -19.142 1.507 -0.047 773 1HB SER 101 HB2 SER 101 -18.762 -0.698 -2.094 774 2HB SER 101 HB1 SER 101 -17.529 0.018 -1.054 775 HG SER 101 HG SER 101 -18.788 -0.835 0.754 776 H THR 102 HN THR 102 -18.378 0.539 -3.206 777 HA THR 102 HA THR 102 -19.787 2.543 -4.657 778 HB THR 102 HB THR 102 -16.791 2.962 -4.707 779 HG1 THR 102 HG1 THR 102 -18.561 3.792 -2.757 780 1HG2 THR 102 HG21 THR 102 -17.409 5.130 -5.652 781 2HG2 THR 102 HG22 THR 102 -19.118 4.745 -5.445 782 3HG2 THR 102 HG23 THR 102 -18.136 3.818 -6.580 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -32.398 6.910 4.880 2 2H GLY 1 HT2 GLY 1 -31.984 5.881 3.602 3 3H GLY 1 HT3 GLY 1 -30.784 6.798 4.365 4 1HA GLY 1 HA1 GLY 1 -31.231 5.575 6.449 5 2HA GLY 1 HA2 GLY 1 -32.326 4.547 5.533 6 H SER 2 HN SER 2 -29.730 4.035 6.966 7 HA SER 2 HA SER 2 -27.787 3.494 4.929 8 1HB SER 2 HB2 SER 2 -27.886 2.579 7.815 9 2HB SER 2 HB1 SER 2 -26.473 2.526 6.758 10 HG SER 2 HG SER 2 -26.700 4.855 6.583 11 H GLU 3 HN GLU 3 -29.661 2.215 3.766 12 HA GLU 3 HA GLU 3 -29.541 -0.604 4.543 13 1HB GLU 3 HB2 GLU 3 -31.153 -0.996 2.753 14 2HB GLU 3 HB1 GLU 3 -31.718 0.295 3.805 15 1HG GLU 3 HG2 GLU 3 -31.109 1.958 2.202 16 2HG GLU 3 HG1 GLU 3 -30.313 0.755 1.188 17 H LYS 4 HN LYS 4 -28.032 1.657 2.519 18 HA LYS 4 HA LYS 4 -26.889 -0.411 0.782 19 1HB LYS 4 HB2 LYS 4 -26.685 2.599 0.541 20 2HB LYS 4 HB1 LYS 4 -26.180 1.414 -0.656 21 1HG LYS 4 HG2 LYS 4 -28.464 0.754 -1.037 22 2HG LYS 4 HG1 LYS 4 -29.021 1.819 0.254 23 1HD LYS 4 HD2 LYS 4 -28.119 3.752 -1.024 24 2HD LYS 4 HD1 LYS 4 -27.719 2.646 -2.339 25 1HE LYS 4 HE2 LYS 4 -30.489 3.080 -1.228 26 2HE LYS 4 HE1 LYS 4 -29.854 3.843 -2.685 27 1HZ LYS 4 HZ1 LYS 4 -29.690 1.751 -3.754 28 2HZ LYS 4 HZ2 LYS 4 -31.238 1.823 -3.062 29 3HZ LYS 4 HZ3 LYS 4 -30.026 0.902 -2.323 30 H ARG 5 HN ARG 5 -25.404 -1.294 2.237 31 HA ARG 5 HA ARG 5 -23.068 0.397 2.730 32 1HB ARG 5 HB2 ARG 5 -24.364 0.434 4.813 33 2HB ARG 5 HB1 ARG 5 -24.403 -1.322 4.836 34 1HG ARG 5 HG2 ARG 5 -22.028 -1.422 5.188 35 2HG ARG 5 HG1 ARG 5 -21.894 0.328 5.007 36 1HD ARG 5 HD2 ARG 5 -23.515 -1.038 7.153 37 2HD ARG 5 HD1 ARG 5 -21.867 -0.451 7.373 38 HE ARG 5 HE ARG 5 -23.101 1.753 6.494 39 1HH1 ARG 5 HH11 ARG 5 -24.043 -0.540 8.971 40 2HH1 ARG 5 HH12 ARG 5 -24.863 0.647 9.940 41 1HH2 ARG 5 HH21 ARG 5 -24.182 3.309 7.735 42 2HH2 ARG 5 HH22 ARG 5 -24.955 2.851 9.230 43 H GLN 6 HN GLN 6 -24.036 -2.877 3.697 44 HA GLN 6 HA GLN 6 -23.253 -4.944 3.224 45 1HB GLN 6 HB2 GLN 6 -23.722 -4.209 0.875 46 2HB GLN 6 HB1 GLN 6 -22.038 -3.724 0.743 47 1HG GLN 6 HG2 GLN 6 -22.243 -5.849 -0.273 48 2HG GLN 6 HG1 GLN 6 -21.402 -6.086 1.258 49 1HE2 GLN 6 HE21 GLN 6 -22.440 -7.186 2.930 50 2HE2 GLN 6 HE22 GLN 6 -23.893 -8.093 2.680 51 H HIS 7 HN HIS 7 -21.727 -5.732 4.525 52 HA HIS 7 HA HIS 7 -19.197 -4.405 4.837 53 1HB HIS 7 HB2 HIS 7 -20.451 -6.833 6.054 54 2HB HIS 7 HB1 HIS 7 -18.723 -6.553 6.251 55 HD1 HIS 7 HD1 HIS 7 -22.056 -4.967 7.051 56 HD2 HIS 7 HD2 HIS 7 -18.050 -4.649 8.119 57 HE1 HIS 7 HE1 HIS 7 -22.001 -3.413 9.024 58 HE2 HIS 7 HE2 HIS 7 -19.590 -3.370 9.760 59 H SER 8 HN SER 8 -20.069 -5.889 2.262 60 HA SER 8 HA SER 8 -17.609 -7.397 1.852 61 1HB SER 8 HB2 SER 8 -19.831 -6.794 -0.122 62 2HB SER 8 HB1 SER 8 -18.535 -7.974 -0.321 63 HG SER 8 HG SER 8 -19.419 -9.193 1.329 64 H SER 9 HN SER 9 -18.946 -4.282 1.515 65 HA SER 9 HA SER 9 -17.095 -3.439 -0.568 66 1HB SER 9 HB2 SER 9 -19.105 -1.740 0.931 67 2HB SER 9 HB1 SER 9 -18.355 -1.401 -0.632 68 HG SER 9 HG SER 9 -20.633 -2.599 -0.220 69 H GLN 10 HN GLN 10 -15.601 -4.232 1.391 70 HA GLN 10 HA GLN 10 -14.961 -1.892 3.041 71 1HB GLN 10 HB2 GLN 10 -14.112 -4.754 3.529 72 2HB GLN 10 HB1 GLN 10 -13.890 -3.388 4.612 73 1HG GLN 10 HG2 GLN 10 -16.469 -3.232 4.572 74 2HG GLN 10 HG1 GLN 10 -16.394 -4.874 3.943 75 1HE2 GLN 10 HE21 GLN 10 -14.109 -3.554 6.237 76 2HE2 GLN 10 HE22 GLN 10 -14.588 -4.551 7.572 77 H ASP 11 HN ASP 11 -14.280 -1.707 0.549 78 HA ASP 11 HA ASP 11 -11.908 -2.605 -0.428 79 1HB ASP 11 HB2 ASP 11 -11.701 -0.473 -1.633 80 2HB ASP 11 HB1 ASP 11 -13.360 -1.075 -1.671 81 H VAL 12 HN VAL 12 -9.763 -2.140 -0.185 82 HA VAL 12 HA VAL 12 -9.096 -0.201 1.914 83 HB VAL 12 HB VAL 12 -7.186 -1.484 2.621 84 1HG1 VAL 12 HG11 VAL 12 -9.242 -1.924 3.794 85 2HG1 VAL 12 HG12 VAL 12 -8.308 -3.413 3.662 86 3HG1 VAL 12 HG13 VAL 12 -9.697 -3.148 2.607 87 1HG2 VAL 12 HG21 VAL 12 -8.020 -3.489 0.532 88 2HG2 VAL 12 HG22 VAL 12 -6.840 -3.818 1.801 89 3HG2 VAL 12 HG23 VAL 12 -6.517 -2.568 0.601 90 H HIS 13 HN HIS 13 -7.743 1.294 1.359 91 HA HIS 13 HA HIS 13 -6.230 0.972 -1.134 92 1HB HIS 13 HB2 HIS 13 -7.779 2.990 -0.744 93 2HB HIS 13 HB1 HIS 13 -6.626 3.512 0.477 94 HD1 HIS 13 HD1 HIS 13 -5.056 5.202 -0.384 95 HD2 HIS 13 HD2 HIS 13 -6.305 2.567 -3.353 96 HE1 HIS 13 HE1 HIS 13 -3.945 5.990 -2.493 97 HE2 HIS 13 HE2 HIS 13 -4.540 4.268 -4.229 98 H VAL 14 HN VAL 14 -4.372 -0.048 -0.592 99 HA VAL 14 HA VAL 14 -3.117 0.695 1.949 100 HB VAL 14 HB VAL 14 -1.818 -1.423 1.765 101 1HG1 VAL 14 HG11 VAL 14 -4.818 -1.727 1.744 102 2HG1 VAL 14 HG12 VAL 14 -3.830 -1.276 3.134 103 3HG1 VAL 14 HG13 VAL 14 -3.665 -2.880 2.417 104 1HG2 VAL 14 HG21 VAL 14 -2.633 -3.163 0.230 105 2HG2 VAL 14 HG22 VAL 14 -1.929 -1.791 -0.625 106 3HG2 VAL 14 HG23 VAL 14 -3.682 -1.972 -0.541 107 H VAL 15 HN VAL 15 -1.376 1.830 1.964 108 HA VAL 15 HA VAL 15 -0.184 2.595 -0.533 109 HB VAL 15 HB VAL 15 -0.627 4.237 1.280 110 1HG1 VAL 15 HG11 VAL 15 0.906 4.366 3.195 111 2HG1 VAL 15 HG12 VAL 15 1.604 2.817 2.714 112 3HG1 VAL 15 HG13 VAL 15 -0.085 2.907 3.212 113 1HG2 VAL 15 HG21 VAL 15 0.988 4.760 -0.462 114 2HG2 VAL 15 HG22 VAL 15 2.267 3.979 0.469 115 3HG2 VAL 15 HG23 VAL 15 1.501 5.445 1.079 116 H LEU 16 HN LEU 16 1.516 1.777 -1.433 117 HA LEU 16 HA LEU 16 3.430 0.349 0.284 118 1HB LEU 16 HB2 LEU 16 2.218 -0.831 -1.747 119 2HB LEU 16 HB1 LEU 16 3.408 0.039 -2.696 120 HG LEU 16 HG LEU 16 3.977 -1.968 -0.525 121 1HD1 LEU 16 HD11 LEU 16 4.342 -2.073 -3.509 122 2HD1 LEU 16 HD12 LEU 16 3.242 -3.051 -2.534 123 3HD1 LEU 16 HD13 LEU 16 4.988 -3.259 -2.374 124 1HD2 LEU 16 HD21 LEU 16 5.895 -0.429 -2.259 125 2HD2 LEU 16 HD22 LEU 16 6.328 -1.750 -1.172 126 3HD2 LEU 16 HD23 LEU 16 5.680 -0.244 -0.519 127 H LYS 17 HN LYS 17 5.167 1.493 0.655 128 HA LYS 17 HA LYS 17 5.881 3.585 -1.265 129 1HB LYS 17 HB2 LYS 17 6.700 3.236 1.626 130 2HB LYS 17 HB1 LYS 17 7.217 4.547 0.573 131 1HG LYS 17 HG2 LYS 17 5.021 5.428 0.439 132 2HG LYS 17 HG1 LYS 17 4.331 3.995 1.205 133 1HD LYS 17 HD2 LYS 17 5.458 4.525 3.280 134 2HD LYS 17 HD1 LYS 17 6.263 5.897 2.522 135 1HE LYS 17 HE2 LYS 17 3.276 5.628 2.780 136 2HE LYS 17 HE1 LYS 17 4.287 6.477 3.947 137 1HZ LYS 17 HZ1 LYS 17 3.915 7.164 1.078 138 2HZ LYS 17 HZ2 LYS 17 5.021 7.925 2.112 139 3HZ LYS 17 HZ3 LYS 17 3.361 8.044 2.417 140 H LEU 18 HN LEU 18 7.750 3.612 -2.249 141 HA LEU 18 HA LEU 18 9.322 1.131 -2.205 142 1HB LEU 18 HB2 LEU 18 8.360 1.655 -4.330 143 2HB LEU 18 HB1 LEU 18 8.825 3.336 -4.208 144 HG LEU 18 HG LEU 18 11.241 2.501 -4.354 145 1HD1 LEU 18 HD11 LEU 18 10.761 0.137 -3.925 146 2HD1 LEU 18 HD12 LEU 18 11.569 0.388 -5.476 147 3HD1 LEU 18 HD13 LEU 18 9.834 0.064 -5.425 148 1HD2 LEU 18 HD21 LEU 18 11.135 2.450 -6.792 149 2HD2 LEU 18 HD22 LEU 18 10.098 3.714 -6.129 150 3HD2 LEU 18 HD23 LEU 18 9.388 2.210 -6.715 151 H TRP 19 HN TRP 19 11.107 1.271 -1.006 152 HA TRP 19 HA TRP 19 12.247 3.917 -0.459 153 1HB TRP 19 HB2 TRP 19 12.798 1.322 0.986 154 2HB TRP 19 HB1 TRP 19 13.151 2.955 1.537 155 HD1 TRP 19 HD1 TRP 19 10.622 0.288 1.792 156 HE1 TRP 19 HE1 TRP 19 8.588 1.145 3.120 157 HE3 TRP 19 HE3 TRP 19 11.566 5.268 1.571 158 HZ2 TRP 19 HZ2 TRP 19 7.542 3.602 3.962 159 HZ3 TRP 19 HZ3 TRP 19 9.963 6.826 2.591 160 HH2 TRP 19 HH2 TRP 19 7.977 6.022 3.741 161 H LYS 20 HN LYS 20 14.778 3.274 0.369 162 HA LYS 20 HA LYS 20 16.035 2.598 -2.109 163 1HB LYS 20 HB2 LYS 20 18.185 2.988 -0.777 164 2HB LYS 20 HB1 LYS 20 17.143 4.357 -1.108 165 1HG LYS 20 HG2 LYS 20 17.664 4.726 1.083 166 2HG LYS 20 HG1 LYS 20 16.172 3.806 1.259 167 1HD LYS 20 HD2 LYS 20 17.360 1.817 1.793 168 2HD LYS 20 HD1 LYS 20 18.902 2.540 1.319 169 1HE LYS 20 HE2 LYS 20 18.711 4.141 3.162 170 2HE LYS 20 HE1 LYS 20 17.176 3.414 3.632 171 1HZ LYS 20 HZ1 LYS 20 18.280 1.382 4.161 172 2HZ LYS 20 HZ2 LYS 20 19.085 2.642 4.958 173 3HZ LYS 20 HZ3 LYS 20 19.762 1.955 3.560 174 H SER 21 HN SER 21 15.706 1.072 1.041 175 HA SER 21 HA SER 21 17.360 -1.161 0.141 176 1HB SER 21 HB2 SER 21 16.098 -0.608 2.839 177 2HB SER 21 HB1 SER 21 17.134 -1.987 2.472 178 HG SER 21 HG SER 21 18.856 -0.692 2.321 179 H GLY 22 HN GLY 22 14.010 -0.380 0.831 180 1HA GLY 22 HA2 GLY 22 13.192 -2.909 -0.293 181 2HA GLY 22 HA1 GLY 22 12.855 -2.743 1.421 182 H PHE 23 HN PHE 23 10.676 -2.914 1.078 183 HA PHE 23 HA PHE 23 9.367 -0.474 0.144 184 1HB PHE 23 HB2 PHE 23 7.753 -1.791 -1.193 185 2HB PHE 23 HB1 PHE 23 9.393 -1.977 -1.796 186 HD1 PHE 23 HD1 PHE 23 6.587 -3.638 -0.148 187 HD2 PHE 23 HD2 PHE 23 10.566 -4.091 -1.585 188 HE1 PHE 23 HE1 PHE 23 6.376 -6.078 0.032 189 HE2 PHE 23 HE2 PHE 23 10.360 -6.529 -1.404 190 HZ PHE 23 HZ PHE 23 8.259 -7.529 -0.595 191 H SER 24 HN SER 24 7.438 -0.040 1.254 192 HA SER 24 HA SER 24 6.610 -2.043 3.270 193 1HB SER 24 HB2 SER 24 6.189 -0.227 4.854 194 2HB SER 24 HB1 SER 24 7.879 -0.213 4.347 195 HG SER 24 HG SER 24 6.009 1.327 2.933 196 H LEU 25 HN LEU 25 4.517 -2.405 3.434 197 HA LEU 25 HA LEU 25 2.661 -0.608 2.057 198 1HB LEU 25 HB2 LEU 25 1.315 -2.859 1.748 199 2HB LEU 25 HB1 LEU 25 2.477 -2.299 0.566 200 HG LEU 25 HG LEU 25 3.089 -4.372 2.679 201 1HD1 LEU 25 HD11 LEU 25 1.330 -5.104 1.150 202 2HD1 LEU 25 HD12 LEU 25 2.830 -5.991 0.869 203 3HD1 LEU 25 HD13 LEU 25 2.352 -4.689 -0.224 204 1HD2 LEU 25 HD21 LEU 25 4.555 -3.621 0.148 205 2HD2 LEU 25 HD22 LEU 25 5.019 -4.881 1.291 206 3HD2 LEU 25 HD23 LEU 25 5.060 -3.184 1.782 207 H ASP 26 HN ASP 26 0.392 -0.845 2.916 208 HA ASP 26 HA ASP 26 0.672 0.034 5.546 209 1HB ASP 26 HB2 ASP 26 -1.050 0.802 3.921 210 2HB ASP 26 HB1 ASP 26 -1.938 -0.689 4.226 211 H ASN 27 HN ASN 27 0.516 -3.177 4.640 212 HA ASN 27 HA ASN 27 -0.888 -4.034 7.057 213 1HB ASN 27 HB2 ASN 27 -0.766 -6.281 6.185 214 2HB ASN 27 HB1 ASN 27 -1.315 -5.229 4.875 215 1HD2 ASN 27 HD21 ASN 27 0.225 -4.649 3.253 216 2HD2 ASN 27 HD22 ASN 27 1.613 -5.634 2.949 217 H GLY 28 HN GLY 28 2.214 -3.153 6.166 218 1HA GLY 28 HA2 GLY 28 3.346 -4.227 8.592 219 2HA GLY 28 HA1 GLY 28 3.998 -4.968 7.137 220 H GLU 29 HN GLU 29 6.058 -4.041 7.893 221 HA GLU 29 HA GLU 29 6.242 -1.181 7.251 222 1HB GLU 29 HB2 GLU 29 7.973 -2.825 9.096 223 2HB GLU 29 HB1 GLU 29 8.289 -1.149 8.669 224 1HG GLU 29 HG2 GLU 29 5.938 -0.673 9.546 225 2HG GLU 29 HG1 GLU 29 6.032 -2.276 10.274 226 H LEU 30 HN LEU 30 8.903 -0.836 6.942 227 HA LEU 30 HA LEU 30 9.285 -1.413 4.252 228 1HB LEU 30 HB2 LEU 30 10.248 0.478 5.545 229 2HB LEU 30 HB1 LEU 30 11.357 -0.625 6.310 230 HG LEU 30 HG LEU 30 11.304 0.046 3.376 231 1HD1 LEU 30 HD11 LEU 30 12.035 1.953 4.508 232 2HD1 LEU 30 HD12 LEU 30 13.477 1.149 3.891 233 3HD1 LEU 30 HD13 LEU 30 13.050 1.005 5.597 234 1HD2 LEU 30 HD21 LEU 30 13.429 -1.049 3.228 235 2HD2 LEU 30 HD22 LEU 30 12.192 -2.175 3.789 236 3HD2 LEU 30 HD23 LEU 30 13.342 -1.481 4.933 237 H ARG 31 HN ARG 31 9.667 -3.258 3.349 238 HA ARG 31 HA ARG 31 11.423 -5.218 4.676 239 1HB ARG 31 HB2 ARG 31 9.154 -5.573 2.717 240 2HB ARG 31 HB1 ARG 31 10.252 -6.865 3.171 241 1HG ARG 31 HG2 ARG 31 9.515 -6.671 5.495 242 2HG ARG 31 HG1 ARG 31 8.398 -5.384 5.025 243 1HD ARG 31 HD2 ARG 31 7.204 -6.892 3.575 244 2HD ARG 31 HD1 ARG 31 8.373 -8.178 3.886 245 HE ARG 31 HE ARG 31 6.798 -7.082 6.116 246 1HH1 ARG 31 HH11 ARG 31 7.674 -9.749 4.037 247 2HH1 ARG 31 HH12 ARG 31 6.718 -10.916 4.902 248 1HH2 ARG 31 HH21 ARG 31 5.571 -8.615 7.287 249 2HH2 ARG 31 HH22 ARG 31 5.553 -10.271 6.772 250 H SER 32 HN SER 32 13.377 -5.414 3.741 251 HA SER 32 HA SER 32 14.081 -4.128 1.333 252 1HB SER 32 HB2 SER 32 15.944 -6.208 1.956 253 2HB SER 32 HB1 SER 32 16.113 -4.464 2.194 254 HG SER 32 HG SER 32 15.649 -4.690 4.247 255 H TYR 33 HN TYR 33 14.640 -4.958 -0.693 256 HA TYR 33 HA TYR 33 12.744 -6.825 -1.669 257 1HB TYR 33 HB2 TYR 33 15.187 -5.960 -3.187 258 2HB TYR 33 HB1 TYR 33 13.601 -6.371 -3.822 259 HD1 TYR 33 HD1 TYR 33 15.798 -3.781 -3.019 260 HD2 TYR 33 HD2 TYR 33 11.642 -4.706 -3.051 261 HE1 TYR 33 HE1 TYR 33 15.271 -1.387 -3.066 262 HE2 TYR 33 HE2 TYR 33 11.104 -2.307 -3.103 263 HH TYR 33 HH TYR 33 12.250 -0.165 -2.407 264 H GLN 34 HN GLN 34 15.843 -7.193 -0.368 265 HA GLN 34 HA GLN 34 16.781 -9.408 -1.876 266 1HB GLN 34 HB2 GLN 34 17.565 -8.473 0.888 267 2HB GLN 34 HB1 GLN 34 18.492 -9.566 -0.133 268 1HG GLN 34 HG2 GLN 34 18.975 -7.851 -1.690 269 2HG GLN 34 HG1 GLN 34 17.790 -6.768 -0.961 270 1HE2 GLN 34 HE21 GLN 34 20.633 -6.374 -1.459 271 2HE2 GLN 34 HE22 GLN 34 21.332 -5.993 0.082 272 H ASP 35 HN ASP 35 14.797 -9.090 0.980 273 HA ASP 35 HA ASP 35 15.291 -11.708 2.004 274 1HB ASP 35 HB2 ASP 35 14.520 -9.711 3.340 275 2HB ASP 35 HB1 ASP 35 12.928 -9.943 2.634 276 HA PRO 36 HA PRO 36 12.716 -13.963 -0.784 277 1HB PRO 36 HB2 PRO 36 12.767 -16.079 1.262 278 2HB PRO 36 HB1 PRO 36 13.365 -16.104 -0.398 279 1HG PRO 36 HG2 PRO 36 15.041 -16.047 1.688 280 2HG PRO 36 HG1 PRO 36 15.404 -15.186 0.180 281 1HD PRO 36 HD2 PRO 36 14.343 -14.112 2.768 282 2HD PRO 36 HD1 PRO 36 15.581 -13.434 1.690 283 H SER 37 HN SER 37 11.754 -13.130 2.445 284 HA SER 37 HA SER 37 9.154 -14.394 2.246 285 1HB SER 37 HB2 SER 37 9.926 -12.190 4.158 286 2HB SER 37 HB1 SER 37 8.719 -13.457 4.384 287 HG SER 37 HG SER 37 11.500 -13.547 4.648 288 H ASN 38 HN ASN 38 10.707 -11.418 1.556 289 HA ASN 38 HA ASN 38 8.257 -9.929 1.142 290 1HB ASN 38 HB2 ASN 38 11.075 -9.083 0.459 291 2HB ASN 38 HB1 ASN 38 9.680 -8.048 0.759 292 1HD2 ASN 38 HD21 ASN 38 12.230 -7.948 2.051 293 2HD2 ASN 38 HD22 ASN 38 11.957 -8.241 3.742 294 H ALA 39 HN ALA 39 10.459 -11.863 -0.613 295 HA ALA 39 HA ALA 39 10.067 -10.987 -3.231 296 1HB ALA 39 HB1 ALA 39 10.673 -13.255 -3.907 297 2HB ALA 39 HB2 ALA 39 10.448 -13.811 -2.249 298 3HB ALA 39 HB3 ALA 39 11.732 -12.661 -2.628 299 H GLN 40 HN GLN 40 7.978 -12.775 -1.088 300 HA GLN 40 HA GLN 40 6.077 -13.771 -2.862 301 1HB GLN 40 HB2 GLN 40 5.995 -14.341 -0.521 302 2HB GLN 40 HB1 GLN 40 5.791 -12.658 -0.064 303 1HG GLN 40 HG2 GLN 40 3.707 -13.676 -1.848 304 2HG GLN 40 HG1 GLN 40 3.789 -14.488 -0.285 305 1HE2 GLN 40 HE21 GLN 40 3.089 -11.521 -1.943 306 2HE2 GLN 40 HE22 GLN 40 2.432 -10.672 -0.584 307 H PHE 41 HN PHE 41 6.217 -10.606 -1.260 308 HA PHE 41 HA PHE 41 3.986 -9.446 -2.531 309 1HB PHE 41 HB2 PHE 41 6.498 -8.146 -1.452 310 2HB PHE 41 HB1 PHE 41 5.038 -7.280 -1.920 311 HD1 PHE 41 HD1 PHE 41 6.711 -9.117 0.665 312 HD2 PHE 41 HD2 PHE 41 2.921 -7.712 -0.676 313 HE1 PHE 41 HE1 PHE 41 5.799 -9.434 2.931 314 HE2 PHE 41 HE2 PHE 41 2.004 -8.029 1.594 315 HZ PHE 41 HZ PHE 41 3.446 -8.890 3.396 316 H LEU 42 HN LEU 42 7.447 -9.013 -3.174 317 HA LEU 42 HA LEU 42 7.263 -7.427 -5.404 318 1HB LEU 42 HB2 LEU 42 9.305 -9.501 -4.655 319 2HB LEU 42 HB1 LEU 42 9.495 -8.451 -6.044 320 HG LEU 42 HG LEU 42 9.233 -7.521 -3.189 321 1HD1 LEU 42 HD11 LEU 42 11.339 -8.690 -3.586 322 2HD1 LEU 42 HD12 LEU 42 11.600 -6.959 -3.371 323 3HD1 LEU 42 HD13 LEU 42 11.649 -7.663 -4.987 324 1HD2 LEU 42 HD21 LEU 42 9.881 -5.999 -5.714 325 2HD2 LEU 42 HD22 LEU 42 9.854 -5.336 -4.080 326 3HD2 LEU 42 HD23 LEU 42 8.361 -5.914 -4.821 327 H GLU 43 HN GLU 43 7.164 -10.987 -5.291 328 HA GLU 43 HA GLU 43 7.190 -11.335 -8.088 329 1HB GLU 43 HB2 GLU 43 7.648 -13.141 -6.422 330 2HB GLU 43 HB1 GLU 43 5.926 -13.180 -6.059 331 1HG GLU 43 HG2 GLU 43 5.411 -13.862 -8.297 332 2HG GLU 43 HG1 GLU 43 7.093 -13.669 -8.788 333 H SER 44 HN SER 44 4.425 -11.495 -5.802 334 HA SER 44 HA SER 44 2.437 -11.764 -7.730 335 1HB SER 44 HB2 SER 44 2.317 -10.453 -5.010 336 2HB SER 44 HB1 SER 44 0.908 -10.911 -5.967 337 HG SER 44 HG SER 44 1.131 -12.849 -5.219 338 H ILE 45 HN ILE 45 3.903 -8.865 -6.357 339 HA ILE 45 HA ILE 45 2.129 -7.019 -7.578 340 HB ILE 45 HB ILE 45 4.928 -6.605 -6.506 341 1HG1 ILE 45 HG12 ILE 45 2.246 -6.061 -5.215 342 2HG1 ILE 45 HG11 ILE 45 3.230 -7.485 -4.890 343 1HG2 ILE 45 HG21 ILE 45 4.292 -4.793 -8.005 344 2HG2 ILE 45 HG22 ILE 45 4.319 -4.245 -6.326 345 3HG2 ILE 45 HG23 ILE 45 2.781 -4.585 -7.118 346 1HD1 ILE 45 HD11 ILE 45 5.003 -6.059 -4.023 347 2HD1 ILE 45 HD12 ILE 45 3.488 -5.817 -3.153 348 3HD1 ILE 45 HD13 ILE 45 4.018 -4.632 -4.349 349 H ARG 46 HN ARG 46 5.202 -8.462 -8.592 350 HA ARG 46 HA ARG 46 5.427 -6.852 -10.958 351 1HB ARG 46 HB2 ARG 46 6.766 -9.451 -10.187 352 2HB ARG 46 HB1 ARG 46 7.128 -8.566 -11.661 353 1HG ARG 46 HG2 ARG 46 7.936 -6.688 -10.395 354 2HG ARG 46 HG1 ARG 46 7.445 -7.454 -8.884 355 1HD ARG 46 HD2 ARG 46 9.759 -7.827 -9.049 356 2HD ARG 46 HD1 ARG 46 9.008 -9.353 -9.509 357 HE ARG 46 HE ARG 46 9.583 -7.647 -11.751 358 1HH1 ARG 46 HH11 ARG 46 10.888 -10.074 -9.585 359 2HH1 ARG 46 HH12 ARG 46 12.165 -10.550 -10.665 360 1HH2 ARG 46 HH21 ARG 46 11.292 -8.241 -13.167 361 2HH2 ARG 46 HH22 ARG 46 12.420 -9.468 -12.675 362 H ARG 47 HN ARG 47 3.836 -9.856 -10.144 363 HA ARG 47 HA ARG 47 3.359 -10.660 -12.850 364 1HB ARG 47 HB2 ARG 47 1.863 -11.435 -10.339 365 2HB ARG 47 HB1 ARG 47 1.731 -12.236 -11.897 366 1HG ARG 47 HG2 ARG 47 4.056 -12.207 -10.006 367 2HG ARG 47 HG1 ARG 47 3.122 -13.586 -10.582 368 1HD ARG 47 HD2 ARG 47 5.021 -11.877 -12.173 369 2HD ARG 47 HD1 ARG 47 5.250 -13.560 -11.701 370 HE ARG 47 HE ARG 47 2.932 -13.548 -13.163 371 1HH1 ARG 47 HH11 ARG 47 6.266 -12.669 -13.693 372 2HH1 ARG 47 HH12 ARG 47 6.191 -12.862 -15.419 373 1HH2 ARG 47 HH21 ARG 47 2.806 -13.860 -15.412 374 2HH2 ARG 47 HH22 ARG 47 4.202 -13.548 -16.409 375 H GLY 48 HN GLY 48 1.939 -8.383 -10.726 376 1HA GLY 48 HA2 GLY 48 0.337 -6.773 -11.386 377 2HA GLY 48 HA1 GLY 48 -0.193 -7.854 -12.668 378 H GLU 49 HN GLU 49 0.314 -9.244 -9.597 379 HA GLU 49 HA GLU 49 -2.591 -9.504 -9.225 380 1HB GLU 49 HB2 GLU 49 -0.322 -11.242 -8.242 381 2HB GLU 49 HB1 GLU 49 -2.018 -11.481 -7.843 382 1HG GLU 49 HG2 GLU 49 -2.532 -11.863 -10.190 383 2HG GLU 49 HG1 GLU 49 -0.844 -11.593 -10.610 384 H VAL 50 HN VAL 50 -3.220 -9.782 -6.904 385 HA VAL 50 HA VAL 50 -1.963 -7.669 -5.350 386 HB VAL 50 HB VAL 50 -4.356 -7.474 -5.739 387 1HG1 VAL 50 HG11 VAL 50 -4.626 -10.074 -4.236 388 2HG1 VAL 50 HG12 VAL 50 -4.945 -9.822 -5.952 389 3HG1 VAL 50 HG13 VAL 50 -5.957 -9.034 -4.742 390 1HG2 VAL 50 HG21 VAL 50 -5.081 -7.144 -3.416 391 2HG2 VAL 50 HG22 VAL 50 -3.443 -6.546 -3.683 392 3HG2 VAL 50 HG23 VAL 50 -3.697 -8.084 -2.859 393 HA PRO 51 HA PRO 51 0.076 -10.679 -2.727 394 1HB PRO 51 HB2 PRO 51 0.062 -8.324 -0.902 395 2HB PRO 51 HB1 PRO 51 1.406 -9.356 -1.395 396 1HG PRO 51 HG2 PRO 51 1.130 -6.909 -2.359 397 2HG PRO 51 HG1 PRO 51 1.712 -8.243 -3.374 398 1HD PRO 51 HD2 PRO 51 -0.973 -6.929 -3.309 399 2HD PRO 51 HD1 PRO 51 -0.068 -7.570 -4.695 400 H ALA 52 HN ALA 52 -0.765 -12.062 -1.331 401 HA ALA 52 HA ALA 52 -3.447 -12.014 -0.618 402 1HB ALA 52 HB1 ALA 52 -1.230 -13.619 0.645 403 2HB ALA 52 HB2 ALA 52 -2.133 -14.062 -0.804 404 3HB ALA 52 HB3 ALA 52 -2.957 -13.965 0.753 405 H GLU 53 HN GLU 53 -0.669 -10.777 1.089 406 HA GLU 53 HA GLU 53 -1.694 -10.581 3.666 407 1HB GLU 53 HB2 GLU 53 0.198 -8.745 2.195 408 2HB GLU 53 HB1 GLU 53 -0.090 -8.672 3.930 409 1HG GLU 53 HG2 GLU 53 1.084 -10.976 2.379 410 2HG GLU 53 HG1 GLU 53 1.939 -9.891 3.472 411 H LEU 54 HN LEU 54 -2.466 -8.730 0.829 412 HA LEU 54 HA LEU 54 -3.731 -6.588 2.358 413 1HB LEU 54 HB2 LEU 54 -3.938 -6.892 -0.618 414 2HB LEU 54 HB1 LEU 54 -3.935 -5.429 0.350 415 HG LEU 54 HG LEU 54 -1.531 -7.169 -0.138 416 1HD1 LEU 54 HD11 LEU 54 -2.345 -4.522 -1.328 417 2HD1 LEU 54 HD12 LEU 54 -2.310 -6.072 -2.167 418 3HD1 LEU 54 HD13 LEU 54 -0.806 -5.341 -1.599 419 1HD2 LEU 54 HD21 LEU 54 -1.369 -6.002 1.964 420 2HD2 LEU 54 HD22 LEU 54 -1.894 -4.498 1.211 421 3HD2 LEU 54 HD23 LEU 54 -0.328 -5.197 0.788 422 H ARG 55 HN ARG 55 -4.481 -9.169 0.127 423 HA ARG 55 HA ARG 55 -7.278 -8.794 0.054 424 1HB ARG 55 HB2 ARG 55 -5.721 -10.097 -1.542 425 2HB ARG 55 HB1 ARG 55 -5.889 -11.424 -0.406 426 1HG ARG 55 HG2 ARG 55 -8.248 -10.082 -1.711 427 2HG ARG 55 HG1 ARG 55 -7.407 -11.469 -2.412 428 1HD ARG 55 HD2 ARG 55 -7.886 -12.771 -0.397 429 2HD ARG 55 HD1 ARG 55 -8.719 -11.374 0.293 430 HE ARG 55 HE ARG 55 -9.740 -12.211 -2.270 431 1HH1 ARG 55 HH11 ARG 55 -9.973 -12.676 1.196 432 2HH1 ARG 55 HH12 ARG 55 -11.592 -13.307 1.130 433 1HH2 ARG 55 HH21 ARG 55 -11.845 -13.034 -2.371 434 2HH2 ARG 55 HH22 ARG 55 -12.648 -13.532 -0.910 435 H ARG 56 HN ARG 56 -5.147 -10.680 2.129 436 HA ARG 56 HA ARG 56 -7.362 -11.701 3.682 437 1HB ARG 56 HB2 ARG 56 -4.399 -11.857 4.262 438 2HB ARG 56 HB1 ARG 56 -5.665 -12.770 5.070 439 1HG ARG 56 HG2 ARG 56 -4.800 -13.021 2.200 440 2HG ARG 56 HG1 ARG 56 -4.540 -14.186 3.498 441 1HD ARG 56 HD2 ARG 56 -6.888 -14.626 3.655 442 2HD ARG 56 HD1 ARG 56 -7.257 -13.319 2.531 443 HE ARG 56 HE ARG 56 -5.519 -15.248 1.358 444 1HH1 ARG 56 HH11 ARG 56 -8.866 -14.657 2.211 445 2HH1 ARG 56 HH12 ARG 56 -9.496 -15.733 0.999 446 1HH2 ARG 56 HH21 ARG 56 -6.333 -16.615 -0.268 447 2HH2 ARG 56 HH22 ARG 56 -8.050 -16.845 -0.426 448 H LEU 57 HN LEU 57 -7.053 -8.859 3.415 449 HA LEU 57 HA LEU 57 -7.173 -8.203 6.265 450 1HB LEU 57 HB2 LEU 57 -4.978 -7.442 5.234 451 2HB LEU 57 HB1 LEU 57 -5.922 -6.395 4.196 452 HG LEU 57 HG LEU 57 -6.117 -6.180 7.189 453 1HD1 LEU 57 HD11 LEU 57 -3.752 -6.026 6.617 454 2HD1 LEU 57 HD12 LEU 57 -4.389 -4.456 7.107 455 3HD1 LEU 57 HD13 LEU 57 -4.117 -4.805 5.399 456 1HD2 LEU 57 HD21 LEU 57 -6.756 -3.887 6.689 457 2HD2 LEU 57 HD22 LEU 57 -7.804 -5.017 5.832 458 3HD2 LEU 57 HD23 LEU 57 -6.517 -4.176 4.965 459 H ALA 58 HN ALA 58 -7.499 -6.651 3.092 460 HA ALA 58 HA ALA 58 -10.076 -5.549 3.488 461 1HB ALA 58 HB1 ALA 58 -10.199 -5.417 1.059 462 2HB ALA 58 HB2 ALA 58 -8.827 -6.516 0.915 463 3HB ALA 58 HB3 ALA 58 -8.608 -4.920 1.623 464 H HIS 59 HN HIS 59 -12.041 -6.270 2.381 465 HA HIS 59 HA HIS 59 -12.582 -9.030 3.014 466 1HB HIS 59 HB2 HIS 59 -14.141 -6.629 2.589 467 2HB HIS 59 HB1 HIS 59 -14.834 -7.996 1.720 468 HD1 HIS 59 HD1 HIS 59 -16.204 -9.592 3.060 469 HD2 HIS 59 HD2 HIS 59 -13.806 -7.166 5.444 470 HE1 HIS 59 HE1 HIS 59 -16.878 -10.090 5.438 471 HE2 HIS 59 HE2 HIS 59 -15.349 -8.679 6.866 472 H GLY 60 HN GLY 60 -10.764 -8.426 0.777 473 1HA GLY 60 HA2 GLY 60 -10.227 -9.414 -1.212 474 2HA GLY 60 HA1 GLY 60 -11.595 -10.488 -0.954 475 H GLY 61 HN GLY 61 -12.299 -7.121 -1.017 476 1HA GLY 61 HA2 GLY 61 -13.400 -7.435 -3.704 477 2HA GLY 61 HA1 GLY 61 -13.812 -6.150 -2.573 478 H GLN 62 HN GLN 62 -13.116 -4.233 -3.297 479 HA GLN 62 HA GLN 62 -10.971 -3.859 -5.057 480 1HB GLN 62 HB2 GLN 62 -12.801 -2.252 -4.648 481 2HB GLN 62 HB1 GLN 62 -12.127 -1.924 -3.066 482 1HG GLN 62 HG2 GLN 62 -10.097 -1.054 -4.042 483 2HG GLN 62 HG1 GLN 62 -10.698 -1.422 -5.663 484 1HE2 GLN 62 HE21 GLN 62 -11.027 0.602 -2.875 485 2HE2 GLN 62 HE22 GLN 62 -11.945 1.857 -3.628 486 H VAL 63 HN VAL 63 -9.347 -5.194 -4.106 487 HA VAL 63 HA VAL 63 -7.939 -4.082 -1.809 488 HB VAL 63 HB VAL 63 -6.309 -5.984 -2.357 489 1HG1 VAL 63 HG11 VAL 63 -7.912 -6.139 -0.559 490 2HG1 VAL 63 HG12 VAL 63 -7.800 -7.687 -1.399 491 3HG1 VAL 63 HG13 VAL 63 -9.173 -6.621 -1.692 492 1HG2 VAL 63 HG21 VAL 63 -7.183 -7.801 -3.748 493 2HG2 VAL 63 HG22 VAL 63 -6.974 -6.324 -4.690 494 3HG2 VAL 63 HG23 VAL 63 -8.584 -6.811 -4.162 495 H ASN 64 HN ASN 64 -6.951 -2.186 -2.394 496 HA ASN 64 HA ASN 64 -5.490 -2.171 -4.951 497 1HB ASN 64 HB2 ASN 64 -7.512 -0.720 -4.866 498 2HB ASN 64 HB1 ASN 64 -6.758 0.189 -3.565 499 1HD2 ASN 64 HD21 ASN 64 -4.970 -1.119 -6.280 500 2HD2 ASN 64 HD22 ASN 64 -4.585 0.408 -6.993 501 H LEU 65 HN LEU 65 -3.405 -2.046 -4.762 502 HA LEU 65 HA LEU 65 -2.256 -0.806 -2.368 503 1HB LEU 65 HB2 LEU 65 -1.570 -3.064 -2.602 504 2HB LEU 65 HB1 LEU 65 -1.191 -2.856 -4.301 505 HG LEU 65 HG LEU 65 0.358 -1.230 -2.351 506 1HD1 LEU 65 HD11 LEU 65 0.756 -4.191 -2.775 507 2HD1 LEU 65 HD12 LEU 65 0.293 -3.405 -1.265 508 3HD1 LEU 65 HD13 LEU 65 1.888 -3.113 -1.959 509 1HD2 LEU 65 HD21 LEU 65 1.059 -2.764 -4.856 510 2HD2 LEU 65 HD22 LEU 65 2.156 -1.727 -3.944 511 3HD2 LEU 65 HD23 LEU 65 0.752 -1.030 -4.753 512 H ASP 66 HN ASP 66 -1.251 1.055 -2.530 513 HA ASP 66 HA ASP 66 -0.954 2.211 -5.222 514 1HB ASP 66 HB2 ASP 66 -2.460 3.151 -3.207 515 2HB ASP 66 HB1 ASP 66 -0.938 3.931 -2.797 516 H MET 67 HN MET 67 1.088 2.282 -5.912 517 HA MET 67 HA MET 67 3.248 2.080 -3.993 518 1HB MET 67 HB2 MET 67 3.269 2.150 -7.013 519 2HB MET 67 HB1 MET 67 4.706 1.966 -6.014 520 1HG MET 67 HG2 MET 67 3.714 -0.091 -5.056 521 2HG MET 67 HG1 MET 67 2.373 0.074 -6.188 522 1HE MET 67 HE1 MET 67 6.184 0.850 -6.773 523 2HE MET 67 HE2 MET 67 6.748 -0.677 -7.450 524 3HE MET 67 HE3 MET 67 6.214 -0.598 -5.769 525 H GLU 68 HN GLU 68 4.091 3.756 -3.075 526 HA GLU 68 HA GLU 68 4.276 6.305 -4.548 527 1HB GLU 68 HB2 GLU 68 3.010 6.092 -2.265 528 2HB GLU 68 HB1 GLU 68 4.626 6.018 -1.573 529 1HG GLU 68 HG2 GLU 68 5.134 8.176 -2.658 530 2HG GLU 68 HG1 GLU 68 3.453 8.265 -3.181 531 H ASP 69 HN ASP 69 6.338 7.307 -4.625 532 HA ASP 69 HA ASP 69 8.515 5.401 -4.135 533 1HB ASP 69 HB2 ASP 69 8.420 5.903 -6.428 534 2HB ASP 69 HB1 ASP 69 8.140 7.612 -6.134 535 H HIS 70 HN HIS 70 9.990 5.775 -2.677 536 HA HIS 70 HA HIS 70 10.738 8.476 -1.880 537 1HB HIS 70 HB2 HIS 70 9.558 6.468 0.043 538 2HB HIS 70 HB1 HIS 70 10.529 7.837 0.558 539 HD1 HIS 70 HD1 HIS 70 9.463 10.214 0.222 540 HD2 HIS 70 HD2 HIS 70 6.948 6.995 -0.497 541 HE1 HIS 70 HE1 HIS 70 7.136 11.128 0.413 542 HE2 HIS 70 HE2 HIS 70 5.662 9.261 -0.409 543 H ARG 71 HN ARG 71 12.153 6.585 -3.290 544 HA ARG 71 HA ARG 71 13.510 4.704 -1.736 545 1HB ARG 71 HB2 ARG 71 14.272 5.973 -4.363 546 2HB ARG 71 HB1 ARG 71 15.145 4.628 -3.632 547 1HG ARG 71 HG2 ARG 71 13.179 3.234 -3.742 548 2HG ARG 71 HG1 ARG 71 12.221 4.579 -4.357 549 1HD ARG 71 HD2 ARG 71 12.927 2.955 -6.095 550 2HD ARG 71 HD1 ARG 71 13.468 4.609 -6.401 551 HE ARG 71 HE ARG 71 15.289 2.662 -5.144 552 1HH1 ARG 71 HH11 ARG 71 14.429 4.730 -7.835 553 2HH1 ARG 71 HH12 ARG 71 16.020 4.696 -8.535 554 1HH2 ARG 71 HH21 ARG 71 17.380 2.582 -6.099 555 2HH2 ARG 71 HH22 ARG 71 17.686 3.466 -7.565 556 H ASP 72 HN ASP 72 14.487 8.003 -2.670 557 HA ASP 72 HA ASP 72 16.876 7.687 -1.039 558 1HB ASP 72 HB2 ASP 72 17.627 9.777 -1.916 559 2HB ASP 72 HB1 ASP 72 16.950 8.859 -3.254 560 H GLU 73 HN GLU 73 13.850 8.118 -0.193 561 HA GLU 73 HA GLU 73 14.168 10.377 1.621 562 1HB GLU 73 HB2 GLU 73 11.930 8.830 0.570 563 2HB GLU 73 HB1 GLU 73 11.797 9.114 2.297 564 1HG GLU 73 HG2 GLU 73 10.670 10.895 1.383 565 2HG GLU 73 HG1 GLU 73 12.264 11.570 1.710 566 H ASP 74 HN ASP 74 14.393 6.948 1.652 567 HA ASP 74 HA ASP 74 14.675 5.341 3.235 568 1HB ASP 74 HB2 ASP 74 16.167 7.246 4.331 569 2HB ASP 74 HB1 ASP 74 14.821 7.343 5.464 570 H PHE 75 HN PHE 75 13.643 4.976 5.744 571 HA PHE 75 HA PHE 75 10.989 4.431 4.784 572 1HB PHE 75 HB2 PHE 75 12.385 2.769 5.976 573 2HB PHE 75 HB1 PHE 75 12.238 3.732 7.438 574 HD1 PHE 75 HD1 PHE 75 11.301 1.924 8.707 575 HD2 PHE 75 HD2 PHE 75 9.387 3.254 5.155 576 HE1 PHE 75 HE1 PHE 75 9.302 0.627 9.291 577 HE2 PHE 75 HE2 PHE 75 7.393 1.960 5.731 578 HZ PHE 75 HZ PHE 75 7.347 0.643 7.805 579 H VAL 76 HN VAL 76 10.321 6.750 4.775 580 HA VAL 76 HA VAL 76 9.278 7.660 7.330 581 HB VAL 76 HB VAL 76 8.156 9.430 5.890 582 1HG1 VAL 76 HG11 VAL 76 11.169 9.256 5.842 583 2HG1 VAL 76 HG12 VAL 76 10.189 9.856 7.181 584 3HG1 VAL 76 HG13 VAL 76 10.218 10.729 5.648 585 1HG2 VAL 76 HG21 VAL 76 9.045 9.785 3.658 586 2HG2 VAL 76 HG22 VAL 76 8.253 8.211 3.778 587 3HG2 VAL 76 HG23 VAL 76 10.014 8.316 3.800 588 H LYS 77 HN LYS 77 7.919 5.967 7.861 589 HA LYS 77 HA LYS 77 5.901 5.062 6.010 590 1HB LYS 77 HB2 LYS 77 5.479 3.370 7.551 591 2HB LYS 77 HB1 LYS 77 7.199 3.667 7.740 592 1HG LYS 77 HG2 LYS 77 6.383 5.320 9.607 593 2HG LYS 77 HG1 LYS 77 4.954 4.289 9.586 594 1HD LYS 77 HD2 LYS 77 6.388 3.404 11.246 595 2HD LYS 77 HD1 LYS 77 6.528 2.326 9.851 596 1HE LYS 77 HE2 LYS 77 8.589 3.353 9.186 597 2HE LYS 77 HE1 LYS 77 8.426 4.586 10.447 598 1HZ LYS 77 HZ1 LYS 77 8.684 2.928 12.140 599 2HZ LYS 77 HZ2 LYS 77 9.980 2.783 11.051 600 3HZ LYS 77 HZ3 LYS 77 8.691 1.671 10.994 601 HA PRO 78 HA PRO 78 2.452 7.529 7.494 602 1HB PRO 78 HB2 PRO 78 0.899 5.021 7.314 603 2HB PRO 78 HB1 PRO 78 0.622 6.561 6.485 604 1HG PRO 78 HG2 PRO 78 1.522 4.439 5.148 605 2HG PRO 78 HG1 PRO 78 2.164 6.059 4.804 606 1HD PRO 78 HD2 PRO 78 3.359 3.862 6.455 607 2HD PRO 78 HD1 PRO 78 4.143 4.912 5.257 608 H LYS 79 HN LYS 79 2.888 4.263 8.628 609 HA LYS 79 HA LYS 79 1.233 4.129 10.797 610 1HB LYS 79 HB2 LYS 79 3.954 2.858 10.826 611 2HB LYS 79 HB1 LYS 79 2.442 2.229 11.463 612 1HG LYS 79 HG2 LYS 79 1.699 2.282 8.956 613 2HG LYS 79 HG1 LYS 79 3.449 2.296 8.652 614 1HD LYS 79 HD2 LYS 79 3.747 0.195 9.504 615 2HD LYS 79 HD1 LYS 79 2.374 0.322 10.607 616 1HE LYS 79 HE2 LYS 79 2.177 0.021 7.612 617 2HE LYS 79 HE1 LYS 79 1.997 -1.293 8.775 618 1HZ LYS 79 HZ1 LYS 79 0.244 1.096 8.520 619 2HZ LYS 79 HZ2 LYS 79 0.107 -0.065 9.746 620 3HZ LYS 79 HZ3 LYS 79 -0.159 -0.501 8.130 621 H GLY 80 HN GLY 80 4.752 4.546 11.221 622 1HA GLY 80 HA2 GLY 80 4.165 5.636 13.873 623 2HA GLY 80 HA1 GLY 80 5.675 4.892 13.384 624 H ALA 81 HN ALA 81 5.559 6.598 10.840 625 HA ALA 81 HA ALA 81 6.921 8.853 12.063 626 1HB ALA 81 HB1 ALA 81 7.989 7.695 10.177 627 2HB ALA 81 HB2 ALA 81 7.700 9.401 9.834 628 3HB ALA 81 HB3 ALA 81 6.646 8.168 9.138 629 H PHE 82 HN PHE 82 4.365 8.353 9.648 630 HA PHE 82 HA PHE 82 2.329 9.318 9.395 631 1HB PHE 82 HB2 PHE 82 2.320 9.058 11.911 632 2HB PHE 82 HB1 PHE 82 2.835 10.736 12.017 633 HD1 PHE 82 HD1 PHE 82 1.207 12.299 12.390 634 HD2 PHE 82 HD2 PHE 82 0.179 8.714 10.340 635 HE1 PHE 82 HE1 PHE 82 -1.142 13.021 12.309 636 HE2 PHE 82 HE2 PHE 82 -2.173 9.429 10.259 637 HZ PHE 82 HZ PHE 82 -2.835 11.587 11.244 638 H LYS 83 HN LYS 83 4.978 10.727 8.747 639 HA LYS 83 HA LYS 83 3.770 13.297 8.064 640 1HB LYS 83 HB2 LYS 83 5.880 14.461 8.722 641 2HB LYS 83 HB1 LYS 83 4.994 13.776 10.079 642 1HG LYS 83 HG2 LYS 83 6.553 11.766 9.843 643 2HG LYS 83 HG1 LYS 83 7.534 12.816 8.818 644 1HD LYS 83 HD2 LYS 83 7.892 14.357 10.608 645 2HD LYS 83 HD1 LYS 83 6.695 13.547 11.623 646 1HE LYS 83 HE2 LYS 83 8.117 11.528 11.622 647 2HE LYS 83 HE1 LYS 83 9.329 12.408 10.694 648 1HZ LYS 83 HZ1 LYS 83 9.581 13.950 12.523 649 2HZ LYS 83 HZ2 LYS 83 9.833 12.367 13.070 650 3HZ LYS 83 HZ3 LYS 83 8.374 13.156 13.410 651 H ALA 84 HN ALA 84 3.678 11.957 6.034 652 HA ALA 84 HA ALA 84 6.166 11.793 4.559 653 1HB ALA 84 HB1 ALA 84 4.400 10.127 4.177 654 2HB ALA 84 HB2 ALA 84 4.786 11.012 2.701 655 3HB ALA 84 HB3 ALA 84 3.325 11.405 3.607 656 H PHE 85 HN PHE 85 6.648 14.084 4.947 657 HA PHE 85 HA PHE 85 4.800 16.016 3.843 658 1HB PHE 85 HB2 PHE 85 6.195 17.701 4.952 659 2HB PHE 85 HB1 PHE 85 5.717 16.423 6.060 660 HD1 PHE 85 HD1 PHE 85 7.392 14.699 6.737 661 HD2 PHE 85 HD2 PHE 85 8.467 18.162 4.508 662 HE1 PHE 85 HE1 PHE 85 9.748 14.373 7.369 663 HE2 PHE 85 HE2 PHE 85 10.823 17.838 5.130 664 HZ PHE 85 HZ PHE 85 11.466 15.942 6.562 665 H THR 86 HN THR 86 6.351 14.350 1.938 666 HA THR 86 HA THR 86 7.348 16.512 0.320 667 HB THR 86 HB THR 86 9.320 16.036 1.687 668 HG1 THR 86 HG1 THR 86 9.995 14.880 -0.783 669 1HG2 THR 86 HG21 THR 86 8.870 13.704 2.249 670 2HG2 THR 86 HG22 THR 86 10.469 13.876 1.527 671 3HG2 THR 86 HG23 THR 86 9.135 13.238 0.568 672 H GLY 87 HN GLY 87 7.605 15.969 -1.868 673 1HA GLY 87 HA2 GLY 87 7.799 14.326 -3.616 674 2HA GLY 87 HA1 GLY 87 6.897 13.207 -2.608 675 H GLU 88 HN GLU 88 6.711 15.847 -4.834 676 HA GLU 88 HA GLU 88 3.914 16.332 -4.538 677 1HB GLU 88 HB2 GLU 88 5.404 18.068 -5.356 678 2HB GLU 88 HB1 GLU 88 5.836 17.079 -6.743 679 1HG GLU 88 HG2 GLU 88 3.576 17.228 -7.590 680 2HG GLU 88 HG1 GLU 88 3.084 18.142 -6.165 681 H GLY 89 HN GLY 89 5.786 14.870 -7.215 682 1HA GLY 89 HA2 GLY 89 3.377 13.964 -8.510 683 2HA GLY 89 HA1 GLY 89 5.024 13.671 -9.041 684 H GLN 90 HN GLN 90 3.497 12.842 -5.964 685 HA GLN 90 HA GLN 90 3.905 9.990 -6.608 686 1HB GLN 90 HB2 GLN 90 4.030 11.095 -3.814 687 2HB GLN 90 HB1 GLN 90 4.605 9.543 -4.401 688 1HG GLN 90 HG2 GLN 90 6.440 10.581 -5.533 689 2HG GLN 90 HG1 GLN 90 5.816 12.188 -5.156 690 1HE2 GLN 90 HE21 GLN 90 8.393 11.203 -4.499 691 2HE2 GLN 90 HE22 GLN 90 8.513 11.186 -2.769 692 H LYS 91 HN LYS 91 1.777 12.447 -5.669 693 HA LYS 91 HA LYS 91 -0.011 10.810 -4.122 694 1HB LYS 91 HB2 LYS 91 -0.007 13.647 -5.066 695 2HB LYS 91 HB1 LYS 91 -1.526 12.930 -4.557 696 1HG LYS 91 HG2 LYS 91 -0.593 14.124 -2.716 697 2HG LYS 91 HG1 LYS 91 -0.491 12.401 -2.369 698 1HD LYS 91 HD2 LYS 91 1.877 13.541 -3.687 699 2HD LYS 91 HD1 LYS 91 1.555 14.167 -2.071 700 1HE LYS 91 HE2 LYS 91 1.402 11.779 -1.293 701 2HE LYS 91 HE1 LYS 91 1.975 11.294 -2.886 702 1HZ LYS 91 HZ1 LYS 91 3.803 11.393 -1.332 703 2HZ LYS 91 HZ2 LYS 91 3.441 13.010 -0.953 704 3HZ LYS 91 HZ3 LYS 91 3.986 12.610 -2.501 705 H LEU 92 HN LEU 92 -0.889 12.810 -6.919 706 HA LEU 92 HA LEU 92 -2.300 12.470 -8.648 707 1HB LEU 92 HB2 LEU 92 -1.017 9.759 -8.477 708 2HB LEU 92 HB1 LEU 92 -2.229 10.119 -9.689 709 HG LEU 92 HG LEU 92 -0.127 10.376 -10.740 710 1HD1 LEU 92 HD11 LEU 92 -0.085 12.751 -11.341 711 2HD1 LEU 92 HD12 LEU 92 -1.160 13.102 -9.987 712 3HD1 LEU 92 HD13 LEU 92 -1.722 12.096 -11.322 713 1HD2 LEU 92 HD21 LEU 92 1.262 10.523 -8.736 714 2HD2 LEU 92 HD22 LEU 92 0.697 12.172 -8.462 715 3HD2 LEU 92 HD23 LEU 92 1.660 11.793 -9.891 716 H GLY 93 HN GLY 93 -2.779 9.138 -7.646 717 1HA GLY 93 HA2 GLY 93 -5.601 9.817 -7.108 718 2HA GLY 93 HA1 GLY 93 -5.031 8.261 -7.697 719 H SER 94 HN SER 94 -2.777 8.991 -5.554 720 HA SER 94 HA SER 94 -3.672 7.113 -3.646 721 1HB SER 94 HB2 SER 94 -1.269 7.639 -4.186 722 2HB SER 94 HB1 SER 94 -1.456 9.144 -3.290 723 HG SER 94 HG SER 94 -0.831 6.777 -2.341 724 H THR 95 HN THR 95 -4.003 10.535 -3.906 725 HA THR 95 HA THR 95 -5.024 10.718 -1.162 726 HB THR 95 HB THR 95 -4.942 13.253 -1.751 727 HG1 THR 95 HG1 THR 95 -4.207 13.629 -3.696 728 1HG2 THR 95 HG21 THR 95 -2.597 13.363 -1.038 729 2HG2 THR 95 HG22 THR 95 -2.415 11.643 -1.384 730 3HG2 THR 95 HG23 THR 95 -3.500 12.173 -0.099 731 H ALA 96 HN ALA 96 -6.416 9.711 -3.697 732 HA ALA 96 HA ALA 96 -8.655 11.614 -3.778 733 1HB ALA 96 HB1 ALA 96 -8.039 9.298 -5.615 734 2HB ALA 96 HB2 ALA 96 -7.697 10.996 -5.948 735 3HB ALA 96 HB3 ALA 96 -9.366 10.445 -5.800 736 HA PRO 97 HA PRO 97 -10.466 8.582 -0.973 737 1HB PRO 97 HB2 PRO 97 -12.536 10.592 -0.553 738 2HB PRO 97 HB1 PRO 97 -11.350 9.958 0.591 739 1HG PRO 97 HG2 PRO 97 -11.254 12.494 -0.360 740 2HG PRO 97 HG1 PRO 97 -9.801 11.581 0.085 741 1HD PRO 97 HD2 PRO 97 -10.969 12.081 -2.629 742 2HD PRO 97 HD1 PRO 97 -9.270 12.123 -2.108 743 H GLN 98 HN GLN 98 -11.882 10.124 -3.722 744 HA GLN 98 HA GLN 98 -13.825 7.949 -3.923 745 1HB GLN 98 HB2 GLN 98 -14.452 10.869 -3.865 746 2HB GLN 98 HB1 GLN 98 -15.408 9.816 -4.901 747 1HG GLN 98 HG2 GLN 98 -15.027 9.484 -1.933 748 2HG GLN 98 HG1 GLN 98 -16.450 10.169 -2.716 749 1HE2 GLN 98 HE21 GLN 98 -16.249 7.847 -0.985 750 2HE2 GLN 98 HE22 GLN 98 -16.845 6.505 -1.904 751 H VAL 99 HN VAL 99 -13.508 6.963 -5.764 752 HA VAL 99 HA VAL 99 -12.376 8.312 -8.061 753 HB VAL 99 HB VAL 99 -11.807 5.951 -7.540 754 1HG1 VAL 99 HG11 VAL 99 -14.689 5.413 -8.244 755 2HG1 VAL 99 HG12 VAL 99 -13.912 5.150 -6.683 756 3HG1 VAL 99 HG13 VAL 99 -13.446 4.173 -8.076 757 1HG2 VAL 99 HG21 VAL 99 -13.200 6.321 -10.186 758 2HG2 VAL 99 HG22 VAL 99 -12.010 5.073 -9.812 759 3HG2 VAL 99 HG23 VAL 99 -11.537 6.773 -9.814 760 H LEU 100 HN LEU 100 -15.471 7.631 -6.781 761 HA LEU 100 HA LEU 100 -16.977 7.727 -9.204 762 1HB LEU 100 HB2 LEU 100 -17.608 6.843 -6.815 763 2HB LEU 100 HB1 LEU 100 -18.078 8.503 -6.522 764 HG LEU 100 HG LEU 100 -19.223 6.780 -8.726 765 1HD1 LEU 100 HD11 LEU 100 -21.213 6.623 -7.313 766 2HD1 LEU 100 HD12 LEU 100 -20.369 7.488 -6.028 767 3HD1 LEU 100 HD13 LEU 100 -19.810 5.894 -6.531 768 1HD2 LEU 100 HD21 LEU 100 -19.357 9.163 -9.205 769 2HD2 LEU 100 HD22 LEU 100 -20.079 9.453 -7.622 770 3HD2 LEU 100 HD23 LEU 100 -20.954 8.514 -8.832 771 H SER 101 HN SER 101 -16.354 10.064 -6.603 772 HA SER 101 HA SER 101 -16.989 12.223 -8.496 773 1HB SER 101 HB2 SER 101 -17.103 12.302 -5.467 774 2HB SER 101 HB1 SER 101 -17.558 13.608 -6.561 775 HG SER 101 HG SER 101 -19.072 11.912 -7.451 776 H THR 102 HN THR 102 -15.098 12.898 -9.322 777 HA THR 102 HA THR 102 -12.720 12.985 -7.631 778 HB THR 102 HB THR 102 -12.956 13.631 -10.575 779 HG1 THR 102 HG1 THR 102 -12.994 11.245 -9.233 780 1HG2 THR 102 HG21 THR 102 -10.574 12.910 -8.860 781 2HG2 THR 102 HG22 THR 102 -10.939 14.512 -9.499 782 3HG2 THR 102 HG23 THR 102 -10.541 13.193 -10.601 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -33.844 -1.014 3.649 2 2H GLY 1 HT2 GLY 1 -35.384 -0.745 2.991 3 3H GLY 1 HT3 GLY 1 -35.082 -0.385 4.622 4 1HA GLY 1 HA1 GLY 1 -33.915 0.993 2.273 5 2HA GLY 1 HA2 GLY 1 -35.131 1.642 3.364 6 H SER 2 HN SER 2 -33.008 3.155 3.067 7 HA SER 2 HA SER 2 -31.160 4.108 3.969 8 1HB SER 2 HB2 SER 2 -31.267 4.408 6.457 9 2HB SER 2 HB1 SER 2 -32.747 4.843 5.609 10 HG SER 2 HG SER 2 -33.724 3.486 6.853 11 H GLU 3 HN GLU 3 -30.660 1.515 3.147 12 HA GLU 3 HA GLU 3 -29.366 -0.108 5.044 13 1HB GLU 3 HB2 GLU 3 -30.152 -0.926 2.869 14 2HB GLU 3 HB1 GLU 3 -28.978 0.091 2.048 15 1HG GLU 3 HG2 GLU 3 -27.188 -1.232 2.712 16 2HG GLU 3 HG1 GLU 3 -28.108 -1.989 4.013 17 H LYS 4 HN LYS 4 -27.219 -0.302 5.621 18 HA LYS 4 HA LYS 4 -25.850 2.201 5.706 19 1HB LYS 4 HB2 LYS 4 -24.917 -0.504 6.679 20 2HB LYS 4 HB1 LYS 4 -24.208 1.051 7.101 21 1HG LYS 4 HG2 LYS 4 -26.650 1.587 7.899 22 2HG LYS 4 HG1 LYS 4 -26.767 -0.172 7.989 23 1HD LYS 4 HD2 LYS 4 -26.089 0.676 10.134 24 2HD LYS 4 HD1 LYS 4 -24.731 -0.183 9.405 25 1HE LYS 4 HE2 LYS 4 -24.020 1.913 10.445 26 2HE LYS 4 HE1 LYS 4 -23.750 1.929 8.703 27 1HZ LYS 4 HZ1 LYS 4 -26.066 3.187 10.077 28 2HZ LYS 4 HZ2 LYS 4 -25.727 3.263 8.419 29 3HZ LYS 4 HZ3 LYS 4 -24.694 4.017 9.531 30 H ARG 5 HN ARG 5 -25.229 2.781 3.747 31 HA ARG 5 HA ARG 5 -22.962 1.334 2.574 32 1HB ARG 5 HB2 ARG 5 -24.888 0.833 1.192 33 2HB ARG 5 HB1 ARG 5 -25.354 2.525 1.152 34 1HG ARG 5 HG2 ARG 5 -23.442 3.065 -0.213 35 2HG ARG 5 HG1 ARG 5 -22.847 1.405 -0.083 36 1HD ARG 5 HD2 ARG 5 -24.683 0.554 -1.308 37 2HD ARG 5 HD1 ARG 5 -25.555 2.078 -1.196 38 HE ARG 5 HE ARG 5 -23.219 2.649 -2.553 39 1HH1 ARG 5 HH11 ARG 5 -25.922 0.456 -2.996 40 2HH1 ARG 5 HH12 ARG 5 -25.924 0.614 -4.729 41 1HH2 ARG 5 HH21 ARG 5 -23.211 2.840 -4.824 42 2HH2 ARG 5 HH22 ARG 5 -24.376 1.964 -5.770 43 H GLN 6 HN GLN 6 -24.844 4.292 2.082 44 HA GLN 6 HA GLN 6 -24.354 6.495 2.137 45 1HB GLN 6 HB2 GLN 6 -22.709 5.595 4.496 46 2HB GLN 6 HB1 GLN 6 -23.247 7.242 4.192 47 1HG GLN 6 HG2 GLN 6 -25.009 4.855 4.709 48 2HG GLN 6 HG1 GLN 6 -24.667 6.170 5.831 49 1HE2 GLN 6 HE21 GLN 6 -24.792 8.240 3.810 50 2HE2 GLN 6 HE22 GLN 6 -26.462 8.425 3.401 51 H HIS 7 HN HIS 7 -21.177 5.703 3.451 52 HA HIS 7 HA HIS 7 -20.103 7.485 1.398 53 1HB HIS 7 HB2 HIS 7 -19.101 6.690 4.117 54 2HB HIS 7 HB1 HIS 7 -18.066 7.503 2.947 55 HD1 HIS 7 HD1 HIS 7 -19.529 9.753 1.879 56 HD2 HIS 7 HD2 HIS 7 -20.159 8.514 5.804 57 HE1 HIS 7 HE1 HIS 7 -20.508 11.740 3.072 58 HE2 HIS 7 HE2 HIS 7 -21.050 10.913 5.385 59 H SER 8 HN SER 8 -20.536 4.341 1.436 60 HA SER 8 HA SER 8 -17.922 3.499 0.573 61 1HB SER 8 HB2 SER 8 -20.642 2.203 0.222 62 2HB SER 8 HB1 SER 8 -19.104 1.446 -0.192 63 HG SER 8 HG SER 8 -18.738 2.220 2.230 64 H SER 9 HN SER 9 -17.974 5.597 -0.772 65 HA SER 9 HA SER 9 -19.405 5.262 -3.304 66 1HB SER 9 HB2 SER 9 -17.975 7.752 -2.378 67 2HB SER 9 HB1 SER 9 -19.237 7.607 -3.602 68 HG SER 9 HG SER 9 -20.736 7.546 -2.092 69 H GLN 10 HN GLN 10 -16.273 5.201 -1.893 70 HA GLN 10 HA GLN 10 -14.496 4.028 -2.737 71 1HB GLN 10 HB2 GLN 10 -15.770 4.329 -5.451 72 2HB GLN 10 HB1 GLN 10 -14.371 3.337 -5.076 73 1HG GLN 10 HG2 GLN 10 -15.641 1.796 -3.873 74 2HG GLN 10 HG1 GLN 10 -17.006 2.909 -3.720 75 1HE2 GLN 10 HE21 GLN 10 -16.907 3.765 -6.480 76 2HE2 GLN 10 HE22 GLN 10 -17.512 2.457 -7.430 77 H ASP 11 HN ASP 11 -14.249 6.863 -2.308 78 HA ASP 11 HA ASP 11 -12.278 7.461 -4.417 79 1HB ASP 11 HB2 ASP 11 -13.772 9.317 -4.245 80 2HB ASP 11 HB1 ASP 11 -13.647 9.330 -2.490 81 H VAL 12 HN VAL 12 -10.278 6.964 -3.926 82 HA VAL 12 HA VAL 12 -9.127 7.806 -1.412 83 HB VAL 12 HB VAL 12 -7.948 5.512 -1.275 84 1HG1 VAL 12 HG11 VAL 12 -9.648 4.724 0.340 85 2HG1 VAL 12 HG12 VAL 12 -10.722 5.996 -0.244 86 3HG1 VAL 12 HG13 VAL 12 -9.203 6.419 0.543 87 1HG2 VAL 12 HG21 VAL 12 -9.576 3.650 -1.771 88 2HG2 VAL 12 HG22 VAL 12 -8.843 4.424 -3.174 89 3HG2 VAL 12 HG23 VAL 12 -10.496 4.827 -2.714 90 H HIS 13 HN HIS 13 -6.991 8.300 -1.624 91 HA HIS 13 HA HIS 13 -5.670 7.463 -4.118 92 1HB HIS 13 HB2 HIS 13 -4.625 9.431 -2.056 93 2HB HIS 13 HB1 HIS 13 -3.991 9.150 -3.672 94 HD1 HIS 13 HD1 HIS 13 -4.799 11.964 -2.688 95 HD2 HIS 13 HD2 HIS 13 -7.265 9.432 -4.881 96 HE1 HIS 13 HE1 HIS 13 -6.507 13.454 -3.771 97 HE2 HIS 13 HE2 HIS 13 -8.140 11.871 -4.851 98 H VAL 14 HN VAL 14 -4.939 5.436 -3.741 99 HA VAL 14 HA VAL 14 -3.857 4.882 -1.067 100 HB VAL 14 HB VAL 14 -4.800 2.872 -3.120 101 1HG1 VAL 14 HG11 VAL 14 -4.652 1.257 -1.378 102 2HG1 VAL 14 HG12 VAL 14 -4.317 2.499 -0.175 103 3HG1 VAL 14 HG13 VAL 14 -3.118 2.128 -1.415 104 1HG2 VAL 14 HG21 VAL 14 -6.240 3.946 -0.696 105 2HG2 VAL 14 HG22 VAL 14 -6.789 2.612 -1.710 106 3HG2 VAL 14 HG23 VAL 14 -6.671 4.238 -2.382 107 H VAL 15 HN VAL 15 -1.753 5.304 -1.166 108 HA VAL 15 HA VAL 15 -0.190 4.272 -3.377 109 HB VAL 15 HB VAL 15 0.429 6.465 -2.593 110 1HG1 VAL 15 HG11 VAL 15 -0.360 6.332 -0.301 111 2HG1 VAL 15 HG12 VAL 15 1.317 6.873 -0.360 112 3HG1 VAL 15 HG13 VAL 15 0.944 5.211 0.093 113 1HG2 VAL 15 HG21 VAL 15 2.816 6.106 -2.138 114 2HG2 VAL 15 HG22 VAL 15 2.219 5.067 -3.432 115 3HG2 VAL 15 HG23 VAL 15 2.484 4.404 -1.820 116 H LEU 16 HN LEU 16 0.495 2.300 -3.398 117 HA LEU 16 HA LEU 16 0.682 0.818 -0.863 118 1HB LEU 16 HB2 LEU 16 -0.680 0.125 -3.044 119 2HB LEU 16 HB1 LEU 16 0.880 -0.495 -3.539 120 HG LEU 16 HG LEU 16 -0.774 -1.345 -1.177 121 1HD1 LEU 16 HD11 LEU 16 -1.451 -2.353 -3.234 122 2HD1 LEU 16 HD12 LEU 16 -0.573 -3.549 -2.275 123 3HD1 LEU 16 HD13 LEU 16 0.219 -2.753 -3.633 124 1HD2 LEU 16 HD21 LEU 16 2.043 -2.134 -1.886 125 2HD2 LEU 16 HD22 LEU 16 1.042 -2.926 -0.670 126 3HD2 LEU 16 HD23 LEU 16 1.533 -1.246 -0.450 127 H LYS 17 HN LYS 17 2.658 0.589 -0.069 128 HA LYS 17 HA LYS 17 4.917 0.716 -1.941 129 1HB LYS 17 HB2 LYS 17 4.935 1.307 1.035 130 2HB LYS 17 HB1 LYS 17 6.279 1.504 -0.082 131 1HG LYS 17 HG2 LYS 17 5.168 3.283 -1.221 132 2HG LYS 17 HG1 LYS 17 3.673 2.984 -0.336 133 1HD LYS 17 HD2 LYS 17 4.780 3.602 1.746 134 2HD LYS 17 HD1 LYS 17 6.277 3.898 0.860 135 1HE LYS 17 HE2 LYS 17 3.676 5.328 0.339 136 2HE LYS 17 HE1 LYS 17 4.951 5.959 1.375 137 1HZ LYS 17 HZ1 LYS 17 6.429 6.043 -0.509 138 2HZ LYS 17 HZ2 LYS 17 5.006 6.874 -0.888 139 3HZ LYS 17 HZ3 LYS 17 5.270 5.334 -1.516 140 H LEU 18 HN LEU 18 6.479 -0.810 -1.902 141 HA LEU 18 HA LEU 18 5.760 -3.370 -0.631 142 1HB LEU 18 HB2 LEU 18 6.079 -3.934 -2.805 143 2HB LEU 18 HB1 LEU 18 6.974 -2.470 -3.154 144 HG LEU 18 HG LEU 18 9.002 -3.578 -2.140 145 1HD1 LEU 18 HD11 LEU 18 7.305 -6.058 -2.361 146 2HD1 LEU 18 HD12 LEU 18 7.872 -5.331 -0.858 147 3HD1 LEU 18 HD13 LEU 18 9.031 -6.002 -2.005 148 1HD2 LEU 18 HD21 LEU 18 8.694 -3.357 -4.530 149 2HD2 LEU 18 HD22 LEU 18 7.724 -4.831 -4.562 150 3HD2 LEU 18 HD23 LEU 18 9.438 -4.912 -4.151 151 H TRP 19 HN TRP 19 6.935 -4.054 1.030 152 HA TRP 19 HA TRP 19 9.524 -2.748 1.554 153 1HB TRP 19 HB2 TRP 19 7.771 -4.001 3.654 154 2HB TRP 19 HB1 TRP 19 9.095 -2.868 3.876 155 HD1 TRP 19 HD1 TRP 19 5.411 -3.080 3.441 156 HE1 TRP 19 HE1 TRP 19 4.400 -0.729 3.584 157 HE3 TRP 19 HE3 TRP 19 9.679 -0.298 2.956 158 HZ2 TRP 19 HZ2 TRP 19 5.258 1.905 3.509 159 HZ3 TRP 19 HZ3 TRP 19 9.465 2.152 2.947 160 HH2 TRP 19 HH2 TRP 19 7.300 3.234 3.203 161 H LYS 20 HN LYS 20 10.455 -4.382 3.549 162 HA LYS 20 HA LYS 20 11.103 -6.732 2.044 163 1HB LYS 20 HB2 LYS 20 12.678 -7.237 3.849 164 2HB LYS 20 HB1 LYS 20 12.858 -5.588 3.283 165 1HG LYS 20 HG2 LYS 20 13.014 -5.278 5.541 166 2HG LYS 20 HG1 LYS 20 11.280 -5.038 5.315 167 1HD LYS 20 HD2 LYS 20 10.782 -7.225 6.113 168 2HD LYS 20 HD1 LYS 20 12.475 -7.721 6.016 169 1HE LYS 20 HE2 LYS 20 12.024 -7.360 8.306 170 2HE LYS 20 HE1 LYS 20 12.961 -5.970 7.765 171 1HZ LYS 20 HZ1 LYS 20 11.035 -5.405 9.190 172 2HZ LYS 20 HZ2 LYS 20 10.004 -5.986 7.973 173 3HZ LYS 20 HZ3 LYS 20 10.995 -4.645 7.672 174 H SER 21 HN SER 21 9.075 -5.979 4.800 175 HA SER 21 HA SER 21 8.572 -8.784 5.326 176 1HB SER 21 HB2 SER 21 7.258 -6.337 6.523 177 2HB SER 21 HB1 SER 21 7.066 -7.992 7.092 178 HG SER 21 HG SER 21 8.649 -7.382 8.357 179 H GLY 22 HN GLY 22 6.921 -6.024 3.890 180 1HA GLY 22 HA2 GLY 22 5.132 -7.682 2.449 181 2HA GLY 22 HA1 GLY 22 4.340 -7.006 3.862 182 H PHE 23 HN PHE 23 2.991 -5.579 3.048 183 HA PHE 23 HA PHE 23 4.017 -3.453 1.309 184 1HB PHE 23 HB2 PHE 23 2.092 -3.773 -0.210 185 2HB PHE 23 HB1 PHE 23 3.128 -5.194 -0.162 186 HD1 PHE 23 HD1 PHE 23 -0.139 -3.812 0.672 187 HD2 PHE 23 HD2 PHE 23 2.366 -7.239 0.947 188 HE1 PHE 23 HE1 PHE 23 -2.071 -5.175 1.319 189 HE2 PHE 23 HE2 PHE 23 0.434 -8.605 1.590 190 HZ PHE 23 HZ PHE 23 -1.790 -7.576 1.778 191 H SER 24 HN SER 24 3.130 -1.485 1.753 192 HA SER 24 HA SER 24 0.886 -1.472 3.674 193 1HB SER 24 HB2 SER 24 1.748 0.651 4.522 194 2HB SER 24 HB1 SER 24 3.006 -0.584 4.612 195 HG SER 24 HG SER 24 2.940 0.812 2.244 196 H LEU 25 HN LEU 25 -0.864 -0.374 3.181 197 HA LEU 25 HA LEU 25 -0.895 1.063 0.622 198 1HB LEU 25 HB2 LEU 25 -3.298 0.129 2.187 199 2HB LEU 25 HB1 LEU 25 -3.237 0.621 0.508 200 HG LEU 25 HG LEU 25 -1.678 -1.465 0.258 201 1HD1 LEU 25 HD11 LEU 25 -1.438 -2.047 2.560 202 2HD1 LEU 25 HD12 LEU 25 -2.374 -3.310 1.757 203 3HD1 LEU 25 HD13 LEU 25 -3.189 -2.119 2.768 204 1HD2 LEU 25 HD21 LEU 25 -3.629 -2.858 -0.245 205 2HD2 LEU 25 HD22 LEU 25 -3.787 -1.222 -0.884 206 3HD2 LEU 25 HD23 LEU 25 -4.657 -1.688 0.576 207 H ASP 26 HN ASP 26 -2.563 2.983 0.711 208 HA ASP 26 HA ASP 26 -1.888 4.804 2.723 209 1HB ASP 26 HB2 ASP 26 -2.924 5.423 0.549 210 2HB ASP 26 HB1 ASP 26 -4.448 4.741 1.110 211 H ASN 27 HN ASN 27 -4.415 2.448 2.466 212 HA ASN 27 HA ASN 27 -5.814 3.216 4.853 213 1HB ASN 27 HB2 ASN 27 -7.020 0.979 4.329 214 2HB ASN 27 HB1 ASN 27 -7.193 2.291 3.161 215 1HD2 ASN 27 HD21 ASN 27 -5.494 -0.712 3.855 216 2HD2 ASN 27 HD22 ASN 27 -5.015 -1.052 2.222 217 H GLY 28 HN GLY 28 -3.307 2.817 5.781 218 1HA GLY 28 HA2 GLY 28 -3.322 1.598 8.022 219 2HA GLY 28 HA1 GLY 28 -3.450 0.149 7.042 220 H GLU 29 HN GLU 29 -1.555 -0.540 8.131 221 HA GLU 29 HA GLU 29 0.894 0.915 7.448 222 1HB GLU 29 HB2 GLU 29 0.344 -1.138 9.588 223 2HB GLU 29 HB1 GLU 29 1.923 -0.431 9.276 224 1HG GLU 29 HG2 GLU 29 1.012 1.788 9.782 225 2HG GLU 29 HG1 GLU 29 -0.548 1.049 10.140 226 H LEU 30 HN LEU 30 2.767 -0.978 7.815 227 HA LEU 30 HA LEU 30 2.886 -2.319 5.342 228 1HB LEU 30 HB2 LEU 30 4.794 -1.444 6.616 229 2HB LEU 30 HB1 LEU 30 4.527 -2.602 7.872 230 HG LEU 30 HG LEU 30 5.786 -2.947 5.190 231 1HD1 LEU 30 HD11 LEU 30 7.393 -2.600 6.789 232 2HD1 LEU 30 HD12 LEU 30 7.334 -4.354 6.686 233 3HD1 LEU 30 HD13 LEU 30 6.528 -3.524 8.013 234 1HD2 LEU 30 HD21 LEU 30 5.764 -5.350 5.389 235 2HD2 LEU 30 HD22 LEU 30 4.130 -4.709 5.223 236 3HD2 LEU 30 HD23 LEU 30 4.716 -5.236 6.801 237 H ARG 31 HN ARG 31 1.542 -3.887 4.874 238 HA ARG 31 HA ARG 31 0.748 -5.926 6.788 239 1HB ARG 31 HB2 ARG 31 0.106 -5.466 3.868 240 2HB ARG 31 HB1 ARG 31 -0.547 -6.790 4.816 241 1HG ARG 31 HG2 ARG 31 -0.951 -3.940 5.646 242 2HG ARG 31 HG1 ARG 31 -1.999 -4.719 4.456 243 1HD ARG 31 HD2 ARG 31 -2.353 -6.559 6.140 244 2HD ARG 31 HD1 ARG 31 -1.519 -5.532 7.314 245 HE ARG 31 HE ARG 31 -3.393 -3.863 6.615 246 1HH1 ARG 31 HH11 ARG 31 -3.711 -7.333 7.002 247 2HH1 ARG 31 HH12 ARG 31 -5.380 -7.244 7.477 248 1HH2 ARG 31 HH21 ARG 31 -5.598 -3.761 7.228 249 2HH2 ARG 31 HH22 ARG 31 -6.448 -5.237 7.611 250 H SER 32 HN SER 32 2.332 -7.424 7.178 251 HA SER 32 HA SER 32 4.406 -8.073 5.398 252 1HB SER 32 HB2 SER 32 3.357 -9.808 7.644 253 2HB SER 32 HB1 SER 32 4.982 -9.825 6.945 254 HG SER 32 HG SER 32 3.770 -7.777 8.502 255 H TYR 33 HN TYR 33 4.781 -9.900 4.101 256 HA TYR 33 HA TYR 33 2.516 -10.467 2.479 257 1HB TYR 33 HB2 TYR 33 5.377 -11.418 2.372 258 2HB TYR 33 HB1 TYR 33 4.173 -11.861 1.168 259 HD1 TYR 33 HD1 TYR 33 2.756 -9.555 0.470 260 HD2 TYR 33 HD2 TYR 33 6.856 -9.805 1.579 261 HE1 TYR 33 HE1 TYR 33 3.214 -7.503 -0.789 262 HE2 TYR 33 HE2 TYR 33 7.334 -7.738 0.325 263 HH TYR 33 HH TYR 33 4.896 -5.682 -0.750 264 H GLN 34 HN GLN 34 3.855 -12.162 5.145 265 HA GLN 34 HA GLN 34 3.048 -14.785 4.228 266 1HB GLN 34 HB2 GLN 34 4.027 -13.861 6.925 267 2HB GLN 34 HB1 GLN 34 3.769 -15.539 6.464 268 1HG GLN 34 HG2 GLN 34 5.467 -15.274 4.690 269 2HG GLN 34 HG1 GLN 34 5.772 -13.637 5.267 270 1HE2 GLN 34 HE21 GLN 34 7.884 -14.017 5.830 271 2HE2 GLN 34 HE22 GLN 34 8.344 -15.032 7.158 272 H ASP 35 HN ASP 35 1.713 -12.275 6.213 273 HA ASP 35 HA ASP 35 -0.078 -13.773 7.759 274 1HB ASP 35 HB2 ASP 35 0.463 -11.461 8.281 275 2HB ASP 35 HB1 ASP 35 -0.324 -10.923 6.803 276 HA PRO 36 HA PRO 36 -2.959 -15.254 4.776 277 1HB PRO 36 HB2 PRO 36 -4.802 -15.496 7.071 278 2HB PRO 36 HB1 PRO 36 -4.183 -16.745 5.987 279 1HG PRO 36 HG2 PRO 36 -3.324 -16.566 8.501 280 2HG PRO 36 HG1 PRO 36 -2.218 -16.994 7.182 281 1HD PRO 36 HD2 PRO 36 -2.583 -14.361 8.568 282 2HD PRO 36 HD1 PRO 36 -1.084 -15.185 8.088 283 H SER 37 HN SER 37 -3.658 -12.498 6.809 284 HA SER 37 HA SER 37 -6.256 -12.058 5.559 285 1HB SER 37 HB2 SER 37 -5.942 -11.528 7.963 286 2HB SER 37 HB1 SER 37 -4.713 -10.340 7.524 287 HG SER 37 HG SER 37 -6.759 -9.687 6.083 288 H ASN 38 HN ASN 38 -2.967 -11.021 5.401 289 HA ASN 38 HA ASN 38 -3.481 -8.756 3.702 290 1HB ASN 38 HB2 ASN 38 -0.840 -10.154 4.147 291 2HB ASN 38 HB1 ASN 38 -1.101 -8.494 3.616 292 1HD2 ASN 38 HD21 ASN 38 0.468 -9.314 5.813 293 2HD2 ASN 38 HD22 ASN 38 -0.250 -8.662 7.257 294 H ALA 39 HN ALA 39 -2.982 -12.119 3.333 295 HA ALA 39 HA ALA 39 -2.175 -12.301 0.672 296 1HB ALA 39 HB1 ALA 39 -4.099 -14.114 2.124 297 2HB ALA 39 HB2 ALA 39 -2.340 -14.216 2.206 298 3HB ALA 39 HB3 ALA 39 -3.172 -14.515 0.678 299 H GLN 40 HN GLN 40 -5.256 -11.475 2.072 300 HA GLN 40 HA GLN 40 -6.960 -11.689 -0.118 301 1HB GLN 40 HB2 GLN 40 -7.778 -11.147 2.108 302 2HB GLN 40 HB1 GLN 40 -6.897 -9.629 2.101 303 1HG GLN 40 HG2 GLN 40 -8.902 -10.052 -0.044 304 2HG GLN 40 HG1 GLN 40 -9.498 -9.792 1.594 305 1HE2 GLN 40 HE21 GLN 40 -7.944 -8.361 -1.152 306 2HE2 GLN 40 HE22 GLN 40 -7.950 -6.732 -0.564 307 H PHE 41 HN PHE 41 -4.966 -8.936 0.905 308 HA PHE 41 HA PHE 41 -5.568 -7.235 -1.242 309 1HB PHE 41 HB2 PHE 41 -3.011 -7.428 0.358 310 2HB PHE 41 HB1 PHE 41 -3.458 -6.083 -0.681 311 HD1 PHE 41 HD1 PHE 41 -5.466 -4.708 -0.070 312 HD2 PHE 41 HD2 PHE 41 -3.702 -7.527 2.584 313 HE1 PHE 41 HE1 PHE 41 -6.531 -3.585 1.842 314 HE2 PHE 41 HE2 PHE 41 -4.773 -6.418 4.491 315 HZ PHE 41 HZ PHE 41 -6.186 -4.443 4.121 316 H LEU 42 HN LEU 42 -2.791 -9.354 -0.700 317 HA LEU 42 HA LEU 42 -1.347 -8.863 -2.964 318 1HB LEU 42 HB2 LEU 42 -1.692 -11.397 -1.392 319 2HB LEU 42 HB1 LEU 42 -0.560 -11.277 -2.726 320 HG LEU 42 HG LEU 42 -0.506 -9.548 -0.255 321 1HD1 LEU 42 HD11 LEU 42 1.226 -11.890 -1.033 322 2HD1 LEU 42 HD12 LEU 42 0.041 -11.861 0.273 323 3HD1 LEU 42 HD13 LEU 42 1.476 -10.839 0.361 324 1HD2 LEU 42 HD21 LEU 42 0.398 -8.456 -2.247 325 2HD2 LEU 42 HD22 LEU 42 1.463 -9.835 -2.521 326 3HD2 LEU 42 HD23 LEU 42 1.669 -8.833 -1.084 327 H GLU 43 HN GLU 43 -3.912 -11.340 -2.648 328 HA GLU 43 HA GLU 43 -3.528 -12.188 -5.341 329 1HB GLU 43 HB2 GLU 43 -4.396 -13.750 -3.698 330 2HB GLU 43 HB1 GLU 43 -5.823 -12.744 -3.466 331 1HG GLU 43 HG2 GLU 43 -6.703 -13.276 -5.538 332 2HG GLU 43 HG1 GLU 43 -5.144 -13.787 -6.181 333 H SER 44 HN SER 44 -5.996 -10.117 -3.774 334 HA SER 44 HA SER 44 -7.601 -9.823 -6.060 335 1HB SER 44 HB2 SER 44 -7.199 -7.871 -3.779 336 2HB SER 44 HB1 SER 44 -8.544 -7.863 -4.925 337 HG SER 44 HG SER 44 -9.122 -9.940 -4.159 338 H ILE 45 HN ILE 45 -4.730 -8.130 -4.974 339 HA ILE 45 HA ILE 45 -4.968 -6.022 -6.946 340 HB ILE 45 HB ILE 45 -2.665 -6.783 -5.128 341 1HG1 ILE 45 HG12 ILE 45 -4.701 -4.560 -4.874 342 2HG1 ILE 45 HG11 ILE 45 -4.749 -6.071 -3.972 343 1HG2 ILE 45 HG21 ILE 45 -1.857 -5.522 -7.039 344 2HG2 ILE 45 HG22 ILE 45 -1.810 -4.530 -5.581 345 3HG2 ILE 45 HG23 ILE 45 -3.091 -4.291 -6.767 346 1HD1 ILE 45 HD11 ILE 45 -3.839 -4.241 -2.643 347 2HD1 ILE 45 HD12 ILE 45 -2.550 -4.020 -3.827 348 3HD1 ILE 45 HD13 ILE 45 -2.646 -5.514 -2.896 349 H ARG 46 HN ARG 46 -3.434 -9.088 -6.579 350 HA ARG 46 HA ARG 46 -1.653 -8.984 -8.778 351 1HB ARG 46 HB2 ARG 46 -1.468 -10.561 -6.915 352 2HB ARG 46 HB1 ARG 46 -2.983 -11.308 -7.383 353 1HG ARG 46 HG2 ARG 46 -1.978 -12.096 -9.444 354 2HG ARG 46 HG1 ARG 46 -0.453 -11.311 -9.007 355 1HD ARG 46 HD2 ARG 46 -1.847 -13.397 -7.342 356 2HD ARG 46 HD1 ARG 46 -0.517 -13.737 -8.455 357 HE ARG 46 HE ARG 46 0.723 -12.017 -6.984 358 1HH1 ARG 46 HH11 ARG 46 -1.684 -14.298 -5.840 359 2HH1 ARG 46 HH12 ARG 46 -1.018 -14.378 -4.236 360 1HH2 ARG 46 HH21 ARG 46 1.587 -12.104 -4.857 361 2HH2 ARG 46 HH22 ARG 46 0.838 -13.144 -3.678 362 H ARG 47 HN ARG 47 -4.983 -10.169 -8.389 363 HA ARG 47 HA ARG 47 -5.246 -11.075 -11.078 364 1HB ARG 47 HB2 ARG 47 -7.500 -10.242 -9.244 365 2HB ARG 47 HB1 ARG 47 -7.591 -11.336 -10.615 366 1HG ARG 47 HG2 ARG 47 -6.174 -11.845 -8.009 367 2HG ARG 47 HG1 ARG 47 -7.693 -12.562 -8.542 368 1HD ARG 47 HD2 ARG 47 -6.529 -13.656 -10.390 369 2HD ARG 47 HD1 ARG 47 -5.012 -12.919 -9.869 370 HE ARG 47 HE ARG 47 -5.772 -14.221 -7.660 371 1HH1 ARG 47 HH11 ARG 47 -5.576 -15.259 -10.995 372 2HH1 ARG 47 HH12 ARG 47 -5.255 -16.914 -10.585 373 1HH2 ARG 47 HH21 ARG 47 -5.371 -16.401 -7.115 374 2HH2 ARG 47 HH22 ARG 47 -5.151 -17.571 -8.384 375 H GLY 48 HN GLY 48 -6.339 -8.161 -9.372 376 1HA GLY 48 HA2 GLY 48 -6.032 -6.082 -10.806 377 2HA GLY 48 HA1 GLY 48 -6.995 -6.962 -11.985 378 H GLU 49 HN GLU 49 -7.787 -7.452 -8.693 379 HA GLU 49 HA GLU 49 -10.281 -5.963 -9.082 380 1HB GLU 49 HB2 GLU 49 -9.577 -8.087 -7.052 381 2HB GLU 49 HB1 GLU 49 -11.151 -7.324 -7.240 382 1HG GLU 49 HG2 GLU 49 -11.346 -8.263 -9.481 383 2HG GLU 49 HG1 GLU 49 -9.767 -9.024 -9.302 384 H VAL 50 HN VAL 50 -11.185 -5.097 -6.903 385 HA VAL 50 HA VAL 50 -9.007 -3.492 -5.749 386 HB VAL 50 HB VAL 50 -11.964 -2.864 -5.784 387 1HG1 VAL 50 HG11 VAL 50 -11.271 -0.652 -5.019 388 2HG1 VAL 50 HG12 VAL 50 -9.589 -1.184 -4.985 389 3HG1 VAL 50 HG13 VAL 50 -10.762 -1.904 -3.883 390 1HG2 VAL 50 HG21 VAL 50 -9.724 -1.734 -7.464 391 2HG2 VAL 50 HG22 VAL 50 -11.394 -1.164 -7.450 392 3HG2 VAL 50 HG23 VAL 50 -11.019 -2.786 -8.033 393 HA PRO 51 HA PRO 51 -9.599 -5.805 -1.943 394 1HB PRO 51 HB2 PRO 51 -7.959 -3.582 -0.895 395 2HB PRO 51 HB1 PRO 51 -7.686 -5.317 -0.801 396 1HG PRO 51 HG2 PRO 51 -6.256 -3.735 -2.406 397 2HG PRO 51 HG1 PRO 51 -6.660 -5.406 -2.837 398 1HD PRO 51 HD2 PRO 51 -7.800 -2.849 -3.849 399 2HD PRO 51 HD1 PRO 51 -7.561 -4.393 -4.691 400 H ALA 52 HN ALA 52 -10.876 -5.572 -0.194 401 HA ALA 52 HA ALA 52 -12.903 -3.639 -0.291 402 1HB ALA 52 HB1 ALA 52 -13.744 -4.690 1.736 403 2HB ALA 52 HB2 ALA 52 -12.214 -5.546 1.933 404 3HB ALA 52 HB3 ALA 52 -13.249 -5.899 0.549 405 H GLU 53 HN GLU 53 -9.949 -3.799 1.594 406 HA GLU 53 HA GLU 53 -10.567 -2.055 3.655 407 1HB GLU 53 HB2 GLU 53 -7.991 -2.639 2.230 408 2HB GLU 53 HB1 GLU 53 -8.061 -1.499 3.567 409 1HG GLU 53 HG2 GLU 53 -8.997 -4.348 3.744 410 2HG GLU 53 HG1 GLU 53 -7.378 -3.808 4.192 411 H LEU 54 HN LEU 54 -9.583 -1.288 0.350 412 HA LEU 54 HA LEU 54 -9.482 1.540 0.993 413 1HB LEU 54 HB2 LEU 54 -9.230 1.455 -1.719 414 2HB LEU 54 HB1 LEU 54 -7.898 1.444 -0.590 415 HG LEU 54 HG LEU 54 -9.099 -1.111 -1.632 416 1HD1 LEU 54 HD11 LEU 54 -6.908 0.599 -2.796 417 2HD1 LEU 54 HD12 LEU 54 -8.440 0.174 -3.560 418 3HD1 LEU 54 HD13 LEU 54 -7.225 -1.071 -3.266 419 1HD2 LEU 54 HD21 LEU 54 -7.690 -1.358 0.318 420 2HD2 LEU 54 HD22 LEU 54 -6.442 -0.353 -0.416 421 3HD2 LEU 54 HD23 LEU 54 -6.812 -1.935 -1.100 422 H ARG 55 HN ARG 55 -11.302 -0.626 -1.128 423 HA ARG 55 HA ARG 55 -13.001 1.390 -2.156 424 1HB ARG 55 HB2 ARG 55 -12.441 -0.726 -3.299 425 2HB ARG 55 HB1 ARG 55 -13.377 -1.602 -2.102 426 1HG ARG 55 HG2 ARG 55 -14.598 0.520 -3.860 427 2HG ARG 55 HG1 ARG 55 -14.485 -1.187 -4.336 428 1HD ARG 55 HD2 ARG 55 -15.591 -1.736 -2.158 429 2HD ARG 55 HD1 ARG 55 -15.896 -0.014 -1.973 430 HE ARG 55 HE ARG 55 -16.893 -1.470 -4.334 431 1HH1 ARG 55 HH11 ARG 55 -17.523 0.502 -1.498 432 2HH1 ARG 55 HH12 ARG 55 -19.222 0.649 -1.834 433 1HH2 ARG 55 HH21 ARG 55 -19.110 -1.285 -4.752 434 2HH2 ARG 55 HH22 ARG 55 -20.122 -0.363 -3.683 435 H ARG 56 HN ARG 56 -13.407 -0.882 0.555 436 HA ARG 56 HA ARG 56 -16.089 0.079 1.047 437 1HB ARG 56 HB2 ARG 56 -14.356 -1.820 2.628 438 2HB ARG 56 HB1 ARG 56 -16.032 -1.446 3.000 439 1HG ARG 56 HG2 ARG 56 -15.106 -2.663 0.414 440 2HG ARG 56 HG1 ARG 56 -15.702 -3.589 1.795 441 1HD ARG 56 HD2 ARG 56 -17.843 -2.420 1.658 442 2HD ARG 56 HD1 ARG 56 -17.246 -1.474 0.295 443 HE ARG 56 HE ARG 56 -17.012 -4.249 -0.246 444 1HH1 ARG 56 HH11 ARG 56 -19.421 -1.720 0.024 445 2HH1 ARG 56 HH12 ARG 56 -20.512 -2.451 -1.114 446 1HH2 ARG 56 HH21 ARG 56 -18.435 -5.221 -1.734 447 2HH2 ARG 56 HH22 ARG 56 -19.920 -4.425 -2.159 448 H LEU 57 HN LEU 57 -13.687 1.872 1.261 449 HA LEU 57 HA LEU 57 -14.393 3.014 3.870 450 1HB LEU 57 HB2 LEU 57 -12.230 1.664 3.942 451 2HB LEU 57 HB1 LEU 57 -11.558 2.844 2.841 452 HG LEU 57 HG LEU 57 -10.937 3.117 5.268 453 1HD1 LEU 57 HD11 LEU 57 -10.662 4.953 3.708 454 2HD1 LEU 57 HD12 LEU 57 -11.186 5.552 5.283 455 3HD1 LEU 57 HD13 LEU 57 -12.341 5.438 3.955 456 1HD2 LEU 57 HD21 LEU 57 -13.813 3.979 5.510 457 2HD2 LEU 57 HD22 LEU 57 -12.573 4.174 6.747 458 3HD2 LEU 57 HD23 LEU 57 -13.080 2.559 6.257 459 H ALA 58 HN ALA 58 -12.748 3.342 0.800 460 HA ALA 58 HA ALA 58 -12.489 6.043 0.480 461 1HB ALA 58 HB1 ALA 58 -12.360 5.596 -1.844 462 2HB ALA 58 HB2 ALA 58 -13.349 4.143 -1.682 463 3HB ALA 58 HB3 ALA 58 -11.720 4.179 -1.010 464 H HIS 59 HN HIS 59 -13.720 7.725 -0.260 465 HA HIS 59 HA HIS 59 -16.538 7.243 -0.870 466 1HB HIS 59 HB2 HIS 59 -17.201 9.138 0.662 467 2HB HIS 59 HB1 HIS 59 -16.719 7.638 1.434 468 HD1 HIS 59 HD1 HIS 59 -16.056 11.219 1.439 469 HD2 HIS 59 HD2 HIS 59 -14.037 7.770 2.594 470 HE1 HIS 59 HE1 HIS 59 -14.227 11.985 2.987 471 HE2 HIS 59 HE2 HIS 59 -12.907 9.906 3.522 472 H GLY 60 HN GLY 60 -16.730 8.039 -2.824 473 1HA GLY 60 HA2 GLY 60 -16.988 10.541 -3.667 474 2HA GLY 60 HA1 GLY 60 -15.232 10.390 -3.670 475 H GLY 61 HN GLY 61 -14.957 7.768 -4.449 476 1HA GLY 61 HA2 GLY 61 -15.686 6.198 -6.107 477 2HA GLY 61 HA1 GLY 61 -16.405 7.523 -7.000 478 H GLN 62 HN GLN 62 -13.307 8.189 -5.810 479 HA GLN 62 HA GLN 62 -12.044 7.298 -8.301 480 1HB GLN 62 HB2 GLN 62 -11.994 9.703 -7.909 481 2HB GLN 62 HB1 GLN 62 -11.313 9.433 -6.315 482 1HG GLN 62 HG2 GLN 62 -9.310 8.436 -7.398 483 2HG GLN 62 HG1 GLN 62 -9.996 8.856 -8.967 484 1HE2 GLN 62 HE21 GLN 62 -10.310 10.849 -6.130 485 2HE2 GLN 62 HE22 GLN 62 -9.287 12.139 -6.686 486 H VAL 63 HN VAL 63 -11.984 5.137 -7.229 487 HA VAL 63 HA VAL 63 -10.208 4.932 -4.927 488 HB VAL 63 HB VAL 63 -12.256 3.653 -4.821 489 1HG1 VAL 63 HG11 VAL 63 -12.761 1.791 -6.314 490 2HG1 VAL 63 HG12 VAL 63 -11.359 2.204 -7.305 491 3HG1 VAL 63 HG13 VAL 63 -12.712 3.329 -7.178 492 1HG2 VAL 63 HG21 VAL 63 -10.360 2.682 -3.696 493 2HG2 VAL 63 HG22 VAL 63 -9.873 1.845 -5.172 494 3HG2 VAL 63 HG23 VAL 63 -11.380 1.403 -4.361 495 H ASN 64 HN ASN 64 -8.103 5.089 -5.482 496 HA ASN 64 HA ASN 64 -7.170 3.549 -7.816 497 1HB ASN 64 HB2 ASN 64 -7.258 6.058 -8.104 498 2HB ASN 64 HB1 ASN 64 -6.013 6.172 -6.867 499 1HD2 ASN 64 HD21 ASN 64 -3.922 5.550 -7.339 500 2HD2 ASN 64 HD22 ASN 64 -3.389 5.210 -8.954 501 H LEU 65 HN LEU 65 -5.152 2.574 -7.694 502 HA LEU 65 HA LEU 65 -3.801 2.641 -5.081 503 1HB LEU 65 HB2 LEU 65 -5.099 0.643 -5.054 504 2HB LEU 65 HB1 LEU 65 -4.592 0.220 -6.675 505 HG LEU 65 HG LEU 65 -2.223 0.126 -5.644 506 1HD1 LEU 65 HD11 LEU 65 -2.764 1.130 -3.539 507 2HD1 LEU 65 HD12 LEU 65 -2.279 -0.546 -3.276 508 3HD1 LEU 65 HD13 LEU 65 -3.985 -0.101 -3.228 509 1HD2 LEU 65 HD21 LEU 65 -3.415 -1.807 -6.518 510 2HD2 LEU 65 HD22 LEU 65 -4.332 -1.939 -5.016 511 3HD2 LEU 65 HD23 LEU 65 -2.589 -2.219 -5.015 512 H ASP 66 HN ASP 66 -1.773 3.222 -5.290 513 HA ASP 66 HA ASP 66 -0.346 2.764 -7.832 514 1HB ASP 66 HB2 ASP 66 -0.517 5.117 -6.878 515 2HB ASP 66 HB1 ASP 66 0.470 4.561 -5.538 516 H MET 67 HN MET 67 2.058 2.215 -7.527 517 HA MET 67 HA MET 67 2.501 0.684 -5.069 518 1HB MET 67 HB2 MET 67 2.690 -0.445 -7.855 519 2HB MET 67 HB1 MET 67 3.466 -1.199 -6.468 520 1HG MET 67 HG2 MET 67 1.313 -1.465 -5.378 521 2HG MET 67 HG1 MET 67 0.516 -0.661 -6.731 522 1HE MET 67 HE1 MET 67 2.519 -4.814 -6.935 523 2HE MET 67 HE2 MET 67 2.307 -3.889 -5.450 524 3HE MET 67 HE3 MET 67 3.437 -3.329 -6.684 525 H GLU 68 HN GLU 68 4.465 0.753 -4.278 526 HA GLU 68 HA GLU 68 6.669 1.893 -5.872 527 1HB GLU 68 HB2 GLU 68 5.803 2.585 -3.071 528 2HB GLU 68 HB1 GLU 68 7.405 2.962 -3.680 529 1HG GLU 68 HG2 GLU 68 6.425 4.360 -5.410 530 2HG GLU 68 HG1 GLU 68 4.809 3.966 -4.813 531 H ASP 69 HN ASP 69 8.826 1.480 -4.810 532 HA ASP 69 HA ASP 69 8.828 -1.099 -3.365 533 1HB ASP 69 HB2 ASP 69 9.579 -1.414 -5.685 534 2HB ASP 69 HB1 ASP 69 10.787 -0.154 -5.481 535 H HIS 70 HN HIS 70 9.596 -0.843 -1.375 536 HA HIS 70 HA HIS 70 12.018 0.726 -0.947 537 1HB HIS 70 HB2 HIS 70 9.553 1.054 0.787 538 2HB HIS 70 HB1 HIS 70 11.129 1.747 1.125 539 HD1 HIS 70 HD1 HIS 70 11.663 3.989 0.096 540 HD2 HIS 70 HD2 HIS 70 8.137 2.298 -1.354 541 HE1 HIS 70 HE1 HIS 70 10.517 5.806 -1.221 542 HE2 HIS 70 HE2 HIS 70 8.423 4.746 -2.164 543 H ARG 71 HN ARG 71 11.856 -1.945 -1.162 544 HA ARG 71 HA ARG 71 11.150 -3.506 1.009 545 1HB ARG 71 HB2 ARG 71 13.367 -3.859 -0.996 546 2HB ARG 71 HB1 ARG 71 12.958 -5.082 0.200 547 1HG ARG 71 HG2 ARG 71 10.892 -5.511 -0.764 548 2HG ARG 71 HG1 ARG 71 10.886 -3.987 -1.657 549 1HD ARG 71 HD2 ARG 71 12.807 -6.256 -2.150 550 2HD ARG 71 HD1 ARG 71 11.328 -5.984 -3.073 551 HE ARG 71 HE ARG 71 12.362 -3.716 -3.580 552 1HH1 ARG 71 HH11 ARG 71 14.274 -6.608 -3.027 553 2HH1 ARG 71 HH12 ARG 71 15.601 -6.068 -4.003 554 1HH2 ARG 71 HH21 ARG 71 14.095 -3.023 -4.881 555 2HH2 ARG 71 HH22 ARG 71 15.514 -4.023 -5.046 556 H ASP 72 HN ASP 72 14.390 -2.154 0.365 557 HA ASP 72 HA ASP 72 15.312 -3.172 2.914 558 1HB ASP 72 HB2 ASP 72 17.522 -2.117 2.121 559 2HB ASP 72 HB1 ASP 72 16.914 -3.522 1.257 560 H GLU 73 HN GLU 73 13.582 -0.581 2.163 561 HA GLU 73 HA GLU 73 14.923 1.221 4.018 562 1HB GLU 73 HB2 GLU 73 12.750 1.484 2.027 563 2HB GLU 73 HB1 GLU 73 12.603 2.480 3.463 564 1HG GLU 73 HG2 GLU 73 15.126 3.033 2.892 565 2HG GLU 73 HG1 GLU 73 14.611 2.555 1.275 566 H ASP 74 HN ASP 74 12.353 -1.032 3.822 567 HA ASP 74 HA ASP 74 10.863 -1.907 5.280 568 1HB ASP 74 HB2 ASP 74 13.004 -1.352 6.922 569 2HB ASP 74 HB1 ASP 74 11.677 -0.484 7.698 570 H PHE 75 HN PHE 75 9.202 -1.127 7.066 571 HA PHE 75 HA PHE 75 7.501 0.507 5.584 572 1HB PHE 75 HB2 PHE 75 6.675 -1.119 7.194 573 2HB PHE 75 HB1 PHE 75 7.344 -0.173 8.517 574 HD1 PHE 75 HD1 PHE 75 5.632 0.664 9.768 575 HD2 PHE 75 HD2 PHE 75 5.280 0.774 5.527 576 HE1 PHE 75 HE1 PHE 75 3.483 1.832 9.971 577 HE2 PHE 75 HE2 PHE 75 3.133 1.918 5.725 578 HZ PHE 75 HZ PHE 75 2.235 2.464 7.951 579 H VAL 76 HN VAL 76 7.060 2.608 5.481 580 HA VAL 76 HA VAL 76 7.651 4.436 7.569 581 HB VAL 76 HB VAL 76 9.911 4.133 6.787 582 1HG1 VAL 76 HG11 VAL 76 8.948 4.982 4.066 583 2HG1 VAL 76 HG12 VAL 76 9.524 3.379 4.528 584 3HG1 VAL 76 HG13 VAL 76 10.632 4.751 4.538 585 1HG2 VAL 76 HG21 VAL 76 10.504 6.449 6.269 586 2HG2 VAL 76 HG22 VAL 76 9.310 6.341 7.563 587 3HG2 VAL 76 HG23 VAL 76 8.808 6.800 5.935 588 H LYS 77 HN LYS 77 5.315 4.670 7.054 589 HA LYS 77 HA LYS 77 5.187 7.049 5.481 590 1HB LYS 77 HB2 LYS 77 2.762 5.970 4.764 591 2HB LYS 77 HB1 LYS 77 4.126 6.299 3.720 592 1HG LYS 77 HG2 LYS 77 4.862 4.041 3.886 593 2HG LYS 77 HG1 LYS 77 3.706 3.708 5.180 594 1HD LYS 77 HD2 LYS 77 3.127 4.280 2.280 595 2HD LYS 77 HD1 LYS 77 2.745 2.819 3.198 596 1HE LYS 77 HE2 LYS 77 1.116 3.998 4.509 597 2HE LYS 77 HE1 LYS 77 1.600 5.539 3.806 598 1HZ LYS 77 HZ1 LYS 77 0.931 4.163 1.623 599 2HZ LYS 77 HZ2 LYS 77 -0.133 5.167 2.477 600 3HZ LYS 77 HZ3 LYS 77 -0.143 3.491 2.752 601 HA PRO 78 HA PRO 78 1.154 7.445 8.121 602 1HB PRO 78 HB2 PRO 78 1.189 4.802 9.487 603 2HB PRO 78 HB1 PRO 78 -0.198 5.756 8.929 604 1HG PRO 78 HG2 PRO 78 0.566 3.614 7.579 605 2HG PRO 78 HG1 PRO 78 0.097 5.087 6.700 606 1HD PRO 78 HD2 PRO 78 2.838 4.024 7.296 607 2HD PRO 78 HD1 PRO 78 2.236 4.770 5.814 608 H LYS 79 HN LYS 79 3.645 5.348 9.422 609 HA LYS 79 HA LYS 79 3.864 5.743 12.025 610 1HB LYS 79 HB2 LYS 79 6.232 6.209 10.211 611 2HB LYS 79 HB1 LYS 79 6.273 5.633 11.870 612 1HG LYS 79 HG2 LYS 79 5.125 3.578 11.168 613 2HG LYS 79 HG1 LYS 79 5.134 4.156 9.498 614 1HD LYS 79 HD2 LYS 79 6.969 2.605 9.864 615 2HD LYS 79 HD1 LYS 79 7.588 4.225 9.546 616 1HE LYS 79 HE2 LYS 79 8.867 3.319 11.337 617 2HE LYS 79 HE1 LYS 79 7.793 4.536 12.022 618 1HZ LYS 79 HZ1 LYS 79 7.349 1.596 12.088 619 2HZ LYS 79 HZ2 LYS 79 6.304 2.763 12.740 620 3HZ LYS 79 HZ3 LYS 79 7.855 2.555 13.394 621 H GLY 80 HN GLY 80 5.311 8.107 9.780 622 1HA GLY 80 HA2 GLY 80 4.298 10.365 11.106 623 2HA GLY 80 HA1 GLY 80 5.931 10.054 11.688 624 H ALA 81 HN ALA 81 4.606 9.468 8.495 625 HA ALA 81 HA ALA 81 5.222 10.093 6.420 626 1HB ALA 81 HB1 ALA 81 6.368 12.558 7.734 627 2HB ALA 81 HB2 ALA 81 4.711 12.377 7.156 628 3HB ALA 81 HB3 ALA 81 6.052 12.342 6.012 629 H PHE 82 HN PHE 82 7.944 11.514 8.185 630 HA PHE 82 HA PHE 82 10.177 11.280 7.997 631 1HB PHE 82 HB2 PHE 82 9.643 8.369 7.391 632 2HB PHE 82 HB1 PHE 82 11.117 9.065 8.051 633 HD1 PHE 82 HD1 PHE 82 8.884 6.911 8.988 634 HD2 PHE 82 HD2 PHE 82 10.060 10.826 10.155 635 HE1 PHE 82 HE1 PHE 82 8.044 6.482 11.257 636 HE2 PHE 82 HE2 PHE 82 9.221 10.405 12.427 637 HZ PHE 82 HZ PHE 82 8.216 8.231 12.981 638 H LYS 83 HN LYS 83 9.876 8.622 5.787 639 HA LYS 83 HA LYS 83 10.785 10.298 3.577 640 1HB LYS 83 HB2 LYS 83 10.544 7.298 3.858 641 2HB LYS 83 HB1 LYS 83 11.118 8.118 2.415 642 1HG LYS 83 HG2 LYS 83 12.406 8.270 5.121 643 2HG LYS 83 HG1 LYS 83 12.938 7.233 3.793 644 1HD LYS 83 HD2 LYS 83 12.960 9.514 2.473 645 2HD LYS 83 HD1 LYS 83 13.126 10.193 4.094 646 1HE LYS 83 HE2 LYS 83 15.319 9.861 3.184 647 2HE LYS 83 HE1 LYS 83 15.061 8.673 4.463 648 1HZ LYS 83 HZ1 LYS 83 14.620 6.994 2.819 649 2HZ LYS 83 HZ2 LYS 83 16.101 7.737 2.450 650 3HZ LYS 83 HZ3 LYS 83 14.709 8.128 1.562 651 H ALA 84 HN ALA 84 8.580 7.519 3.814 652 HA ALA 84 HA ALA 84 6.784 6.891 2.596 653 1HB ALA 84 HB1 ALA 84 6.214 9.853 2.451 654 2HB ALA 84 HB2 ALA 84 5.670 8.755 3.718 655 3HB ALA 84 HB3 ALA 84 5.075 8.561 2.069 656 H PHE 85 HN PHE 85 7.201 9.934 0.888 657 HA PHE 85 HA PHE 85 9.063 8.959 -0.985 658 1HB PHE 85 HB2 PHE 85 7.751 8.989 -3.024 659 2HB PHE 85 HB1 PHE 85 7.073 7.810 -1.914 660 HD1 PHE 85 HD1 PHE 85 6.444 10.640 -3.968 661 HD2 PHE 85 HD2 PHE 85 4.996 8.491 -0.593 662 HE1 PHE 85 HE1 PHE 85 4.229 11.662 -4.276 663 HE2 PHE 85 HE2 PHE 85 2.776 9.509 -0.893 664 HZ PHE 85 HZ PHE 85 2.390 11.097 -2.737 665 H THR 86 HN THR 86 10.257 10.652 -1.381 666 HA THR 86 HA THR 86 9.084 13.295 -0.842 667 HB THR 86 HB THR 86 11.436 14.032 -0.483 668 HG1 THR 86 HG1 THR 86 11.971 11.237 -0.827 669 1HG2 THR 86 HG21 THR 86 11.732 12.905 1.674 670 2HG2 THR 86 HG22 THR 86 10.556 11.682 1.194 671 3HG2 THR 86 HG23 THR 86 10.048 13.357 1.410 672 H GLY 87 HN GLY 87 10.331 11.350 -3.319 673 1HA GLY 87 HA2 GLY 87 9.868 12.465 -5.575 674 2HA GLY 87 HA1 GLY 87 10.978 13.698 -4.987 675 H GLU 88 HN GLU 88 11.452 10.389 -4.156 676 HA GLU 88 HA GLU 88 13.906 10.340 -5.726 677 1HB GLU 88 HB2 GLU 88 14.437 8.299 -4.394 678 2HB GLU 88 HB1 GLU 88 14.203 9.736 -3.416 679 1HG GLU 88 HG2 GLU 88 12.073 7.657 -3.842 680 2HG GLU 88 HG1 GLU 88 13.220 7.618 -2.507 681 H GLY 89 HN GLY 89 14.039 9.324 -7.574 682 1HA GLY 89 HA2 GLY 89 11.847 8.191 -8.876 683 2HA GLY 89 HA1 GLY 89 13.521 8.010 -9.377 684 H GLN 90 HN GLN 90 10.818 6.382 -8.482 685 HA GLN 90 HA GLN 90 11.907 4.267 -6.920 686 1HB GLN 90 HB2 GLN 90 9.432 4.347 -8.659 687 2HB GLN 90 HB1 GLN 90 9.827 3.054 -7.537 688 1HG GLN 90 HG2 GLN 90 9.281 5.924 -6.816 689 2HG GLN 90 HG1 GLN 90 8.192 4.558 -6.579 690 1HE2 GLN 90 HE21 GLN 90 11.016 6.207 -5.440 691 2HE2 GLN 90 HE22 GLN 90 11.194 5.310 -3.974 692 H LYS 91 HN LYS 91 13.247 2.746 -7.545 693 HA LYS 91 HA LYS 91 14.374 1.217 -8.771 694 1HB LYS 91 HB2 LYS 91 12.093 0.445 -9.406 695 2HB LYS 91 HB1 LYS 91 12.140 1.519 -10.793 696 1HG LYS 91 HG2 LYS 91 12.610 -0.838 -11.345 697 2HG LYS 91 HG1 LYS 91 13.918 0.260 -11.785 698 1HD LYS 91 HD2 LYS 91 15.112 -0.376 -9.730 699 2HD LYS 91 HD1 LYS 91 13.813 -1.508 -9.343 700 1HE LYS 91 HE2 LYS 91 15.715 -2.644 -10.383 701 2HE LYS 91 HE1 LYS 91 14.268 -2.751 -11.383 702 1HZ LYS 91 HZ1 LYS 91 15.115 -1.061 -12.826 703 2HZ LYS 91 HZ2 LYS 91 16.328 -2.230 -12.632 704 3HZ LYS 91 HZ3 LYS 91 16.433 -0.758 -11.806 705 H LEU 92 HN LEU 92 14.569 4.216 -9.160 706 HA LEU 92 HA LEU 92 15.726 4.403 -11.821 707 1HB LEU 92 HB2 LEU 92 14.465 6.306 -10.855 708 2HB LEU 92 HB1 LEU 92 15.660 6.435 -9.580 709 HG LEU 92 HG LEU 92 17.380 6.898 -11.358 710 1HD1 LEU 92 HD11 LEU 92 16.198 5.928 -13.245 711 2HD1 LEU 92 HD12 LEU 92 16.570 7.626 -13.547 712 3HD1 LEU 92 HD13 LEU 92 14.932 7.145 -13.099 713 1HD2 LEU 92 HD21 LEU 92 16.402 8.672 -10.002 714 2HD2 LEU 92 HD22 LEU 92 15.060 8.816 -11.137 715 3HD2 LEU 92 HD23 LEU 92 16.697 9.230 -11.649 716 H GLY 93 HN GLY 93 17.143 2.526 -11.013 717 1HA GLY 93 HA2 GLY 93 19.435 2.041 -10.853 718 2HA GLY 93 HA1 GLY 93 19.710 3.662 -10.226 719 H SER 94 HN SER 94 20.109 0.641 -9.375 720 HA SER 94 HA SER 94 18.870 0.457 -6.835 721 1HB SER 94 HB2 SER 94 21.312 -0.931 -7.962 722 2HB SER 94 HB1 SER 94 20.529 -1.367 -6.442 723 HG SER 94 HG SER 94 18.665 -1.889 -7.578 724 H THR 95 HN THR 95 19.231 1.721 -5.179 725 HA THR 95 HA THR 95 21.643 3.257 -4.889 726 HB THR 95 HB THR 95 20.505 3.981 -2.723 727 HG1 THR 95 HG1 THR 95 19.155 2.137 -2.494 728 1HG2 THR 95 HG21 THR 95 20.353 5.295 -4.781 729 2HG2 THR 95 HG22 THR 95 18.837 5.352 -3.883 730 3HG2 THR 95 HG23 THR 95 18.980 4.323 -5.308 731 H ALA 96 HN ALA 96 23.043 1.310 -4.776 732 HA ALA 96 HA ALA 96 23.084 0.193 -2.050 733 1HB ALA 96 HB1 ALA 96 23.973 -1.882 -2.956 734 2HB ALA 96 HB2 ALA 96 23.922 -1.211 -4.587 735 3HB ALA 96 HB3 ALA 96 22.424 -1.491 -3.701 736 HA PRO 97 HA PRO 97 27.195 2.186 -2.440 737 1HB PRO 97 HB2 PRO 97 27.322 2.973 0.144 738 2HB PRO 97 HB1 PRO 97 26.508 3.934 -1.099 739 1HG PRO 97 HG2 PRO 97 25.337 2.086 0.940 740 2HG PRO 97 HG1 PRO 97 24.758 3.675 0.406 741 1HD PRO 97 HD2 PRO 97 23.712 1.318 -0.476 742 2HD PRO 97 HD1 PRO 97 23.715 2.804 -1.446 743 H GLN 98 HN GLN 98 28.013 0.080 -2.739 744 HA GLN 98 HA GLN 98 29.432 -1.603 -2.233 745 1HB GLN 98 HB2 GLN 98 29.464 -0.501 0.583 746 2HB GLN 98 HB1 GLN 98 30.599 -1.664 -0.091 747 1HG GLN 98 HG2 GLN 98 31.348 0.025 -1.704 748 2HG GLN 98 HG1 GLN 98 30.235 1.187 -0.985 749 1HE2 GLN 98 HE21 GLN 98 33.106 1.330 -1.241 750 2HE2 GLN 98 HE22 GLN 98 33.739 1.495 0.364 751 H VAL 99 HN VAL 99 27.851 -1.443 0.944 752 HA VAL 99 HA VAL 99 26.449 -3.952 0.321 753 HB VAL 99 HB VAL 99 27.046 -4.849 2.566 754 1HG1 VAL 99 HG11 VAL 99 29.368 -4.299 0.719 755 2HG1 VAL 99 HG12 VAL 99 28.234 -5.648 0.615 756 3HG1 VAL 99 HG13 VAL 99 29.339 -5.527 1.985 757 1HG2 VAL 99 HG21 VAL 99 29.001 -2.549 2.608 758 2HG2 VAL 99 HG22 VAL 99 28.976 -3.893 3.749 759 3HG2 VAL 99 HG23 VAL 99 27.618 -2.770 3.681 760 H LEU 100 HN LEU 100 25.781 -1.021 0.818 761 HA LEU 100 HA LEU 100 23.805 -1.464 2.966 762 1HB LEU 100 HB2 LEU 100 25.769 0.174 3.378 763 2HB LEU 100 HB1 LEU 100 24.907 1.237 2.280 764 HG LEU 100 HG LEU 100 22.905 0.995 3.788 765 1HD1 LEU 100 HD11 LEU 100 23.276 0.255 6.063 766 2HD1 LEU 100 HD12 LEU 100 24.946 -0.158 5.673 767 3HD1 LEU 100 HD13 LEU 100 23.620 -1.043 4.920 768 1HD2 LEU 100 HD21 LEU 100 25.389 2.241 4.963 769 2HD2 LEU 100 HD22 LEU 100 23.727 2.635 5.403 770 3HD2 LEU 100 HD23 LEU 100 24.317 2.991 3.780 771 H SER 101 HN SER 101 22.113 0.521 2.716 772 HA SER 101 HA SER 101 21.365 0.735 -0.117 773 1HB SER 101 HB2 SER 101 19.519 0.140 2.206 774 2HB SER 101 HB1 SER 101 18.988 0.492 0.561 775 HG SER 101 HG SER 101 19.233 -1.548 0.204 776 H THR 102 HN THR 102 21.771 2.815 -0.517 777 HA THR 102 HA THR 102 20.098 4.852 0.264 778 HB THR 102 HB THR 102 21.139 4.660 2.520 779 HG1 THR 102 HG1 THR 102 21.533 7.005 0.976 780 1HG2 THR 102 HG21 THR 102 23.466 5.374 2.845 781 2HG2 THR 102 HG22 THR 102 23.676 5.460 1.095 782 3HG2 THR 102 HG23 THR 102 23.363 3.908 1.871 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -18.303 11.261 -5.685 2 2H GLY 1 HT2 GLY 1 -17.734 12.049 -4.294 3 3H GLY 1 HT3 GLY 1 -19.017 12.713 -5.183 4 1HA GLY 1 HA1 GLY 1 -20.451 10.901 -4.598 5 2HA GLY 1 HA2 GLY 1 -19.119 10.115 -3.759 6 H SER 2 HN SER 2 -20.157 10.103 -1.774 7 HA SER 2 HA SER 2 -20.550 10.866 0.321 8 1HB SER 2 HB2 SER 2 -18.383 12.124 -0.100 9 2HB SER 2 HB1 SER 2 -19.369 13.520 -0.531 10 HG SER 2 HG SER 2 -19.942 13.784 1.512 11 H GLU 3 HN GLU 3 -22.521 11.021 -1.690 12 HA GLU 3 HA GLU 3 -24.006 13.468 -1.275 13 1HB GLU 3 HB2 GLU 3 -25.776 12.027 -2.584 14 2HB GLU 3 HB1 GLU 3 -24.397 12.724 -3.416 15 1HG GLU 3 HG2 GLU 3 -24.878 10.398 -4.074 16 2HG GLU 3 HG1 GLU 3 -23.257 10.620 -3.424 17 H LYS 4 HN LYS 4 -26.633 12.438 -1.146 18 HA LYS 4 HA LYS 4 -26.679 10.958 1.379 19 1HB LYS 4 HB2 LYS 4 -28.286 12.536 2.363 20 2HB LYS 4 HB1 LYS 4 -26.745 13.308 2.026 21 1HG LYS 4 HG2 LYS 4 -27.669 14.347 0.040 22 2HG LYS 4 HG1 LYS 4 -29.205 13.517 0.300 23 1HD LYS 4 HD2 LYS 4 -29.373 14.665 2.502 24 2HD LYS 4 HD1 LYS 4 -27.927 15.583 2.085 25 1HE LYS 4 HE2 LYS 4 -29.093 16.485 0.117 26 2HE LYS 4 HE1 LYS 4 -30.540 15.590 0.577 27 1HZ LYS 4 HZ1 LYS 4 -29.245 17.806 2.073 28 2HZ LYS 4 HZ2 LYS 4 -30.484 16.847 2.714 29 3HZ LYS 4 HZ3 LYS 4 -30.780 17.808 1.348 30 H ARG 5 HN ARG 5 -27.235 9.880 -1.034 31 HA ARG 5 HA ARG 5 -30.151 9.526 -0.891 32 1HB ARG 5 HB2 ARG 5 -29.312 10.949 -2.868 33 2HB ARG 5 HB1 ARG 5 -28.638 9.452 -3.493 34 1HG ARG 5 HG2 ARG 5 -30.648 9.508 -4.576 35 2HG ARG 5 HG1 ARG 5 -31.070 8.559 -3.151 36 1HD ARG 5 HD2 ARG 5 -31.496 11.529 -3.457 37 2HD ARG 5 HD1 ARG 5 -32.738 10.300 -3.672 38 HE ARG 5 HE ARG 5 -32.116 9.737 -1.222 39 1HH1 ARG 5 HH11 ARG 5 -32.257 12.943 -2.653 40 2HH1 ARG 5 HH12 ARG 5 -32.614 13.737 -1.144 41 1HH2 ARG 5 HH21 ARG 5 -32.592 10.779 0.756 42 2HH2 ARG 5 HH22 ARG 5 -32.831 12.502 0.782 43 H GLN 6 HN GLN 6 -27.408 8.178 -2.696 44 HA GLN 6 HA GLN 6 -27.860 5.544 -1.530 45 1HB GLN 6 HB2 GLN 6 -27.979 6.112 -4.500 46 2HB GLN 6 HB1 GLN 6 -27.781 4.503 -3.822 47 1HG GLN 6 HG2 GLN 6 -29.944 4.753 -2.671 48 2HG GLN 6 HG1 GLN 6 -30.142 6.329 -3.434 49 1HE2 GLN 6 HE21 GLN 6 -28.948 5.464 -5.956 50 2HE2 GLN 6 HE22 GLN 6 -30.133 4.463 -6.720 51 H HIS 7 HN HIS 7 -25.903 5.033 -0.784 52 HA HIS 7 HA HIS 7 -23.575 6.354 -1.903 53 1HB HIS 7 HB2 HIS 7 -23.679 4.425 0.422 54 2HB HIS 7 HB1 HIS 7 -22.383 5.547 0.034 55 HD1 HIS 7 HD1 HIS 7 -23.922 8.158 -0.317 56 HD2 HIS 7 HD2 HIS 7 -24.727 5.412 2.710 57 HE1 HIS 7 HE1 HIS 7 -25.073 9.460 1.503 58 HE2 HIS 7 HE2 HIS 7 -25.696 7.753 3.246 59 H SER 8 HN SER 8 -24.849 4.334 -3.535 60 HA SER 8 HA SER 8 -23.148 1.981 -3.371 61 1HB SER 8 HB2 SER 8 -25.325 2.669 -5.361 62 2HB SER 8 HB1 SER 8 -24.555 1.095 -5.162 63 HG SER 8 HG SER 8 -25.471 1.898 -2.788 64 H SER 9 HN SER 9 -21.748 4.378 -3.947 65 HA SER 9 HA SER 9 -20.551 3.629 -6.470 66 1HB SER 9 HB2 SER 9 -21.696 6.410 -6.093 67 2HB SER 9 HB1 SER 9 -20.721 5.876 -7.462 68 HG SER 9 HG SER 9 -22.718 4.154 -7.170 69 H GLN 10 HN GLN 10 -19.571 3.489 -3.846 70 HA GLN 10 HA GLN 10 -17.768 5.698 -3.438 71 1HB GLN 10 HB2 GLN 10 -17.920 2.956 -2.192 72 2HB GLN 10 HB1 GLN 10 -16.687 4.137 -1.768 73 1HG GLN 10 HG2 GLN 10 -18.414 5.693 -1.049 74 2HG GLN 10 HG1 GLN 10 -19.653 4.518 -1.485 75 1HE2 GLN 10 HE21 GLN 10 -17.138 5.335 0.763 76 2HE2 GLN 10 HE22 GLN 10 -17.563 4.173 1.971 77 H ASP 11 HN ASP 11 -17.557 2.410 -4.684 78 HA ASP 11 HA ASP 11 -16.078 1.340 -6.029 79 1HB ASP 11 HB2 ASP 11 -15.922 4.175 -7.019 80 2HB ASP 11 HB1 ASP 11 -15.070 2.862 -7.819 81 H VAL 12 HN VAL 12 -14.497 0.628 -4.537 82 HA VAL 12 HA VAL 12 -12.570 2.415 -3.480 83 HB VAL 12 HB VAL 12 -11.255 0.160 -3.106 84 1HG1 VAL 12 HG11 VAL 12 -13.266 1.643 -1.592 85 2HG1 VAL 12 HG12 VAL 12 -11.612 1.210 -1.174 86 3HG1 VAL 12 HG13 VAL 12 -12.906 0.026 -0.990 87 1HG2 VAL 12 HG21 VAL 12 -12.717 -1.690 -2.649 88 2HG2 VAL 12 HG22 VAL 12 -12.906 -1.196 -4.331 89 3HG2 VAL 12 HG23 VAL 12 -14.118 -0.745 -3.137 90 H HIS 13 HN HIS 13 -11.226 3.434 -4.791 91 HA HIS 13 HA HIS 13 -9.423 1.776 -6.406 92 1HB HIS 13 HB2 HIS 13 -9.463 4.794 -6.030 93 2HB HIS 13 HB1 HIS 13 -8.430 3.907 -7.144 94 HD1 HIS 13 HD1 HIS 13 -11.369 5.862 -7.149 95 HD2 HIS 13 HD2 HIS 13 -10.230 2.347 -9.064 96 HE1 HIS 13 HE1 HIS 13 -12.936 5.614 -9.104 97 HE2 HIS 13 HE2 HIS 13 -12.186 3.518 -10.295 98 H VAL 14 HN VAL 14 -7.996 0.791 -5.116 99 HA VAL 14 HA VAL 14 -7.399 2.081 -2.549 100 HB VAL 14 HB VAL 14 -7.094 -0.833 -3.275 101 1HG1 VAL 14 HG11 VAL 14 -5.668 -0.084 -1.434 102 2HG1 VAL 14 HG12 VAL 14 -6.933 -1.174 -0.869 103 3HG1 VAL 14 HG13 VAL 14 -7.084 0.561 -0.601 104 1HG2 VAL 14 HG21 VAL 14 -9.438 -0.207 -3.393 105 2HG2 VAL 14 HG22 VAL 14 -9.336 0.547 -1.802 106 3HG2 VAL 14 HG23 VAL 14 -9.140 -1.199 -1.965 107 H VAL 15 HN VAL 15 -5.576 3.152 -2.638 108 HA VAL 15 HA VAL 15 -3.356 2.220 -4.196 109 HB VAL 15 HB VAL 15 -3.679 4.605 -4.027 110 1HG1 VAL 15 HG11 VAL 15 -4.787 4.707 -1.865 111 2HG1 VAL 15 HG12 VAL 15 -3.427 5.828 -1.932 112 3HG1 VAL 15 HG13 VAL 15 -3.271 4.303 -1.059 113 1HG2 VAL 15 HG21 VAL 15 -1.218 3.730 -2.524 114 2HG2 VAL 15 HG22 VAL 15 -1.443 5.305 -3.286 115 3HG2 VAL 15 HG23 VAL 15 -1.392 3.846 -4.275 116 H LEU 16 HN LEU 16 -2.218 0.609 -3.603 117 HA LEU 16 HA LEU 16 -1.687 0.129 -0.757 118 1HB LEU 16 HB2 LEU 16 -2.557 -1.629 -2.542 119 2HB LEU 16 HB1 LEU 16 -0.858 -1.732 -2.949 120 HG LEU 16 HG LEU 16 -2.177 -2.415 -0.335 121 1HD1 LEU 16 HD11 LEU 16 -0.644 -3.977 -2.385 122 2HD1 LEU 16 HD12 LEU 16 -2.327 -4.181 -1.895 123 3HD1 LEU 16 HD13 LEU 16 -1.023 -4.584 -0.775 124 1HD2 LEU 16 HD21 LEU 16 0.771 -2.278 -0.956 125 2HD2 LEU 16 HD22 LEU 16 0.065 -2.984 0.498 126 3HD2 LEU 16 HD23 LEU 16 -0.106 -1.257 0.184 127 H LYS 17 HN LYS 17 0.148 0.968 -0.063 128 HA LYS 17 HA LYS 17 2.317 1.282 -1.997 129 1HB LYS 17 HB2 LYS 17 1.889 2.726 0.633 130 2HB LYS 17 HB1 LYS 17 3.264 2.949 -0.441 131 1HG LYS 17 HG2 LYS 17 1.780 3.725 -2.207 132 2HG LYS 17 HG1 LYS 17 0.389 3.485 -1.151 133 1HD LYS 17 HD2 LYS 17 1.134 5.186 0.341 134 2HD LYS 17 HD1 LYS 17 2.687 5.304 -0.486 135 1HE LYS 17 HE2 LYS 17 1.495 6.057 -2.523 136 2HE LYS 17 HE1 LYS 17 -0.016 6.016 -1.622 137 1HZ LYS 17 HZ1 LYS 17 2.314 7.701 -0.879 138 2HZ LYS 17 HZ2 LYS 17 0.759 7.754 -0.201 139 3HZ LYS 17 HZ3 LYS 17 1.002 8.244 -1.800 140 H LEU 18 HN LEU 18 4.248 0.476 -1.662 141 HA LEU 18 HA LEU 18 4.371 -1.813 0.175 142 1HB LEU 18 HB2 LEU 18 4.585 -2.389 -2.126 143 2HB LEU 18 HB1 LEU 18 5.660 -1.050 -2.445 144 HG LEU 18 HG LEU 18 7.313 -2.314 -0.895 145 1HD1 LEU 18 HD11 LEU 18 5.721 -3.984 -0.092 146 2HD1 LEU 18 HD12 LEU 18 7.080 -4.719 -0.948 147 3HD1 LEU 18 HD13 LEU 18 5.510 -4.570 -1.744 148 1HD2 LEU 18 HD21 LEU 18 6.612 -3.309 -3.654 149 2HD2 LEU 18 HD22 LEU 18 8.146 -3.571 -2.825 150 3HD2 LEU 18 HD23 LEU 18 7.654 -1.937 -3.272 151 H TRP 19 HN TRP 19 5.366 -1.233 2.039 152 HA TRP 19 HA TRP 19 7.436 0.827 1.986 153 1HB TRP 19 HB2 TRP 19 6.254 -0.508 4.432 154 2HB TRP 19 HB1 TRP 19 7.148 1.005 4.358 155 HD1 TRP 19 HD1 TRP 19 3.796 -0.159 4.790 156 HE1 TRP 19 HE1 TRP 19 2.070 1.632 4.218 157 HE3 TRP 19 HE3 TRP 19 6.777 3.049 2.162 158 HZ2 TRP 19 HZ2 TRP 19 1.950 4.072 2.822 159 HZ3 TRP 19 HZ3 TRP 19 5.760 5.079 1.220 160 HH2 TRP 19 HH2 TRP 19 3.405 5.580 1.541 161 H LYS 20 HN LYS 20 8.951 0.140 4.200 162 HA LYS 20 HA LYS 20 10.549 -1.963 3.047 163 1HB LYS 20 HB2 LYS 20 12.143 -1.371 4.932 164 2HB LYS 20 HB1 LYS 20 11.810 -0.108 3.761 165 1HG LYS 20 HG2 LYS 20 11.627 1.113 5.662 166 2HG LYS 20 HG1 LYS 20 9.960 0.551 5.547 167 1HD LYS 20 HD2 LYS 20 10.704 0.243 7.805 168 2HD LYS 20 HD1 LYS 20 10.569 -1.345 7.049 169 1HE LYS 20 HE2 LYS 20 12.612 -1.188 8.366 170 2HE LYS 20 HE1 LYS 20 12.987 -1.359 6.652 171 1HZ LYS 20 HZ1 LYS 20 14.357 0.329 7.787 172 2HZ LYS 20 HZ2 LYS 20 12.957 1.231 8.114 173 3HZ LYS 20 HZ3 LYS 20 13.450 0.979 6.513 174 H SER 21 HN SER 21 8.545 -1.542 5.877 175 HA SER 21 HA SER 21 9.373 -4.131 6.921 176 1HB SER 21 HB2 SER 21 7.677 -3.369 8.774 177 2HB SER 21 HB1 SER 21 9.268 -2.609 8.669 178 HG SER 21 HG SER 21 7.926 -0.908 8.735 179 H GLY 22 HN GLY 22 6.660 -2.584 5.366 180 1HA GLY 22 HA2 GLY 22 5.416 -5.102 4.828 181 2HA GLY 22 HA1 GLY 22 4.544 -4.180 6.043 182 H PHE 23 HN PHE 23 2.733 -3.758 4.867 183 HA PHE 23 HA PHE 23 3.050 -1.929 2.609 184 1HB PHE 23 HB2 PHE 23 1.452 -3.197 1.235 185 2HB PHE 23 HB1 PHE 23 2.854 -4.179 1.631 186 HD1 PHE 23 HD1 PHE 23 -0.727 -3.662 2.219 187 HD2 PHE 23 HD2 PHE 23 2.664 -6.094 3.071 188 HE1 PHE 23 HE1 PHE 23 -2.200 -5.393 3.155 189 HE2 PHE 23 HE2 PHE 23 1.196 -7.823 3.998 190 HZ PHE 23 HZ PHE 23 -1.238 -7.477 4.044 191 H SER 24 HN SER 24 1.141 -0.705 2.127 192 HA SER 24 HA SER 24 -0.882 -0.679 4.270 193 1HB SER 24 HB2 SER 24 0.822 1.077 4.721 194 2HB SER 24 HB1 SER 24 0.508 1.756 3.126 195 HG SER 24 HG SER 24 -1.738 1.434 4.705 196 H LEU 25 HN LEU 25 -2.891 -0.304 3.596 197 HA LEU 25 HA LEU 25 -3.275 0.158 0.719 198 1HB LEU 25 HB2 LEU 25 -5.367 -0.808 2.667 199 2HB LEU 25 HB1 LEU 25 -5.410 -0.895 0.919 200 HG LEU 25 HG LEU 25 -3.352 -2.477 1.253 201 1HD1 LEU 25 HD11 LEU 25 -4.702 -2.656 3.923 202 2HD1 LEU 25 HD12 LEU 25 -3.030 -2.193 3.598 203 3HD1 LEU 25 HD13 LEU 25 -3.564 -3.848 3.293 204 1HD2 LEU 25 HD21 LEU 25 -6.149 -3.398 1.846 205 2HD2 LEU 25 HD22 LEU 25 -4.820 -4.407 1.285 206 3HD2 LEU 25 HD23 LEU 25 -5.465 -3.138 0.244 207 H ASP 26 HN ASP 26 -5.425 1.478 0.333 208 HA ASP 26 HA ASP 26 -5.230 3.933 1.718 209 1HB ASP 26 HB2 ASP 26 -6.205 3.635 -0.588 210 2HB ASP 26 HB1 ASP 26 -7.641 2.957 0.178 211 H ASN 27 HN ASN 27 -6.836 1.011 2.333 212 HA ASN 27 HA ASN 27 -8.746 2.099 4.230 213 1HB ASN 27 HB2 ASN 27 -9.314 -0.424 4.427 214 2HB ASN 27 HB1 ASN 27 -9.675 0.368 2.888 215 1HD2 ASN 27 HD21 ASN 27 -7.369 -1.708 4.571 216 2HD2 ASN 27 HD22 ASN 27 -6.626 -2.364 3.143 217 H GLY 28 HN GLY 28 -5.537 0.929 4.364 218 1HA GLY 28 HA2 GLY 28 -5.741 0.531 7.248 219 2HA GLY 28 HA1 GLY 28 -5.264 -0.876 6.311 220 H GLU 29 HN GLU 29 -3.723 0.435 8.340 221 HA GLU 29 HA GLU 29 -1.837 2.212 7.073 222 1HB GLU 29 HB2 GLU 29 -1.587 0.950 9.804 223 2HB GLU 29 HB1 GLU 29 -0.844 2.437 9.233 224 1HG GLU 29 HG2 GLU 29 -3.788 2.001 9.712 225 2HG GLU 29 HG1 GLU 29 -2.683 2.881 10.763 226 H LEU 30 HN LEU 30 0.611 1.624 7.910 227 HA LEU 30 HA LEU 30 1.486 -0.498 6.286 228 1HB LEU 30 HB2 LEU 30 3.114 1.074 6.485 229 2HB LEU 30 HB1 LEU 30 2.757 1.400 8.166 230 HG LEU 30 HG LEU 30 3.951 -0.607 8.827 231 1HD1 LEU 30 HD11 LEU 30 3.454 -1.842 6.656 232 2HD1 LEU 30 HD12 LEU 30 5.033 -2.088 7.401 233 3HD1 LEU 30 HD13 LEU 30 4.874 -1.010 6.017 234 1HD2 LEU 30 HD21 LEU 30 5.569 1.092 6.952 235 2HD2 LEU 30 HD22 LEU 30 6.212 0.077 8.243 236 3HD2 LEU 30 HD23 LEU 30 5.202 1.469 8.637 237 H ARG 31 HN ARG 31 1.047 -2.488 6.629 238 HA ARG 31 HA ARG 31 1.463 -3.601 9.319 239 1HB ARG 31 HB2 ARG 31 -0.080 -4.767 6.994 240 2HB ARG 31 HB1 ARG 31 0.060 -5.465 8.594 241 1HG ARG 31 HG2 ARG 31 -1.001 -3.248 9.394 242 2HG ARG 31 HG1 ARG 31 -1.497 -3.096 7.703 243 1HD ARG 31 HD2 ARG 31 -3.243 -4.180 9.062 244 2HD ARG 31 HD1 ARG 31 -2.615 -5.274 7.821 245 HE ARG 31 HE ARG 31 -1.524 -6.517 9.470 246 1HH1 ARG 31 HH11 ARG 31 -3.368 -3.883 10.854 247 2HH1 ARG 31 HH12 ARG 31 -3.451 -4.598 12.435 248 1HH2 ARG 31 HH21 ARG 31 -1.631 -7.476 11.539 249 2HH2 ARG 31 HH22 ARG 31 -2.440 -6.638 12.833 250 H SER 32 HN SER 32 3.275 -4.737 9.569 251 HA SER 32 HA SER 32 5.111 -5.128 7.455 252 1HB SER 32 HB2 SER 32 5.314 -6.582 10.071 253 2HB SER 32 HB1 SER 32 6.591 -5.851 9.094 254 HG SER 32 HG SER 32 6.380 -4.324 10.553 255 H TYR 33 HN TYR 33 5.522 -6.855 6.189 256 HA TYR 33 HA TYR 33 3.476 -8.467 5.394 257 1HB TYR 33 HB2 TYR 33 6.348 -9.335 5.148 258 2HB TYR 33 HB1 TYR 33 5.030 -9.647 4.030 259 HD1 TYR 33 HD1 TYR 33 3.964 -7.463 2.938 260 HD2 TYR 33 HD2 TYR 33 7.838 -7.665 4.697 261 HE1 TYR 33 HE1 TYR 33 4.646 -5.491 1.638 262 HE2 TYR 33 HE2 TYR 33 8.534 -5.687 3.407 263 HH TYR 33 HH TYR 33 6.438 -3.647 1.919 264 H GLN 34 HN GLN 34 5.746 -9.157 7.924 265 HA GLN 34 HA GLN 34 5.594 -11.941 8.053 266 1HB GLN 34 HB2 GLN 34 6.157 -9.892 10.195 267 2HB GLN 34 HB1 GLN 34 6.374 -11.620 10.418 268 1HG GLN 34 HG2 GLN 34 8.495 -10.590 9.962 269 2HG GLN 34 HG1 GLN 34 8.046 -11.625 8.612 270 1HE2 GLN 34 HE21 GLN 34 8.361 -8.315 9.707 271 2HE2 GLN 34 HE22 GLN 34 8.444 -7.607 8.127 272 H ASP 35 HN ASP 35 3.470 -9.492 9.355 273 HA ASP 35 HA ASP 35 2.226 -11.004 11.386 274 1HB ASP 35 HB2 ASP 35 2.131 -8.523 11.128 275 2HB ASP 35 HB1 ASP 35 1.015 -8.741 9.797 276 HA PRO 36 HA PRO 36 -0.145 -13.936 9.141 277 1HB PRO 36 HB2 PRO 36 -1.990 -13.876 11.452 278 2HB PRO 36 HB1 PRO 36 -1.071 -15.224 10.775 279 1HG PRO 36 HG2 PRO 36 -0.359 -14.104 13.088 280 2HG PRO 36 HG1 PRO 36 0.861 -14.657 11.924 281 1HD PRO 36 HD2 PRO 36 -0.118 -11.879 12.469 282 2HD PRO 36 HD1 PRO 36 1.538 -12.454 12.180 283 H SER 37 HN SER 37 -1.541 -10.919 10.194 284 HA SER 37 HA SER 37 -4.115 -11.423 8.981 285 1HB SER 37 HB2 SER 37 -2.968 -8.732 9.708 286 2HB SER 37 HB1 SER 37 -4.665 -9.222 9.674 287 HG SER 37 HG SER 37 -2.685 -9.697 11.599 288 H ASN 38 HN ASN 38 -1.037 -10.184 8.190 289 HA ASN 38 HA ASN 38 -1.843 -8.798 5.801 290 1HB ASN 38 HB2 ASN 38 0.947 -9.509 6.694 291 2HB ASN 38 HB1 ASN 38 0.470 -8.235 5.570 292 1HD2 ASN 38 HD21 ASN 38 1.980 -7.970 7.996 293 2HD2 ASN 38 HD22 ASN 38 1.075 -6.944 9.051 294 H ALA 39 HN ALA 39 -0.540 -11.878 6.711 295 HA ALA 39 HA ALA 39 0.187 -12.957 4.270 296 1HB ALA 39 HB1 ALA 39 -1.350 -14.338 6.468 297 2HB ALA 39 HB2 ALA 39 0.401 -14.140 6.402 298 3HB ALA 39 HB3 ALA 39 -0.420 -15.130 5.195 299 H GLN 40 HN GLN 40 -3.035 -12.402 5.578 300 HA GLN 40 HA GLN 40 -4.607 -13.661 3.653 301 1HB GLN 40 HB2 GLN 40 -5.597 -12.691 5.646 302 2HB GLN 40 HB1 GLN 40 -5.085 -11.079 5.162 303 1HG GLN 40 HG2 GLN 40 -6.575 -11.943 3.011 304 2HG GLN 40 HG1 GLN 40 -7.440 -12.596 4.403 305 1HE2 GLN 40 HE21 GLN 40 -6.433 -9.728 2.740 306 2HE2 GLN 40 HE22 GLN 40 -7.435 -8.605 3.611 307 H PHE 41 HN PHE 41 -3.663 -10.231 3.768 308 HA PHE 41 HA PHE 41 -4.598 -9.509 1.245 309 1HB PHE 41 HB2 PHE 41 -2.211 -8.388 2.724 310 2HB PHE 41 HB1 PHE 41 -3.016 -7.622 1.363 311 HD1 PHE 41 HD1 PHE 41 -5.355 -6.799 1.636 312 HD2 PHE 41 HD2 PHE 41 -2.999 -8.136 4.909 313 HE1 PHE 41 HE1 PHE 41 -6.818 -5.584 3.194 314 HE2 PHE 41 HE2 PHE 41 -4.459 -6.937 6.473 315 HZ PHE 41 HZ PHE 41 -6.372 -5.653 5.615 316 H LEU 42 HN LEU 42 -1.278 -10.309 2.217 317 HA LEU 42 HA LEU 42 -0.036 -9.933 -0.196 318 1HB LEU 42 HB2 LEU 42 0.592 -11.874 2.010 319 2HB LEU 42 HB1 LEU 42 1.654 -11.617 0.640 320 HG LEU 42 HG LEU 42 0.813 -9.458 2.571 321 1HD1 LEU 42 HD11 LEU 42 2.191 -11.162 3.664 322 2HD1 LEU 42 HD12 LEU 42 3.055 -9.636 3.483 323 3HD1 LEU 42 HD13 LEU 42 3.405 -10.982 2.399 324 1HD2 LEU 42 HD21 LEU 42 1.369 -8.599 0.373 325 2HD2 LEU 42 HD22 LEU 42 2.868 -9.528 0.364 326 3HD2 LEU 42 HD23 LEU 42 2.657 -8.206 1.512 327 H GLU 43 HN GLU 43 -1.496 -12.994 0.949 328 HA GLU 43 HA GLU 43 -0.697 -14.400 -1.390 329 1HB GLU 43 HB2 GLU 43 -2.777 -15.069 0.688 330 2HB GLU 43 HB1 GLU 43 -2.312 -16.148 -0.623 331 1HG GLU 43 HG2 GLU 43 0.102 -15.738 0.319 332 2HG GLU 43 HG1 GLU 43 -0.781 -15.324 1.788 333 H SER 44 HN SER 44 -3.776 -12.869 -0.426 334 HA SER 44 HA SER 44 -5.204 -13.627 -2.725 335 1HB SER 44 HB2 SER 44 -5.529 -11.212 -0.926 336 2HB SER 44 HB1 SER 44 -6.690 -11.692 -2.156 337 HG SER 44 HG SER 44 -6.522 -13.842 -0.958 338 H ILE 45 HN ILE 45 -3.162 -10.837 -2.030 339 HA ILE 45 HA ILE 45 -3.688 -9.479 -4.470 340 HB ILE 45 HB ILE 45 -1.361 -9.201 -2.552 341 1HG1 ILE 45 HG12 ILE 45 -3.885 -7.548 -2.783 342 2HG1 ILE 45 HG11 ILE 45 -3.662 -8.841 -1.611 343 1HG2 ILE 45 HG21 ILE 45 -2.331 -7.338 -4.713 344 2HG2 ILE 45 HG22 ILE 45 -0.806 -8.225 -4.702 345 3HG2 ILE 45 HG23 ILE 45 -1.099 -6.955 -3.512 346 1HD1 ILE 45 HD11 ILE 45 -2.009 -6.334 -1.790 347 2HD1 ILE 45 HD12 ILE 45 -1.823 -7.619 -0.596 348 3HD1 ILE 45 HD13 ILE 45 -3.296 -6.646 -0.624 349 H ARG 46 HN ARG 46 -1.424 -11.980 -3.536 350 HA ARG 46 HA ARG 46 0.217 -11.858 -5.860 351 1HB ARG 46 HB2 ARG 46 -0.383 -14.106 -3.934 352 2HB ARG 46 HB1 ARG 46 0.719 -14.284 -5.289 353 1HG ARG 46 HG2 ARG 46 2.198 -12.629 -4.377 354 2HG ARG 46 HG1 ARG 46 1.053 -12.267 -3.080 355 1HD ARG 46 HD2 ARG 46 1.282 -14.556 -2.243 356 2HD ARG 46 HD1 ARG 46 2.421 -14.917 -3.539 357 HE ARG 46 HE ARG 46 3.476 -12.740 -2.221 358 1HH1 ARG 46 HH11 ARG 46 2.526 -15.998 -1.315 359 2HH1 ARG 46 HH12 ARG 46 3.773 -16.154 -0.116 360 1HH2 ARG 46 HH21 ARG 46 5.099 -12.944 -0.641 361 2HH2 ARG 46 HH22 ARG 46 5.230 -14.412 0.288 362 H ARG 47 HN ARG 47 -2.654 -13.742 -5.000 363 HA ARG 47 HA ARG 47 -2.647 -15.215 -7.460 364 1HB ARG 47 HB2 ARG 47 -4.835 -15.021 -5.389 365 2HB ARG 47 HB1 ARG 47 -4.659 -16.263 -6.620 366 1HG ARG 47 HG2 ARG 47 -2.862 -15.789 -4.254 367 2HG ARG 47 HG1 ARG 47 -3.954 -17.152 -4.513 368 1HD ARG 47 HD2 ARG 47 -1.575 -16.461 -6.228 369 2HD ARG 47 HD1 ARG 47 -1.606 -17.717 -4.990 370 HE ARG 47 HE ARG 47 -3.702 -18.305 -6.677 371 1HH1 ARG 47 HH11 ARG 47 -0.253 -17.820 -7.084 372 2HH1 ARG 47 HH12 ARG 47 -0.105 -19.014 -8.336 373 1HH2 ARG 47 HH21 ARG 47 -3.516 -19.855 -8.350 374 2HH2 ARG 47 HH22 ARG 47 -1.960 -20.171 -9.062 375 H GLY 48 HN GLY 48 -3.613 -12.115 -6.749 376 1HA GLY 48 HA2 GLY 48 -4.701 -10.600 -8.142 377 2HA GLY 48 HA1 GLY 48 -5.168 -11.939 -9.185 378 H GLU 49 HN GLU 49 -5.741 -12.184 -5.812 379 HA GLU 49 HA GLU 49 -8.617 -12.145 -6.245 380 1HB GLU 49 HB2 GLU 49 -7.063 -12.752 -3.730 381 2HB GLU 49 HB1 GLU 49 -8.778 -13.032 -3.988 382 1HG GLU 49 HG2 GLU 49 -8.217 -14.656 -5.743 383 2HG GLU 49 HG1 GLU 49 -6.509 -14.405 -5.394 384 H VAL 50 HN VAL 50 -9.867 -11.097 -4.310 385 HA VAL 50 HA VAL 50 -8.671 -8.442 -3.870 386 HB VAL 50 HB VAL 50 -11.602 -9.105 -4.162 387 1HG1 VAL 50 HG11 VAL 50 -11.937 -6.685 -4.036 388 2HG1 VAL 50 HG12 VAL 50 -10.208 -6.464 -3.758 389 3HG1 VAL 50 HG13 VAL 50 -11.190 -7.311 -2.565 390 1HG2 VAL 50 HG21 VAL 50 -11.469 -7.777 -6.222 391 2HG2 VAL 50 HG22 VAL 50 -10.419 -9.193 -6.294 392 3HG2 VAL 50 HG23 VAL 50 -9.729 -7.598 -5.990 393 HA PRO 51 HA PRO 51 -8.947 -9.461 0.540 394 1HB PRO 51 HB2 PRO 51 -8.278 -6.558 0.544 395 2HB PRO 51 HB1 PRO 51 -7.537 -7.881 1.447 396 1HG PRO 51 HG2 PRO 51 -6.323 -6.781 -0.634 397 2HG PRO 51 HG1 PRO 51 -6.212 -8.520 -0.311 398 1HD PRO 51 HD2 PRO 51 -7.787 -7.064 -2.376 399 2HD PRO 51 HD1 PRO 51 -7.023 -8.663 -2.458 400 H ALA 52 HN ALA 52 -10.641 -9.182 1.901 401 HA ALA 52 HA ALA 52 -13.022 -7.990 0.982 402 1HB ALA 52 HB1 ALA 52 -13.919 -8.541 3.187 403 2HB ALA 52 HB2 ALA 52 -12.288 -8.872 3.773 404 3HB ALA 52 HB3 ALA 52 -12.998 -9.888 2.518 405 H GLU 53 HN GLU 53 -10.334 -6.768 2.704 406 HA GLU 53 HA GLU 53 -11.425 -4.609 4.084 407 1HB GLU 53 HB2 GLU 53 -8.758 -4.977 2.728 408 2HB GLU 53 HB1 GLU 53 -9.142 -3.560 3.690 409 1HG GLU 53 HG2 GLU 53 -7.845 -5.239 4.916 410 2HG GLU 53 HG1 GLU 53 -9.409 -4.910 5.662 411 H LEU 54 HN LEU 54 -10.863 -5.068 0.682 412 HA LEU 54 HA LEU 54 -11.184 -2.242 0.080 413 1HB LEU 54 HB2 LEU 54 -11.233 -4.326 -2.053 414 2HB LEU 54 HB1 LEU 54 -10.507 -2.731 -2.061 415 HG LEU 54 HG LEU 54 -9.385 -5.150 -0.656 416 1HD1 LEU 54 HD11 LEU 54 -7.671 -5.044 -2.393 417 2HD1 LEU 54 HD12 LEU 54 -8.532 -3.707 -3.160 418 3HD1 LEU 54 HD13 LEU 54 -9.276 -5.304 -3.081 419 1HD2 LEU 54 HD21 LEU 54 -8.814 -3.120 0.518 420 2HD2 LEU 54 HD22 LEU 54 -8.343 -2.347 -0.994 421 3HD2 LEU 54 HD23 LEU 54 -7.402 -3.703 -0.366 422 H ARG 55 HN ARG 55 -12.814 -5.295 -0.647 423 HA ARG 55 HA ARG 55 -14.967 -4.011 -2.017 424 1HB ARG 55 HB2 ARG 55 -14.005 -6.374 -2.378 425 2HB ARG 55 HB1 ARG 55 -14.983 -6.850 -1.000 426 1HG ARG 55 HG2 ARG 55 -16.081 -5.594 -3.510 427 2HG ARG 55 HG1 ARG 55 -16.026 -7.330 -3.199 428 1HD ARG 55 HD2 ARG 55 -17.478 -7.088 -1.305 429 2HD ARG 55 HD1 ARG 55 -17.421 -5.332 -1.433 430 HE ARG 55 HE ARG 55 -18.595 -7.009 -3.564 431 1HH1 ARG 55 HH11 ARG 55 -18.763 -4.292 -1.342 432 2HH1 ARG 55 HH12 ARG 55 -20.344 -3.798 -1.870 433 1HH2 ARG 55 HH21 ARG 55 -20.666 -6.356 -4.257 434 2HH2 ARG 55 HH22 ARG 55 -21.430 -4.986 -3.512 435 H ARG 56 HN ARG 56 -14.612 -5.542 1.161 436 HA ARG 56 HA ARG 56 -17.350 -4.900 1.828 437 1HB ARG 56 HB2 ARG 56 -15.186 -6.168 3.516 438 2HB ARG 56 HB1 ARG 56 -16.888 -6.046 3.950 439 1HG ARG 56 HG2 ARG 56 -15.759 -7.586 1.618 440 2HG ARG 56 HG1 ARG 56 -16.356 -8.266 3.133 441 1HD ARG 56 HD2 ARG 56 -18.556 -7.826 2.622 442 2HD ARG 56 HD1 ARG 56 -18.147 -6.506 1.528 443 HE ARG 56 HE ARG 56 -17.124 -8.772 0.353 444 1HH1 ARG 56 HH11 ARG 56 -20.306 -7.750 1.434 445 2HH1 ARG 56 HH12 ARG 56 -21.141 -8.578 0.146 446 1HH2 ARG 56 HH21 ARG 56 -18.224 -9.850 -1.333 447 2HH2 ARG 56 HH22 ARG 56 -19.963 -9.769 -1.424 448 H LEU 57 HN LEU 57 -15.686 -2.742 1.203 449 HA LEU 57 HA LEU 57 -15.972 -1.209 3.685 450 1HB LEU 57 HB2 LEU 57 -13.553 -1.765 3.194 451 2HB LEU 57 HB1 LEU 57 -13.712 -0.861 1.704 452 HG LEU 57 HG LEU 57 -12.581 0.325 3.639 453 1HD1 LEU 57 HD11 LEU 57 -15.007 1.650 2.444 454 2HD1 LEU 57 HD12 LEU 57 -13.411 1.542 1.701 455 3HD1 LEU 57 HD13 LEU 57 -13.632 2.474 3.183 456 1HD2 LEU 57 HD21 LEU 57 -15.410 0.431 4.670 457 2HD2 LEU 57 HD22 LEU 57 -14.044 1.342 5.318 458 3HD2 LEU 57 HD23 LEU 57 -14.056 -0.420 5.415 459 H ALA 58 HN ALA 58 -15.173 -0.815 0.225 460 HA ALA 58 HA ALA 58 -16.854 1.484 -0.069 461 1HB ALA 58 HB1 ALA 58 -16.441 1.257 -2.470 462 2HB ALA 58 HB2 ALA 58 -15.644 -0.289 -2.176 463 3HB ALA 58 HB3 ALA 58 -14.946 1.201 -1.539 464 H HIS 59 HN HIS 59 -18.894 1.657 -0.768 465 HA HIS 59 HA HIS 59 -20.353 -0.809 -1.367 466 1HB HIS 59 HB2 HIS 59 -21.286 1.993 -0.726 467 2HB HIS 59 HB1 HIS 59 -22.375 0.717 -1.258 468 HD1 HIS 59 HD1 HIS 59 -23.391 -0.635 0.539 469 HD2 HIS 59 HD2 HIS 59 -19.880 1.215 1.790 470 HE1 HIS 59 HE1 HIS 59 -23.177 -1.169 2.989 471 HE2 HIS 59 HE2 HIS 59 -20.961 -0.188 3.680 472 H GLY 60 HN GLY 60 -21.001 -1.291 -3.375 473 1HA GLY 60 HA2 GLY 60 -21.854 -0.061 -5.499 474 2HA GLY 60 HA1 GLY 60 -20.226 0.606 -5.491 475 H GLY 61 HN GLY 61 -18.765 -1.607 -4.700 476 1HA GLY 61 HA2 GLY 61 -18.617 -3.993 -5.239 477 2HA GLY 61 HA1 GLY 61 -19.403 -3.618 -6.761 478 H GLN 62 HN GLN 62 -17.761 -1.185 -7.140 479 HA GLN 62 HA GLN 62 -15.675 -2.259 -8.680 480 1HB GLN 62 HB2 GLN 62 -16.796 0.103 -8.677 481 2HB GLN 62 HB1 GLN 62 -15.541 0.501 -7.517 482 1HG GLN 62 HG2 GLN 62 -15.197 -0.342 -10.376 483 2HG GLN 62 HG1 GLN 62 -14.826 1.221 -9.652 484 1HE2 GLN 62 HE21 GLN 62 -13.044 1.380 -8.258 485 2HE2 GLN 62 HE22 GLN 62 -11.727 0.267 -8.373 486 H VAL 63 HN VAL 63 -13.882 -3.226 -7.982 487 HA VAL 63 HA VAL 63 -12.537 -2.157 -5.609 488 HB VAL 63 HB VAL 63 -11.815 -4.549 -5.103 489 1HG1 VAL 63 HG11 VAL 63 -13.859 -5.033 -3.855 490 2HG1 VAL 63 HG12 VAL 63 -14.733 -3.841 -4.818 491 3HG1 VAL 63 HG13 VAL 63 -13.432 -3.325 -3.745 492 1HG2 VAL 63 HG21 VAL 63 -13.325 -6.330 -5.869 493 2HG2 VAL 63 HG22 VAL 63 -12.469 -5.578 -7.216 494 3HG2 VAL 63 HG23 VAL 63 -14.157 -5.170 -6.906 495 H ASN 64 HN ASN 64 -10.840 -1.168 -6.535 496 HA ASN 64 HA ASN 64 -9.102 -2.823 -8.242 497 1HB ASN 64 HB2 ASN 64 -10.255 -0.861 -9.382 498 2HB ASN 64 HB1 ASN 64 -9.271 0.186 -8.364 499 1HD2 ASN 64 HD21 ASN 64 -7.035 0.286 -8.696 500 2HD2 ASN 64 HD22 ASN 64 -6.310 -0.292 -10.154 501 H LEU 65 HN LEU 65 -7.173 -3.198 -7.392 502 HA LEU 65 HA LEU 65 -6.224 -1.431 -5.236 503 1HB LEU 65 HB2 LEU 65 -6.652 -3.621 -4.397 504 2HB LEU 65 HB1 LEU 65 -5.766 -4.364 -5.707 505 HG LEU 65 HG LEU 65 -3.739 -3.113 -4.756 506 1HD1 LEU 65 HD11 LEU 65 -3.902 -2.698 -2.340 507 2HD1 LEU 65 HD12 LEU 65 -5.638 -3.002 -2.437 508 3HD1 LEU 65 HD13 LEU 65 -4.935 -1.633 -3.294 509 1HD2 LEU 65 HD21 LEU 65 -3.365 -4.927 -3.109 510 2HD2 LEU 65 HD22 LEU 65 -3.958 -5.517 -4.661 511 3HD2 LEU 65 HD23 LEU 65 -5.060 -5.396 -3.285 512 H ASP 66 HN ASP 66 -4.628 -0.180 -5.757 513 HA ASP 66 HA ASP 66 -2.890 -0.892 -8.022 514 1HB ASP 66 HB2 ASP 66 -3.365 1.791 -6.687 515 2HB ASP 66 HB1 ASP 66 -2.319 1.515 -8.074 516 H MET 67 HN MET 67 -0.566 -0.519 -7.754 517 HA MET 67 HA MET 67 0.232 -0.682 -4.925 518 1HB MET 67 HB2 MET 67 0.994 -2.571 -7.146 519 2HB MET 67 HB1 MET 67 1.910 -2.449 -5.650 520 1HG MET 67 HG2 MET 67 0.009 -3.140 -4.362 521 2HG MET 67 HG1 MET 67 -1.020 -3.112 -5.795 522 1HE MET 67 HE1 MET 67 2.695 -4.429 -5.618 523 2HE MET 67 HE2 MET 67 2.435 -6.118 -5.185 524 3HE MET 67 HE3 MET 67 2.031 -4.838 -4.038 525 H GLU 68 HN GLU 68 1.501 0.952 -4.519 526 HA GLU 68 HA GLU 68 3.529 1.760 -6.504 527 1HB GLU 68 HB2 GLU 68 2.592 3.197 -4.008 528 2HB GLU 68 HB1 GLU 68 3.799 3.791 -5.137 529 1HG GLU 68 HG2 GLU 68 2.040 3.814 -6.899 530 2HG GLU 68 HG1 GLU 68 0.864 3.402 -5.649 531 H ASP 69 HN ASP 69 5.724 1.929 -5.821 532 HA ASP 69 HA ASP 69 6.292 0.385 -3.390 533 1HB ASP 69 HB2 ASP 69 8.476 -0.089 -4.305 534 2HB ASP 69 HB1 ASP 69 7.258 -0.474 -5.515 535 H HIS 70 HN HIS 70 7.144 1.320 -1.694 536 HA HIS 70 HA HIS 70 8.649 3.809 -1.872 537 1HB HIS 70 HB2 HIS 70 6.103 3.580 -0.246 538 2HB HIS 70 HB1 HIS 70 7.257 4.894 -0.123 539 HD1 HIS 70 HD1 HIS 70 7.286 6.642 -2.084 540 HD2 HIS 70 HD2 HIS 70 4.302 3.742 -2.302 541 HE1 HIS 70 HE1 HIS 70 5.622 7.500 -3.763 542 HE2 HIS 70 HE2 HIS 70 3.760 5.793 -3.802 543 H ARG 71 HN ARG 71 9.708 1.413 -1.273 544 HA ARG 71 HA ARG 71 9.219 0.520 1.365 545 1HB ARG 71 HB2 ARG 71 11.544 -0.135 -0.451 546 2HB ARG 71 HB1 ARG 71 11.078 -1.026 0.996 547 1HG ARG 71 HG2 ARG 71 8.820 -1.350 -0.103 548 2HG ARG 71 HG1 ARG 71 9.573 -0.768 -1.586 549 1HD ARG 71 HD2 ARG 71 9.576 -3.178 -1.556 550 2HD ARG 71 HD1 ARG 71 11.236 -2.587 -1.408 551 HE ARG 71 HE ARG 71 10.516 -2.938 1.158 552 1HH1 ARG 71 HH11 ARG 71 10.330 -4.988 -1.659 553 2HH1 ARG 71 HH12 ARG 71 10.365 -6.471 -0.750 554 1HH2 ARG 71 HH21 ARG 71 10.612 -4.885 2.369 555 2HH2 ARG 71 HH22 ARG 71 10.570 -6.411 1.542 556 H ASP 72 HN ASP 72 12.049 2.233 0.004 557 HA ASP 72 HA ASP 72 13.039 2.682 2.697 558 1HB ASP 72 HB2 ASP 72 14.959 3.753 1.658 559 2HB ASP 72 HB1 ASP 72 14.648 2.203 0.891 560 H GLU 73 HN GLU 73 10.634 3.902 1.076 561 HA GLU 73 HA GLU 73 10.923 6.736 1.495 562 1HB GLU 73 HB2 GLU 73 9.483 5.563 -0.249 563 2HB GLU 73 HB1 GLU 73 8.417 5.120 1.063 564 1HG GLU 73 HG2 GLU 73 7.342 6.943 0.339 565 2HG GLU 73 HG1 GLU 73 8.434 7.726 1.483 566 H ASP 74 HN ASP 74 9.773 3.957 3.151 567 HA ASP 74 HA ASP 74 8.950 3.498 5.200 568 1HB ASP 74 HB2 ASP 74 10.486 5.625 5.808 569 2HB ASP 74 HB1 ASP 74 8.894 6.295 6.169 570 H PHE 75 HN PHE 75 7.088 4.451 6.761 571 HA PHE 75 HA PHE 75 4.883 3.996 4.986 572 1HB PHE 75 HB2 PHE 75 4.882 2.815 7.062 573 2HB PHE 75 HB1 PHE 75 5.079 4.307 7.966 574 HD1 PHE 75 HD1 PHE 75 2.700 3.292 5.279 575 HD2 PHE 75 HD2 PHE 75 3.218 4.625 9.285 576 HE1 PHE 75 HE1 PHE 75 0.261 3.394 5.550 577 HE2 PHE 75 HE2 PHE 75 0.778 4.742 9.560 578 HZ PHE 75 HZ PHE 75 -0.702 4.125 7.696 579 H VAL 76 HN VAL 76 4.233 5.678 3.785 580 HA VAL 76 HA VAL 76 3.023 7.898 5.208 581 HB VAL 76 HB VAL 76 5.192 8.795 4.741 582 1HG1 VAL 76 HG11 VAL 76 4.752 8.046 1.857 583 2HG1 VAL 76 HG12 VAL 76 5.895 7.294 2.969 584 3HG1 VAL 76 HG13 VAL 76 6.114 8.975 2.484 585 1HG2 VAL 76 HG21 VAL 76 3.195 9.893 2.769 586 2HG2 VAL 76 HG22 VAL 76 4.617 10.738 3.381 587 3HG2 VAL 76 HG23 VAL 76 3.305 10.311 4.478 588 H LYS 77 HN LYS 77 1.079 6.831 4.571 589 HA LYS 77 HA LYS 77 0.261 7.842 1.973 590 1HB LYS 77 HB2 LYS 77 0.416 5.295 1.955 591 2HB LYS 77 HB1 LYS 77 -0.946 5.307 3.050 592 1HG LYS 77 HG2 LYS 77 -1.007 6.564 0.324 593 2HG LYS 77 HG1 LYS 77 -1.513 4.911 0.656 594 1HD LYS 77 HD2 LYS 77 -2.720 7.380 1.908 595 2HD LYS 77 HD1 LYS 77 -3.407 6.497 0.545 596 1HE LYS 77 HE2 LYS 77 -3.594 4.495 1.957 597 2HE LYS 77 HE1 LYS 77 -2.935 5.401 3.316 598 1HZ LYS 77 HZ1 LYS 77 -4.842 6.888 3.206 599 2HZ LYS 77 HZ2 LYS 77 -5.349 5.286 3.414 600 3HZ LYS 77 HZ3 LYS 77 -5.478 6.020 1.893 601 HA PRO 78 HA PRO 78 -3.195 8.589 5.185 602 1HB PRO 78 HB2 PRO 78 -2.489 7.111 7.589 603 2HB PRO 78 HB1 PRO 78 -3.945 6.962 6.595 604 1HG PRO 78 HG2 PRO 78 -2.096 5.005 6.739 605 2HG PRO 78 HG1 PRO 78 -3.016 5.336 5.250 606 1HD PRO 78 HD2 PRO 78 -0.252 6.310 5.996 607 2HD PRO 78 HD1 PRO 78 -0.772 5.501 4.519 608 H LYS 79 HN LYS 79 -2.315 8.413 8.229 609 HA LYS 79 HA LYS 79 -1.219 9.660 9.754 610 1HB LYS 79 HB2 LYS 79 0.786 9.989 7.520 611 2HB LYS 79 HB1 LYS 79 1.055 10.521 9.174 612 1HG LYS 79 HG2 LYS 79 0.601 7.675 8.270 613 2HG LYS 79 HG1 LYS 79 2.141 8.393 8.751 614 1HD LYS 79 HD2 LYS 79 1.116 8.881 10.993 615 2HD LYS 79 HD1 LYS 79 -0.285 7.938 10.485 616 1HE LYS 79 HE2 LYS 79 1.227 6.005 10.105 617 2HE LYS 79 HE1 LYS 79 2.552 6.963 10.763 618 1HZ LYS 79 HZ1 LYS 79 1.614 5.508 12.435 619 2HZ LYS 79 HZ2 LYS 79 0.079 6.185 12.214 620 3HZ LYS 79 HZ3 LYS 79 1.341 7.127 12.852 621 H GLY 80 HN GLY 80 -0.220 11.566 6.953 622 1HA GLY 80 HA2 GLY 80 -1.953 13.583 6.752 623 2HA GLY 80 HA1 GLY 80 -1.165 13.973 8.276 624 H ALA 81 HN ALA 81 1.078 14.430 8.281 625 HA ALA 81 HA ALA 81 1.989 15.849 6.006 626 1HB ALA 81 HB1 ALA 81 3.979 16.292 7.323 627 2HB ALA 81 HB2 ALA 81 3.501 15.064 8.495 628 3HB ALA 81 HB3 ALA 81 2.533 16.526 8.306 629 H PHE 82 HN PHE 82 3.998 15.443 4.917 630 HA PHE 82 HA PHE 82 4.066 12.651 4.115 631 1HB PHE 82 HB2 PHE 82 5.124 15.198 2.931 632 2HB PHE 82 HB1 PHE 82 5.471 13.618 2.237 633 HD1 PHE 82 HD1 PHE 82 3.125 16.313 2.480 634 HD2 PHE 82 HD2 PHE 82 3.546 12.209 1.448 635 HE1 PHE 82 HE1 PHE 82 1.016 16.421 1.220 636 HE2 PHE 82 HE2 PHE 82 1.437 12.307 0.184 637 HZ PHE 82 HZ PHE 82 0.170 14.416 0.069 638 H LYS 83 HN LYS 83 5.345 11.509 5.475 639 HA LYS 83 HA LYS 83 7.996 12.497 6.166 640 1HB LYS 83 HB2 LYS 83 8.171 10.542 7.585 641 2HB LYS 83 HB1 LYS 83 6.616 11.316 7.862 642 1HG LYS 83 HG2 LYS 83 5.468 9.644 6.602 643 2HG LYS 83 HG1 LYS 83 6.993 8.958 6.031 644 1HD LYS 83 HD2 LYS 83 6.029 8.995 8.892 645 2HD LYS 83 HD1 LYS 83 6.018 7.600 7.811 646 1HE LYS 83 HE2 LYS 83 8.501 7.845 7.610 647 2HE LYS 83 HE1 LYS 83 8.422 9.079 8.866 648 1HZ LYS 83 HZ1 LYS 83 7.291 7.313 10.259 649 2HZ LYS 83 HZ2 LYS 83 8.947 7.104 9.964 650 3HZ LYS 83 HZ3 LYS 83 7.816 6.193 9.093 651 H ALA 84 HN ALA 84 7.073 11.681 3.416 652 HA ALA 84 HA ALA 84 8.159 9.276 2.560 653 1HB ALA 84 HB1 ALA 84 8.149 10.278 0.323 654 2HB ALA 84 HB2 ALA 84 7.900 11.869 1.042 655 3HB ALA 84 HB3 ALA 84 6.660 10.625 1.201 656 H PHE 85 HN PHE 85 10.184 8.593 2.793 657 HA PHE 85 HA PHE 85 12.315 10.568 2.964 658 1HB PHE 85 HB2 PHE 85 12.100 8.885 4.752 659 2HB PHE 85 HB1 PHE 85 12.405 7.610 3.577 660 HD1 PHE 85 HD1 PHE 85 13.961 10.817 4.688 661 HD2 PHE 85 HD2 PHE 85 14.539 6.777 3.500 662 HE1 PHE 85 HE1 PHE 85 16.375 11.055 5.078 663 HE2 PHE 85 HE2 PHE 85 16.960 7.007 3.889 664 HZ PHE 85 HZ PHE 85 17.880 9.152 4.677 665 H THR 86 HN THR 86 12.594 7.240 1.726 666 HA THR 86 HA THR 86 13.596 6.373 -0.107 667 HB THR 86 HB THR 86 13.178 9.108 -1.345 668 HG1 THR 86 HG1 THR 86 11.206 8.117 -0.956 669 1HG2 THR 86 HG21 THR 86 13.886 6.488 -2.679 670 2HG2 THR 86 HG22 THR 86 14.983 7.852 -2.462 671 3HG2 THR 86 HG23 THR 86 13.561 8.018 -3.494 672 H GLY 87 HN GLY 87 15.682 5.963 -0.613 673 1HA GLY 87 HA2 GLY 87 17.829 7.108 -1.296 674 2HA GLY 87 HA1 GLY 87 17.652 8.013 0.200 675 H GLU 88 HN GLU 88 16.547 4.882 0.627 676 HA GLU 88 HA GLU 88 19.161 4.060 1.709 677 1HB GLU 88 HB2 GLU 88 16.411 3.694 2.885 678 2HB GLU 88 HB1 GLU 88 17.802 2.763 3.422 679 1HG GLU 88 HG2 GLU 88 17.624 5.766 3.474 680 2HG GLU 88 HG1 GLU 88 17.313 4.710 4.850 681 H GLY 89 HN GLY 89 17.034 3.406 -0.670 682 1HA GLY 89 HA2 GLY 89 18.165 0.763 -1.033 683 2HA GLY 89 HA1 GLY 89 16.430 0.775 -0.761 684 H GLN 90 HN GLN 90 15.708 3.056 -2.178 685 HA GLN 90 HA GLN 90 15.692 1.869 -4.797 686 1HB GLN 90 HB2 GLN 90 14.180 4.056 -3.442 687 2HB GLN 90 HB1 GLN 90 14.194 4.002 -5.198 688 1HG GLN 90 HG2 GLN 90 12.262 2.867 -3.998 689 2HG GLN 90 HG1 GLN 90 13.078 1.959 -5.269 690 1HE2 GLN 90 HE21 GLN 90 12.734 2.341 -1.801 691 2HE2 GLN 90 HE22 GLN 90 13.255 0.737 -1.395 692 H LYS 91 HN LYS 91 17.712 3.992 -3.267 693 HA LYS 91 HA LYS 91 18.421 5.586 -5.516 694 1HB LYS 91 HB2 LYS 91 20.432 6.154 -4.301 695 2HB LYS 91 HB1 LYS 91 19.072 6.188 -3.193 696 1HG LYS 91 HG2 LYS 91 19.728 3.977 -2.346 697 2HG LYS 91 HG1 LYS 91 21.112 3.988 -3.438 698 1HD LYS 91 HD2 LYS 91 20.588 5.955 -1.209 699 2HD LYS 91 HD1 LYS 91 21.764 4.643 -1.173 700 1HE LYS 91 HE2 LYS 91 23.095 6.444 -1.713 701 2HE LYS 91 HE1 LYS 91 22.707 5.805 -3.308 702 1HZ LYS 91 HZ1 LYS 91 20.943 7.486 -3.484 703 2HZ LYS 91 HZ2 LYS 91 22.467 8.189 -3.281 704 3HZ LYS 91 HZ3 LYS 91 21.386 8.113 -1.973 705 H LEU 92 HN LEU 92 19.306 2.465 -4.242 706 HA LEU 92 HA LEU 92 20.080 0.588 -5.193 707 1HB LEU 92 HB2 LEU 92 18.888 2.103 -7.421 708 2HB LEU 92 HB1 LEU 92 19.855 0.697 -7.851 709 HG LEU 92 HG LEU 92 17.461 0.706 -6.007 710 1HD1 LEU 92 HD11 LEU 92 16.838 1.094 -8.328 711 2HD1 LEU 92 HD12 LEU 92 16.347 -0.516 -7.804 712 3HD1 LEU 92 HD13 LEU 92 17.771 -0.318 -8.824 713 1HD2 LEU 92 HD21 LEU 92 19.099 -0.998 -5.400 714 2HD2 LEU 92 HD22 LEU 92 19.116 -1.583 -7.063 715 3HD2 LEU 92 HD23 LEU 92 17.650 -1.727 -6.094 716 H GLY 93 HN GLY 93 21.187 2.845 -7.724 717 1HA GLY 93 HA2 GLY 93 23.734 1.496 -7.833 718 2HA GLY 93 HA1 GLY 93 23.232 2.867 -8.811 719 H SER 94 HN SER 94 25.192 3.932 -8.541 720 HA SER 94 HA SER 94 26.812 5.177 -7.586 721 1HB SER 94 HB2 SER 94 25.968 6.856 -5.863 722 2HB SER 94 HB1 SER 94 25.155 6.865 -7.424 723 HG SER 94 HG SER 94 24.035 5.178 -5.547 724 H THR 95 HN THR 95 27.529 2.958 -6.848 725 HA THR 95 HA THR 95 27.907 3.005 -3.934 726 HB THR 95 HB THR 95 27.956 0.436 -4.126 727 HG1 THR 95 HG1 THR 95 26.386 1.025 -6.432 728 1HG2 THR 95 HG21 THR 95 26.190 1.619 -2.937 729 2HG2 THR 95 HG22 THR 95 25.510 0.274 -3.854 730 3HG2 THR 95 HG23 THR 95 25.348 1.924 -4.456 731 H ALA 96 HN ALA 96 29.760 1.375 -3.370 732 HA ALA 96 HA ALA 96 31.974 1.995 -5.202 733 1HB ALA 96 HB1 ALA 96 32.067 1.233 -2.286 734 2HB ALA 96 HB2 ALA 96 32.163 2.877 -2.916 735 3HB ALA 96 HB3 ALA 96 33.439 1.714 -3.284 736 HA PRO 97 HA PRO 97 31.659 -2.456 -5.973 737 1HB PRO 97 HB2 PRO 97 33.025 -2.448 -8.296 738 2HB PRO 97 HB1 PRO 97 31.344 -1.907 -8.191 739 1HG PRO 97 HG2 PRO 97 33.857 -0.282 -8.270 740 2HG PRO 97 HG1 PRO 97 32.324 -0.014 -9.120 741 1HD PRO 97 HD2 PRO 97 33.022 1.309 -6.837 742 2HD PRO 97 HD1 PRO 97 31.341 0.974 -7.293 743 H GLN 98 HN GLN 98 34.461 -0.435 -5.692 744 HA GLN 98 HA GLN 98 36.017 -2.689 -4.707 745 1HB GLN 98 HB2 GLN 98 36.913 -0.898 -6.976 746 2HB GLN 98 HB1 GLN 98 38.022 -1.882 -6.034 747 1HG GLN 98 HG2 GLN 98 36.821 -3.899 -6.760 748 2HG GLN 98 HG1 GLN 98 35.751 -2.893 -7.735 749 1HE2 GLN 98 HE21 GLN 98 37.575 -5.029 -8.547 750 2HE2 GLN 98 HE22 GLN 98 38.658 -4.315 -9.697 751 H VAL 99 HN VAL 99 38.463 -1.268 -4.480 752 HA VAL 99 HA VAL 99 38.050 0.309 -2.200 753 HB VAL 99 HB VAL 99 40.406 1.086 -2.508 754 1HG1 VAL 99 HG11 VAL 99 39.897 -0.954 -1.282 755 2HG1 VAL 99 HG12 VAL 99 41.410 -1.121 -2.174 756 3HG1 VAL 99 HG13 VAL 99 39.939 -1.881 -2.782 757 1HG2 VAL 99 HG21 VAL 99 41.750 0.109 -4.290 758 2HG2 VAL 99 HG22 VAL 99 40.456 1.107 -4.953 759 3HG2 VAL 99 HG23 VAL 99 40.312 -0.651 -4.971 760 H LEU 100 HN LEU 100 37.972 1.134 -5.568 761 HA LEU 100 HA LEU 100 37.777 3.977 -4.942 762 1HB LEU 100 HB2 LEU 100 37.961 2.417 -7.498 763 2HB LEU 100 HB1 LEU 100 37.324 4.049 -7.516 764 HG LEU 100 HG LEU 100 39.454 4.862 -6.525 765 1HD1 LEU 100 HD11 LEU 100 40.382 2.031 -6.960 766 2HD1 LEU 100 HD12 LEU 100 40.176 2.836 -5.404 767 3HD1 LEU 100 HD13 LEU 100 41.408 3.400 -6.533 768 1HD2 LEU 100 HD21 LEU 100 40.802 4.609 -8.541 769 2HD2 LEU 100 HD22 LEU 100 39.114 4.942 -8.928 770 3HD2 LEU 100 HD23 LEU 100 39.748 3.303 -9.083 771 H SER 101 HN SER 101 35.889 5.120 -5.047 772 HA SER 101 HA SER 101 33.576 3.467 -4.549 773 1HB SER 101 HB2 SER 101 32.576 5.664 -3.809 774 2HB SER 101 HB1 SER 101 34.029 5.167 -2.937 775 HG SER 101 HG SER 101 34.392 7.253 -3.444 776 H THR 102 HN THR 102 34.546 3.984 -7.379 777 HA THR 102 HA THR 102 31.948 4.223 -8.497 778 HB THR 102 HB THR 102 32.416 6.622 -8.149 779 HG1 THR 102 HG1 THR 102 31.124 6.458 -9.845 780 1HG2 THR 102 HG21 THR 102 34.845 6.629 -8.354 781 2HG2 THR 102 HG22 THR 102 34.126 7.755 -9.505 782 3HG2 THR 102 HG23 THR 102 34.717 6.189 -10.057 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 28.325 -2.595 -7.970 2 2H GLY 1 HT2 GLY 1 28.027 -4.255 -8.165 3 3H GLY 1 HT3 GLY 1 29.002 -3.716 -6.893 4 1HA GLY 1 HA1 GLY 1 26.107 -3.157 -7.208 5 2HA GLY 1 HA2 GLY 1 26.808 -4.328 -6.100 6 H SER 2 HN SER 2 28.884 -3.074 -4.982 7 HA SER 2 HA SER 2 29.495 -1.631 -3.350 8 1HB SER 2 HB2 SER 2 29.325 0.043 -5.196 9 2HB SER 2 HB1 SER 2 27.652 0.347 -4.728 10 HG SER 2 HG SER 2 28.419 1.034 -2.697 11 H GLU 3 HN GLU 3 27.340 -3.414 -2.938 12 HA GLU 3 HA GLU 3 26.044 -2.106 -0.677 13 1HB GLU 3 HB2 GLU 3 24.413 -1.905 -2.512 14 2HB GLU 3 HB1 GLU 3 24.520 -3.632 -2.808 15 1HG GLU 3 HG2 GLU 3 23.643 -4.013 -0.509 16 2HG GLU 3 HG1 GLU 3 23.397 -2.272 -0.371 17 H LYS 4 HN LYS 4 26.299 -3.366 1.054 18 HA LYS 4 HA LYS 4 27.299 -6.045 0.805 19 1HB LYS 4 HB2 LYS 4 26.242 -4.688 3.293 20 2HB LYS 4 HB1 LYS 4 27.301 -6.088 3.224 21 1HG LYS 4 HG2 LYS 4 27.984 -3.273 2.409 22 2HG LYS 4 HG1 LYS 4 28.554 -4.127 3.840 23 1HD LYS 4 HD2 LYS 4 29.090 -5.132 1.060 24 2HD LYS 4 HD1 LYS 4 30.142 -3.958 1.845 25 1HE LYS 4 HE2 LYS 4 31.110 -6.085 2.209 26 2HE LYS 4 HE1 LYS 4 30.380 -5.602 3.738 27 1HZ LYS 4 HZ1 LYS 4 29.015 -7.377 1.791 28 2HZ LYS 4 HZ2 LYS 4 28.601 -7.098 3.415 29 3HZ LYS 4 HZ3 LYS 4 30.008 -7.963 3.033 30 H ARG 5 HN ARG 5 25.760 -7.241 -0.271 31 HA ARG 5 HA ARG 5 22.992 -7.040 0.381 32 1HB ARG 5 HB2 ARG 5 24.516 -8.863 -1.467 33 2HB ARG 5 HB1 ARG 5 22.763 -8.896 -1.297 34 1HG ARG 5 HG2 ARG 5 22.678 -6.535 -1.989 35 2HG ARG 5 HG1 ARG 5 24.427 -6.559 -2.216 36 1HD ARG 5 HD2 ARG 5 24.219 -8.220 -3.957 37 2HD ARG 5 HD1 ARG 5 22.484 -8.356 -3.664 38 HE ARG 5 HE ARG 5 23.510 -5.730 -4.410 39 1HH1 ARG 5 HH11 ARG 5 21.885 -8.677 -5.413 40 2HH1 ARG 5 HH12 ARG 5 21.142 -7.932 -6.803 41 1HH2 ARG 5 HH21 ARG 5 22.533 -4.760 -6.218 42 2HH2 ARG 5 HH22 ARG 5 21.517 -5.711 -7.262 43 H GLN 6 HN GLN 6 21.659 -8.893 0.776 44 HA GLN 6 HA GLN 6 22.772 -11.091 2.284 45 1HB GLN 6 HB2 GLN 6 21.308 -10.633 4.247 46 2HB GLN 6 HB1 GLN 6 22.563 -9.421 4.037 47 1HG GLN 6 HG2 GLN 6 20.940 -7.913 3.012 48 2HG GLN 6 HG1 GLN 6 19.685 -9.136 3.205 49 1HE2 GLN 6 HE21 GLN 6 22.162 -8.573 5.604 50 2HE2 GLN 6 HE22 GLN 6 21.115 -7.879 6.800 51 H HIS 7 HN HIS 7 20.363 -12.039 3.353 52 HA HIS 7 HA HIS 7 19.043 -12.767 0.864 53 1HB HIS 7 HB2 HIS 7 19.716 -14.456 2.660 54 2HB HIS 7 HB1 HIS 7 18.376 -13.827 3.613 55 HD1 HIS 7 HD1 HIS 7 16.154 -14.886 3.205 56 HD2 HIS 7 HD2 HIS 7 18.823 -15.569 0.087 57 HE1 HIS 7 HE1 HIS 7 14.982 -16.461 1.638 58 HE2 HIS 7 HE2 HIS 7 16.637 -16.929 -0.201 59 H SER 8 HN SER 8 18.600 -10.175 1.367 60 HA SER 8 HA SER 8 15.940 -9.955 2.553 61 1HB SER 8 HB2 SER 8 16.312 -7.480 2.060 62 2HB SER 8 HB1 SER 8 17.385 -8.206 3.257 63 HG SER 8 HG SER 8 18.726 -7.131 1.932 64 H SER 9 HN SER 9 17.132 -10.919 -0.262 65 HA SER 9 HA SER 9 15.436 -9.469 -2.078 66 1HB SER 9 HB2 SER 9 17.017 -12.013 -2.526 67 2HB SER 9 HB1 SER 9 16.320 -10.982 -3.774 68 HG SER 9 HG SER 9 18.461 -10.438 -3.579 69 H GLN 10 HN GLN 10 13.773 -10.274 -0.227 70 HA GLN 10 HA GLN 10 12.536 -12.795 -1.028 71 1HB GLN 10 HB2 GLN 10 11.878 -10.854 1.195 72 2HB GLN 10 HB1 GLN 10 11.030 -12.367 0.904 73 1HG GLN 10 HG2 GLN 10 12.998 -13.638 1.399 74 2HG GLN 10 HG1 GLN 10 13.970 -12.173 1.500 75 1HE2 GLN 10 HE21 GLN 10 10.744 -12.402 2.794 76 2HE2 GLN 10 HE22 GLN 10 11.189 -12.351 4.464 77 H ASP 11 HN ASP 11 12.648 -10.320 -2.648 78 HA ASP 11 HA ASP 11 11.427 -9.064 -4.037 79 1HB ASP 11 HB2 ASP 11 9.311 -11.097 -3.352 80 2HB ASP 11 HB1 ASP 11 9.158 -9.902 -4.638 81 H VAL 12 HN VAL 12 9.236 -7.801 -4.182 82 HA VAL 12 HA VAL 12 8.727 -6.702 -1.506 83 HB VAL 12 HB VAL 12 8.538 -5.020 -3.892 84 1HG1 VAL 12 HG11 VAL 12 9.196 -4.437 -1.029 85 2HG1 VAL 12 HG12 VAL 12 7.663 -4.136 -1.848 86 3HG1 VAL 12 HG13 VAL 12 9.103 -3.230 -2.313 87 1HG2 VAL 12 HG21 VAL 12 11.102 -5.718 -2.520 88 2HG2 VAL 12 HG22 VAL 12 10.902 -4.256 -3.480 89 3HG2 VAL 12 HG23 VAL 12 10.720 -5.839 -4.236 90 H HIS 13 HN HIS 13 6.753 -7.621 -1.122 91 HA HIS 13 HA HIS 13 4.638 -6.855 -3.027 92 1HB HIS 13 HB2 HIS 13 4.597 -9.006 -0.890 93 2HB HIS 13 HB1 HIS 13 3.253 -8.602 -1.951 94 HD1 HIS 13 HD1 HIS 13 5.877 -10.971 -1.642 95 HD2 HIS 13 HD2 HIS 13 4.151 -8.936 -4.836 96 HE1 HIS 13 HE1 HIS 13 6.493 -12.283 -3.702 97 HE2 HIS 13 HE2 HIS 13 5.568 -10.950 -5.631 98 H VAL 14 HN VAL 14 3.915 -4.950 -2.430 99 HA VAL 14 HA VAL 14 3.622 -4.421 0.448 100 HB VAL 14 HB VAL 14 3.820 -1.939 -0.319 101 1HG1 VAL 14 HG11 VAL 14 6.258 -2.046 -0.039 102 2HG1 VAL 14 HG12 VAL 14 6.203 -3.791 -0.285 103 3HG1 VAL 14 HG13 VAL 14 5.423 -3.075 1.123 104 1HG2 VAL 14 HG21 VAL 14 5.257 -1.600 -2.254 105 2HG2 VAL 14 HG22 VAL 14 3.759 -2.401 -2.727 106 3HG2 VAL 14 HG23 VAL 14 5.250 -3.333 -2.579 107 H VAL 15 HN VAL 15 1.615 -4.461 1.033 108 HA VAL 15 HA VAL 15 -0.539 -3.859 -0.782 109 HB VAL 15 HB VAL 15 -0.802 -5.640 0.902 110 1HG1 VAL 15 HG11 VAL 15 0.514 -4.791 2.713 111 2HG1 VAL 15 HG12 VAL 15 -1.144 -4.988 3.289 112 3HG1 VAL 15 HG13 VAL 15 -0.535 -3.380 2.881 113 1HG2 VAL 15 HG21 VAL 15 -2.795 -4.534 0.060 114 2HG2 VAL 15 HG22 VAL 15 -2.667 -3.307 1.319 115 3HG2 VAL 15 HG23 VAL 15 -3.008 -4.982 1.753 116 H LEU 16 HN LEU 16 -1.463 -2.009 -1.085 117 HA LEU 16 HA LEU 16 -1.066 0.079 0.939 118 1HB LEU 16 HB2 LEU 16 0.111 0.426 -1.276 119 2HB LEU 16 HB1 LEU 16 -1.477 0.547 -2.011 120 HG LEU 16 HG LEU 16 -0.834 2.295 0.299 121 1HD1 LEU 16 HD11 LEU 16 0.087 3.988 -1.228 122 2HD1 LEU 16 HD12 LEU 16 0.076 2.796 -2.528 123 3HD1 LEU 16 HD13 LEU 16 1.111 2.557 -1.119 124 1HD2 LEU 16 HD21 LEU 16 -2.323 3.838 -0.873 125 2HD2 LEU 16 HD22 LEU 16 -3.096 2.272 -0.630 126 3HD2 LEU 16 HD23 LEU 16 -2.453 2.701 -2.215 127 H LYS 17 HN LYS 17 -2.854 0.487 1.958 128 HA LYS 17 HA LYS 17 -5.392 -0.131 0.630 129 1HB LYS 17 HB2 LYS 17 -4.838 0.166 3.596 130 2HB LYS 17 HB1 LYS 17 -6.337 -0.377 2.856 131 1HG LYS 17 HG2 LYS 17 -5.302 -2.383 2.067 132 2HG LYS 17 HG1 LYS 17 -3.708 -1.808 2.561 133 1HD LYS 17 HD2 LYS 17 -4.441 -1.819 4.899 134 2HD LYS 17 HD1 LYS 17 -6.021 -2.402 4.388 135 1HE LYS 17 HE2 LYS 17 -3.457 -3.866 3.817 136 2HE LYS 17 HE1 LYS 17 -4.409 -4.146 5.269 137 1HZ LYS 17 HZ1 LYS 17 -5.383 -4.533 2.479 138 2HZ LYS 17 HZ2 LYS 17 -6.243 -4.865 3.899 139 3HZ LYS 17 HZ3 LYS 17 -4.868 -5.768 3.525 140 H LEU 18 HN LEU 18 -7.012 1.363 0.515 141 HA LEU 18 HA LEU 18 -6.159 4.147 0.858 142 1HB LEU 18 HB2 LEU 18 -6.921 4.148 -1.272 143 2HB LEU 18 HB1 LEU 18 -7.770 2.631 -1.055 144 HG LEU 18 HG LEU 18 -9.653 3.950 -0.006 145 1HD1 LEU 18 HD11 LEU 18 -8.481 6.010 0.537 146 2HD1 LEU 18 HD12 LEU 18 -9.817 6.319 -0.572 147 3HD1 LEU 18 HD13 LEU 18 -8.159 6.289 -1.174 148 1HD2 LEU 18 HD21 LEU 18 -8.908 4.508 -2.867 149 2HD2 LEU 18 HD22 LEU 18 -10.524 4.671 -2.175 150 3HD2 LEU 18 HD23 LEU 18 -9.758 3.085 -2.260 151 H TRP 19 HN TRP 19 -7.070 5.415 2.302 152 HA TRP 19 HA TRP 19 -9.286 4.313 3.894 153 1HB TRP 19 HB2 TRP 19 -7.128 6.176 4.886 154 2HB TRP 19 HB1 TRP 19 -8.303 5.291 5.846 155 HD1 TRP 19 HD1 TRP 19 -4.855 5.151 4.603 156 HE1 TRP 19 HE1 TRP 19 -3.786 2.913 5.235 157 HE3 TRP 19 HE3 TRP 19 -9.069 2.544 5.854 158 HZ2 TRP 19 HZ2 TRP 19 -4.590 0.414 6.130 159 HZ3 TRP 19 HZ3 TRP 19 -8.828 0.199 6.550 160 HH2 TRP 19 HH2 TRP 19 -6.630 -0.856 6.676 161 H LYS 20 HN LYS 20 -10.041 6.333 5.384 162 HA LYS 20 HA LYS 20 -11.204 8.179 3.548 163 1HB LYS 20 HB2 LYS 20 -11.938 9.226 5.872 164 2HB LYS 20 HB1 LYS 20 -12.723 7.813 5.195 165 1HG LYS 20 HG2 LYS 20 -12.346 7.382 7.498 166 2HG LYS 20 HG1 LYS 20 -11.217 6.390 6.584 167 1HD LYS 20 HD2 LYS 20 -9.852 7.193 8.249 168 2HD LYS 20 HD1 LYS 20 -9.586 8.406 6.995 169 1HE LYS 20 HE2 LYS 20 -10.787 10.015 8.110 170 2HE LYS 20 HE1 LYS 20 -11.773 8.837 8.976 171 1HZ LYS 20 HZ1 LYS 20 -9.923 8.307 10.386 172 2HZ LYS 20 HZ2 LYS 20 -10.154 9.990 10.413 173 3HZ LYS 20 HZ3 LYS 20 -8.885 9.325 9.509 174 H SER 21 HN SER 21 -8.445 8.198 5.589 175 HA SER 21 HA SER 21 -8.192 11.100 5.248 176 1HB SER 21 HB2 SER 21 -8.178 10.256 7.586 177 2HB SER 21 HB1 SER 21 -6.743 9.306 7.205 178 HG SER 21 HG SER 21 -6.686 11.653 8.141 179 H GLY 22 HN GLY 22 -6.461 8.022 4.896 180 1HA GLY 22 HA2 GLY 22 -4.797 9.192 2.849 181 2HA GLY 22 HA1 GLY 22 -3.940 8.785 4.326 182 H PHE 23 HN PHE 23 -2.678 7.204 3.517 183 HA PHE 23 HA PHE 23 -4.026 4.723 2.735 184 1HB PHE 23 HB2 PHE 23 -2.398 4.410 0.888 185 2HB PHE 23 HB1 PHE 23 -3.444 5.802 0.638 186 HD1 PHE 23 HD1 PHE 23 -0.049 4.705 1.491 187 HD2 PHE 23 HD2 PHE 23 -2.552 8.026 0.595 188 HE1 PHE 23 HE1 PHE 23 1.932 6.130 1.235 189 HE2 PHE 23 HE2 PHE 23 -0.577 9.455 0.342 190 HZ PHE 23 HZ PHE 23 1.671 8.511 0.661 191 H SER 24 HN SER 24 -2.944 2.861 3.298 192 HA SER 24 HA SER 24 -0.470 3.231 4.875 193 1HB SER 24 HB2 SER 24 -2.383 2.612 6.314 194 2HB SER 24 HB1 SER 24 -2.685 1.197 5.308 195 HG SER 24 HG SER 24 -0.137 1.505 6.437 196 H LEU 25 HN LEU 25 1.204 1.986 4.406 197 HA LEU 25 HA LEU 25 0.869 0.062 2.205 198 1HB LEU 25 HB2 LEU 25 3.568 1.116 2.892 199 2HB LEU 25 HB1 LEU 25 2.916 0.656 1.337 200 HG LEU 25 HG LEU 25 1.511 2.840 1.595 201 1HD1 LEU 25 HD11 LEU 25 2.875 4.613 2.735 202 2HD1 LEU 25 HD12 LEU 25 3.762 3.308 3.520 203 3HD1 LEU 25 HD13 LEU 25 2.032 3.494 3.802 204 1HD2 LEU 25 HD21 LEU 25 4.445 2.874 0.932 205 2HD2 LEU 25 HD22 LEU 25 3.279 4.110 0.468 206 3HD2 LEU 25 HD23 LEU 25 3.127 2.469 -0.165 207 H ASP 26 HN ASP 26 2.715 -1.669 2.314 208 HA ASP 26 HA ASP 26 2.371 -3.169 4.640 209 1HB ASP 26 HB2 ASP 26 3.133 -4.076 2.441 210 2HB ASP 26 HB1 ASP 26 4.712 -3.353 2.729 211 H ASN 27 HN ASN 27 4.597 -0.629 3.928 212 HA ASN 27 HA ASN 27 6.494 -1.348 5.971 213 1HB ASN 27 HB2 ASN 27 7.698 0.687 5.281 214 2HB ASN 27 HB1 ASN 27 7.266 -0.283 3.872 215 1HD2 ASN 27 HD21 ASN 27 5.721 0.511 2.427 216 2HD2 ASN 27 HD22 ASN 27 5.120 2.141 2.480 217 H GLY 28 HN GLY 28 3.803 0.894 5.690 218 1HA GLY 28 HA2 GLY 28 4.419 1.810 8.414 219 2HA GLY 28 HA1 GLY 28 4.135 2.988 7.145 220 H GLU 29 HN GLU 29 2.471 3.818 8.426 221 HA GLU 29 HA GLU 29 0.073 2.125 8.630 222 1HB GLU 29 HB2 GLU 29 0.859 4.576 10.226 223 2HB GLU 29 HB1 GLU 29 -0.629 3.658 10.437 224 1HG GLU 29 HG2 GLU 29 0.623 1.709 11.120 225 2HG GLU 29 HG1 GLU 29 2.143 2.542 10.805 226 H LEU 30 HN LEU 30 -1.866 3.988 8.961 227 HA LEU 30 HA LEU 30 -2.404 4.914 6.377 228 1HB LEU 30 HB2 LEU 30 -4.072 4.339 8.117 229 2HB LEU 30 HB1 LEU 30 -3.618 5.753 9.023 230 HG LEU 30 HG LEU 30 -5.015 5.717 6.342 231 1HD1 LEU 30 HD11 LEU 30 -6.840 6.792 7.662 232 2HD1 LEU 30 HD12 LEU 30 -5.953 6.351 9.120 233 3HD1 LEU 30 HD13 LEU 30 -6.543 5.094 8.029 234 1HD2 LEU 30 HD21 LEU 30 -3.546 7.645 6.562 235 2HD2 LEU 30 HD22 LEU 30 -4.348 8.059 8.078 236 3HD2 LEU 30 HD23 LEU 30 -5.250 8.083 6.563 237 H ARG 31 HN ARG 31 -1.064 6.314 5.463 238 HA ARG 31 HA ARG 31 -0.357 8.778 6.877 239 1HB ARG 31 HB2 ARG 31 0.678 7.465 4.364 240 2HB ARG 31 HB1 ARG 31 1.076 9.129 4.774 241 1HG ARG 31 HG2 ARG 31 2.002 8.298 6.933 242 2HG ARG 31 HG1 ARG 31 1.733 6.655 6.348 243 1HD ARG 31 HD2 ARG 31 3.389 6.818 4.735 244 2HD ARG 31 HD1 ARG 31 3.322 8.586 4.688 245 HE ARG 31 HE ARG 31 4.263 8.320 7.098 246 1HH1 ARG 31 HH11 ARG 31 5.103 6.289 4.361 247 2HH1 ARG 31 HH12 ARG 31 6.722 5.976 4.914 248 1HH2 ARG 31 HH21 ARG 31 6.398 7.931 7.817 249 2HH2 ARG 31 HH22 ARG 31 7.453 6.911 6.883 250 H SER 32 HN SER 32 -1.597 10.498 6.581 251 HA SER 32 HA SER 32 -3.943 10.365 5.032 252 1HB SER 32 HB2 SER 32 -2.936 13.001 5.995 253 2HB SER 32 HB1 SER 32 -4.554 12.293 6.102 254 HG SER 32 HG SER 32 -4.006 11.220 7.880 255 H TYR 33 HN TYR 33 -4.652 11.586 3.269 256 HA TYR 33 HA TYR 33 -2.696 11.949 1.200 257 1HB TYR 33 HB2 TYR 33 -5.650 12.627 1.216 258 2HB TYR 33 HB1 TYR 33 -4.621 12.560 -0.207 259 HD1 TYR 33 HD1 TYR 33 -7.122 10.869 1.376 260 HD2 TYR 33 HD2 TYR 33 -3.244 10.152 -0.219 261 HE1 TYR 33 HE1 TYR 33 -7.700 8.490 1.082 262 HE2 TYR 33 HE2 TYR 33 -3.797 7.780 -0.519 263 HH TYR 33 HH TYR 33 -5.349 6.134 0.451 264 H GLN 34 HN GLN 34 -1.896 13.678 3.085 265 HA GLN 34 HA GLN 34 -2.559 16.319 2.015 266 1HB GLN 34 HB2 GLN 34 -2.690 15.602 4.955 267 2HB GLN 34 HB1 GLN 34 -2.804 17.235 4.310 268 1HG GLN 34 HG2 GLN 34 -4.870 16.793 3.275 269 2HG GLN 34 HG1 GLN 34 -4.703 15.056 3.510 270 1HE2 GLN 34 HE21 GLN 34 -3.919 17.385 5.988 271 2HE2 GLN 34 HE22 GLN 34 -5.246 17.001 7.032 272 H ASP 35 HN ASP 35 -0.653 14.632 4.492 273 HA ASP 35 HA ASP 35 1.440 16.431 4.753 274 1HB ASP 35 HB2 ASP 35 0.981 14.433 6.192 275 2HB ASP 35 HB1 ASP 35 1.654 13.421 4.923 276 HA PRO 36 HA PRO 36 3.508 16.467 0.865 277 1HB PRO 36 HB2 PRO 36 5.928 17.035 2.487 278 2HB PRO 36 HB1 PRO 36 5.209 17.965 1.169 279 1HG PRO 36 HG2 PRO 36 4.980 18.777 3.692 280 2HG PRO 36 HG1 PRO 36 3.634 18.955 2.549 281 1HD PRO 36 HD2 PRO 36 4.023 16.939 4.725 282 2HD PRO 36 HD1 PRO 36 2.544 17.778 4.215 283 H SER 37 HN SER 37 4.636 14.436 3.491 284 HA SER 37 HA SER 37 6.666 13.120 1.928 285 1HB SER 37 HB2 SER 37 5.337 12.165 4.470 286 2HB SER 37 HB1 SER 37 6.909 11.668 3.838 287 HG SER 37 HG SER 37 6.196 13.918 5.269 288 H ASN 38 HN ASN 38 3.306 12.784 2.585 289 HA ASN 38 HA ASN 38 3.093 10.115 1.488 290 1HB ASN 38 HB2 ASN 38 0.845 12.024 2.153 291 2HB ASN 38 HB1 ASN 38 0.767 10.267 2.030 292 1HD2 ASN 38 HD21 ASN 38 -0.055 11.814 4.250 293 2HD2 ASN 38 HD22 ASN 38 0.935 11.365 5.598 294 H ALA 39 HN ALA 39 2.727 13.408 0.489 295 HA ALA 39 HA ALA 39 1.474 13.106 -1.986 296 1HB ALA 39 HB1 ALA 39 3.747 14.972 -1.315 297 2HB ALA 39 HB2 ALA 39 2.044 15.279 -0.968 298 3HB ALA 39 HB3 ALA 39 2.596 15.154 -2.639 299 H GLN 40 HN GLN 40 4.761 12.463 -0.965 300 HA GLN 40 HA GLN 40 6.102 12.009 -3.314 301 1HB GLN 40 HB2 GLN 40 7.283 11.749 -1.262 302 2HB GLN 40 HB1 GLN 40 6.163 10.519 -0.692 303 1HG GLN 40 HG2 GLN 40 6.974 9.109 -2.641 304 2HG GLN 40 HG1 GLN 40 8.284 10.278 -2.793 305 1HE2 GLN 40 HE21 GLN 40 6.949 7.681 -0.888 306 2HE2 GLN 40 HE22 GLN 40 8.307 7.516 0.171 307 H PHE 41 HN PHE 41 4.237 9.607 -1.484 308 HA PHE 41 HA PHE 41 4.483 7.527 -3.381 309 1HB PHE 41 HB2 PHE 41 2.263 7.951 -1.357 310 2HB PHE 41 HB1 PHE 41 2.706 6.429 -2.121 311 HD1 PHE 41 HD1 PHE 41 4.852 5.345 -1.512 312 HD2 PHE 41 HD2 PHE 41 3.350 8.746 0.555 313 HE1 PHE 41 HE1 PHE 41 6.321 4.847 0.395 314 HE2 PHE 41 HE2 PHE 41 4.821 8.256 2.454 315 HZ PHE 41 HZ PHE 41 6.302 6.303 2.375 316 H LEU 42 HN LEU 42 1.771 9.714 -2.641 317 HA LEU 42 HA LEU 42 -0.106 8.737 -4.362 318 1HB LEU 42 HB2 LEU 42 0.467 11.572 -3.554 319 2HB LEU 42 HB1 LEU 42 -0.933 11.140 -4.516 320 HG LEU 42 HG LEU 42 -0.332 10.107 -1.741 321 1HD1 LEU 42 HD11 LEU 42 -2.365 12.123 -2.693 322 2HD1 LEU 42 HD12 LEU 42 -0.926 12.476 -1.738 323 3HD1 LEU 42 HD13 LEU 42 -2.222 11.495 -1.051 324 1HD2 LEU 42 HD21 LEU 42 -2.746 9.735 -3.514 325 2HD2 LEU 42 HD22 LEU 42 -2.595 9.178 -1.849 326 3HD2 LEU 42 HD23 LEU 42 -1.563 8.495 -3.104 327 H GLU 43 HN GLU 43 2.265 11.268 -5.184 328 HA GLU 43 HA GLU 43 1.435 11.378 -7.903 329 1HB GLU 43 HB2 GLU 43 3.806 12.472 -6.419 330 2HB GLU 43 HB1 GLU 43 3.673 12.620 -8.167 331 1HG GLU 43 HG2 GLU 43 1.636 13.620 -6.196 332 2HG GLU 43 HG1 GLU 43 2.876 14.612 -6.967 333 H SER 44 HN SER 44 4.233 9.923 -6.266 334 HA SER 44 HA SER 44 5.562 8.887 -8.465 335 1HB SER 44 HB2 SER 44 5.345 8.154 -5.578 336 2HB SER 44 HB1 SER 44 6.155 7.019 -6.646 337 HG SER 44 HG SER 44 7.130 9.353 -7.289 338 H ILE 45 HN ILE 45 2.915 7.457 -6.600 339 HA ILE 45 HA ILE 45 2.996 4.994 -8.072 340 HB ILE 45 HB ILE 45 0.902 6.044 -6.155 341 1HG1 ILE 45 HG12 ILE 45 3.167 4.081 -5.705 342 2HG1 ILE 45 HG11 ILE 45 3.200 5.770 -5.210 343 1HG2 ILE 45 HG21 ILE 45 -0.027 4.317 -7.574 344 2HG2 ILE 45 HG22 ILE 45 0.233 3.685 -5.947 345 3HG2 ILE 45 HG23 ILE 45 1.354 3.272 -7.243 346 1HD1 ILE 45 HD11 ILE 45 1.277 3.680 -4.211 347 2HD1 ILE 45 HD12 ILE 45 1.327 5.368 -3.705 348 3HD1 ILE 45 HD13 ILE 45 2.683 4.300 -3.344 349 H ARG 46 HN ARG 46 1.165 7.990 -8.276 350 HA ARG 46 HA ARG 46 -0.649 7.190 -10.292 351 1HB ARG 46 HB2 ARG 46 0.566 9.863 -9.601 352 2HB ARG 46 HB1 ARG 46 -0.581 9.669 -10.918 353 1HG ARG 46 HG2 ARG 46 -2.301 8.988 -9.419 354 2HG ARG 46 HG1 ARG 46 -1.163 8.898 -8.071 355 1HD ARG 46 HD2 ARG 46 -0.812 11.297 -8.162 356 2HD ARG 46 HD1 ARG 46 -1.855 11.419 -9.582 357 HE ARG 46 HE ARG 46 -3.561 10.364 -7.872 358 1HH1 ARG 46 HH11 ARG 46 -1.222 12.943 -7.309 359 2HH1 ARG 46 HH12 ARG 46 -2.206 13.707 -6.085 360 1HH2 ARG 46 HH21 ARG 46 -4.826 11.390 -6.300 361 2HH2 ARG 46 HH22 ARG 46 -4.260 12.844 -5.538 362 H ARG 47 HN ARG 47 2.581 8.625 -10.421 363 HA ARG 47 HA ARG 47 2.787 8.772 -13.229 364 1HB ARG 47 HB2 ARG 47 5.003 8.551 -11.203 365 2HB ARG 47 HB1 ARG 47 5.175 9.134 -12.844 366 1HG ARG 47 HG2 ARG 47 3.713 10.435 -10.568 367 2HG ARG 47 HG1 ARG 47 5.141 11.024 -11.420 368 1HD ARG 47 HD2 ARG 47 3.911 11.531 -13.353 369 2HD ARG 47 HD1 ARG 47 2.532 10.564 -12.825 370 HE ARG 47 HE ARG 47 3.056 12.695 -11.014 371 1HH1 ARG 47 HH11 ARG 47 1.653 11.966 -14.133 372 2HH1 ARG 47 HH12 ARG 47 0.539 13.300 -14.091 373 1HH2 ARG 47 HH21 ARG 47 1.576 14.423 -10.918 374 2HH2 ARG 47 HH22 ARG 47 0.490 14.694 -12.261 375 H GLY 48 HN GLY 48 3.479 6.247 -10.931 376 1HA GLY 48 HA2 GLY 48 3.427 3.943 -11.624 377 2HA GLY 48 HA1 GLY 48 4.085 4.442 -13.179 378 H GLU 49 HN GLU 49 5.503 6.062 -10.598 379 HA GLU 49 HA GLU 49 7.971 4.584 -11.008 380 1HB GLU 49 HB2 GLU 49 7.426 7.165 -9.553 381 2HB GLU 49 HB1 GLU 49 9.015 6.435 -9.759 382 1HG GLU 49 HG2 GLU 49 8.707 6.613 -12.219 383 2HG GLU 49 HG1 GLU 49 7.208 7.489 -11.923 384 H VAL 50 HN VAL 50 9.365 4.235 -9.083 385 HA VAL 50 HA VAL 50 7.740 2.834 -7.120 386 HB VAL 50 HB VAL 50 9.407 1.536 -8.318 387 1HG1 VAL 50 HG11 VAL 50 11.456 3.344 -7.055 388 2HG1 VAL 50 HG12 VAL 50 11.056 3.249 -8.771 389 3HG1 VAL 50 HG13 VAL 50 11.805 1.872 -7.961 390 1HG2 VAL 50 HG21 VAL 50 10.551 0.520 -6.377 391 2HG2 VAL 50 HG22 VAL 50 8.835 0.812 -6.088 392 3HG2 VAL 50 HG23 VAL 50 10.042 1.893 -5.393 393 HA PRO 51 HA PRO 51 8.781 5.935 -4.020 394 1HB PRO 51 HB2 PRO 51 7.209 4.183 -2.271 395 2HB PRO 51 HB1 PRO 51 6.909 5.861 -2.726 396 1HG PRO 51 HG2 PRO 51 5.383 3.830 -3.594 397 2HG PRO 51 HG1 PRO 51 5.688 5.281 -4.566 398 1HD PRO 51 HD2 PRO 51 6.931 2.561 -4.770 399 2HD PRO 51 HD1 PRO 51 6.412 3.659 -6.066 400 H ALA 52 HN ALA 52 10.380 5.961 -2.533 401 HA ALA 52 HA ALA 52 12.166 3.797 -2.404 402 1HB ALA 52 HB1 ALA 52 13.484 5.183 -0.922 403 2HB ALA 52 HB2 ALA 52 12.106 6.251 -0.651 404 3HB ALA 52 HB3 ALA 52 12.850 6.155 -2.249 405 H GLU 53 HN GLU 53 9.504 4.672 -0.389 406 HA GLU 53 HA GLU 53 10.281 3.375 1.994 407 1HB GLU 53 HB2 GLU 53 7.571 4.007 0.840 408 2HB GLU 53 HB1 GLU 53 7.800 3.364 2.462 409 1HG GLU 53 HG2 GLU 53 9.096 5.902 1.503 410 2HG GLU 53 HG1 GLU 53 7.501 5.858 2.251 411 H LEU 54 HN LEU 54 8.986 2.208 -1.004 412 HA LEU 54 HA LEU 54 8.396 -0.422 0.112 413 1HB LEU 54 HB2 LEU 54 8.349 0.211 -2.817 414 2HB LEU 54 HB1 LEU 54 7.382 -0.940 -1.916 415 HG LEU 54 HG LEU 54 7.065 2.048 -1.791 416 1HD1 LEU 54 HD11 LEU 54 5.404 -0.071 -3.142 417 2HD1 LEU 54 HD12 LEU 54 6.429 1.112 -3.949 418 3HD1 LEU 54 HD13 LEU 54 5.011 1.647 -3.046 419 1HD2 LEU 54 HD21 LEU 54 5.497 -0.219 -0.579 420 2HD2 LEU 54 HD22 LEU 54 4.967 1.464 -0.606 421 3HD2 LEU 54 HD23 LEU 54 6.419 1.009 0.286 422 H ARG 55 HN ARG 55 10.467 1.145 -2.226 423 HA ARG 55 HA ARG 55 11.874 -1.174 -3.024 424 1HB ARG 55 HB2 ARG 55 11.542 1.085 -4.229 425 2HB ARG 55 HB1 ARG 55 12.895 1.647 -3.266 426 1HG ARG 55 HG2 ARG 55 13.027 -0.715 -5.119 427 2HG ARG 55 HG1 ARG 55 13.458 0.929 -5.582 428 1HD ARG 55 HD2 ARG 55 15.042 0.838 -3.546 429 2HD ARG 55 HD1 ARG 55 14.810 -0.912 -3.647 430 HE ARG 55 HE ARG 55 15.553 0.385 -6.133 431 1HH1 ARG 55 HH11 ARG 55 16.699 -1.315 -3.292 432 2HH1 ARG 55 HH12 ARG 55 18.263 -1.650 -3.971 433 1HH2 ARG 55 HH21 ARG 55 17.611 -0.033 -7.011 434 2HH2 ARG 55 HH22 ARG 55 18.784 -0.915 -6.079 435 H ARG 56 HN ARG 56 12.975 1.598 -1.035 436 HA ARG 56 HA ARG 56 15.167 0.006 -0.057 437 1HB ARG 56 HB2 ARG 56 14.316 2.826 0.591 438 2HB ARG 56 HB1 ARG 56 15.742 2.041 1.258 439 1HG ARG 56 HG2 ARG 56 15.208 2.615 -1.642 440 2HG ARG 56 HG1 ARG 56 16.352 3.467 -0.598 441 1HD ARG 56 HD2 ARG 56 16.480 0.593 -1.511 442 2HD ARG 56 HD1 ARG 56 17.574 1.901 -1.952 443 HE ARG 56 HE ARG 56 17.621 1.598 0.839 444 1HH1 ARG 56 HH11 ARG 56 18.684 -0.060 -2.067 445 2HH1 ARG 56 HH12 ARG 56 19.947 -0.946 -1.265 446 1HH2 ARG 56 HH21 ARG 56 19.271 0.413 1.905 447 2HH2 ARG 56 HH22 ARG 56 20.269 -0.673 0.986 448 H LEU 57 HN LEU 57 12.557 -0.945 0.519 449 HA LEU 57 HA LEU 57 12.862 -1.072 3.453 450 1HB LEU 57 HB2 LEU 57 10.595 -0.318 2.376 451 2HB LEU 57 HB1 LEU 57 10.422 -2.010 1.961 452 HG LEU 57 HG LEU 57 9.202 -1.334 4.029 453 1HD1 LEU 57 HD11 LEU 57 9.777 -3.663 3.704 454 2HD1 LEU 57 HD12 LEU 57 9.940 -3.232 5.406 455 3HD1 LEU 57 HD13 LEU 57 11.376 -3.389 4.396 456 1HD2 LEU 57 HD21 LEU 57 10.523 -0.992 6.087 457 2HD2 LEU 57 HD22 LEU 57 10.745 0.299 4.905 458 3HD2 LEU 57 HD23 LEU 57 11.988 -0.934 5.106 459 H ALA 58 HN ALA 58 11.779 -2.885 0.624 460 HA ALA 58 HA ALA 58 13.101 -5.330 1.470 461 1HB ALA 58 HB1 ALA 58 11.045 -5.488 0.196 462 2HB ALA 58 HB2 ALA 58 12.386 -6.153 -0.738 463 3HB ALA 58 HB3 ALA 58 11.764 -4.542 -1.110 464 H HIS 59 HN HIS 59 14.422 -6.309 -0.458 465 HA HIS 59 HA HIS 59 16.748 -4.860 -0.841 466 1HB HIS 59 HB2 HIS 59 16.304 -7.406 -1.158 467 2HB HIS 59 HB1 HIS 59 15.916 -6.947 -2.821 468 HD1 HIS 59 HD1 HIS 59 17.994 -7.708 -4.058 469 HD2 HIS 59 HD2 HIS 59 18.754 -5.449 -0.667 470 HE1 HIS 59 HE1 HIS 59 20.461 -7.210 -4.132 471 HE2 HIS 59 HE2 HIS 59 20.825 -5.562 -2.248 472 H GLY 60 HN GLY 60 13.744 -4.755 -2.519 473 1HA GLY 60 HA2 GLY 60 13.081 -3.040 -3.967 474 2HA GLY 60 HA1 GLY 60 14.772 -2.602 -4.180 475 H GLY 61 HN GLY 61 13.734 -5.896 -4.510 476 1HA GLY 61 HA2 GLY 61 14.555 -5.956 -7.277 477 2HA GLY 61 HA1 GLY 61 13.982 -7.311 -6.329 478 H GLN 62 HN GLN 62 11.984 -7.966 -6.563 479 HA GLN 62 HA GLN 62 10.288 -6.841 -8.573 480 1HB GLN 62 HB2 GLN 62 10.376 -9.216 -8.251 481 2HB GLN 62 HB1 GLN 62 10.002 -9.044 -6.548 482 1HG GLN 62 HG2 GLN 62 7.769 -8.101 -7.261 483 2HG GLN 62 HG1 GLN 62 8.183 -8.591 -8.901 484 1HE2 GLN 62 HE21 GLN 62 9.585 -10.994 -7.922 485 2HE2 GLN 62 HE22 GLN 62 8.344 -12.113 -7.481 486 H VAL 63 HN VAL 63 9.836 -4.687 -7.747 487 HA VAL 63 HA VAL 63 8.455 -4.551 -5.181 488 HB VAL 63 HB VAL 63 9.038 -2.275 -7.085 489 1HG1 VAL 63 HG11 VAL 63 8.656 -0.856 -5.128 490 2HG1 VAL 63 HG12 VAL 63 8.288 -2.286 -4.160 491 3HG1 VAL 63 HG13 VAL 63 7.232 -1.831 -5.500 492 1HG2 VAL 63 HG21 VAL 63 10.608 -3.149 -4.658 493 2HG2 VAL 63 HG22 VAL 63 10.937 -1.735 -5.661 494 3HG2 VAL 63 HG23 VAL 63 11.116 -3.355 -6.337 495 H ASN 64 HN ASN 64 6.468 -5.312 -5.316 496 HA ASN 64 HA ASN 64 4.700 -4.252 -7.415 497 1HB ASN 64 HB2 ASN 64 5.239 -6.720 -7.535 498 2HB ASN 64 HB1 ASN 64 4.418 -6.900 -5.990 499 1HD2 ASN 64 HD21 ASN 64 2.184 -6.595 -5.875 500 2HD2 ASN 64 HD22 ASN 64 1.181 -6.638 -7.292 501 H LEU 65 HN LEU 65 3.125 -2.989 -6.652 502 HA LEU 65 HA LEU 65 2.283 -3.402 -3.858 503 1HB LEU 65 HB2 LEU 65 1.939 -1.123 -3.580 504 2HB LEU 65 HB1 LEU 65 3.402 -1.181 -4.530 505 HG LEU 65 HG LEU 65 0.898 -1.000 -6.062 506 1HD1 LEU 65 HD11 LEU 65 1.935 1.319 -4.423 507 2HD1 LEU 65 HD12 LEU 65 0.403 0.486 -4.173 508 3HD1 LEU 65 HD13 LEU 65 0.673 1.404 -5.651 509 1HD2 LEU 65 HD21 LEU 65 2.284 0.579 -7.339 510 2HD2 LEU 65 HD22 LEU 65 3.098 -0.970 -7.104 511 3HD2 LEU 65 HD23 LEU 65 3.552 0.425 -6.124 512 H ASP 66 HN ASP 66 0.088 -3.304 -3.381 513 HA ASP 66 HA ASP 66 -1.707 -3.182 -5.713 514 1HB ASP 66 HB2 ASP 66 -1.847 -5.065 -3.349 515 2HB ASP 66 HB1 ASP 66 -3.218 -4.775 -4.413 516 H MET 67 HN MET 67 -3.395 -1.826 -5.527 517 HA MET 67 HA MET 67 -3.625 -0.368 -2.993 518 1HB MET 67 HB2 MET 67 -4.453 0.395 -5.795 519 2HB MET 67 HB1 MET 67 -4.799 1.362 -4.368 520 1HG MET 67 HG2 MET 67 -2.392 1.578 -3.948 521 2HG MET 67 HG1 MET 67 -2.068 0.644 -5.406 522 1HE MET 67 HE1 MET 67 -3.489 4.001 -3.946 523 2HE MET 67 HE2 MET 67 -4.872 3.355 -4.828 524 3HE MET 67 HE3 MET 67 -4.061 4.808 -5.405 525 H GLU 68 HN GLU 68 -5.296 -0.717 -1.741 526 HA GLU 68 HA GLU 68 -7.720 -1.955 -2.868 527 1HB GLU 68 HB2 GLU 68 -6.690 -1.879 -0.035 528 2HB GLU 68 HB1 GLU 68 -8.235 -2.559 -0.512 529 1HG GLU 68 HG2 GLU 68 -6.946 -4.149 -1.975 530 2HG GLU 68 HG1 GLU 68 -5.488 -3.564 -1.163 531 H ASP 69 HN ASP 69 -9.746 -1.340 -1.838 532 HA ASP 69 HA ASP 69 -9.794 1.487 -0.978 533 1HB ASP 69 HB2 ASP 69 -10.882 1.137 -3.143 534 2HB ASP 69 HB1 ASP 69 -11.862 -0.159 -2.474 535 H HIS 70 HN HIS 70 -10.128 1.585 1.164 536 HA HIS 70 HA HIS 70 -12.030 -0.327 2.371 537 1HB HIS 70 HB2 HIS 70 -9.514 0.813 3.613 538 2HB HIS 70 HB1 HIS 70 -10.729 -0.099 4.508 539 HD1 HIS 70 HD1 HIS 70 -10.660 -2.628 4.332 540 HD2 HIS 70 HD2 HIS 70 -7.972 -0.732 1.777 541 HE1 HIS 70 HE1 HIS 70 -9.183 -4.449 3.419 542 HE2 HIS 70 HE2 HIS 70 -7.657 -3.310 1.769 543 H ARG 71 HN ARG 71 -10.400 2.735 3.111 544 HA ARG 71 HA ARG 71 -11.118 4.794 3.650 545 1HB ARG 71 HB2 ARG 71 -13.654 3.899 2.286 546 2HB ARG 71 HB1 ARG 71 -13.212 5.566 2.651 547 1HG ARG 71 HG2 ARG 71 -11.282 5.411 1.204 548 2HG ARG 71 HG1 ARG 71 -11.627 3.710 0.888 549 1HD ARG 71 HD2 ARG 71 -12.373 5.039 -0.967 550 2HD ARG 71 HD1 ARG 71 -13.776 4.377 -0.127 551 HE ARG 71 HE ARG 71 -12.877 7.114 0.463 552 1HH1 ARG 71 HH11 ARG 71 -15.310 4.892 -0.713 553 2HH1 ARG 71 HH12 ARG 71 -16.513 6.127 -0.941 554 1HH2 ARG 71 HH21 ARG 71 -14.449 8.755 0.158 555 2HH2 ARG 71 HH22 ARG 71 -16.028 8.325 -0.447 556 H ASP 72 HN ASP 72 -14.239 3.084 4.111 557 HA ASP 72 HA ASP 72 -14.720 4.595 6.493 558 1HB ASP 72 HB2 ASP 72 -16.798 3.333 6.689 559 2HB ASP 72 HB1 ASP 72 -16.572 3.900 5.040 560 H GLU 73 HN GLU 73 -12.819 1.950 5.945 561 HA GLU 73 HA GLU 73 -13.131 0.744 8.542 562 1HB GLU 73 HB2 GLU 73 -11.374 0.308 6.168 563 2HB GLU 73 HB1 GLU 73 -10.853 -0.328 7.713 564 1HG GLU 73 HG2 GLU 73 -13.256 -1.345 7.780 565 2HG GLU 73 HG1 GLU 73 -13.194 -1.082 6.036 566 H ASP 74 HN ASP 74 -12.059 3.631 7.702 567 HA ASP 74 HA ASP 74 -10.681 5.206 8.538 568 1HB ASP 74 HB2 ASP 74 -11.806 4.673 10.648 569 2HB ASP 74 HB1 ASP 74 -10.577 3.456 10.985 570 H PHE 75 HN PHE 75 -8.904 3.147 10.524 571 HA PHE 75 HA PHE 75 -6.907 2.594 8.457 572 1HB PHE 75 HB2 PHE 75 -5.925 4.431 9.596 573 2HB PHE 75 HB1 PHE 75 -6.410 3.810 11.167 574 HD1 PHE 75 HD1 PHE 75 -4.521 2.467 8.234 575 HD2 PHE 75 HD2 PHE 75 -4.643 3.116 12.437 576 HE1 PHE 75 HE1 PHE 75 -2.333 1.368 8.457 577 HE2 PHE 75 HE2 PHE 75 -2.457 2.016 12.671 578 HZ PHE 75 HZ PHE 75 -1.304 1.142 10.684 579 H VAL 76 HN VAL 76 -6.164 0.550 8.476 580 HA VAL 76 HA VAL 76 -5.752 -0.965 10.808 581 HB VAL 76 HB VAL 76 -8.135 -1.160 10.912 582 1HG1 VAL 76 HG11 VAL 76 -8.046 -2.232 8.104 583 2HG1 VAL 76 HG12 VAL 76 -8.761 -0.709 8.632 584 3HG1 VAL 76 HG13 VAL 76 -9.466 -2.241 9.151 585 1HG2 VAL 76 HG21 VAL 76 -8.391 -3.604 10.844 586 2HG2 VAL 76 HG22 VAL 76 -6.872 -3.106 11.591 587 3HG2 VAL 76 HG23 VAL 76 -6.884 -3.717 9.936 588 H LYS 77 HN LYS 77 -3.753 -1.411 9.887 589 HA LYS 77 HA LYS 77 -3.938 -3.707 8.170 590 1HB LYS 77 HB2 LYS 77 -3.439 -1.884 6.614 591 2HB LYS 77 HB1 LYS 77 -1.978 -1.530 7.495 592 1HG LYS 77 HG2 LYS 77 -2.469 -4.221 6.279 593 2HG LYS 77 HG1 LYS 77 -1.783 -2.890 5.354 594 1HD LYS 77 HD2 LYS 77 -0.613 -3.952 7.921 595 2HD LYS 77 HD1 LYS 77 -0.099 -4.459 6.313 596 1HE LYS 77 HE2 LYS 77 0.554 -2.177 5.784 597 2HE LYS 77 HE1 LYS 77 -0.007 -1.635 7.367 598 1HZ LYS 77 HZ1 LYS 77 2.438 -2.018 7.186 599 2HZ LYS 77 HZ2 LYS 77 2.127 -3.672 6.988 600 3HZ LYS 77 HZ3 LYS 77 1.699 -2.890 8.426 601 HA PRO 78 HA PRO 78 0.178 -4.129 10.641 602 1HB PRO 78 HB2 PRO 78 0.184 -1.672 12.288 603 2HB PRO 78 HB1 PRO 78 1.517 -2.428 11.401 604 1HG PRO 78 HG2 PRO 78 0.429 -0.154 10.535 605 2HG PRO 78 HG1 PRO 78 0.907 -1.426 9.378 606 1HD PRO 78 HD2 PRO 78 -1.834 -0.805 10.488 607 2HD PRO 78 HD1 PRO 78 -1.359 -1.117 8.820 608 H LYS 79 HN LYS 79 -2.207 -2.114 12.325 609 HA LYS 79 HA LYS 79 -2.308 -3.580 14.725 610 1HB LYS 79 HB2 LYS 79 -4.500 -2.425 15.064 611 2HB LYS 79 HB1 LYS 79 -3.176 -1.342 14.661 612 1HG LYS 79 HG2 LYS 79 -3.963 -1.204 12.362 613 2HG LYS 79 HG1 LYS 79 -5.266 -2.334 12.730 614 1HD LYS 79 HD2 LYS 79 -4.904 0.329 14.103 615 2HD LYS 79 HD1 LYS 79 -5.952 0.071 12.706 616 1HE LYS 79 HE2 LYS 79 -7.247 -1.565 13.971 617 2HE LYS 79 HE1 LYS 79 -6.185 -1.343 15.362 618 1HZ LYS 79 HZ1 LYS 79 -7.890 0.771 14.151 619 2HZ LYS 79 HZ2 LYS 79 -6.905 0.947 15.520 620 3HZ LYS 79 HZ3 LYS 79 -8.249 -0.086 15.566 621 H GLY 80 HN GLY 80 -3.185 -4.593 11.699 622 1HA GLY 80 HA2 GLY 80 -4.906 -6.686 12.848 623 2HA GLY 80 HA1 GLY 80 -5.384 -5.875 11.359 624 H ALA 81 HN ALA 81 -2.170 -6.824 12.413 625 HA ALA 81 HA ALA 81 -0.536 -8.091 11.511 626 1HB ALA 81 HB1 ALA 81 -2.123 -9.947 11.774 627 2HB ALA 81 HB2 ALA 81 -1.081 -10.152 10.365 628 3HB ALA 81 HB3 ALA 81 -2.751 -9.625 10.156 629 H PHE 82 HN PHE 82 -2.726 -8.382 8.752 630 HA PHE 82 HA PHE 82 -1.395 -6.248 7.337 631 1HB PHE 82 HB2 PHE 82 -0.729 -7.670 5.422 632 2HB PHE 82 HB1 PHE 82 0.145 -8.073 6.893 633 HD1 PHE 82 HD1 PHE 82 -2.173 -9.240 4.364 634 HD2 PHE 82 HD2 PHE 82 -0.376 -10.162 8.111 635 HE1 PHE 82 HE1 PHE 82 -2.842 -11.594 4.100 636 HE2 PHE 82 HE2 PHE 82 -1.042 -12.518 7.856 637 HZ PHE 82 HZ PHE 82 -2.276 -13.236 5.847 638 H LYS 83 HN LYS 83 -4.078 -7.942 8.098 639 HA LYS 83 HA LYS 83 -6.108 -8.433 7.217 640 1HB LYS 83 HB2 LYS 83 -5.559 -5.809 5.834 641 2HB LYS 83 HB1 LYS 83 -7.127 -6.605 5.852 642 1HG LYS 83 HG2 LYS 83 -5.631 -5.783 8.316 643 2HG LYS 83 HG1 LYS 83 -6.853 -4.788 7.512 644 1HD LYS 83 HD2 LYS 83 -7.426 -7.597 8.426 645 2HD LYS 83 HD1 LYS 83 -7.612 -6.214 9.503 646 1HE LYS 83 HE2 LYS 83 -8.954 -6.366 6.816 647 2HE LYS 83 HE1 LYS 83 -9.695 -7.013 8.279 648 1HZ LYS 83 HZ1 LYS 83 -10.428 -4.734 7.766 649 2HZ LYS 83 HZ2 LYS 83 -8.835 -4.192 7.931 650 3HZ LYS 83 HZ3 LYS 83 -9.645 -4.837 9.263 651 H ALA 84 HN ALA 84 -5.630 -10.313 6.053 652 HA ALA 84 HA ALA 84 -4.813 -10.537 3.426 653 1HB ALA 84 HB1 ALA 84 -7.078 -12.053 4.734 654 2HB ALA 84 HB2 ALA 84 -5.369 -12.470 4.835 655 3HB ALA 84 HB3 ALA 84 -6.201 -12.547 3.284 656 H PHE 85 HN PHE 85 -5.739 -10.141 1.454 657 HA PHE 85 HA PHE 85 -7.494 -7.908 1.529 658 1HB PHE 85 HB2 PHE 85 -7.176 -7.944 -0.985 659 2HB PHE 85 HB1 PHE 85 -5.709 -7.804 -0.031 660 HD1 PHE 85 HD1 PHE 85 -4.273 -9.858 0.279 661 HD2 PHE 85 HD2 PHE 85 -7.455 -9.672 -2.540 662 HE1 PHE 85 HE1 PHE 85 -3.305 -11.762 -0.938 663 HE2 PHE 85 HE2 PHE 85 -6.498 -11.583 -3.754 664 HZ PHE 85 HZ PHE 85 -4.421 -12.632 -2.951 665 H THR 86 HN THR 86 -9.186 -9.415 2.530 666 HA THR 86 HA THR 86 -11.221 -9.774 0.489 667 HB THR 86 HB THR 86 -10.670 -11.989 2.485 668 HG1 THR 86 HG1 THR 86 -9.560 -11.461 0.056 669 1HG2 THR 86 HG21 THR 86 -12.284 -13.251 1.103 670 2HG2 THR 86 HG22 THR 86 -12.560 -11.804 0.133 671 3HG2 THR 86 HG23 THR 86 -13.013 -11.822 1.837 672 H GLY 87 HN GLY 87 -11.790 -7.786 1.584 673 1HA GLY 87 HA2 GLY 87 -12.510 -7.867 4.368 674 2HA GLY 87 HA1 GLY 87 -12.720 -6.510 3.268 675 H GLU 88 HN GLU 88 -14.169 -9.253 4.729 676 HA GLU 88 HA GLU 88 -16.556 -9.453 3.315 677 1HB GLU 88 HB2 GLU 88 -17.533 -10.254 5.475 678 2HB GLU 88 HB1 GLU 88 -16.039 -11.061 5.020 679 1HG GLU 88 HG2 GLU 88 -14.835 -9.509 6.580 680 2HG GLU 88 HG1 GLU 88 -16.410 -8.936 7.119 681 H GLY 89 HN GLY 89 -15.622 -7.238 5.914 682 1HA GLY 89 HA2 GLY 89 -18.038 -5.646 5.405 683 2HA GLY 89 HA1 GLY 89 -16.961 -5.466 6.786 684 H GLN 90 HN GLN 90 -16.356 -5.602 3.309 685 HA GLN 90 HA GLN 90 -15.177 -2.911 3.443 686 1HB GLN 90 HB2 GLN 90 -13.366 -4.532 3.465 687 2HB GLN 90 HB1 GLN 90 -14.042 -5.352 2.067 688 1HG GLN 90 HG2 GLN 90 -13.668 -3.222 0.778 689 2HG GLN 90 HG1 GLN 90 -12.763 -2.636 2.175 690 1HE2 GLN 90 HE21 GLN 90 -11.845 -3.177 -0.544 691 2HE2 GLN 90 HE22 GLN 90 -10.584 -4.356 -0.403 692 H LYS 91 HN LYS 91 -15.527 -5.294 0.830 693 HA LYS 91 HA LYS 91 -17.138 -3.319 -0.636 694 1HB LYS 91 HB2 LYS 91 -15.023 -3.927 -1.732 695 2HB LYS 91 HB1 LYS 91 -15.486 -5.623 -1.710 696 1HG LYS 91 HG2 LYS 91 -17.161 -5.300 -3.323 697 2HG LYS 91 HG1 LYS 91 -17.139 -3.549 -3.118 698 1HD LYS 91 HD2 LYS 91 -16.058 -4.241 -5.206 699 2HD LYS 91 HD1 LYS 91 -14.926 -3.440 -4.118 700 1HE LYS 91 HE2 LYS 91 -14.050 -5.619 -3.426 701 2HE LYS 91 HE1 LYS 91 -15.196 -6.422 -4.499 702 1HZ LYS 91 HZ1 LYS 91 -13.154 -4.486 -5.446 703 2HZ LYS 91 HZ2 LYS 91 -14.125 -5.504 -6.396 704 3HZ LYS 91 HZ3 LYS 91 -12.907 -6.162 -5.418 705 H LEU 92 HN LEU 92 -17.260 -6.269 0.963 706 HA LEU 92 HA LEU 92 -18.907 -7.759 1.390 707 1HB LEU 92 HB2 LEU 92 -20.250 -5.646 1.546 708 2HB LEU 92 HB1 LEU 92 -20.721 -5.878 -0.125 709 HG LEU 92 HG LEU 92 -21.792 -8.032 0.514 710 1HD1 LEU 92 HD11 LEU 92 -20.478 -8.516 2.509 711 2HD1 LEU 92 HD12 LEU 92 -22.202 -8.487 2.882 712 3HD1 LEU 92 HD13 LEU 92 -21.181 -7.118 3.324 713 1HD2 LEU 92 HD21 LEU 92 -22.745 -5.569 1.972 714 2HD2 LEU 92 HD22 LEU 92 -23.720 -7.004 1.648 715 3HD2 LEU 92 HD23 LEU 92 -23.126 -6.020 0.309 716 H GLY 93 HN GLY 93 -17.314 -7.898 -1.066 717 1HA GLY 93 HA2 GLY 93 -18.527 -10.156 -2.228 718 2HA GLY 93 HA1 GLY 93 -18.786 -8.766 -3.272 719 H SER 94 HN SER 94 -16.979 -11.338 -3.147 720 HA SER 94 HA SER 94 -14.360 -10.136 -3.487 721 1HB SER 94 HB2 SER 94 -15.185 -13.019 -3.896 722 2HB SER 94 HB1 SER 94 -13.545 -12.402 -3.691 723 HG SER 94 HG SER 94 -15.555 -12.043 -1.736 724 H THR 95 HN THR 95 -17.039 -11.035 -5.413 725 HA THR 95 HA THR 95 -15.408 -10.870 -7.858 726 HB THR 95 HB THR 95 -18.227 -11.934 -7.602 727 HG1 THR 95 HG1 THR 95 -16.828 -13.317 -6.480 728 1HG2 THR 95 HG21 THR 95 -17.770 -12.923 -9.805 729 2HG2 THR 95 HG22 THR 95 -16.185 -12.152 -9.820 730 3HG2 THR 95 HG23 THR 95 -17.644 -11.166 -9.847 731 H ALA 96 HN ALA 96 -15.303 -8.605 -7.796 732 HA ALA 96 HA ALA 96 -17.484 -7.283 -9.100 733 1HB ALA 96 HB1 ALA 96 -16.755 -6.384 -6.309 734 2HB ALA 96 HB2 ALA 96 -18.271 -7.146 -6.780 735 3HB ALA 96 HB3 ALA 96 -17.855 -5.552 -7.408 736 HA PRO 97 HA PRO 97 -13.246 -5.880 -10.215 737 1HB PRO 97 HB2 PRO 97 -13.979 -5.226 -12.785 738 2HB PRO 97 HB1 PRO 97 -13.395 -6.816 -12.286 739 1HG PRO 97 HG2 PRO 97 -16.194 -5.873 -12.729 740 2HG PRO 97 HG1 PRO 97 -15.457 -7.433 -13.138 741 1HD PRO 97 HD2 PRO 97 -17.059 -7.112 -10.992 742 2HD PRO 97 HD1 PRO 97 -15.693 -8.246 -10.991 743 H GLN 98 HN GLN 98 -15.826 -4.187 -11.971 744 HA GLN 98 HA GLN 98 -15.874 -1.850 -10.422 745 1HB GLN 98 HB2 GLN 98 -13.502 -1.739 -11.324 746 2HB GLN 98 HB1 GLN 98 -14.200 -1.572 -12.926 747 1HG GLN 98 HG2 GLN 98 -15.389 0.470 -12.091 748 2HG GLN 98 HG1 GLN 98 -14.431 0.336 -10.616 749 1HE2 GLN 98 HE21 GLN 98 -12.160 0.629 -10.747 750 2HE2 GLN 98 HE22 GLN 98 -11.451 1.489 -12.078 751 H VAL 99 HN VAL 99 -15.481 -1.653 -13.886 752 HA VAL 99 HA VAL 99 -16.886 -1.124 -15.577 753 HB VAL 99 HB VAL 99 -18.806 -3.065 -14.297 754 1HG1 VAL 99 HG11 VAL 99 -19.674 -1.852 -16.229 755 2HG1 VAL 99 HG12 VAL 99 -19.435 -3.559 -16.605 756 3HG1 VAL 99 HG13 VAL 99 -18.280 -2.358 -17.183 757 1HG2 VAL 99 HG21 VAL 99 -17.627 -4.838 -15.501 758 2HG2 VAL 99 HG22 VAL 99 -16.577 -4.052 -14.323 759 3HG2 VAL 99 HG23 VAL 99 -16.418 -3.671 -16.037 760 H LEU 100 HN LEU 100 -19.714 -1.852 -13.708 761 HA LEU 100 HA LEU 100 -20.342 0.786 -12.852 762 1HB LEU 100 HB2 LEU 100 -20.626 0.824 -15.431 763 2HB LEU 100 HB1 LEU 100 -22.036 -0.185 -15.129 764 HG LEU 100 HG LEU 100 -22.821 1.647 -13.550 765 1HD1 LEU 100 HD11 LEU 100 -20.700 2.810 -13.313 766 2HD1 LEU 100 HD12 LEU 100 -21.943 3.885 -13.958 767 3HD1 LEU 100 HD13 LEU 100 -20.716 3.208 -15.030 768 1HD2 LEU 100 HD21 LEU 100 -23.734 2.997 -15.391 769 2HD2 LEU 100 HD22 LEU 100 -23.849 1.267 -15.715 770 3HD2 LEU 100 HD23 LEU 100 -22.597 2.230 -16.501 771 H SER 101 HN SER 101 -22.203 -1.807 -14.360 772 HA SER 101 HA SER 101 -23.578 -2.293 -11.825 773 1HB SER 101 HB2 SER 101 -24.173 -3.388 -14.587 774 2HB SER 101 HB1 SER 101 -25.201 -3.526 -13.160 775 HG SER 101 HG SER 101 -24.971 -1.044 -13.260 776 H THR 102 HN THR 102 -24.171 -4.854 -11.809 777 HA THR 102 HA THR 102 -21.600 -6.262 -12.121 778 HB THR 102 HB THR 102 -23.600 -6.793 -9.918 779 HG1 THR 102 HG1 THR 102 -21.675 -4.841 -10.160 780 1HG2 THR 102 HG21 THR 102 -21.716 -7.991 -8.884 781 2HG2 THR 102 HG22 THR 102 -20.709 -7.614 -10.284 782 3HG2 THR 102 HG23 THR 102 -22.113 -8.669 -10.463 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 36.669 -11.324 4.758 2 2H GLY 1 HT2 GLY 1 37.784 -11.863 3.600 3 3H GLY 1 HT3 GLY 1 36.690 -12.957 4.296 4 1HA GLY 1 HA1 GLY 1 36.058 -10.717 2.457 5 2HA GLY 1 HA2 GLY 1 35.915 -12.438 2.120 6 H SER 2 HN SER 2 33.989 -10.059 2.304 7 HA SER 2 HA SER 2 31.944 -11.479 3.836 8 1HB SER 2 HB2 SER 2 32.924 -9.831 5.389 9 2HB SER 2 HB1 SER 2 32.594 -8.546 4.228 10 HG SER 2 HG SER 2 30.873 -8.473 5.537 11 H GLU 3 HN GLU 3 29.840 -11.057 3.180 12 HA GLU 3 HA GLU 3 29.605 -9.751 0.562 13 1HB GLU 3 HB2 GLU 3 27.691 -11.589 2.011 14 2HB GLU 3 HB1 GLU 3 27.458 -10.946 0.390 15 1HG GLU 3 HG2 GLU 3 29.516 -12.130 -0.317 16 2HG GLU 3 HG1 GLU 3 29.607 -12.852 1.289 17 H LYS 4 HN LYS 4 29.026 -9.278 3.824 18 HA LYS 4 HA LYS 4 27.873 -7.781 5.075 19 1HB LYS 4 HB2 LYS 4 29.215 -6.247 3.615 20 2HB LYS 4 HB1 LYS 4 27.823 -6.123 2.549 21 1HG LYS 4 HG2 LYS 4 26.510 -5.163 4.373 22 2HG LYS 4 HG1 LYS 4 27.909 -5.281 5.441 23 1HD LYS 4 HD2 LYS 4 27.728 -3.025 4.600 24 2HD LYS 4 HD1 LYS 4 29.156 -3.797 3.906 25 1HE LYS 4 HE2 LYS 4 27.872 -4.281 1.861 26 2HE LYS 4 HE1 LYS 4 26.481 -3.450 2.558 27 1HZ LYS 4 HZ1 LYS 4 27.673 -1.989 1.078 28 2HZ LYS 4 HZ2 LYS 4 29.118 -2.236 1.927 29 3HZ LYS 4 HZ3 LYS 4 27.828 -1.421 2.671 30 H ARG 5 HN ARG 5 26.129 -9.358 5.079 31 HA ARG 5 HA ARG 5 23.843 -8.677 3.383 32 1HB ARG 5 HB2 ARG 5 24.397 -11.078 5.120 33 2HB ARG 5 HB1 ARG 5 22.954 -10.860 4.136 34 1HG ARG 5 HG2 ARG 5 25.777 -11.066 3.103 35 2HG ARG 5 HG1 ARG 5 24.578 -12.359 3.090 36 1HD ARG 5 HD2 ARG 5 23.136 -10.969 1.653 37 2HD ARG 5 HD1 ARG 5 24.386 -9.725 1.631 38 HE ARG 5 HE ARG 5 25.254 -12.343 0.761 39 1HH1 ARG 5 HH11 ARG 5 23.901 -9.271 -0.221 40 2HH1 ARG 5 HH12 ARG 5 24.446 -9.401 -1.859 41 1HH2 ARG 5 HH21 ARG 5 26.023 -12.502 -1.391 42 2HH2 ARG 5 HH22 ARG 5 25.640 -11.238 -2.533 43 H GLN 6 HN GLN 6 21.700 -8.910 4.447 44 HA GLN 6 HA GLN 6 21.707 -8.167 7.300 45 1HB GLN 6 HB2 GLN 6 19.825 -7.169 5.136 46 2HB GLN 6 HB1 GLN 6 19.632 -6.858 6.855 47 1HG GLN 6 HG2 GLN 6 22.065 -6.017 5.308 48 2HG GLN 6 HG1 GLN 6 20.634 -5.002 5.479 49 1HE2 GLN 6 HE21 GLN 6 23.313 -6.483 7.135 50 2HE2 GLN 6 HE22 GLN 6 23.230 -5.504 8.562 51 H HIS 7 HN HIS 7 19.439 -9.113 4.758 52 HA HIS 7 HA HIS 7 18.995 -11.715 5.902 53 1HB HIS 7 HB2 HIS 7 16.856 -9.600 6.052 54 2HB HIS 7 HB1 HIS 7 16.427 -11.298 5.893 55 HD1 HIS 7 HD1 HIS 7 17.195 -8.761 8.381 56 HD2 HIS 7 HD2 HIS 7 17.501 -12.906 8.119 57 HE1 HIS 7 HE1 HIS 7 17.413 -9.580 10.746 58 HE2 HIS 7 HE2 HIS 7 17.564 -12.088 10.574 59 H SER 8 HN SER 8 18.008 -9.225 3.648 60 HA SER 8 HA SER 8 17.891 -9.159 1.408 61 1HB SER 8 HB2 SER 8 19.333 -11.786 1.675 62 2HB SER 8 HB1 SER 8 19.013 -11.010 0.124 63 HG SER 8 HG SER 8 20.690 -9.820 0.484 64 H SER 9 HN SER 9 16.000 -11.203 3.122 65 HA SER 9 HA SER 9 14.300 -11.562 0.775 66 1HB SER 9 HB2 SER 9 14.857 -13.724 2.821 67 2HB SER 9 HB1 SER 9 13.644 -13.829 1.546 68 HG SER 9 HG SER 9 16.107 -14.578 1.360 69 H GLN 10 HN GLN 10 14.151 -9.549 2.684 70 HA GLN 10 HA GLN 10 12.177 -10.309 4.656 71 1HB GLN 10 HB2 GLN 10 13.127 -7.524 4.075 72 2HB GLN 10 HB1 GLN 10 12.546 -8.190 5.599 73 1HG GLN 10 HG2 GLN 10 14.570 -9.715 5.514 74 2HG GLN 10 HG1 GLN 10 15.161 -8.678 4.226 75 1HE2 GLN 10 HE21 GLN 10 13.318 -7.496 6.948 76 2HE2 GLN 10 HE22 GLN 10 14.615 -6.617 7.679 77 H ASP 11 HN ASP 11 12.295 -8.843 1.552 78 HA ASP 11 HA ASP 11 10.805 -8.039 0.079 79 1HB ASP 11 HB2 ASP 11 8.749 -9.167 -0.186 80 2HB ASP 11 HB1 ASP 11 9.866 -10.345 0.479 81 H VAL 12 HN VAL 12 8.984 -6.651 -0.361 82 HA VAL 12 HA VAL 12 7.986 -5.246 2.018 83 HB VAL 12 HB VAL 12 7.298 -3.544 0.097 84 1HG1 VAL 12 HG11 VAL 12 9.513 -2.331 0.820 85 2HG1 VAL 12 HG12 VAL 12 9.570 -3.654 1.988 86 3HG1 VAL 12 HG13 VAL 12 8.178 -2.580 1.940 87 1HG2 VAL 12 HG21 VAL 12 8.448 -4.607 -1.701 88 2HG2 VAL 12 HG22 VAL 12 9.942 -4.678 -0.770 89 3HG2 VAL 12 HG23 VAL 12 9.312 -3.119 -1.302 90 H HIS 13 HN HIS 13 6.094 -6.021 2.470 91 HA HIS 13 HA HIS 13 4.113 -6.232 0.320 92 1HB HIS 13 HB2 HIS 13 4.262 -7.336 3.110 93 2HB HIS 13 HB1 HIS 13 2.693 -7.110 2.345 94 HD1 HIS 13 HD1 HIS 13 5.557 -9.406 2.493 95 HD2 HIS 13 HD2 HIS 13 2.381 -8.674 -0.075 96 HE1 HIS 13 HE1 HIS 13 5.320 -11.485 1.103 97 HE2 HIS 13 HE2 HIS 13 3.255 -11.102 -0.294 98 H VAL 14 HN VAL 14 3.373 -4.263 -0.068 99 HA VAL 14 HA VAL 14 3.037 -2.482 2.237 100 HB VAL 14 HB VAL 14 3.130 -0.609 0.543 101 1HG1 VAL 14 HG11 VAL 14 5.564 -2.368 0.833 102 2HG1 VAL 14 HG12 VAL 14 5.011 -1.158 1.989 103 3HG1 VAL 14 HG13 VAL 14 5.575 -0.660 0.394 104 1HG2 VAL 14 HG21 VAL 14 4.177 -1.071 -1.604 105 2HG2 VAL 14 HG22 VAL 14 2.662 -1.957 -1.455 106 3HG2 VAL 14 HG23 VAL 14 4.199 -2.794 -1.242 107 H VAL 15 HN VAL 15 1.033 -2.640 2.885 108 HA VAL 15 HA VAL 15 -1.194 -2.762 1.110 109 HB VAL 15 HB VAL 15 -1.438 -3.657 3.338 110 1HG1 VAL 15 HG11 VAL 15 -0.866 -0.867 4.321 111 2HG1 VAL 15 HG12 VAL 15 0.143 -2.296 4.547 112 3HG1 VAL 15 HG13 VAL 15 -1.433 -2.199 5.330 113 1HG2 VAL 15 HG21 VAL 15 -3.444 -2.741 2.311 114 2HG2 VAL 15 HG22 VAL 15 -3.096 -1.160 3.013 115 3HG2 VAL 15 HG23 VAL 15 -3.485 -2.525 4.060 116 H LEU 16 HN LEU 16 -1.970 -1.158 -0.036 117 HA LEU 16 HA LEU 16 -1.307 1.583 0.767 118 1HB LEU 16 HB2 LEU 16 -0.889 0.473 -1.623 119 2HB LEU 16 HB1 LEU 16 -2.558 0.951 -1.865 120 HG LEU 16 HG LEU 16 -0.185 2.715 -1.320 121 1HD1 LEU 16 HD11 LEU 16 -0.410 2.221 -3.622 122 2HD1 LEU 16 HD12 LEU 16 -1.057 3.850 -3.374 123 3HD1 LEU 16 HD13 LEU 16 -2.154 2.483 -3.572 124 1HD2 LEU 16 HD21 LEU 16 -1.731 4.614 -1.298 125 2HD2 LEU 16 HD22 LEU 16 -2.012 3.527 0.063 126 3HD2 LEU 16 HD23 LEU 16 -3.095 3.495 -1.332 127 H LYS 17 HN LYS 17 -2.830 2.564 1.849 128 HA LYS 17 HA LYS 17 -5.618 1.838 1.332 129 1HB LYS 17 HB2 LYS 17 -4.500 3.363 3.704 130 2HB LYS 17 HB1 LYS 17 -6.151 2.810 3.496 131 1HG LYS 17 HG2 LYS 17 -5.470 0.517 3.681 132 2HG LYS 17 HG1 LYS 17 -3.766 0.983 3.691 133 1HD LYS 17 HD2 LYS 17 -4.145 2.233 5.769 134 2HD LYS 17 HD1 LYS 17 -5.826 1.716 5.758 135 1HE LYS 17 HE2 LYS 17 -3.523 -0.216 5.761 136 2HE LYS 17 HE1 LYS 17 -4.218 0.416 7.247 137 1HZ LYS 17 HZ1 LYS 17 -5.051 -1.805 6.479 138 2HZ LYS 17 HZ2 LYS 17 -5.840 -1.004 5.204 139 3HZ LYS 17 HZ3 LYS 17 -6.248 -0.653 6.813 140 H LEU 18 HN LEU 18 -6.973 3.271 0.547 141 HA LEU 18 HA LEU 18 -5.838 5.753 -0.557 142 1HB LEU 18 HB2 LEU 18 -6.749 4.088 -2.102 143 2HB LEU 18 HB1 LEU 18 -8.254 4.045 -1.214 144 HG LEU 18 HG LEU 18 -8.585 6.465 -1.901 145 1HD1 LEU 18 HD11 LEU 18 -6.398 5.766 -3.851 146 2HD1 LEU 18 HD12 LEU 18 -6.248 6.914 -2.517 147 3HD1 LEU 18 HD13 LEU 18 -7.378 7.236 -3.836 148 1HD2 LEU 18 HD21 LEU 18 -9.775 4.593 -2.922 149 2HD2 LEU 18 HD22 LEU 18 -8.442 4.358 -4.052 150 3HD2 LEU 18 HD23 LEU 18 -9.397 5.839 -4.112 151 H TRP 19 HN TRP 19 -6.531 7.686 0.253 152 HA TRP 19 HA TRP 19 -8.736 7.560 2.212 153 1HB TRP 19 HB2 TRP 19 -6.440 9.501 2.298 154 2HB TRP 19 HB1 TRP 19 -7.631 9.182 3.548 155 HD1 TRP 19 HD1 TRP 19 -4.217 8.423 2.581 156 HE1 TRP 19 HE1 TRP 19 -3.236 6.593 4.062 157 HE3 TRP 19 HE3 TRP 19 -8.547 6.600 4.616 158 HZ2 TRP 19 HZ2 TRP 19 -4.128 4.651 5.865 159 HZ3 TRP 19 HZ3 TRP 19 -8.391 4.727 6.211 160 HH2 TRP 19 HH2 TRP 19 -6.228 3.764 6.811 161 H LYS 20 HN LYS 20 -9.108 10.141 2.799 162 HA LYS 20 HA LYS 20 -10.447 11.142 0.493 163 1HB LYS 20 HB2 LYS 20 -10.992 13.076 2.095 164 2HB LYS 20 HB1 LYS 20 -11.659 11.490 2.431 165 1HG LYS 20 HG2 LYS 20 -10.955 12.060 4.515 166 2HG LYS 20 HG1 LYS 20 -9.499 11.263 3.924 167 1HD LYS 20 HD2 LYS 20 -8.569 13.462 3.314 168 2HD LYS 20 HD1 LYS 20 -10.020 14.236 3.956 169 1HE LYS 20 HE2 LYS 20 -9.525 13.281 6.169 170 2HE LYS 20 HE1 LYS 20 -8.054 12.562 5.517 171 1HZ LYS 20 HZ1 LYS 20 -7.497 14.584 6.629 172 2HZ LYS 20 HZ2 LYS 20 -8.668 15.457 5.771 173 3HZ LYS 20 HZ3 LYS 20 -7.308 14.850 4.964 174 H SER 21 HN SER 21 -7.531 12.073 2.245 175 HA SER 21 HA SER 21 -7.188 14.335 0.418 176 1HB SER 21 HB2 SER 21 -5.696 13.630 2.953 177 2HB SER 21 HB1 SER 21 -5.396 15.060 1.964 178 HG SER 21 HG SER 21 -7.598 15.667 2.362 179 H GLY 22 HN GLY 22 -5.826 11.225 1.218 180 1HA GLY 22 HA2 GLY 22 -4.127 11.275 -1.077 181 2HA GLY 22 HA1 GLY 22 -3.219 11.479 0.415 182 H PHE 23 HN PHE 23 -2.134 9.531 0.198 183 HA PHE 23 HA PHE 23 -3.735 7.153 0.774 184 1HB PHE 23 HB2 PHE 23 -2.592 5.864 -1.002 185 2HB PHE 23 HB1 PHE 23 -3.507 7.210 -1.665 186 HD1 PHE 23 HD1 PHE 23 -2.395 9.098 -2.671 187 HD2 PHE 23 HD2 PHE 23 -0.170 5.862 -1.030 188 HE1 PHE 23 HE1 PHE 23 -0.383 9.910 -3.805 189 HE2 PHE 23 HE2 PHE 23 1.844 6.676 -2.168 190 HZ PHE 23 HZ PHE 23 1.742 8.700 -3.560 191 H SER 24 HN SER 24 -2.638 5.528 1.871 192 HA SER 24 HA SER 24 0.137 6.128 2.712 193 1HB SER 24 HB2 SER 24 -1.344 6.590 4.586 194 2HB SER 24 HB1 SER 24 -2.153 5.038 4.375 195 HG SER 24 HG SER 24 0.614 5.292 4.976 196 H LEU 25 HN LEU 25 1.544 4.516 2.717 197 HA LEU 25 HA LEU 25 0.569 1.807 2.147 198 1HB LEU 25 HB2 LEU 25 3.086 1.709 1.159 199 2HB LEU 25 HB1 LEU 25 1.647 1.976 0.198 200 HG LEU 25 HG LEU 25 3.418 4.194 1.248 201 1HD1 LEU 25 HD11 LEU 25 4.239 4.317 -1.057 202 2HD1 LEU 25 HD12 LEU 25 3.291 2.883 -1.454 203 3HD1 LEU 25 HD13 LEU 25 4.620 2.770 -0.302 204 1HD2 LEU 25 HD21 LEU 25 1.260 4.198 -0.861 205 2HD2 LEU 25 HD22 LEU 25 2.260 5.572 -0.391 206 3HD2 LEU 25 HD23 LEU 25 1.109 4.884 0.759 207 H ASP 26 HN ASP 26 2.637 0.229 2.680 208 HA ASP 26 HA ASP 26 2.675 0.166 5.462 209 1HB ASP 26 HB2 ASP 26 3.118 -1.779 4.003 210 2HB ASP 26 HB1 ASP 26 4.688 -1.098 3.594 211 H ASN 27 HN ASN 27 4.801 1.782 3.267 212 HA ASN 27 HA ASN 27 6.861 2.257 5.266 213 1HB ASN 27 HB2 ASN 27 8.004 3.383 3.309 214 2HB ASN 27 HB1 ASN 27 7.626 1.675 3.039 215 1HD2 ASN 27 HD21 ASN 27 6.947 4.949 2.123 216 2HD2 ASN 27 HD22 ASN 27 5.854 4.579 0.827 217 H GLY 28 HN GLY 28 4.159 3.955 3.860 218 1HA GLY 28 HA2 GLY 28 5.170 6.461 5.022 219 2HA GLY 28 HA1 GLY 28 4.658 6.429 3.344 220 H GLU 29 HN GLU 29 3.707 7.874 5.760 221 HA GLU 29 HA GLU 29 1.133 6.895 6.457 222 1HB GLU 29 HB2 GLU 29 2.260 9.693 6.681 223 2HB GLU 29 HB1 GLU 29 0.831 9.089 7.510 224 1HG GLU 29 HG2 GLU 29 2.139 7.594 8.826 225 2HG GLU 29 HG1 GLU 29 3.587 7.949 7.884 226 H LEU 30 HN LEU 30 -0.662 8.779 6.281 227 HA LEU 30 HA LEU 30 -1.667 8.790 3.661 228 1HB LEU 30 HB2 LEU 30 -2.918 8.968 5.803 229 2HB LEU 30 HB1 LEU 30 -2.333 10.590 6.008 230 HG LEU 30 HG LEU 30 -4.530 9.528 4.314 231 1HD1 LEU 30 HD11 LEU 30 -4.691 10.852 6.517 232 2HD1 LEU 30 HD12 LEU 30 -5.768 11.267 5.186 233 3HD1 LEU 30 HD13 LEU 30 -4.342 12.255 5.510 234 1HD2 LEU 30 HD21 LEU 30 -3.048 12.020 3.552 235 2HD2 LEU 30 HD22 LEU 30 -4.590 11.472 2.893 236 3HD2 LEU 30 HD23 LEU 30 -3.125 10.528 2.615 237 H ARG 31 HN ARG 31 -0.281 9.658 2.159 238 HA ARG 31 HA ARG 31 0.526 12.454 2.517 239 1HB ARG 31 HB2 ARG 31 1.302 10.487 0.354 240 2HB ARG 31 HB1 ARG 31 1.917 12.125 0.518 241 1HG ARG 31 HG2 ARG 31 2.697 11.347 2.853 242 2HG ARG 31 HG1 ARG 31 2.480 9.721 2.197 243 1HD ARG 31 HD2 ARG 31 4.762 10.349 1.847 244 2HD ARG 31 HD1 ARG 31 3.948 10.390 0.279 245 HE ARG 31 HE ARG 31 3.712 12.938 1.084 246 1HH1 ARG 31 HH11 ARG 31 6.481 10.787 1.036 247 2HH1 ARG 31 HH12 ARG 31 7.623 12.057 0.726 248 1HH2 ARG 31 HH21 ARG 31 5.208 14.614 0.714 249 2HH2 ARG 31 HH22 ARG 31 6.905 14.252 0.611 250 H SER 32 HN SER 32 -0.637 14.004 1.632 251 HA SER 32 HA SER 32 -3.024 13.501 0.223 252 1HB SER 32 HB2 SER 32 -2.792 15.462 1.615 253 2HB SER 32 HB1 SER 32 -1.428 16.034 0.654 254 HG SER 32 HG SER 32 -3.677 16.915 0.288 255 H TYR 33 HN TYR 33 -3.510 13.502 -1.911 256 HA TYR 33 HA TYR 33 -1.536 12.727 -3.734 257 1HB TYR 33 HB2 TYR 33 -4.165 13.937 -4.564 258 2HB TYR 33 HB1 TYR 33 -3.234 12.703 -5.398 259 HD1 TYR 33 HD1 TYR 33 -3.014 10.384 -4.051 260 HD2 TYR 33 HD2 TYR 33 -5.983 13.353 -3.342 261 HE1 TYR 33 HE1 TYR 33 -4.457 8.683 -3.023 262 HE2 TYR 33 HE2 TYR 33 -7.430 11.663 -2.310 263 HH TYR 33 HH TYR 33 -7.749 9.443 -2.018 264 H GLN 34 HN GLN 34 -2.522 15.836 -2.754 265 HA GLN 34 HA GLN 34 -1.865 17.354 -5.057 266 1HB GLN 34 HB2 GLN 34 -1.856 18.190 -2.157 267 2HB GLN 34 HB1 GLN 34 -1.933 19.267 -3.545 268 1HG GLN 34 HG2 GLN 34 -4.119 18.484 -4.115 269 2HG GLN 34 HG1 GLN 34 -4.031 17.212 -2.897 270 1HE2 GLN 34 HE21 GLN 34 -2.719 19.014 -0.975 271 2HE2 GLN 34 HE22 GLN 34 -3.970 20.037 -0.361 272 H ASP 35 HN ASP 35 -0.005 16.022 -2.449 273 HA ASP 35 HA ASP 35 2.276 17.705 -2.735 274 1HB ASP 35 HB2 ASP 35 2.061 16.689 -0.640 275 2HB ASP 35 HB1 ASP 35 1.737 15.109 -1.333 276 HA PRO 36 HA PRO 36 3.826 15.823 -6.426 277 1HB PRO 36 HB2 PRO 36 6.303 17.293 -5.941 278 2HB PRO 36 HB1 PRO 36 5.109 17.502 -7.225 279 1HG PRO 36 HG2 PRO 36 5.444 19.314 -5.243 280 2HG PRO 36 HG1 PRO 36 3.870 19.013 -6.003 281 1HD PRO 36 HD2 PRO 36 4.936 18.007 -3.386 282 2HD PRO 36 HD1 PRO 36 3.320 18.630 -3.784 283 H SER 37 HN SER 37 5.060 15.181 -3.324 284 HA SER 37 HA SER 37 7.354 13.688 -4.318 285 1HB SER 37 HB2 SER 37 6.327 14.042 -1.495 286 2HB SER 37 HB1 SER 37 7.831 13.237 -1.945 287 HG SER 37 HG SER 37 7.435 15.825 -2.913 288 H ASN 38 HN ASN 38 4.202 13.097 -2.804 289 HA ASN 38 HA ASN 38 4.545 10.244 -3.081 290 1HB ASN 38 HB2 ASN 38 2.284 10.014 -2.305 291 2HB ASN 38 HB1 ASN 38 3.128 11.166 -1.287 292 1HD2 ASN 38 HD21 ASN 38 2.414 13.208 -1.154 293 2HD2 ASN 38 HD22 ASN 38 0.949 13.752 -1.897 294 H ALA 39 HN ALA 39 3.552 12.812 -5.035 295 HA ALA 39 HA ALA 39 2.040 11.617 -7.015 296 1HB ALA 39 HB1 ALA 39 4.343 13.510 -7.470 297 2HB ALA 39 HB2 ALA 39 2.706 13.988 -7.025 298 3HB ALA 39 HB3 ALA 39 3.005 13.203 -8.576 299 H GLN 40 HN GLN 40 5.417 11.147 -6.246 300 HA GLN 40 HA GLN 40 6.310 9.673 -8.430 301 1HB GLN 40 HB2 GLN 40 7.767 10.364 -6.590 302 2HB GLN 40 HB1 GLN 40 6.898 9.328 -5.477 303 1HG GLN 40 HG2 GLN 40 8.324 8.178 -7.843 304 2HG GLN 40 HG1 GLN 40 9.197 8.584 -6.371 305 1HE2 GLN 40 HE21 GLN 40 8.550 7.519 -4.402 306 2HE2 GLN 40 HE22 GLN 40 7.828 5.945 -4.465 307 H PHE 41 HN PHE 41 4.691 8.550 -5.477 308 HA PHE 41 HA PHE 41 4.458 5.845 -6.178 309 1HB PHE 41 HB2 PHE 41 2.584 7.492 -4.468 310 2HB PHE 41 HB1 PHE 41 2.685 5.737 -4.489 311 HD1 PHE 41 HD1 PHE 41 3.875 8.752 -3.041 312 HD2 PHE 41 HD2 PHE 41 4.867 4.679 -3.733 313 HE1 PHE 41 HE1 PHE 41 5.505 8.849 -1.207 314 HE2 PHE 41 HE2 PHE 41 6.505 4.768 -1.902 315 HZ PHE 41 HZ PHE 41 6.822 6.853 -0.637 316 H LEU 42 HN LEU 42 2.071 8.476 -6.378 317 HA LEU 42 HA LEU 42 -0.015 7.133 -7.557 318 1HB LEU 42 HB2 LEU 42 0.919 9.972 -7.926 319 2HB LEU 42 HB1 LEU 42 -0.568 9.375 -8.635 320 HG LEU 42 HG LEU 42 0.043 9.417 -5.682 321 1HD1 LEU 42 HD11 LEU 42 -1.717 11.212 -7.345 322 2HD1 LEU 42 HD12 LEU 42 -0.193 11.668 -6.579 323 3HD1 LEU 42 HD13 LEU 42 -1.586 11.236 -5.586 324 1HD2 LEU 42 HD21 LEU 42 -1.496 7.628 -6.317 325 2HD2 LEU 42 HD22 LEU 42 -2.501 8.792 -7.179 326 3HD2 LEU 42 HD23 LEU 42 -2.336 8.898 -5.427 327 H GLU 43 HN GLU 43 2.782 8.588 -9.148 328 HA GLU 43 HA GLU 43 1.939 8.038 -11.792 329 1HB GLU 43 HB2 GLU 43 3.636 9.727 -11.275 330 2HB GLU 43 HB1 GLU 43 4.719 8.472 -10.686 331 1HG GLU 43 HG2 GLU 43 4.771 7.494 -12.939 332 2HG GLU 43 HG1 GLU 43 3.744 8.809 -13.512 333 H SER 44 HN SER 44 4.459 6.453 -9.811 334 HA SER 44 HA SER 44 4.997 4.398 -11.613 335 1HB SER 44 HB2 SER 44 5.233 4.291 -8.597 336 2HB SER 44 HB1 SER 44 6.089 3.268 -9.751 337 HG SER 44 HG SER 44 6.533 5.921 -9.035 338 H ILE 45 HN ILE 45 2.634 4.549 -8.981 339 HA ILE 45 HA ILE 45 1.986 1.768 -9.156 340 HB ILE 45 HB ILE 45 0.483 3.997 -7.773 341 1HG1 ILE 45 HG12 ILE 45 2.445 1.970 -6.664 342 2HG1 ILE 45 HG11 ILE 45 2.833 3.655 -6.996 343 1HG2 ILE 45 HG21 ILE 45 -0.568 2.207 -6.472 344 2HG2 ILE 45 HG22 ILE 45 0.296 1.001 -7.427 345 3HG2 ILE 45 HG23 ILE 45 -0.917 2.028 -8.192 346 1HD1 ILE 45 HD11 ILE 45 1.218 4.363 -5.317 347 2HD1 ILE 45 HD12 ILE 45 2.414 3.265 -4.630 348 3HD1 ILE 45 HD13 ILE 45 0.794 2.681 -5.005 349 H ARG 46 HN ARG 46 0.613 4.734 -10.569 350 HA ARG 46 HA ARG 46 -1.672 3.364 -11.629 351 1HB ARG 46 HB2 ARG 46 -2.182 5.332 -12.852 352 2HB ARG 46 HB1 ARG 46 -1.533 5.871 -11.312 353 1HG ARG 46 HG2 ARG 46 0.572 6.418 -12.321 354 2HG ARG 46 HG1 ARG 46 0.067 5.710 -13.856 355 1HD ARG 46 HD2 ARG 46 -1.188 8.108 -12.518 356 2HD ARG 46 HD1 ARG 46 -0.091 8.153 -13.900 357 HE ARG 46 HE ARG 46 -2.618 6.664 -14.110 358 1HH1 ARG 46 HH11 ARG 46 -0.595 9.356 -15.110 359 2HH1 ARG 46 HH12 ARG 46 -1.594 9.755 -16.481 360 1HH2 ARG 46 HH21 ARG 46 -3.923 7.193 -15.889 361 2HH2 ARG 46 HH22 ARG 46 -3.487 8.520 -16.925 362 H ARG 47 HN ARG 47 1.623 3.799 -12.618 363 HA ARG 47 HA ARG 47 1.222 2.804 -15.281 364 1HB ARG 47 HB2 ARG 47 3.748 3.060 -13.661 365 2HB ARG 47 HB1 ARG 47 3.680 2.717 -15.378 366 1HG ARG 47 HG2 ARG 47 2.925 5.249 -13.960 367 2HG ARG 47 HG1 ARG 47 4.189 5.007 -15.167 368 1HD ARG 47 HD2 ARG 47 1.227 4.750 -15.635 369 2HD ARG 47 HD1 ARG 47 2.218 6.133 -16.097 370 HE ARG 47 HE ARG 47 3.502 4.292 -17.427 371 1HH1 ARG 47 HH11 ARG 47 0.042 4.502 -16.953 372 2HH1 ARG 47 HH12 ARG 47 -0.345 3.780 -18.476 373 1HH2 ARG 47 HH21 ARG 47 3.007 3.372 -19.461 374 2HH2 ARG 47 HH22 ARG 47 1.341 3.136 -19.914 375 H GLY 48 HN GLY 48 1.464 1.408 -12.194 376 1HA GLY 48 HA2 GLY 48 1.223 -0.841 -11.624 377 2HA GLY 48 HA1 GLY 48 1.497 -1.275 -13.308 378 H GLU 49 HN GLU 49 3.713 0.930 -11.937 379 HA GLU 49 HA GLU 49 5.770 -1.153 -11.991 380 1HB GLU 49 HB2 GLU 49 6.004 1.850 -12.130 381 2HB GLU 49 HB1 GLU 49 7.347 0.716 -12.231 382 1HG GLU 49 HG2 GLU 49 6.349 -0.238 -14.271 383 2HG GLU 49 HG1 GLU 49 5.067 0.967 -14.179 384 H VAL 50 HN VAL 50 7.655 -0.616 -10.448 385 HA VAL 50 HA VAL 50 6.501 -0.541 -7.795 386 HB VAL 50 HB VAL 50 8.002 -2.360 -8.288 387 1HG1 VAL 50 HG11 VAL 50 10.423 -1.958 -8.702 388 2HG1 VAL 50 HG12 VAL 50 10.058 -0.243 -8.903 389 3HG1 VAL 50 HG13 VAL 50 9.376 -1.427 -10.018 390 1HG2 VAL 50 HG21 VAL 50 7.991 -1.531 -5.996 391 2HG2 VAL 50 HG22 VAL 50 9.277 -0.391 -6.389 392 3HG2 VAL 50 HG23 VAL 50 9.596 -2.125 -6.430 393 HA PRO 51 HA PRO 51 8.040 3.640 -6.993 394 1HB PRO 51 HB2 PRO 51 7.084 3.059 -4.279 395 2HB PRO 51 HB1 PRO 51 6.580 4.333 -5.390 396 1HG PRO 51 HG2 PRO 51 5.004 2.252 -4.757 397 2HG PRO 51 HG1 PRO 51 4.956 3.044 -6.342 398 1HD PRO 51 HD2 PRO 51 6.241 0.463 -5.540 399 2HD PRO 51 HD1 PRO 51 5.359 0.868 -7.029 400 H ALA 52 HN ALA 52 9.987 4.231 -6.181 401 HA ALA 52 HA ALA 52 11.820 2.222 -5.443 402 1HB ALA 52 HB1 ALA 52 13.433 4.021 -5.220 403 2HB ALA 52 HB2 ALA 52 12.133 5.213 -5.250 404 3HB ALA 52 HB3 ALA 52 12.464 4.230 -6.678 405 H GLU 53 HN GLU 53 9.680 4.115 -3.581 406 HA GLU 53 HA GLU 53 11.096 4.202 -1.144 407 1HB GLU 53 HB2 GLU 53 8.173 4.365 -1.829 408 2HB GLU 53 HB1 GLU 53 8.736 4.453 -0.165 409 1HG GLU 53 HG2 GLU 53 9.576 6.303 -2.391 410 2HG GLU 53 HG1 GLU 53 8.351 6.660 -1.176 411 H LEU 54 HN LEU 54 9.205 1.701 -2.686 412 HA LEU 54 HA LEU 54 9.094 0.102 -0.259 413 1HB LEU 54 HB2 LEU 54 8.455 -1.110 -2.893 414 2HB LEU 54 HB1 LEU 54 7.649 -1.288 -1.349 415 HG LEU 54 HG LEU 54 7.375 1.056 -3.216 416 1HD1 LEU 54 HD11 LEU 54 6.323 -0.987 -4.012 417 2HD1 LEU 54 HD12 LEU 54 5.113 0.202 -3.521 418 3HD1 LEU 54 HD13 LEU 54 5.485 -1.170 -2.468 419 1HD2 LEU 54 HD21 LEU 54 7.155 1.817 -0.962 420 2HD2 LEU 54 HD22 LEU 54 6.145 0.436 -0.546 421 3HD2 LEU 54 HD23 LEU 54 5.534 1.674 -1.645 422 H ARG 55 HN ARG 55 10.560 0.073 -3.438 423 HA ARG 55 HA ARG 55 11.998 -2.317 -3.180 424 1HB ARG 55 HB2 ARG 55 11.750 -1.601 -5.379 425 2HB ARG 55 HB1 ARG 55 12.101 0.074 -4.978 426 1HG ARG 55 HG2 ARG 55 13.880 -0.858 -6.308 427 2HG ARG 55 HG1 ARG 55 14.453 -0.497 -4.673 428 1HD ARG 55 HD2 ARG 55 15.338 -2.619 -5.245 429 2HD ARG 55 HD1 ARG 55 14.016 -2.907 -4.117 430 HE ARG 55 HE ARG 55 12.658 -3.442 -6.168 431 1HH1 ARG 55 HH11 ARG 55 16.142 -3.701 -6.207 432 2HH1 ARG 55 HH12 ARG 55 16.168 -5.023 -7.341 433 1HH2 ARG 55 HH21 ARG 55 12.665 -5.155 -7.698 434 2HH2 ARG 55 HH22 ARG 55 14.187 -5.843 -8.189 435 H ARG 56 HN ARG 56 13.240 1.038 -2.977 436 HA ARG 56 HA ARG 56 15.543 0.072 -1.566 437 1HB ARG 56 HB2 ARG 56 15.665 2.020 -3.126 438 2HB ARG 56 HB1 ARG 56 14.713 2.949 -1.974 439 1HG ARG 56 HG2 ARG 56 17.175 3.340 -1.848 440 2HG ARG 56 HG1 ARG 56 16.437 2.818 -0.330 441 1HD ARG 56 HD2 ARG 56 17.095 0.454 -1.019 442 2HD ARG 56 HD1 ARG 56 18.103 1.215 -2.248 443 HE ARG 56 HE ARG 56 18.961 2.461 -0.070 444 1HH1 ARG 56 HH11 ARG 56 18.260 -0.934 -0.563 445 2HH1 ARG 56 HH12 ARG 56 19.507 -1.477 0.525 446 1HH2 ARG 56 HH21 ARG 56 20.557 1.754 1.402 447 2HH2 ARG 56 HH22 ARG 56 20.802 0.050 1.644 448 H LEU 57 HN LEU 57 13.372 -0.745 -0.264 449 HA LEU 57 HA LEU 57 13.948 0.465 2.335 450 1HB LEU 57 HB2 LEU 57 11.731 1.260 1.567 451 2HB LEU 57 HB1 LEU 57 11.209 -0.409 1.461 452 HG LEU 57 HG LEU 57 11.553 -0.675 3.880 453 1HD1 LEU 57 HD11 LEU 57 11.988 1.287 5.273 454 2HD1 LEU 57 HD12 LEU 57 12.220 2.264 3.824 455 3HD1 LEU 57 HD13 LEU 57 13.339 0.952 4.189 456 1HD2 LEU 57 HD21 LEU 57 9.844 1.675 3.119 457 2HD2 LEU 57 HD22 LEU 57 9.698 0.734 4.604 458 3HD2 LEU 57 HD23 LEU 57 9.377 -0.023 3.044 459 H ALA 58 HN ALA 58 12.100 -2.145 0.799 460 HA ALA 58 HA ALA 58 12.697 -4.117 2.704 461 1HB ALA 58 HB1 ALA 58 11.966 -4.385 -0.195 462 2HB ALA 58 HB2 ALA 58 10.883 -4.476 1.197 463 3HB ALA 58 HB3 ALA 58 12.083 -5.736 0.928 464 H HIS 59 HN HIS 59 14.275 -5.571 2.925 465 HA HIS 59 HA HIS 59 16.562 -5.434 1.104 466 1HB HIS 59 HB2 HIS 59 16.215 -7.041 3.654 467 2HB HIS 59 HB1 HIS 59 17.697 -6.897 2.724 468 HD1 HIS 59 HD1 HIS 59 16.920 -5.897 5.786 469 HD2 HIS 59 HD2 HIS 59 17.694 -3.601 2.408 470 HE1 HIS 59 HE1 HIS 59 17.627 -3.645 6.645 471 HE2 HIS 59 HE2 HIS 59 17.791 -2.205 4.583 472 H GLY 60 HN GLY 60 16.015 -6.494 -0.732 473 1HA GLY 60 HA2 GLY 60 16.202 -9.117 -1.167 474 2HA GLY 60 HA1 GLY 60 14.546 -9.003 -0.589 475 H GLY 61 HN GLY 61 13.826 -6.560 -1.733 476 1HA GLY 61 HA2 GLY 61 13.599 -5.444 -3.788 477 2HA GLY 61 HA1 GLY 61 14.386 -6.790 -4.593 478 H GLN 62 HN GLN 62 12.229 -8.198 -2.633 479 HA GLN 62 HA GLN 62 10.287 -8.607 -4.712 480 1HB GLN 62 HB2 GLN 62 10.853 -10.474 -3.346 481 2HB GLN 62 HB1 GLN 62 10.564 -9.555 -1.875 482 1HG GLN 62 HG2 GLN 62 8.208 -9.567 -2.244 483 2HG GLN 62 HG1 GLN 62 8.412 -10.221 -3.870 484 1HE2 GLN 62 HE21 GLN 62 10.294 -11.363 -1.179 485 2HE2 GLN 62 HE22 GLN 62 9.536 -12.911 -1.050 486 H VAL 63 HN VAL 63 8.665 -7.244 -5.079 487 HA VAL 63 HA VAL 63 7.699 -5.586 -2.837 488 HB VAL 63 HB VAL 63 7.979 -4.724 -5.721 489 1HG1 VAL 63 HG11 VAL 63 7.394 -2.499 -4.858 490 2HG1 VAL 63 HG12 VAL 63 7.119 -3.204 -3.264 491 3HG1 VAL 63 HG13 VAL 63 6.097 -3.670 -4.625 492 1HG2 VAL 63 HG21 VAL 63 9.596 -3.887 -3.308 493 2HG2 VAL 63 HG22 VAL 63 9.755 -3.243 -4.943 494 3HG2 VAL 63 HG23 VAL 63 10.161 -4.928 -4.616 495 H ASN 64 HN ASN 64 5.696 -6.165 -2.358 496 HA ASN 64 HA ASN 64 3.768 -6.569 -4.548 497 1HB ASN 64 HB2 ASN 64 4.298 -8.640 -3.328 498 2HB ASN 64 HB1 ASN 64 3.830 -7.873 -1.824 499 1HD2 ASN 64 HD21 ASN 64 2.072 -7.329 -4.810 500 2HD2 ASN 64 HD22 ASN 64 0.637 -8.171 -4.312 501 H LEU 65 HN LEU 65 2.087 -5.188 -4.539 502 HA LEU 65 HA LEU 65 1.529 -3.705 -2.052 503 1HB LEU 65 HB2 LEU 65 2.603 -2.226 -3.638 504 2HB LEU 65 HB1 LEU 65 1.485 -2.696 -4.902 505 HG LEU 65 HG LEU 65 0.341 -1.448 -2.453 506 1HD1 LEU 65 HD11 LEU 65 0.821 0.799 -3.339 507 2HD1 LEU 65 HD12 LEU 65 1.868 0.078 -4.564 508 3HD1 LEU 65 HD13 LEU 65 2.285 -0.054 -2.854 509 1HD2 LEU 65 HD21 LEU 65 -0.211 -1.133 -5.405 510 2HD2 LEU 65 HD22 LEU 65 -1.154 -0.427 -4.092 511 3HD2 LEU 65 HD23 LEU 65 -1.100 -2.178 -4.298 512 H ASP 66 HN ASP 66 -0.521 -3.560 -1.393 513 HA ASP 66 HA ASP 66 -2.645 -4.549 -3.190 514 1HB ASP 66 HB2 ASP 66 -2.309 -4.996 -0.218 515 2HB ASP 66 HB1 ASP 66 -3.841 -5.248 -1.049 516 H MET 67 HN MET 67 -4.766 -3.541 -2.804 517 HA MET 67 HA MET 67 -4.442 -0.867 -1.621 518 1HB MET 67 HB2 MET 67 -5.724 -1.662 -4.211 519 2HB MET 67 HB1 MET 67 -6.217 -0.194 -3.381 520 1HG MET 67 HG2 MET 67 -3.868 0.592 -3.460 521 2HG MET 67 HG1 MET 67 -3.460 -0.853 -4.392 522 1HE MET 67 HE1 MET 67 -2.418 0.836 -6.220 523 2HE MET 67 HE2 MET 67 -2.949 2.216 -5.261 524 3HE MET 67 HE3 MET 67 -3.346 2.130 -6.976 525 H GLU 68 HN GLU 68 -6.039 -0.005 -0.475 526 HA GLU 68 HA GLU 68 -8.662 -1.335 -0.365 527 1HB GLU 68 HB2 GLU 68 -7.406 -0.059 2.051 528 2HB GLU 68 HB1 GLU 68 -8.811 -1.104 1.985 529 1HG GLU 68 HG2 GLU 68 -7.437 -3.019 1.600 530 2HG GLU 68 HG1 GLU 68 -6.000 -2.004 1.441 531 H ASP 69 HN ASP 69 -10.312 0.162 -0.586 532 HA ASP 69 HA ASP 69 -9.445 2.965 -0.547 533 1HB ASP 69 HB2 ASP 69 -11.356 3.480 -1.975 534 2HB ASP 69 HB1 ASP 69 -10.349 2.236 -2.699 535 H HIS 70 HN HIS 70 -9.841 3.991 1.217 536 HA HIS 70 HA HIS 70 -12.251 3.346 2.791 537 1HB HIS 70 HB2 HIS 70 -9.639 4.617 3.677 538 2HB HIS 70 HB1 HIS 70 -11.029 4.359 4.728 539 HD1 HIS 70 HD1 HIS 70 -11.349 2.034 5.707 540 HD2 HIS 70 HD2 HIS 70 -8.239 2.237 2.939 541 HE1 HIS 70 HE1 HIS 70 -10.104 -0.151 5.906 542 HE2 HIS 70 HE2 HIS 70 -8.229 -0.019 4.221 543 H ARG 71 HN ARG 71 -10.081 5.988 1.975 544 HA ARG 71 HA ARG 71 -10.311 8.165 1.575 545 1HB ARG 71 HB2 ARG 71 -12.725 7.130 0.101 546 2HB ARG 71 HB1 ARG 71 -12.048 8.745 -0.101 547 1HG ARG 71 HG2 ARG 71 -9.843 7.575 -0.607 548 2HG ARG 71 HG1 ARG 71 -10.799 6.103 -0.773 549 1HD ARG 71 HD2 ARG 71 -11.437 8.608 -2.298 550 2HD ARG 71 HD1 ARG 71 -10.260 7.430 -2.888 551 HE ARG 71 HE ARG 71 -12.675 6.107 -2.251 552 1HH1 ARG 71 HH11 ARG 71 -11.349 8.362 -4.588 553 2HH1 ARG 71 HH12 ARG 71 -12.374 7.824 -5.884 554 1HH2 ARG 71 HH21 ARG 71 -14.030 5.387 -3.963 555 2HH2 ARG 71 HH22 ARG 71 -13.937 6.166 -5.516 556 H ASP 72 HN ASP 72 -13.829 7.631 1.864 557 HA ASP 72 HA ASP 72 -14.216 10.084 3.175 558 1HB ASP 72 HB2 ASP 72 -16.487 9.236 3.702 559 2HB ASP 72 HB1 ASP 72 -16.043 9.034 2.012 560 H GLU 73 HN GLU 73 -12.936 7.220 4.400 561 HA GLU 73 HA GLU 73 -13.618 7.575 7.126 562 1HB GLU 73 HB2 GLU 73 -11.596 6.004 5.604 563 2HB GLU 73 HB1 GLU 73 -11.329 6.234 7.321 564 1HG GLU 73 HG2 GLU 73 -13.608 5.320 7.729 565 2HG GLU 73 HG1 GLU 73 -13.708 4.957 6.006 566 H ASP 74 HN ASP 74 -10.195 7.615 6.474 567 HA ASP 74 HA ASP 74 -9.690 10.358 6.474 568 1HB ASP 74 HB2 ASP 74 -10.675 10.336 8.731 569 2HB ASP 74 HB1 ASP 74 -9.488 9.134 9.227 570 H PHE 75 HN PHE 75 -7.833 8.805 8.782 571 HA PHE 75 HA PHE 75 -6.235 7.203 6.997 572 1HB PHE 75 HB2 PHE 75 -5.040 9.193 6.682 573 2HB PHE 75 HB1 PHE 75 -5.178 9.658 8.371 574 HD1 PHE 75 HD1 PHE 75 -3.198 9.629 9.505 575 HD2 PHE 75 HD2 PHE 75 -3.833 6.715 6.470 576 HE1 PHE 75 HE1 PHE 75 -0.955 8.709 9.916 577 HE2 PHE 75 HE2 PHE 75 -1.588 5.800 6.865 578 HZ PHE 75 HZ PHE 75 -0.150 6.796 8.599 579 H VAL 76 HN VAL 76 -5.374 5.491 7.991 580 HA VAL 76 HA VAL 76 -4.704 5.464 10.755 581 HB VAL 76 HB VAL 76 -7.117 5.203 10.995 582 1HG1 VAL 76 HG11 VAL 76 -8.286 3.226 10.110 583 2HG1 VAL 76 HG12 VAL 76 -6.834 2.785 9.211 584 3HG1 VAL 76 HG13 VAL 76 -7.689 4.281 8.828 585 1HG2 VAL 76 HG21 VAL 76 -5.593 2.658 11.533 586 2HG2 VAL 76 HG22 VAL 76 -7.149 3.076 12.247 587 3HG2 VAL 76 HG23 VAL 76 -5.726 4.057 12.598 588 H LYS 77 HN LYS 77 -2.885 4.348 10.750 589 HA LYS 77 HA LYS 77 -2.870 1.648 10.215 590 1HB LYS 77 HB2 LYS 77 -2.788 1.984 7.915 591 2HB LYS 77 HB1 LYS 77 -1.568 3.232 8.052 592 1HG LYS 77 HG2 LYS 77 -0.080 1.357 9.018 593 2HG LYS 77 HG1 LYS 77 -1.283 0.266 8.326 594 1HD LYS 77 HD2 LYS 77 0.365 2.320 6.870 595 2HD LYS 77 HD1 LYS 77 0.492 0.563 6.741 596 1HE LYS 77 HE2 LYS 77 -1.675 0.419 5.738 597 2HE LYS 77 HE1 LYS 77 -1.975 2.134 6.030 598 1HZ LYS 77 HZ1 LYS 77 0.024 0.957 4.196 599 2HZ LYS 77 HZ2 LYS 77 -0.059 2.604 4.568 600 3HZ LYS 77 HZ3 LYS 77 -1.348 1.848 3.769 601 HA PRO 78 HA PRO 78 1.567 2.778 11.791 602 1HB PRO 78 HB2 PRO 78 1.549 5.724 11.401 603 2HB PRO 78 HB1 PRO 78 2.871 4.574 11.147 604 1HG PRO 78 HG2 PRO 78 1.608 5.670 9.076 605 2HG PRO 78 HG1 PRO 78 2.083 3.956 9.032 606 1HD PRO 78 HD2 PRO 78 -0.605 5.168 9.585 607 2HD PRO 78 HD1 PRO 78 -0.195 3.749 8.610 608 H LYS 79 HN LYS 79 -0.789 5.386 11.950 609 HA LYS 79 HA LYS 79 -0.782 5.301 14.865 610 1HB LYS 79 HB2 LYS 79 -2.300 7.273 14.665 611 2HB LYS 79 HB1 LYS 79 -0.724 7.519 13.928 612 1HG LYS 79 HG2 LYS 79 -1.658 7.177 11.719 613 2HG LYS 79 HG1 LYS 79 -3.233 6.795 12.419 614 1HD LYS 79 HD2 LYS 79 -1.784 9.439 12.596 615 2HD LYS 79 HD1 LYS 79 -3.206 9.088 11.613 616 1HE LYS 79 HE2 LYS 79 -3.072 8.999 14.626 617 2HE LYS 79 HE1 LYS 79 -3.800 10.285 13.663 618 1HZ LYS 79 HZ1 LYS 79 -4.700 7.452 13.667 619 2HZ LYS 79 HZ2 LYS 79 -5.433 8.743 12.840 620 3HZ LYS 79 HZ3 LYS 79 -5.438 8.707 14.533 621 H GLY 80 HN GLY 80 -1.679 3.060 14.704 622 1HA GLY 80 HA2 GLY 80 -4.611 3.254 14.753 623 2HA GLY 80 HA1 GLY 80 -3.851 1.963 13.827 624 H ALA 81 HN ALA 81 -5.286 0.761 15.425 625 HA ALA 81 HA ALA 81 -4.043 0.415 18.031 626 1HB ALA 81 HB1 ALA 81 -5.875 -1.132 18.483 627 2HB ALA 81 HB2 ALA 81 -6.415 -0.996 16.807 628 3HB ALA 81 HB3 ALA 81 -6.486 0.409 17.874 629 H PHE 82 HN PHE 82 -5.006 -1.785 15.396 630 HA PHE 82 HA PHE 82 -2.359 -2.933 15.348 631 1HB PHE 82 HB2 PHE 82 -3.363 -4.275 17.109 632 2HB PHE 82 HB1 PHE 82 -4.776 -4.592 16.110 633 HD1 PHE 82 HD1 PHE 82 -4.874 -6.539 14.873 634 HD2 PHE 82 HD2 PHE 82 -1.085 -5.064 16.130 635 HE1 PHE 82 HE1 PHE 82 -3.797 -8.562 13.982 636 HE2 PHE 82 HE2 PHE 82 -0.001 -7.086 15.238 637 HZ PHE 82 HZ PHE 82 -1.356 -8.837 14.163 638 H LYS 83 HN LYS 83 -5.670 -3.782 14.302 639 HA LYS 83 HA LYS 83 -4.623 -3.982 11.563 640 1HB LYS 83 HB2 LYS 83 -6.751 -5.272 11.109 641 2HB LYS 83 HB1 LYS 83 -5.586 -6.058 12.161 642 1HG LYS 83 HG2 LYS 83 -6.905 -5.414 14.110 643 2HG LYS 83 HG1 LYS 83 -8.068 -4.606 13.058 644 1HD LYS 83 HD2 LYS 83 -7.389 -7.545 12.947 645 2HD LYS 83 HD1 LYS 83 -8.802 -6.865 13.757 646 1HE LYS 83 HE2 LYS 83 -9.628 -5.995 11.650 647 2HE LYS 83 HE1 LYS 83 -8.180 -6.558 10.819 648 1HZ LYS 83 HZ1 LYS 83 -8.797 -8.823 11.284 649 2HZ LYS 83 HZ2 LYS 83 -10.086 -8.043 10.507 650 3HZ LYS 83 HZ3 LYS 83 -10.145 -8.322 12.180 651 H ALA 84 HN ALA 84 -4.826 -2.109 10.588 652 HA ALA 84 HA ALA 84 -6.970 -0.287 11.275 653 1HB ALA 84 HB1 ALA 84 -4.715 0.015 9.298 654 2HB ALA 84 HB2 ALA 84 -4.680 0.522 10.986 655 3HB ALA 84 HB3 ALA 84 -5.791 1.297 9.856 656 H PHE 85 HN PHE 85 -8.178 -2.418 10.220 657 HA PHE 85 HA PHE 85 -9.671 -1.346 8.096 658 1HB PHE 85 HB2 PHE 85 -9.104 -2.870 6.278 659 2HB PHE 85 HB1 PHE 85 -7.683 -1.947 6.749 660 HD1 PHE 85 HD1 PHE 85 -6.005 -3.100 8.315 661 HD2 PHE 85 HD2 PHE 85 -9.034 -5.180 6.168 662 HE1 PHE 85 HE1 PHE 85 -4.739 -5.192 8.565 663 HE2 PHE 85 HE2 PHE 85 -7.772 -7.276 6.417 664 HZ PHE 85 HZ PHE 85 -5.624 -7.284 7.614 665 H THR 86 HN THR 86 -11.618 -2.287 8.074 666 HA THR 86 HA THR 86 -12.011 -4.731 9.622 667 HB THR 86 HB THR 86 -14.082 -2.997 8.243 668 HG1 THR 86 HG1 THR 86 -13.839 -1.695 9.878 669 1HG2 THR 86 HG21 THR 86 -15.678 -4.097 9.735 670 2HG2 THR 86 HG22 THR 86 -14.379 -5.089 10.403 671 3HG2 THR 86 HG23 THR 86 -14.856 -5.277 8.714 672 H GLY 87 HN GLY 87 -12.011 -3.532 6.359 673 1HA GLY 87 HA2 GLY 87 -11.599 -4.772 4.439 674 2HA GLY 87 HA1 GLY 87 -11.853 -6.245 5.360 675 H GLU 88 HN GLU 88 -14.315 -6.155 6.276 676 HA GLU 88 HA GLU 88 -15.836 -6.592 3.880 677 1HB GLU 88 HB2 GLU 88 -15.954 -8.098 5.842 678 2HB GLU 88 HB1 GLU 88 -16.686 -6.801 6.775 679 1HG GLU 88 HG2 GLU 88 -18.368 -8.362 6.007 680 2HG GLU 88 HG1 GLU 88 -18.599 -6.783 5.257 681 H GLY 89 HN GLY 89 -17.711 -5.585 3.212 682 1HA GLY 89 HA2 GLY 89 -19.582 -4.152 3.553 683 2HA GLY 89 HA1 GLY 89 -18.670 -3.290 4.778 684 H GLN 90 HN GLN 90 -16.607 -3.698 2.217 685 HA GLN 90 HA GLN 90 -17.402 -1.070 1.141 686 1HB GLN 90 HB2 GLN 90 -14.991 -0.596 0.781 687 2HB GLN 90 HB1 GLN 90 -15.424 -0.765 2.475 688 1HG GLN 90 HG2 GLN 90 -14.475 -2.980 2.541 689 2HG GLN 90 HG1 GLN 90 -14.156 -2.926 0.809 690 1HE2 GLN 90 HE21 GLN 90 -13.688 -0.156 2.880 691 2HE2 GLN 90 HE22 GLN 90 -11.968 -0.140 2.780 692 H LYS 91 HN LYS 91 -15.765 -4.115 0.386 693 HA LYS 91 HA LYS 91 -16.087 -3.499 -2.476 694 1HB LYS 91 HB2 LYS 91 -13.771 -3.951 -1.546 695 2HB LYS 91 HB1 LYS 91 -14.299 -5.597 -1.238 696 1HG LYS 91 HG2 LYS 91 -14.592 -6.016 -3.570 697 2HG LYS 91 HG1 LYS 91 -14.312 -4.317 -3.961 698 1HD LYS 91 HD2 LYS 91 -12.018 -4.521 -3.070 699 2HD LYS 91 HD1 LYS 91 -12.310 -6.233 -2.760 700 1HE LYS 91 HE2 LYS 91 -11.090 -5.957 -4.833 701 2HE LYS 91 HE1 LYS 91 -12.705 -6.584 -5.155 702 1HZ LYS 91 HZ1 LYS 91 -12.195 -4.895 -6.738 703 2HZ LYS 91 HZ2 LYS 91 -11.774 -3.788 -5.529 704 3HZ LYS 91 HZ3 LYS 91 -13.384 -4.287 -5.696 705 H LEU 92 HN LEU 92 -17.106 -5.454 0.096 706 HA LEU 92 HA LEU 92 -18.763 -6.962 0.334 707 1HB LEU 92 HB2 LEU 92 -19.236 -6.324 -2.558 708 2HB LEU 92 HB1 LEU 92 -20.151 -7.573 -1.739 709 HG LEU 92 HG LEU 92 -21.490 -5.620 -1.717 710 1HD1 LEU 92 HD11 LEU 92 -20.174 -5.851 0.981 711 2HD1 LEU 92 HD12 LEU 92 -21.486 -6.865 0.379 712 3HD1 LEU 92 HD13 LEU 92 -21.755 -5.143 0.652 713 1HD2 LEU 92 HD21 LEU 92 -19.756 -3.979 -2.223 714 2HD2 LEU 92 HD22 LEU 92 -19.135 -4.124 -0.577 715 3HD2 LEU 92 HD23 LEU 92 -20.749 -3.467 -0.857 716 H GLY 93 HN GLY 93 -17.039 -7.608 -2.731 717 1HA GLY 93 HA2 GLY 93 -15.315 -9.424 -2.320 718 2HA GLY 93 HA1 GLY 93 -16.678 -10.368 -1.751 719 H SER 94 HN SER 94 -14.664 -10.177 -4.198 720 HA SER 94 HA SER 94 -16.657 -10.919 -6.226 721 1HB SER 94 HB2 SER 94 -14.572 -10.874 -7.735 722 2HB SER 94 HB1 SER 94 -15.155 -9.323 -7.130 723 HG SER 94 HG SER 94 -13.019 -10.871 -6.044 724 H THR 95 HN THR 95 -16.193 -12.565 -4.018 725 HA THR 95 HA THR 95 -14.167 -14.511 -4.504 726 HB THR 95 HB THR 95 -15.358 -15.687 -2.564 727 HG1 THR 95 HG1 THR 95 -17.172 -14.826 -1.872 728 1HG2 THR 95 HG21 THR 95 -14.352 -12.858 -2.207 729 2HG2 THR 95 HG22 THR 95 -13.372 -14.326 -2.216 730 3HG2 THR 95 HG23 THR 95 -14.529 -14.045 -0.914 731 H ALA 96 HN ALA 96 -17.708 -14.508 -4.749 732 HA ALA 96 HA ALA 96 -17.712 -17.310 -5.496 733 1HB ALA 96 HB1 ALA 96 -20.026 -15.400 -5.189 734 2HB ALA 96 HB2 ALA 96 -19.388 -16.445 -3.921 735 3HB ALA 96 HB3 ALA 96 -20.130 -17.151 -5.358 736 HA PRO 97 HA PRO 97 -17.787 -16.230 -9.883 737 1HB PRO 97 HB2 PRO 97 -17.829 -19.135 -10.239 738 2HB PRO 97 HB1 PRO 97 -16.611 -17.967 -10.756 739 1HG PRO 97 HG2 PRO 97 -16.161 -19.752 -8.777 740 2HG PRO 97 HG1 PRO 97 -15.422 -18.140 -8.795 741 1HD PRO 97 HD2 PRO 97 -17.793 -19.120 -7.249 742 2HD PRO 97 HD1 PRO 97 -16.464 -18.066 -6.725 743 H GLN 98 HN GLN 98 -19.575 -15.861 -11.004 744 HA GLN 98 HA GLN 98 -21.760 -15.752 -11.587 745 1HB GLN 98 HB2 GLN 98 -21.921 -18.658 -10.772 746 2HB GLN 98 HB1 GLN 98 -23.062 -17.790 -11.788 747 1HG GLN 98 HG2 GLN 98 -21.304 -17.491 -13.476 748 2HG GLN 98 HG1 GLN 98 -20.198 -18.419 -12.460 749 1HE2 GLN 98 HE21 GLN 98 -22.955 -18.534 -14.549 750 2HE2 GLN 98 HE22 GLN 98 -23.019 -20.255 -14.712 751 H VAL 99 HN VAL 99 -22.126 -18.159 -9.018 752 HA VAL 99 HA VAL 99 -23.093 -16.204 -7.137 753 HB VAL 99 HB VAL 99 -25.093 -16.548 -8.533 754 1HG1 VAL 99 HG11 VAL 99 -26.255 -18.697 -8.548 755 2HG1 VAL 99 HG12 VAL 99 -24.919 -19.428 -7.659 756 3HG1 VAL 99 HG13 VAL 99 -24.661 -18.821 -9.295 757 1HG2 VAL 99 HG21 VAL 99 -25.293 -17.693 -5.753 758 2HG2 VAL 99 HG22 VAL 99 -26.659 -17.128 -6.712 759 3HG2 VAL 99 HG23 VAL 99 -25.410 -15.992 -6.203 760 H LEU 100 HN LEU 100 -22.226 -19.450 -8.006 761 HA LEU 100 HA LEU 100 -22.591 -20.534 -5.351 762 1HB LEU 100 HB2 LEU 100 -22.755 -21.748 -7.642 763 2HB LEU 100 HB1 LEU 100 -21.007 -21.836 -7.531 764 HG LEU 100 HG LEU 100 -21.326 -22.938 -5.280 765 1HD1 LEU 100 HD11 LEU 100 -23.609 -22.263 -4.864 766 2HD1 LEU 100 HD12 LEU 100 -23.495 -24.024 -4.906 767 3HD1 LEU 100 HD13 LEU 100 -24.156 -23.149 -6.289 768 1HD2 LEU 100 HD21 LEU 100 -21.809 -25.134 -6.280 769 2HD2 LEU 100 HD22 LEU 100 -20.669 -24.195 -7.244 770 3HD2 LEU 100 HD23 LEU 100 -22.353 -24.327 -7.752 771 H SER 101 HN SER 101 -20.751 -21.509 -4.136 772 HA SER 101 HA SER 101 -18.674 -19.638 -3.753 773 1HB SER 101 HB2 SER 101 -19.469 -21.148 -1.972 774 2HB SER 101 HB1 SER 101 -18.811 -22.527 -2.849 775 HG SER 101 HG SER 101 -17.309 -20.325 -1.834 776 H THR 102 HN THR 102 -18.640 -22.887 -5.184 777 HA THR 102 HA THR 102 -16.605 -22.030 -7.061 778 HB THR 102 HB THR 102 -15.501 -24.410 -6.545 779 HG1 THR 102 HG1 THR 102 -16.497 -25.098 -4.759 780 1HG2 THR 102 HG21 THR 102 -13.782 -23.242 -5.243 781 2HG2 THR 102 HG22 THR 102 -14.881 -21.883 -5.013 782 3HG2 THR 102 HG23 THR 102 -14.301 -22.283 -6.629 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -20.208 -7.218 -12.344 2 2H GLY 1 HT2 GLY 1 -21.192 -7.619 -13.662 3 3H GLY 1 HT3 GLY 1 -20.843 -8.782 -12.474 4 1HA GLY 1 HA1 GLY 1 -22.409 -6.295 -12.045 5 2HA GLY 1 HA2 GLY 1 -23.087 -7.910 -12.210 6 H SER 2 HN SER 2 -23.923 -7.003 -10.017 7 HA SER 2 HA SER 2 -22.426 -8.386 -7.973 8 1HB SER 2 HB2 SER 2 -22.962 -5.412 -7.721 9 2HB SER 2 HB1 SER 2 -22.387 -6.449 -6.416 10 HG SER 2 HG SER 2 -20.837 -6.774 -8.586 11 H GLU 3 HN GLU 3 -23.886 -9.556 -6.938 12 HA GLU 3 HA GLU 3 -26.620 -8.544 -6.647 13 1HB GLU 3 HB2 GLU 3 -25.382 -11.260 -6.214 14 2HB GLU 3 HB1 GLU 3 -26.987 -10.870 -5.616 15 1HG GLU 3 HG2 GLU 3 -27.180 -12.028 -7.699 16 2HG GLU 3 HG1 GLU 3 -27.689 -10.358 -7.921 17 H LYS 4 HN LYS 4 -23.740 -8.442 -5.122 18 HA LYS 4 HA LYS 4 -23.038 -7.668 -3.115 19 1HB LYS 4 HB2 LYS 4 -25.301 -6.287 -3.577 20 2HB LYS 4 HB1 LYS 4 -25.770 -7.119 -2.101 21 1HG LYS 4 HG2 LYS 4 -24.018 -6.118 -0.868 22 2HG LYS 4 HG1 LYS 4 -23.234 -5.524 -2.335 23 1HD LYS 4 HD2 LYS 4 -25.285 -4.138 -2.750 24 2HD LYS 4 HD1 LYS 4 -25.850 -4.613 -1.147 25 1HE LYS 4 HE2 LYS 4 -23.922 -3.583 -0.121 26 2HE LYS 4 HE1 LYS 4 -23.240 -3.208 -1.704 27 1HZ LYS 4 HZ1 LYS 4 -25.743 -2.102 -0.550 28 2HZ LYS 4 HZ2 LYS 4 -25.198 -1.806 -2.126 29 3HZ LYS 4 HZ3 LYS 4 -24.288 -1.262 -0.801 30 H ARG 5 HN ARG 5 -23.551 -10.388 -3.461 31 HA ARG 5 HA ARG 5 -24.626 -11.335 -0.918 32 1HB ARG 5 HB2 ARG 5 -23.704 -12.763 -3.418 33 2HB ARG 5 HB1 ARG 5 -24.217 -13.602 -1.959 34 1HG ARG 5 HG2 ARG 5 -25.999 -11.605 -3.304 35 2HG ARG 5 HG1 ARG 5 -25.920 -13.281 -3.852 36 1HD ARG 5 HD2 ARG 5 -26.422 -12.584 -0.972 37 2HD ARG 5 HD1 ARG 5 -27.735 -12.656 -2.148 38 HE ARG 5 HE ARG 5 -26.879 -15.016 -2.577 39 1HH1 ARG 5 HH11 ARG 5 -26.490 -13.450 0.543 40 2HH1 ARG 5 HH12 ARG 5 -26.637 -14.933 1.436 41 1HH2 ARG 5 HH21 ARG 5 -27.072 -16.956 -1.387 42 2HH2 ARG 5 HH22 ARG 5 -26.959 -16.922 0.347 43 H GLN 6 HN GLN 6 -23.211 -13.429 -0.223 44 HA GLN 6 HA GLN 6 -21.317 -14.252 0.698 45 1HB GLN 6 HB2 GLN 6 -20.160 -13.875 -1.419 46 2HB GLN 6 HB1 GLN 6 -19.876 -12.195 -0.988 47 1HG GLN 6 HG2 GLN 6 -18.434 -12.870 0.829 48 2HG GLN 6 HG1 GLN 6 -18.774 -14.569 0.501 49 1HE2 GLN 6 HE21 GLN 6 -16.235 -13.148 0.515 50 2HE2 GLN 6 HE22 GLN 6 -15.549 -13.376 -1.056 51 H HIS 7 HN HIS 7 -20.777 -13.964 2.724 52 HA HIS 7 HA HIS 7 -21.198 -11.411 3.988 53 1HB HIS 7 HB2 HIS 7 -21.837 -13.657 4.983 54 2HB HIS 7 HB1 HIS 7 -20.123 -13.952 5.235 55 HD1 HIS 7 HD1 HIS 7 -19.593 -13.630 7.617 56 HD2 HIS 7 HD2 HIS 7 -22.382 -10.855 6.270 57 HE1 HIS 7 HE1 HIS 7 -20.141 -12.195 9.608 58 HE2 HIS 7 HE2 HIS 7 -21.663 -10.394 8.715 59 H SER 8 HN SER 8 -19.511 -10.298 2.791 60 HA SER 8 HA SER 8 -16.774 -11.154 3.154 61 1HB SER 8 HB2 SER 8 -17.846 -8.713 1.726 62 2HB SER 8 HB1 SER 8 -16.227 -9.397 1.573 63 HG SER 8 HG SER 8 -18.658 -10.290 0.533 64 H SER 9 HN SER 9 -17.628 -10.580 5.640 65 HA SER 9 HA SER 9 -16.609 -7.880 6.187 66 1HB SER 9 HB2 SER 9 -17.562 -8.405 8.535 67 2HB SER 9 HB1 SER 9 -18.713 -8.117 7.229 68 HG SER 9 HG SER 9 -17.810 -10.718 7.914 69 H GLN 10 HN GLN 10 -15.137 -10.384 5.526 70 HA GLN 10 HA GLN 10 -13.745 -11.387 7.746 71 1HB GLN 10 HB2 GLN 10 -12.890 -11.151 4.854 72 2HB GLN 10 HB1 GLN 10 -12.101 -12.158 6.061 73 1HG GLN 10 HG2 GLN 10 -13.883 -13.641 6.177 74 2HG GLN 10 HG1 GLN 10 -15.012 -12.489 5.468 75 1HE2 GLN 10 HE21 GLN 10 -12.420 -14.723 4.832 76 2HE2 GLN 10 HE22 GLN 10 -12.696 -14.862 3.130 77 H ASP 11 HN ASP 11 -13.234 -8.607 5.704 78 HA ASP 11 HA ASP 11 -11.984 -6.746 5.833 79 1HB ASP 11 HB2 ASP 11 -12.719 -6.477 8.072 80 2HB ASP 11 HB1 ASP 11 -11.595 -7.693 8.675 81 H VAL 12 HN VAL 12 -10.119 -6.302 4.940 82 HA VAL 12 HA VAL 12 -7.837 -8.125 5.335 83 HB VAL 12 HB VAL 12 -7.238 -7.934 3.030 84 1HG1 VAL 12 HG11 VAL 12 -8.908 -9.616 3.485 85 2HG1 VAL 12 HG12 VAL 12 -9.198 -8.903 1.896 86 3HG1 VAL 12 HG13 VAL 12 -10.199 -8.433 3.273 87 1HG2 VAL 12 HG21 VAL 12 -8.544 -6.610 1.412 88 2HG2 VAL 12 HG22 VAL 12 -7.788 -5.602 2.647 89 3HG2 VAL 12 HG23 VAL 12 -9.514 -5.967 2.742 90 H HIS 13 HN HIS 13 -5.737 -7.072 4.645 91 HA HIS 13 HA HIS 13 -5.754 -4.239 5.461 92 1HB HIS 13 HB2 HIS 13 -3.892 -6.476 6.108 93 2HB HIS 13 HB1 HIS 13 -3.206 -4.867 5.917 94 HD1 HIS 13 HD1 HIS 13 -2.751 -4.085 8.230 95 HD2 HIS 13 HD2 HIS 13 -6.497 -5.877 7.884 96 HE1 HIS 13 HE1 HIS 13 -3.865 -3.788 10.465 97 HE2 HIS 13 HE2 HIS 13 -6.186 -4.724 10.180 98 H VAL 14 HN VAL 14 -5.223 -2.848 3.964 99 HA VAL 14 HA VAL 14 -3.789 -3.786 1.578 100 HB VAL 14 HB VAL 14 -5.345 -1.224 2.016 101 1HG1 VAL 14 HG11 VAL 14 -3.544 -0.898 0.424 102 2HG1 VAL 14 HG12 VAL 14 -5.094 -0.921 -0.418 103 3HG1 VAL 14 HG13 VAL 14 -4.041 -2.335 -0.468 104 1HG2 VAL 14 HG21 VAL 14 -6.047 -3.690 0.424 105 2HG2 VAL 14 HG22 VAL 14 -6.992 -2.203 0.496 106 3HG2 VAL 14 HG23 VAL 14 -6.789 -3.189 1.943 107 H VAL 15 HN VAL 15 -1.689 -3.561 1.768 108 HA VAL 15 HA VAL 15 -0.534 -1.849 3.718 109 HB VAL 15 HB VAL 15 0.358 -4.097 3.046 110 1HG1 VAL 15 HG11 VAL 15 0.251 -3.919 0.656 111 2HG1 VAL 15 HG12 VAL 15 1.904 -4.242 1.183 112 3HG1 VAL 15 HG13 VAL 15 1.440 -2.617 0.684 113 1HG2 VAL 15 HG21 VAL 15 2.725 -3.443 3.295 114 2HG2 VAL 15 HG22 VAL 15 1.663 -2.633 4.445 115 3HG2 VAL 15 HG23 VAL 15 2.256 -1.762 3.030 116 H LEU 16 HN LEU 16 -0.063 0.127 3.612 117 HA LEU 16 HA LEU 16 0.423 1.345 0.998 118 1HB LEU 16 HB2 LEU 16 -1.371 2.311 2.459 119 2HB LEU 16 HB1 LEU 16 -0.127 2.718 3.627 120 HG LEU 16 HG LEU 16 0.432 3.657 0.932 121 1HD1 LEU 16 HD11 LEU 16 -1.917 4.781 2.436 122 2HD1 LEU 16 HD12 LEU 16 -1.976 3.938 0.887 123 3HD1 LEU 16 HD13 LEU 16 -1.172 5.504 1.011 124 1HD2 LEU 16 HD21 LEU 16 0.943 5.738 2.170 125 2HD2 LEU 16 HD22 LEU 16 1.784 4.327 2.814 126 3HD2 LEU 16 HD23 LEU 16 0.366 4.962 3.646 127 H LYS 17 HN LYS 17 2.366 2.004 0.499 128 HA LYS 17 HA LYS 17 4.438 1.757 2.554 129 1HB LYS 17 HB2 LYS 17 4.865 1.792 -0.442 130 2HB LYS 17 HB1 LYS 17 6.001 1.293 0.807 131 1HG LYS 17 HG2 LYS 17 5.339 -0.781 0.350 132 2HG LYS 17 HG1 LYS 17 3.870 -0.376 1.240 133 1HD LYS 17 HD2 LYS 17 2.934 0.476 -0.958 134 2HD LYS 17 HD1 LYS 17 4.334 -0.287 -1.735 135 1HE LYS 17 HE2 LYS 17 3.637 -2.435 -1.126 136 2HE LYS 17 HE1 LYS 17 2.550 -1.833 0.120 137 1HZ LYS 17 HZ1 LYS 17 1.060 -1.033 -1.556 138 2HZ LYS 17 HZ2 LYS 17 1.382 -2.671 -1.860 139 3HZ LYS 17 HZ3 LYS 17 2.125 -1.465 -2.798 140 H LEU 18 HN LEU 18 5.684 3.380 3.056 141 HA LEU 18 HA LEU 18 5.009 6.034 2.000 142 1HB LEU 18 HB2 LEU 18 4.698 6.007 4.312 143 2HB LEU 18 HB1 LEU 18 6.017 4.890 4.583 144 HG LEU 18 HG LEU 18 7.613 6.771 4.152 145 1HD1 LEU 18 HD11 LEU 18 5.119 8.458 4.280 146 2HD1 LEU 18 HD12 LEU 18 6.161 8.252 2.868 147 3HD1 LEU 18 HD13 LEU 18 6.779 9.057 4.313 148 1HD2 LEU 18 HD21 LEU 18 7.124 6.092 6.390 149 2HD2 LEU 18 HD22 LEU 18 5.620 7.010 6.392 150 3HD2 LEU 18 HD23 LEU 18 7.166 7.855 6.347 151 H TRP 19 HN TRP 19 6.342 6.549 0.373 152 HA TRP 19 HA TRP 19 9.121 5.599 0.414 153 1HB TRP 19 HB2 TRP 19 7.711 6.889 -1.917 154 2HB TRP 19 HB1 TRP 19 9.136 5.865 -1.955 155 HD1 TRP 19 HD1 TRP 19 5.408 5.780 -2.142 156 HE1 TRP 19 HE1 TRP 19 4.640 3.393 -2.651 157 HE3 TRP 19 HE3 TRP 19 9.768 3.310 -1.234 158 HZ2 TRP 19 HZ2 TRP 19 5.736 0.799 -2.670 159 HZ3 TRP 19 HZ3 TRP 19 9.800 0.853 -1.481 160 HH2 TRP 19 HH2 TRP 19 7.796 -0.370 -2.174 161 H LYS 20 HN LYS 20 10.329 7.440 -1.232 162 HA LYS 20 HA LYS 20 10.466 9.751 0.485 163 1HB LYS 20 HB2 LYS 20 12.277 10.486 -1.102 164 2HB LYS 20 HB1 LYS 20 12.565 8.958 -0.290 165 1HG LYS 20 HG2 LYS 20 13.203 8.398 -2.392 166 2HG LYS 20 HG1 LYS 20 11.495 7.971 -2.490 167 1HD LYS 20 HD2 LYS 20 12.017 9.181 -4.469 168 2HD LYS 20 HD1 LYS 20 11.088 10.278 -3.443 169 1HE LYS 20 HE2 LYS 20 13.059 11.450 -2.787 170 2HE LYS 20 HE1 LYS 20 14.104 10.236 -3.524 171 1HZ LYS 20 HZ1 LYS 20 13.921 12.240 -4.882 172 2HZ LYS 20 HZ2 LYS 20 12.244 12.026 -5.006 173 3HZ LYS 20 HZ3 LYS 20 13.300 10.888 -5.694 174 H SER 21 HN SER 21 9.238 8.984 -2.707 175 HA SER 21 HA SER 21 8.646 11.779 -3.247 176 1HB SER 21 HB2 SER 21 9.535 10.475 -5.093 177 2HB SER 21 HB1 SER 21 8.246 9.285 -4.916 178 HG SER 21 HG SER 21 8.018 11.996 -5.762 179 H GLY 22 HN GLY 22 6.930 8.731 -2.665 180 1HA GLY 22 HA2 GLY 22 4.584 10.187 -1.850 181 2HA GLY 22 HA1 GLY 22 4.392 9.333 -3.372 182 H PHE 23 HN PHE 23 2.818 8.021 -2.552 183 HA PHE 23 HA PHE 23 3.810 5.914 -0.759 184 1HB PHE 23 HB2 PHE 23 1.545 5.801 0.253 185 2HB PHE 23 HB1 PHE 23 2.364 7.325 0.573 186 HD1 PHE 23 HD1 PHE 23 1.517 9.395 -0.364 187 HD2 PHE 23 HD2 PHE 23 -0.379 5.691 -1.258 188 HE1 PHE 23 HE1 PHE 23 -0.408 10.606 -1.276 189 HE2 PHE 23 HE2 PHE 23 -2.311 6.908 -2.166 190 HZ PHE 23 HZ PHE 23 -2.328 9.366 -2.177 191 H SER 24 HN SER 24 3.080 3.857 -1.186 192 HA SER 24 HA SER 24 1.351 3.536 -3.558 193 1HB SER 24 HB2 SER 24 3.548 2.752 -4.178 194 2HB SER 24 HB1 SER 24 3.711 1.845 -2.676 195 HG SER 24 HG SER 24 1.850 1.324 -4.769 196 H LEU 25 HN LEU 25 -0.392 2.357 -3.280 197 HA LEU 25 HA LEU 25 -0.743 1.063 -0.678 198 1HB LEU 25 HB2 LEU 25 -3.234 1.521 -1.155 199 2HB LEU 25 HB1 LEU 25 -2.225 2.816 -0.551 200 HG LEU 25 HG LEU 25 -2.859 2.520 -3.489 201 1HD1 LEU 25 HD11 LEU 25 -4.304 4.197 -1.450 202 2HD1 LEU 25 HD12 LEU 25 -4.918 2.686 -2.111 203 3HD1 LEU 25 HD13 LEU 25 -4.665 4.073 -3.171 204 1HD2 LEU 25 HD21 LEU 25 -2.275 4.848 -3.614 205 2HD2 LEU 25 HD22 LEU 25 -0.951 3.989 -2.827 206 3HD2 LEU 25 HD23 LEU 25 -2.083 4.937 -1.865 207 H ASP 26 HN ASP 26 -1.727 -0.983 -0.680 208 HA ASP 26 HA ASP 26 -0.839 -2.465 -2.902 209 1HB ASP 26 HB2 ASP 26 -1.354 -3.084 -0.290 210 2HB ASP 26 HB1 ASP 26 -2.605 -3.975 -1.161 211 H ASN 27 HN ASN 27 -1.893 -1.786 -4.661 212 HA ASN 27 HA ASN 27 -4.104 -3.077 -5.668 213 1HB ASN 27 HB2 ASN 27 -5.828 -1.299 -5.723 214 2HB ASN 27 HB1 ASN 27 -5.509 -1.794 -4.061 215 1HD2 ASN 27 HD21 ASN 27 -4.582 -0.367 -2.663 216 2HD2 ASN 27 HD22 ASN 27 -4.330 1.304 -3.033 217 H GLY 28 HN GLY 28 -2.067 -0.289 -5.465 218 1HA GLY 28 HA2 GLY 28 -1.657 -0.350 -8.354 219 2HA GLY 28 HA1 GLY 28 -2.179 1.176 -7.651 220 H GLU 29 HN GLU 29 -0.220 2.137 -8.351 221 HA GLU 29 HA GLU 29 2.241 1.070 -7.164 222 1HB GLU 29 HB2 GLU 29 1.794 2.953 -9.475 223 2HB GLU 29 HB1 GLU 29 3.380 2.540 -8.838 224 1HG GLU 29 HG2 GLU 29 2.994 0.191 -9.382 225 2HG GLU 29 HG1 GLU 29 1.399 0.613 -10.026 226 H LEU 30 HN LEU 30 3.787 3.383 -7.470 227 HA LEU 30 HA LEU 30 3.186 4.722 -4.997 228 1HB LEU 30 HB2 LEU 30 5.462 3.953 -5.726 229 2HB LEU 30 HB1 LEU 30 5.440 5.178 -6.963 230 HG LEU 30 HG LEU 30 5.413 5.710 -3.988 231 1HD1 LEU 30 HD11 LEU 30 7.709 6.540 -4.381 232 2HD1 LEU 30 HD12 LEU 30 7.629 5.874 -6.011 233 3HD1 LEU 30 HD13 LEU 30 7.531 4.803 -4.608 234 1HD2 LEU 30 HD21 LEU 30 5.922 7.998 -4.569 235 2HD2 LEU 30 HD22 LEU 30 4.364 7.508 -5.238 236 3HD2 LEU 30 HD23 LEU 30 5.784 7.606 -6.281 237 H ARG 31 HN ARG 31 2.178 6.600 -4.790 238 HA ARG 31 HA ARG 31 2.144 8.469 -7.063 239 1HB ARG 31 HB2 ARG 31 -0.074 7.600 -5.239 240 2HB ARG 31 HB1 ARG 31 -0.113 9.200 -5.970 241 1HG ARG 31 HG2 ARG 31 -0.031 8.227 -8.185 242 2HG ARG 31 HG1 ARG 31 0.102 6.611 -7.493 243 1HD ARG 31 HD2 ARG 31 -2.210 8.316 -6.702 244 2HD ARG 31 HD1 ARG 31 -2.210 7.594 -8.313 245 HE ARG 31 HE ARG 31 -1.610 5.650 -6.327 246 1HH1 ARG 31 HH11 ARG 31 -4.285 7.478 -7.675 247 2HH1 ARG 31 HH12 ARG 31 -5.452 6.227 -7.365 248 1HH2 ARG 31 HH21 ARG 31 -3.175 3.997 -5.944 249 2HH2 ARG 31 HH22 ARG 31 -4.835 4.261 -6.401 250 H SER 32 HN SER 32 2.776 10.525 -6.607 251 HA SER 32 HA SER 32 4.328 10.777 -4.222 252 1HB SER 32 HB2 SER 32 3.901 12.945 -6.259 253 2HB SER 32 HB1 SER 32 5.315 12.641 -5.238 254 HG SER 32 HG SER 32 5.980 11.125 -6.546 255 H TYR 33 HN TYR 33 4.370 12.603 -2.798 256 HA TYR 33 HA TYR 33 1.765 12.992 -1.645 257 1HB TYR 33 HB2 TYR 33 4.498 13.974 -0.792 258 2HB TYR 33 HB1 TYR 33 3.031 14.149 0.164 259 HD1 TYR 33 HD1 TYR 33 1.705 11.727 0.225 260 HD2 TYR 33 HD2 TYR 33 5.911 12.322 0.007 261 HE1 TYR 33 HE1 TYR 33 2.062 9.510 1.211 262 HE2 TYR 33 HE2 TYR 33 6.285 10.090 1.000 263 HH TYR 33 HH TYR 33 3.814 7.791 1.228 264 H GLN 34 HN GLN 34 1.831 14.332 -4.099 265 HA GLN 34 HA GLN 34 1.488 17.091 -3.206 266 1HB GLN 34 HB2 GLN 34 3.247 16.253 -5.508 267 2HB GLN 34 HB1 GLN 34 2.630 17.888 -5.324 268 1HG GLN 34 HG2 GLN 34 3.794 18.156 -3.241 269 2HG GLN 34 HG1 GLN 34 4.306 16.471 -3.266 270 1HE2 GLN 34 HE21 GLN 34 5.964 15.840 -4.604 271 2HE2 GLN 34 HE22 GLN 34 6.995 16.973 -5.409 272 H ASP 35 HN ASP 35 0.999 14.676 -5.723 273 HA ASP 35 HA ASP 35 -0.693 16.076 -7.424 274 1HB ASP 35 HB2 ASP 35 0.303 13.850 -7.891 275 2HB ASP 35 HB1 ASP 35 -0.817 13.132 -6.744 276 HA PRO 36 HA PRO 36 -4.220 16.952 -4.940 277 1HB PRO 36 HB2 PRO 36 -5.641 16.941 -7.548 278 2HB PRO 36 HB1 PRO 36 -5.547 18.206 -6.317 279 1HG PRO 36 HG2 PRO 36 -4.170 18.425 -8.577 280 2HG PRO 36 HG1 PRO 36 -3.458 18.928 -7.031 281 1HD PRO 36 HD2 PRO 36 -2.987 16.431 -8.616 282 2HD PRO 36 HD1 PRO 36 -1.822 17.448 -7.742 283 H SER 37 HN SER 37 -4.192 14.199 -7.148 284 HA SER 37 HA SER 37 -6.779 13.261 -6.212 285 1HB SER 37 HB2 SER 37 -4.691 11.864 -7.912 286 2HB SER 37 HB1 SER 37 -6.352 11.328 -7.660 287 HG SER 37 HG SER 37 -6.328 13.883 -8.515 288 H ASN 38 HN ASN 38 -3.398 12.836 -5.613 289 HA ASN 38 HA ASN 38 -3.655 10.510 -3.979 290 1HB ASN 38 HB2 ASN 38 -1.388 12.506 -4.038 291 2HB ASN 38 HB1 ASN 38 -1.327 10.860 -3.413 292 1HD2 ASN 38 HD21 ASN 38 0.388 11.885 -5.358 293 2HD2 ASN 38 HD22 ASN 38 0.114 11.025 -6.836 294 H ALA 39 HN ALA 39 -3.914 13.909 -3.536 295 HA ALA 39 HA ALA 39 -3.626 14.146 -0.770 296 1HB ALA 39 HB1 ALA 39 -4.978 16.160 -0.955 297 2HB ALA 39 HB2 ALA 39 -5.523 15.664 -2.558 298 3HB ALA 39 HB3 ALA 39 -3.825 16.059 -2.288 299 H GLN 40 HN GLN 40 -6.253 12.864 -2.682 300 HA GLN 40 HA GLN 40 -8.314 12.838 -0.781 301 1HB GLN 40 HB2 GLN 40 -8.774 12.308 -3.084 302 2HB GLN 40 HB1 GLN 40 -7.654 10.955 -3.047 303 1HG GLN 40 HG2 GLN 40 -9.772 10.726 -1.066 304 2HG GLN 40 HG1 GLN 40 -10.375 10.813 -2.720 305 1HE2 GLN 40 HE21 GLN 40 -8.537 8.954 -0.427 306 2HE2 GLN 40 HE22 GLN 40 -8.389 7.519 -1.391 307 H PHE 41 HN PHE 41 -5.787 10.472 -1.491 308 HA PHE 41 HA PHE 41 -6.556 8.598 0.490 309 1HB PHE 41 HB2 PHE 41 -3.805 9.037 -0.685 310 2HB PHE 41 HB1 PHE 41 -4.387 7.576 0.109 311 HD1 PHE 41 HD1 PHE 41 -6.028 6.137 -0.996 312 HD2 PHE 41 HD2 PHE 41 -4.361 9.534 -2.917 313 HE1 PHE 41 HE1 PHE 41 -6.817 5.300 -3.171 314 HE2 PHE 41 HE2 PHE 41 -5.138 8.705 -5.098 315 HZ PHE 41 HZ PHE 41 -6.371 6.577 -5.224 316 H LEU 42 HN LEU 42 -3.973 11.029 0.398 317 HA LEU 42 HA LEU 42 -2.912 10.750 2.918 318 1HB LEU 42 HB2 LEU 42 -3.443 13.313 1.420 319 2HB LEU 42 HB1 LEU 42 -2.341 13.144 2.769 320 HG LEU 42 HG LEU 42 -2.040 11.768 0.130 321 1HD1 LEU 42 HD11 LEU 42 -1.630 14.144 -0.076 322 2HD1 LEU 42 HD12 LEU 42 -0.105 13.262 -0.158 323 3HD1 LEU 42 HD13 LEU 42 -0.560 14.099 1.324 324 1HD2 LEU 42 HD21 LEU 42 0.100 11.025 0.959 325 2HD2 LEU 42 HD22 LEU 42 -1.173 10.493 2.054 326 3HD2 LEU 42 HD23 LEU 42 -0.166 11.876 2.480 327 H GLU 43 HN GLU 43 -5.733 12.631 1.948 328 HA GLU 43 HA GLU 43 -6.412 13.679 4.439 329 1HB GLU 43 HB2 GLU 43 -7.775 13.269 1.877 330 2HB GLU 43 HB1 GLU 43 -8.850 13.294 3.271 331 1HG GLU 43 HG2 GLU 43 -6.912 15.431 2.432 332 2HG GLU 43 HG1 GLU 43 -8.676 15.505 2.406 333 H SER 44 HN SER 44 -8.098 10.925 2.894 334 HA SER 44 HA SER 44 -9.541 10.228 5.165 335 1HB SER 44 HB2 SER 44 -8.664 8.485 2.853 336 2HB SER 44 HB1 SER 44 -9.938 8.077 4.006 337 HG SER 44 HG SER 44 -10.848 10.223 3.299 338 H ILE 45 HN ILE 45 -6.354 9.211 4.104 339 HA ILE 45 HA ILE 45 -6.116 7.062 5.961 340 HB ILE 45 HB ILE 45 -4.056 8.544 4.323 341 1HG1 ILE 45 HG12 ILE 45 -5.274 5.797 3.994 342 2HG1 ILE 45 HG11 ILE 45 -5.792 7.233 3.117 343 1HG2 ILE 45 HG21 ILE 45 -3.713 6.016 5.926 344 2HG2 ILE 45 HG22 ILE 45 -2.949 7.572 6.256 345 3HG2 ILE 45 HG23 ILE 45 -2.540 6.681 4.787 346 1HD1 ILE 45 HD11 ILE 45 -3.054 5.996 2.981 347 2HD1 ILE 45 HD12 ILE 45 -3.611 7.399 2.072 348 3HD1 ILE 45 HD13 ILE 45 -4.331 5.814 1.779 349 H ARG 46 HN ARG 46 -5.287 10.488 6.047 350 HA ARG 46 HA ARG 46 -3.826 10.280 8.514 351 1HB ARG 46 HB2 ARG 46 -3.415 12.536 8.315 352 2HB ARG 46 HB1 ARG 46 -3.754 12.143 6.638 353 1HG ARG 46 HG2 ARG 46 -6.215 12.779 7.355 354 2HG ARG 46 HG1 ARG 46 -5.358 13.704 8.586 355 1HD ARG 46 HD2 ARG 46 -4.996 13.910 5.601 356 2HD ARG 46 HD1 ARG 46 -5.811 15.077 6.636 357 HE ARG 46 HE ARG 46 -3.156 14.711 7.521 358 1HH1 ARG 46 HH11 ARG 46 -5.052 16.203 4.972 359 2HH1 ARG 46 HH12 ARG 46 -3.807 17.339 4.528 360 1HH2 ARG 46 HH21 ARG 46 -1.516 16.233 6.970 361 2HH2 ARG 46 HH22 ARG 46 -1.801 17.362 5.678 362 H ARG 47 HN ARG 47 -7.141 10.754 7.568 363 HA ARG 47 HA ARG 47 -8.070 11.549 10.165 364 1HB ARG 47 HB2 ARG 47 -9.710 10.395 7.919 365 2HB ARG 47 HB1 ARG 47 -10.290 11.352 9.268 366 1HG ARG 47 HG2 ARG 47 -8.595 12.289 6.965 367 2HG ARG 47 HG1 ARG 47 -10.269 12.723 7.315 368 1HD ARG 47 HD2 ARG 47 -9.628 13.948 9.250 369 2HD ARG 47 HD1 ARG 47 -7.985 13.311 9.176 370 HE ARG 47 HE ARG 47 -8.570 14.713 6.790 371 1HH1 ARG 47 HH11 ARG 47 -7.993 15.296 10.194 372 2HH1 ARG 47 HH12 ARG 47 -7.255 16.851 9.937 373 1HH2 ARG 47 HH21 ARG 47 -7.565 16.734 6.437 374 2HH2 ARG 47 HH22 ARG 47 -7.008 17.670 7.800 375 H GLY 48 HN GLY 48 -7.258 8.596 8.669 376 1HA GLY 48 HA2 GLY 48 -7.038 6.545 9.818 377 2HA GLY 48 HA1 GLY 48 -8.188 7.121 11.017 378 H GLU 49 HN GLU 49 -9.088 7.709 7.808 379 HA GLU 49 HA GLU 49 -11.183 5.676 8.013 380 1HB GLU 49 HB2 GLU 49 -10.933 8.047 6.160 381 2HB GLU 49 HB1 GLU 49 -12.312 6.961 6.261 382 1HG GLU 49 HG2 GLU 49 -12.694 7.661 8.570 383 2HG GLU 49 HG1 GLU 49 -11.319 8.759 8.456 384 H VAL 50 HN VAL 50 -11.884 4.798 5.802 385 HA VAL 50 HA VAL 50 -9.475 3.717 4.528 386 HB VAL 50 HB VAL 50 -12.326 2.712 4.387 387 1HG1 VAL 50 HG11 VAL 50 -11.313 0.695 3.398 388 2HG1 VAL 50 HG12 VAL 50 -9.749 1.507 3.385 389 3HG1 VAL 50 HG13 VAL 50 -11.070 2.126 2.395 390 1HG2 VAL 50 HG21 VAL 50 -11.390 2.453 6.624 391 2HG2 VAL 50 HG22 VAL 50 -9.960 1.673 5.948 392 3HG2 VAL 50 HG23 VAL 50 -11.533 0.886 5.826 393 HA PRO 51 HA PRO 51 -10.279 6.460 1.017 394 1HB PRO 51 HB2 PRO 51 -8.193 4.634 -0.073 395 2HB PRO 51 HB1 PRO 51 -8.261 6.398 -0.083 396 1HG PRO 51 HG2 PRO 51 -6.636 5.092 1.550 397 2HG PRO 51 HG1 PRO 51 -7.464 6.574 2.058 398 1HD PRO 51 HD2 PRO 51 -8.035 3.735 2.776 399 2HD PRO 51 HD1 PRO 51 -8.205 5.200 3.762 400 H ALA 52 HN ALA 52 -11.444 6.205 -0.821 401 HA ALA 52 HA ALA 52 -13.062 3.948 -1.134 402 1HB ALA 52 HB1 ALA 52 -12.526 6.158 -3.114 403 2HB ALA 52 HB2 ALA 52 -13.731 6.193 -1.828 404 3HB ALA 52 HB3 ALA 52 -13.888 5.040 -3.152 405 H GLU 53 HN GLU 53 -9.967 4.712 -2.441 406 HA GLU 53 HA GLU 53 -9.802 3.105 -4.692 407 1HB GLU 53 HB2 GLU 53 -8.055 4.678 -3.805 408 2HB GLU 53 HB1 GLU 53 -7.654 3.466 -2.601 409 1HG GLU 53 HG2 GLU 53 -6.061 3.271 -4.312 410 2HG GLU 53 HG1 GLU 53 -7.158 1.901 -4.492 411 H LEU 54 HN LEU 54 -9.358 2.288 -1.297 412 HA LEU 54 HA LEU 54 -8.666 -0.456 -1.857 413 1HB LEU 54 HB2 LEU 54 -9.401 0.444 0.884 414 2HB LEU 54 HB1 LEU 54 -8.099 -0.609 0.363 415 HG LEU 54 HG LEU 54 -8.124 2.389 0.108 416 1HD1 LEU 54 HD11 LEU 54 -7.963 1.631 2.419 417 2HD1 LEU 54 HD12 LEU 54 -6.422 2.298 1.875 418 3HD1 LEU 54 HD13 LEU 54 -6.638 0.549 1.986 419 1HD2 LEU 54 HD21 LEU 54 -6.823 1.434 -1.655 420 2HD2 LEU 54 HD22 LEU 54 -6.058 0.300 -0.540 421 3HD2 LEU 54 HD23 LEU 54 -5.709 2.028 -0.421 422 H ARG 55 HN ARG 55 -11.370 1.477 -0.963 423 HA ARG 55 HA ARG 55 -13.164 -0.552 -0.156 424 1HB ARG 55 HB2 ARG 55 -13.428 1.948 0.166 425 2HB ARG 55 HB1 ARG 55 -13.878 2.041 -1.531 426 1HG ARG 55 HG2 ARG 55 -15.865 2.022 -0.221 427 2HG ARG 55 HG1 ARG 55 -15.744 0.469 -1.052 428 1HD ARG 55 HD2 ARG 55 -14.751 -0.500 0.987 429 2HD ARG 55 HD1 ARG 55 -15.006 1.038 1.810 430 HE ARG 55 HE ARG 55 -17.345 -0.252 0.633 431 1HH1 ARG 55 HH11 ARG 55 -15.502 0.531 3.491 432 2HH1 ARG 55 HH12 ARG 55 -16.799 0.165 4.591 433 1HH2 ARG 55 HH21 ARG 55 -19.067 -0.705 2.063 434 2HH2 ARG 55 HH22 ARG 55 -18.835 -0.506 3.777 435 H ARG 56 HN ARG 56 -12.222 0.744 -3.273 436 HA ARG 56 HA ARG 56 -14.120 -0.887 -4.710 437 1HB ARG 56 HB2 ARG 56 -11.818 0.793 -5.725 438 2HB ARG 56 HB1 ARG 56 -13.035 0.020 -6.731 439 1HG ARG 56 HG2 ARG 56 -13.514 2.198 -4.709 440 2HG ARG 56 HG1 ARG 56 -13.526 2.375 -6.464 441 1HD ARG 56 HD2 ARG 56 -15.402 0.606 -4.896 442 2HD ARG 56 HD1 ARG 56 -15.793 2.228 -5.465 443 HE ARG 56 HE ARG 56 -14.920 0.604 -7.623 444 1HH1 ARG 56 HH11 ARG 56 -17.651 1.007 -5.456 445 2HH1 ARG 56 HH12 ARG 56 -18.824 0.538 -6.653 446 1HH2 ARG 56 HH21 ARG 56 -16.450 -0.051 -9.174 447 2HH2 ARG 56 HH22 ARG 56 -18.136 -0.086 -8.764 448 H LEU 57 HN LEU 57 -12.348 -2.244 -2.971 449 HA LEU 57 HA LEU 57 -11.327 -4.201 -4.858 450 1HB LEU 57 HB2 LEU 57 -9.455 -2.645 -4.179 451 2HB LEU 57 HB1 LEU 57 -9.686 -3.198 -2.534 452 HG LEU 57 HG LEU 57 -9.070 -5.168 -4.722 453 1HD1 LEU 57 HD11 LEU 57 -6.693 -4.913 -4.196 454 2HD1 LEU 57 HD12 LEU 57 -7.075 -3.551 -3.142 455 3HD1 LEU 57 HD13 LEU 57 -7.368 -3.431 -4.876 456 1HD2 LEU 57 HD21 LEU 57 -9.788 -5.993 -2.507 457 2HD2 LEU 57 HD22 LEU 57 -8.432 -5.136 -1.770 458 3HD2 LEU 57 HD23 LEU 57 -8.131 -6.459 -2.898 459 H ALA 58 HN ALA 58 -11.370 -3.422 -1.401 460 HA ALA 58 HA ALA 58 -12.322 -6.098 -0.763 461 1HB ALA 58 HB1 ALA 58 -10.557 -5.113 0.596 462 2HB ALA 58 HB2 ALA 58 -11.999 -5.431 1.557 463 3HB ALA 58 HB3 ALA 58 -11.631 -3.786 1.037 464 H HIS 59 HN HIS 59 -14.268 -6.531 0.269 465 HA HIS 59 HA HIS 59 -16.348 -4.674 -0.647 466 1HB HIS 59 HB2 HIS 59 -16.706 -7.576 0.104 467 2HB HIS 59 HB1 HIS 59 -17.789 -6.566 -0.850 468 HD1 HIS 59 HD1 HIS 59 -16.926 -5.934 -3.305 469 HD2 HIS 59 HD2 HIS 59 -14.792 -8.911 -1.330 470 HE1 HIS 59 HE1 HIS 59 -15.582 -7.105 -5.082 471 HE2 HIS 59 HE2 HIS 59 -14.473 -9.030 -3.892 472 H GLY 60 HN GLY 60 -17.929 -3.904 0.665 473 1HA GLY 60 HA2 GLY 60 -19.331 -3.678 2.468 474 2HA GLY 60 HA1 GLY 60 -18.803 -5.265 2.999 475 H GLY 61 HN GLY 61 -16.016 -3.596 2.774 476 1HA GLY 61 HA2 GLY 61 -15.107 -2.008 4.408 477 2HA GLY 61 HA1 GLY 61 -16.226 -2.687 5.573 478 H GLN 62 HN GLN 62 -15.108 -5.120 3.686 479 HA GLN 62 HA GLN 62 -13.341 -6.309 5.506 480 1HB GLN 62 HB2 GLN 62 -14.631 -7.556 3.871 481 2HB GLN 62 HB1 GLN 62 -13.873 -6.680 2.562 482 1HG GLN 62 HG2 GLN 62 -11.728 -7.753 3.150 483 2HG GLN 62 HG1 GLN 62 -12.581 -8.682 4.382 484 1HE2 GLN 62 HE21 GLN 62 -14.021 -10.263 3.756 485 2HE2 GLN 62 HE22 GLN 62 -14.019 -10.945 2.171 486 H VAL 63 HN VAL 63 -12.406 -3.707 5.285 487 HA VAL 63 HA VAL 63 -9.846 -4.039 4.002 488 HB VAL 63 HB VAL 63 -11.128 -3.317 2.105 489 1HG1 VAL 63 HG11 VAL 63 -12.290 -1.154 2.048 490 2HG1 VAL 63 HG12 VAL 63 -11.964 -0.947 3.770 491 3HG1 VAL 63 HG13 VAL 63 -13.005 -2.261 3.222 492 1HG2 VAL 63 HG21 VAL 63 -9.456 -1.055 3.180 493 2HG2 VAL 63 HG22 VAL 63 -9.885 -1.320 1.489 494 3HG2 VAL 63 HG23 VAL 63 -8.852 -2.477 2.330 495 H ASN 64 HN ASN 64 -8.440 -3.287 5.424 496 HA ASN 64 HA ASN 64 -8.805 -0.509 6.288 497 1HB ASN 64 HB2 ASN 64 -9.013 -2.294 8.142 498 2HB ASN 64 HB1 ASN 64 -7.286 -2.541 7.913 499 1HD2 ASN 64 HD21 ASN 64 -9.735 -0.218 8.815 500 2HD2 ASN 64 HD22 ASN 64 -8.684 0.865 9.669 501 H LEU 65 HN LEU 65 -6.610 0.535 6.639 502 HA LEU 65 HA LEU 65 -4.862 -0.444 4.498 503 1HB LEU 65 HB2 LEU 65 -4.449 1.702 3.885 504 2HB LEU 65 HB1 LEU 65 -5.999 1.958 4.654 505 HG LEU 65 HG LEU 65 -3.956 2.133 6.632 506 1HD1 LEU 65 HD11 LEU 65 -2.439 2.684 4.814 507 2HD1 LEU 65 HD12 LEU 65 -2.772 4.114 5.791 508 3HD1 LEU 65 HD13 LEU 65 -3.558 3.912 4.226 509 1HD2 LEU 65 HD21 LEU 65 -4.929 4.425 6.839 510 2HD2 LEU 65 HD22 LEU 65 -6.123 3.129 6.869 511 3HD2 LEU 65 HD23 LEU 65 -5.898 4.083 5.403 512 H ASP 66 HN ASP 66 -2.574 -0.277 4.772 513 HA ASP 66 HA ASP 66 -1.764 -0.432 7.600 514 1HB ASP 66 HB2 ASP 66 -1.832 -2.567 5.940 515 2HB ASP 66 HB1 ASP 66 -0.224 -1.960 5.565 516 H MET 67 HN MET 67 0.635 0.014 7.886 517 HA MET 67 HA MET 67 1.556 1.927 5.845 518 1HB MET 67 HB2 MET 67 1.644 2.257 8.842 519 2HB MET 67 HB1 MET 67 2.515 3.287 7.717 520 1HG MET 67 HG2 MET 67 0.392 3.974 6.712 521 2HG MET 67 HG1 MET 67 -0.472 2.954 7.862 522 1HE MET 67 HE1 MET 67 -1.219 6.647 9.040 523 2HE MET 67 HE2 MET 67 -1.927 5.137 8.467 524 3HE MET 67 HE3 MET 67 -0.960 6.128 7.375 525 H GLU 68 HN GLU 68 3.560 1.708 5.167 526 HA GLU 68 HA GLU 68 5.513 0.202 6.765 527 1HB GLU 68 HB2 GLU 68 4.241 -1.130 4.884 528 2HB GLU 68 HB1 GLU 68 5.301 -0.241 3.800 529 1HG GLU 68 HG2 GLU 68 7.244 -1.178 4.863 530 2HG GLU 68 HG1 GLU 68 6.233 -1.991 6.057 531 H ASP 69 HN ASP 69 7.636 0.988 6.532 532 HA ASP 69 HA ASP 69 7.784 3.536 5.060 533 1HB ASP 69 HB2 ASP 69 8.276 3.972 7.306 534 2HB ASP 69 HB1 ASP 69 9.207 2.493 7.493 535 H HIS 70 HN HIS 70 8.940 3.693 3.300 536 HA HIS 70 HA HIS 70 11.458 2.251 3.032 537 1HB HIS 70 HB2 HIS 70 9.250 2.071 0.970 538 2HB HIS 70 HB1 HIS 70 10.917 1.597 0.678 539 HD1 HIS 70 HD1 HIS 70 11.699 -0.662 1.667 540 HD2 HIS 70 HD2 HIS 70 7.750 0.311 2.535 541 HE1 HIS 70 HE1 HIS 70 10.654 -2.765 2.552 542 HE2 HIS 70 HE2 HIS 70 8.231 -2.193 2.925 543 H ARG 71 HN ARG 71 10.776 4.967 3.535 544 HA ARG 71 HA ARG 71 10.759 6.610 1.265 545 1HB ARG 71 HB2 ARG 71 12.015 7.227 3.944 546 2HB ARG 71 HB1 ARG 71 11.426 8.388 2.758 547 1HG ARG 71 HG2 ARG 71 9.199 7.884 3.186 548 2HG ARG 71 HG1 ARG 71 9.600 6.355 3.967 549 1HD ARG 71 HD2 ARG 71 8.982 7.825 5.696 550 2HD ARG 71 HD1 ARG 71 10.740 7.720 5.761 551 HE ARG 71 HE ARG 71 10.364 9.899 4.243 552 1HH1 ARG 71 HH11 ARG 71 9.004 8.894 7.308 553 2HH1 ARG 71 HH12 ARG 71 8.741 10.515 7.877 554 1HH2 ARG 71 HH21 ARG 71 9.997 12.048 4.968 555 2HH2 ARG 71 HH22 ARG 71 9.308 12.312 6.547 556 H ASP 72 HN ASP 72 13.334 5.041 2.999 557 HA ASP 72 HA ASP 72 15.454 6.415 1.605 558 1HB ASP 72 HB2 ASP 72 15.803 5.710 3.892 559 2HB ASP 72 HB1 ASP 72 15.382 4.051 3.499 560 H GLU 73 HN GLU 73 13.341 4.013 0.783 561 HA GLU 73 HA GLU 73 15.213 2.539 -0.915 562 1HB GLU 73 HB2 GLU 73 12.482 2.003 0.194 563 2HB GLU 73 HB1 GLU 73 13.073 1.092 -1.178 564 1HG GLU 73 HG2 GLU 73 14.510 1.289 1.451 565 2HG GLU 73 HG1 GLU 73 13.382 -0.001 1.039 566 H ASP 74 HN ASP 74 12.139 4.237 -0.978 567 HA ASP 74 HA ASP 74 10.812 5.067 -2.589 568 1HB ASP 74 HB2 ASP 74 13.021 5.997 -3.556 569 2HB ASP 74 HB1 ASP 74 12.906 4.654 -4.691 570 H PHE 75 HN PHE 75 10.251 4.347 -5.158 571 HA PHE 75 HA PHE 75 8.526 2.284 -4.384 572 1HB PHE 75 HB2 PHE 75 8.096 4.029 -6.123 573 2HB PHE 75 HB1 PHE 75 9.098 3.091 -7.229 574 HD1 PHE 75 HD1 PHE 75 6.504 2.126 -4.744 575 HD2 PHE 75 HD2 PHE 75 7.750 2.093 -8.810 576 HE1 PHE 75 HE1 PHE 75 4.519 0.814 -5.328 577 HE2 PHE 75 HE2 PHE 75 5.772 0.757 -9.404 578 HZ PHE 75 HZ PHE 75 4.155 0.114 -7.663 579 H VAL 76 HN VAL 76 8.432 0.112 -4.727 580 HA VAL 76 HA VAL 76 10.259 -1.226 -6.434 581 HB VAL 76 HB VAL 76 11.590 -0.426 -4.381 582 1HG1 VAL 76 HG11 VAL 76 10.259 -2.849 -3.193 583 2HG1 VAL 76 HG12 VAL 76 10.027 -1.176 -2.683 584 3HG1 VAL 76 HG13 VAL 76 11.600 -1.949 -2.480 585 1HG2 VAL 76 HG21 VAL 76 13.041 -2.383 -4.484 586 2HG2 VAL 76 HG22 VAL 76 12.455 -1.961 -6.092 587 3HG2 VAL 76 HG23 VAL 76 11.743 -3.319 -5.224 588 H LYS 77 HN LYS 77 7.517 -1.293 -4.431 589 HA LYS 77 HA LYS 77 7.720 -4.092 -3.952 590 1HB LYS 77 HB2 LYS 77 5.827 -2.054 -2.917 591 2HB LYS 77 HB1 LYS 77 5.547 -3.772 -2.656 592 1HG LYS 77 HG2 LYS 77 7.667 -3.957 -1.502 593 2HG LYS 77 HG1 LYS 77 8.032 -2.267 -1.851 594 1HD LYS 77 HD2 LYS 77 7.268 -2.339 0.382 595 2HD LYS 77 HD1 LYS 77 5.943 -1.677 -0.576 596 1HE LYS 77 HE2 LYS 77 4.773 -3.182 0.632 597 2HE LYS 77 HE1 LYS 77 5.259 -4.237 -0.694 598 1HZ LYS 77 HZ1 LYS 77 6.583 -4.017 1.967 599 2HZ LYS 77 HZ2 LYS 77 7.152 -4.968 0.683 600 3HZ LYS 77 HZ3 LYS 77 5.664 -5.326 1.402 601 HA PRO 78 HA PRO 78 3.844 -4.638 -6.676 602 1HB PRO 78 HB2 PRO 78 3.103 -1.931 -7.558 603 2HB PRO 78 HB1 PRO 78 2.084 -3.199 -6.863 604 1HG PRO 78 HG2 PRO 78 2.707 -0.996 -5.484 605 2HG PRO 78 HG1 PRO 78 2.587 -2.580 -4.692 606 1HD PRO 78 HD2 PRO 78 5.048 -1.112 -5.587 607 2HD PRO 78 HD1 PRO 78 4.735 -1.949 -4.060 608 H LYS 79 HN LYS 79 6.538 -4.394 -7.499 609 HA LYS 79 HA LYS 79 6.212 -3.464 -10.274 610 1HB LYS 79 HB2 LYS 79 8.772 -3.685 -8.687 611 2HB LYS 79 HB1 LYS 79 8.656 -3.189 -10.370 612 1HG LYS 79 HG2 LYS 79 7.054 -1.362 -9.443 613 2HG LYS 79 HG1 LYS 79 7.836 -1.726 -7.904 614 1HD LYS 79 HD2 LYS 79 8.968 0.119 -8.996 615 2HD LYS 79 HD1 LYS 79 10.028 -1.294 -8.945 616 1HE LYS 79 HE2 LYS 79 9.535 -1.804 -11.248 617 2HE LYS 79 HE1 LYS 79 8.338 -0.513 -11.317 618 1HZ LYS 79 HZ1 LYS 79 10.117 1.090 -10.946 619 2HZ LYS 79 HZ2 LYS 79 10.387 0.176 -12.346 620 3HZ LYS 79 HZ3 LYS 79 11.266 -0.159 -10.936 621 H GLY 80 HN GLY 80 6.781 -6.179 -8.278 622 1HA GLY 80 HA2 GLY 80 6.208 -8.282 -9.447 623 2HA GLY 80 HA1 GLY 80 7.291 -7.758 -10.726 624 H ALA 81 HN ALA 81 9.538 -7.010 -9.490 625 HA ALA 81 HA ALA 81 10.773 -9.447 -8.822 626 1HB ALA 81 HB1 ALA 81 12.011 -7.578 -9.784 627 2HB ALA 81 HB2 ALA 81 12.736 -8.091 -8.260 628 3HB ALA 81 HB3 ALA 81 11.746 -6.632 -8.318 629 H PHE 82 HN PHE 82 11.716 -10.116 -6.785 630 HA PHE 82 HA PHE 82 10.128 -9.102 -4.527 631 1HB PHE 82 HB2 PHE 82 9.627 -11.457 -5.277 632 2HB PHE 82 HB1 PHE 82 11.256 -11.894 -4.770 633 HD1 PHE 82 HD1 PHE 82 11.605 -12.627 -2.612 634 HD2 PHE 82 HD2 PHE 82 8.158 -10.289 -3.479 635 HE1 PHE 82 HE1 PHE 82 10.798 -12.972 -0.315 636 HE2 PHE 82 HE2 PHE 82 7.345 -10.629 -1.184 637 HZ PHE 82 HZ PHE 82 8.666 -11.970 0.404 638 H LYS 83 HN LYS 83 11.958 -7.527 -4.441 639 HA LYS 83 HA LYS 83 13.952 -8.616 -2.549 640 1HB LYS 83 HB2 LYS 83 15.500 -6.941 -3.194 641 2HB LYS 83 HB1 LYS 83 14.847 -7.558 -4.708 642 1HG LYS 83 HG2 LYS 83 13.419 -5.666 -4.954 643 2HG LYS 83 HG1 LYS 83 13.801 -5.103 -3.323 644 1HD LYS 83 HD2 LYS 83 15.805 -5.342 -5.573 645 2HD LYS 83 HD1 LYS 83 14.981 -3.848 -5.119 646 1HE LYS 83 HE2 LYS 83 16.828 -5.478 -3.369 647 2HE LYS 83 HE1 LYS 83 17.201 -3.929 -4.123 648 1HZ LYS 83 HZ1 LYS 83 16.610 -3.558 -1.847 649 2HZ LYS 83 HZ2 LYS 83 15.169 -4.432 -2.019 650 3HZ LYS 83 HZ3 LYS 83 15.360 -2.953 -2.822 651 H ALA 84 HN ALA 84 11.193 -6.897 -2.966 652 HA ALA 84 HA ALA 84 11.501 -4.665 -1.287 653 1HB ALA 84 HB1 ALA 84 9.073 -4.547 -1.336 654 2HB ALA 84 HB2 ALA 84 8.997 -6.177 -2.007 655 3HB ALA 84 HB3 ALA 84 9.719 -4.869 -2.945 656 H PHE 85 HN PHE 85 11.910 -4.702 0.802 657 HA PHE 85 HA PHE 85 11.351 -6.995 2.405 658 1HB PHE 85 HB2 PHE 85 12.389 -4.248 3.132 659 2HB PHE 85 HB1 PHE 85 12.249 -5.581 4.273 660 HD1 PHE 85 HD1 PHE 85 13.684 -7.557 4.059 661 HD2 PHE 85 HD2 PHE 85 14.148 -4.178 1.514 662 HE1 PHE 85 HE1 PHE 85 15.914 -8.361 3.400 663 HE2 PHE 85 HE2 PHE 85 16.378 -4.977 0.853 664 HZ PHE 85 HZ PHE 85 17.262 -7.071 1.797 665 H THR 86 HN THR 86 10.272 -6.457 4.699 666 HA THR 86 HA THR 86 8.090 -4.622 4.579 667 HB THR 86 HB THR 86 7.087 -6.249 3.145 668 HG1 THR 86 HG1 THR 86 5.712 -5.346 4.767 669 1HG2 THR 86 HG21 THR 86 6.726 -8.593 3.802 670 2HG2 THR 86 HG22 THR 86 7.676 -8.323 5.264 671 3HG2 THR 86 HG23 THR 86 8.443 -8.204 3.680 672 H GLY 87 HN GLY 87 8.485 -3.838 6.556 673 1HA GLY 87 HA2 GLY 87 7.917 -3.681 8.781 674 2HA GLY 87 HA1 GLY 87 7.350 -5.339 8.716 675 H GLU 88 HN GLU 88 9.058 -7.025 8.734 676 HA GLU 88 HA GLU 88 10.730 -6.517 11.010 677 1HB GLU 88 HB2 GLU 88 10.432 -9.003 9.316 678 2HB GLU 88 HB1 GLU 88 11.270 -8.914 10.859 679 1HG GLU 88 HG2 GLU 88 8.336 -8.407 10.422 680 2HG GLU 88 HG1 GLU 88 9.044 -9.880 11.081 681 H GLY 89 HN GLY 89 12.015 -4.869 9.830 682 1HA GLY 89 HA2 GLY 89 14.312 -4.513 9.383 683 2HA GLY 89 HA1 GLY 89 14.416 -6.150 8.748 684 H GLN 90 HN GLN 90 13.984 -2.858 8.006 685 HA GLN 90 HA GLN 90 12.975 -3.404 5.317 686 1HB GLN 90 HB2 GLN 90 13.642 -0.765 6.644 687 2HB GLN 90 HB1 GLN 90 12.836 -0.963 5.095 688 1HG GLN 90 HG2 GLN 90 11.733 -1.937 7.720 689 2HG GLN 90 HG1 GLN 90 11.319 -0.398 6.973 690 1HE2 GLN 90 HE21 GLN 90 9.152 -0.952 6.827 691 2HE2 GLN 90 HE22 GLN 90 8.577 -2.094 5.662 692 H LYS 91 HN LYS 91 15.841 -2.277 6.999 693 HA LYS 91 HA LYS 91 17.548 -3.240 4.945 694 1HB LYS 91 HB2 LYS 91 16.955 -1.200 3.807 695 2HB LYS 91 HB1 LYS 91 17.302 -0.241 5.239 696 1HG LYS 91 HG2 LYS 91 19.666 -0.855 5.064 697 2HG LYS 91 HG1 LYS 91 19.305 -1.804 3.620 698 1HD LYS 91 HD2 LYS 91 18.880 1.167 3.928 699 2HD LYS 91 HD1 LYS 91 20.209 0.404 3.054 700 1HE LYS 91 HE2 LYS 91 18.621 -0.616 1.511 701 2HE LYS 91 HE1 LYS 91 17.281 0.105 2.400 702 1HZ LYS 91 HZ1 LYS 91 17.795 1.385 0.437 703 2HZ LYS 91 HZ2 LYS 91 19.403 1.587 0.940 704 3HZ LYS 91 HZ3 LYS 91 18.141 2.300 1.826 705 H LEU 92 HN LEU 92 18.742 -4.289 6.387 706 HA LEU 92 HA LEU 92 20.109 -2.670 8.440 707 1HB LEU 92 HB2 LEU 92 18.690 -4.516 9.311 708 2HB LEU 92 HB1 LEU 92 19.651 -5.658 8.394 709 HG LEU 92 HG LEU 92 21.640 -5.020 9.732 710 1HD1 LEU 92 HD11 LEU 92 21.349 -3.706 11.762 711 2HD1 LEU 92 HD12 LEU 92 19.663 -3.414 11.345 712 3HD1 LEU 92 HD13 LEU 92 20.949 -2.756 10.333 713 1HD2 LEU 92 HD21 LEU 92 19.265 -5.922 11.357 714 2HD2 LEU 92 HD22 LEU 92 20.962 -6.165 11.772 715 3HD2 LEU 92 HD23 LEU 92 20.279 -6.957 10.351 716 H GLY 93 HN GLY 93 20.389 -4.642 5.647 717 1HA GLY 93 HA2 GLY 93 22.979 -3.966 4.986 718 2HA GLY 93 HA1 GLY 93 23.119 -5.426 5.960 719 H SER 94 HN SER 94 23.288 -4.564 2.933 720 HA SER 94 HA SER 94 21.439 -6.583 1.867 721 1HB SER 94 HB2 SER 94 21.287 -4.264 0.963 722 2HB SER 94 HB1 SER 94 22.946 -4.409 0.388 723 HG SER 94 HG SER 94 22.188 -6.262 -0.836 724 H THR 95 HN THR 95 23.833 -7.385 3.188 725 HA THR 95 HA THR 95 25.935 -7.957 1.406 726 HB THR 95 HB THR 95 26.256 -9.929 3.153 727 HG1 THR 95 HG1 THR 95 24.570 -9.918 4.462 728 1HG2 THR 95 HG21 THR 95 26.551 -7.018 3.905 729 2HG2 THR 95 HG22 THR 95 27.690 -7.941 2.927 730 3HG2 THR 95 HG23 THR 95 27.428 -8.373 4.615 731 H ALA 96 HN ALA 96 22.958 -9.626 2.195 732 HA ALA 96 HA ALA 96 23.402 -11.348 -0.159 733 1HB ALA 96 HB1 ALA 96 21.885 -12.034 2.363 734 2HB ALA 96 HB2 ALA 96 23.440 -12.702 1.869 735 3HB ALA 96 HB3 ALA 96 21.992 -13.049 0.924 736 HA PRO 97 HA PRO 97 20.111 -8.411 -1.287 737 1HB PRO 97 HB2 PRO 97 20.485 -9.858 -3.860 738 2HB PRO 97 HB1 PRO 97 20.450 -8.118 -3.536 739 1HG PRO 97 HG2 PRO 97 22.749 -9.355 -4.042 740 2HG PRO 97 HG1 PRO 97 22.655 -8.075 -2.817 741 1HD PRO 97 HD2 PRO 97 22.776 -11.043 -2.452 742 2HD PRO 97 HD1 PRO 97 23.555 -9.759 -1.504 743 H GLN 98 HN GLN 98 20.068 -11.664 -2.771 744 HA GLN 98 HA GLN 98 17.848 -12.623 -1.396 745 1HB GLN 98 HB2 GLN 98 16.617 -10.833 -2.619 746 2HB GLN 98 HB1 GLN 98 17.102 -11.575 -4.137 747 1HG GLN 98 HG2 GLN 98 14.892 -12.272 -3.713 748 2HG GLN 98 HG1 GLN 98 15.929 -13.659 -3.379 749 1HE2 GLN 98 HE21 GLN 98 13.768 -11.318 -2.073 750 2HE2 GLN 98 HE22 GLN 98 13.660 -11.994 -0.475 751 H VAL 99 HN VAL 99 18.176 -12.735 -4.895 752 HA VAL 99 HA VAL 99 19.716 -15.135 -4.930 753 HB VAL 99 HB VAL 99 17.569 -16.107 -4.251 754 1HG1 VAL 99 HG11 VAL 99 15.619 -16.026 -5.725 755 2HG1 VAL 99 HG12 VAL 99 16.473 -14.912 -6.794 756 3HG1 VAL 99 HG13 VAL 99 16.064 -14.418 -5.149 757 1HG2 VAL 99 HG21 VAL 99 17.320 -17.757 -6.054 758 2HG2 VAL 99 HG22 VAL 99 19.014 -17.438 -5.677 759 3HG2 VAL 99 HG23 VAL 99 18.281 -16.731 -7.115 760 H LEU 100 HN LEU 100 17.696 -12.776 -6.550 761 HA LEU 100 HA LEU 100 18.236 -13.277 -9.221 762 1HB LEU 100 HB2 LEU 100 16.717 -11.516 -8.231 763 2HB LEU 100 HB1 LEU 100 18.148 -10.533 -7.986 764 HG LEU 100 HG LEU 100 18.543 -10.863 -10.507 765 1HD1 LEU 100 HD11 LEU 100 15.619 -11.541 -10.317 766 2HD1 LEU 100 HD12 LEU 100 16.914 -12.601 -10.876 767 3HD1 LEU 100 HD13 LEU 100 16.485 -11.164 -11.806 768 1HD2 LEU 100 HD21 LEU 100 17.148 -8.925 -11.017 769 2HD2 LEU 100 HD22 LEU 100 17.953 -8.733 -9.460 770 3HD2 LEU 100 HD23 LEU 100 16.246 -9.175 -9.523 771 H SER 101 HN SER 101 19.874 -10.625 -7.539 772 HA SER 101 HA SER 101 22.293 -11.172 -9.070 773 1HB SER 101 HB2 SER 101 21.719 -8.882 -7.171 774 2HB SER 101 HB1 SER 101 23.022 -8.977 -8.359 775 HG SER 101 HG SER 101 21.046 -9.303 -9.865 776 H THR 102 HN THR 102 22.101 -13.221 -7.528 777 HA THR 102 HA THR 102 24.069 -12.795 -5.425 778 HB THR 102 HB THR 102 21.511 -14.314 -4.873 779 HG1 THR 102 HG1 THR 102 22.119 -11.626 -4.700 780 1HG2 THR 102 HG21 THR 102 23.750 -13.393 -3.065 781 2HG2 THR 102 HG22 THR 102 23.465 -15.052 -3.591 782 3HG2 THR 102 HG23 THR 102 22.293 -14.244 -2.552 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -30.979 15.334 -2.831 2 2H GLY 1 HT2 GLY 1 -29.701 16.135 -3.609 3 3H GLY 1 HT3 GLY 1 -29.597 15.785 -1.956 4 1HA GLY 1 HA1 GLY 1 -29.552 13.427 -2.407 5 2HA GLY 1 HA2 GLY 1 -29.726 13.765 -4.122 6 H SER 2 HN SER 2 -27.687 15.433 -1.730 7 HA SER 2 HA SER 2 -25.347 14.469 -3.243 8 1HB SER 2 HB2 SER 2 -25.783 16.904 -3.595 9 2HB SER 2 HB1 SER 2 -25.600 17.151 -1.860 10 HG SER 2 HG SER 2 -23.644 17.574 -2.918 11 H GLU 3 HN GLU 3 -26.432 15.729 -0.094 12 HA GLU 3 HA GLU 3 -24.287 14.850 1.452 13 1HB GLU 3 HB2 GLU 3 -25.932 14.819 3.344 14 2HB GLU 3 HB1 GLU 3 -25.930 16.314 2.421 15 1HG GLU 3 HG2 GLU 3 -27.994 15.913 1.498 16 2HG GLU 3 HG1 GLU 3 -27.863 14.168 1.705 17 H LYS 4 HN LYS 4 -27.326 13.224 0.648 18 HA LYS 4 HA LYS 4 -25.957 10.660 1.075 19 1HB LYS 4 HB2 LYS 4 -28.904 11.309 1.335 20 2HB LYS 4 HB1 LYS 4 -28.250 9.679 1.357 21 1HG LYS 4 HG2 LYS 4 -26.885 10.347 3.346 22 2HG LYS 4 HG1 LYS 4 -27.784 11.864 3.370 23 1HD LYS 4 HD2 LYS 4 -29.098 9.155 3.469 24 2HD LYS 4 HD1 LYS 4 -28.644 10.064 4.909 25 1HE LYS 4 HE2 LYS 4 -30.464 11.139 2.763 26 2HE LYS 4 HE1 LYS 4 -31.044 10.294 4.197 27 1HZ LYS 4 HZ1 LYS 4 -31.154 12.600 4.639 28 2HZ LYS 4 HZ2 LYS 4 -29.570 12.871 4.092 29 3HZ LYS 4 HZ3 LYS 4 -29.836 12.007 5.523 30 H ARG 5 HN ARG 5 -25.110 10.938 -1.046 31 HA ARG 5 HA ARG 5 -26.491 11.348 -3.408 32 1HB ARG 5 HB2 ARG 5 -23.971 11.038 -3.017 33 2HB ARG 5 HB1 ARG 5 -24.284 9.311 -3.109 34 1HG ARG 5 HG2 ARG 5 -23.654 9.774 -5.259 35 2HG ARG 5 HG1 ARG 5 -25.408 9.924 -5.378 36 1HD ARG 5 HD2 ARG 5 -24.379 11.784 -6.514 37 2HD ARG 5 HD1 ARG 5 -25.182 12.367 -5.056 38 HE ARG 5 HE ARG 5 -23.135 12.944 -4.173 39 1HH1 ARG 5 HH11 ARG 5 -22.680 11.085 -7.107 40 2HH1 ARG 5 HH12 ARG 5 -20.961 11.324 -7.136 41 1HH2 ARG 5 HH21 ARG 5 -20.874 13.274 -4.233 42 2HH2 ARG 5 HH22 ARG 5 -19.933 12.557 -5.513 43 H GLN 6 HN GLN 6 -25.860 8.345 -1.685 44 HA GLN 6 HA GLN 6 -28.420 7.274 -2.057 45 1HB GLN 6 HB2 GLN 6 -27.687 6.935 -4.394 46 2HB GLN 6 HB1 GLN 6 -26.282 6.048 -3.825 47 1HG GLN 6 HG2 GLN 6 -27.999 4.544 -4.641 48 2HG GLN 6 HG1 GLN 6 -27.722 4.314 -2.915 49 1HE2 GLN 6 HE21 GLN 6 -29.345 4.796 -1.465 50 2HE2 GLN 6 HE22 GLN 6 -30.965 5.169 -1.957 51 H HIS 7 HN HIS 7 -25.305 5.694 -2.329 52 HA HIS 7 HA HIS 7 -24.640 5.377 0.333 53 1HB HIS 7 HB2 HIS 7 -26.673 3.984 0.528 54 2HB HIS 7 HB1 HIS 7 -26.109 2.970 -0.794 55 HD1 HIS 7 HD1 HIS 7 -24.780 4.048 2.627 56 HD2 HIS 7 HD2 HIS 7 -24.878 0.746 0.095 57 HE1 HIS 7 HE1 HIS 7 -23.592 2.209 3.863 58 HE2 HIS 7 HE2 HIS 7 -23.500 0.283 2.237 59 H SER 8 HN SER 8 -22.564 4.669 0.361 60 HA SER 8 HA SER 8 -20.542 3.963 -0.389 61 1HB SER 8 HB2 SER 8 -22.173 2.129 -2.168 62 2HB SER 8 HB1 SER 8 -20.480 1.917 -1.715 63 HG SER 8 HG SER 8 -21.118 1.030 0.078 64 H SER 9 HN SER 9 -20.412 6.161 -1.332 65 HA SER 9 HA SER 9 -20.218 6.025 -4.262 66 1HB SER 9 HB2 SER 9 -21.098 8.406 -4.291 67 2HB SER 9 HB1 SER 9 -22.283 7.166 -3.876 68 HG SER 9 HG SER 9 -22.527 8.085 -2.006 69 H GLN 10 HN GLN 10 -18.588 6.568 -1.431 70 HA GLN 10 HA GLN 10 -17.010 8.772 -2.503 71 1HB GLN 10 HB2 GLN 10 -17.115 7.569 0.251 72 2HB GLN 10 HB1 GLN 10 -15.942 8.796 -0.222 73 1HG GLN 10 HG2 GLN 10 -17.789 10.300 -0.821 74 2HG GLN 10 HG1 GLN 10 -18.936 9.079 -0.284 75 1HE2 GLN 10 HE21 GLN 10 -17.262 8.298 1.998 76 2HE2 GLN 10 HE22 GLN 10 -17.432 9.570 3.156 77 H ASP 11 HN ASP 11 -16.903 5.591 -2.869 78 HA ASP 11 HA ASP 11 -15.317 4.067 -3.511 79 1HB ASP 11 HB2 ASP 11 -14.138 6.678 -4.454 80 2HB ASP 11 HB1 ASP 11 -13.582 5.098 -4.996 81 H VAL 12 HN VAL 12 -12.462 4.323 -3.752 82 HA VAL 12 HA VAL 12 -11.434 5.324 -1.266 83 HB VAL 12 HB VAL 12 -12.422 3.167 -0.573 84 1HG1 VAL 12 HG11 VAL 12 -10.366 2.010 -2.443 85 2HG1 VAL 12 HG12 VAL 12 -12.122 1.895 -2.592 86 3HG1 VAL 12 HG13 VAL 12 -11.290 1.085 -1.260 87 1HG2 VAL 12 HG21 VAL 12 -10.466 2.368 0.657 88 2HG2 VAL 12 HG22 VAL 12 -10.557 4.130 0.662 89 3HG2 VAL 12 HG23 VAL 12 -9.416 3.308 -0.403 90 H HIS 13 HN HIS 13 -9.359 5.812 -1.405 91 HA HIS 13 HA HIS 13 -7.714 4.582 -3.515 92 1HB HIS 13 HB2 HIS 13 -7.599 7.270 -2.172 93 2HB HIS 13 HB1 HIS 13 -6.155 6.577 -2.896 94 HD1 HIS 13 HD1 HIS 13 -5.766 7.627 -5.067 95 HD2 HIS 13 HD2 HIS 13 -9.820 7.014 -4.376 96 HE1 HIS 13 HE1 HIS 13 -6.939 8.450 -7.136 97 HE2 HIS 13 HE2 HIS 13 -9.393 8.281 -6.594 98 H VAL 14 HN VAL 14 -6.716 2.863 -2.615 99 HA VAL 14 HA VAL 14 -5.665 3.159 0.115 100 HB VAL 14 HB VAL 14 -5.415 0.674 0.112 101 1HG1 VAL 14 HG11 VAL 14 -7.362 1.743 1.130 102 2HG1 VAL 14 HG12 VAL 14 -7.774 0.177 0.429 103 3HG1 VAL 14 HG13 VAL 14 -8.211 1.663 -0.415 104 1HG2 VAL 14 HG21 VAL 14 -7.002 0.815 -2.448 105 2HG2 VAL 14 HG22 VAL 14 -6.579 -0.654 -1.564 106 3HG2 VAL 14 HG23 VAL 14 -5.314 0.323 -2.309 107 H VAL 15 HN VAL 15 -3.541 2.973 0.535 108 HA VAL 15 HA VAL 15 -1.788 2.808 -1.817 109 HB VAL 15 HB VAL 15 -1.678 4.983 -0.722 110 1HG1 VAL 15 HG11 VAL 15 -2.404 4.433 1.500 111 2HG1 VAL 15 HG12 VAL 15 -0.796 5.153 1.604 112 3HG1 VAL 15 HG13 VAL 15 -0.991 3.404 1.755 113 1HG2 VAL 15 HG21 VAL 15 0.370 4.081 -1.703 114 2HG2 VAL 15 HG22 VAL 15 0.783 3.337 -0.157 115 3HG2 VAL 15 HG23 VAL 15 0.719 5.093 -0.301 116 H LEU 16 HN LEU 16 -0.458 1.227 -2.016 117 HA LEU 16 HA LEU 16 0.126 -0.390 0.356 118 1HB LEU 16 HB2 LEU 16 -0.873 -1.495 -1.683 119 2HB LEU 16 HB1 LEU 16 0.611 -1.112 -2.536 120 HG LEU 16 HG LEU 16 0.755 -2.615 0.014 121 1HD1 LEU 16 HD11 LEU 16 -0.955 -3.793 -1.277 122 2HD1 LEU 16 HD12 LEU 16 0.537 -4.730 -1.162 123 3HD1 LEU 16 HD13 LEU 16 0.148 -3.872 -2.654 124 1HD2 LEU 16 HD21 LEU 16 2.828 -1.878 -1.030 125 2HD2 LEU 16 HD22 LEU 16 2.374 -2.693 -2.527 126 3HD2 LEU 16 HD23 LEU 16 2.702 -3.636 -1.073 127 H LYS 17 HN LYS 17 2.079 -0.362 1.185 128 HA LYS 17 HA LYS 17 4.177 1.057 -0.302 129 1HB LYS 17 HB2 LYS 17 3.910 0.719 2.690 130 2HB LYS 17 HB1 LYS 17 5.138 1.652 1.845 131 1HG LYS 17 HG2 LYS 17 3.481 3.196 1.041 132 2HG LYS 17 HG1 LYS 17 2.185 2.217 1.736 133 1HD LYS 17 HD2 LYS 17 3.044 2.617 3.967 134 2HD LYS 17 HD1 LYS 17 4.400 3.521 3.280 135 1HE LYS 17 HE2 LYS 17 1.508 4.277 2.909 136 2HE LYS 17 HE1 LYS 17 2.539 4.947 4.169 137 1HZ LYS 17 HZ1 LYS 17 3.191 5.137 1.280 138 2HZ LYS 17 HZ2 LYS 17 3.900 5.985 2.562 139 3HZ LYS 17 HZ3 LYS 17 2.304 6.320 2.105 140 H LEU 18 HN LEU 18 6.107 0.122 -0.602 141 HA LEU 18 HA LEU 18 6.325 -2.728 0.055 142 1HB LEU 18 HB2 LEU 18 6.729 -2.583 -2.198 143 2HB LEU 18 HB1 LEU 18 7.250 -0.912 -2.103 144 HG LEU 18 HG LEU 18 9.452 -1.764 -1.185 145 1HD1 LEU 18 HD11 LEU 18 8.407 -4.403 -2.184 146 2HD1 LEU 18 HD12 LEU 18 8.774 -3.995 -0.507 147 3HD1 LEU 18 HD13 LEU 18 10.071 -4.060 -1.704 148 1HD2 LEU 18 HD21 LEU 18 10.296 -2.369 -3.400 149 2HD2 LEU 18 HD22 LEU 18 9.214 -0.978 -3.457 150 3HD2 LEU 18 HD23 LEU 18 8.638 -2.564 -3.968 151 H TRP 19 HN TRP 19 7.612 -3.318 1.631 152 HA TRP 19 HA TRP 19 9.618 -1.414 2.635 153 1HB TRP 19 HB2 TRP 19 8.315 -3.654 4.178 154 2HB TRP 19 HB1 TRP 19 9.257 -2.319 4.820 155 HD1 TRP 19 HD1 TRP 19 5.800 -3.395 4.253 156 HE1 TRP 19 HE1 TRP 19 4.175 -1.474 4.781 157 HE3 TRP 19 HE3 TRP 19 9.103 0.493 4.268 158 HZ2 TRP 19 HZ2 TRP 19 4.270 1.284 5.155 159 HZ3 TRP 19 HZ3 TRP 19 8.234 2.765 4.669 160 HH2 TRP 19 HH2 TRP 19 5.866 3.153 5.089 161 H LYS 20 HN LYS 20 11.362 -2.742 3.976 162 HA LYS 20 HA LYS 20 12.558 -4.456 2.044 163 1HB LYS 20 HB2 LYS 20 14.397 -4.689 3.786 164 2HB LYS 20 HB1 LYS 20 14.110 -3.091 3.128 165 1HG LYS 20 HG2 LYS 20 14.477 -2.810 5.436 166 2HG LYS 20 HG1 LYS 20 12.746 -2.601 5.186 167 1HD LYS 20 HD2 LYS 20 12.263 -4.738 6.098 168 2HD LYS 20 HD1 LYS 20 13.964 -5.217 6.048 169 1HE LYS 20 HE2 LYS 20 14.518 -3.625 7.761 170 2HE LYS 20 HE1 LYS 20 12.887 -2.957 7.730 171 1HZ LYS 20 HZ1 LYS 20 13.210 -4.450 9.607 172 2HZ LYS 20 HZ2 LYS 20 13.599 -5.725 8.553 173 3HZ LYS 20 HZ3 LYS 20 12.041 -5.057 8.543 174 H SER 21 HN SER 21 10.486 -4.971 4.624 175 HA SER 21 HA SER 21 10.723 -7.831 4.215 176 1HB SER 21 HB2 SER 21 12.188 -7.271 6.179 177 2HB SER 21 HB1 SER 21 10.758 -6.663 7.008 178 HG SER 21 HG SER 21 11.557 -9.026 7.228 179 H GLY 22 HN GLY 22 8.760 -6.574 3.108 180 1HA GLY 22 HA2 GLY 22 6.506 -7.724 3.441 181 2HA GLY 22 HA1 GLY 22 6.479 -6.833 4.954 182 H PHE 23 HN PHE 23 4.385 -6.253 3.762 183 HA PHE 23 HA PHE 23 4.826 -3.619 2.566 184 1HB PHE 23 HB2 PHE 23 3.159 -3.995 0.826 185 2HB PHE 23 HB1 PHE 23 4.431 -5.207 0.690 186 HD1 PHE 23 HD1 PHE 23 3.979 -7.531 1.523 187 HD2 PHE 23 HD2 PHE 23 0.935 -4.581 1.198 188 HE1 PHE 23 HE1 PHE 23 2.271 -9.288 1.627 189 HE2 PHE 23 HE2 PHE 23 -0.780 -6.338 1.293 190 HZ PHE 23 HZ PHE 23 -0.112 -8.692 1.507 191 H SER 24 HN SER 24 3.007 -2.208 2.795 192 HA SER 24 HA SER 24 0.897 -3.134 4.635 193 1HB SER 24 HB2 SER 24 1.028 -1.017 5.867 194 2HB SER 24 HB1 SER 24 2.569 -1.874 5.950 195 HG SER 24 HG SER 24 2.245 -0.086 3.847 196 H LEU 25 HN LEU 25 -1.004 -1.710 4.595 197 HA LEU 25 HA LEU 25 -1.265 -0.285 2.037 198 1HB LEU 25 HB2 LEU 25 -3.469 -2.031 3.116 199 2HB LEU 25 HB1 LEU 25 -3.322 -1.330 1.518 200 HG LEU 25 HG LEU 25 -1.221 -2.904 1.348 201 1HD1 LEU 25 HD11 LEU 25 -2.904 -4.338 3.399 202 2HD1 LEU 25 HD12 LEU 25 -1.304 -3.648 3.680 203 3HD1 LEU 25 HD13 LEU 25 -1.498 -4.995 2.557 204 1HD2 LEU 25 HD21 LEU 25 -4.044 -3.944 1.175 205 2HD2 LEU 25 HD22 LEU 25 -2.633 -4.620 0.360 206 3HD2 LEU 25 HD23 LEU 25 -3.212 -3.009 -0.067 207 H ASP 26 HN ASP 26 -3.615 0.779 2.097 208 HA ASP 26 HA ASP 26 -3.626 2.685 4.165 209 1HB ASP 26 HB2 ASP 26 -4.681 2.989 1.918 210 2HB ASP 26 HB1 ASP 26 -5.947 1.867 2.397 211 H ASN 27 HN ASN 27 -5.123 -0.412 3.784 212 HA ASN 27 HA ASN 27 -6.878 -0.112 6.060 213 1HB ASN 27 HB2 ASN 27 -7.536 -2.481 5.453 214 2HB ASN 27 HB1 ASN 27 -7.801 -1.290 4.177 215 1HD2 ASN 27 HD21 ASN 27 -5.811 -3.971 5.242 216 2HD2 ASN 27 HD22 ASN 27 -5.045 -4.260 3.716 217 H GLY 28 HN GLY 28 -3.799 -1.657 5.359 218 1HA GLY 28 HA2 GLY 28 -3.886 -2.888 8.035 219 2HA GLY 28 HA1 GLY 28 -3.456 -3.851 6.633 220 H GLU 29 HN GLU 29 -1.837 -3.618 8.845 221 HA GLU 29 HA GLU 29 0.180 -1.610 8.363 222 1HB GLU 29 HB2 GLU 29 0.032 -3.863 10.369 223 2HB GLU 29 HB1 GLU 29 1.310 -2.658 10.313 224 1HG GLU 29 HG2 GLU 29 -0.273 -0.897 10.770 225 2HG GLU 29 HG1 GLU 29 -1.607 -2.048 10.731 226 H LEU 30 HN LEU 30 2.521 -2.731 8.858 227 HA LEU 30 HA LEU 30 3.211 -3.913 6.370 228 1HB LEU 30 HB2 LEU 30 4.613 -2.312 7.676 229 2HB LEU 30 HB1 LEU 30 4.888 -3.551 8.868 230 HG LEU 30 HG LEU 30 5.868 -3.555 6.014 231 1HD1 LEU 30 HD11 LEU 30 7.271 -3.185 8.623 232 2HD1 LEU 30 HD12 LEU 30 7.177 -2.069 7.254 233 3HD1 LEU 30 HD13 LEU 30 8.099 -3.564 7.112 234 1HD2 LEU 30 HD21 LEU 30 7.084 -5.540 6.512 235 2HD2 LEU 30 HD22 LEU 30 5.361 -5.819 6.772 236 3HD2 LEU 30 HD23 LEU 30 6.434 -5.564 8.149 237 H ARG 31 HN ARG 31 2.925 -5.962 5.881 238 HA ARG 31 HA ARG 31 3.492 -8.007 7.934 239 1HB ARG 31 HB2 ARG 31 1.745 -8.491 5.527 240 2HB ARG 31 HB1 ARG 31 1.848 -9.430 7.011 241 1HG ARG 31 HG2 ARG 31 0.821 -7.535 8.229 242 2HG ARG 31 HG1 ARG 31 0.622 -6.699 6.687 243 1HD ARG 31 HD2 ARG 31 -1.451 -7.710 7.064 244 2HD ARG 31 HD1 ARG 31 -0.643 -8.793 5.929 245 HE ARG 31 HE ARG 31 0.002 -9.888 8.302 246 1HH1 ARG 31 HH11 ARG 31 -3.052 -8.798 6.982 247 2HH1 ARG 31 HH12 ARG 31 -4.006 -9.953 7.857 248 1HH2 ARG 31 HH21 ARG 31 -1.239 -11.425 9.465 249 2HH2 ARG 31 HH22 ARG 31 -2.970 -11.472 9.259 250 H SER 32 HN SER 32 5.135 -9.377 7.442 251 HA SER 32 HA SER 32 6.812 -8.577 5.280 252 1HB SER 32 HB2 SER 32 7.783 -9.237 7.418 253 2HB SER 32 HB1 SER 32 7.140 -10.874 7.227 254 HG SER 32 HG SER 32 9.433 -9.852 6.307 255 H TYR 33 HN TYR 33 7.549 -9.736 3.534 256 HA TYR 33 HA TYR 33 5.483 -10.902 2.046 257 1HB TYR 33 HB2 TYR 33 8.456 -10.822 1.513 258 2HB TYR 33 HB1 TYR 33 7.242 -11.293 0.330 259 HD1 TYR 33 HD1 TYR 33 9.261 -8.662 1.324 260 HD2 TYR 33 HD2 TYR 33 5.246 -9.469 0.170 261 HE1 TYR 33 HE1 TYR 33 8.992 -6.304 0.656 262 HE2 TYR 33 HE2 TYR 33 4.959 -7.125 -0.494 263 HH TYR 33 HH TYR 33 5.945 -4.943 0.036 264 H GLN 34 HN GLN 34 7.457 -12.402 4.321 265 HA GLN 34 HA GLN 34 7.445 -14.991 2.988 266 1HB GLN 34 HB2 GLN 34 8.458 -14.267 5.736 267 2HB GLN 34 HB1 GLN 34 8.772 -15.765 4.868 268 1HG GLN 34 HG2 GLN 34 9.871 -14.330 3.086 269 2HG GLN 34 HG1 GLN 34 9.808 -13.016 4.257 270 1HE2 GLN 34 HE21 GLN 34 11.267 -16.015 3.383 271 2HE2 GLN 34 HE22 GLN 34 12.551 -15.977 4.557 272 H ASP 35 HN ASP 35 5.756 -13.231 5.424 273 HA ASP 35 HA ASP 35 4.480 -15.352 6.765 274 1HB ASP 35 HB2 ASP 35 4.444 -13.251 7.824 275 2HB ASP 35 HB1 ASP 35 3.823 -12.441 6.396 276 HA PRO 36 HA PRO 36 1.678 -16.551 3.526 277 1HB PRO 36 HB2 PRO 36 0.451 -18.407 5.361 278 2HB PRO 36 HB1 PRO 36 1.557 -18.743 4.029 279 1HG PRO 36 HG2 PRO 36 2.197 -19.073 6.672 280 2HG PRO 36 HG1 PRO 36 3.385 -18.777 5.391 281 1HD PRO 36 HD2 PRO 36 2.212 -16.867 7.371 282 2HD PRO 36 HD1 PRO 36 3.878 -16.989 6.768 283 H SER 37 HN SER 37 0.868 -14.647 6.054 284 HA SER 37 HA SER 37 -2.024 -15.020 5.796 285 1HB SER 37 HB2 SER 37 -0.616 -13.003 7.543 286 2HB SER 37 HB1 SER 37 -2.251 -13.640 7.719 287 HG SER 37 HG SER 37 0.203 -14.771 8.410 288 H ASN 38 HN ASN 38 0.527 -12.708 5.088 289 HA ASN 38 HA ASN 38 -1.363 -10.925 3.773 290 1HB ASN 38 HB2 ASN 38 0.565 -9.531 3.276 291 2HB ASN 38 HB1 ASN 38 0.555 -9.967 4.977 292 1HD2 ASN 38 HD21 ASN 38 2.154 -11.220 5.788 293 2HD2 ASN 38 HD22 ASN 38 3.581 -11.631 4.899 294 H ALA 39 HN ALA 39 0.555 -13.595 3.111 295 HA ALA 39 HA ALA 39 1.243 -13.522 0.487 296 1HB ALA 39 HB1 ALA 39 0.844 -15.927 0.386 297 2HB ALA 39 HB2 ALA 39 -0.118 -15.830 1.861 298 3HB ALA 39 HB3 ALA 39 1.605 -15.458 1.906 299 H GLN 40 HN GLN 40 -2.067 -13.941 1.712 300 HA GLN 40 HA GLN 40 -3.419 -14.471 -0.640 301 1HB GLN 40 HB2 GLN 40 -5.295 -13.112 0.369 302 2HB GLN 40 HB1 GLN 40 -4.709 -14.452 1.343 303 1HG GLN 40 HG2 GLN 40 -4.033 -13.090 2.982 304 2HG GLN 40 HG1 GLN 40 -3.427 -11.876 1.849 305 1HE2 GLN 40 HE21 GLN 40 -4.851 -10.316 1.044 306 2HE2 GLN 40 HE22 GLN 40 -6.354 -9.946 1.826 307 H PHE 41 HN PHE 41 -3.048 -11.277 0.786 308 HA PHE 41 HA PHE 41 -3.705 -9.569 -1.211 309 1HB PHE 41 HB2 PHE 41 -1.225 -9.332 0.504 310 2HB PHE 41 HB1 PHE 41 -1.942 -8.022 -0.418 311 HD1 PHE 41 HD1 PHE 41 -4.283 -7.262 0.238 312 HD2 PHE 41 HD2 PHE 41 -1.864 -9.773 2.674 313 HE1 PHE 41 HE1 PHE 41 -5.570 -6.587 2.215 314 HE2 PHE 41 HE2 PHE 41 -3.156 -9.112 4.653 315 HZ PHE 41 HZ PHE 41 -5.014 -7.515 4.424 316 H LEU 42 HN LEU 42 -0.401 -10.750 -0.708 317 HA LEU 42 HA LEU 42 0.835 -9.691 -2.899 318 1HB LEU 42 HB2 LEU 42 1.297 -12.291 -1.469 319 2HB LEU 42 HB1 LEU 42 2.340 -11.756 -2.772 320 HG LEU 42 HG LEU 42 1.861 -10.257 -0.196 321 1HD1 LEU 42 HD11 LEU 42 3.135 -12.321 0.125 322 2HD1 LEU 42 HD12 LEU 42 4.141 -10.892 0.357 323 3HD1 LEU 42 HD13 LEU 42 4.259 -11.820 -1.138 324 1HD2 LEU 42 HD21 LEU 42 3.635 -8.795 -0.941 325 2HD2 LEU 42 HD22 LEU 42 2.345 -8.817 -2.144 326 3HD2 LEU 42 HD23 LEU 42 3.826 -9.732 -2.423 327 H GLU 43 HN GLU 43 -0.779 -12.831 -2.737 328 HA GLU 43 HA GLU 43 -0.232 -13.591 -5.400 329 1HB GLU 43 HB2 GLU 43 -0.856 -15.187 -3.625 330 2HB GLU 43 HB1 GLU 43 -2.473 -14.492 -3.574 331 1HG GLU 43 HG2 GLU 43 -2.926 -15.248 -5.806 332 2HG GLU 43 HG1 GLU 43 -1.261 -15.784 -6.010 333 H SER 44 HN SER 44 -3.156 -12.267 -3.884 334 HA SER 44 HA SER 44 -4.734 -12.188 -6.201 335 1HB SER 44 HB2 SER 44 -5.544 -11.943 -3.834 336 2HB SER 44 HB1 SER 44 -4.899 -10.303 -3.833 337 HG SER 44 HG SER 44 -6.381 -9.708 -5.341 338 H ILE 45 HN ILE 45 -2.544 -9.787 -4.798 339 HA ILE 45 HA ILE 45 -3.253 -7.718 -6.660 340 HB ILE 45 HB ILE 45 -0.868 -7.955 -4.808 341 1HG1 ILE 45 HG12 ILE 45 -3.457 -6.430 -4.460 342 2HG1 ILE 45 HG11 ILE 45 -3.095 -7.972 -3.692 343 1HG2 ILE 45 HG21 ILE 45 -0.682 -5.527 -5.051 344 2HG2 ILE 45 HG22 ILE 45 -1.966 -5.553 -6.260 345 3HG2 ILE 45 HG23 ILE 45 -0.431 -6.360 -6.585 346 1HD1 ILE 45 HD11 ILE 45 -1.239 -6.941 -2.493 347 2HD1 ILE 45 HD12 ILE 45 -2.762 -6.114 -2.162 348 3HD1 ILE 45 HD13 ILE 45 -1.592 -5.398 -3.272 349 H ARG 46 HN ARG 46 -0.913 -10.273 -6.509 350 HA ARG 46 HA ARG 46 0.724 -9.490 -8.691 351 1HB ARG 46 HB2 ARG 46 1.425 -11.149 -7.052 352 2HB ARG 46 HB1 ARG 46 0.094 -12.200 -7.507 353 1HG ARG 46 HG2 ARG 46 1.101 -12.433 -9.751 354 2HG ARG 46 HG1 ARG 46 2.476 -11.472 -9.190 355 1HD ARG 46 HD2 ARG 46 2.890 -13.105 -7.418 356 2HD ARG 46 HD1 ARG 46 1.527 -14.067 -7.983 357 HE ARG 46 HE ARG 46 3.307 -13.700 -10.119 358 1HH1 ARG 46 HH11 ARG 46 3.109 -15.331 -7.028 359 2HH1 ARG 46 HH12 ARG 46 4.212 -16.596 -7.475 360 1HH2 ARG 46 HH21 ARG 46 4.738 -15.365 -10.730 361 2HH2 ARG 46 HH22 ARG 46 5.151 -16.616 -9.591 362 H ARG 47 HN ARG 47 -2.078 -11.632 -8.379 363 HA ARG 47 HA ARG 47 -2.360 -12.315 -11.080 364 1HB ARG 47 HB2 ARG 47 -4.459 -12.105 -8.933 365 2HB ARG 47 HB1 ARG 47 -4.669 -12.934 -10.465 366 1HG ARG 47 HG2 ARG 47 -2.751 -13.668 -8.265 367 2HG ARG 47 HG1 ARG 47 -4.208 -14.542 -8.741 368 1HD ARG 47 HD2 ARG 47 -1.828 -14.061 -10.513 369 2HD ARG 47 HD1 ARG 47 -2.131 -15.553 -9.621 370 HE ARG 47 HE ARG 47 -4.320 -15.558 -10.955 371 1HH1 ARG 47 HH11 ARG 47 -1.270 -14.315 -12.163 372 2HH1 ARG 47 HH12 ARG 47 -1.655 -14.639 -13.828 373 1HH2 ARG 47 HH21 ARG 47 -4.829 -15.976 -13.128 374 2HH2 ARG 47 HH22 ARG 47 -3.674 -15.611 -14.377 375 H GLY 48 HN GLY 48 -3.498 -9.549 -9.249 376 1HA GLY 48 HA2 GLY 48 -3.912 -7.461 -10.440 377 2HA GLY 48 HA1 GLY 48 -4.600 -8.416 -11.748 378 H GLU 49 HN GLU 49 -5.415 -9.663 -8.766 379 HA GLU 49 HA GLU 49 -8.138 -8.637 -9.007 380 1HB GLU 49 HB2 GLU 49 -6.985 -10.898 -7.381 381 2HB GLU 49 HB1 GLU 49 -8.687 -10.454 -7.437 382 1HG GLU 49 HG2 GLU 49 -8.816 -11.054 -9.758 383 2HG GLU 49 HG1 GLU 49 -7.076 -11.347 -9.814 384 H VAL 50 HN VAL 50 -9.279 -8.265 -6.883 385 HA VAL 50 HA VAL 50 -7.535 -6.563 -5.260 386 HB VAL 50 HB VAL 50 -9.423 -5.470 -6.351 387 1HG1 VAL 50 HG11 VAL 50 -11.720 -5.895 -5.626 388 2HG1 VAL 50 HG12 VAL 50 -11.156 -7.258 -4.658 389 3HG1 VAL 50 HG13 VAL 50 -11.005 -7.300 -6.416 390 1HG2 VAL 50 HG21 VAL 50 -10.326 -4.325 -4.373 391 2HG2 VAL 50 HG22 VAL 50 -8.579 -4.551 -4.274 392 3HG2 VAL 50 HG23 VAL 50 -9.657 -5.597 -3.349 393 HA PRO 51 HA PRO 51 -7.919 -9.391 -1.763 394 1HB PRO 51 HB2 PRO 51 -6.865 -6.978 -0.411 395 2HB PRO 51 HB1 PRO 51 -6.250 -8.629 -0.384 396 1HG PRO 51 HG2 PRO 51 -5.027 -6.678 -1.733 397 2HG PRO 51 HG1 PRO 51 -5.044 -8.355 -2.302 398 1HD PRO 51 HD2 PRO 51 -6.572 -5.993 -3.292 399 2HD PRO 51 HD1 PRO 51 -5.955 -7.401 -4.182 400 H ALA 52 HN ALA 52 -9.554 -9.570 -0.330 401 HA ALA 52 HA ALA 52 -11.789 -7.892 -0.552 402 1HB ALA 52 HB1 ALA 52 -11.202 -9.943 1.579 403 2HB ALA 52 HB2 ALA 52 -11.919 -10.279 0.004 404 3HB ALA 52 HB3 ALA 52 -12.786 -9.283 1.173 405 H GLU 53 HN GLU 53 -9.065 -7.832 1.562 406 HA GLU 53 HA GLU 53 -10.028 -6.404 3.746 407 1HB GLU 53 HB2 GLU 53 -7.333 -6.342 2.392 408 2HB GLU 53 HB1 GLU 53 -7.667 -5.520 3.907 409 1HG GLU 53 HG2 GLU 53 -6.542 -7.669 4.213 410 2HG GLU 53 HG1 GLU 53 -8.118 -7.605 5.002 411 H LEU 54 HN LEU 54 -8.841 -5.236 0.619 412 HA LEU 54 HA LEU 54 -9.244 -2.484 1.430 413 1HB LEU 54 HB2 LEU 54 -8.691 -2.451 -1.290 414 2HB LEU 54 HB1 LEU 54 -7.558 -2.156 0.007 415 HG LEU 54 HG LEU 54 -8.024 -4.902 -1.136 416 1HD1 LEU 54 HD11 LEU 54 -7.285 -3.440 -2.920 417 2HD1 LEU 54 HD12 LEU 54 -5.954 -4.486 -2.419 418 3HD1 LEU 54 HD13 LEU 54 -6.002 -2.801 -1.894 419 1HD2 LEU 54 HD21 LEU 54 -5.847 -3.667 0.553 420 2HD2 LEU 54 HD22 LEU 54 -5.757 -5.272 -0.171 421 3HD2 LEU 54 HD23 LEU 54 -6.987 -4.921 1.044 422 H ARG 55 HN ARG 55 -10.949 -4.992 -0.055 423 HA ARG 55 HA ARG 55 -12.807 -3.321 -1.476 424 1HB ARG 55 HB2 ARG 55 -12.419 -5.660 -2.166 425 2HB ARG 55 HB1 ARG 55 -13.060 -6.215 -0.624 426 1HG ARG 55 HG2 ARG 55 -14.712 -6.415 -2.395 427 2HG ARG 55 HG1 ARG 55 -15.230 -5.258 -1.166 428 1HD ARG 55 HD2 ARG 55 -15.716 -4.274 -3.270 429 2HD ARG 55 HD1 ARG 55 -14.294 -3.442 -2.622 430 HE ARG 55 HE ARG 55 -13.128 -5.274 -4.140 431 1HH1 ARG 55 HH11 ARG 55 -15.935 -3.296 -4.852 432 2HH1 ARG 55 HH12 ARG 55 -15.581 -3.200 -6.556 433 1HH2 ARG 55 HH21 ARG 55 -12.677 -5.143 -6.391 434 2HH2 ARG 55 HH22 ARG 55 -13.733 -4.228 -7.420 435 H ARG 56 HN ARG 56 -12.573 -4.814 1.687 436 HA ARG 56 HA ARG 56 -15.145 -3.924 2.552 437 1HB ARG 56 HB2 ARG 56 -12.744 -4.982 4.035 438 2HB ARG 56 HB1 ARG 56 -14.253 -4.544 4.828 439 1HG ARG 56 HG2 ARG 56 -14.043 -6.570 2.618 440 2HG ARG 56 HG1 ARG 56 -14.006 -6.970 4.338 441 1HD ARG 56 HD2 ARG 56 -16.209 -6.126 4.664 442 2HD ARG 56 HD1 ARG 56 -16.248 -5.436 3.043 443 HE ARG 56 HE ARG 56 -16.631 -7.552 2.155 444 1HH1 ARG 56 HH11 ARG 56 -16.160 -7.712 5.630 445 2HH1 ARG 56 HH12 ARG 56 -16.832 -9.311 5.767 446 1HH2 ARG 56 HH21 ARG 56 -17.519 -9.656 2.356 447 2HH2 ARG 56 HH22 ARG 56 -17.595 -10.408 3.918 448 H LEU 57 HN LEU 57 -12.349 -2.320 1.876 449 HA LEU 57 HA LEU 57 -12.985 -0.134 3.735 450 1HB LEU 57 HB2 LEU 57 -10.554 -1.146 3.101 451 2HB LEU 57 HB1 LEU 57 -10.700 0.101 1.878 452 HG LEU 57 HG LEU 57 -10.916 0.570 4.854 453 1HD1 LEU 57 HD11 LEU 57 -8.680 1.121 2.928 454 2HD1 LEU 57 HD12 LEU 57 -8.680 -0.058 4.239 455 3HD1 LEU 57 HD13 LEU 57 -8.745 1.666 4.603 456 1HD2 LEU 57 HD21 LEU 57 -12.206 2.194 3.589 457 2HD2 LEU 57 HD22 LEU 57 -10.820 2.509 2.545 458 3HD2 LEU 57 HD23 LEU 57 -10.755 2.945 4.252 459 H ALA 58 HN ALA 58 -12.660 -1.102 0.391 460 HA ALA 58 HA ALA 58 -13.310 1.276 -0.877 461 1HB ALA 58 HB1 ALA 58 -14.119 -0.060 -2.745 462 2HB ALA 58 HB2 ALA 58 -14.027 -1.513 -1.742 463 3HB ALA 58 HB3 ALA 58 -12.556 -0.621 -2.150 464 H HIS 59 HN HIS 59 -14.911 2.456 -0.854 465 HA HIS 59 HA HIS 59 -17.372 1.671 0.431 466 1HB HIS 59 HB2 HIS 59 -16.481 4.377 -0.591 467 2HB HIS 59 HB1 HIS 59 -17.897 4.067 0.410 468 HD1 HIS 59 HD1 HIS 59 -14.600 5.287 0.765 469 HD2 HIS 59 HD2 HIS 59 -16.899 2.566 2.898 470 HE1 HIS 59 HE1 HIS 59 -13.558 5.161 3.053 471 HE2 HIS 59 HE2 HIS 59 -14.888 3.409 4.281 472 H GLY 60 HN GLY 60 -16.728 3.644 -2.455 473 1HA GLY 60 HA2 GLY 60 -19.299 3.141 -3.553 474 2HA GLY 60 HA1 GLY 60 -17.953 3.906 -4.387 475 H GLY 61 HN GLY 61 -16.181 1.649 -3.954 476 1HA GLY 61 HA2 GLY 61 -16.362 -0.746 -4.642 477 2HA GLY 61 HA1 GLY 61 -17.315 -0.153 -5.994 478 H GLN 62 HN GLN 62 -15.574 2.251 -6.076 479 HA GLN 62 HA GLN 62 -13.489 1.309 -7.759 480 1HB GLN 62 HB2 GLN 62 -14.434 3.480 -8.117 481 2HB GLN 62 HB1 GLN 62 -14.094 3.940 -6.462 482 1HG GLN 62 HG2 GLN 62 -11.682 3.814 -6.933 483 2HG GLN 62 HG1 GLN 62 -12.049 3.402 -8.609 484 1HE2 GLN 62 HE21 GLN 62 -14.358 5.273 -8.589 485 2HE2 GLN 62 HE22 GLN 62 -13.665 6.848 -8.725 486 H VAL 63 HN VAL 63 -12.326 -0.162 -6.490 487 HA VAL 63 HA VAL 63 -10.863 0.949 -4.226 488 HB VAL 63 HB VAL 63 -11.725 -1.251 -3.822 489 1HG1 VAL 63 HG11 VAL 63 -10.266 -2.140 -6.304 490 2HG1 VAL 63 HG12 VAL 63 -12.015 -2.021 -6.104 491 3HG1 VAL 63 HG13 VAL 63 -11.097 -3.199 -5.166 492 1HG2 VAL 63 HG21 VAL 63 -9.679 -2.478 -3.289 493 2HG2 VAL 63 HG22 VAL 63 -9.528 -0.767 -2.889 494 3HG2 VAL 63 HG23 VAL 63 -8.759 -1.405 -4.343 495 H ASN 64 HN ASN 64 -9.296 2.243 -4.927 496 HA ASN 64 HA ASN 64 -7.585 1.326 -7.137 497 1HB ASN 64 HB2 ASN 64 -8.678 3.540 -7.398 498 2HB ASN 64 HB1 ASN 64 -7.866 4.096 -5.941 499 1HD2 ASN 64 HD21 ASN 64 -6.476 2.046 -8.447 500 2HD2 ASN 64 HD22 ASN 64 -5.278 3.181 -8.961 501 H LEU 65 HN LEU 65 -5.817 0.293 -6.428 502 HA LEU 65 HA LEU 65 -4.589 1.226 -3.943 503 1HB LEU 65 HB2 LEU 65 -3.853 -0.883 -3.499 504 2HB LEU 65 HB1 LEU 65 -5.277 -1.272 -4.444 505 HG LEU 65 HG LEU 65 -3.083 -0.950 -6.214 506 1HD1 LEU 65 HD11 LEU 65 -1.647 -1.404 -4.301 507 2HD1 LEU 65 HD12 LEU 65 -1.639 -2.767 -5.420 508 3HD1 LEU 65 HD13 LEU 65 -2.577 -2.855 -3.928 509 1HD2 LEU 65 HD21 LEU 65 -3.644 -3.300 -6.744 510 2HD2 LEU 65 HD22 LEU 65 -5.075 -2.274 -6.650 511 3HD2 LEU 65 HD23 LEU 65 -4.677 -3.353 -5.312 512 H ASP 66 HN ASP 66 -2.544 1.921 -3.868 513 HA ASP 66 HA ASP 66 -1.119 2.131 -6.435 514 1HB ASP 66 HB2 ASP 66 -2.073 4.245 -5.053 515 2HB ASP 66 HB1 ASP 66 -0.511 4.069 -4.263 516 H MET 67 HN MET 67 1.338 2.435 -6.041 517 HA MET 67 HA MET 67 2.143 0.767 -3.754 518 1HB MET 67 HB2 MET 67 3.187 0.448 -6.573 519 2HB MET 67 HB1 MET 67 3.703 -0.475 -5.168 520 1HG MET 67 HG2 MET 67 1.365 -1.319 -4.959 521 2HG MET 67 HG1 MET 67 1.004 -0.524 -6.489 522 1HE MET 67 HE1 MET 67 2.801 -3.471 -4.691 523 2HE MET 67 HE2 MET 67 4.174 -2.503 -5.233 524 3HE MET 67 HE3 MET 67 3.879 -4.086 -5.946 525 H GLU 68 HN GLU 68 3.968 1.375 -2.741 526 HA GLU 68 HA GLU 68 5.542 3.568 -3.894 527 1HB GLU 68 HB2 GLU 68 4.745 3.175 -1.009 528 2HB GLU 68 HB1 GLU 68 5.923 4.348 -1.561 529 1HG GLU 68 HG2 GLU 68 4.189 5.479 -2.853 530 2HG GLU 68 HG1 GLU 68 3.003 4.309 -2.267 531 H ASP 69 HN ASP 69 7.701 3.418 -3.632 532 HA ASP 69 HA ASP 69 8.661 0.791 -2.735 533 1HB ASP 69 HB2 ASP 69 9.733 2.846 -4.657 534 2HB ASP 69 HB1 ASP 69 10.688 1.459 -4.145 535 H HIS 70 HN HIS 70 9.050 1.129 -0.547 536 HA HIS 70 HA HIS 70 10.872 3.335 0.163 537 1HB HIS 70 HB2 HIS 70 8.995 1.687 1.866 538 2HB HIS 70 HB1 HIS 70 10.199 2.770 2.548 539 HD1 HIS 70 HD1 HIS 70 9.604 5.222 2.686 540 HD2 HIS 70 HD2 HIS 70 6.873 3.008 0.467 541 HE1 HIS 70 HE1 HIS 70 7.659 6.761 2.281 542 HE2 HIS 70 HE2 HIS 70 6.071 5.448 0.815 543 H ARG 71 HN ARG 71 10.220 -0.046 0.934 544 HA ARG 71 HA ARG 71 11.482 -1.783 1.557 545 1HB ARG 71 HB2 ARG 71 13.308 -0.356 -0.329 546 2HB ARG 71 HB1 ARG 71 13.847 -1.812 0.504 547 1HG ARG 71 HG2 ARG 71 12.328 -3.161 -0.568 548 2HG ARG 71 HG1 ARG 71 11.226 -1.825 -0.906 549 1HD ARG 71 HD2 ARG 71 12.369 -2.709 -2.912 550 2HD ARG 71 HD1 ARG 71 12.670 -0.997 -2.627 551 HE ARG 71 HE ARG 71 14.728 -2.549 -1.455 552 1HH1 ARG 71 HH11 ARG 71 13.516 -1.519 -4.578 553 2HH1 ARG 71 HH12 ARG 71 15.088 -1.545 -5.332 554 1HH2 ARG 71 HH21 ARG 71 16.783 -2.591 -2.448 555 2HH2 ARG 71 HH22 ARG 71 16.936 -2.161 -4.123 556 H ASP 72 HN ASP 72 14.456 0.074 1.517 557 HA ASP 72 HA ASP 72 14.987 -0.882 4.164 558 1HB ASP 72 HB2 ASP 72 17.160 0.294 3.911 559 2HB ASP 72 HB1 ASP 72 16.804 -0.811 2.588 560 H GLU 73 HN GLU 73 13.274 1.714 3.091 561 HA GLU 73 HA GLU 73 13.899 3.652 5.073 562 1HB GLU 73 HB2 GLU 73 12.002 3.302 2.936 563 2HB GLU 73 HB1 GLU 73 11.166 3.860 4.377 564 1HG GLU 73 HG2 GLU 73 13.618 5.208 3.282 565 2HG GLU 73 HG1 GLU 73 11.978 5.646 2.805 566 H ASP 74 HN ASP 74 12.252 0.684 5.091 567 HA ASP 74 HA ASP 74 11.132 -0.560 6.597 568 1HB ASP 74 HB2 ASP 74 13.082 0.539 8.093 569 2HB ASP 74 HB1 ASP 74 11.679 1.243 8.896 570 H PHE 75 HN PHE 75 9.513 -0.206 8.637 571 HA PHE 75 HA PHE 75 7.231 0.622 7.171 572 1HB PHE 75 HB2 PHE 75 7.343 -1.294 8.779 573 2HB PHE 75 HB1 PHE 75 7.348 -0.118 10.085 574 HD1 PHE 75 HD1 PHE 75 5.380 0.482 7.079 575 HD2 PHE 75 HD2 PHE 75 5.323 -1.070 11.037 576 HE1 PHE 75 HE1 PHE 75 2.928 0.483 7.021 577 HE2 PHE 75 HE2 PHE 75 2.863 -1.079 10.993 578 HZ PHE 75 HZ PHE 75 1.664 -0.301 8.992 579 H VAL 76 HN VAL 76 6.196 2.472 7.076 580 HA VAL 76 HA VAL 76 5.739 4.085 9.409 581 HB VAL 76 HB VAL 76 6.388 6.203 7.968 582 1HG1 VAL 76 HG11 VAL 76 7.241 5.741 10.195 583 2HG1 VAL 76 HG12 VAL 76 8.539 6.308 9.144 584 3HG1 VAL 76 HG13 VAL 76 8.403 4.593 9.531 585 1HG2 VAL 76 HG21 VAL 76 8.472 5.888 6.729 586 2HG2 VAL 76 HG22 VAL 76 7.155 4.955 6.017 587 3HG2 VAL 76 HG23 VAL 76 8.375 4.148 7.003 588 H LYS 77 HN LYS 77 3.498 3.712 9.053 589 HA LYS 77 HA LYS 77 2.503 5.917 7.640 590 1HB LYS 77 HB2 LYS 77 2.475 4.452 5.729 591 2HB LYS 77 HB1 LYS 77 1.481 3.304 6.593 592 1HG LYS 77 HG2 LYS 77 -0.178 5.265 6.849 593 2HG LYS 77 HG1 LYS 77 0.756 6.001 5.547 594 1HD LYS 77 HD2 LYS 77 -0.967 4.909 4.434 595 2HD LYS 77 HD1 LYS 77 0.384 3.782 4.306 596 1HE LYS 77 HE2 LYS 77 -1.542 2.512 4.889 597 2HE LYS 77 HE1 LYS 77 -0.522 2.606 6.325 598 1HZ LYS 77 HZ1 LYS 77 -1.943 4.319 7.220 599 2HZ LYS 77 HZ2 LYS 77 -2.896 2.982 6.799 600 3HZ LYS 77 HZ3 LYS 77 -2.874 4.353 5.804 601 HA PRO 78 HA PRO 78 -1.351 4.280 9.944 602 1HB PRO 78 HB2 PRO 78 -0.507 1.701 11.084 603 2HB PRO 78 HB1 PRO 78 -1.980 2.093 10.180 604 1HG PRO 78 HG2 PRO 78 -0.059 0.596 9.088 605 2HG PRO 78 HG1 PRO 78 -0.932 1.806 8.118 606 1HD PRO 78 HD2 PRO 78 1.777 2.032 9.421 607 2HD PRO 78 HD1 PRO 78 1.296 2.466 7.786 608 H LYS 79 HN LYS 79 1.633 3.108 11.320 609 HA LYS 79 HA LYS 79 1.117 3.059 13.993 610 1HB LYS 79 HB2 LYS 79 3.741 4.002 12.841 611 2HB LYS 79 HB1 LYS 79 3.479 3.150 14.357 612 1HG LYS 79 HG2 LYS 79 3.255 2.070 11.554 613 2HG LYS 79 HG1 LYS 79 4.355 1.563 12.842 614 1HD LYS 79 HD2 LYS 79 1.351 1.272 12.950 615 2HD LYS 79 HD1 LYS 79 2.456 -0.006 12.456 616 1HE LYS 79 HE2 LYS 79 3.453 -0.075 14.631 617 2HE LYS 79 HE1 LYS 79 2.564 1.363 15.137 618 1HZ LYS 79 HZ1 LYS 79 1.236 -1.162 14.312 619 2HZ LYS 79 HZ2 LYS 79 0.532 0.177 15.080 620 3HZ LYS 79 HZ3 LYS 79 1.628 -0.803 15.924 621 H GLY 80 HN GLY 80 2.253 5.904 12.167 622 1HA GLY 80 HA2 GLY 80 0.677 7.673 13.686 623 2HA GLY 80 HA1 GLY 80 2.328 7.702 14.299 624 H ALA 81 HN ALA 81 1.356 7.148 10.976 625 HA ALA 81 HA ALA 81 2.026 8.064 9.030 626 1HB ALA 81 HB1 ALA 81 2.063 10.497 8.832 627 2HB ALA 81 HB2 ALA 81 2.037 10.648 10.589 628 3HB ALA 81 HB3 ALA 81 0.655 9.953 9.742 629 H PHE 82 HN PHE 82 3.810 10.256 11.134 630 HA PHE 82 HA PHE 82 5.989 10.681 11.476 631 1HB PHE 82 HB2 PHE 82 5.960 8.138 11.950 632 2HB PHE 82 HB1 PHE 82 6.720 7.978 10.370 633 HD1 PHE 82 HD1 PHE 82 9.000 8.681 10.014 634 HD2 PHE 82 HD2 PHE 82 7.128 9.167 13.802 635 HE1 PHE 82 HE1 PHE 82 11.197 9.106 11.041 636 HE2 PHE 82 HE2 PHE 82 9.316 9.593 14.835 637 HZ PHE 82 HZ PHE 82 11.354 9.566 13.455 638 H LYS 83 HN LYS 83 6.184 8.584 8.624 639 HA LYS 83 HA LYS 83 6.552 10.787 6.839 640 1HB LYS 83 HB2 LYS 83 8.807 10.003 6.037 641 2HB LYS 83 HB1 LYS 83 8.809 10.768 7.620 642 1HG LYS 83 HG2 LYS 83 8.829 8.525 8.660 643 2HG LYS 83 HG1 LYS 83 8.945 7.817 7.047 644 1HD LYS 83 HD2 LYS 83 11.052 8.968 6.667 645 2HD LYS 83 HD1 LYS 83 10.928 9.752 8.244 646 1HE LYS 83 HE2 LYS 83 12.451 7.855 8.337 647 2HE LYS 83 HE1 LYS 83 11.029 7.573 9.339 648 1HZ LYS 83 HZ1 LYS 83 11.374 6.521 6.581 649 2HZ LYS 83 HZ2 LYS 83 10.124 6.150 7.664 650 3HZ LYS 83 HZ3 LYS 83 11.702 5.638 7.994 651 H ALA 84 HN ALA 84 4.559 9.431 6.444 652 HA ALA 84 HA ALA 84 4.639 6.832 5.424 653 1HB ALA 84 HB1 ALA 84 2.562 7.997 6.049 654 2HB ALA 84 HB2 ALA 84 2.473 7.307 4.430 655 3HB ALA 84 HB3 ALA 84 2.734 9.039 4.636 656 H PHE 85 HN PHE 85 5.092 9.934 3.869 657 HA PHE 85 HA PHE 85 6.745 8.619 1.892 658 1HB PHE 85 HB2 PHE 85 5.797 9.887 0.007 659 2HB PHE 85 HB1 PHE 85 4.603 8.809 0.712 660 HD1 PHE 85 HD1 PHE 85 5.455 12.218 -0.086 661 HD2 PHE 85 HD2 PHE 85 2.794 9.755 2.144 662 HE1 PHE 85 HE1 PHE 85 3.889 14.105 0.125 663 HE2 PHE 85 HE2 PHE 85 1.226 11.637 2.362 664 HZ PHE 85 HZ PHE 85 1.774 13.817 1.352 665 H THR 86 HN THR 86 8.581 9.764 1.568 666 HA THR 86 HA THR 86 8.636 12.485 2.656 667 HB THR 86 HB THR 86 9.507 11.184 4.437 668 HG1 THR 86 HG1 THR 86 11.309 12.305 4.707 669 1HG2 THR 86 HG21 THR 86 10.002 9.131 3.134 670 2HG2 THR 86 HG22 THR 86 11.294 9.579 4.246 671 3HG2 THR 86 HG23 THR 86 11.462 9.912 2.523 672 H GLY 87 HN GLY 87 10.464 10.096 0.745 673 1HA GLY 87 HA2 GLY 87 11.596 10.377 -1.244 674 2HA GLY 87 HA1 GLY 87 10.994 12.027 -1.303 675 H GLU 88 HN GLU 88 12.007 13.113 0.962 676 HA GLU 88 HA GLU 88 14.531 13.958 0.204 677 1HB GLU 88 HB2 GLU 88 13.506 13.939 3.047 678 2HB GLU 88 HB1 GLU 88 14.684 15.040 2.354 679 1HG GLU 88 HG2 GLU 88 11.744 14.907 1.727 680 2HG GLU 88 HG1 GLU 88 12.585 16.165 2.620 681 H GLY 89 HN GLY 89 13.697 11.642 2.785 682 1HA GLY 89 HA2 GLY 89 16.515 10.803 2.851 683 2HA GLY 89 HA1 GLY 89 15.328 10.495 4.109 684 H GLN 90 HN GLN 90 14.613 10.007 0.739 685 HA GLN 90 HA GLN 90 14.801 7.092 1.140 686 1HB GLN 90 HB2 GLN 90 12.442 7.841 1.232 687 2HB GLN 90 HB1 GLN 90 12.624 8.572 -0.357 688 1HG GLN 90 HG2 GLN 90 13.184 6.288 -1.234 689 2HG GLN 90 HG1 GLN 90 12.721 5.653 0.345 690 1HE2 GLN 90 HE21 GLN 90 11.609 7.027 -2.628 691 2HE2 GLN 90 HE22 GLN 90 9.924 6.773 -2.353 692 H LYS 91 HN LYS 91 14.072 9.381 -1.462 693 HA LYS 91 HA LYS 91 16.456 8.772 -2.904 694 1HB LYS 91 HB2 LYS 91 14.868 6.800 -3.358 695 2HB LYS 91 HB1 LYS 91 13.879 7.954 -4.241 696 1HG LYS 91 HG2 LYS 91 15.647 8.371 -5.804 697 2HG LYS 91 HG1 LYS 91 16.768 7.389 -4.859 698 1HD LYS 91 HD2 LYS 91 16.060 6.026 -6.662 699 2HD LYS 91 HD1 LYS 91 15.198 5.444 -5.237 700 1HE LYS 91 HE2 LYS 91 13.607 5.519 -6.983 701 2HE LYS 91 HE1 LYS 91 13.275 6.914 -5.956 702 1HZ LYS 91 HZ1 LYS 91 14.527 8.293 -7.525 703 2HZ LYS 91 HZ2 LYS 91 13.200 7.547 -8.265 704 3HZ LYS 91 HZ3 LYS 91 14.759 6.942 -8.527 705 H LEU 92 HN LEU 92 16.712 10.971 -2.826 706 HA LEU 92 HA LEU 92 14.719 12.845 -3.562 707 1HB LEU 92 HB2 LEU 92 16.895 13.173 -2.185 708 2HB LEU 92 HB1 LEU 92 17.687 13.334 -3.738 709 HG LEU 92 HG LEU 92 17.113 15.492 -2.585 710 1HD1 LEU 92 HD11 LEU 92 17.570 15.446 -4.967 711 2HD1 LEU 92 HD12 LEU 92 16.300 16.613 -4.599 712 3HD1 LEU 92 HD13 LEU 92 15.883 15.048 -5.298 713 1HD2 LEU 92 HD21 LEU 92 14.966 14.869 -1.654 714 2HD2 LEU 92 HD22 LEU 92 14.298 14.665 -3.274 715 3HD2 LEU 92 HD23 LEU 92 14.787 16.265 -2.717 716 H GLY 93 HN GLY 93 17.347 11.232 -5.257 717 1HA GLY 93 HA2 GLY 93 16.034 11.951 -7.787 718 2HA GLY 93 HA1 GLY 93 17.756 12.256 -7.603 719 H SER 94 HN SER 94 19.164 10.439 -7.262 720 HA SER 94 HA SER 94 18.100 7.808 -7.850 721 1HB SER 94 HB2 SER 94 19.679 7.543 -9.804 722 2HB SER 94 HB1 SER 94 18.329 8.639 -10.095 723 HG SER 94 HG SER 94 19.742 10.131 -10.499 724 H THR 95 HN THR 95 21.178 9.592 -7.907 725 HA THR 95 HA THR 95 23.225 9.158 -7.039 726 HB THR 95 HB THR 95 21.843 7.525 -4.902 727 HG1 THR 95 HG1 THR 95 21.037 9.820 -5.434 728 1HG2 THR 95 HG21 THR 95 24.295 7.478 -4.873 729 2HG2 THR 95 HG22 THR 95 23.670 8.373 -3.489 730 3HG2 THR 95 HG23 THR 95 24.336 9.241 -4.872 731 H ALA 96 HN ALA 96 22.860 7.771 -9.138 732 HA ALA 96 HA ALA 96 23.964 5.117 -8.580 733 1HB ALA 96 HB1 ALA 96 21.543 4.806 -8.918 734 2HB ALA 96 HB2 ALA 96 22.492 4.054 -10.200 735 3HB ALA 96 HB3 ALA 96 21.674 5.590 -10.491 736 HA PRO 97 HA PRO 97 26.117 7.789 -11.762 737 1HB PRO 97 HB2 PRO 97 28.649 7.122 -10.953 738 2HB PRO 97 HB1 PRO 97 27.723 8.478 -10.300 739 1HG PRO 97 HG2 PRO 97 28.143 5.746 -9.167 740 2HG PRO 97 HG1 PRO 97 28.108 7.312 -8.337 741 1HD PRO 97 HD2 PRO 97 26.012 5.605 -8.308 742 2HD PRO 97 HD1 PRO 97 25.805 7.368 -8.274 743 H GLN 98 HN GLN 98 27.853 4.835 -10.775 744 HA GLN 98 HA GLN 98 27.309 3.581 -13.324 745 1HB GLN 98 HB2 GLN 98 29.723 3.235 -13.821 746 2HB GLN 98 HB1 GLN 98 29.228 4.919 -13.926 747 1HG GLN 98 HG2 GLN 98 30.187 5.352 -11.733 748 2HG GLN 98 HG1 GLN 98 30.663 3.659 -11.598 749 1HE2 GLN 98 HE21 GLN 98 31.286 6.705 -13.127 750 2HE2 GLN 98 HE22 GLN 98 32.827 6.282 -13.807 751 H VAL 99 HN VAL 99 27.805 1.360 -13.341 752 HA VAL 99 HA VAL 99 27.957 -0.733 -12.470 753 HB VAL 99 HB VAL 99 29.363 0.549 -10.116 754 1HG1 VAL 99 HG11 VAL 99 28.456 -1.658 -9.585 755 2HG1 VAL 99 HG12 VAL 99 30.217 -1.696 -9.668 756 3HG1 VAL 99 HG13 VAL 99 29.260 -2.335 -11.004 757 1HG2 VAL 99 HG21 VAL 99 30.489 -0.759 -12.591 758 2HG2 VAL 99 HG22 VAL 99 31.430 -0.182 -11.216 759 3HG2 VAL 99 HG23 VAL 99 30.534 0.963 -12.214 760 H LEU 100 HN LEU 100 27.370 1.467 -9.726 761 HA LEU 100 HA LEU 100 25.207 -0.168 -8.739 762 1HB LEU 100 HB2 LEU 100 26.113 2.612 -7.950 763 2HB LEU 100 HB1 LEU 100 24.860 1.703 -7.132 764 HG LEU 100 HG LEU 100 26.663 -0.064 -6.686 765 1HD1 LEU 100 HD11 LEU 100 28.961 0.753 -6.621 766 2HD1 LEU 100 HD12 LEU 100 28.449 2.268 -7.366 767 3HD1 LEU 100 HD13 LEU 100 28.329 0.757 -8.267 768 1HD2 LEU 100 HD21 LEU 100 25.731 1.370 -4.962 769 2HD2 LEU 100 HD22 LEU 100 26.860 2.653 -5.398 770 3HD2 LEU 100 HD23 LEU 100 27.462 1.143 -4.712 771 H SER 101 HN SER 101 23.263 -0.147 -9.622 772 HA SER 101 HA SER 101 22.313 2.347 -10.864 773 1HB SER 101 HB2 SER 101 22.955 0.733 -12.617 774 2HB SER 101 HB1 SER 101 21.872 -0.465 -11.911 775 HG SER 101 HG SER 101 21.161 1.026 -13.765 776 H THR 102 HN THR 102 20.458 3.038 -10.069 777 HA THR 102 HA THR 102 19.056 1.556 -8.091 778 HB THR 102 HB THR 102 18.149 4.083 -9.480 779 HG1 THR 102 HG1 THR 102 19.975 3.635 -7.354 780 1HG2 THR 102 HG21 THR 102 17.496 2.959 -6.751 781 2HG2 THR 102 HG22 THR 102 16.418 2.954 -8.149 782 3HG2 THR 102 HG23 THR 102 16.906 4.482 -7.414 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 4.924 -9.809 11.836 2 2H GLY 1 HT2 GLY 1 5.098 -10.646 10.370 3 3H GLY 1 HT3 GLY 1 6.227 -9.463 10.811 4 1HA GLY 1 HA1 GLY 1 7.071 -11.729 11.137 5 2HA GLY 1 HA2 GLY 1 7.034 -10.773 12.611 6 H SER 2 HN SER 2 6.377 -13.728 11.372 7 HA SER 2 HA SER 2 5.228 -14.738 13.704 8 1HB SER 2 HB2 SER 2 3.184 -13.549 12.904 9 2HB SER 2 HB1 SER 2 3.234 -14.507 11.425 10 HG SER 2 HG SER 2 1.889 -15.632 12.711 11 H GLU 3 HN GLU 3 4.529 -15.427 10.293 12 HA GLU 3 HA GLU 3 6.315 -17.737 10.427 13 1HB GLU 3 HB2 GLU 3 4.608 -19.077 9.168 14 2HB GLU 3 HB1 GLU 3 4.189 -18.728 10.838 15 1HG GLU 3 HG2 GLU 3 2.807 -16.814 9.978 16 2HG GLU 3 HG1 GLU 3 3.084 -17.448 8.355 17 H LYS 4 HN LYS 4 4.634 -15.313 8.559 18 HA LYS 4 HA LYS 4 6.038 -15.908 6.127 19 1HB LYS 4 HB2 LYS 4 3.879 -14.735 6.083 20 2HB LYS 4 HB1 LYS 4 4.571 -13.403 7.001 21 1HG LYS 4 HG2 LYS 4 6.100 -12.929 5.142 22 2HG LYS 4 HG1 LYS 4 5.380 -14.251 4.224 23 1HD LYS 4 HD2 LYS 4 4.481 -12.072 3.547 24 2HD LYS 4 HD1 LYS 4 3.227 -13.108 4.231 25 1HE LYS 4 HE2 LYS 4 3.330 -11.921 6.327 26 2HE LYS 4 HE1 LYS 4 4.702 -10.969 5.761 27 1HZ LYS 4 HZ1 LYS 4 2.392 -9.918 5.683 28 2HZ LYS 4 HZ2 LYS 4 2.118 -10.907 4.330 29 3HZ LYS 4 HZ3 LYS 4 3.372 -9.768 4.305 30 H ARG 5 HN ARG 5 8.187 -16.054 6.872 31 HA ARG 5 HA ARG 5 9.429 -13.622 7.908 32 1HB ARG 5 HB2 ARG 5 10.293 -16.489 7.730 33 2HB ARG 5 HB1 ARG 5 11.478 -15.216 7.991 34 1HG ARG 5 HG2 ARG 5 9.105 -15.813 9.746 35 2HG ARG 5 HG1 ARG 5 10.787 -16.224 10.089 36 1HD ARG 5 HD2 ARG 5 9.660 -13.446 9.766 37 2HD ARG 5 HD1 ARG 5 10.120 -14.209 11.287 38 HE ARG 5 HE ARG 5 12.429 -14.337 10.062 39 1HH1 ARG 5 HH11 ARG 5 10.135 -11.681 10.023 40 2HH1 ARG 5 HH12 ARG 5 11.353 -10.467 9.763 41 1HH2 ARG 5 HH21 ARG 5 14.032 -12.727 9.755 42 2HH2 ARG 5 HH22 ARG 5 13.561 -11.054 9.650 43 H GLN 6 HN GLN 6 11.916 -13.651 7.019 44 HA GLN 6 HA GLN 6 13.258 -12.949 5.340 45 1HB GLN 6 HB2 GLN 6 11.486 -14.805 3.752 46 2HB GLN 6 HB1 GLN 6 12.885 -13.992 3.065 47 1HG GLN 6 HG2 GLN 6 14.329 -15.112 4.696 48 2HG GLN 6 HG1 GLN 6 12.921 -15.933 5.367 49 1HE2 GLN 6 HE21 GLN 6 15.344 -17.012 4.108 50 2HE2 GLN 6 HE22 GLN 6 14.792 -17.995 2.794 51 H HIS 7 HN HIS 7 13.001 -12.133 2.851 52 HA HIS 7 HA HIS 7 10.534 -10.596 2.569 53 1HB HIS 7 HB2 HIS 7 11.766 -8.564 1.912 54 2HB HIS 7 HB1 HIS 7 12.097 -9.007 3.579 55 HD1 HIS 7 HD1 HIS 7 13.724 -8.317 0.362 56 HD2 HIS 7 HD2 HIS 7 14.746 -10.072 3.992 57 HE1 HIS 7 HE1 HIS 7 16.235 -8.429 0.380 58 HE2 HIS 7 HE2 HIS 7 16.834 -9.340 2.654 59 H SER 8 HN SER 8 9.914 -10.315 0.446 60 HA SER 8 HA SER 8 10.579 -12.277 -1.373 61 1HB SER 8 HB2 SER 8 8.579 -10.605 -1.288 62 2HB SER 8 HB1 SER 8 9.607 -9.576 -2.282 63 HG SER 8 HG SER 8 8.067 -11.564 -3.069 64 H SER 9 HN SER 9 12.315 -12.618 -2.607 65 HA SER 9 HA SER 9 14.084 -10.356 -3.225 66 1HB SER 9 HB2 SER 9 14.921 -12.973 -1.945 67 2HB SER 9 HB1 SER 9 16.035 -11.739 -2.536 68 HG SER 9 HG SER 9 14.150 -11.524 -0.422 69 H GLN 10 HN GLN 10 12.375 -11.528 -5.075 70 HA GLN 10 HA GLN 10 14.419 -12.415 -6.959 71 1HB GLN 10 HB2 GLN 10 11.788 -13.842 -6.537 72 2HB GLN 10 HB1 GLN 10 12.797 -14.059 -7.960 73 1HG GLN 10 HG2 GLN 10 14.608 -14.878 -6.566 74 2HG GLN 10 HG1 GLN 10 13.615 -14.643 -5.132 75 1HE2 GLN 10 HE21 GLN 10 11.850 -16.033 -4.781 76 2HE2 GLN 10 HE22 GLN 10 11.717 -17.549 -5.597 77 H ASP 11 HN ASP 11 13.697 -9.894 -6.934 78 HA ASP 11 HA ASP 11 12.822 -8.144 -8.083 79 1HB ASP 11 HB2 ASP 11 12.184 -10.345 -10.041 80 2HB ASP 11 HB1 ASP 11 12.004 -8.632 -10.401 81 H VAL 12 HN VAL 12 11.036 -7.184 -7.160 82 HA VAL 12 HA VAL 12 8.742 -8.987 -6.717 83 HB VAL 12 HB VAL 12 8.552 -8.359 -4.491 84 1HG1 VAL 12 HG11 VAL 12 11.516 -8.371 -5.036 85 2HG1 VAL 12 HG12 VAL 12 10.486 -9.797 -4.910 86 3HG1 VAL 12 HG13 VAL 12 10.733 -8.761 -3.504 87 1HG2 VAL 12 HG21 VAL 12 9.759 -6.487 -3.452 88 2HG2 VAL 12 HG22 VAL 12 8.695 -5.944 -4.751 89 3HG2 VAL 12 HG23 VAL 12 10.432 -6.061 -5.026 90 H HIS 13 HN HIS 13 6.761 -7.977 -6.046 91 HA HIS 13 HA HIS 13 6.308 -5.358 -7.315 92 1HB HIS 13 HB2 HIS 13 5.117 -7.219 -8.406 93 2HB HIS 13 HB1 HIS 13 4.375 -7.652 -6.872 94 HD1 HIS 13 HD1 HIS 13 2.252 -6.442 -6.227 95 HD2 HIS 13 HD2 HIS 13 4.156 -4.750 -9.519 96 HE1 HIS 13 HE1 HIS 13 0.621 -4.780 -7.177 97 HE2 HIS 13 HE2 HIS 13 1.696 -3.963 -9.310 98 H VAL 14 HN VAL 14 6.042 -3.793 -5.894 99 HA VAL 14 HA VAL 14 4.976 -4.407 -3.220 100 HB VAL 14 HB VAL 14 6.486 -1.945 -4.140 101 1HG1 VAL 14 HG11 VAL 14 6.716 -1.456 -1.745 102 2HG1 VAL 14 HG12 VAL 14 5.702 -2.852 -1.374 103 3HG1 VAL 14 HG13 VAL 14 5.027 -1.482 -2.257 104 1HG2 VAL 14 HG21 VAL 14 7.896 -3.953 -4.190 105 2HG2 VAL 14 HG22 VAL 14 7.488 -4.271 -2.504 106 3HG2 VAL 14 HG23 VAL 14 8.402 -2.825 -2.933 107 H VAL 15 HN VAL 15 3.314 -2.985 -2.372 108 HA VAL 15 HA VAL 15 1.927 -1.471 -4.464 109 HB VAL 15 HB VAL 15 0.862 -3.649 -4.247 110 1HG1 VAL 15 HG11 VAL 15 -0.330 -4.273 -2.196 111 2HG1 VAL 15 HG12 VAL 15 0.418 -2.903 -1.372 112 3HG1 VAL 15 HG13 VAL 15 1.420 -4.218 -1.989 113 1HG2 VAL 15 HG21 VAL 15 -0.509 -1.731 -4.838 114 2HG2 VAL 15 HG22 VAL 15 -0.820 -1.412 -3.130 115 3HG2 VAL 15 HG23 VAL 15 -1.435 -2.887 -3.878 116 H LEU 16 HN LEU 16 0.958 0.382 -3.867 117 HA LEU 16 HA LEU 16 1.457 1.319 -1.129 118 1HB LEU 16 HB2 LEU 16 2.144 2.492 -3.444 119 2HB LEU 16 HB1 LEU 16 0.530 3.149 -3.277 120 HG LEU 16 HG LEU 16 2.966 3.660 -1.646 121 1HD1 LEU 16 HD11 LEU 16 2.390 5.299 -3.284 122 2HD1 LEU 16 HD12 LEU 16 1.987 5.963 -1.695 123 3HD1 LEU 16 HD13 LEU 16 0.715 5.333 -2.738 124 1HD2 LEU 16 HD21 LEU 16 1.697 4.558 0.168 125 2HD2 LEU 16 HD22 LEU 16 1.378 2.834 -0.005 126 3HD2 LEU 16 HD23 LEU 16 0.189 4.012 -0.567 127 H LYS 17 HN LYS 17 -0.252 1.250 0.170 128 HA LYS 17 HA LYS 17 -2.951 1.367 -0.989 129 1HB LYS 17 HB2 LYS 17 -2.120 0.454 1.779 130 2HB LYS 17 HB1 LYS 17 -3.709 0.283 1.040 131 1HG LYS 17 HG2 LYS 17 -3.131 -1.577 -0.036 132 2HG LYS 17 HG1 LYS 17 -1.585 -0.903 -0.556 133 1HD LYS 17 HD2 LYS 17 -0.735 -1.322 1.770 134 2HD LYS 17 HD1 LYS 17 -2.243 -2.196 2.089 135 1HE LYS 17 HE2 LYS 17 -1.738 -3.851 0.488 136 2HE LYS 17 HE1 LYS 17 -0.469 -2.878 -0.248 137 1HZ LYS 17 HZ1 LYS 17 0.815 -3.157 1.840 138 2HZ LYS 17 HZ2 LYS 17 0.534 -4.620 1.019 139 3HZ LYS 17 HZ3 LYS 17 -0.373 -4.228 2.396 140 H LEU 18 HN LEU 18 -4.201 3.096 -0.574 141 HA LEU 18 HA LEU 18 -3.068 5.214 1.108 142 1HB LEU 18 HB2 LEU 18 -5.177 5.172 -1.043 143 2HB LEU 18 HB1 LEU 18 -4.824 6.595 -0.086 144 HG LEU 18 HG LEU 18 -2.728 5.217 -1.754 145 1HD1 LEU 18 HD11 LEU 18 -4.527 7.510 -2.534 146 2HD1 LEU 18 HD12 LEU 18 -4.559 5.886 -3.222 147 3HD1 LEU 18 HD13 LEU 18 -3.148 6.919 -3.460 148 1HD2 LEU 18 HD21 LEU 18 -2.957 7.999 -0.611 149 2HD2 LEU 18 HD22 LEU 18 -1.621 7.391 -1.595 150 3HD2 LEU 18 HD23 LEU 18 -1.921 6.708 0.003 151 H TRP 19 HN TRP 19 -4.189 6.067 2.829 152 HA TRP 19 HA TRP 19 -6.823 4.904 3.432 153 1HB TRP 19 HB2 TRP 19 -4.791 5.374 5.592 154 2HB TRP 19 HB1 TRP 19 -6.248 4.394 5.658 155 HD1 TRP 19 HD1 TRP 19 -2.600 4.246 4.950 156 HE1 TRP 19 HE1 TRP 19 -1.917 1.839 4.460 157 HE3 TRP 19 HE3 TRP 19 -7.241 2.185 4.300 158 HZ2 TRP 19 HZ2 TRP 19 -3.147 -0.613 3.876 159 HZ3 TRP 19 HZ3 TRP 19 -7.380 -0.214 3.735 160 HH2 TRP 19 HH2 TRP 19 -5.356 -1.579 3.503 161 H LYS 20 HN LYS 20 -7.445 6.143 5.706 162 HA LYS 20 HA LYS 20 -7.826 8.833 4.824 163 1HB LYS 20 HB2 LYS 20 -9.134 9.023 6.986 164 2HB LYS 20 HB1 LYS 20 -9.711 7.851 5.814 165 1HG LYS 20 HG2 LYS 20 -9.886 6.675 7.774 166 2HG LYS 20 HG1 LYS 20 -8.301 6.162 7.199 167 1HD LYS 20 HD2 LYS 20 -7.194 7.661 8.709 168 2HD LYS 20 HD1 LYS 20 -8.731 8.405 9.168 169 1HE LYS 20 HE2 LYS 20 -9.443 6.133 10.003 170 2HE LYS 20 HE1 LYS 20 -7.775 5.613 9.767 171 1HZ LYS 20 HZ1 LYS 20 -8.305 6.340 12.062 172 2HZ LYS 20 HZ2 LYS 20 -8.573 7.906 11.477 173 3HZ LYS 20 HZ3 LYS 20 -7.029 7.207 11.356 174 H SER 21 HN SER 21 -5.692 7.258 7.058 175 HA SER 21 HA SER 21 -4.869 9.815 8.204 176 1HB SER 21 HB2 SER 21 -3.807 7.043 8.811 177 2HB SER 21 HB1 SER 21 -3.510 8.511 9.739 178 HG SER 21 HG SER 21 -5.173 7.809 10.835 179 H GLY 22 HN GLY 22 -3.573 7.154 6.277 180 1HA GLY 22 HA2 GLY 22 -1.699 8.865 4.971 181 2HA GLY 22 HA1 GLY 22 -0.924 7.807 6.141 182 H PHE 23 HN PHE 23 0.162 6.497 4.801 183 HA PHE 23 HA PHE 23 -1.450 4.831 3.003 184 1HB PHE 23 HB2 PHE 23 0.284 4.995 1.282 185 2HB PHE 23 HB1 PHE 23 -0.377 6.579 1.624 186 HD1 PHE 23 HD1 PHE 23 0.893 8.095 3.180 187 HD2 PHE 23 HD2 PHE 23 2.593 4.577 1.471 188 HE1 PHE 23 HE1 PHE 23 3.131 8.927 3.714 189 HE2 PHE 23 HE2 PHE 23 4.833 5.412 2.016 190 HZ PHE 23 HZ PHE 23 5.108 7.587 3.135 191 H SER 24 HN SER 24 -0.737 2.753 2.732 192 HA SER 24 HA SER 24 1.564 1.885 4.388 193 1HB SER 24 HB2 SER 24 -0.598 1.034 5.251 194 2HB SER 24 HB1 SER 24 -0.980 0.378 3.663 195 HG SER 24 HG SER 24 1.419 -0.442 4.832 196 H LEU 25 HN LEU 25 2.911 0.360 3.497 197 HA LEU 25 HA LEU 25 2.689 0.091 0.586 198 1HB LEU 25 HB2 LEU 25 5.089 -0.369 2.369 199 2HB LEU 25 HB1 LEU 25 5.077 -0.425 0.620 200 HG LEU 25 HG LEU 25 6.101 1.613 1.231 201 1HD1 LEU 25 HD11 LEU 25 3.263 2.249 0.486 202 2HD1 LEU 25 HD12 LEU 25 4.538 1.754 -0.627 203 3HD1 LEU 25 HD13 LEU 25 4.675 3.280 0.246 204 1HD2 LEU 25 HD21 LEU 25 3.733 2.178 3.008 205 2HD2 LEU 25 HD22 LEU 25 5.081 3.276 2.695 206 3HD2 LEU 25 HD23 LEU 25 5.361 1.754 3.539 207 H ASP 26 HN ASP 26 4.131 -2.198 0.124 208 HA ASP 26 HA ASP 26 2.594 -4.196 1.580 209 1HB ASP 26 HB2 ASP 26 3.267 -4.133 -1.021 210 2HB ASP 26 HB1 ASP 26 4.615 -5.085 -0.393 211 H ASN 27 HN ASN 27 5.371 -2.540 1.912 212 HA ASN 27 HA ASN 27 6.826 -4.618 3.370 213 1HB ASN 27 HB2 ASN 27 8.605 -2.741 3.457 214 2HB ASN 27 HB1 ASN 27 8.294 -3.499 1.897 215 1HD2 ASN 27 HD21 ASN 27 7.800 -0.620 3.838 216 2HD2 ASN 27 HD22 ASN 27 7.313 0.418 2.535 217 H GLY 28 HN GLY 28 5.202 -1.539 3.779 218 1HA GLY 28 HA2 GLY 28 5.695 -1.702 6.683 219 2HA GLY 28 HA1 GLY 28 5.830 -0.183 5.809 220 H GLU 29 HN GLU 29 4.185 -0.425 7.958 221 HA GLU 29 HA GLU 29 1.511 -1.133 7.152 222 1HB GLU 29 HB2 GLU 29 2.599 0.115 9.672 223 2HB GLU 29 HB1 GLU 29 0.917 -0.342 9.444 224 1HG GLU 29 HG2 GLU 29 1.555 -2.663 9.184 225 2HG GLU 29 HG1 GLU 29 3.258 -2.226 9.345 226 H LEU 30 HN LEU 30 -0.123 0.650 8.247 227 HA LEU 30 HA LEU 30 -0.268 2.773 6.401 228 1HB LEU 30 HB2 LEU 30 -2.172 1.713 7.590 229 2HB LEU 30 HB1 LEU 30 -1.665 2.458 9.073 230 HG LEU 30 HG LEU 30 -2.958 3.708 6.669 231 1HD1 LEU 30 HD11 LEU 30 -4.578 3.032 8.157 232 2HD1 LEU 30 HD12 LEU 30 -4.352 4.734 8.549 233 3HD1 LEU 30 HD13 LEU 30 -3.626 3.490 9.567 234 1HD2 LEU 30 HD21 LEU 30 -1.658 5.267 8.880 235 2HD2 LEU 30 HD22 LEU 30 -2.641 5.914 7.565 236 3HD2 LEU 30 HD23 LEU 30 -1.086 5.163 7.215 237 H ARG 31 HN ARG 31 1.023 4.391 6.315 238 HA ARG 31 HA ARG 31 2.050 5.591 8.794 239 1HB ARG 31 HB2 ARG 31 3.202 5.573 6.002 240 2HB ARG 31 HB1 ARG 31 3.892 6.431 7.370 241 1HG ARG 31 HG2 ARG 31 4.224 4.295 8.529 242 2HG ARG 31 HG1 ARG 31 3.569 3.452 7.120 243 1HD ARG 31 HD2 ARG 31 5.363 4.270 5.737 244 2HD ARG 31 HD1 ARG 31 5.979 5.273 7.051 245 HE ARG 31 HE ARG 31 5.871 2.395 7.550 246 1HH1 ARG 31 HH11 ARG 31 7.785 5.209 6.758 247 2HH1 ARG 31 HH12 ARG 31 9.316 4.402 6.939 248 1HH2 ARG 31 HH21 ARG 31 7.896 1.306 7.795 249 2HH2 ARG 31 HH22 ARG 31 9.372 2.175 7.490 250 H SER 32 HN SER 32 0.922 7.357 9.275 251 HA SER 32 HA SER 32 -0.820 8.745 7.618 252 1HB SER 32 HB2 SER 32 -1.041 8.984 9.975 253 2HB SER 32 HB1 SER 32 0.613 9.588 10.138 254 HG SER 32 HG SER 32 -1.457 11.059 10.002 255 H TYR 33 HN TYR 33 -0.731 10.595 6.417 256 HA TYR 33 HA TYR 33 1.583 10.897 4.852 257 1HB TYR 33 HB2 TYR 33 -0.760 12.795 5.066 258 2HB TYR 33 HB1 TYR 33 0.402 12.733 3.750 259 HD1 TYR 33 HD1 TYR 33 -2.808 11.857 4.688 260 HD2 TYR 33 HD2 TYR 33 0.564 10.243 2.652 261 HE1 TYR 33 HE1 TYR 33 -4.282 10.308 3.483 262 HE2 TYR 33 HE2 TYR 33 -0.903 8.681 1.445 263 HH TYR 33 HH TYR 33 -4.262 9.021 1.363 264 H GLN 34 HN GLN 34 0.787 12.320 7.840 265 HA GLN 34 HA GLN 34 2.066 14.859 7.386 266 1HB GLN 34 HB2 GLN 34 1.113 13.576 9.945 267 2HB GLN 34 HB1 GLN 34 1.597 15.258 9.761 268 1HG GLN 34 HG2 GLN 34 -0.234 15.610 8.181 269 2HG GLN 34 HG1 GLN 34 -0.722 13.929 8.377 270 1HE2 GLN 34 HE21 GLN 34 -0.096 13.970 11.252 271 2HE2 GLN 34 HE22 GLN 34 -1.396 14.839 11.994 272 H ASP 35 HN ASP 35 2.984 11.784 8.750 273 HA ASP 35 HA ASP 35 5.166 12.650 10.311 274 1HB ASP 35 HB2 ASP 35 4.092 10.439 10.545 275 2HB ASP 35 HB1 ASP 35 4.764 9.961 8.993 276 HA PRO 36 HA PRO 36 8.080 13.995 7.337 277 1HB PRO 36 HB2 PRO 36 10.081 13.093 9.338 278 2HB PRO 36 HB1 PRO 36 9.867 14.678 8.588 279 1HG PRO 36 HG2 PRO 36 9.126 14.274 11.105 280 2HG PRO 36 HG1 PRO 36 8.134 15.266 10.018 281 1HD PRO 36 HD2 PRO 36 7.720 12.438 10.911 282 2HD PRO 36 HD1 PRO 36 6.529 13.738 10.702 283 H SER 37 HN SER 37 8.376 10.729 8.678 284 HA SER 37 HA SER 37 10.484 10.001 6.834 285 1HB SER 37 HB2 SER 37 10.258 8.951 9.090 286 2HB SER 37 HB1 SER 37 8.733 8.239 8.567 287 HG SER 37 HG SER 37 11.139 7.825 7.137 288 H ASN 38 HN ASN 38 7.076 9.995 7.031 289 HA ASN 38 HA ASN 38 6.661 8.164 4.855 290 1HB ASN 38 HB2 ASN 38 4.671 10.016 6.169 291 2HB ASN 38 HB1 ASN 38 4.313 8.587 5.200 292 1HD2 ASN 38 HD21 ASN 38 3.448 9.083 7.857 293 2HD2 ASN 38 HD22 ASN 38 4.139 7.852 8.863 294 H ALA 39 HN ALA 39 6.953 11.584 5.344 295 HA ALA 39 HA ALA 39 6.065 12.515 2.854 296 1HB ALA 39 HB1 ALA 39 8.339 13.577 4.532 297 2HB ALA 39 HB2 ALA 39 6.638 13.999 4.722 298 3HB ALA 39 HB3 ALA 39 7.497 14.449 3.250 299 H GLN 40 HN GLN 40 9.005 10.915 3.839 300 HA GLN 40 HA GLN 40 10.627 11.315 1.612 301 1HB GLN 40 HB2 GLN 40 11.519 10.270 3.571 302 2HB GLN 40 HB1 GLN 40 10.339 8.980 3.499 303 1HG GLN 40 HG2 GLN 40 12.274 9.321 1.256 304 2HG GLN 40 HG1 GLN 40 12.823 8.599 2.760 305 1HE2 GLN 40 HE21 GLN 40 10.382 7.168 3.344 306 2HE2 GLN 40 HE22 GLN 40 10.237 5.903 2.176 307 H PHE 41 HN PHE 41 8.259 8.738 2.233 308 HA PHE 41 HA PHE 41 8.422 7.477 -0.270 309 1HB PHE 41 HB2 PHE 41 6.069 7.749 1.598 310 2HB PHE 41 HB1 PHE 41 6.105 6.687 0.204 311 HD1 PHE 41 HD1 PHE 41 7.774 4.789 0.188 312 HD2 PHE 41 HD2 PHE 41 6.892 7.062 3.668 313 HE1 PHE 41 HE1 PHE 41 8.596 2.960 1.594 314 HE2 PHE 41 HE2 PHE 41 7.730 5.244 5.076 315 HZ PHE 41 HZ PHE 41 8.581 3.187 4.042 316 H LEU 42 HN LEU 42 6.007 9.778 0.946 317 HA LEU 42 HA LEU 42 4.450 10.039 -1.292 318 1HB LEU 42 HB2 LEU 42 5.149 12.081 0.802 319 2HB LEU 42 HB1 LEU 42 3.916 12.344 -0.415 320 HG LEU 42 HG LEU 42 3.887 10.154 1.662 321 1HD1 LEU 42 HD11 LEU 42 2.051 11.419 2.657 322 2HD1 LEU 42 HD12 LEU 42 2.267 12.690 1.455 323 3HD1 LEU 42 HD13 LEU 42 3.538 12.366 2.634 324 1HD2 LEU 42 HD21 LEU 42 2.783 9.512 -0.429 325 2HD2 LEU 42 HD22 LEU 42 1.801 10.976 -0.357 326 3HD2 LEU 42 HD23 LEU 42 1.618 9.731 0.879 327 H GLU 43 HN GLU 43 7.352 11.902 -0.491 328 HA GLU 43 HA GLU 43 7.289 13.592 -2.737 329 1HB GLU 43 HB2 GLU 43 8.722 14.074 -0.829 330 2HB GLU 43 HB1 GLU 43 9.655 12.613 -1.134 331 1HG GLU 43 HG2 GLU 43 10.391 13.519 -3.276 332 2HG GLU 43 HG1 GLU 43 9.451 14.982 -2.977 333 H SER 44 HN SER 44 9.337 10.693 -2.213 334 HA SER 44 HA SER 44 10.360 10.647 -4.807 335 1HB SER 44 HB2 SER 44 9.983 8.436 -2.788 336 2HB SER 44 HB1 SER 44 10.916 8.251 -4.278 337 HG SER 44 HG SER 44 11.928 10.363 -3.329 338 H ILE 45 HN ILE 45 7.438 9.184 -3.485 339 HA ILE 45 HA ILE 45 6.837 7.580 -5.749 340 HB ILE 45 HB ILE 45 5.081 8.588 -3.506 341 1HG1 ILE 45 HG12 ILE 45 6.266 5.848 -4.040 342 2HG1 ILE 45 HG11 ILE 45 6.950 7.026 -2.929 343 1HG2 ILE 45 HG21 ILE 45 3.658 8.123 -5.401 344 2HG2 ILE 45 HG22 ILE 45 3.478 6.836 -4.207 345 3HG2 ILE 45 HG23 ILE 45 4.449 6.567 -5.654 346 1HD1 ILE 45 HD11 ILE 45 5.718 5.339 -1.718 347 2HD1 ILE 45 HD12 ILE 45 4.270 5.671 -2.669 348 3HD1 ILE 45 HD13 ILE 45 4.901 6.895 -1.569 349 H ARG 46 HN ARG 46 6.078 10.932 -4.922 350 HA ARG 46 HA ARG 46 4.314 11.197 -7.212 351 1HB ARG 46 HB2 ARG 46 3.988 13.480 -6.557 352 2HB ARG 46 HB1 ARG 46 3.927 12.487 -5.109 353 1HG ARG 46 HG2 ARG 46 6.246 13.123 -4.602 354 2HG ARG 46 HG1 ARG 46 6.255 14.158 -6.031 355 1HD ARG 46 HD2 ARG 46 4.341 14.444 -3.720 356 2HD ARG 46 HD1 ARG 46 5.829 15.370 -3.903 357 HE ARG 46 HE ARG 46 4.075 15.557 -6.178 358 1HH1 ARG 46 HH11 ARG 46 4.872 16.878 -3.022 359 2HH1 ARG 46 HH12 ARG 46 4.074 18.400 -3.321 360 1HH2 ARG 46 HH21 ARG 46 3.032 17.556 -6.567 361 2HH2 ARG 46 HH22 ARG 46 3.077 18.796 -5.349 362 H ARG 47 HN ARG 47 7.672 11.833 -6.468 363 HA ARG 47 HA ARG 47 8.140 13.491 -8.751 364 1HB ARG 47 HB2 ARG 47 10.147 11.965 -7.111 365 2HB ARG 47 HB1 ARG 47 10.498 13.277 -8.219 366 1HG ARG 47 HG2 ARG 47 9.024 13.433 -5.604 367 2HG ARG 47 HG1 ARG 47 10.594 14.130 -6.001 368 1HD ARG 47 HD2 ARG 47 7.991 14.899 -7.307 369 2HD ARG 47 HD1 ARG 47 8.745 15.785 -5.983 370 HE ARG 47 HE ARG 47 10.181 15.391 -8.525 371 1HH1 ARG 47 HH11 ARG 47 8.785 17.503 -6.097 372 2HH1 ARG 47 HH12 ARG 47 9.468 18.950 -6.785 373 1HH2 ARG 47 HH21 ARG 47 11.081 17.276 -9.423 374 2HH2 ARG 47 HH22 ARG 47 10.764 18.821 -8.687 375 H GLY 48 HN GLY 48 8.108 10.080 -8.158 376 1HA GLY 48 HA2 GLY 48 7.933 8.547 -10.012 377 2HA GLY 48 HA1 GLY 48 8.965 9.626 -10.943 378 H GLU 49 HN GLU 49 9.914 9.221 -7.724 379 HA GLU 49 HA GLU 49 12.251 7.697 -8.568 380 1HB GLU 49 HB2 GLU 49 11.654 9.061 -5.941 381 2HB GLU 49 HB1 GLU 49 13.191 8.351 -6.412 382 1HG GLU 49 HG2 GLU 49 13.385 9.986 -8.219 383 2HG GLU 49 HG1 GLU 49 11.856 10.705 -7.720 384 H VAL 50 HN VAL 50 13.044 6.364 -6.409 385 HA VAL 50 HA VAL 50 10.792 4.585 -5.731 386 HB VAL 50 HB VAL 50 13.658 3.771 -6.266 387 1HG1 VAL 50 HG11 VAL 50 11.281 2.078 -5.494 388 2HG1 VAL 50 HG12 VAL 50 12.654 2.465 -4.457 389 3HG1 VAL 50 HG13 VAL 50 12.891 1.483 -5.903 390 1HG2 VAL 50 HG21 VAL 50 11.122 3.171 -7.790 391 2HG2 VAL 50 HG22 VAL 50 12.720 2.513 -8.148 392 3HG2 VAL 50 HG23 VAL 50 12.423 4.245 -8.312 393 HA PRO 51 HA PRO 51 11.933 5.965 -1.576 394 1HB PRO 51 HB2 PRO 51 9.929 3.841 -0.990 395 2HB PRO 51 HB1 PRO 51 10.023 5.496 -0.384 396 1HG PRO 51 HG2 PRO 51 8.236 4.808 -2.205 397 2HG PRO 51 HG1 PRO 51 9.051 6.381 -2.266 398 1HD PRO 51 HD2 PRO 51 9.510 3.935 -3.917 399 2HD PRO 51 HD1 PRO 51 9.585 5.644 -4.391 400 H ALA 52 HN ALA 52 13.364 5.177 -0.186 401 HA ALA 52 HA ALA 52 14.929 2.965 -0.835 402 1HB ALA 52 HB1 ALA 52 16.116 3.397 1.235 403 2HB ALA 52 HB2 ALA 52 14.786 4.401 1.811 404 3HB ALA 52 HB3 ALA 52 15.740 4.917 0.420 405 H GLU 53 HN GLU 53 12.228 3.270 1.364 406 HA GLU 53 HA GLU 53 12.595 0.907 2.811 407 1HB GLU 53 HB2 GLU 53 10.139 2.483 2.109 408 2HB GLU 53 HB1 GLU 53 10.053 1.024 3.087 409 1HG GLU 53 HG2 GLU 53 11.764 3.402 3.770 410 2HG GLU 53 HG1 GLU 53 10.122 3.163 4.368 411 H LEU 54 HN LEU 54 11.201 1.457 -0.370 412 HA LEU 54 HA LEU 54 10.264 -1.282 -0.552 413 1HB LEU 54 HB2 LEU 54 10.435 0.261 -3.050 414 2HB LEU 54 HB1 LEU 54 9.102 -0.654 -2.382 415 HG LEU 54 HG LEU 54 9.847 2.153 -1.588 416 1HD1 LEU 54 HD11 LEU 54 8.991 1.993 -3.861 417 2HD1 LEU 54 HD12 LEU 54 7.811 2.761 -2.798 418 3HD1 LEU 54 HD13 LEU 54 7.598 1.077 -3.286 419 1HD2 LEU 54 HD21 LEU 54 7.665 2.113 -0.443 420 2HD2 LEU 54 HD22 LEU 54 8.807 0.959 0.244 421 3HD2 LEU 54 HD23 LEU 54 7.523 0.394 -0.826 422 H ARG 55 HN ARG 55 12.846 0.739 -1.787 423 HA ARG 55 HA ARG 55 13.994 -1.106 -3.582 424 1HB ARG 55 HB2 ARG 55 14.413 1.414 -3.362 425 2HB ARG 55 HB1 ARG 55 15.525 0.998 -2.066 426 1HG ARG 55 HG2 ARG 55 16.856 1.243 -3.971 427 2HG ARG 55 HG1 ARG 55 16.689 -0.502 -3.754 428 1HD ARG 55 HD2 ARG 55 15.178 -0.696 -5.529 429 2HD ARG 55 HD1 ARG 55 14.831 1.034 -5.539 430 HE ARG 55 HE ARG 55 17.532 0.118 -6.228 431 1HH1 ARG 55 HH11 ARG 55 14.487 1.506 -7.253 432 2HH1 ARG 55 HH12 ARG 55 15.136 2.177 -8.719 433 1HH2 ARG 55 HH21 ARG 55 18.399 1.030 -8.128 434 2HH2 ARG 55 HH22 ARG 55 17.366 1.925 -9.206 435 H ARG 56 HN ARG 56 14.595 -0.402 -0.169 436 HA ARG 56 HA ARG 56 16.583 -2.491 0.030 437 1HB ARG 56 HB2 ARG 56 15.382 -0.813 2.238 438 2HB ARG 56 HB1 ARG 56 16.842 -1.788 2.337 439 1HG ARG 56 HG2 ARG 56 16.448 0.665 0.635 440 2HG ARG 56 HG1 ARG 56 17.391 0.560 2.122 441 1HD ARG 56 HD2 ARG 56 18.984 -0.876 1.106 442 2HD ARG 56 HD1 ARG 56 17.964 -1.107 -0.314 443 HE ARG 56 HE ARG 56 18.347 1.369 -0.703 444 1HH1 ARG 56 HH11 ARG 56 20.659 -0.589 1.049 445 2HH1 ARG 56 HH12 ARG 56 22.033 0.304 0.479 446 1HH2 ARG 56 HH21 ARG 56 20.166 2.558 -1.439 447 2HH2 ARG 56 HH22 ARG 56 21.757 2.097 -0.900 448 H LEU 57 HN LEU 57 13.749 -3.037 -0.652 449 HA LEU 57 HA LEU 57 13.308 -5.120 1.382 450 1HB LEU 57 HB2 LEU 57 11.571 -3.247 1.290 451 2HB LEU 57 HB1 LEU 57 11.155 -3.830 -0.303 452 HG LEU 57 HG LEU 57 9.624 -4.554 1.552 453 1HD1 LEU 57 HD11 LEU 57 9.665 -5.752 -0.564 454 2HD1 LEU 57 HD12 LEU 57 9.406 -6.859 0.783 455 3HD1 LEU 57 HD13 LEU 57 10.991 -6.758 0.018 456 1HD2 LEU 57 HD21 LEU 57 11.998 -6.235 2.335 457 2HD2 LEU 57 HD22 LEU 57 10.363 -6.403 2.978 458 3HD2 LEU 57 HD23 LEU 57 11.281 -4.926 3.277 459 H ALA 58 HN ALA 58 12.908 -4.105 -1.974 460 HA ALA 58 HA ALA 58 12.681 -6.795 -2.984 461 1HB ALA 58 HB1 ALA 58 12.713 -5.788 -5.166 462 2HB ALA 58 HB2 ALA 58 13.253 -4.247 -4.497 463 3HB ALA 58 HB3 ALA 58 11.638 -4.853 -4.124 464 H HIS 59 HN HIS 59 14.177 -8.064 -3.702 465 HA HIS 59 HA HIS 59 16.927 -7.064 -3.841 466 1HB HIS 59 HB2 HIS 59 17.071 -8.822 -2.351 467 2HB HIS 59 HB1 HIS 59 15.740 -9.700 -3.089 468 HD1 HIS 59 HD1 HIS 59 19.373 -9.657 -2.880 469 HD2 HIS 59 HD2 HIS 59 16.491 -10.974 -5.571 470 HE1 HIS 59 HE1 HIS 59 20.551 -11.319 -4.368 471 HE2 HIS 59 HE2 HIS 59 18.810 -12.055 -6.047 472 H GLY 60 HN GLY 60 18.075 -7.312 -5.714 473 1HA GLY 60 HA2 GLY 60 18.316 -8.168 -7.966 474 2HA GLY 60 HA1 GLY 60 16.563 -8.343 -8.034 475 H GLY 61 HN GLY 61 16.020 -5.815 -6.784 476 1HA GLY 61 HA2 GLY 61 16.512 -3.484 -7.157 477 2HA GLY 61 HA1 GLY 61 17.127 -3.918 -8.740 478 H GLN 62 HN GLN 62 14.765 -5.745 -9.140 479 HA GLN 62 HA GLN 62 13.047 -3.791 -10.315 480 1HB GLN 62 HB2 GLN 62 13.388 -5.914 -11.417 481 2HB GLN 62 HB1 GLN 62 12.808 -6.775 -10.003 482 1HG GLN 62 HG2 GLN 62 10.585 -5.735 -10.327 483 2HG GLN 62 HG1 GLN 62 11.190 -4.968 -11.792 484 1HE2 GLN 62 HE21 GLN 62 12.789 -7.318 -12.515 485 2HE2 GLN 62 HE22 GLN 62 11.662 -8.486 -13.106 486 H VAL 63 HN VAL 63 12.194 -2.559 -8.717 487 HA VAL 63 HA VAL 63 10.276 -3.928 -6.964 488 HB VAL 63 HB VAL 63 11.861 -2.845 -5.557 489 1HG1 VAL 63 HG11 VAL 63 12.394 -0.446 -5.724 490 2HG1 VAL 63 HG12 VAL 63 11.454 -0.361 -7.213 491 3HG1 VAL 63 HG13 VAL 63 12.910 -1.354 -7.145 492 1HG2 VAL 63 HG21 VAL 63 9.545 -2.594 -4.858 493 2HG2 VAL 63 HG22 VAL 63 9.417 -1.094 -5.777 494 3HG2 VAL 63 HG23 VAL 63 10.494 -1.184 -4.384 495 H ASN 64 HN ASN 64 8.390 -3.854 -7.992 496 HA ASN 64 HA ASN 64 7.677 -1.419 -9.475 497 1HB ASN 64 HB2 ASN 64 7.572 -3.575 -10.694 498 2HB ASN 64 HB1 ASN 64 6.394 -4.160 -9.528 499 1HD2 ASN 64 HD21 ASN 64 6.518 -0.890 -10.830 500 2HD2 ASN 64 HD22 ASN 64 5.017 -0.990 -11.681 501 H LEU 65 HN LEU 65 6.353 -0.024 -8.538 502 HA LEU 65 HA LEU 65 4.827 -0.913 -6.192 503 1HB LEU 65 HB2 LEU 65 6.429 0.854 -5.757 504 2HB LEU 65 HB1 LEU 65 5.738 1.834 -7.028 505 HG LEU 65 HG LEU 65 3.575 1.763 -5.658 506 1HD1 LEU 65 HD11 LEU 65 3.904 1.422 -3.268 507 2HD1 LEU 65 HD12 LEU 65 5.571 0.929 -3.576 508 3HD1 LEU 65 HD13 LEU 65 4.235 -0.043 -4.193 509 1HD2 LEU 65 HD21 LEU 65 4.332 3.644 -4.259 510 2HD2 LEU 65 HD22 LEU 65 4.921 3.774 -5.916 511 3HD2 LEU 65 HD23 LEU 65 6.009 3.238 -4.635 512 H ASP 66 HN ASP 66 2.740 -1.071 -6.284 513 HA ASP 66 HA ASP 66 1.240 0.187 -8.481 514 1HB ASP 66 HB2 ASP 66 1.116 -2.320 -8.132 515 2HB ASP 66 HB1 ASP 66 0.334 -1.999 -6.590 516 H MET 67 HN MET 67 -1.083 0.894 -7.757 517 HA MET 67 HA MET 67 -0.869 2.135 -5.099 518 1HB MET 67 HB2 MET 67 -1.752 3.541 -7.621 519 2HB MET 67 HB1 MET 67 -1.809 4.229 -6.004 520 1HG MET 67 HG2 MET 67 0.650 3.984 -5.862 521 2HG MET 67 HG1 MET 67 0.657 3.422 -7.532 522 1HE MET 67 HE1 MET 67 0.108 6.426 -5.104 523 2HE MET 67 HE2 MET 67 -1.495 6.252 -5.817 524 3HE MET 67 HE3 MET 67 -0.518 7.673 -6.182 525 H GLU 68 HN GLU 68 -2.516 1.704 -3.862 526 HA GLU 68 HA GLU 68 -5.167 1.171 -5.051 527 1HB GLU 68 HB2 GLU 68 -3.987 0.311 -2.405 528 2HB GLU 68 HB1 GLU 68 -5.666 0.071 -2.855 529 1HG GLU 68 HG2 GLU 68 -4.938 -1.349 -4.720 530 2HG GLU 68 HG1 GLU 68 -3.264 -1.135 -4.200 531 H ASP 69 HN ASP 69 -7.025 1.996 -3.798 532 HA ASP 69 HA ASP 69 -6.302 4.144 -1.915 533 1HB ASP 69 HB2 ASP 69 -7.041 5.018 -4.193 534 2HB ASP 69 HB1 ASP 69 -8.631 4.359 -3.825 535 H HIS 70 HN HIS 70 -7.107 3.757 -0.010 536 HA HIS 70 HA HIS 70 -9.821 2.678 0.263 537 1HB HIS 70 HB2 HIS 70 -7.460 1.694 1.895 538 2HB HIS 70 HB1 HIS 70 -9.132 1.178 2.073 539 HD1 HIS 70 HD1 HIS 70 -10.011 -0.591 0.454 540 HD2 HIS 70 HD2 HIS 70 -6.079 0.580 -0.301 541 HE1 HIS 70 HE1 HIS 70 -9.098 -2.254 -1.201 542 HE2 HIS 70 HE2 HIS 70 -6.700 -1.581 -1.596 543 H ARG 71 HN ARG 71 -8.962 5.318 0.379 544 HA ARG 71 HA ARG 71 -8.184 6.080 3.023 545 1HB ARG 71 HB2 ARG 71 -9.203 7.796 0.763 546 2HB ARG 71 HB1 ARG 71 -8.375 8.362 2.209 547 1HG ARG 71 HG2 ARG 71 -6.372 7.148 1.549 548 2HG ARG 71 HG1 ARG 71 -7.196 6.565 0.103 549 1HD ARG 71 HD2 ARG 71 -5.835 8.427 -0.513 550 2HD ARG 71 HD1 ARG 71 -7.532 8.931 -0.568 551 HE ARG 71 HE ARG 71 -6.489 9.544 1.963 552 1HH1 ARG 71 HH11 ARG 71 -6.188 10.538 -1.377 553 2HH1 ARG 71 HH12 ARG 71 -5.701 12.162 -0.982 554 1HH2 ARG 71 HH21 ARG 71 -5.877 11.702 2.490 555 2HH2 ARG 71 HH22 ARG 71 -5.546 12.822 1.206 556 H ASP 72 HN ASP 72 -10.107 4.758 3.768 557 HA ASP 72 HA ASP 72 -12.000 6.405 5.000 558 1HB ASP 72 HB2 ASP 72 -12.810 6.447 2.586 559 2HB ASP 72 HB1 ASP 72 -13.170 4.734 2.774 560 H GLU 73 HN GLU 73 -11.325 3.269 3.587 561 HA GLU 73 HA GLU 73 -12.588 1.607 5.453 562 1HB GLU 73 HB2 GLU 73 -10.402 1.321 3.452 563 2HB GLU 73 HB1 GLU 73 -10.600 0.043 4.629 564 1HG GLU 73 HG2 GLU 73 -13.054 0.009 3.894 565 2HG GLU 73 HG1 GLU 73 -12.510 0.977 2.522 566 H ASP 74 HN ASP 74 -9.371 2.972 5.313 567 HA ASP 74 HA ASP 74 -7.720 3.273 6.802 568 1HB ASP 74 HB2 ASP 74 -8.231 3.649 8.915 569 2HB ASP 74 HB1 ASP 74 -9.878 3.156 8.542 570 H PHE 75 HN PHE 75 -6.253 1.957 8.295 571 HA PHE 75 HA PHE 75 -5.061 0.223 6.506 572 1HB PHE 75 HB2 PHE 75 -3.917 1.431 8.290 573 2HB PHE 75 HB1 PHE 75 -4.653 0.372 9.481 574 HD1 PHE 75 HD1 PHE 75 -3.078 -1.008 10.406 575 HD2 PHE 75 HD2 PHE 75 -2.939 -0.231 6.227 576 HE1 PHE 75 HE1 PHE 75 -1.178 -2.553 10.183 577 HE2 PHE 75 HE2 PHE 75 -1.044 -1.768 5.998 578 HZ PHE 75 HZ PHE 75 -0.159 -2.932 7.978 579 H VAL 76 HN VAL 76 -5.264 -1.849 5.988 580 HA VAL 76 HA VAL 76 -6.228 -3.815 7.850 581 HB VAL 76 HB VAL 76 -8.236 -2.525 6.967 582 1HG1 VAL 76 HG11 VAL 76 -9.139 -3.205 4.813 583 2HG1 VAL 76 HG12 VAL 76 -7.677 -4.137 4.493 584 3HG1 VAL 76 HG13 VAL 76 -7.589 -2.382 4.638 585 1HG2 VAL 76 HG21 VAL 76 -8.438 -4.654 8.139 586 2HG2 VAL 76 HG22 VAL 76 -8.170 -5.523 6.625 587 3HG2 VAL 76 HG23 VAL 76 -9.624 -4.545 6.838 588 H LYS 77 HN LYS 77 -4.857 -2.926 4.819 589 HA LYS 77 HA LYS 77 -5.232 -5.288 3.416 590 1HB LYS 77 HB2 LYS 77 -3.448 -2.964 3.039 591 2HB LYS 77 HB1 LYS 77 -3.217 -4.389 2.038 592 1HG LYS 77 HG2 LYS 77 -5.905 -3.102 2.289 593 2HG LYS 77 HG1 LYS 77 -4.689 -2.457 1.186 594 1HD LYS 77 HD2 LYS 77 -5.861 -5.234 1.172 595 2HD LYS 77 HD1 LYS 77 -6.130 -3.960 -0.019 596 1HE LYS 77 HE2 LYS 77 -3.458 -4.073 -0.091 597 2HE LYS 77 HE1 LYS 77 -3.802 -5.743 0.367 598 1HZ LYS 77 HZ1 LYS 77 -4.603 -4.303 -2.086 599 2HZ LYS 77 HZ2 LYS 77 -5.460 -5.674 -1.574 600 3HZ LYS 77 HZ3 LYS 77 -3.810 -5.796 -1.948 601 HA PRO 78 HA PRO 78 -0.645 -6.687 4.438 602 1HB PRO 78 HB2 PRO 78 -0.309 -4.947 6.835 603 2HB PRO 78 HB1 PRO 78 0.910 -5.491 5.666 604 1HG PRO 78 HG2 PRO 78 0.017 -3.019 5.526 605 2HG PRO 78 HG1 PRO 78 0.176 -3.966 4.030 606 1HD PRO 78 HD2 PRO 78 -2.297 -3.352 5.626 607 2HD PRO 78 HD1 PRO 78 -2.072 -3.346 3.870 608 H LYS 79 HN LYS 79 -2.730 -5.632 7.082 609 HA LYS 79 HA LYS 79 -2.215 -7.476 9.039 610 1HB LYS 79 HB2 LYS 79 -4.947 -6.467 8.218 611 2HB LYS 79 HB1 LYS 79 -4.559 -7.217 9.759 612 1HG LYS 79 HG2 LYS 79 -3.010 -5.348 10.230 613 2HG LYS 79 HG1 LYS 79 -3.529 -4.585 8.721 614 1HD LYS 79 HD2 LYS 79 -5.796 -4.428 9.522 615 2HD LYS 79 HD1 LYS 79 -5.389 -5.348 10.971 616 1HE LYS 79 HE2 LYS 79 -3.846 -3.539 11.642 617 2HE LYS 79 HE1 LYS 79 -4.356 -2.615 10.229 618 1HZ LYS 79 HZ1 LYS 79 -6.637 -2.661 11.109 619 2HZ LYS 79 HZ2 LYS 79 -5.558 -1.884 12.160 620 3HZ LYS 79 HZ3 LYS 79 -6.077 -3.463 12.495 621 H GLY 80 HN GLY 80 -4.731 -7.848 6.540 622 1HA GLY 80 HA2 GLY 80 -4.509 -10.209 5.485 623 2HA GLY 80 HA1 GLY 80 -4.827 -10.719 7.140 624 H ALA 81 HN ALA 81 -6.734 -11.763 6.336 625 HA ALA 81 HA ALA 81 -8.996 -11.940 6.241 626 1HB ALA 81 HB1 ALA 81 -9.030 -10.237 8.013 627 2HB ALA 81 HB2 ALA 81 -10.420 -10.111 6.934 628 3HB ALA 81 HB3 ALA 81 -9.079 -8.976 6.780 629 H PHE 82 HN PHE 82 -7.801 -9.060 4.543 630 HA PHE 82 HA PHE 82 -8.086 -8.310 2.430 631 1HB PHE 82 HB2 PHE 82 -8.644 -11.237 1.927 632 2HB PHE 82 HB1 PHE 82 -8.444 -10.040 0.652 633 HD1 PHE 82 HD1 PHE 82 -6.272 -9.005 0.247 634 HD2 PHE 82 HD2 PHE 82 -6.770 -12.057 3.171 635 HE1 PHE 82 HE1 PHE 82 -3.834 -9.336 0.312 636 HE2 PHE 82 HE2 PHE 82 -4.336 -12.391 3.242 637 HZ PHE 82 HZ PHE 82 -2.865 -11.029 1.813 638 H LYS 83 HN LYS 83 -10.134 -7.544 3.820 639 HA LYS 83 HA LYS 83 -12.506 -8.096 2.174 640 1HB LYS 83 HB2 LYS 83 -13.806 -6.986 3.883 641 2HB LYS 83 HB1 LYS 83 -12.771 -8.174 4.662 642 1HG LYS 83 HG2 LYS 83 -11.292 -6.500 5.451 643 2HG LYS 83 HG1 LYS 83 -12.050 -5.266 4.439 644 1HD LYS 83 HD2 LYS 83 -12.719 -5.078 6.806 645 2HD LYS 83 HD1 LYS 83 -14.090 -5.407 5.746 646 1HE LYS 83 HE2 LYS 83 -14.010 -7.767 6.372 647 2HE LYS 83 HE1 LYS 83 -12.627 -7.448 7.419 648 1HZ LYS 83 HZ1 LYS 83 -13.967 -6.087 8.818 649 2HZ LYS 83 HZ2 LYS 83 -14.794 -7.553 8.595 650 3HZ LYS 83 HZ3 LYS 83 -15.285 -6.162 7.750 651 H ALA 84 HN ALA 84 -9.911 -6.096 2.353 652 HA ALA 84 HA ALA 84 -10.877 -3.505 2.100 653 1HB ALA 84 HB1 ALA 84 -8.386 -4.643 0.834 654 2HB ALA 84 HB2 ALA 84 -8.512 -4.100 2.508 655 3HB ALA 84 HB3 ALA 84 -8.709 -2.945 1.189 656 H PHE 85 HN PHE 85 -11.809 -2.390 0.503 657 HA PHE 85 HA PHE 85 -12.599 -3.938 -1.821 658 1HB PHE 85 HB2 PHE 85 -14.223 -2.581 -0.425 659 2HB PHE 85 HB1 PHE 85 -13.475 -1.139 -1.101 660 HD1 PHE 85 HD1 PHE 85 -13.916 -0.458 -3.366 661 HD2 PHE 85 HD2 PHE 85 -15.530 -4.089 -1.840 662 HE1 PHE 85 HE1 PHE 85 -15.427 -0.596 -5.303 663 HE2 PHE 85 HE2 PHE 85 -17.042 -4.233 -3.775 664 HZ PHE 85 HZ PHE 85 -16.992 -2.485 -5.510 665 H THR 86 HN THR 86 -10.512 -3.932 -2.838 666 HA THR 86 HA THR 86 -9.403 -1.471 -3.834 667 HB THR 86 HB THR 86 -8.768 -4.282 -4.755 668 HG1 THR 86 HG1 THR 86 -6.980 -3.227 -3.003 669 1HG2 THR 86 HG21 THR 86 -7.158 -1.724 -4.785 670 2HG2 THR 86 HG22 THR 86 -7.882 -2.509 -6.187 671 3HG2 THR 86 HG23 THR 86 -6.577 -3.303 -5.308 672 H GLY 87 HN GLY 87 -11.271 -0.620 -4.921 673 1HA GLY 87 HA2 GLY 87 -11.446 -1.542 -7.664 674 2HA GLY 87 HA1 GLY 87 -12.932 -1.675 -6.737 675 H GLU 88 HN GLU 88 -13.273 -0.201 -8.789 676 HA GLU 88 HA GLU 88 -12.569 2.580 -8.339 677 1HB GLU 88 HB2 GLU 88 -12.520 1.682 -10.607 678 2HB GLU 88 HB1 GLU 88 -14.202 1.193 -10.477 679 1HG GLU 88 HG2 GLU 88 -14.177 3.141 -11.787 680 2HG GLU 88 HG1 GLU 88 -14.775 3.623 -10.202 681 H GLY 89 HN GLY 89 -15.383 0.469 -8.259 682 1HA GLY 89 HA2 GLY 89 -17.242 2.611 -7.730 683 2HA GLY 89 HA1 GLY 89 -17.606 0.892 -7.756 684 H GLN 90 HN GLN 90 -15.269 2.702 -5.818 685 HA GLN 90 HA GLN 90 -16.330 1.459 -3.407 686 1HB GLN 90 HB2 GLN 90 -13.934 1.391 -3.694 687 2HB GLN 90 HB1 GLN 90 -13.867 3.129 -3.936 688 1HG GLN 90 HG2 GLN 90 -14.336 3.560 -1.664 689 2HG GLN 90 HG1 GLN 90 -14.812 1.888 -1.371 690 1HE2 GLN 90 HE21 GLN 90 -12.053 2.600 -3.336 691 2HE2 GLN 90 HE22 GLN 90 -10.850 2.087 -2.204 692 H LYS 91 HN LYS 91 -17.401 2.503 -1.846 693 HA LYS 91 HA LYS 91 -18.432 4.104 -0.632 694 1HB LYS 91 HB2 LYS 91 -16.444 5.442 -0.606 695 2HB LYS 91 HB1 LYS 91 -16.749 6.025 -2.237 696 1HG LYS 91 HG2 LYS 91 -18.529 7.377 -1.542 697 2HG LYS 91 HG1 LYS 91 -18.669 6.543 0.006 698 1HD LYS 91 HD2 LYS 91 -16.244 8.135 -0.805 699 2HD LYS 91 HD1 LYS 91 -17.598 8.821 0.097 700 1HE LYS 91 HE2 LYS 91 -17.249 7.208 1.884 701 2HE LYS 91 HE1 LYS 91 -15.933 6.465 0.974 702 1HZ LYS 91 HZ1 LYS 91 -15.196 8.018 2.734 703 2HZ LYS 91 HZ2 LYS 91 -15.932 9.295 1.880 704 3HZ LYS 91 HZ3 LYS 91 -14.643 8.435 1.185 705 H LEU 92 HN LEU 92 -18.301 4.898 -4.106 706 HA LEU 92 HA LEU 92 -21.014 5.830 -4.095 707 1HB LEU 92 HB2 LEU 92 -20.844 5.775 -6.537 708 2HB LEU 92 HB1 LEU 92 -19.489 6.614 -5.813 709 HG LEU 92 HG LEU 92 -18.327 4.246 -6.071 710 1HD1 LEU 92 HD11 LEU 92 -20.340 3.132 -6.926 711 2HD1 LEU 92 HD12 LEU 92 -19.018 3.101 -8.093 712 3HD1 LEU 92 HD13 LEU 92 -20.353 4.235 -8.303 713 1HD2 LEU 92 HD21 LEU 92 -17.532 6.324 -7.049 714 2HD2 LEU 92 HD22 LEU 92 -18.735 6.196 -8.334 715 3HD2 LEU 92 HD23 LEU 92 -17.434 5.008 -8.220 716 H GLY 93 HN GLY 93 -19.457 2.860 -4.000 717 1HA GLY 93 HA2 GLY 93 -22.048 1.520 -4.108 718 2HA GLY 93 HA1 GLY 93 -20.660 0.804 -4.918 719 H SER 94 HN SER 94 -22.397 0.193 -2.387 720 HA SER 94 HA SER 94 -20.263 -0.899 -0.841 721 1HB SER 94 HB2 SER 94 -20.790 0.388 1.254 722 2HB SER 94 HB1 SER 94 -20.016 1.348 -0.009 723 HG SER 94 HG SER 94 -22.032 2.159 1.159 724 H THR 95 HN THR 95 -23.648 -0.007 -1.045 725 HA THR 95 HA THR 95 -24.579 -1.773 0.955 726 HB THR 95 HB THR 95 -26.816 -1.452 -0.287 727 HG1 THR 95 HG1 THR 95 -26.355 -0.734 -2.270 728 1HG2 THR 95 HG21 THR 95 -27.045 0.833 0.581 729 2HG2 THR 95 HG22 THR 95 -25.293 0.958 0.717 730 3HG2 THR 95 HG23 THR 95 -26.172 -0.193 1.718 731 H ALA 96 HN ALA 96 -23.656 -2.244 -2.332 732 HA ALA 96 HA ALA 96 -24.488 -5.066 -2.095 733 1HB ALA 96 HB1 ALA 96 -24.224 -3.454 -4.634 734 2HB ALA 96 HB2 ALA 96 -25.739 -3.943 -3.874 735 3HB ALA 96 HB3 ALA 96 -24.646 -5.163 -4.529 736 HA PRO 97 HA PRO 97 -19.874 -4.753 -1.856 737 1HB PRO 97 HB2 PRO 97 -20.371 -7.414 -0.624 738 2HB PRO 97 HB1 PRO 97 -19.354 -6.084 -0.059 739 1HG PRO 97 HG2 PRO 97 -21.678 -6.589 1.118 740 2HG PRO 97 HG1 PRO 97 -21.155 -4.917 0.836 741 1HD PRO 97 HD2 PRO 97 -23.150 -6.560 -0.677 742 2HD PRO 97 HD1 PRO 97 -23.220 -4.846 -0.215 743 H GLN 98 HN GLN 98 -19.078 -5.083 -3.825 744 HA GLN 98 HA GLN 98 -18.296 -6.087 -5.699 745 1HB GLN 98 HB2 GLN 98 -17.225 -7.504 -3.897 746 2HB GLN 98 HB1 GLN 98 -18.520 -8.667 -4.134 747 1HG GLN 98 HG2 GLN 98 -17.811 -9.094 -6.378 748 2HG GLN 98 HG1 GLN 98 -16.623 -7.792 -6.296 749 1HE2 GLN 98 HE21 GLN 98 -14.748 -8.091 -5.120 750 2HE2 GLN 98 HE22 GLN 98 -14.206 -9.655 -4.615 751 H VAL 99 HN VAL 99 -21.179 -5.832 -5.201 752 HA VAL 99 HA VAL 99 -23.241 -6.578 -5.797 753 HB VAL 99 HB VAL 99 -23.565 -6.817 -8.218 754 1HG1 VAL 99 HG11 VAL 99 -21.688 -4.603 -7.416 755 2HG1 VAL 99 HG12 VAL 99 -23.441 -4.614 -7.225 756 3HG1 VAL 99 HG13 VAL 99 -22.729 -4.603 -8.839 757 1HG2 VAL 99 HG21 VAL 99 -21.571 -8.079 -8.814 758 2HG2 VAL 99 HG22 VAL 99 -20.557 -6.696 -8.399 759 3HG2 VAL 99 HG23 VAL 99 -21.676 -6.592 -9.759 760 H LEU 100 HN LEU 100 -21.806 -8.659 -4.563 761 HA LEU 100 HA LEU 100 -23.054 -10.961 -5.898 762 1HB LEU 100 HB2 LEU 100 -20.379 -10.765 -4.570 763 2HB LEU 100 HB1 LEU 100 -21.212 -12.305 -4.695 764 HG LEU 100 HG LEU 100 -20.612 -10.582 -7.086 765 1HD1 LEU 100 HD11 LEU 100 -19.015 -12.886 -5.963 766 2HD1 LEU 100 HD12 LEU 100 -18.501 -11.199 -6.021 767 3HD1 LEU 100 HD13 LEU 100 -18.731 -12.105 -7.518 768 1HD2 LEU 100 HD21 LEU 100 -20.995 -12.651 -8.315 769 2HD2 LEU 100 HD22 LEU 100 -22.407 -12.217 -7.351 770 3HD2 LEU 100 HD23 LEU 100 -21.324 -13.496 -6.803 771 H SER 101 HN SER 101 -21.514 -10.361 -2.746 772 HA SER 101 HA SER 101 -24.053 -10.654 -1.399 773 1HB SER 101 HB2 SER 101 -23.051 -12.478 0.101 774 2HB SER 101 HB1 SER 101 -23.555 -12.967 -1.516 775 HG SER 101 HG SER 101 -21.568 -13.784 -1.417 776 H THR 102 HN THR 102 -20.745 -11.199 -0.263 777 HA THR 102 HA THR 102 -20.608 -8.546 0.912 778 HB THR 102 HB THR 102 -19.828 -9.773 3.119 779 HG1 THR 102 HG1 THR 102 -20.385 -11.870 1.965 780 1HG2 THR 102 HG21 THR 102 -22.752 -9.410 2.438 781 2HG2 THR 102 HG22 THR 102 -21.655 -8.140 2.984 782 3HG2 THR 102 HG23 THR 102 -22.064 -9.475 4.062 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 35.590 2.672 3.468 2 2H GLY 1 HT2 GLY 1 35.356 2.367 5.119 3 3H GLY 1 HT3 GLY 1 34.134 1.998 4.007 4 1HA GLY 1 HA1 GLY 1 36.789 0.687 4.191 5 2HA GLY 1 HA2 GLY 1 35.254 -0.011 4.689 6 H SER 2 HN SER 2 35.056 -1.683 3.299 7 HA SER 2 HA SER 2 35.679 -1.455 0.520 8 1HB SER 2 HB2 SER 2 34.092 -3.576 1.988 9 2HB SER 2 HB1 SER 2 34.751 -3.720 0.357 10 HG SER 2 HG SER 2 36.855 -3.289 1.390 11 H GLU 3 HN GLU 3 34.425 -0.677 -1.057 12 HA GLU 3 HA GLU 3 31.668 0.024 -0.389 13 1HB GLU 3 HB2 GLU 3 33.360 0.862 -2.751 14 2HB GLU 3 HB1 GLU 3 31.758 1.476 -2.364 15 1HG GLU 3 HG2 GLU 3 32.612 2.407 -0.279 16 2HG GLU 3 HG1 GLU 3 34.218 1.788 -0.659 17 H LYS 4 HN LYS 4 33.308 -2.453 -1.801 18 HA LYS 4 HA LYS 4 31.383 -3.084 -3.870 19 1HB LYS 4 HB2 LYS 4 33.380 -5.022 -2.717 20 2HB LYS 4 HB1 LYS 4 32.699 -4.988 -4.335 21 1HG LYS 4 HG2 LYS 4 34.681 -3.019 -3.213 22 2HG LYS 4 HG1 LYS 4 35.041 -4.331 -4.334 23 1HD LYS 4 HD2 LYS 4 33.583 -3.293 -6.007 24 2HD LYS 4 HD1 LYS 4 33.232 -1.976 -4.882 25 1HE LYS 4 HE2 LYS 4 35.637 -1.435 -4.820 26 2HE LYS 4 HE1 LYS 4 35.934 -2.701 -6.009 27 1HZ LYS 4 HZ1 LYS 4 34.564 -1.508 -7.590 28 2HZ LYS 4 HZ2 LYS 4 35.813 -0.509 -7.023 29 3HZ LYS 4 HZ3 LYS 4 34.233 -0.303 -6.440 30 H ARG 5 HN ARG 5 29.664 -2.798 -2.130 31 HA ARG 5 HA ARG 5 29.344 -5.266 -0.547 32 1HB ARG 5 HB2 ARG 5 28.373 -2.464 0.027 33 2HB ARG 5 HB1 ARG 5 27.941 -3.876 0.980 34 1HG ARG 5 HG2 ARG 5 30.753 -2.882 0.582 35 2HG ARG 5 HG1 ARG 5 29.738 -2.480 1.964 36 1HD ARG 5 HD2 ARG 5 31.167 -4.253 2.631 37 2HD ARG 5 HD1 ARG 5 29.556 -4.935 2.427 38 HE ARG 5 HE ARG 5 30.716 -5.393 0.029 39 1HH1 ARG 5 HH11 ARG 5 31.743 -6.001 3.305 40 2HH1 ARG 5 HH12 ARG 5 32.628 -7.445 2.900 41 1HH2 ARG 5 HH21 ARG 5 31.866 -7.295 -0.529 42 2HH2 ARG 5 HH22 ARG 5 32.713 -8.170 0.717 43 H GLN 6 HN GLN 6 27.007 -5.745 -0.020 44 HA GLN 6 HA GLN 6 25.512 -5.800 -2.483 45 1HB GLN 6 HB2 GLN 6 25.502 -7.775 -1.048 46 2HB GLN 6 HB1 GLN 6 24.843 -6.834 0.283 47 1HG GLN 6 HG2 GLN 6 23.126 -8.193 -0.767 48 2HG GLN 6 HG1 GLN 6 22.786 -6.477 -0.970 49 1HE2 GLN 6 HE21 GLN 6 25.150 -8.306 -2.809 50 2HE2 GLN 6 HE22 GLN 6 24.333 -8.187 -4.329 51 H HIS 7 HN HIS 7 23.916 -4.482 -3.057 52 HA HIS 7 HA HIS 7 23.431 -2.171 -1.364 53 1HB HIS 7 HB2 HIS 7 22.465 -2.765 -4.171 54 2HB HIS 7 HB1 HIS 7 22.346 -1.217 -3.346 55 HD1 HIS 7 HD1 HIS 7 24.821 -3.499 -4.998 56 HD2 HIS 7 HD2 HIS 7 24.661 0.318 -3.365 57 HE1 HIS 7 HE1 HIS 7 26.962 -2.381 -5.682 58 HE2 HIS 7 HE2 HIS 7 26.752 -0.013 -4.848 59 H SER 8 HN SER 8 22.184 -5.033 -1.144 60 HA SER 8 HA SER 8 20.208 -6.024 -0.634 61 1HB SER 8 HB2 SER 8 19.252 -3.207 -0.046 62 2HB SER 8 HB1 SER 8 18.565 -4.707 0.580 63 HG SER 8 HG SER 8 20.931 -4.972 1.351 64 H SER 9 HN SER 9 20.590 -5.817 -3.231 65 HA SER 9 HA SER 9 18.449 -4.399 -4.557 66 1HB SER 9 HB2 SER 9 20.570 -6.247 -5.670 67 2HB SER 9 HB1 SER 9 19.522 -5.184 -6.612 68 HG SER 9 HG SER 9 21.622 -4.292 -6.200 69 H GLN 10 HN GLN 10 17.206 -6.077 -2.938 70 HA GLN 10 HA GLN 10 16.390 -8.326 -4.642 71 1HB GLN 10 HB2 GLN 10 16.382 -8.136 -1.628 72 2HB GLN 10 HB1 GLN 10 15.757 -9.496 -2.557 73 1HG GLN 10 HG2 GLN 10 17.941 -9.951 -3.446 74 2HG GLN 10 HG1 GLN 10 18.590 -8.514 -2.655 75 1HE2 GLN 10 HE21 GLN 10 17.383 -11.743 -2.217 76 2HE2 GLN 10 HE22 GLN 10 18.026 -11.982 -0.625 77 H ASP 11 HN ASP 11 15.335 -5.829 -5.017 78 HA ASP 11 HA ASP 11 13.400 -4.705 -5.350 79 1HB ASP 11 HB2 ASP 11 11.509 -5.963 -5.959 80 2HB ASP 11 HB1 ASP 11 12.873 -6.997 -6.343 81 H VAL 12 HN VAL 12 11.036 -4.446 -4.470 82 HA VAL 12 HA VAL 12 10.557 -5.345 -1.813 83 HB VAL 12 HB VAL 12 11.886 -3.386 -1.238 84 1HG1 VAL 12 HG11 VAL 12 11.150 -1.133 -1.778 85 2HG1 VAL 12 HG12 VAL 12 9.837 -1.789 -2.754 86 3HG1 VAL 12 HG13 VAL 12 11.512 -2.054 -3.238 87 1HG2 VAL 12 HG21 VAL 12 10.255 -2.245 0.204 88 2HG2 VAL 12 HG22 VAL 12 10.088 -3.999 0.253 89 3HG2 VAL 12 HG23 VAL 12 8.947 -3.031 -0.679 90 H HIS 13 HN HIS 13 8.555 -5.983 -1.909 91 HA HIS 13 HA HIS 13 6.711 -4.539 -3.680 92 1HB HIS 13 HB2 HIS 13 6.840 -7.407 -2.797 93 2HB HIS 13 HB1 HIS 13 5.329 -6.713 -3.383 94 HD1 HIS 13 HD1 HIS 13 8.767 -7.696 -4.523 95 HD2 HIS 13 HD2 HIS 13 5.255 -6.138 -6.098 96 HE1 HIS 13 HE1 HIS 13 8.990 -7.912 -7.014 97 HE2 HIS 13 HE2 HIS 13 6.769 -7.154 -7.933 98 H VAL 14 HN VAL 14 5.192 -3.381 -2.809 99 HA VAL 14 HA VAL 14 4.769 -3.591 0.082 100 HB VAL 14 HB VAL 14 4.370 -1.300 -1.841 101 1HG1 VAL 14 HG11 VAL 14 2.578 -1.197 -0.234 102 2HG1 VAL 14 HG12 VAL 14 3.773 0.049 0.138 103 3HG1 VAL 14 HG13 VAL 14 3.718 -1.433 1.097 104 1HG2 VAL 14 HG21 VAL 14 6.244 -1.686 0.487 105 2HG2 VAL 14 HG22 VAL 14 6.089 -0.212 -0.469 106 3HG2 VAL 14 HG23 VAL 14 6.676 -1.694 -1.222 107 H VAL 15 HN VAL 15 3.002 -4.621 0.662 108 HA VAL 15 HA VAL 15 0.685 -4.773 -1.044 109 HB VAL 15 HB VAL 15 1.235 -6.733 0.270 110 1HG1 VAL 15 HG11 VAL 15 1.046 -6.693 2.755 111 2HG1 VAL 15 HG12 VAL 15 0.950 -4.929 2.673 112 3HG1 VAL 15 HG13 VAL 15 2.405 -5.763 2.123 113 1HG2 VAL 15 HG21 VAL 15 -1.266 -5.397 1.293 114 2HG2 VAL 15 HG22 VAL 15 -0.907 -7.119 1.411 115 3HG2 VAL 15 HG23 VAL 15 -1.119 -6.369 -0.171 116 H LEU 16 HN LEU 16 -0.607 -3.121 -1.240 117 HA LEU 16 HA LEU 16 -1.096 -1.534 1.172 118 1HB LEU 16 HB2 LEU 16 0.206 -0.421 -0.707 119 2HB LEU 16 HB1 LEU 16 -1.274 -0.483 -1.649 120 HG LEU 16 HG LEU 16 -1.282 0.778 1.049 121 1HD1 LEU 16 HD11 LEU 16 0.588 1.825 -0.077 122 2HD1 LEU 16 HD12 LEU 16 -0.771 2.946 0.017 123 3HD1 LEU 16 HD13 LEU 16 -0.409 2.123 -1.501 124 1HD2 LEU 16 HD21 LEU 16 -3.037 2.176 0.008 125 2HD2 LEU 16 HD22 LEU 16 -3.425 0.457 -0.022 126 3HD2 LEU 16 HD23 LEU 16 -2.850 1.255 -1.485 127 H LYS 17 HN LYS 17 -3.055 -1.583 1.897 128 HA LYS 17 HA LYS 17 -5.207 -2.408 0.077 129 1HB LYS 17 HB2 LYS 17 -5.139 -2.683 3.101 130 2HB LYS 17 HB1 LYS 17 -6.379 -3.293 2.015 131 1HG LYS 17 HG2 LYS 17 -4.874 -4.894 1.081 132 2HG LYS 17 HG1 LYS 17 -3.504 -4.184 1.934 133 1HD LYS 17 HD2 LYS 17 -4.554 -4.781 4.072 134 2HD LYS 17 HD1 LYS 17 -5.887 -5.521 3.192 135 1HE LYS 17 HE2 LYS 17 -3.018 -6.363 2.858 136 2HE LYS 17 HE1 LYS 17 -4.095 -7.095 4.043 137 1HZ LYS 17 HZ1 LYS 17 -5.547 -7.787 2.226 138 2HZ LYS 17 HZ2 LYS 17 -3.988 -8.397 2.020 139 3HZ LYS 17 HZ3 LYS 17 -4.499 -7.082 1.090 140 H LEU 18 HN LEU 18 -7.043 -1.237 -0.024 141 HA LEU 18 HA LEU 18 -6.914 1.516 0.995 142 1HB LEU 18 HB2 LEU 18 -7.219 1.647 -1.288 143 2HB LEU 18 HB1 LEU 18 -8.052 0.109 -1.374 144 HG LEU 18 HG LEU 18 -10.065 1.293 -0.367 145 1HD1 LEU 18 HD11 LEU 18 -10.185 3.706 -0.684 146 2HD1 LEU 18 HD12 LEU 18 -8.482 3.730 -1.149 147 3HD1 LEU 18 HD13 LEU 18 -8.944 3.268 0.491 148 1HD2 LEU 18 HD21 LEU 18 -9.950 0.651 -2.697 149 2HD2 LEU 18 HD22 LEU 18 -9.051 2.120 -3.081 150 3HD2 LEU 18 HD23 LEU 18 -10.727 2.227 -2.540 151 H TRP 19 HN TRP 19 -8.025 1.866 2.782 152 HA TRP 19 HA TRP 19 -10.266 0.091 3.466 153 1HB TRP 19 HB2 TRP 19 -8.872 2.056 5.292 154 2HB TRP 19 HB1 TRP 19 -9.866 0.677 5.743 155 HD1 TRP 19 HD1 TRP 19 -6.339 1.694 5.237 156 HE1 TRP 19 HE1 TRP 19 -4.797 -0.344 5.521 157 HE3 TRP 19 HE3 TRP 19 -9.830 -1.994 4.977 158 HZ2 TRP 19 HZ2 TRP 19 -5.025 -3.135 5.620 159 HZ3 TRP 19 HZ3 TRP 19 -9.085 -4.335 5.126 160 HH2 TRP 19 HH2 TRP 19 -6.733 -4.894 5.426 161 H LYS 20 HN LYS 20 -11.671 1.629 5.215 162 HA LYS 20 HA LYS 20 -12.824 3.629 3.487 163 1HB LYS 20 HB2 LYS 20 -14.520 3.870 5.312 164 2HB LYS 20 HB1 LYS 20 -14.396 2.255 4.636 165 1HG LYS 20 HG2 LYS 20 -14.532 1.782 6.866 166 2HG LYS 20 HG1 LYS 20 -12.783 1.855 6.660 167 1HD LYS 20 HD2 LYS 20 -12.723 4.106 7.548 168 2HD LYS 20 HD1 LYS 20 -14.490 4.158 7.617 169 1HE LYS 20 HE2 LYS 20 -14.367 2.179 9.175 170 2HE LYS 20 HE1 LYS 20 -12.626 2.436 9.236 171 1HZ LYS 20 HZ1 LYS 20 -13.663 3.492 11.103 172 2HZ LYS 20 HZ2 LYS 20 -14.731 4.345 10.100 173 3HZ LYS 20 HZ3 LYS 20 -13.072 4.700 10.067 174 H SER 21 HN SER 21 -10.767 3.488 6.257 175 HA SER 21 HA SER 21 -11.060 6.342 6.777 176 1HB SER 21 HB2 SER 21 -9.494 5.748 8.724 177 2HB SER 21 HB1 SER 21 -11.131 5.081 8.770 178 HG SER 21 HG SER 21 -9.080 3.685 9.091 179 H GLY 22 HN GLY 22 -8.620 3.959 5.853 180 1HA GLY 22 HA2 GLY 22 -7.058 6.005 4.566 181 2HA GLY 22 HA1 GLY 22 -6.304 5.353 6.013 182 H PHE 23 HN PHE 23 -4.603 4.455 4.917 183 HA PHE 23 HA PHE 23 -5.242 2.010 3.442 184 1HB PHE 23 HB2 PHE 23 -3.539 2.497 1.754 185 2HB PHE 23 HB1 PHE 23 -4.772 3.751 1.761 186 HD1 PHE 23 HD1 PHE 23 -4.240 5.903 3.058 187 HD2 PHE 23 HD2 PHE 23 -1.298 3.031 1.975 188 HE1 PHE 23 HE1 PHE 23 -2.491 7.582 3.374 189 HE2 PHE 23 HE2 PHE 23 0.460 4.720 2.287 190 HZ PHE 23 HZ PHE 23 -0.136 6.996 2.994 191 H SER 24 HN SER 24 -3.716 0.372 3.649 192 HA SER 24 HA SER 24 -1.526 0.927 5.560 193 1HB SER 24 HB2 SER 24 -1.778 -1.363 6.410 194 2HB SER 24 HB1 SER 24 -3.291 -0.473 6.593 195 HG SER 24 HG SER 24 -2.913 -1.915 4.234 196 H LEU 25 HN LEU 25 0.400 -0.006 5.187 197 HA LEU 25 HA LEU 25 0.734 -1.180 2.512 198 1HB LEU 25 HB2 LEU 25 2.858 0.431 3.904 199 2HB LEU 25 HB1 LEU 25 2.713 0.055 2.203 200 HG LEU 25 HG LEU 25 0.613 1.570 2.286 201 1HD1 LEU 25 HD11 LEU 25 0.441 1.818 4.680 202 2HD1 LEU 25 HD12 LEU 25 0.785 3.386 3.946 203 3HD1 LEU 25 HD13 LEU 25 2.071 2.490 4.754 204 1HD2 LEU 25 HD21 LEU 25 2.882 2.003 1.200 205 2HD2 LEU 25 HD22 LEU 25 3.217 3.008 2.611 206 3HD2 LEU 25 HD23 LEU 25 1.864 3.391 1.557 207 H ASP 26 HN ASP 26 3.258 -2.058 2.598 208 HA ASP 26 HA ASP 26 3.191 -4.143 4.558 209 1HB ASP 26 HB2 ASP 26 4.136 -4.658 2.402 210 2HB ASP 26 HB1 ASP 26 5.303 -3.346 2.546 211 H ASN 27 HN ASN 27 5.083 -1.241 4.028 212 HA ASN 27 HA ASN 27 6.974 -1.509 6.047 213 1HB ASN 27 HB2 ASN 27 7.274 0.937 5.835 214 2HB ASN 27 HB1 ASN 27 7.181 0.149 4.262 215 1HD2 ASN 27 HD21 ASN 27 5.359 0.467 2.978 216 2HD2 ASN 27 HD22 ASN 27 4.184 1.707 3.301 217 H GLY 28 HN GLY 28 3.679 -0.271 6.203 218 1HA GLY 28 HA2 GLY 28 3.927 -0.157 9.124 219 2HA GLY 28 HA1 GLY 28 3.336 1.262 8.270 220 H GLU 29 HN GLU 29 1.369 1.078 9.473 221 HA GLU 29 HA GLU 29 -0.364 -1.087 8.483 222 1HB GLU 29 HB2 GLU 29 -0.520 0.367 11.129 223 2HB GLU 29 HB1 GLU 29 -1.615 -0.904 10.589 224 1HG GLU 29 HG2 GLU 29 0.211 -2.492 10.529 225 2HG GLU 29 HG1 GLU 29 1.345 -1.222 10.994 226 H LEU 30 HN LEU 30 -2.777 0.068 9.514 227 HA LEU 30 HA LEU 30 -3.496 1.588 7.255 228 1HB LEU 30 HB2 LEU 30 -4.968 0.071 8.624 229 2HB LEU 30 HB1 LEU 30 -5.034 1.315 9.844 230 HG LEU 30 HG LEU 30 -6.091 1.558 7.032 231 1HD1 LEU 30 HD11 LEU 30 -7.464 0.069 8.202 232 2HD1 LEU 30 HD12 LEU 30 -8.292 1.626 8.161 233 3HD1 LEU 30 HD13 LEU 30 -7.475 1.098 9.636 234 1HD2 LEU 30 HD21 LEU 30 -7.159 3.585 7.750 235 2HD2 LEU 30 HD22 LEU 30 -5.410 3.720 7.937 236 3HD2 LEU 30 HD23 LEU 30 -6.430 3.426 9.345 237 H ARG 31 HN ARG 31 -2.974 3.593 6.870 238 HA ARG 31 HA ARG 31 -3.036 5.550 9.079 239 1HB ARG 31 HB2 ARG 31 -1.569 5.774 6.443 240 2HB ARG 31 HB1 ARG 31 -1.505 6.916 7.774 241 1HG ARG 31 HG2 ARG 31 -0.586 4.937 9.142 242 2HG ARG 31 HG1 ARG 31 -0.284 4.197 7.568 243 1HD ARG 31 HD2 ARG 31 0.954 6.340 6.956 244 2HD ARG 31 HD1 ARG 31 0.831 6.768 8.663 245 HE ARG 31 HE ARG 31 1.913 4.289 8.741 246 1HH1 ARG 31 HH11 ARG 31 2.785 7.253 7.109 247 2HH1 ARG 31 HH12 ARG 31 4.481 6.903 7.110 248 1HH2 ARG 31 HH21 ARG 31 4.135 3.832 8.773 249 2HH2 ARG 31 HH22 ARG 31 5.257 4.930 8.028 250 H SER 32 HN SER 32 -4.568 7.095 8.938 251 HA SER 32 HA SER 32 -6.651 6.770 7.043 252 1HB SER 32 HB2 SER 32 -6.446 9.214 8.759 253 2HB SER 32 HB1 SER 32 -7.862 8.228 8.364 254 HG SER 32 HG SER 32 -6.223 8.048 10.480 255 H TYR 33 HN TYR 33 -7.513 8.345 5.581 256 HA TYR 33 HA TYR 33 -5.445 9.477 3.946 257 1HB TYR 33 HB2 TYR 33 -8.455 9.493 3.666 258 2HB TYR 33 HB1 TYR 33 -7.346 10.114 2.451 259 HD1 TYR 33 HD1 TYR 33 -9.370 7.451 3.077 260 HD2 TYR 33 HD2 TYR 33 -5.319 8.251 2.078 261 HE1 TYR 33 HE1 TYR 33 -9.176 5.199 2.107 262 HE2 TYR 33 HE2 TYR 33 -5.103 6.008 1.105 263 HH TYR 33 HH TYR 33 -6.200 3.797 1.392 264 H GLN 34 HN GLN 34 -5.183 10.877 6.207 265 HA GLN 34 HA GLN 34 -5.969 13.568 5.382 266 1HB GLN 34 HB2 GLN 34 -6.564 12.375 8.084 267 2HB GLN 34 HB1 GLN 34 -6.492 14.110 7.813 268 1HG GLN 34 HG2 GLN 34 -8.295 13.906 6.156 269 2HG GLN 34 HG1 GLN 34 -8.383 12.177 6.493 270 1HE2 GLN 34 HE21 GLN 34 -8.973 15.378 7.727 271 2HE2 GLN 34 HE22 GLN 34 -10.002 14.895 9.041 272 H ASP 35 HN ASP 35 -4.097 11.578 7.631 273 HA ASP 35 HA ASP 35 -2.566 13.571 8.816 274 1HB ASP 35 HB2 ASP 35 -2.763 11.218 9.608 275 2HB ASP 35 HB1 ASP 35 -1.711 10.723 8.287 276 HA PRO 36 HA PRO 36 0.148 15.209 5.778 277 1HB PRO 36 HB2 PRO 36 2.103 15.273 8.023 278 2HB PRO 36 HB1 PRO 36 1.581 16.570 6.942 279 1HG PRO 36 HG2 PRO 36 0.680 16.464 9.434 280 2HG PRO 36 HG1 PRO 36 -0.404 16.912 8.102 281 1HD PRO 36 HD2 PRO 36 -0.180 14.324 9.580 282 2HD PRO 36 HD1 PRO 36 -1.627 15.161 8.982 283 H SER 37 HN SER 37 1.212 12.439 7.709 284 HA SER 37 HA SER 37 3.590 12.020 6.128 285 1HB SER 37 HB2 SER 37 3.485 11.230 8.459 286 2HB SER 37 HB1 SER 37 2.122 10.190 8.053 287 HG SER 37 HG SER 37 4.602 9.497 7.996 288 H ASN 38 HN ASN 38 0.283 11.076 6.131 289 HA ASN 38 HA ASN 38 0.611 8.869 4.322 290 1HB ASN 38 HB2 ASN 38 -1.989 10.171 5.107 291 2HB ASN 38 HB1 ASN 38 -1.712 8.508 4.606 292 1HD2 ASN 38 HD21 ASN 38 -3.063 9.237 6.930 293 2HD2 ASN 38 HD22 ASN 38 -2.136 8.713 8.298 294 H ALA 39 HN ALA 39 -0.324 12.220 4.198 295 HA ALA 39 HA ALA 39 -1.395 12.339 1.615 296 1HB ALA 39 HB1 ALA 39 -0.858 14.713 1.678 297 2HB ALA 39 HB2 ALA 39 0.218 14.447 3.049 298 3HB ALA 39 HB3 ALA 39 -1.518 14.184 3.226 299 H GLN 40 HN GLN 40 1.892 12.148 2.747 300 HA GLN 40 HA GLN 40 3.244 12.926 0.419 301 1HB GLN 40 HB2 GLN 40 4.357 12.722 2.570 302 2HB GLN 40 HB1 GLN 40 4.059 11.000 2.597 303 1HG GLN 40 HG2 GLN 40 5.644 12.223 0.380 304 2HG GLN 40 HG1 GLN 40 6.393 11.925 1.942 305 1HE2 GLN 40 HE21 GLN 40 4.978 9.454 2.473 306 2HE2 GLN 40 HE22 GLN 40 5.660 8.266 1.422 307 H PHE 41 HN PHE 41 2.366 9.643 1.549 308 HA PHE 41 HA PHE 41 3.141 8.223 -0.734 309 1HB PHE 41 HB2 PHE 41 0.672 7.662 0.927 310 2HB PHE 41 HB1 PHE 41 1.517 6.521 -0.107 311 HD1 PHE 41 HD1 PHE 41 3.803 5.762 0.547 312 HD2 PHE 41 HD2 PHE 41 1.273 7.996 3.114 313 HE1 PHE 41 HE1 PHE 41 5.124 5.010 2.486 314 HE2 PHE 41 HE2 PHE 41 2.590 7.269 5.069 315 HZ PHE 41 HZ PHE 41 4.517 5.766 4.751 316 H LEU 42 HN LEU 42 -0.045 9.401 0.165 317 HA LEU 42 HA LEU 42 -1.558 8.709 -1.952 318 1HB LEU 42 HB2 LEU 42 -1.608 10.804 0.053 319 2HB LEU 42 HB1 LEU 42 -2.473 11.243 -1.405 320 HG LEU 42 HG LEU 42 -3.573 8.914 -1.088 321 1HD1 LEU 42 HD11 LEU 42 -2.017 8.214 0.665 322 2HD1 LEU 42 HD12 LEU 42 -3.709 8.113 1.145 323 3HD1 LEU 42 HD13 LEU 42 -2.709 9.447 1.723 324 1HD2 LEU 42 HD21 LEU 42 -4.779 11.025 -0.916 325 2HD2 LEU 42 HD22 LEU 42 -4.221 11.211 0.745 326 3HD2 LEU 42 HD23 LEU 42 -5.314 9.894 0.327 327 H GLU 43 HN GLU 43 -0.011 11.890 -1.718 328 HA GLU 43 HA GLU 43 -0.751 12.666 -4.315 329 1HB GLU 43 HB2 GLU 43 -0.150 14.230 -2.472 330 2HB GLU 43 HB1 GLU 43 1.537 13.784 -2.698 331 1HG GLU 43 HG2 GLU 43 1.575 14.711 -4.883 332 2HG GLU 43 HG1 GLU 43 -0.174 14.939 -4.882 333 H SER 44 HN SER 44 2.285 11.199 -3.110 334 HA SER 44 HA SER 44 3.665 11.418 -5.570 335 1HB SER 44 HB2 SER 44 4.006 9.326 -3.409 336 2HB SER 44 HB1 SER 44 5.184 9.759 -4.648 337 HG SER 44 HG SER 44 4.446 11.112 -2.329 338 H ILE 45 HN ILE 45 1.585 8.943 -4.162 339 HA ILE 45 HA ILE 45 1.947 7.062 -6.300 340 HB ILE 45 HB ILE 45 -0.214 7.199 -4.173 341 1HG1 ILE 45 HG12 ILE 45 2.355 5.601 -4.251 342 2HG1 ILE 45 HG11 ILE 45 2.077 7.032 -3.264 343 1HG2 ILE 45 HG21 ILE 45 -0.911 5.799 -6.017 344 2HG2 ILE 45 HG22 ILE 45 -0.515 4.809 -4.608 345 3HG2 ILE 45 HG23 ILE 45 0.620 4.923 -5.953 346 1HD1 ILE 45 HD11 ILE 45 0.317 5.852 -2.051 347 2HD1 ILE 45 HD12 ILE 45 1.862 5.007 -1.949 348 3HD1 ILE 45 HD13 ILE 45 0.604 4.416 -3.035 349 H ARG 46 HN ARG 46 -0.089 9.763 -5.672 350 HA ARG 46 HA ARG 46 -2.090 9.340 -7.631 351 1HB ARG 46 HB2 ARG 46 -2.404 10.945 -5.855 352 2HB ARG 46 HB1 ARG 46 -0.976 11.839 -6.346 353 1HG ARG 46 HG2 ARG 46 -2.121 12.453 -8.442 354 2HG ARG 46 HG1 ARG 46 -3.569 11.622 -7.858 355 1HD ARG 46 HD2 ARG 46 -3.694 13.106 -5.953 356 2HD ARG 46 HD1 ARG 46 -2.186 13.885 -6.424 357 HE ARG 46 HE ARG 46 -3.976 14.128 -8.559 358 1HH1 ARG 46 HH11 ARG 46 -3.643 15.242 -5.254 359 2HH1 ARG 46 HH12 ARG 46 -4.508 16.725 -5.524 360 1HH2 ARG 46 HH21 ARG 46 -5.133 16.083 -8.908 361 2HH2 ARG 46 HH22 ARG 46 -5.354 17.196 -7.591 362 H ARG 47 HN ARG 47 0.954 11.184 -7.671 363 HA ARG 47 HA ARG 47 0.796 11.914 -10.409 364 1HB ARG 47 HB2 ARG 47 3.322 11.641 -8.771 365 2HB ARG 47 HB1 ARG 47 3.066 12.666 -10.177 366 1HG ARG 47 HG2 ARG 47 1.737 12.990 -7.495 367 2HG ARG 47 HG1 ARG 47 3.080 13.952 -8.108 368 1HD ARG 47 HD2 ARG 47 0.480 13.752 -9.585 369 2HD ARG 47 HD1 ARG 47 0.721 14.926 -8.292 370 HE ARG 47 HE ARG 47 2.833 15.424 -9.843 371 1HH1 ARG 47 HH11 ARG 47 -0.536 14.964 -10.691 372 2HH1 ARG 47 HH12 ARG 47 -0.477 16.080 -12.026 373 1HH2 ARG 47 HH21 ARG 47 2.906 16.887 -11.575 374 2HH2 ARG 47 HH22 ARG 47 1.481 17.185 -12.524 375 H GLY 48 HN GLY 48 1.813 9.071 -8.741 376 1HA GLY 48 HA2 GLY 48 1.946 6.978 -9.924 377 2HA GLY 48 HA1 GLY 48 2.573 7.856 -11.314 378 H GLU 49 HN GLU 49 3.877 9.005 -8.459 379 HA GLU 49 HA GLU 49 6.456 7.856 -9.108 380 1HB GLU 49 HB2 GLU 49 5.601 9.944 -7.110 381 2HB GLU 49 HB1 GLU 49 7.264 9.416 -7.339 382 1HG GLU 49 HG2 GLU 49 7.175 10.174 -9.668 383 2HG GLU 49 HG1 GLU 49 5.524 10.736 -9.404 384 H VAL 50 HN VAL 50 7.863 7.256 -7.214 385 HA VAL 50 HA VAL 50 6.409 5.246 -5.663 386 HB VAL 50 HB VAL 50 9.385 5.560 -6.107 387 1HG1 VAL 50 HG11 VAL 50 8.830 4.437 -4.010 388 2HG1 VAL 50 HG12 VAL 50 9.546 3.312 -5.168 389 3HG1 VAL 50 HG13 VAL 50 7.804 3.301 -4.886 390 1HG2 VAL 50 HG21 VAL 50 9.151 3.616 -7.599 391 2HG2 VAL 50 HG22 VAL 50 8.236 5.007 -8.179 392 3HG2 VAL 50 HG23 VAL 50 7.402 3.673 -7.382 393 HA PRO 51 HA PRO 51 6.800 7.789 -1.988 394 1HB PRO 51 HB2 PRO 51 6.207 5.214 -0.662 395 2HB PRO 51 HB1 PRO 51 5.362 6.759 -0.548 396 1HG PRO 51 HG2 PRO 51 4.327 4.691 -1.865 397 2HG PRO 51 HG1 PRO 51 4.101 6.360 -2.418 398 1HD PRO 51 HD2 PRO 51 5.933 4.241 -3.463 399 2HD PRO 51 HD1 PRO 51 5.011 5.468 -4.358 400 H ALA 52 HN ALA 52 8.391 8.090 -0.487 401 HA ALA 52 HA ALA 52 10.866 6.845 -1.124 402 1HB ALA 52 HB1 ALA 52 10.723 9.218 -0.576 403 2HB ALA 52 HB2 ALA 52 11.835 8.379 0.507 404 3HB ALA 52 HB3 ALA 52 10.220 8.816 1.066 405 H GLU 53 HN GLU 53 8.461 6.274 1.267 406 HA GLU 53 HA GLU 53 9.965 5.116 3.317 407 1HB GLU 53 HB2 GLU 53 7.174 4.499 2.330 408 2HB GLU 53 HB1 GLU 53 7.845 3.838 3.810 409 1HG GLU 53 HG2 GLU 53 6.352 5.757 4.171 410 2HG GLU 53 HG1 GLU 53 7.982 6.022 4.794 411 H LEU 54 HN LEU 54 8.807 3.809 0.283 412 HA LEU 54 HA LEU 54 9.650 1.111 0.981 413 1HB LEU 54 HB2 LEU 54 8.852 1.138 -1.704 414 2HB LEU 54 HB1 LEU 54 7.943 0.537 -0.337 415 HG LEU 54 HG LEU 54 7.775 3.402 -1.251 416 1HD1 LEU 54 HD11 LEU 54 5.682 2.694 -2.370 417 2HD1 LEU 54 HD12 LEU 54 6.117 1.016 -2.038 418 3HD1 LEU 54 HD13 LEU 54 7.128 1.993 -3.098 419 1HD2 LEU 54 HD21 LEU 54 7.020 2.941 1.039 420 2HD2 LEU 54 HD22 LEU 54 5.959 1.670 0.430 421 3HD2 LEU 54 HD23 LEU 54 5.665 3.354 -0.011 422 H ARG 55 HN ARG 55 10.490 3.800 -1.052 423 HA ARG 55 HA ARG 55 12.519 2.452 -2.529 424 1HB ARG 55 HB2 ARG 55 11.228 4.526 -3.219 425 2HB ARG 55 HB1 ARG 55 12.256 5.425 -2.113 426 1HG ARG 55 HG2 ARG 55 13.421 3.734 -4.305 427 2HG ARG 55 HG1 ARG 55 12.883 5.396 -4.588 428 1HD ARG 55 HD2 ARG 55 14.775 4.629 -2.400 429 2HD ARG 55 HD1 ARG 55 15.327 5.115 -4.014 430 HE ARG 55 HE ARG 55 13.542 7.050 -3.002 431 1HH1 ARG 55 HH11 ARG 55 16.810 5.871 -2.502 432 2HH1 ARG 55 HH12 ARG 55 17.382 7.375 -1.832 433 1HH2 ARG 55 HH21 ARG 55 14.293 9.020 -2.158 434 2HH2 ARG 55 HH22 ARG 55 15.947 9.171 -1.656 435 H ARG 56 HN ARG 56 12.443 4.271 0.488 436 HA ARG 56 HA ARG 56 15.249 3.801 0.935 437 1HB ARG 56 HB2 ARG 56 13.072 4.904 2.695 438 2HB ARG 56 HB1 ARG 56 14.744 4.711 3.216 439 1HG ARG 56 HG2 ARG 56 13.968 6.288 0.785 440 2HG ARG 56 HG1 ARG 56 14.077 7.006 2.396 441 1HD ARG 56 HD2 ARG 56 16.148 7.377 1.188 442 2HD ARG 56 HD1 ARG 56 16.424 6.285 2.540 443 HE ARG 56 HE ARG 56 16.168 5.357 -0.248 444 1HH1 ARG 56 HH11 ARG 56 17.711 5.269 2.897 445 2HH1 ARG 56 HH12 ARG 56 18.812 3.992 2.460 446 1HH2 ARG 56 HH21 ARG 56 17.620 3.668 -0.827 447 2HH2 ARG 56 HH22 ARG 56 18.759 3.077 0.354 448 H LEU 57 HN LEU 57 13.679 1.477 0.386 449 HA LEU 57 HA LEU 57 14.467 -0.039 2.775 450 1HB LEU 57 HB2 LEU 57 11.931 0.194 2.453 451 2HB LEU 57 HB1 LEU 57 12.127 -0.780 1.014 452 HG LEU 57 HG LEU 57 11.322 -2.023 3.033 453 1HD1 LEU 57 HD11 LEU 57 12.789 -3.953 2.754 454 2HD1 LEU 57 HD12 LEU 57 13.965 -2.940 1.915 455 3HD1 LEU 57 HD13 LEU 57 12.377 -3.226 1.202 456 1HD2 LEU 57 HD21 LEU 57 14.116 -1.501 4.032 457 2HD2 LEU 57 HD22 LEU 57 12.938 -2.583 4.777 458 3HD2 LEU 57 HD23 LEU 57 12.628 -0.847 4.715 459 H ALA 58 HN ALA 58 13.375 -0.538 -0.584 460 HA ALA 58 HA ALA 58 15.612 -2.289 -1.176 461 1HB ALA 58 HB1 ALA 58 14.700 -2.283 -3.467 462 2HB ALA 58 HB2 ALA 58 13.519 -1.062 -2.993 463 3HB ALA 58 HB3 ALA 58 13.455 -2.674 -2.280 464 H HIS 59 HN HIS 59 17.146 -1.737 -2.896 465 HA HIS 59 HA HIS 59 18.345 0.795 -2.353 466 1HB HIS 59 HB2 HIS 59 20.163 0.098 -3.694 467 2HB HIS 59 HB1 HIS 59 19.564 -1.362 -2.919 468 HD1 HIS 59 HD1 HIS 59 20.932 -0.457 -5.952 469 HD2 HIS 59 HD2 HIS 59 17.447 -2.511 -4.973 470 HE1 HIS 59 HE1 HIS 59 20.300 -1.747 -8.017 471 HE2 HIS 59 HE2 HIS 59 18.269 -3.087 -7.364 472 H GLY 60 HN GLY 60 15.773 1.229 -3.467 473 1HA GLY 60 HA2 GLY 60 14.747 2.552 -5.058 474 2HA GLY 60 HA1 GLY 60 16.343 2.911 -5.712 475 H GLY 61 HN GLY 61 15.626 -0.388 -5.338 476 1HA GLY 61 HA2 GLY 61 15.128 -0.601 -8.231 477 2HA GLY 61 HA1 GLY 61 16.116 -1.750 -7.336 478 H GLN 62 HN GLN 62 14.000 -2.595 -8.877 479 HA GLN 62 HA GLN 62 11.637 -2.753 -8.980 480 1HB GLN 62 HB2 GLN 62 13.027 -4.795 -9.050 481 2HB GLN 62 HB1 GLN 62 12.710 -5.023 -7.342 482 1HG GLN 62 HG2 GLN 62 10.321 -5.229 -7.793 483 2HG GLN 62 HG1 GLN 62 10.618 -4.966 -9.510 484 1HE2 GLN 62 HE21 GLN 62 13.082 -6.539 -9.459 485 2HE2 GLN 62 HE22 GLN 62 12.585 -8.197 -9.398 486 H VAL 63 HN VAL 63 11.454 -0.841 -7.368 487 HA VAL 63 HA VAL 63 10.290 -1.707 -4.829 488 HB VAL 63 HB VAL 63 11.901 0.013 -4.511 489 1HG1 VAL 63 HG11 VAL 63 12.038 0.840 -6.805 490 2HG1 VAL 63 HG12 VAL 63 11.866 2.169 -5.659 491 3HG1 VAL 63 HG13 VAL 63 10.481 1.642 -6.615 492 1HG2 VAL 63 HG21 VAL 63 10.584 1.859 -3.580 493 2HG2 VAL 63 HG22 VAL 63 9.893 0.288 -3.174 494 3HG2 VAL 63 HG23 VAL 63 9.163 1.272 -4.444 495 H ASN 64 HN ASN 64 8.174 -2.246 -5.118 496 HA ASN 64 HA ASN 64 6.463 -0.327 -6.518 497 1HB ASN 64 HB2 ASN 64 7.276 -2.270 -7.961 498 2HB ASN 64 HB1 ASN 64 6.248 -3.282 -6.968 499 1HD2 ASN 64 HD21 ASN 64 5.403 0.026 -7.766 500 2HD2 ASN 64 HD22 ASN 64 4.081 -0.381 -8.822 501 H LEU 65 HN LEU 65 4.164 -0.733 -6.157 502 HA LEU 65 HA LEU 65 3.566 -2.218 -3.704 503 1HB LEU 65 HB2 LEU 65 2.293 -0.457 -2.841 504 2HB LEU 65 HB1 LEU 65 3.703 0.339 -3.499 505 HG LEU 65 HG LEU 65 1.358 0.089 -5.286 506 1HD1 LEU 65 HD11 LEU 65 1.492 2.046 -2.986 507 2HD1 LEU 65 HD12 LEU 65 0.310 0.752 -3.179 508 3HD1 LEU 65 HD13 LEU 65 0.335 2.102 -4.314 509 1HD2 LEU 65 HD21 LEU 65 3.407 2.209 -4.677 510 2HD2 LEU 65 HD22 LEU 65 2.143 2.358 -5.902 511 3HD2 LEU 65 HD23 LEU 65 3.391 1.121 -6.062 512 H ASP 66 HN ASP 66 1.296 -2.843 -3.552 513 HA ASP 66 HA ASP 66 -0.147 -2.739 -6.109 514 1HB ASP 66 HB2 ASP 66 0.224 -5.101 -4.270 515 2HB ASP 66 HB1 ASP 66 -1.192 -4.986 -5.309 516 H MET 67 HN MET 67 -2.420 -2.543 -5.938 517 HA MET 67 HA MET 67 -3.201 -1.456 -3.313 518 1HB MET 67 HB2 MET 67 -4.161 -0.653 -6.064 519 2HB MET 67 HB1 MET 67 -4.757 0.013 -4.550 520 1HG MET 67 HG2 MET 67 -2.503 0.844 -4.048 521 2HG MET 67 HG1 MET 67 -1.946 0.226 -5.602 522 1HE MET 67 HE1 MET 67 -5.004 3.656 -5.108 523 2HE MET 67 HE2 MET 67 -4.202 2.848 -3.758 524 3HE MET 67 HE3 MET 67 -5.388 1.975 -4.733 525 H GLU 68 HN GLU 68 -4.686 -2.508 -2.264 526 HA GLU 68 HA GLU 68 -6.636 -4.178 -3.712 527 1HB GLU 68 HB2 GLU 68 -5.763 -4.186 -0.823 528 2HB GLU 68 HB1 GLU 68 -7.054 -5.185 -1.464 529 1HG GLU 68 HG2 GLU 68 -5.465 -6.349 -2.881 530 2HG GLU 68 HG1 GLU 68 -4.164 -5.315 -2.280 531 H ASP 69 HN ASP 69 -8.861 -4.120 -2.919 532 HA ASP 69 HA ASP 69 -9.540 -1.590 -1.560 533 1HB ASP 69 HB2 ASP 69 -10.487 -1.915 -3.859 534 2HB ASP 69 HB1 ASP 69 -11.361 -3.319 -3.257 535 H HIS 70 HN HIS 70 -10.133 -1.798 0.473 536 HA HIS 70 HA HIS 70 -11.872 -4.000 1.275 537 1HB HIS 70 HB2 HIS 70 -9.293 -3.325 2.713 538 2HB HIS 70 HB1 HIS 70 -10.566 -4.330 3.386 539 HD1 HIS 70 HD1 HIS 70 -10.815 -6.754 2.423 540 HD2 HIS 70 HD2 HIS 70 -7.645 -4.553 0.844 541 HE1 HIS 70 HE1 HIS 70 -9.335 -8.420 1.260 542 HE2 HIS 70 HE2 HIS 70 -7.427 -7.076 0.289 543 H ARG 71 HN ARG 71 -12.491 -1.371 0.712 544 HA ARG 71 HA ARG 71 -12.326 0.396 2.897 545 1HB ARG 71 HB2 ARG 71 -14.348 0.311 0.652 546 2HB ARG 71 HB1 ARG 71 -14.095 1.670 1.742 547 1HG ARG 71 HG2 ARG 71 -11.888 2.022 0.898 548 2HG ARG 71 HG1 ARG 71 -11.970 0.544 -0.064 549 1HD ARG 71 HD2 ARG 71 -12.327 2.504 -1.460 550 2HD ARG 71 HD1 ARG 71 -13.783 1.511 -1.390 551 HE ARG 71 HE ARG 71 -13.695 3.675 0.526 552 1HH1 ARG 71 HH11 ARG 71 -14.689 2.649 -2.678 553 2HH1 ARG 71 HH12 ARG 71 -15.865 3.922 -2.847 554 1HH2 ARG 71 HH21 ARG 71 -15.233 5.350 0.301 555 2HH2 ARG 71 HH22 ARG 71 -16.166 5.459 -1.173 556 H ASP 72 HN ASP 72 -15.002 -1.637 1.773 557 HA ASP 72 HA ASP 72 -16.586 -1.080 4.127 558 1HB ASP 72 HB2 ASP 72 -17.525 -1.429 1.803 559 2HB ASP 72 HB1 ASP 72 -17.086 -3.124 1.945 560 H GLU 73 HN GLU 73 -13.923 -2.536 4.063 561 HA GLU 73 HA GLU 73 -14.674 -5.065 5.364 562 1HB GLU 73 HB2 GLU 73 -12.251 -4.144 3.843 563 2HB GLU 73 HB1 GLU 73 -12.162 -5.527 4.914 564 1HG GLU 73 HG2 GLU 73 -14.403 -5.635 3.055 565 2HG GLU 73 HG1 GLU 73 -12.818 -5.598 2.274 566 H ASP 74 HN ASP 74 -13.098 -2.037 5.721 567 HA ASP 74 HA ASP 74 -11.977 -0.956 7.348 568 1HB ASP 74 HB2 ASP 74 -13.979 -2.183 8.716 569 2HB ASP 74 HB1 ASP 74 -12.566 -2.874 9.514 570 H PHE 75 HN PHE 75 -10.365 -1.577 9.385 571 HA PHE 75 HA PHE 75 -8.130 -2.396 7.862 572 1HB PHE 75 HB2 PHE 75 -7.986 -0.718 9.630 573 2HB PHE 75 HB1 PHE 75 -8.340 -1.949 10.833 574 HD1 PHE 75 HD1 PHE 75 -6.467 -2.043 12.163 575 HD2 PHE 75 HD2 PHE 75 -5.966 -2.098 7.920 576 HE1 PHE 75 HE1 PHE 75 -4.050 -2.405 12.446 577 HE2 PHE 75 HE2 PHE 75 -3.554 -2.437 8.213 578 HZ PHE 75 HZ PHE 75 -2.598 -2.600 10.475 579 H VAL 76 HN VAL 76 -7.621 -4.315 7.313 580 HA VAL 76 HA VAL 76 -7.184 -6.367 9.309 581 HB VAL 76 HB VAL 76 -8.091 -8.091 7.616 582 1HG1 VAL 76 HG11 VAL 76 -10.314 -8.057 8.630 583 2HG1 VAL 76 HG12 VAL 76 -10.037 -6.408 9.189 584 3HG1 VAL 76 HG13 VAL 76 -9.062 -7.730 9.830 585 1HG2 VAL 76 HG21 VAL 76 -8.514 -6.559 5.781 586 2HG2 VAL 76 HG22 VAL 76 -9.692 -5.688 6.763 587 3HG2 VAL 76 HG23 VAL 76 -10.004 -7.356 6.283 588 H LYS 77 HN LYS 77 -5.171 -5.001 8.350 589 HA LYS 77 HA LYS 77 -4.227 -5.933 5.810 590 1HB LYS 77 HB2 LYS 77 -2.342 -4.572 6.122 591 2HB LYS 77 HB1 LYS 77 -3.617 -3.702 6.960 592 1HG LYS 77 HG2 LYS 77 -2.710 -4.073 9.018 593 2HG LYS 77 HG1 LYS 77 -1.950 -5.590 8.535 594 1HD LYS 77 HD2 LYS 77 -1.024 -2.934 7.462 595 2HD LYS 77 HD1 LYS 77 -0.410 -3.590 8.982 596 1HE LYS 77 HE2 LYS 77 0.222 -5.663 7.724 597 2HE LYS 77 HE1 LYS 77 -0.219 -4.828 6.238 598 1HZ LYS 77 HZ1 LYS 77 1.881 -3.941 8.136 599 2HZ LYS 77 HZ2 LYS 77 1.486 -3.188 6.676 600 3HZ LYS 77 HZ3 LYS 77 2.164 -4.745 6.675 601 HA PRO 78 HA PRO 78 -1.762 -9.473 6.997 602 1HB PRO 78 HB2 PRO 78 0.752 -8.123 6.186 603 2HB PRO 78 HB1 PRO 78 0.025 -9.611 5.565 604 1HG PRO 78 HG2 PRO 78 -0.015 -7.378 4.104 605 2HG PRO 78 HG1 PRO 78 -1.432 -8.451 4.149 606 1HD PRO 78 HD2 PRO 78 -0.929 -5.915 5.664 607 2HD PRO 78 HD1 PRO 78 -2.397 -6.396 4.789 608 H LYS 79 HN LYS 79 -2.277 -7.863 9.192 609 HA LYS 79 HA LYS 79 0.203 -8.173 10.764 610 1HB LYS 79 HB2 LYS 79 -2.081 -6.231 11.094 611 2HB LYS 79 HB1 LYS 79 -0.953 -6.581 12.395 612 1HG LYS 79 HG2 LYS 79 -0.372 -5.305 9.739 613 2HG LYS 79 HG1 LYS 79 -0.253 -4.578 11.346 614 1HD LYS 79 HD2 LYS 79 1.407 -6.637 11.701 615 2HD LYS 79 HD1 LYS 79 1.587 -6.440 9.958 616 1HE LYS 79 HE2 LYS 79 3.282 -5.137 10.959 617 2HE LYS 79 HE1 LYS 79 2.052 -4.004 10.402 618 1HZ LYS 79 HZ1 LYS 79 2.833 -3.462 12.621 619 2HZ LYS 79 HZ2 LYS 79 2.359 -4.991 13.188 620 3HZ LYS 79 HZ3 LYS 79 1.187 -3.884 12.654 621 H GLY 80 HN GLY 80 -3.325 -8.009 11.276 622 1HA GLY 80 HA2 GLY 80 -3.022 -10.141 13.294 623 2HA GLY 80 HA1 GLY 80 -4.345 -8.982 13.229 624 H ALA 81 HN ALA 81 -2.962 -10.864 10.613 625 HA ALA 81 HA ALA 81 -5.178 -12.667 10.426 626 1HB ALA 81 HB1 ALA 81 -6.246 -10.643 9.559 627 2HB ALA 81 HB2 ALA 81 -6.050 -11.852 8.289 628 3HB ALA 81 HB3 ALA 81 -4.957 -10.469 8.367 629 H PHE 82 HN PHE 82 -2.649 -11.027 8.536 630 HA PHE 82 HA PHE 82 -1.082 -11.793 7.088 631 1HB PHE 82 HB2 PHE 82 -1.179 -14.050 9.079 632 2HB PHE 82 HB1 PHE 82 -0.077 -14.084 7.709 633 HD1 PHE 82 HD1 PHE 82 -0.495 -13.087 11.060 634 HD2 PHE 82 HD2 PHE 82 1.449 -11.991 7.437 635 HE1 PHE 82 HE1 PHE 82 1.147 -11.776 12.337 636 HE2 PHE 82 HE2 PHE 82 3.091 -10.677 8.712 637 HZ PHE 82 HZ PHE 82 2.941 -10.574 11.163 638 H LYS 83 HN LYS 83 -3.427 -11.944 5.924 639 HA LYS 83 HA LYS 83 -3.100 -14.128 4.115 640 1HB LYS 83 HB2 LYS 83 -5.453 -14.964 4.390 641 2HB LYS 83 HB1 LYS 83 -4.367 -15.360 5.712 642 1HG LYS 83 HG2 LYS 83 -5.309 -13.480 7.001 643 2HG LYS 83 HG1 LYS 83 -6.448 -13.184 5.688 644 1HD LYS 83 HD2 LYS 83 -7.688 -14.476 7.178 645 2HD LYS 83 HD1 LYS 83 -7.118 -15.661 6.003 646 1HE LYS 83 HE2 LYS 83 -5.883 -15.106 8.703 647 2HE LYS 83 HE1 LYS 83 -6.913 -16.478 8.306 648 1HZ LYS 83 HZ1 LYS 83 -5.169 -17.048 6.582 649 2HZ LYS 83 HZ2 LYS 83 -4.729 -17.275 8.200 650 3HZ LYS 83 HZ3 LYS 83 -4.166 -15.919 7.354 651 H ALA 84 HN ALA 84 -3.540 -13.411 2.165 652 HA ALA 84 HA ALA 84 -5.465 -11.198 1.864 653 1HB ALA 84 HB1 ALA 84 -3.195 -10.541 1.248 654 2HB ALA 84 HB2 ALA 84 -4.240 -10.579 -0.175 655 3HB ALA 84 HB3 ALA 84 -3.100 -11.893 0.117 656 H PHE 85 HN PHE 85 -6.857 -13.250 2.034 657 HA PHE 85 HA PHE 85 -6.875 -15.043 -0.183 658 1HB PHE 85 HB2 PHE 85 -9.006 -15.886 0.818 659 2HB PHE 85 HB1 PHE 85 -7.646 -15.873 1.930 660 HD1 PHE 85 HD1 PHE 85 -7.526 -14.108 3.692 661 HD2 PHE 85 HD2 PHE 85 -10.972 -14.663 1.257 662 HE1 PHE 85 HE1 PHE 85 -8.872 -12.847 5.318 663 HE2 PHE 85 HE2 PHE 85 -12.325 -13.401 2.880 664 HZ PHE 85 HZ PHE 85 -11.275 -12.492 4.914 665 H THR 86 HN THR 86 -8.376 -11.998 0.460 666 HA THR 86 HA THR 86 -9.970 -12.265 -1.998 667 HB THR 86 HB THR 86 -10.112 -10.013 0.017 668 HG1 THR 86 HG1 THR 86 -11.443 -12.527 -0.083 669 1HG2 THR 86 HG21 THR 86 -11.996 -10.959 -2.151 670 2HG2 THR 86 HG22 THR 86 -11.040 -9.475 -2.164 671 3HG2 THR 86 HG23 THR 86 -12.346 -9.674 -0.996 672 H GLY 87 HN GLY 87 -8.358 -11.953 -3.532 673 1HA GLY 87 HA2 GLY 87 -6.610 -9.616 -3.210 674 2HA GLY 87 HA1 GLY 87 -6.323 -10.975 -4.284 675 H GLU 88 HN GLU 88 -6.011 -9.778 -6.097 676 HA GLU 88 HA GLU 88 -7.319 -7.536 -6.958 677 1HB GLU 88 HB2 GLU 88 -6.600 -8.217 -9.255 678 2HB GLU 88 HB1 GLU 88 -5.331 -8.276 -8.041 679 1HG GLU 88 HG2 GLU 88 -5.629 -10.704 -7.857 680 2HG GLU 88 HG1 GLU 88 -6.873 -10.631 -9.103 681 H GLY 89 HN GLY 89 -9.249 -7.036 -7.766 682 1HA GLY 89 HA2 GLY 89 -11.116 -7.507 -9.230 683 2HA GLY 89 HA1 GLY 89 -10.947 -9.210 -8.823 684 H GLN 90 HN GLN 90 -10.912 -6.465 -6.621 685 HA GLN 90 HA GLN 90 -12.912 -7.783 -4.996 686 1HB GLN 90 HB2 GLN 90 -11.272 -5.286 -4.541 687 2HB GLN 90 HB1 GLN 90 -12.389 -5.972 -3.365 688 1HG GLN 90 HG2 GLN 90 -10.953 -7.562 -2.749 689 2HG GLN 90 HG1 GLN 90 -10.474 -7.902 -4.410 690 1HE2 GLN 90 HE21 GLN 90 -8.784 -7.768 -2.099 691 2HE2 GLN 90 HE22 GLN 90 -7.637 -6.509 -2.397 692 H LYS 91 HN LYS 91 -14.825 -7.585 -5.995 693 HA LYS 91 HA LYS 91 -16.833 -6.714 -6.535 694 1HB LYS 91 HB2 LYS 91 -15.884 -4.406 -4.836 695 2HB LYS 91 HB1 LYS 91 -17.528 -4.595 -5.428 696 1HG LYS 91 HG2 LYS 91 -17.630 -6.773 -4.212 697 2HG LYS 91 HG1 LYS 91 -16.064 -6.382 -3.504 698 1HD LYS 91 HD2 LYS 91 -17.604 -5.700 -1.886 699 2HD LYS 91 HD1 LYS 91 -17.173 -4.208 -2.720 700 1HE LYS 91 HE2 LYS 91 -19.617 -5.860 -3.352 701 2HE LYS 91 HE1 LYS 91 -19.617 -4.482 -2.257 702 1HZ LYS 91 HZ1 LYS 91 -19.007 -4.444 -5.165 703 2HZ LYS 91 HZ2 LYS 91 -18.830 -3.106 -4.137 704 3HZ LYS 91 HZ3 LYS 91 -20.368 -3.783 -4.400 705 H LEU 92 HN LEU 92 -14.587 -6.227 -8.322 706 HA LEU 92 HA LEU 92 -15.299 -3.650 -9.501 707 1HB LEU 92 HB2 LEU 92 -12.908 -4.226 -9.280 708 2HB LEU 92 HB1 LEU 92 -13.163 -5.627 -10.304 709 HG LEU 92 HG LEU 92 -13.777 -4.127 -12.171 710 1HD1 LEU 92 HD11 LEU 92 -12.956 -1.918 -10.292 711 2HD1 LEU 92 HD12 LEU 92 -14.598 -2.241 -10.853 712 3HD1 LEU 92 HD13 LEU 92 -13.356 -1.738 -12.001 713 1HD2 LEU 92 HD21 LEU 92 -11.098 -3.534 -10.921 714 2HD2 LEU 92 HD22 LEU 92 -11.525 -3.311 -12.620 715 3HD2 LEU 92 HD23 LEU 92 -11.485 -4.932 -11.924 716 H GLY 93 HN GLY 93 -17.422 -4.322 -10.101 717 1HA GLY 93 HA2 GLY 93 -17.964 -4.791 -12.664 718 2HA GLY 93 HA1 GLY 93 -17.669 -6.427 -12.091 719 H SER 94 HN SER 94 -19.972 -6.442 -12.969 720 HA SER 94 HA SER 94 -22.143 -6.863 -12.558 721 1HB SER 94 HB2 SER 94 -21.312 -6.549 -9.670 722 2HB SER 94 HB1 SER 94 -22.901 -7.113 -10.191 723 HG SER 94 HG SER 94 -22.070 -8.969 -10.817 724 H THR 95 HN THR 95 -20.833 -3.981 -12.345 725 HA THR 95 HA THR 95 -21.557 -1.841 -12.379 726 HB THR 95 HB THR 95 -24.315 -3.042 -12.690 727 HG1 THR 95 HG1 THR 95 -22.515 -3.601 -14.264 728 1HG2 THR 95 HG21 THR 95 -24.865 -0.926 -13.787 729 2HG2 THR 95 HG22 THR 95 -23.239 -0.326 -13.466 730 3HG2 THR 95 HG23 THR 95 -24.339 -0.651 -12.126 731 H ALA 96 HN ALA 96 -21.030 -1.184 -10.335 732 HA ALA 96 HA ALA 96 -23.258 -1.174 -8.396 733 1HB ALA 96 HB1 ALA 96 -20.309 -1.220 -7.762 734 2HB ALA 96 HB2 ALA 96 -21.405 -2.595 -7.634 735 3HB ALA 96 HB3 ALA 96 -21.626 -1.191 -6.591 736 HA PRO 97 HA PRO 97 -22.407 3.208 -9.530 737 1HB PRO 97 HB2 PRO 97 -25.266 3.531 -8.960 738 2HB PRO 97 HB1 PRO 97 -24.375 3.892 -10.441 739 1HG PRO 97 HG2 PRO 97 -26.120 1.839 -10.270 740 2HG PRO 97 HG1 PRO 97 -24.674 1.777 -11.295 741 1HD PRO 97 HD2 PRO 97 -25.141 0.561 -8.596 742 2HD PRO 97 HD1 PRO 97 -24.316 -0.124 -10.014 743 H GLN 98 HN GLN 98 -25.019 2.573 -7.208 744 HA GLN 98 HA GLN 98 -23.421 3.792 -5.077 745 1HB GLN 98 HB2 GLN 98 -26.274 4.528 -5.767 746 2HB GLN 98 HB1 GLN 98 -25.458 5.002 -4.284 747 1HG GLN 98 HG2 GLN 98 -23.799 6.232 -5.611 748 2HG GLN 98 HG1 GLN 98 -24.665 5.785 -7.079 749 1HE2 GLN 98 HE21 GLN 98 -24.089 8.419 -5.929 750 2HE2 GLN 98 HE22 GLN 98 -25.632 9.191 -5.750 751 H VAL 99 HN VAL 99 -23.302 2.377 -3.476 752 HA VAL 99 HA VAL 99 -25.141 0.170 -3.325 753 HB VAL 99 HB VAL 99 -22.814 -0.286 -2.899 754 1HG1 VAL 99 HG11 VAL 99 -21.628 0.587 -0.936 755 2HG1 VAL 99 HG12 VAL 99 -23.004 1.629 -0.579 756 3HG1 VAL 99 HG13 VAL 99 -22.081 1.866 -2.063 757 1HG2 VAL 99 HG21 VAL 99 -24.440 -0.546 -0.373 758 2HG2 VAL 99 HG22 VAL 99 -22.971 -1.451 -0.743 759 3HG2 VAL 99 HG23 VAL 99 -24.419 -1.676 -1.728 760 H LEU 100 HN LEU 100 -27.019 1.415 -2.997 761 HA LEU 100 HA LEU 100 -27.780 1.608 -0.243 762 1HB LEU 100 HB2 LEU 100 -26.608 3.848 -0.924 763 2HB LEU 100 HB1 LEU 100 -28.081 4.153 -1.818 764 HG LEU 100 HG LEU 100 -27.982 3.658 1.160 765 1HD1 LEU 100 HD11 LEU 100 -28.210 6.250 -0.364 766 2HD1 LEU 100 HD12 LEU 100 -26.810 5.714 0.565 767 3HD1 LEU 100 HD13 LEU 100 -28.332 6.062 1.385 768 1HD2 LEU 100 HD21 LEU 100 -30.256 4.607 1.112 769 2HD2 LEU 100 HD22 LEU 100 -30.135 3.104 0.199 770 3HD2 LEU 100 HD23 LEU 100 -30.184 4.648 -0.649 771 H SER 101 HN SER 101 -28.774 3.081 -3.333 772 HA SER 101 HA SER 101 -31.466 2.129 -3.059 773 1HB SER 101 HB2 SER 101 -30.187 3.236 -5.560 774 2HB SER 101 HB1 SER 101 -31.890 3.285 -5.097 775 HG SER 101 HG SER 101 -31.198 4.634 -3.290 776 H THR 102 HN THR 102 -28.858 1.541 -5.393 777 HA THR 102 HA THR 102 -28.333 -0.194 -6.744 778 HB THR 102 HB THR 102 -29.764 -1.947 -4.737 779 HG1 THR 102 HG1 THR 102 -28.147 -1.608 -3.378 780 1HG2 THR 102 HG21 THR 102 -27.385 -2.448 -6.544 781 2HG2 THR 102 HG22 THR 102 -29.015 -3.080 -6.780 782 3HG2 THR 102 HG23 THR 102 -28.062 -3.598 -5.390 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -10.439 -17.432 -2.594 2 2H GLY 1 HT2 GLY 1 -9.344 -18.467 -3.378 3 3H GLY 1 HT3 GLY 1 -9.002 -16.812 -3.240 4 1HA GLY 1 HA1 GLY 1 -9.282 -18.630 -0.919 5 2HA GLY 1 HA2 GLY 1 -7.740 -18.221 -1.662 6 H SER 2 HN SER 2 -6.907 -17.152 0.117 7 HA SER 2 HA SER 2 -8.385 -14.842 1.132 8 1HB SER 2 HB2 SER 2 -5.801 -16.058 2.141 9 2HB SER 2 HB1 SER 2 -6.773 -14.830 2.956 10 HG SER 2 HG SER 2 -8.296 -16.313 3.423 11 H GLU 3 HN GLU 3 -6.527 -15.397 -1.389 12 HA GLU 3 HA GLU 3 -5.469 -14.060 -2.864 13 1HB GLU 3 HB2 GLU 3 -7.080 -12.327 -2.172 14 2HB GLU 3 HB1 GLU 3 -5.978 -11.824 -0.899 15 1HG GLU 3 HG2 GLU 3 -4.327 -11.183 -2.560 16 2HG GLU 3 HG1 GLU 3 -5.400 -11.725 -3.852 17 H LYS 4 HN LYS 4 -4.427 -12.463 0.150 18 HA LYS 4 HA LYS 4 -1.663 -12.876 -0.723 19 1HB LYS 4 HB2 LYS 4 -2.706 -11.121 1.507 20 2HB LYS 4 HB1 LYS 4 -1.066 -11.143 0.878 21 1HG LYS 4 HG2 LYS 4 -1.986 -10.398 -1.323 22 2HG LYS 4 HG1 LYS 4 -3.550 -10.194 -0.527 23 1HD LYS 4 HD2 LYS 4 -2.429 -8.665 1.104 24 2HD LYS 4 HD1 LYS 4 -0.970 -8.773 0.119 25 1HE LYS 4 HE2 LYS 4 -2.118 -6.768 -0.478 26 2HE LYS 4 HE1 LYS 4 -2.294 -7.911 -1.808 27 1HZ LYS 4 HZ1 LYS 4 -4.513 -8.268 -1.322 28 2HZ LYS 4 HZ2 LYS 4 -4.338 -6.613 -0.998 29 3HZ LYS 4 HZ3 LYS 4 -4.366 -7.721 0.278 30 H ARG 5 HN ARG 5 -3.168 -15.078 0.410 31 HA ARG 5 HA ARG 5 -2.603 -15.514 3.115 32 1HB ARG 5 HB2 ARG 5 -4.224 -16.818 1.794 33 2HB ARG 5 HB1 ARG 5 -2.898 -17.548 0.901 34 1HG ARG 5 HG2 ARG 5 -2.052 -18.543 2.976 35 2HG ARG 5 HG1 ARG 5 -3.408 -17.836 3.857 36 1HD ARG 5 HD2 ARG 5 -3.654 -19.795 1.575 37 2HD ARG 5 HD1 ARG 5 -3.765 -20.213 3.284 38 HE ARG 5 HE ARG 5 -5.685 -18.464 3.212 39 1HH1 ARG 5 HH11 ARG 5 -4.883 -20.790 0.723 40 2HH1 ARG 5 HH12 ARG 5 -6.510 -20.891 0.121 41 1HH2 ARG 5 HH21 ARG 5 -7.822 -18.597 2.434 42 2HH2 ARG 5 HH22 ARG 5 -8.196 -19.681 1.120 43 H GLN 6 HN GLN 6 -0.905 -16.795 0.245 44 HA GLN 6 HA GLN 6 1.352 -17.520 1.945 45 1HB GLN 6 HB2 GLN 6 0.718 -18.095 -0.948 46 2HB GLN 6 HB1 GLN 6 2.249 -18.523 -0.200 47 1HG GLN 6 HG2 GLN 6 -0.461 -19.510 0.666 48 2HG GLN 6 HG1 GLN 6 0.711 -20.414 -0.291 49 1HE2 GLN 6 HE21 GLN 6 2.605 -21.158 0.698 50 2HE2 GLN 6 HE22 GLN 6 2.747 -21.288 2.419 51 H HIS 7 HN HIS 7 2.945 -16.182 2.251 52 HA HIS 7 HA HIS 7 3.905 -14.506 0.077 53 1HB HIS 7 HB2 HIS 7 3.948 -12.485 1.563 54 2HB HIS 7 HB1 HIS 7 2.333 -12.994 1.089 55 HD1 HIS 7 HD1 HIS 7 4.675 -13.250 4.090 56 HD2 HIS 7 HD2 HIS 7 0.618 -13.363 3.166 57 HE1 HIS 7 HE1 HIS 7 3.475 -13.273 6.294 58 HE2 HIS 7 HE2 HIS 7 1.033 -13.107 5.705 59 H SER 8 HN SER 8 5.742 -13.029 1.307 60 HA SER 8 HA SER 8 7.713 -12.923 2.410 61 1HB SER 8 HB2 SER 8 6.824 -15.434 3.846 62 2HB SER 8 HB1 SER 8 8.190 -14.412 4.297 63 HG SER 8 HG SER 8 6.832 -13.226 5.351 64 H SER 9 HN SER 9 7.049 -16.371 1.724 65 HA SER 9 HA SER 9 9.673 -16.481 0.389 66 1HB SER 9 HB2 SER 9 9.348 -19.007 0.728 67 2HB SER 9 HB1 SER 9 9.691 -18.038 2.161 68 HG SER 9 HG SER 9 7.574 -19.594 1.669 69 H GLN 10 HN GLN 10 6.433 -16.270 -0.218 70 HA GLN 10 HA GLN 10 6.717 -17.501 -2.856 71 1HB GLN 10 HB2 GLN 10 4.422 -17.858 -0.932 72 2HB GLN 10 HB1 GLN 10 4.311 -18.242 -2.647 73 1HG GLN 10 HG2 GLN 10 6.109 -19.862 -2.407 74 2HG GLN 10 HG1 GLN 10 6.242 -19.464 -0.696 75 1HE2 GLN 10 HE21 GLN 10 3.182 -19.652 -2.374 76 2HE2 GLN 10 HE22 GLN 10 2.632 -21.106 -1.603 77 H ASP 11 HN ASP 11 7.177 -14.955 -2.680 78 HA ASP 11 HA ASP 11 6.685 -13.072 -3.851 79 1HB ASP 11 HB2 ASP 11 5.500 -14.312 -5.526 80 2HB ASP 11 HB1 ASP 11 4.127 -14.570 -4.463 81 H VAL 12 HN VAL 12 5.776 -11.081 -3.488 82 HA VAL 12 HA VAL 12 3.441 -10.849 -1.822 83 HB VAL 12 HB VAL 12 5.244 -10.939 -0.148 84 1HG1 VAL 12 HG11 VAL 12 6.861 -9.112 0.021 85 2HG1 VAL 12 HG12 VAL 12 6.260 -8.439 -1.493 86 3HG1 VAL 12 HG13 VAL 12 7.059 -10.012 -1.484 87 1HG2 VAL 12 HG21 VAL 12 3.921 -8.245 -0.428 88 2HG2 VAL 12 HG22 VAL 12 4.626 -8.891 1.055 89 3HG2 VAL 12 HG23 VAL 12 3.227 -9.680 0.327 90 H HIS 13 HN HIS 13 2.230 -9.436 -2.828 91 HA HIS 13 HA HIS 13 3.491 -7.155 -4.175 92 1HB HIS 13 HB2 HIS 13 0.623 -8.126 -4.364 93 2HB HIS 13 HB1 HIS 13 1.339 -6.822 -5.306 94 HD1 HIS 13 HD1 HIS 13 0.068 -9.209 -6.738 95 HD2 HIS 13 HD2 HIS 13 4.100 -8.970 -5.751 96 HE1 HIS 13 HE1 HIS 13 1.242 -10.828 -8.265 97 HE2 HIS 13 HE2 HIS 13 3.618 -10.871 -7.421 98 H VAL 14 HN VAL 14 3.598 -5.347 -3.035 99 HA VAL 14 HA VAL 14 1.925 -5.155 -0.633 100 HB VAL 14 HB VAL 14 4.476 -3.680 -1.315 101 1HG1 VAL 14 HG11 VAL 14 4.466 -2.980 1.026 102 2HG1 VAL 14 HG12 VAL 14 2.907 -3.774 1.258 103 3HG1 VAL 14 HG13 VAL 14 3.039 -2.392 0.170 104 1HG2 VAL 14 HG21 VAL 14 4.861 -6.064 -0.962 105 2HG2 VAL 14 HG22 VAL 14 4.006 -5.983 0.579 106 3HG2 VAL 14 HG23 VAL 14 5.526 -5.112 0.366 107 H VAL 15 HN VAL 15 0.389 -3.724 -0.494 108 HA VAL 15 HA VAL 15 -0.204 -1.943 -2.637 109 HB VAL 15 HB VAL 15 -2.005 -3.054 -1.421 110 1HG1 VAL 15 HG11 VAL 15 -2.588 -2.416 0.869 111 2HG1 VAL 15 HG12 VAL 15 -1.119 -1.444 0.961 112 3HG1 VAL 15 HG13 VAL 15 -1.006 -3.194 0.777 113 1HG2 VAL 15 HG21 VAL 15 -2.015 -0.063 -1.066 114 2HG2 VAL 15 HG22 VAL 15 -3.441 -1.098 -0.986 115 3HG2 VAL 15 HG23 VAL 15 -2.536 -0.955 -2.494 116 H LEU 16 HN LEU 16 0.452 0.003 -2.942 117 HA LEU 16 HA LEU 16 0.865 1.700 -0.600 118 1HB LEU 16 HB2 LEU 16 3.065 0.942 -1.571 119 2HB LEU 16 HB1 LEU 16 2.633 1.795 -3.045 120 HG LEU 16 HG LEU 16 2.500 3.317 -0.524 121 1HD1 LEU 16 HD11 LEU 16 5.115 2.612 -1.847 122 2HD1 LEU 16 HD12 LEU 16 4.596 2.131 -0.230 123 3HD1 LEU 16 HD13 LEU 16 4.896 3.831 -0.592 124 1HD2 LEU 16 HD21 LEU 16 1.906 4.341 -2.665 125 2HD2 LEU 16 HD22 LEU 16 3.519 3.987 -3.283 126 3HD2 LEU 16 HD23 LEU 16 3.314 5.124 -1.950 127 H LYS 17 HN LYS 17 -0.560 3.262 -0.697 128 HA LYS 17 HA LYS 17 -1.577 4.067 -3.330 129 1HB LYS 17 HB2 LYS 17 -2.885 4.502 -0.629 130 2HB LYS 17 HB1 LYS 17 -3.589 4.818 -2.206 131 1HG LYS 17 HG2 LYS 17 -3.668 2.468 -2.707 132 2HG LYS 17 HG1 LYS 17 -2.779 2.082 -1.233 133 1HD LYS 17 HD2 LYS 17 -4.621 2.978 0.104 134 2HD LYS 17 HD1 LYS 17 -5.500 3.366 -1.369 135 1HE LYS 17 HE2 LYS 17 -4.624 0.582 -0.624 136 2HE LYS 17 HE1 LYS 17 -6.201 1.240 -0.204 137 1HZ LYS 17 HZ1 LYS 17 -6.406 -0.056 -2.185 138 2HZ LYS 17 HZ2 LYS 17 -5.126 0.754 -2.937 139 3HZ LYS 17 HZ3 LYS 17 -6.576 1.568 -2.624 140 H LEU 18 HN LEU 18 -1.652 6.202 -3.908 141 HA LEU 18 HA LEU 18 0.215 7.947 -2.465 142 1HB LEU 18 HB2 LEU 18 1.034 7.949 -4.579 143 2HB LEU 18 HB1 LEU 18 -0.472 7.375 -5.264 144 HG LEU 18 HG LEU 18 -1.317 9.753 -5.144 145 1HD1 LEU 18 HD11 LEU 18 1.596 10.364 -4.682 146 2HD1 LEU 18 HD12 LEU 18 0.286 10.657 -3.538 147 3HD1 LEU 18 HD13 LEU 18 0.336 11.535 -5.068 148 1HD2 LEU 18 HD21 LEU 18 1.084 9.159 -6.859 149 2HD2 LEU 18 HD22 LEU 18 -0.119 10.409 -7.170 150 3HD2 LEU 18 HD23 LEU 18 -0.585 8.708 -7.206 151 H TRP 19 HN TRP 19 -0.517 9.688 -1.432 152 HA TRP 19 HA TRP 19 -3.298 10.532 -1.933 153 1HB TRP 19 HB2 TRP 19 -1.860 10.938 0.677 154 2HB TRP 19 HB1 TRP 19 -3.590 10.970 0.363 155 HD1 TRP 19 HD1 TRP 19 -0.864 8.786 1.551 156 HE1 TRP 19 HE1 TRP 19 -1.780 6.447 2.076 157 HE3 TRP 19 HE3 TRP 19 -5.374 9.117 -0.838 158 HZ2 TRP 19 HZ2 TRP 19 -4.079 4.942 1.566 159 HZ3 TRP 19 HZ3 TRP 19 -6.842 7.150 -0.808 160 HH2 TRP 19 HH2 TRP 19 -6.208 5.105 0.351 161 H LYS 20 HN LYS 20 -3.461 12.859 -0.658 162 HA LYS 20 HA LYS 20 -1.844 14.591 -2.244 163 1HB LYS 20 HB2 LYS 20 -3.104 16.420 -1.120 164 2HB LYS 20 HB1 LYS 20 -4.130 15.211 -1.863 165 1HG LYS 20 HG2 LYS 20 -5.191 15.689 0.156 166 2HG LYS 20 HG1 LYS 20 -4.326 14.189 0.488 167 1HD LYS 20 HD2 LYS 20 -2.837 15.204 1.900 168 2HD LYS 20 HD1 LYS 20 -2.919 16.747 1.056 169 1HE LYS 20 HE2 LYS 20 -3.910 17.063 3.188 170 2HE LYS 20 HE1 LYS 20 -5.217 17.048 2.009 171 1HZ LYS 20 HZ1 LYS 20 -4.433 14.729 3.696 172 2HZ LYS 20 HZ2 LYS 20 -5.765 14.806 2.641 173 3HZ LYS 20 HZ3 LYS 20 -5.720 15.779 4.028 174 H SER 21 HN SER 21 -1.654 13.406 0.986 175 HA SER 21 HA SER 21 0.337 15.434 1.676 176 1HB SER 21 HB2 SER 21 0.035 14.201 3.983 177 2HB SER 21 HB1 SER 21 -1.181 15.351 3.420 178 HG SER 21 HG SER 21 -2.265 13.520 4.037 179 H GLY 22 HN GLY 22 -0.136 11.922 1.582 180 1HA GLY 22 HA2 GLY 22 2.673 11.552 1.066 181 2HA GLY 22 HA1 GLY 22 2.157 10.972 2.642 182 H PHE 23 HN PHE 23 2.530 8.836 2.229 183 HA PHE 23 HA PHE 23 0.663 7.576 0.342 184 1HB PHE 23 HB2 PHE 23 2.416 5.969 -0.315 185 2HB PHE 23 HB1 PHE 23 2.854 7.617 -0.750 186 HD1 PHE 23 HD1 PHE 23 4.738 8.688 0.228 187 HD2 PHE 23 HD2 PHE 23 3.539 4.831 1.579 188 HE1 PHE 23 HE1 PHE 23 6.852 8.461 1.451 189 HE2 PHE 23 HE2 PHE 23 5.652 4.605 2.803 190 HZ PHE 23 HZ PHE 23 7.316 6.418 2.738 191 H SER 24 HN SER 24 -0.040 5.517 0.938 192 HA SER 24 HA SER 24 0.831 4.592 3.605 193 1HB SER 24 HB2 SER 24 -1.440 3.730 3.952 194 2HB SER 24 HB1 SER 24 -1.481 5.471 3.667 195 HG SER 24 HG SER 24 -1.639 3.987 1.376 196 H LEU 25 HN LEU 25 0.679 2.342 3.938 197 HA LEU 25 HA LEU 25 0.928 0.717 1.587 198 1HB LEU 25 HB2 LEU 25 3.299 0.097 2.158 199 2HB LEU 25 HB1 LEU 25 3.063 1.669 1.436 200 HG LEU 25 HG LEU 25 3.685 1.111 4.344 201 1HD1 LEU 25 HD11 LEU 25 5.835 1.984 3.862 202 2HD1 LEU 25 HD12 LEU 25 5.322 2.517 2.261 203 3HD1 LEU 25 HD13 LEU 25 5.475 0.798 2.605 204 1HD2 LEU 25 HD21 LEU 25 2.340 3.118 4.267 205 2HD2 LEU 25 HD22 LEU 25 3.308 3.752 2.938 206 3HD2 LEU 25 HD23 LEU 25 4.027 3.555 4.537 207 H ASP 26 HN ASP 26 1.752 -1.593 2.382 208 HA ASP 26 HA ASP 26 -0.116 -2.409 4.325 209 1HB ASP 26 HB2 ASP 26 0.845 -3.905 2.566 210 2HB ASP 26 HB1 ASP 26 2.357 -3.935 3.470 211 H ASN 27 HN ASN 27 3.037 -1.168 4.560 212 HA ASN 27 HA ASN 27 3.749 -2.338 7.089 213 1HB ASN 27 HB2 ASN 27 5.141 0.002 5.815 214 2HB ASN 27 HB1 ASN 27 5.828 -1.286 6.799 215 1HD2 ASN 27 HD21 ASN 27 4.690 -0.375 3.640 216 2HD2 ASN 27 HD22 ASN 27 5.368 -1.736 2.803 217 H GLY 28 HN GLY 28 1.961 0.404 6.106 218 1HA GLY 28 HA2 GLY 28 1.436 1.292 8.721 219 2HA GLY 28 HA1 GLY 28 2.711 2.293 8.042 220 H GLU 29 HN GLU 29 0.345 3.417 8.791 221 HA GLU 29 HA GLU 29 -1.476 3.571 6.587 222 1HB GLU 29 HB2 GLU 29 -1.258 5.221 9.105 223 2HB GLU 29 HB1 GLU 29 -2.545 5.398 7.920 224 1HG GLU 29 HG2 GLU 29 -3.113 3.000 8.283 225 2HG GLU 29 HG1 GLU 29 -1.937 2.975 9.593 226 H LEU 30 HN LEU 30 -2.044 6.351 6.584 227 HA LEU 30 HA LEU 30 -0.429 7.075 4.397 228 1HB LEU 30 HB2 LEU 30 -2.795 7.702 4.754 229 2HB LEU 30 HB1 LEU 30 -2.317 8.769 6.044 230 HG LEU 30 HG LEU 30 -1.593 9.101 3.143 231 1HD1 LEU 30 HD11 LEU 30 -3.678 10.406 4.834 232 2HD1 LEU 30 HD12 LEU 30 -3.886 9.507 3.325 233 3HD1 LEU 30 HD13 LEU 30 -3.101 11.084 3.312 234 1HD2 LEU 30 HD21 LEU 30 -1.219 10.996 5.422 235 2HD2 LEU 30 HD22 LEU 30 -0.843 11.302 3.727 236 3HD2 LEU 30 HD23 LEU 30 0.065 10.087 4.626 237 H ARG 31 HN ARG 31 1.609 7.589 4.544 238 HA ARG 31 HA ARG 31 2.546 9.323 6.733 239 1HB ARG 31 HB2 ARG 31 3.869 7.186 5.098 240 2HB ARG 31 HB1 ARG 31 4.838 8.434 5.860 241 1HG ARG 31 HG2 ARG 31 3.855 7.783 8.045 242 2HG ARG 31 HG1 ARG 31 3.038 6.450 7.223 243 1HD ARG 31 HD2 ARG 31 5.091 5.428 6.642 244 2HD ARG 31 HD1 ARG 31 6.023 6.860 7.097 245 HE ARG 31 HE ARG 31 4.528 5.296 9.112 246 1HH1 ARG 31 HH11 ARG 31 7.499 6.727 7.912 247 2HH1 ARG 31 HH12 ARG 31 8.409 6.332 9.345 248 1HH2 ARG 31 HH21 ARG 31 5.743 4.785 10.998 249 2HH2 ARG 31 HH22 ARG 31 7.419 5.244 11.080 250 H SER 32 HN SER 32 2.875 11.360 6.176 251 HA SER 32 HA SER 32 2.613 12.418 3.624 252 1HB SER 32 HB2 SER 32 2.258 13.799 5.541 253 2HB SER 32 HB1 SER 32 3.906 13.537 6.115 254 HG SER 32 HG SER 32 3.016 15.469 4.541 255 H TYR 33 HN TYR 33 4.002 13.303 2.134 256 HA TYR 33 HA TYR 33 6.408 11.839 1.661 257 1HB TYR 33 HB2 TYR 33 5.228 14.231 0.229 258 2HB TYR 33 HB1 TYR 33 6.605 13.302 -0.348 259 HD1 TYR 33 HD1 TYR 33 3.256 13.788 -0.887 260 HD2 TYR 33 HD2 TYR 33 6.025 10.623 -0.253 261 HE1 TYR 33 HE1 TYR 33 1.721 12.233 -2.034 262 HE2 TYR 33 HE2 TYR 33 4.514 9.060 -1.390 263 HH TYR 33 HH TYR 33 2.114 8.872 -1.868 264 H GLN 34 HN GLN 34 5.757 14.568 3.486 265 HA GLN 34 HA GLN 34 8.161 16.049 2.971 266 1HB GLN 34 HB2 GLN 34 6.354 16.237 5.379 267 2HB GLN 34 HB1 GLN 34 7.434 17.479 4.759 268 1HG GLN 34 HG2 GLN 34 5.027 16.433 3.280 269 2HG GLN 34 HG1 GLN 34 5.023 17.871 4.295 270 1HE2 GLN 34 HE21 GLN 34 4.424 19.162 2.561 271 2HE2 GLN 34 HE22 GLN 34 5.547 19.604 1.320 272 H ASP 35 HN ASP 35 7.183 13.506 5.086 273 HA ASP 35 HA ASP 35 9.160 13.842 7.101 274 1HB ASP 35 HB2 ASP 35 7.031 12.638 7.453 275 2HB ASP 35 HB1 ASP 35 7.573 11.379 6.356 276 HA PRO 36 HA PRO 36 12.603 12.239 4.858 277 1HB PRO 36 HB2 PRO 36 14.379 12.118 6.871 278 2HB PRO 36 HB1 PRO 36 13.816 13.656 6.202 279 1HG PRO 36 HG2 PRO 36 12.916 12.219 8.673 280 2HG PRO 36 HG1 PRO 36 13.278 13.940 8.454 281 1HD PRO 36 HD2 PRO 36 10.752 12.950 8.441 282 2HD PRO 36 HD1 PRO 36 11.231 14.378 7.502 283 H SER 37 HN SER 37 11.007 10.420 7.323 284 HA SER 37 HA SER 37 12.794 8.132 7.084 285 1HB SER 37 HB2 SER 37 10.050 8.207 8.357 286 2HB SER 37 HB1 SER 37 11.353 7.059 8.671 287 HG SER 37 HG SER 37 10.873 9.487 9.791 288 H ASN 38 HN ASN 38 9.856 9.397 5.836 289 HA ASN 38 HA ASN 38 9.072 7.009 4.426 290 1HB ASN 38 HB2 ASN 38 8.092 9.845 4.031 291 2HB ASN 38 HB1 ASN 38 7.276 8.360 3.543 292 1HD2 ASN 38 HD21 ASN 38 6.289 10.460 5.239 293 2HD2 ASN 38 HD22 ASN 38 5.964 9.746 6.782 294 H ALA 39 HN ALA 39 11.054 9.772 3.896 295 HA ALA 39 HA ALA 39 11.338 9.751 1.126 296 1HB ALA 39 HB1 ALA 39 13.521 10.231 3.151 297 2HB ALA 39 HB2 ALA 39 12.345 11.434 2.624 298 3HB ALA 39 HB3 ALA 39 13.505 10.772 1.472 299 H GLN 40 HN GLN 40 12.601 7.574 3.560 300 HA GLN 40 HA GLN 40 14.481 6.127 2.130 301 1HB GLN 40 HB2 GLN 40 14.186 5.679 4.453 302 2HB GLN 40 HB1 GLN 40 12.494 5.287 4.233 303 1HG GLN 40 HG2 GLN 40 14.480 3.612 2.813 304 2HG GLN 40 HG1 GLN 40 14.384 3.441 4.559 305 1HE2 GLN 40 HE21 GLN 40 11.554 3.823 4.805 306 2HE2 GLN 40 HE22 GLN 40 10.776 2.458 4.092 307 H PHE 41 HN PHE 41 10.994 5.490 2.375 308 HA PHE 41 HA PHE 41 10.849 3.453 0.448 309 1HB PHE 41 HB2 PHE 41 8.756 5.533 1.138 310 2HB PHE 41 HB1 PHE 41 8.464 4.027 0.276 311 HD1 PHE 41 HD1 PHE 41 8.613 5.626 3.451 312 HD2 PHE 41 HD2 PHE 41 8.960 1.850 1.510 313 HE1 PHE 41 HE1 PHE 41 8.162 4.497 5.586 314 HE2 PHE 41 HE2 PHE 41 8.506 0.717 3.642 315 HZ PHE 41 HZ PHE 41 8.107 2.039 5.683 316 H LEU 42 HN LEU 42 10.087 6.907 0.122 317 HA LEU 42 HA LEU 42 9.397 7.009 -2.505 318 1HB LEU 42 HB2 LEU 42 10.991 9.045 -0.951 319 2HB LEU 42 HB1 LEU 42 10.199 9.355 -2.474 320 HG LEU 42 HG LEU 42 8.807 8.583 0.056 321 1HD1 LEU 42 HD11 LEU 42 8.946 11.230 -1.367 322 2HD1 LEU 42 HD12 LEU 42 9.725 10.836 0.165 323 3HD1 LEU 42 HD13 LEU 42 7.966 10.871 0.055 324 1HD2 LEU 42 HD21 LEU 42 7.637 7.764 -1.896 325 2HD2 LEU 42 HD22 LEU 42 7.725 9.359 -2.640 326 3HD2 LEU 42 HD23 LEU 42 6.762 9.117 -1.183 327 H GLU 43 HN GLU 43 12.718 7.486 -1.286 328 HA GLU 43 HA GLU 43 13.806 7.814 -3.880 329 1HB GLU 43 HB2 GLU 43 15.142 7.188 -1.249 330 2HB GLU 43 HB1 GLU 43 16.001 7.597 -2.730 331 1HG GLU 43 HG2 GLU 43 13.937 9.391 -1.495 332 2HG GLU 43 HG1 GLU 43 15.648 9.470 -1.080 333 H SER 44 HN SER 44 13.854 5.036 -1.621 334 HA SER 44 HA SER 44 15.378 3.330 -3.264 335 1HB SER 44 HB2 SER 44 14.586 3.068 -0.770 336 2HB SER 44 HB1 SER 44 13.203 2.249 -1.494 337 HG SER 44 HG SER 44 15.770 1.505 -2.332 338 H ILE 45 HN ILE 45 11.909 3.936 -3.090 339 HA ILE 45 HA ILE 45 11.167 1.918 -4.943 340 HB ILE 45 HB ILE 45 9.697 4.441 -4.139 341 1HG1 ILE 45 HG12 ILE 45 9.432 1.583 -3.173 342 2HG1 ILE 45 HG11 ILE 45 10.173 2.900 -2.267 343 1HG2 ILE 45 HG21 ILE 45 7.689 3.342 -4.974 344 2HG2 ILE 45 HG22 ILE 45 8.658 1.980 -5.532 345 3HG2 ILE 45 HG23 ILE 45 8.867 3.571 -6.266 346 1HD1 ILE 45 HD11 ILE 45 7.283 2.767 -3.102 347 2HD1 ILE 45 HD12 ILE 45 8.037 4.037 -2.138 348 3HD1 ILE 45 HD13 ILE 45 7.915 2.397 -1.497 349 H ARG 46 HN ARG 46 11.929 5.367 -5.261 350 HA ARG 46 HA ARG 46 11.452 5.623 -8.026 351 1HB ARG 46 HB2 ARG 46 13.355 7.090 -6.197 352 2HB ARG 46 HB1 ARG 46 13.082 7.544 -7.872 353 1HG ARG 46 HG2 ARG 46 10.843 8.144 -7.447 354 2HG ARG 46 HG1 ARG 46 10.864 7.374 -5.857 355 1HD ARG 46 HD2 ARG 46 12.524 9.020 -5.100 356 2HD ARG 46 HD1 ARG 46 12.462 9.798 -6.682 357 HE ARG 46 HE ARG 46 9.883 9.861 -5.897 358 1HH1 ARG 46 HH11 ARG 46 12.850 10.754 -4.251 359 2HH1 ARG 46 HH12 ARG 46 12.106 12.061 -3.368 360 1HH2 ARG 46 HH21 ARG 46 8.908 11.569 -4.755 361 2HH2 ARG 46 HH22 ARG 46 9.863 12.540 -3.671 362 H ARG 47 HN ARG 47 14.360 4.680 -6.227 363 HA ARG 47 HA ARG 47 16.115 4.509 -8.427 364 1HB ARG 47 HB2 ARG 47 16.228 2.846 -5.924 365 2HB ARG 47 HB1 ARG 47 17.558 3.188 -7.009 366 1HG ARG 47 HG2 ARG 47 16.138 5.153 -5.232 367 2HG ARG 47 HG1 ARG 47 17.760 4.497 -5.003 368 1HD ARG 47 HD2 ARG 47 18.456 5.562 -7.108 369 2HD ARG 47 HD1 ARG 47 16.837 6.247 -7.276 370 HE ARG 47 HE ARG 47 18.331 6.850 -4.844 371 1HH1 ARG 47 HH11 ARG 47 17.156 7.921 -7.965 372 2HH1 ARG 47 HH12 ARG 47 17.344 9.610 -7.592 373 1HH2 ARG 47 HH21 ARG 47 18.578 9.057 -4.353 374 2HH2 ARG 47 HH22 ARG 47 18.143 10.256 -5.527 375 H GLY 48 HN GLY 48 13.498 2.537 -7.536 376 1HA GLY 48 HA2 GLY 48 12.672 0.690 -8.718 377 2HA GLY 48 HA1 GLY 48 14.220 0.557 -9.545 378 H GLU 49 HN GLU 49 14.491 0.981 -6.201 379 HA GLU 49 HA GLU 49 15.484 -1.725 -5.876 380 1HB GLU 49 HB2 GLU 49 15.304 0.522 -3.866 381 2HB GLU 49 HB1 GLU 49 16.219 -0.969 -3.689 382 1HG GLU 49 HG2 GLU 49 17.730 -0.299 -5.434 383 2HG GLU 49 HG1 GLU 49 16.753 1.131 -5.773 384 H VAL 50 HN VAL 50 14.888 -2.830 -3.780 385 HA VAL 50 HA VAL 50 12.027 -2.598 -3.278 386 HB VAL 50 HB VAL 50 12.858 -4.836 -3.704 387 1HG1 VAL 50 HG11 VAL 50 15.149 -4.619 -2.941 388 2HG1 VAL 50 HG12 VAL 50 14.362 -5.984 -2.149 389 3HG1 VAL 50 HG13 VAL 50 14.594 -4.471 -1.273 390 1HG2 VAL 50 HG21 VAL 50 11.949 -5.952 -1.712 391 2HG2 VAL 50 HG22 VAL 50 10.959 -4.584 -2.222 392 3HG2 VAL 50 HG23 VAL 50 12.039 -4.425 -0.837 393 HA PRO 51 HA PRO 51 13.026 -0.063 0.290 394 1HB PRO 51 HB2 PRO 51 10.158 -0.510 0.857 395 2HB PRO 51 HB1 PRO 51 11.049 1.006 0.690 396 1HG PRO 51 HG2 PRO 51 9.358 0.167 -1.184 397 2HG PRO 51 HG1 PRO 51 10.852 1.029 -1.588 398 1HD PRO 51 HD2 PRO 51 10.228 -1.890 -1.776 399 2HD PRO 51 HD1 PRO 51 11.176 -0.874 -2.881 400 H ALA 52 HN ALA 52 13.609 -0.630 2.298 401 HA ALA 52 HA ALA 52 14.066 -3.225 2.948 402 1HB ALA 52 HB1 ALA 52 15.166 -1.343 4.031 403 2HB ALA 52 HB2 ALA 52 14.529 -2.477 5.224 404 3HB ALA 52 HB3 ALA 52 13.679 -0.965 4.902 405 H GLU 53 HN GLU 53 11.326 -1.291 4.044 406 HA GLU 53 HA GLU 53 10.265 -2.995 5.937 407 1HB GLU 53 HB2 GLU 53 8.732 -1.162 4.095 408 2HB GLU 53 HB1 GLU 53 8.173 -1.770 5.647 409 1HG GLU 53 HG2 GLU 53 10.341 0.217 5.074 410 2HG GLU 53 HG1 GLU 53 8.888 0.411 6.054 411 H LEU 54 HN LEU 54 9.900 -3.143 2.442 412 HA LEU 54 HA LEU 54 7.661 -4.975 2.599 413 1HB LEU 54 HB2 LEU 54 9.219 -4.592 0.077 414 2HB LEU 54 HB1 LEU 54 7.495 -4.807 0.302 415 HG LEU 54 HG LEU 54 9.032 -2.287 0.872 416 1HD1 LEU 54 HD11 LEU 54 7.901 -1.410 -1.071 417 2HD1 LEU 54 HD12 LEU 54 7.009 -2.917 -1.278 418 3HD1 LEU 54 HD13 LEU 54 8.755 -2.887 -1.524 419 1HD2 LEU 54 HD21 LEU 54 7.175 -2.487 2.383 420 2HD2 LEU 54 HD22 LEU 54 6.110 -2.973 1.065 421 3HD2 LEU 54 HD23 LEU 54 6.750 -1.327 1.121 422 H ARG 55 HN ARG 55 11.086 -4.994 2.025 423 HA ARG 55 HA ARG 55 11.248 -7.829 1.556 424 1HB ARG 55 HB2 ARG 55 12.849 -6.072 0.684 425 2HB ARG 55 HB1 ARG 55 13.474 -5.943 2.320 426 1HG ARG 55 HG2 ARG 55 13.408 -8.601 0.922 427 2HG ARG 55 HG1 ARG 55 14.711 -7.429 0.626 428 1HD ARG 55 HD2 ARG 55 15.204 -7.344 2.998 429 2HD ARG 55 HD1 ARG 55 13.859 -8.441 3.316 430 HE ARG 55 HE ARG 55 15.149 -10.216 2.516 431 1HH1 ARG 55 HH11 ARG 55 16.814 -7.166 2.103 432 2HH1 ARG 55 HH12 ARG 55 18.384 -7.891 1.912 433 1HH2 ARG 55 HH21 ARG 55 17.215 -11.191 2.266 434 2HH2 ARG 55 HH22 ARG 55 18.604 -10.183 2.006 435 H ARG 56 HN ARG 56 11.017 -5.797 4.324 436 HA ARG 56 HA ARG 56 11.740 -7.916 6.135 437 1HB ARG 56 HB2 ARG 56 10.317 -5.299 6.655 438 2HB ARG 56 HB1 ARG 56 10.853 -6.421 7.898 439 1HG ARG 56 HG2 ARG 56 12.572 -4.858 5.993 440 2HG ARG 56 HG1 ARG 56 12.423 -4.632 7.738 441 1HD ARG 56 HD2 ARG 56 13.577 -7.040 6.332 442 2HD ARG 56 HD1 ARG 56 14.483 -5.806 7.204 443 HE ARG 56 HE ARG 56 12.671 -6.835 9.020 444 1HH1 ARG 56 HH11 ARG 56 15.301 -8.065 7.049 445 2HH1 ARG 56 HH12 ARG 56 15.719 -9.326 8.174 446 1HH2 ARG 56 HH21 ARG 56 13.218 -8.512 10.489 447 2HH2 ARG 56 HH22 ARG 56 14.544 -9.575 10.124 448 H LEU 57 HN LEU 57 9.262 -7.500 4.074 449 HA LEU 57 HA LEU 57 7.316 -8.875 5.788 450 1HB LEU 57 HB2 LEU 57 6.743 -6.822 4.287 451 2HB LEU 57 HB1 LEU 57 6.813 -7.963 2.962 452 HG LEU 57 HG LEU 57 4.510 -7.524 3.751 453 1HD1 LEU 57 HD11 LEU 57 5.448 -10.352 4.198 454 2HD1 LEU 57 HD12 LEU 57 4.996 -9.634 2.652 455 3HD1 LEU 57 HD13 LEU 57 3.782 -9.848 3.913 456 1HD2 LEU 57 HD21 LEU 57 5.458 -8.841 6.289 457 2HD2 LEU 57 HD22 LEU 57 3.785 -8.445 5.901 458 3HD2 LEU 57 HD23 LEU 57 4.971 -7.156 6.101 459 H ALA 58 HN ALA 58 8.590 -9.050 2.449 460 HA ALA 58 HA ALA 58 8.398 -11.969 2.595 461 1HB ALA 58 HB1 ALA 58 8.896 -11.973 0.206 462 2HB ALA 58 HB2 ALA 58 9.075 -10.217 0.232 463 3HB ALA 58 HB3 ALA 58 7.506 -10.951 0.567 464 H HIS 59 HN HIS 59 10.150 -13.272 2.626 465 HA HIS 59 HA HIS 59 12.481 -12.057 3.773 466 1HB HIS 59 HB2 HIS 59 11.190 -14.533 3.981 467 2HB HIS 59 HB1 HIS 59 12.766 -14.886 3.277 468 HD1 HIS 59 HD1 HIS 59 14.748 -14.846 4.811 469 HD2 HIS 59 HD2 HIS 59 11.338 -13.195 6.532 470 HE1 HIS 59 HE1 HIS 59 15.333 -14.436 7.226 471 HE2 HIS 59 HE2 HIS 59 13.313 -13.270 8.195 472 H GLY 60 HN GLY 60 12.938 -10.909 1.678 473 1HA GLY 60 HA2 GLY 60 14.359 -10.590 -0.095 474 2HA GLY 60 HA1 GLY 60 15.250 -11.991 0.491 475 H GLY 61 HN GLY 61 11.948 -11.707 -0.713 476 1HA GLY 61 HA2 GLY 61 12.591 -13.770 -2.711 477 2HA GLY 61 HA1 GLY 61 11.044 -13.607 -1.896 478 H GLN 62 HN GLN 62 9.967 -13.480 -3.920 479 HA GLN 62 HA GLN 62 10.363 -11.276 -5.653 480 1HB GLN 62 HB2 GLN 62 9.173 -13.365 -6.228 481 2HB GLN 62 HB1 GLN 62 7.896 -12.919 -5.116 482 1HG GLN 62 HG2 GLN 62 7.165 -11.144 -6.436 483 2HG GLN 62 HG1 GLN 62 8.663 -11.108 -7.370 484 1HE2 GLN 62 HE21 GLN 62 7.016 -14.083 -6.607 485 2HE2 GLN 62 HE22 GLN 62 6.461 -14.412 -8.208 486 H VAL 63 HN VAL 63 10.651 -9.629 -4.029 487 HA VAL 63 HA VAL 63 8.260 -8.835 -2.543 488 HB VAL 63 HB VAL 63 10.973 -7.513 -2.450 489 1HG1 VAL 63 HG11 VAL 63 8.635 -7.563 -0.554 490 2HG1 VAL 63 HG12 VAL 63 9.156 -6.206 -1.554 491 3HG1 VAL 63 HG13 VAL 63 10.184 -6.781 -0.239 492 1HG2 VAL 63 HG21 VAL 63 11.445 -8.860 -0.457 493 2HG2 VAL 63 HG22 VAL 63 11.283 -9.863 -1.897 494 3HG2 VAL 63 HG23 VAL 63 9.964 -9.776 -0.729 495 H ASN 64 HN ASN 64 6.900 -7.720 -3.867 496 HA ASN 64 HA ASN 64 8.051 -5.447 -5.334 497 1HB ASN 64 HB2 ASN 64 7.349 -7.431 -6.749 498 2HB ASN 64 HB1 ASN 64 5.696 -7.079 -6.270 499 1HD2 ASN 64 HD21 ASN 64 8.130 -4.604 -6.848 500 2HD2 ASN 64 HD22 ASN 64 7.385 -3.963 -8.280 501 H LEU 65 HN LEU 65 6.518 -3.700 -5.735 502 HA LEU 65 HA LEU 65 4.267 -3.635 -3.859 503 1HB LEU 65 HB2 LEU 65 4.930 -1.660 -2.895 504 2HB LEU 65 HB1 LEU 65 6.493 -2.352 -3.238 505 HG LEU 65 HG LEU 65 5.307 -0.643 -5.344 506 1HD1 LEU 65 HD11 LEU 65 6.151 1.387 -4.221 507 2HD1 LEU 65 HD12 LEU 65 6.451 0.438 -2.765 508 3HD1 LEU 65 HD13 LEU 65 4.802 0.654 -3.351 509 1HD2 LEU 65 HD21 LEU 65 7.668 0.024 -5.546 510 2HD2 LEU 65 HD22 LEU 65 7.454 -1.723 -5.652 511 3HD2 LEU 65 HD23 LEU 65 8.053 -1.000 -4.162 512 H ASP 66 HN ASP 66 2.572 -2.186 -4.492 513 HA ASP 66 HA ASP 66 2.780 -1.260 -7.276 514 1HB ASP 66 HB2 ASP 66 0.424 -2.577 -5.918 515 2HB ASP 66 HB1 ASP 66 0.271 -1.665 -7.415 516 H MET 67 HN MET 67 2.046 0.757 -7.709 517 HA MET 67 HA MET 67 1.339 2.326 -5.325 518 1HB MET 67 HB2 MET 67 2.733 3.167 -7.871 519 2HB MET 67 HB1 MET 67 2.247 4.275 -6.594 520 1HG MET 67 HG2 MET 67 3.713 3.153 -5.027 521 2HG MET 67 HG1 MET 67 4.164 1.981 -6.263 522 1HE MET 67 HE1 MET 67 4.404 5.737 -5.104 523 2HE MET 67 HE2 MET 67 3.585 5.843 -6.662 524 3HE MET 67 HE3 MET 67 5.224 6.468 -6.484 525 H GLU 68 HN GLU 68 -0.591 3.169 -5.221 526 HA GLU 68 HA GLU 68 -2.226 3.359 -7.659 527 1HB GLU 68 HB2 GLU 68 -3.008 3.418 -4.746 528 2HB GLU 68 HB1 GLU 68 -4.129 3.568 -6.088 529 1HG GLU 68 HG2 GLU 68 -3.643 1.319 -6.788 530 2HG GLU 68 HG1 GLU 68 -2.404 1.175 -5.536 531 H ASP 69 HN ASP 69 -3.355 5.271 -8.114 532 HA ASP 69 HA ASP 69 -2.235 7.658 -6.786 533 1HB ASP 69 HB2 ASP 69 -1.875 7.496 -9.230 534 2HB ASP 69 HB1 ASP 69 -3.614 7.381 -9.477 535 H HIS 70 HN HIS 70 -3.541 8.615 -5.347 536 HA HIS 70 HA HIS 70 -6.434 8.639 -5.890 537 1HB HIS 70 HB2 HIS 70 -5.135 8.177 -3.194 538 2HB HIS 70 HB1 HIS 70 -6.848 8.497 -3.427 539 HD1 HIS 70 HD1 HIS 70 -8.323 6.564 -4.260 540 HD2 HIS 70 HD2 HIS 70 -4.276 5.602 -3.984 541 HE1 HIS 70 HE1 HIS 70 -8.197 4.064 -4.455 542 HE2 HIS 70 HE2 HIS 70 -5.741 3.514 -4.479 543 H ARG 71 HN ARG 71 -3.954 10.032 -3.782 544 HA ARG 71 HA ARG 71 -3.431 12.127 -3.163 545 1HB ARG 71 HB2 ARG 71 -4.465 12.678 -5.932 546 2HB ARG 71 HB1 ARG 71 -3.633 13.872 -4.940 547 1HG ARG 71 HG2 ARG 71 -1.614 12.867 -5.164 548 2HG ARG 71 HG1 ARG 71 -2.312 11.252 -5.303 549 1HD ARG 71 HD2 ARG 71 -1.317 11.906 -7.398 550 2HD ARG 71 HD1 ARG 71 -3.065 11.789 -7.570 551 HE ARG 71 HE ARG 71 -2.454 14.447 -6.991 552 1HH1 ARG 71 HH11 ARG 71 -1.972 12.078 -9.518 553 2HH1 ARG 71 HH12 ARG 71 -1.783 13.258 -10.782 554 1HH2 ARG 71 HH21 ARG 71 -2.238 16.026 -8.650 555 2HH2 ARG 71 HH22 ARG 71 -1.949 15.513 -10.289 556 H ASP 72 HN ASP 72 -6.047 13.484 -5.071 557 HA ASP 72 HA ASP 72 -6.961 14.926 -2.767 558 1HB ASP 72 HB2 ASP 72 -7.745 14.871 -5.650 559 2HB ASP 72 HB1 ASP 72 -8.791 15.648 -4.465 560 H GLU 73 HN GLU 73 -7.612 11.879 -3.937 561 HA GLU 73 HA GLU 73 -10.268 11.534 -3.009 562 1HB GLU 73 HB2 GLU 73 -8.004 9.829 -3.782 563 2HB GLU 73 HB1 GLU 73 -9.058 9.111 -2.574 564 1HG GLU 73 HG2 GLU 73 -10.966 9.377 -4.041 565 2HG GLU 73 HG1 GLU 73 -9.970 10.229 -5.221 566 H ASP 74 HN ASP 74 -7.214 11.841 -1.522 567 HA ASP 74 HA ASP 74 -6.454 11.964 0.586 568 1HB ASP 74 HB2 ASP 74 -8.891 13.150 0.748 569 2HB ASP 74 HB1 ASP 74 -9.071 11.857 1.935 570 H PHE 75 HN PHE 75 -7.003 10.850 2.950 571 HA PHE 75 HA PHE 75 -5.974 8.287 2.421 572 1HB PHE 75 HB2 PHE 75 -5.264 9.452 4.361 573 2HB PHE 75 HB1 PHE 75 -6.912 9.583 4.963 574 HD1 PHE 75 HD1 PHE 75 -7.605 8.131 6.588 575 HD2 PHE 75 HD2 PHE 75 -4.397 6.954 4.041 576 HE1 PHE 75 HE1 PHE 75 -7.268 6.110 7.945 577 HE2 PHE 75 HE2 PHE 75 -4.049 4.952 5.408 578 HZ PHE 75 HZ PHE 75 -5.488 4.517 7.358 579 H VAL 76 HN VAL 76 -7.025 6.681 1.655 580 HA VAL 76 HA VAL 76 -9.293 5.595 3.140 581 HB VAL 76 HB VAL 76 -10.219 4.754 0.930 582 1HG1 VAL 76 HG11 VAL 76 -11.329 6.493 2.239 583 2HG1 VAL 76 HG12 VAL 76 -11.510 6.786 0.509 584 3HG1 VAL 76 HG13 VAL 76 -10.344 7.722 1.444 585 1HG2 VAL 76 HG21 VAL 76 -8.506 6.975 -0.160 586 2HG2 VAL 76 HG22 VAL 76 -9.731 6.081 -1.064 587 3HG2 VAL 76 HG23 VAL 76 -8.297 5.247 -0.455 588 H LYS 77 HN LYS 77 -7.557 4.279 4.020 589 HA LYS 77 HA LYS 77 -5.949 2.719 2.226 590 1HB LYS 77 HB2 LYS 77 -5.964 3.336 5.052 591 2HB LYS 77 HB1 LYS 77 -5.702 1.624 4.765 592 1HG LYS 77 HG2 LYS 77 -3.929 2.325 3.093 593 2HG LYS 77 HG1 LYS 77 -4.061 3.933 3.796 594 1HD LYS 77 HD2 LYS 77 -2.266 2.901 4.927 595 2HD LYS 77 HD1 LYS 77 -3.628 2.803 6.046 596 1HE LYS 77 HE2 LYS 77 -4.010 0.520 5.508 597 2HE LYS 77 HE1 LYS 77 -2.900 0.596 4.141 598 1HZ LYS 77 HZ1 LYS 77 -1.997 -0.533 6.133 599 2HZ LYS 77 HZ2 LYS 77 -2.063 0.934 6.977 600 3HZ LYS 77 HZ3 LYS 77 -1.058 0.779 5.621 601 HA PRO 78 HA PRO 78 -8.157 -1.069 1.850 602 1HB PRO 78 HB2 PRO 78 -5.867 -2.548 3.016 603 2HB PRO 78 HB1 PRO 78 -6.598 -2.692 1.413 604 1HG PRO 78 HG2 PRO 78 -4.223 -1.546 1.698 605 2HG PRO 78 HG1 PRO 78 -5.417 -0.864 0.573 606 1HD PRO 78 HD2 PRO 78 -4.725 0.018 3.353 607 2HD PRO 78 HD1 PRO 78 -4.938 1.015 1.894 608 H LYS 79 HN LYS 79 -6.970 -0.091 4.865 609 HA LYS 79 HA LYS 79 -8.180 -2.229 6.400 610 1HB LYS 79 HB2 LYS 79 -7.390 -0.843 8.355 611 2HB LYS 79 HB1 LYS 79 -6.122 -1.398 7.274 612 1HG LYS 79 HG2 LYS 79 -6.064 0.820 6.212 613 2HG LYS 79 HG1 LYS 79 -7.324 1.366 7.323 614 1HD LYS 79 HD2 LYS 79 -4.634 0.304 8.182 615 2HD LYS 79 HD1 LYS 79 -5.023 2.016 8.016 616 1HE LYS 79 HE2 LYS 79 -6.558 0.140 9.806 617 2HE LYS 79 HE1 LYS 79 -5.162 1.068 10.354 618 1HZ LYS 79 HZ1 LYS 79 -7.257 2.172 10.871 619 2HZ LYS 79 HZ2 LYS 79 -7.661 2.227 9.227 620 3HZ LYS 79 HZ3 LYS 79 -6.322 3.104 9.802 621 H GLY 80 HN GLY 80 -9.449 0.223 4.755 622 1HA GLY 80 HA2 GLY 80 -11.750 0.378 6.549 623 2HA GLY 80 HA1 GLY 80 -10.992 1.895 6.086 624 H ALA 81 HN ALA 81 -11.314 -0.925 4.006 625 HA ALA 81 HA ALA 81 -13.602 0.190 2.634 626 1HB ALA 81 HB1 ALA 81 -11.010 -0.114 1.123 627 2HB ALA 81 HB2 ALA 81 -11.696 1.421 1.650 628 3HB ALA 81 HB3 ALA 81 -12.558 0.427 0.475 629 H PHE 82 HN PHE 82 -11.137 -1.882 1.220 630 HA PHE 82 HA PHE 82 -12.148 -4.384 1.954 631 1HB PHE 82 HB2 PHE 82 -14.136 -3.653 0.642 632 2HB PHE 82 HB1 PHE 82 -13.103 -3.429 -0.763 633 HD1 PHE 82 HD1 PHE 82 -14.274 -6.001 1.642 634 HD2 PHE 82 HD2 PHE 82 -12.727 -5.186 -2.237 635 HE1 PHE 82 HE1 PHE 82 -14.656 -8.346 1.002 636 HE2 PHE 82 HE2 PHE 82 -13.106 -7.530 -2.887 637 HZ PHE 82 HZ PHE 82 -14.072 -9.114 -1.266 638 H LYS 83 HN LYS 83 -10.755 -5.986 1.219 639 HA LYS 83 HA LYS 83 -8.642 -6.690 0.742 640 1HB LYS 83 HB2 LYS 83 -9.821 -5.752 -1.829 641 2HB LYS 83 HB1 LYS 83 -8.201 -6.435 -1.807 642 1HG LYS 83 HG2 LYS 83 -10.693 -7.783 -0.820 643 2HG LYS 83 HG1 LYS 83 -9.901 -8.077 -2.382 644 1HD LYS 83 HD2 LYS 83 -7.854 -8.758 -1.148 645 2HD LYS 83 HD1 LYS 83 -8.741 -8.574 0.366 646 1HE LYS 83 HE2 LYS 83 -8.726 -10.892 -0.239 647 2HE LYS 83 HE1 LYS 83 -10.362 -10.270 -0.443 648 1HZ LYS 83 HZ1 LYS 83 -10.028 -10.144 -2.796 649 2HZ LYS 83 HZ2 LYS 83 -9.607 -11.704 -2.284 650 3HZ LYS 83 HZ3 LYS 83 -8.395 -10.568 -2.649 651 H ALA 84 HN ALA 84 -8.462 -4.327 -1.732 652 HA ALA 84 HA ALA 84 -6.918 -2.297 -0.773 653 1HB ALA 84 HB1 ALA 84 -5.188 -4.622 -1.653 654 2HB ALA 84 HB2 ALA 84 -5.259 -3.940 -0.029 655 3HB ALA 84 HB3 ALA 84 -4.618 -2.979 -1.361 656 H PHE 85 HN PHE 85 -7.344 -4.765 -3.173 657 HA PHE 85 HA PHE 85 -6.549 -3.232 -5.421 658 1HB PHE 85 HB2 PHE 85 -6.489 -5.731 -5.294 659 2HB PHE 85 HB1 PHE 85 -8.247 -5.725 -5.376 660 HD1 PHE 85 HD1 PHE 85 -5.218 -4.625 -7.223 661 HD2 PHE 85 HD2 PHE 85 -9.316 -5.752 -7.440 662 HE1 PHE 85 HE1 PHE 85 -5.089 -4.616 -9.678 663 HE2 PHE 85 HE2 PHE 85 -9.191 -5.744 -9.897 664 HZ PHE 85 HZ PHE 85 -7.076 -5.176 -11.020 665 H THR 86 HN THR 86 -7.771 -2.200 -6.935 666 HA THR 86 HA THR 86 -10.118 -0.899 -6.160 667 HB THR 86 HB THR 86 -9.161 -1.355 -8.992 668 HG1 THR 86 HG1 THR 86 -8.396 0.672 -7.121 669 1HG2 THR 86 HG21 THR 86 -10.742 0.897 -7.738 670 2HG2 THR 86 HG22 THR 86 -11.368 -0.326 -8.845 671 3HG2 THR 86 HG23 THR 86 -10.175 0.845 -9.406 672 H GLY 87 HN GLY 87 -11.928 -2.025 -5.695 673 1HA GLY 87 HA2 GLY 87 -12.825 -4.167 -7.472 674 2HA GLY 87 HA1 GLY 87 -13.533 -3.735 -5.920 675 H GLU 88 HN GLU 88 -13.348 -2.955 -9.308 676 HA GLU 88 HA GLU 88 -14.725 -1.871 -10.742 677 1HB GLU 88 HB2 GLU 88 -16.615 -2.919 -9.569 678 2HB GLU 88 HB1 GLU 88 -16.615 -1.611 -8.393 679 1HG GLU 88 HG2 GLU 88 -17.217 -0.022 -10.120 680 2HG GLU 88 HG1 GLU 88 -17.131 -1.290 -11.341 681 H GLY 89 HN GLY 89 -14.753 -0.308 -7.555 682 1HA GLY 89 HA2 GLY 89 -13.622 2.088 -8.834 683 2HA GLY 89 HA1 GLY 89 -14.996 2.247 -7.743 684 H GLN 90 HN GLN 90 -12.691 3.578 -7.125 685 HA GLN 90 HA GLN 90 -11.026 2.043 -5.375 686 1HB GLN 90 HB2 GLN 90 -11.365 5.044 -5.592 687 2HB GLN 90 HB1 GLN 90 -10.067 4.219 -4.739 688 1HG GLN 90 HG2 GLN 90 -10.575 3.892 -7.682 689 2HG GLN 90 HG1 GLN 90 -9.496 5.115 -7.014 690 1HE2 GLN 90 HE21 GLN 90 -7.725 4.233 -8.076 691 2HE2 GLN 90 HE22 GLN 90 -6.986 2.753 -7.555 692 H LYS 91 HN LYS 91 -12.777 4.964 -4.408 693 HA LYS 91 HA LYS 91 -14.603 3.510 -2.751 694 1HB LYS 91 HB2 LYS 91 -12.461 3.663 -1.366 695 2HB LYS 91 HB1 LYS 91 -12.740 5.399 -1.310 696 1HG LYS 91 HG2 LYS 91 -14.805 5.102 -0.139 697 2HG LYS 91 HG1 LYS 91 -14.730 3.352 -0.352 698 1HD LYS 91 HD2 LYS 91 -12.671 3.309 1.010 699 2HD LYS 91 HD1 LYS 91 -12.834 5.046 1.270 700 1HE LYS 91 HE2 LYS 91 -14.944 3.037 2.037 701 2HE LYS 91 HE1 LYS 91 -13.687 3.600 3.135 702 1HZ LYS 91 HZ1 LYS 91 -14.513 5.849 2.887 703 2HZ LYS 91 HZ2 LYS 91 -15.742 4.823 3.434 704 3HZ LYS 91 HZ3 LYS 91 -15.720 5.323 1.815 705 H LEU 92 HN LEU 92 -15.220 4.949 -4.815 706 HA LEU 92 HA LEU 92 -15.980 7.627 -3.898 707 1HB LEU 92 HB2 LEU 92 -16.058 6.357 -6.639 708 2HB LEU 92 HB1 LEU 92 -16.706 7.944 -6.287 709 HG LEU 92 HG LEU 92 -14.606 8.318 -7.278 710 1HD1 LEU 92 HD11 LEU 92 -14.212 8.508 -4.301 711 2HD1 LEU 92 HD12 LEU 92 -15.019 9.699 -5.320 712 3HD1 LEU 92 HD13 LEU 92 -13.296 9.383 -5.528 713 1HD2 LEU 92 HD21 LEU 92 -13.699 6.067 -7.095 714 2HD2 LEU 92 HD22 LEU 92 -13.434 6.301 -5.367 715 3HD2 LEU 92 HD23 LEU 92 -12.530 7.263 -6.535 716 H GLY 93 HN GLY 93 -17.159 4.608 -3.745 717 1HA GLY 93 HA2 GLY 93 -19.930 5.532 -3.945 718 2HA GLY 93 HA1 GLY 93 -19.451 3.947 -4.518 719 H SER 94 HN SER 94 -20.792 5.603 -2.005 720 HA SER 94 HA SER 94 -19.847 3.870 0.115 721 1HB SER 94 HB2 SER 94 -21.623 5.169 1.440 722 2HB SER 94 HB1 SER 94 -20.254 6.090 0.819 723 HG SER 94 HG SER 94 -21.549 6.852 -0.853 724 H THR 95 HN THR 95 -20.923 2.384 -1.902 725 HA THR 95 HA THR 95 -23.685 1.756 -1.298 726 HB THR 95 HB THR 95 -21.857 0.257 -3.178 727 HG1 THR 95 HG1 THR 95 -23.477 2.554 -3.736 728 1HG2 THR 95 HG21 THR 95 -24.854 0.663 -3.159 729 2HG2 THR 95 HG22 THR 95 -24.014 -0.808 -2.671 730 3HG2 THR 95 HG23 THR 95 -23.944 -0.269 -4.349 731 H ALA 96 HN ALA 96 -22.691 1.310 0.987 732 HA ALA 96 HA ALA 96 -22.302 -0.159 2.672 733 1HB ALA 96 HB1 ALA 96 -23.468 -2.283 2.533 734 2HB ALA 96 HB2 ALA 96 -23.633 -2.097 0.787 735 3HB ALA 96 HB3 ALA 96 -24.462 -0.984 1.874 736 HA PRO 97 HA PRO 97 -18.474 -1.967 0.808 737 1HB PRO 97 HB2 PRO 97 -17.084 -0.644 2.992 738 2HB PRO 97 HB1 PRO 97 -16.887 -0.411 1.252 739 1HG PRO 97 HG2 PRO 97 -17.966 1.474 2.891 740 2HG PRO 97 HG1 PRO 97 -18.399 1.310 1.181 741 1HD PRO 97 HD2 PRO 97 -19.873 0.360 3.611 742 2HD PRO 97 HD1 PRO 97 -20.506 1.114 2.132 743 H GLN 98 HN GLN 98 -18.305 -4.038 1.369 744 HA GLN 98 HA GLN 98 -17.961 -5.936 2.576 745 1HB GLN 98 HB2 GLN 98 -17.149 -3.941 4.690 746 2HB GLN 98 HB1 GLN 98 -17.119 -5.678 4.966 747 1HG GLN 98 HG2 GLN 98 -15.504 -5.972 3.201 748 2HG GLN 98 HG1 GLN 98 -15.595 -4.259 2.792 749 1HE2 GLN 98 HE21 GLN 98 -15.722 -3.391 5.555 750 2HE2 GLN 98 HE22 GLN 98 -14.134 -3.595 6.205 751 H VAL 99 HN VAL 99 -18.631 -6.809 5.007 752 HA VAL 99 HA VAL 99 -21.451 -6.008 5.327 753 HB VAL 99 HB VAL 99 -20.980 -8.364 4.528 754 1HG1 VAL 99 HG11 VAL 99 -20.334 -10.023 6.232 755 2HG1 VAL 99 HG12 VAL 99 -19.955 -8.704 7.340 756 3HG1 VAL 99 HG13 VAL 99 -19.040 -8.891 5.845 757 1HG2 VAL 99 HG21 VAL 99 -23.122 -7.759 5.478 758 2HG2 VAL 99 HG22 VAL 99 -22.509 -8.042 7.106 759 3HG2 VAL 99 HG23 VAL 99 -22.672 -9.389 5.980 760 H LEU 100 HN LEU 100 -18.806 -5.110 6.562 761 HA LEU 100 HA LEU 100 -19.109 -5.776 9.357 762 1HB LEU 100 HB2 LEU 100 -17.208 -4.014 7.831 763 2HB LEU 100 HB1 LEU 100 -17.265 -3.986 9.582 764 HG LEU 100 HG LEU 100 -16.749 -6.447 9.558 765 1HD1 LEU 100 HD11 LEU 100 -15.745 -7.375 7.519 766 2HD1 LEU 100 HD12 LEU 100 -16.224 -5.923 6.639 767 3HD1 LEU 100 HD13 LEU 100 -17.455 -6.993 7.311 768 1HD2 LEU 100 HD21 LEU 100 -15.042 -4.757 10.004 769 2HD2 LEU 100 HD22 LEU 100 -14.713 -4.631 8.275 770 3HD2 LEU 100 HD23 LEU 100 -14.376 -6.136 9.130 771 H SER 101 HN SER 101 -20.477 -4.802 10.629 772 HA SER 101 HA SER 101 -22.107 -3.417 11.376 773 1HB SER 101 HB2 SER 101 -21.389 -1.064 11.741 774 2HB SER 101 HB1 SER 101 -20.187 -2.240 12.263 775 HG SER 101 HG SER 101 -19.679 -1.659 9.727 776 H THR 102 HN THR 102 -22.574 -4.180 8.801 777 HA THR 102 HA THR 102 -23.456 -1.763 7.396 778 HB THR 102 HB THR 102 -23.383 -4.585 6.316 779 HG1 THR 102 HG1 THR 102 -21.340 -2.797 6.802 780 1HG2 THR 102 HG21 THR 102 -23.338 -3.446 4.140 781 2HG2 THR 102 HG22 THR 102 -23.421 -1.885 4.956 782 3HG2 THR 102 HG23 THR 102 -24.775 -3.007 5.062 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 32.336 -13.805 -4.601 2 2H GLY 1 HT2 GLY 1 32.196 -12.165 -5.001 3 3H GLY 1 HT3 GLY 1 31.055 -12.887 -3.976 4 1HA GLY 1 HA1 GLY 1 32.729 -13.240 -2.286 5 2HA GLY 1 HA2 GLY 1 33.934 -12.530 -3.350 6 H SER 2 HN SER 2 32.678 -10.347 -4.358 7 HA SER 2 HA SER 2 31.992 -8.773 -1.968 8 1HB SER 2 HB2 SER 2 33.811 -7.797 -4.177 9 2HB SER 2 HB1 SER 2 33.501 -7.031 -2.618 10 HG SER 2 HG SER 2 34.767 -8.476 -1.622 11 H GLU 3 HN GLU 3 30.191 -9.858 -3.889 12 HA GLU 3 HA GLU 3 29.214 -7.371 -5.103 13 1HB GLU 3 HB2 GLU 3 30.250 -8.766 -6.843 14 2HB GLU 3 HB1 GLU 3 29.185 -10.095 -6.409 15 1HG GLU 3 HG2 GLU 3 28.464 -8.893 -8.424 16 2HG GLU 3 HG1 GLU 3 27.261 -8.858 -7.134 17 H LYS 4 HN LYS 4 27.889 -10.650 -5.213 18 HA LYS 4 HA LYS 4 25.345 -9.697 -4.286 19 1HB LYS 4 HB2 LYS 4 25.712 -11.527 -5.998 20 2HB LYS 4 HB1 LYS 4 26.213 -12.563 -4.671 21 1HG LYS 4 HG2 LYS 4 24.030 -12.408 -3.667 22 2HG LYS 4 HG1 LYS 4 23.516 -11.244 -4.892 23 1HD LYS 4 HD2 LYS 4 23.959 -12.983 -6.624 24 2HD LYS 4 HD1 LYS 4 24.269 -14.131 -5.322 25 1HE LYS 4 HE2 LYS 4 22.012 -13.855 -4.499 26 2HE LYS 4 HE1 LYS 4 21.693 -12.615 -5.711 27 1HZ LYS 4 HZ1 LYS 4 22.304 -15.467 -6.263 28 2HZ LYS 4 HZ2 LYS 4 22.035 -14.282 -7.440 29 3HZ LYS 4 HZ3 LYS 4 20.781 -14.736 -6.393 30 H ARG 5 HN ARG 5 25.568 -8.977 -2.212 31 HA ARG 5 HA ARG 5 26.869 -10.698 -0.248 32 1HB ARG 5 HB2 ARG 5 25.944 -7.831 -0.171 33 2HB ARG 5 HB1 ARG 5 26.616 -8.665 1.224 34 1HG ARG 5 HG2 ARG 5 28.715 -8.975 0.072 35 2HG ARG 5 HG1 ARG 5 28.041 -8.275 -1.400 36 1HD ARG 5 HD2 ARG 5 28.364 -6.836 1.230 37 2HD ARG 5 HD1 ARG 5 29.436 -6.675 -0.160 38 HE ARG 5 HE ARG 5 26.729 -6.112 -0.842 39 1HH1 ARG 5 HH11 ARG 5 29.556 -4.769 0.721 40 2HH1 ARG 5 HH12 ARG 5 29.119 -3.121 0.372 41 1HH2 ARG 5 HH21 ARG 5 26.147 -3.955 -1.311 42 2HH2 ARG 5 HH22 ARG 5 27.171 -2.655 -0.758 43 H GLN 6 HN GLN 6 24.347 -8.441 0.550 44 HA GLN 6 HA GLN 6 22.593 -10.682 1.317 45 1HB GLN 6 HB2 GLN 6 23.069 -8.094 2.809 46 2HB GLN 6 HB1 GLN 6 21.839 -9.279 3.230 47 1HG GLN 6 HG2 GLN 6 23.546 -10.925 3.695 48 2HG GLN 6 HG1 GLN 6 24.803 -9.794 3.197 49 1HE2 GLN 6 HE21 GLN 6 24.376 -11.143 5.760 50 2HE2 GLN 6 HE22 GLN 6 24.264 -9.885 6.942 51 H HIS 7 HN HIS 7 20.485 -10.503 0.749 52 HA HIS 7 HA HIS 7 19.720 -8.011 -0.615 53 1HB HIS 7 HB2 HIS 7 18.987 -10.868 -1.172 54 2HB HIS 7 HB1 HIS 7 17.926 -9.559 -1.686 55 HD1 HIS 7 HD1 HIS 7 18.470 -8.487 -3.867 56 HD2 HIS 7 HD2 HIS 7 21.691 -10.598 -2.299 57 HE1 HIS 7 HE1 HIS 7 20.268 -8.374 -5.610 58 HE2 HIS 7 HE2 HIS 7 22.289 -9.384 -4.502 59 H SER 8 HN SER 8 19.471 -7.613 1.838 60 HA SER 8 HA SER 8 16.714 -8.198 2.629 61 1HB SER 8 HB2 SER 8 18.953 -6.842 4.161 62 2HB SER 8 HB1 SER 8 17.352 -7.219 4.803 63 HG SER 8 HG SER 8 17.813 -9.437 4.448 64 H SER 9 HN SER 9 17.738 -6.390 0.453 65 HA SER 9 HA SER 9 17.261 -3.705 1.173 66 1HB SER 9 HB2 SER 9 16.894 -4.979 -1.551 67 2HB SER 9 HB1 SER 9 17.220 -3.278 -1.207 68 HG SER 9 HG SER 9 19.240 -4.046 -0.233 69 H GLN 10 HN GLN 10 15.208 -6.103 -0.490 70 HA GLN 10 HA GLN 10 12.961 -6.371 -0.591 71 1HB GLN 10 HB2 GLN 10 13.233 -5.391 2.245 72 2HB GLN 10 HB1 GLN 10 11.784 -6.145 1.591 73 1HG GLN 10 HG2 GLN 10 13.035 -8.174 1.120 74 2HG GLN 10 HG1 GLN 10 14.500 -7.423 1.742 75 1HE2 GLN 10 HE21 GLN 10 11.335 -6.990 3.142 76 2HE2 GLN 10 HE22 GLN 10 11.641 -7.858 4.603 77 H ASP 11 HN ASP 11 13.760 -3.938 -1.691 78 HA ASP 11 HA ASP 11 11.974 -1.844 -0.959 79 1HB ASP 11 HB2 ASP 11 12.576 -0.975 -3.275 80 2HB ASP 11 HB1 ASP 11 13.928 -1.226 -2.180 81 H VAL 12 HN VAL 12 9.798 -2.062 -1.137 82 HA VAL 12 HA VAL 12 8.705 -3.646 -3.343 83 HB VAL 12 HB VAL 12 9.205 -5.191 -1.489 84 1HG1 VAL 12 HG11 VAL 12 7.890 -5.115 0.563 85 2HG1 VAL 12 HG12 VAL 12 7.159 -3.600 0.033 86 3HG1 VAL 12 HG13 VAL 12 8.888 -3.672 0.375 87 1HG2 VAL 12 HG21 VAL 12 7.024 -6.295 -1.409 88 2HG2 VAL 12 HG22 VAL 12 7.416 -5.734 -3.034 89 3HG2 VAL 12 HG23 VAL 12 6.269 -4.833 -2.043 90 H HIS 13 HN HIS 13 6.455 -3.403 -3.673 91 HA HIS 13 HA HIS 13 5.243 -1.092 -2.307 92 1HB HIS 13 HB2 HIS 13 4.544 -2.189 -5.044 93 2HB HIS 13 HB1 HIS 13 3.865 -0.753 -4.293 94 HD1 HIS 13 HD1 HIS 13 5.253 -0.683 -7.061 95 HD2 HIS 13 HD2 HIS 13 7.130 0.216 -3.456 96 HE1 HIS 13 HE1 HIS 13 7.228 0.760 -7.662 97 HE2 HIS 13 HE2 HIS 13 8.466 1.104 -5.489 98 H VAL 14 HN VAL 14 3.370 -1.426 -1.229 99 HA VAL 14 HA VAL 14 2.237 -4.140 -1.304 100 HB VAL 14 HB VAL 14 1.754 -1.985 0.764 101 1HG1 VAL 14 HG11 VAL 14 1.184 -4.950 0.821 102 2HG1 VAL 14 HG12 VAL 14 -0.015 -3.671 0.635 103 3HG1 VAL 14 HG13 VAL 14 0.895 -3.816 2.140 104 1HG2 VAL 14 HG21 VAL 14 3.693 -4.295 0.833 105 2HG2 VAL 14 HG22 VAL 14 3.288 -3.268 2.208 106 3HG2 VAL 14 HG23 VAL 14 4.097 -2.577 0.802 107 H VAL 15 HN VAL 15 -0.058 -4.391 -1.395 108 HA VAL 15 HA VAL 15 -1.222 -2.410 -3.171 109 HB VAL 15 HB VAL 15 -1.244 -4.787 -3.822 110 1HG1 VAL 15 HG11 VAL 15 -1.452 -5.815 -1.652 111 2HG1 VAL 15 HG12 VAL 15 -2.743 -6.363 -2.722 112 3HG1 VAL 15 HG13 VAL 15 -3.080 -5.159 -1.478 113 1HG2 VAL 15 HG21 VAL 15 -3.976 -3.615 -3.364 114 2HG2 VAL 15 HG22 VAL 15 -3.593 -4.906 -4.501 115 3HG2 VAL 15 HG23 VAL 15 -2.921 -3.294 -4.740 116 H LEU 16 HN LEU 16 -2.644 -0.958 -2.552 117 HA LEU 16 HA LEU 16 -4.406 -1.664 -0.304 118 1HB LEU 16 HB2 LEU 16 -2.792 0.428 -0.190 119 2HB LEU 16 HB1 LEU 16 -4.066 1.174 -1.141 120 HG LEU 16 HG LEU 16 -4.431 -0.123 1.551 121 1HD1 LEU 16 HD11 LEU 16 -4.869 2.142 2.351 122 2HD1 LEU 16 HD12 LEU 16 -4.423 2.776 0.765 123 3HD1 LEU 16 HD13 LEU 16 -3.218 1.952 1.755 124 1HD2 LEU 16 HD21 LEU 16 -6.360 1.414 -0.179 125 2HD2 LEU 16 HD22 LEU 16 -6.674 0.890 1.477 126 3HD2 LEU 16 HD23 LEU 16 -6.436 -0.307 0.202 127 H LYS 17 HN LYS 17 -6.303 -2.223 -1.032 128 HA LYS 17 HA LYS 17 -7.338 -0.956 -3.469 129 1HB LYS 17 HB2 LYS 17 -8.248 -3.462 -2.036 130 2HB LYS 17 HB1 LYS 17 -8.944 -2.829 -3.520 131 1HG LYS 17 HG2 LYS 17 -7.038 -3.358 -4.770 132 2HG LYS 17 HG1 LYS 17 -6.045 -3.567 -3.327 133 1HD LYS 17 HD2 LYS 17 -7.383 -5.530 -2.716 134 2HD LYS 17 HD1 LYS 17 -8.338 -5.321 -4.184 135 1HE LYS 17 HE2 LYS 17 -5.358 -5.639 -4.278 136 2HE LYS 17 HE1 LYS 17 -6.429 -7.034 -4.206 137 1HZ LYS 17 HZ1 LYS 17 -7.446 -6.348 -6.254 138 2HZ LYS 17 HZ2 LYS 17 -5.769 -6.443 -6.473 139 3HZ LYS 17 HZ3 LYS 17 -6.516 -4.932 -6.311 140 H LEU 18 HN LEU 18 -9.369 -0.007 -3.463 141 HA LEU 18 HA LEU 18 -10.321 0.861 -0.837 142 1HB LEU 18 HB2 LEU 18 -10.782 1.809 -3.663 143 2HB LEU 18 HB1 LEU 18 -11.819 2.314 -2.357 144 HG LEU 18 HG LEU 18 -10.302 4.062 -2.734 145 1HD1 LEU 18 HD11 LEU 18 -9.389 2.499 -0.332 146 2HD1 LEU 18 HD12 LEU 18 -10.752 3.621 -0.415 147 3HD1 LEU 18 HD13 LEU 18 -9.101 4.217 -0.617 148 1HD2 LEU 18 HD21 LEU 18 -8.650 2.879 -4.022 149 2HD2 LEU 18 HD22 LEU 18 -8.098 2.019 -2.581 150 3HD2 LEU 18 HD23 LEU 18 -7.871 3.765 -2.708 151 H TRP 19 HN TRP 19 -12.365 0.384 -0.142 152 HA TRP 19 HA TRP 19 -14.014 -1.307 -1.888 153 1HB TRP 19 HB2 TRP 19 -13.672 -1.720 1.089 154 2HB TRP 19 HB1 TRP 19 -14.531 -2.766 -0.030 155 HD1 TRP 19 HD1 TRP 19 -11.430 -2.559 1.763 156 HE1 TRP 19 HE1 TRP 19 -9.706 -4.197 0.822 157 HE3 TRP 19 HE3 TRP 19 -13.556 -3.470 -2.810 158 HZ2 TRP 19 HZ2 TRP 19 -9.279 -5.678 -1.517 159 HZ3 TRP 19 HZ3 TRP 19 -12.369 -4.951 -4.354 160 HH2 TRP 19 HH2 TRP 19 -10.270 -6.014 -3.734 161 H LYS 20 HN LYS 20 -16.324 -1.460 -0.791 162 HA LYS 20 HA LYS 20 -17.310 1.154 -0.743 163 1HB LYS 20 HB2 LYS 20 -19.439 -0.079 0.194 164 2HB LYS 20 HB1 LYS 20 -18.923 -0.293 -1.469 165 1HG LYS 20 HG2 LYS 20 -19.427 -2.443 -0.764 166 2HG LYS 20 HG1 LYS 20 -17.673 -2.366 -0.607 167 1HD LYS 20 HD2 LYS 20 -18.553 -3.432 1.346 168 2HD LYS 20 HD1 LYS 20 -17.985 -1.827 1.807 169 1HE LYS 20 HE2 LYS 20 -20.085 -2.201 2.875 170 2HE LYS 20 HE1 LYS 20 -20.327 -1.013 1.596 171 1HZ LYS 20 HZ1 LYS 20 -20.896 -3.911 1.272 172 2HZ LYS 20 HZ2 LYS 20 -21.318 -2.650 0.214 173 3HZ LYS 20 HZ3 LYS 20 -22.063 -2.770 1.732 174 H SER 21 HN SER 21 -16.379 -0.965 1.879 175 HA SER 21 HA SER 21 -17.322 1.069 3.780 176 1HB SER 21 HB2 SER 21 -18.451 -1.166 3.920 177 2HB SER 21 HB1 SER 21 -16.893 -1.876 4.338 178 HG SER 21 HG SER 21 -18.173 0.201 5.797 179 H GLY 22 HN GLY 22 -14.540 -0.468 2.503 180 1HA GLY 22 HA2 GLY 22 -12.870 0.783 4.497 181 2HA GLY 22 HA1 GLY 22 -12.884 -0.967 4.588 182 H PHE 23 HN PHE 23 -10.659 -0.919 4.201 183 HA PHE 23 HA PHE 23 -9.944 -0.819 1.381 184 1HB PHE 23 HB2 PHE 23 -7.920 0.564 1.878 185 2HB PHE 23 HB1 PHE 23 -9.433 1.438 2.099 186 HD1 PHE 23 HD1 PHE 23 -10.325 1.723 4.435 187 HD2 PHE 23 HD2 PHE 23 -6.376 0.358 3.637 188 HE1 PHE 23 HE1 PHE 23 -9.667 2.310 6.724 189 HE2 PHE 23 HE2 PHE 23 -5.714 0.946 5.929 190 HZ PHE 23 HZ PHE 23 -7.356 1.924 7.477 191 H SER 24 HN SER 24 -8.353 -2.259 0.843 192 HA SER 24 HA SER 24 -7.287 -3.905 3.061 193 1HB SER 24 HB2 SER 24 -8.759 -5.153 1.514 194 2HB SER 24 HB1 SER 24 -7.735 -4.682 0.160 195 HG SER 24 HG SER 24 -6.664 -6.037 2.387 196 H LEU 25 HN LEU 25 -5.239 -3.894 3.382 197 HA LEU 25 HA LEU 25 -3.443 -2.795 1.334 198 1HB LEU 25 HB2 LEU 25 -2.223 -2.652 3.880 199 2HB LEU 25 HB1 LEU 25 -2.736 -1.333 2.849 200 HG LEU 25 HG LEU 25 -5.029 -1.547 3.914 201 1HD1 LEU 25 HD11 LEU 25 -5.410 -2.817 5.781 202 2HD1 LEU 25 HD12 LEU 25 -3.708 -2.859 6.235 203 3HD1 LEU 25 HD13 LEU 25 -4.292 -3.882 4.923 204 1HD2 LEU 25 HD21 LEU 25 -4.298 -0.320 5.936 205 2HD2 LEU 25 HD22 LEU 25 -3.558 0.261 4.444 206 3HD2 LEU 25 HD23 LEU 25 -2.634 -0.755 5.552 207 H ASP 26 HN ASP 26 -4.014 -5.402 1.172 208 HA ASP 26 HA ASP 26 -3.266 -7.529 1.163 209 1HB ASP 26 HB2 ASP 26 -1.296 -6.578 0.130 210 2HB ASP 26 HB1 ASP 26 -0.614 -6.190 1.706 211 H ASN 27 HN ASN 27 -1.403 -6.002 3.772 212 HA ASN 27 HA ASN 27 -0.872 -8.295 5.209 213 1HB ASN 27 HB2 ASN 27 -0.105 -6.880 6.969 214 2HB ASN 27 HB1 ASN 27 0.218 -6.038 5.456 215 1HD2 ASN 27 HD21 ASN 27 -1.040 -4.223 4.912 216 2HD2 ASN 27 HD22 ASN 27 -1.962 -3.375 6.105 217 H GLY 28 HN GLY 28 -3.680 -6.126 5.617 218 1HA GLY 28 HA2 GLY 28 -4.693 -8.078 7.581 219 2HA GLY 28 HA1 GLY 28 -4.834 -6.349 7.855 220 H GLU 29 HN GLU 29 -5.241 -7.748 4.736 221 HA GLU 29 HA GLU 29 -6.942 -7.672 3.242 222 1HB GLU 29 HB2 GLU 29 -8.301 -8.847 5.659 223 2HB GLU 29 HB1 GLU 29 -9.024 -8.826 4.054 224 1HG GLU 29 HG2 GLU 29 -6.985 -10.024 3.227 225 2HG GLU 29 HG1 GLU 29 -6.501 -10.217 4.909 226 H LEU 30 HN LEU 30 -9.819 -7.361 3.908 227 HA LEU 30 HA LEU 30 -9.906 -4.543 3.408 228 1HB LEU 30 HB2 LEU 30 -11.366 -6.185 2.284 229 2HB LEU 30 HB1 LEU 30 -12.131 -6.566 3.802 230 HG LEU 30 HG LEU 30 -12.346 -3.943 2.307 231 1HD1 LEU 30 HD11 LEU 30 -14.216 -6.242 2.616 232 2HD1 LEU 30 HD12 LEU 30 -13.591 -5.507 1.133 233 3HD1 LEU 30 HD13 LEU 30 -14.739 -4.629 2.139 234 1HD2 LEU 30 HD21 LEU 30 -13.811 -4.828 4.753 235 2HD2 LEU 30 HD22 LEU 30 -14.030 -3.315 3.877 236 3HD2 LEU 30 HD23 LEU 30 -12.516 -3.633 4.724 237 H ARG 31 HN ARG 31 -9.690 -3.127 4.946 238 HA ARG 31 HA ARG 31 -10.970 -3.612 7.554 239 1HB ARG 31 HB2 ARG 31 -8.557 -1.975 6.786 240 2HB ARG 31 HB1 ARG 31 -9.337 -1.855 8.357 241 1HG ARG 31 HG2 ARG 31 -8.888 -4.251 8.724 242 2HG ARG 31 HG1 ARG 31 -8.020 -4.292 7.185 243 1HD ARG 31 HD2 ARG 31 -6.394 -2.743 7.973 244 2HD ARG 31 HD1 ARG 31 -7.331 -2.406 9.434 245 HE ARG 31 HE ARG 31 -6.317 -5.127 8.987 246 1HH1 ARG 31 HH11 ARG 31 -6.354 -2.167 10.834 247 2HH1 ARG 31 HH12 ARG 31 -5.274 -2.757 12.065 248 1HH2 ARG 31 HH21 ARG 31 -4.959 -5.953 10.639 249 2HH2 ARG 31 HH22 ARG 31 -4.513 -4.926 11.966 250 H SER 32 HN SER 32 -12.738 -2.416 7.892 251 HA SER 32 HA SER 32 -13.704 -0.501 6.147 252 1HB SER 32 HB2 SER 32 -14.943 -0.048 8.614 253 2HB SER 32 HB1 SER 32 -15.501 -1.115 7.323 254 HG SER 32 HG SER 32 -14.388 -1.729 9.756 255 H TYR 33 HN TYR 33 -13.840 1.714 6.185 256 HA TYR 33 HA TYR 33 -11.566 3.112 7.100 257 1HB TYR 33 HB2 TYR 33 -14.216 4.334 6.301 258 2HB TYR 33 HB1 TYR 33 -12.652 5.129 6.310 259 HD1 TYR 33 HD1 TYR 33 -15.063 3.680 4.292 260 HD2 TYR 33 HD2 TYR 33 -10.837 3.890 4.734 261 HE1 TYR 33 HE1 TYR 33 -14.797 3.122 1.913 262 HE2 TYR 33 HE2 TYR 33 -10.558 3.324 2.351 263 HH TYR 33 HH TYR 33 -11.888 2.157 0.579 264 H GLN 34 HN GLN 34 -14.535 2.363 8.625 265 HA GLN 34 HA GLN 34 -14.631 4.667 10.347 266 1HB GLN 34 HB2 GLN 34 -16.220 2.105 10.293 267 2HB GLN 34 HB1 GLN 34 -16.581 3.483 11.326 268 1HG GLN 34 HG2 GLN 34 -17.033 4.865 9.414 269 2HG GLN 34 HG1 GLN 34 -16.518 3.583 8.320 270 1HE2 GLN 34 HE21 GLN 34 -19.016 4.709 10.450 271 2HE2 GLN 34 HE22 GLN 34 -20.232 3.588 9.931 272 H ASP 35 HN ASP 35 -13.471 1.391 10.515 273 HA ASP 35 HA ASP 35 -13.352 1.133 13.324 274 1HB ASP 35 HB2 ASP 35 -12.034 -0.286 11.036 275 2HB ASP 35 HB1 ASP 35 -11.551 -0.648 12.685 276 HA PRO 36 HA PRO 36 -10.291 4.162 14.156 277 1HB PRO 36 HB2 PRO 36 -9.928 2.692 16.699 278 2HB PRO 36 HB1 PRO 36 -10.384 4.375 16.422 279 1HG PRO 36 HG2 PRO 36 -12.182 2.585 17.247 280 2HG PRO 36 HG1 PRO 36 -12.614 3.859 16.091 281 1HD PRO 36 HD2 PRO 36 -12.041 0.962 15.595 282 2HD PRO 36 HD1 PRO 36 -13.282 2.006 14.872 283 H SER 37 HN SER 37 -9.571 0.754 14.262 284 HA SER 37 HA SER 37 -6.795 1.047 14.915 285 1HB SER 37 HB2 SER 37 -8.201 -1.263 13.572 286 2HB SER 37 HB1 SER 37 -6.676 -1.323 14.460 287 HG SER 37 HG SER 37 -7.954 -1.849 16.069 288 H ASN 38 HN ASN 38 -8.764 1.202 12.155 289 HA ASN 38 HA ASN 38 -6.597 0.761 10.265 290 1HB ASN 38 HB2 ASN 38 -9.467 1.460 9.652 291 2HB ASN 38 HB1 ASN 38 -8.301 0.649 8.606 292 1HD2 ASN 38 HD21 ASN 38 -10.954 -0.207 9.490 293 2HD2 ASN 38 HD22 ASN 38 -10.729 -1.725 10.306 294 H ALA 39 HN ALA 39 -8.205 3.327 11.832 295 HA ALA 39 HA ALA 39 -7.954 5.400 9.967 296 1HB ALA 39 HB1 ALA 39 -7.721 5.599 12.969 297 2HB ALA 39 HB2 ALA 39 -9.235 5.575 12.067 298 3HB ALA 39 HB3 ALA 39 -8.106 6.914 11.858 299 H GLN 40 HN GLN 40 -5.650 3.911 12.127 300 HA GLN 40 HA GLN 40 -3.520 5.677 11.994 301 1HB GLN 40 HB2 GLN 40 -3.467 3.745 13.446 302 2HB GLN 40 HB1 GLN 40 -3.545 2.658 12.076 303 1HG GLN 40 HG2 GLN 40 -1.257 4.551 12.291 304 2HG GLN 40 HG1 GLN 40 -1.286 3.133 13.327 305 1HE2 GLN 40 HE21 GLN 40 -2.435 1.302 11.482 306 2HE2 GLN 40 HE22 GLN 40 -1.285 1.024 10.221 307 H PHE 41 HN PHE 41 -4.196 2.920 9.842 308 HA PHE 41 HA PHE 41 -2.175 3.387 7.968 309 1HB PHE 41 HB2 PHE 41 -4.937 2.241 7.486 310 2HB PHE 41 HB1 PHE 41 -3.565 2.092 6.396 311 HD1 PHE 41 HD1 PHE 41 -5.318 0.672 9.138 312 HD2 PHE 41 HD2 PHE 41 -1.506 0.865 7.247 313 HE1 PHE 41 HE1 PHE 41 -4.669 -1.419 10.248 314 HE2 PHE 41 HE2 PHE 41 -0.854 -1.229 8.356 315 HZ PHE 41 HZ PHE 41 -2.437 -2.375 9.856 316 H LEU 42 HN LEU 42 -5.599 4.185 7.778 317 HA LEU 42 HA LEU 42 -5.866 5.518 5.476 318 1HB LEU 42 HB2 LEU 42 -7.050 5.829 8.159 319 2HB LEU 42 HB1 LEU 42 -7.333 7.139 7.038 320 HG LEU 42 HG LEU 42 -8.064 4.234 6.616 321 1HD1 LEU 42 HD11 LEU 42 -9.785 6.660 7.093 322 2HD1 LEU 42 HD12 LEU 42 -9.488 5.353 8.240 323 3HD1 LEU 42 HD13 LEU 42 -10.367 5.032 6.745 324 1HD2 LEU 42 HD21 LEU 42 -7.444 5.334 4.515 325 2HD2 LEU 42 HD22 LEU 42 -8.605 6.620 4.853 326 3HD2 LEU 42 HD23 LEU 42 -9.169 4.971 4.581 327 H GLU 43 HN GLU 43 -5.185 7.288 8.462 328 HA GLU 43 HA GLU 43 -4.767 9.708 7.080 329 1HB GLU 43 HB2 GLU 43 -5.530 9.469 9.480 330 2HB GLU 43 HB1 GLU 43 -3.845 9.168 9.893 331 1HG GLU 43 HG2 GLU 43 -3.209 11.323 8.998 332 2HG GLU 43 HG1 GLU 43 -4.868 11.626 8.495 333 H SER 44 HN SER 44 -2.434 7.366 8.481 334 HA SER 44 HA SER 44 -0.146 8.927 8.042 335 1HB SER 44 HB2 SER 44 -0.419 5.918 7.932 336 2HB SER 44 HB1 SER 44 1.083 6.813 8.140 337 HG SER 44 HG SER 44 -0.974 6.326 9.943 338 H ILE 45 HN ILE 45 -1.912 6.706 5.949 339 HA ILE 45 HA ILE 45 0.016 6.861 3.825 340 HB ILE 45 HB ILE 45 -2.852 5.890 3.741 341 1HG1 ILE 45 HG12 ILE 45 -0.284 4.323 4.086 342 2HG1 ILE 45 HG11 ILE 45 -1.407 4.705 5.387 343 1HG2 ILE 45 HG21 ILE 45 -2.153 4.638 1.762 344 2HG2 ILE 45 HG22 ILE 45 -0.556 5.379 1.859 345 3HG2 ILE 45 HG23 ILE 45 -1.971 6.377 1.520 346 1HD1 ILE 45 HD11 ILE 45 -3.137 3.398 4.284 347 2HD1 ILE 45 HD12 ILE 45 -1.696 2.428 4.585 348 3HD1 ILE 45 HD13 ILE 45 -2.028 3.033 2.962 349 H ARG 46 HN ARG 46 -2.763 8.662 4.818 350 HA ARG 46 HA ARG 46 -3.071 10.165 2.394 351 1HB ARG 46 HB2 ARG 46 -4.122 10.425 5.193 352 2HB ARG 46 HB1 ARG 46 -4.348 11.728 4.036 353 1HG ARG 46 HG2 ARG 46 -5.679 10.394 2.633 354 2HG ARG 46 HG1 ARG 46 -5.194 8.908 3.451 355 1HD ARG 46 HD2 ARG 46 -7.508 9.761 3.989 356 2HD ARG 46 HD1 ARG 46 -6.465 9.438 5.371 357 HE ARG 46 HE ARG 46 -6.015 12.016 5.089 358 1HH1 ARG 46 HH11 ARG 46 -9.088 10.315 4.845 359 2HH1 ARG 46 HH12 ARG 46 -10.007 11.679 5.421 360 1HH2 ARG 46 HH21 ARG 46 -7.234 13.757 5.868 361 2HH2 ARG 46 HH22 ARG 46 -8.962 13.616 5.998 362 H ARG 47 HN ARG 47 -1.284 10.573 5.404 363 HA ARG 47 HA ARG 47 -0.434 13.250 4.887 364 1HB ARG 47 HB2 ARG 47 0.885 11.191 6.664 365 2HB ARG 47 HB1 ARG 47 1.144 12.926 6.712 366 1HG ARG 47 HG2 ARG 47 -1.349 11.432 7.471 367 2HG ARG 47 HG1 ARG 47 -0.253 12.310 8.538 368 1HD ARG 47 HD2 ARG 47 -0.832 14.390 7.294 369 2HD ARG 47 HD1 ARG 47 -2.046 13.459 6.413 370 HE ARG 47 HE ARG 47 -2.427 13.134 9.189 371 1HH1 ARG 47 HH11 ARG 47 -2.853 15.481 6.629 372 2HH1 ARG 47 HH12 ARG 47 -4.110 16.351 7.462 373 1HH2 ARG 47 HH21 ARG 47 -4.072 14.238 10.285 374 2HH2 ARG 47 HH22 ARG 47 -4.803 15.644 9.554 375 H GLY 48 HN GLY 48 0.424 10.306 3.521 376 1HA GLY 48 HA2 GLY 48 2.047 9.891 1.897 377 2HA GLY 48 HA1 GLY 48 2.794 11.438 2.279 378 H GLU 49 HN GLU 49 2.000 9.331 4.869 379 HA GLU 49 HA GLU 49 4.853 8.731 5.248 380 1HB GLU 49 HB2 GLU 49 2.620 8.897 7.284 381 2HB GLU 49 HB1 GLU 49 4.296 8.482 7.635 382 1HG GLU 49 HG2 GLU 49 5.001 10.694 6.848 383 2HG GLU 49 HG1 GLU 49 3.319 11.106 6.524 384 H VAL 50 HN VAL 50 5.174 6.656 6.544 385 HA VAL 50 HA VAL 50 3.612 4.608 5.152 386 HB VAL 50 HB VAL 50 6.002 4.729 4.615 387 1HG1 VAL 50 HG11 VAL 50 6.864 5.512 6.747 388 2HG1 VAL 50 HG12 VAL 50 7.693 4.045 6.229 389 3HG1 VAL 50 HG13 VAL 50 6.462 3.964 7.489 390 1HG2 VAL 50 HG21 VAL 50 6.501 2.332 4.933 391 2HG2 VAL 50 HG22 VAL 50 4.854 2.621 4.368 392 3HG2 VAL 50 HG23 VAL 50 5.148 2.228 6.062 393 HA PRO 51 HA PRO 51 2.104 3.182 9.116 394 1HB PRO 51 HB2 PRO 51 1.216 0.811 7.644 395 2HB PRO 51 HB1 PRO 51 0.247 2.049 8.445 396 1HG PRO 51 HG2 PRO 51 0.346 1.779 5.771 397 2HG PRO 51 HG1 PRO 51 0.114 3.344 6.570 398 1HD PRO 51 HD2 PRO 51 2.596 2.174 5.365 399 2HD PRO 51 HD1 PRO 51 1.986 3.842 5.280 400 H ALA 52 HN ALA 52 2.799 1.742 10.636 401 HA ALA 52 HA ALA 52 5.389 0.699 10.315 402 1HB ALA 52 HB1 ALA 52 5.155 -0.141 12.578 403 2HB ALA 52 HB2 ALA 52 3.413 0.125 12.517 404 3HB ALA 52 HB3 ALA 52 4.516 1.499 12.462 405 H GLU 53 HN GLU 53 2.254 -0.718 9.901 406 HA GLU 53 HA GLU 53 2.822 -3.432 10.052 407 1HB GLU 53 HB2 GLU 53 0.921 -1.844 8.348 408 2HB GLU 53 HB1 GLU 53 1.026 -3.589 8.188 409 1HG GLU 53 HG2 GLU 53 -0.812 -2.820 9.637 410 2HG GLU 53 HG1 GLU 53 0.314 -3.907 10.449 411 H LEU 54 HN LEU 54 3.442 -1.139 7.458 412 HA LEU 54 HA LEU 54 4.328 -3.228 5.655 413 1HB LEU 54 HB2 LEU 54 4.584 -0.269 5.190 414 2HB LEU 54 HB1 LEU 54 4.454 -1.559 4.007 415 HG LEU 54 HG LEU 54 2.240 -0.632 5.819 416 1HD1 LEU 54 HD11 LEU 54 2.696 -0.239 2.863 417 2HD1 LEU 54 HD12 LEU 54 2.842 1.000 4.108 418 3HD1 LEU 54 HD13 LEU 54 1.270 0.275 3.767 419 1HD2 LEU 54 HD21 LEU 54 1.983 -2.968 5.327 420 2HD2 LEU 54 HD22 LEU 54 2.351 -2.695 3.625 421 3HD2 LEU 54 HD23 LEU 54 0.851 -2.068 4.315 422 H ARG 55 HN ARG 55 5.623 -0.668 7.659 423 HA ARG 55 HA ARG 55 8.312 -0.899 6.826 424 1HB ARG 55 HB2 ARG 55 6.853 0.432 8.979 425 2HB ARG 55 HB1 ARG 55 8.499 -0.020 9.394 426 1HG ARG 55 HG2 ARG 55 7.756 1.554 6.945 427 2HG ARG 55 HG1 ARG 55 8.277 2.267 8.473 428 1HD ARG 55 HD2 ARG 55 10.377 0.960 8.294 429 2HD ARG 55 HD1 ARG 55 9.834 0.383 6.716 430 HE ARG 55 HE ARG 55 9.737 3.151 6.627 431 1HH1 ARG 55 HH11 ARG 55 12.180 0.693 7.092 432 2HH1 ARG 55 HH12 ARG 55 13.453 1.645 6.382 433 1HH2 ARG 55 HH21 ARG 55 11.379 4.404 5.695 434 2HH2 ARG 55 HH22 ARG 55 13.001 3.773 5.592 435 H ARG 56 HN ARG 56 6.484 -2.528 9.402 436 HA ARG 56 HA ARG 56 8.743 -4.211 10.015 437 1HB ARG 56 HB2 ARG 56 5.861 -4.370 10.902 438 2HB ARG 56 HB1 ARG 56 7.147 -5.415 11.489 439 1HG ARG 56 HG2 ARG 56 7.024 -2.425 11.814 440 2HG ARG 56 HG1 ARG 56 6.632 -3.612 13.060 441 1HD ARG 56 HD2 ARG 56 8.836 -2.910 13.534 442 2HD ARG 56 HD1 ARG 56 9.006 -4.484 12.761 443 HE ARG 56 HE ARG 56 9.187 -2.214 10.979 444 1HH1 ARG 56 HH11 ARG 56 10.965 -4.416 13.052 445 2HH1 ARG 56 HH12 ARG 56 12.456 -4.217 12.174 446 1HH2 ARG 56 HH21 ARG 56 11.155 -1.975 9.830 447 2HH2 ARG 56 HH22 ARG 56 12.563 -2.835 10.369 448 H LEU 57 HN LEU 57 8.067 -4.193 7.339 449 HA LEU 57 HA LEU 57 7.700 -7.040 6.918 450 1HB LEU 57 HB2 LEU 57 5.483 -5.867 6.643 451 2HB LEU 57 HB1 LEU 57 6.198 -4.968 5.325 452 HG LEU 57 HG LEU 57 6.134 -7.973 5.260 453 1HD1 LEU 57 HD11 LEU 57 3.853 -7.238 5.706 454 2HD1 LEU 57 HD12 LEU 57 4.014 -7.852 4.061 455 3HD1 LEU 57 HD13 LEU 57 3.942 -6.114 4.352 456 1HD2 LEU 57 HD21 LEU 57 6.127 -7.593 2.837 457 2HD2 LEU 57 HD22 LEU 57 7.522 -6.839 3.609 458 3HD2 LEU 57 HD23 LEU 57 6.148 -5.850 3.113 459 H ALA 58 HN ALA 58 8.110 -3.907 5.298 460 HA ALA 58 HA ALA 58 10.139 -5.035 3.532 461 1HB ALA 58 HB1 ALA 58 8.913 -2.278 3.610 462 2HB ALA 58 HB2 ALA 58 8.439 -3.599 2.540 463 3HB ALA 58 HB3 ALA 58 10.039 -2.870 2.388 464 H HIS 59 HN HIS 59 12.207 -4.279 3.406 465 HA HIS 59 HA HIS 59 13.138 -2.537 5.583 466 1HB HIS 59 HB2 HIS 59 14.544 -4.882 4.272 467 2HB HIS 59 HB1 HIS 59 15.349 -3.738 5.337 468 HD1 HIS 59 HD1 HIS 59 15.282 -4.239 7.775 469 HD2 HIS 59 HD2 HIS 59 12.433 -6.393 5.636 470 HE1 HIS 59 HE1 HIS 59 14.246 -5.834 9.426 471 HE2 HIS 59 HE2 HIS 59 12.603 -7.204 8.086 472 H GLY 60 HN GLY 60 15.694 -2.010 4.536 473 1HA GLY 60 HA2 GLY 60 16.815 -0.930 2.819 474 2HA GLY 60 HA1 GLY 60 15.484 -1.345 1.741 475 H GLY 61 HN GLY 61 13.387 -0.138 2.282 476 1HA GLY 61 HA2 GLY 61 12.891 2.010 3.664 477 2HA GLY 61 HA1 GLY 61 14.070 2.687 2.571 478 H GLN 62 HN GLN 62 13.100 1.041 0.326 479 HA GLN 62 HA GLN 62 10.972 2.781 -0.451 480 1HB GLN 62 HB2 GLN 62 12.812 1.838 -1.895 481 2HB GLN 62 HB1 GLN 62 11.901 0.334 -1.905 482 1HG GLN 62 HG2 GLN 62 9.908 1.737 -2.687 483 2HG GLN 62 HG1 GLN 62 11.091 2.993 -3.039 484 1HE2 GLN 62 HE21 GLN 62 13.155 1.144 -3.898 485 2HE2 GLN 62 HE22 GLN 62 12.648 0.534 -5.439 486 H VAL 63 HN VAL 63 10.010 1.623 1.704 487 HA VAL 63 HA VAL 63 8.201 -0.478 0.830 488 HB VAL 63 HB VAL 63 8.953 -0.751 3.081 489 1HG1 VAL 63 HG11 VAL 63 8.011 2.062 3.624 490 2HG1 VAL 63 HG12 VAL 63 9.687 1.517 3.545 491 3HG1 VAL 63 HG13 VAL 63 8.630 0.932 4.831 492 1HG2 VAL 63 HG21 VAL 63 6.612 -1.288 2.681 493 2HG2 VAL 63 HG22 VAL 63 6.150 0.355 3.124 494 3HG2 VAL 63 HG23 VAL 63 6.858 -0.717 4.331 495 H ASN 64 HN ASN 64 6.732 0.280 -0.553 496 HA ASN 64 HA ASN 64 5.340 2.764 0.175 497 1HB ASN 64 HB2 ASN 64 7.110 2.916 -1.692 498 2HB ASN 64 HB1 ASN 64 5.947 2.031 -2.671 499 1HD2 ASN 64 HD21 ASN 64 5.033 4.344 -0.206 500 2HD2 ASN 64 HD22 ASN 64 4.415 5.538 -1.295 501 H LEU 65 HN LEU 65 3.278 2.994 -1.158 502 HA LEU 65 HA LEU 65 1.988 0.363 -1.297 503 1HB LEU 65 HB2 LEU 65 1.466 1.294 0.844 504 2HB LEU 65 HB1 LEU 65 1.083 2.852 0.142 505 HG LEU 65 HG LEU 65 -0.579 0.562 -0.733 506 1HD1 LEU 65 HD11 LEU 65 -0.726 1.764 2.034 507 2HD1 LEU 65 HD12 LEU 65 -0.332 0.090 1.639 508 3HD1 LEU 65 HD13 LEU 65 -1.947 0.718 1.309 509 1HD2 LEU 65 HD21 LEU 65 -1.154 3.405 0.113 510 2HD2 LEU 65 HD22 LEU 65 -2.330 2.275 -0.559 511 3HD2 LEU 65 HD23 LEU 65 -0.979 2.833 -1.545 512 H ASP 66 HN ASP 66 0.693 0.039 -2.993 513 HA ASP 66 HA ASP 66 0.135 2.311 -4.788 514 1HB ASP 66 HB2 ASP 66 0.779 -0.524 -5.242 515 2HB ASP 66 HB1 ASP 66 -0.584 0.053 -6.195 516 H MET 67 HN MET 67 -2.022 2.474 -5.704 517 HA MET 67 HA MET 67 -4.002 1.342 -3.846 518 1HB MET 67 HB2 MET 67 -3.961 4.053 -5.169 519 2HB MET 67 HB1 MET 67 -5.357 3.406 -4.319 520 1HG MET 67 HG2 MET 67 -4.037 3.276 -2.261 521 2HG MET 67 HG1 MET 67 -2.649 3.945 -3.118 522 1HE MET 67 HE1 MET 67 -2.347 5.903 -1.398 523 2HE MET 67 HE2 MET 67 -3.670 5.236 -0.442 524 3HE MET 67 HE3 MET 67 -3.659 6.950 -0.855 525 H GLU 68 HN GLU 68 -5.647 0.276 -4.619 526 HA GLU 68 HA GLU 68 -6.451 0.652 -7.436 527 1HB GLU 68 HB2 GLU 68 -6.753 -1.800 -5.715 528 2HB GLU 68 HB1 GLU 68 -7.433 -1.617 -7.314 529 1HG GLU 68 HG2 GLU 68 -5.172 -1.475 -8.243 530 2HG GLU 68 HG1 GLU 68 -4.509 -1.715 -6.621 531 H ASP 69 HN ASP 69 -8.592 1.146 -7.745 532 HA ASP 69 HA ASP 69 -10.131 1.553 -5.268 533 1HB ASP 69 HB2 ASP 69 -9.533 3.502 -6.821 534 2HB ASP 69 HB1 ASP 69 -10.718 2.827 -7.926 535 H HIS 70 HN HIS 70 -11.526 -0.038 -4.887 536 HA HIS 70 HA HIS 70 -13.268 -0.960 -7.071 537 1HB HIS 70 HB2 HIS 70 -12.080 -2.819 -4.993 538 2HB HIS 70 HB1 HIS 70 -13.151 -3.265 -6.310 539 HD1 HIS 70 HD1 HIS 70 -12.092 -3.881 -8.501 540 HD2 HIS 70 HD2 HIS 70 -9.417 -2.175 -5.808 541 HE1 HIS 70 HE1 HIS 70 -9.808 -4.268 -9.481 542 HE2 HIS 70 HE2 HIS 70 -8.187 -3.357 -7.774 543 H ARG 71 HN ARG 71 -14.052 0.949 -5.404 544 HA ARG 71 HA ARG 71 -14.887 0.056 -2.855 545 1HB ARG 71 HB2 ARG 71 -15.475 2.551 -4.421 546 2HB ARG 71 HB1 ARG 71 -16.156 2.254 -2.820 547 1HG ARG 71 HG2 ARG 71 -13.994 2.130 -1.836 548 2HG ARG 71 HG1 ARG 71 -13.212 2.151 -3.412 549 1HD ARG 71 HD2 ARG 71 -14.850 4.419 -2.307 550 2HD ARG 71 HD1 ARG 71 -13.088 4.292 -2.155 551 HE ARG 71 HE ARG 71 -13.460 4.047 -4.811 552 1HH1 ARG 71 HH11 ARG 71 -14.621 6.401 -2.477 553 2HH1 ARG 71 HH12 ARG 71 -14.634 7.709 -3.626 554 1HH2 ARG 71 HH21 ARG 71 -13.472 5.757 -6.299 555 2HH2 ARG 71 HH22 ARG 71 -13.994 7.337 -5.805 556 H ASP 72 HN ASP 72 -16.694 0.585 -5.875 557 HA ASP 72 HA ASP 72 -19.053 -0.540 -4.581 558 1HB ASP 72 HB2 ASP 72 -20.274 0.036 -6.561 559 2HB ASP 72 HB1 ASP 72 -19.231 1.397 -6.168 560 H GLU 73 HN GLU 73 -16.545 -2.045 -5.101 561 HA GLU 73 HA GLU 73 -17.551 -4.197 -6.849 562 1HB GLU 73 HB2 GLU 73 -14.960 -2.890 -6.525 563 2HB GLU 73 HB1 GLU 73 -14.856 -4.644 -6.511 564 1HG GLU 73 HG2 GLU 73 -15.872 -4.771 -8.680 565 2HG GLU 73 HG1 GLU 73 -16.239 -3.045 -8.660 566 H ASP 74 HN ASP 74 -16.821 -3.371 -3.685 567 HA ASP 74 HA ASP 74 -16.263 -4.361 -1.768 568 1HB ASP 74 HB2 ASP 74 -17.476 -6.367 -1.111 569 2HB ASP 74 HB1 ASP 74 -18.516 -5.190 -1.890 570 H PHE 75 HN PHE 75 -15.569 -6.711 -0.752 571 HA PHE 75 HA PHE 75 -12.849 -6.415 -1.270 572 1HB PHE 75 HB2 PHE 75 -13.973 -7.161 0.878 573 2HB PHE 75 HB1 PHE 75 -14.042 -8.768 0.168 574 HD1 PHE 75 HD1 PHE 75 -11.154 -6.772 -0.680 575 HD2 PHE 75 HD2 PHE 75 -12.736 -9.506 2.168 576 HE1 PHE 75 HE1 PHE 75 -8.889 -7.157 0.201 577 HE2 PHE 75 HE2 PHE 75 -10.470 -9.902 3.035 578 HZ PHE 75 HZ PHE 75 -8.552 -8.730 2.053 579 H VAL 76 HN VAL 76 -11.889 -6.948 -3.042 580 HA VAL 76 HA VAL 76 -11.759 -9.781 -3.752 581 HB VAL 76 HB VAL 76 -13.078 -8.648 -5.462 582 1HG1 VAL 76 HG11 VAL 76 -10.684 -6.880 -5.825 583 2HG1 VAL 76 HG12 VAL 76 -12.304 -6.399 -5.316 584 3HG1 VAL 76 HG13 VAL 76 -12.033 -6.981 -6.959 585 1HG2 VAL 76 HG21 VAL 76 -10.336 -9.443 -6.410 586 2HG2 VAL 76 HG22 VAL 76 -11.771 -9.325 -7.430 587 3HG2 VAL 76 HG23 VAL 76 -11.705 -10.520 -6.135 588 H LYS 77 HN LYS 77 -9.849 -10.223 -2.822 589 HA LYS 77 HA LYS 77 -7.827 -8.131 -2.657 590 1HB LYS 77 HB2 LYS 77 -6.844 -9.508 -0.955 591 2HB LYS 77 HB1 LYS 77 -8.571 -9.381 -0.660 592 1HG LYS 77 HG2 LYS 77 -8.587 -11.624 -2.079 593 2HG LYS 77 HG1 LYS 77 -6.945 -11.729 -1.444 594 1HD LYS 77 HD2 LYS 77 -8.230 -12.858 0.146 595 2HD LYS 77 HD1 LYS 77 -8.023 -11.248 0.843 596 1HE LYS 77 HE2 LYS 77 -10.213 -10.585 0.088 597 2HE LYS 77 HE1 LYS 77 -10.424 -12.126 -0.752 598 1HZ LYS 77 HZ1 LYS 77 -10.089 -11.834 2.192 599 2HZ LYS 77 HZ2 LYS 77 -10.390 -13.275 1.352 600 3HZ LYS 77 HZ3 LYS 77 -11.575 -12.064 1.397 601 HA PRO 78 HA PRO 78 -5.008 -9.970 -5.532 602 1HB PRO 78 HB2 PRO 78 -2.614 -9.381 -4.580 603 2HB PRO 78 HB1 PRO 78 -3.733 -8.087 -5.045 604 1HG PRO 78 HG2 PRO 78 -3.235 -9.246 -2.341 605 2HG PRO 78 HG1 PRO 78 -3.212 -7.543 -2.827 606 1HD PRO 78 HD2 PRO 78 -5.368 -8.664 -1.668 607 2HD PRO 78 HD1 PRO 78 -5.523 -7.417 -2.920 608 H LYS 79 HN LYS 79 -4.937 -10.881 -2.261 609 HA LYS 79 HA LYS 79 -3.374 -13.270 -2.671 610 1HB LYS 79 HB2 LYS 79 -4.180 -13.623 -0.201 611 2HB LYS 79 HB1 LYS 79 -2.938 -12.438 -0.569 612 1HG LYS 79 HG2 LYS 79 -4.646 -10.648 -0.506 613 2HG LYS 79 HG1 LYS 79 -5.866 -11.853 -0.087 614 1HD LYS 79 HD2 LYS 79 -4.989 -10.647 1.887 615 2HD LYS 79 HD1 LYS 79 -4.694 -12.386 1.965 616 1HE LYS 79 HE2 LYS 79 -2.401 -12.012 1.147 617 2HE LYS 79 HE1 LYS 79 -2.703 -10.275 1.135 618 1HZ LYS 79 HZ1 LYS 79 -2.778 -12.027 3.536 619 2HZ LYS 79 HZ2 LYS 79 -3.051 -10.352 3.518 620 3HZ LYS 79 HZ3 LYS 79 -1.523 -10.960 3.126 621 H GLY 80 HN GLY 80 -4.714 -14.205 -4.266 622 1HA GLY 80 HA2 GLY 80 -6.246 -16.250 -3.939 623 2HA GLY 80 HA1 GLY 80 -7.394 -15.039 -3.381 624 H ALA 81 HN ALA 81 -7.512 -13.087 -5.005 625 HA ALA 81 HA ALA 81 -8.410 -14.230 -7.493 626 1HB ALA 81 HB1 ALA 81 -9.719 -12.486 -6.394 627 2HB ALA 81 HB2 ALA 81 -9.219 -11.984 -8.009 628 3HB ALA 81 HB3 ALA 81 -8.384 -11.351 -6.590 629 H PHE 82 HN PHE 82 -6.107 -11.661 -6.622 630 HA PHE 82 HA PHE 82 -4.002 -11.220 -7.338 631 1HB PHE 82 HB2 PHE 82 -3.687 -13.660 -7.291 632 2HB PHE 82 HB1 PHE 82 -4.272 -13.769 -8.945 633 HD1 PHE 82 HD1 PHE 82 -2.749 -13.782 -10.667 634 HD2 PHE 82 HD2 PHE 82 -1.628 -12.084 -6.928 635 HE1 PHE 82 HE1 PHE 82 -0.455 -13.476 -11.499 636 HE2 PHE 82 HE2 PHE 82 0.670 -11.777 -7.755 637 HZ PHE 82 HZ PHE 82 1.258 -12.472 -10.043 638 H LYS 83 HN LYS 83 -6.630 -11.300 -9.426 639 HA LYS 83 HA LYS 83 -5.413 -10.812 -11.909 640 1HB LYS 83 HB2 LYS 83 -7.620 -9.957 -12.628 641 2HB LYS 83 HB1 LYS 83 -7.709 -11.516 -11.821 642 1HG LYS 83 HG2 LYS 83 -8.522 -10.486 -9.806 643 2HG LYS 83 HG1 LYS 83 -8.294 -8.877 -10.494 644 1HD LYS 83 HD2 LYS 83 -10.172 -10.978 -11.575 645 2HD LYS 83 HD1 LYS 83 -10.648 -9.617 -10.557 646 1HE LYS 83 HE2 LYS 83 -9.851 -8.057 -12.254 647 2HE LYS 83 HE1 LYS 83 -9.340 -9.407 -13.267 648 1HZ LYS 83 HZ1 LYS 83 -12.140 -8.881 -12.425 649 2HZ LYS 83 HZ2 LYS 83 -11.619 -10.104 -13.479 650 3HZ LYS 83 HZ3 LYS 83 -11.485 -8.476 -13.937 651 H ALA 84 HN ALA 84 -6.128 -8.673 -9.270 652 HA ALA 84 HA ALA 84 -5.537 -6.530 -8.817 653 1HB ALA 84 HB1 ALA 84 -3.696 -6.837 -11.187 654 2HB ALA 84 HB2 ALA 84 -3.318 -7.302 -9.528 655 3HB ALA 84 HB3 ALA 84 -3.586 -5.606 -9.930 656 H PHE 85 HN PHE 85 -4.913 -4.358 -10.355 657 HA PHE 85 HA PHE 85 -6.531 -4.064 -12.677 658 1HB PHE 85 HB2 PHE 85 -8.330 -3.978 -10.996 659 2HB PHE 85 HB1 PHE 85 -7.477 -2.695 -10.144 660 HD1 PHE 85 HD1 PHE 85 -7.999 -0.495 -10.607 661 HD2 PHE 85 HD2 PHE 85 -8.921 -3.490 -13.485 662 HE1 PHE 85 HE1 PHE 85 -9.156 1.187 -11.978 663 HE2 PHE 85 HE2 PHE 85 -10.083 -1.813 -14.862 664 HZ PHE 85 HZ PHE 85 -10.199 0.530 -14.109 665 H THR 86 HN THR 86 -5.384 -2.698 -13.878 666 HA THR 86 HA THR 86 -3.465 -0.940 -12.589 667 HB THR 86 HB THR 86 -2.731 -0.518 -14.982 668 HG1 THR 86 HG1 THR 86 -3.754 -1.515 -16.565 669 1HG2 THR 86 HG21 THR 86 -1.590 -2.676 -15.162 670 2HG2 THR 86 HG22 THR 86 -2.696 -3.367 -13.975 671 3HG2 THR 86 HG23 THR 86 -1.576 -2.091 -13.500 672 H GLY 87 HN GLY 87 -5.742 -0.530 -15.320 673 1HA GLY 87 HA2 GLY 87 -7.114 1.216 -15.900 674 2HA GLY 87 HA1 GLY 87 -7.191 1.585 -14.183 675 H GLU 88 HN GLU 88 -5.073 1.954 -17.009 676 HA GLU 88 HA GLU 88 -3.885 3.719 -17.818 677 1HB GLU 88 HB2 GLU 88 -5.191 5.340 -15.623 678 2HB GLU 88 HB1 GLU 88 -4.251 5.993 -16.956 679 1HG GLU 88 HG2 GLU 88 -5.901 5.211 -18.544 680 2HG GLU 88 HG1 GLU 88 -6.825 4.457 -17.244 681 H GLY 89 HN GLY 89 -3.914 3.489 -14.293 682 1HA GLY 89 HA2 GLY 89 -1.260 2.866 -13.919 683 2HA GLY 89 HA1 GLY 89 -1.318 4.627 -13.922 684 H GLN 90 HN GLN 90 -3.800 5.012 -12.784 685 HA GLN 90 HA GLN 90 -4.932 5.173 -10.837 686 1HB GLN 90 HB2 GLN 90 -5.153 2.688 -11.495 687 2HB GLN 90 HB1 GLN 90 -4.020 2.388 -10.186 688 1HG GLN 90 HG2 GLN 90 -5.539 3.283 -8.575 689 2HG GLN 90 HG1 GLN 90 -6.634 3.836 -9.843 690 1HE2 GLN 90 HE21 GLN 90 -4.981 0.787 -9.988 691 2HE2 GLN 90 HE22 GLN 90 -6.368 -0.211 -9.761 692 H LYS 91 HN LYS 91 -2.919 6.599 -10.459 693 HA LYS 91 HA LYS 91 -2.518 6.453 -7.669 694 1HB LYS 91 HB2 LYS 91 -0.051 6.394 -7.629 695 2HB LYS 91 HB1 LYS 91 -0.732 4.895 -8.237 696 1HG LYS 91 HG2 LYS 91 -0.296 5.800 -10.560 697 2HG LYS 91 HG1 LYS 91 0.650 7.067 -9.779 698 1HD LYS 91 HD2 LYS 91 2.293 5.527 -10.217 699 2HD LYS 91 HD1 LYS 91 1.810 5.033 -8.594 700 1HE LYS 91 HE2 LYS 91 0.768 3.813 -11.149 701 2HE LYS 91 HE1 LYS 91 2.070 3.138 -10.173 702 1HZ LYS 91 HZ1 LYS 91 0.551 2.834 -8.351 703 2HZ LYS 91 HZ2 LYS 91 -0.091 2.103 -9.740 704 3HZ LYS 91 HZ3 LYS 91 -0.706 3.583 -9.212 705 H LEU 92 HN LEU 92 -1.251 7.814 -10.692 706 HA LEU 92 HA LEU 92 -0.995 9.963 -11.407 707 1HB LEU 92 HB2 LEU 92 -3.513 10.240 -9.769 708 2HB LEU 92 HB1 LEU 92 -2.972 11.391 -10.977 709 HG LEU 92 HG LEU 92 -3.706 8.514 -11.538 710 1HD1 LEU 92 HD11 LEU 92 -5.657 9.789 -10.884 711 2HD1 LEU 92 HD12 LEU 92 -5.694 9.466 -12.617 712 3HD1 LEU 92 HD13 LEU 92 -5.235 11.064 -12.027 713 1HD2 LEU 92 HD21 LEU 92 -3.070 10.808 -13.391 714 2HD2 LEU 92 HD22 LEU 92 -3.625 9.209 -13.886 715 3HD2 LEU 92 HD23 LEU 92 -2.057 9.394 -13.100 716 H GLY 93 HN GLY 93 0.735 9.601 -9.388 717 1HA GLY 93 HA2 GLY 93 1.188 12.209 -8.417 718 2HA GLY 93 HA1 GLY 93 0.500 11.223 -7.134 719 H SER 94 HN SER 94 2.059 10.621 -5.806 720 HA SER 94 HA SER 94 4.057 9.932 -4.979 721 1HB SER 94 HB2 SER 94 4.317 8.469 -7.621 722 2HB SER 94 HB1 SER 94 5.119 8.063 -6.103 723 HG SER 94 HG SER 94 3.427 6.799 -5.907 724 H THR 95 HN THR 95 4.072 12.420 -6.052 725 HA THR 95 HA THR 95 6.109 12.795 -8.010 726 HB THR 95 HB THR 95 4.324 14.366 -7.993 727 HG1 THR 95 HG1 THR 95 5.612 16.377 -7.295 728 1HG2 THR 95 HG21 THR 95 3.598 14.132 -5.683 729 2HG2 THR 95 HG22 THR 95 3.827 15.832 -6.093 730 3HG2 THR 95 HG23 THR 95 5.038 14.988 -5.128 731 H ALA 96 HN ALA 96 8.161 12.429 -7.551 732 HA ALA 96 HA ALA 96 9.339 13.908 -5.317 733 1HB ALA 96 HB1 ALA 96 9.953 11.010 -5.886 734 2HB ALA 96 HB2 ALA 96 9.038 11.617 -4.507 735 3HB ALA 96 HB3 ALA 96 10.745 12.022 -4.679 736 HA PRO 97 HA PRO 97 11.749 14.092 -9.295 737 1HB PRO 97 HB2 PRO 97 10.892 16.392 -10.347 738 2HB PRO 97 HB1 PRO 97 9.935 14.913 -10.498 739 1HG PRO 97 HG2 PRO 97 9.500 17.280 -8.768 740 2HG PRO 97 HG1 PRO 97 8.317 16.165 -9.470 741 1HD PRO 97 HD2 PRO 97 9.373 16.137 -6.826 742 2HD PRO 97 HD1 PRO 97 8.290 14.942 -7.565 743 H GLN 98 HN GLN 98 12.677 16.602 -10.125 744 HA GLN 98 HA GLN 98 14.066 17.537 -7.707 745 1HB GLN 98 HB2 GLN 98 15.501 16.188 -9.243 746 2HB GLN 98 HB1 GLN 98 15.236 17.398 -10.488 747 1HG GLN 98 HG2 GLN 98 17.394 17.646 -9.332 748 2HG GLN 98 HG1 GLN 98 16.365 19.069 -9.186 749 1HE2 GLN 98 HE21 GLN 98 15.611 19.673 -7.188 750 2HE2 GLN 98 HE22 GLN 98 16.132 18.938 -5.712 751 H VAL 99 HN VAL 99 12.394 19.116 -7.531 752 HA VAL 99 HA VAL 99 12.449 21.308 -9.443 753 HB VAL 99 HB VAL 99 11.094 21.141 -6.739 754 1HG1 VAL 99 HG11 VAL 99 9.762 23.047 -7.542 755 2HG1 VAL 99 HG12 VAL 99 10.756 23.110 -8.997 756 3HG1 VAL 99 HG13 VAL 99 11.479 23.435 -7.422 757 1HG2 VAL 99 HG21 VAL 99 9.971 20.693 -9.502 758 2HG2 VAL 99 HG22 VAL 99 9.027 20.767 -8.014 759 3HG2 VAL 99 HG23 VAL 99 10.197 19.470 -8.252 760 H LEU 100 HN LEU 100 13.051 20.924 -5.974 761 HA LEU 100 HA LEU 100 15.689 21.883 -6.012 762 1HB LEU 100 HB2 LEU 100 14.405 24.048 -6.408 763 2HB LEU 100 HB1 LEU 100 13.775 23.855 -4.781 764 HG LEU 100 HG LEU 100 16.230 23.707 -4.051 765 1HD1 LEU 100 HD11 LEU 100 17.166 23.410 -6.291 766 2HD1 LEU 100 HD12 LEU 100 17.840 24.820 -5.476 767 3HD1 LEU 100 HD13 LEU 100 16.617 25.029 -6.729 768 1HD2 LEU 100 HD21 LEU 100 14.767 25.601 -3.545 769 2HD2 LEU 100 HD22 LEU 100 15.157 26.318 -5.109 770 3HD2 LEU 100 HD23 LEU 100 16.414 26.129 -3.886 771 H SER 101 HN SER 101 13.081 22.592 -3.727 772 HA SER 101 HA SER 101 14.320 20.774 -1.801 773 1HB SER 101 HB2 SER 101 12.599 21.928 -0.250 774 2HB SER 101 HB1 SER 101 13.973 22.883 -0.814 775 HG SER 101 HG SER 101 11.343 23.309 -1.186 776 H THR 102 HN THR 102 13.605 18.836 -2.762 777 HA THR 102 HA THR 102 10.752 18.283 -2.368 778 HB THR 102 HB THR 102 12.227 17.365 -4.841 779 HG1 THR 102 HG1 THR 102 10.809 19.742 -4.306 780 1HG2 THR 102 HG21 THR 102 9.280 17.513 -4.180 781 2HG2 THR 102 HG22 THR 102 10.261 16.047 -4.141 782 3HG2 THR 102 HG23 THR 102 9.983 16.887 -5.668 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -17.244 -3.084 2.928 2 2H GLY 1 HT2 GLY 1 -18.414 -2.529 4.020 3 3H GLY 1 HT3 GLY 1 -17.663 -1.441 2.959 4 1HA GLY 1 HA1 GLY 1 -18.681 -2.507 1.064 5 2HA GLY 1 HA2 GLY 1 -19.412 -3.694 2.132 6 H SER 2 HN SER 2 -20.950 -2.885 3.741 7 HA SER 2 HA SER 2 -22.185 -0.319 3.058 8 1HB SER 2 HB2 SER 2 -23.689 -2.940 3.303 9 2HB SER 2 HB1 SER 2 -24.430 -1.355 3.104 10 HG SER 2 HG SER 2 -22.619 -1.659 1.184 11 H GLU 3 HN GLU 3 -22.545 0.835 4.843 12 HA GLU 3 HA GLU 3 -23.454 -0.159 7.303 13 1HB GLU 3 HB2 GLU 3 -21.393 0.185 8.662 14 2HB GLU 3 HB1 GLU 3 -21.281 -1.178 7.560 15 1HG GLU 3 HG2 GLU 3 -20.028 0.277 5.985 16 2HG GLU 3 HG1 GLU 3 -20.031 1.535 7.219 17 H LYS 4 HN LYS 4 -21.441 2.286 5.734 18 HA LYS 4 HA LYS 4 -22.692 4.389 7.320 19 1HB LYS 4 HB2 LYS 4 -20.766 4.801 5.037 20 2HB LYS 4 HB1 LYS 4 -21.082 5.862 6.401 21 1HG LYS 4 HG2 LYS 4 -19.618 3.234 6.469 22 2HG LYS 4 HG1 LYS 4 -18.920 4.843 6.638 23 1HD LYS 4 HD2 LYS 4 -20.163 5.174 8.713 24 2HD LYS 4 HD1 LYS 4 -20.898 3.579 8.534 25 1HE LYS 4 HE2 LYS 4 -18.621 2.587 8.593 26 2HE LYS 4 HE1 LYS 4 -17.973 4.193 8.923 27 1HZ LYS 4 HZ1 LYS 4 -19.802 2.607 10.641 28 2HZ LYS 4 HZ2 LYS 4 -19.417 4.232 10.929 29 3HZ LYS 4 HZ3 LYS 4 -18.199 3.055 10.977 30 H ARG 5 HN ARG 5 -24.584 5.167 6.663 31 HA ARG 5 HA ARG 5 -26.060 4.163 4.614 32 1HB ARG 5 HB2 ARG 5 -26.892 5.515 6.518 33 2HB ARG 5 HB1 ARG 5 -26.336 6.965 5.696 34 1HG ARG 5 HG2 ARG 5 -28.661 6.787 5.291 35 2HG ARG 5 HG1 ARG 5 -27.846 6.348 3.788 36 1HD ARG 5 HD2 ARG 5 -29.630 4.789 4.167 37 2HD ARG 5 HD1 ARG 5 -28.096 3.953 4.424 38 HE ARG 5 HE ARG 5 -29.723 5.000 6.661 39 1HH1 ARG 5 HH11 ARG 5 -27.897 2.425 5.132 40 2HH1 ARG 5 HH12 ARG 5 -28.010 1.363 6.508 41 1HH2 ARG 5 HH21 ARG 5 -29.923 3.604 8.436 42 2HH2 ARG 5 HH22 ARG 5 -29.201 2.022 8.385 43 H GLN 6 HN GLN 6 -24.922 7.558 4.421 44 HA GLN 6 HA GLN 6 -24.822 7.171 1.502 45 1HB GLN 6 HB2 GLN 6 -25.198 9.500 1.213 46 2HB GLN 6 HB1 GLN 6 -26.368 8.947 2.402 47 1HG GLN 6 HG2 GLN 6 -25.071 9.888 4.190 48 2HG GLN 6 HG1 GLN 6 -23.778 10.326 3.073 49 1HE2 GLN 6 HE21 GLN 6 -24.111 12.024 1.607 50 2HE2 GLN 6 HE22 GLN 6 -25.354 13.203 1.863 51 H HIS 7 HN HIS 7 -22.930 7.340 4.192 52 HA HIS 7 HA HIS 7 -20.677 8.698 2.962 53 1HB HIS 7 HB2 HIS 7 -21.333 8.731 5.469 54 2HB HIS 7 HB1 HIS 7 -20.597 7.136 5.536 55 HD1 HIS 7 HD1 HIS 7 -19.411 9.307 7.240 56 HD2 HIS 7 HD2 HIS 7 -18.155 8.582 3.344 57 HE1 HIS 7 HE1 HIS 7 -17.074 10.224 7.102 58 HE2 HIS 7 HE2 HIS 7 -16.271 9.607 4.792 59 H SER 8 HN SER 8 -21.756 6.312 1.708 60 HA SER 8 HA SER 8 -19.854 4.189 2.086 61 1HB SER 8 HB2 SER 8 -21.771 4.694 -0.208 62 2HB SER 8 HB1 SER 8 -20.924 3.184 0.127 63 HG SER 8 HG SER 8 -22.385 4.175 2.250 64 H SER 9 HN SER 9 -18.172 5.957 1.978 65 HA SER 9 HA SER 9 -16.940 5.878 -0.658 66 1HB SER 9 HB2 SER 9 -18.310 8.121 -0.114 67 2HB SER 9 HB1 SER 9 -16.843 8.504 0.782 68 HG SER 9 HG SER 9 -15.653 8.203 -1.151 69 H GLN 10 HN GLN 10 -16.244 4.258 1.202 70 HA GLN 10 HA GLN 10 -14.642 4.991 3.326 71 1HB GLN 10 HB2 GLN 10 -14.186 2.551 1.597 72 2HB GLN 10 HB1 GLN 10 -13.808 2.737 3.306 73 1HG GLN 10 HG2 GLN 10 -16.201 2.911 3.811 74 2HG GLN 10 HG1 GLN 10 -16.568 2.703 2.103 75 1HE2 GLN 10 HE21 GLN 10 -14.028 0.972 3.799 76 2HE2 GLN 10 HE22 GLN 10 -14.769 -0.591 3.674 77 H ASP 11 HN ASP 11 -13.787 4.456 -0.036 78 HA ASP 11 HA ASP 11 -11.953 4.965 -1.296 79 1HB ASP 11 HB2 ASP 11 -12.383 7.488 0.312 80 2HB ASP 11 HB1 ASP 11 -11.464 7.397 -1.188 81 H VAL 12 HN VAL 12 -10.264 3.711 -0.730 82 HA VAL 12 HA VAL 12 -8.887 4.278 1.767 83 HB VAL 12 HB VAL 12 -9.623 1.986 1.391 84 1HG1 VAL 12 HG11 VAL 12 -9.443 1.938 -1.052 85 2HG1 VAL 12 HG12 VAL 12 -8.599 0.579 -0.311 86 3HG1 VAL 12 HG13 VAL 12 -7.686 1.959 -0.920 87 1HG2 VAL 12 HG21 VAL 12 -6.624 2.279 1.376 88 2HG2 VAL 12 HG22 VAL 12 -7.519 0.859 1.916 89 3HG2 VAL 12 HG23 VAL 12 -7.673 2.384 2.790 90 H HIS 13 HN HIS 13 -6.920 5.046 1.929 91 HA HIS 13 HA HIS 13 -5.154 4.994 -0.434 92 1HB HIS 13 HB2 HIS 13 -5.063 6.754 2.034 93 2HB HIS 13 HB1 HIS 13 -3.766 6.668 0.850 94 HD1 HIS 13 HD1 HIS 13 -6.689 8.550 1.684 95 HD2 HIS 13 HD2 HIS 13 -4.767 7.495 -1.850 96 HE1 HIS 13 HE1 HIS 13 -7.489 10.199 -0.042 97 HE2 HIS 13 HE2 HIS 13 -6.191 9.646 -2.131 98 H VAL 14 HN VAL 14 -3.985 3.172 -0.310 99 HA VAL 14 HA VAL 14 -3.423 2.107 2.364 100 HB VAL 14 HB VAL 14 -4.675 0.539 1.106 101 1HG1 VAL 14 HG11 VAL 14 -4.352 1.469 -1.112 102 2HG1 VAL 14 HG12 VAL 14 -4.030 -0.265 -1.105 103 3HG1 VAL 14 HG13 VAL 14 -2.690 0.880 -1.125 104 1HG2 VAL 14 HG21 VAL 14 -1.785 -0.287 0.939 105 2HG2 VAL 14 HG22 VAL 14 -3.176 -1.370 0.905 106 3HG2 VAL 14 HG23 VAL 14 -2.819 -0.435 2.359 107 H VAL 15 HN VAL 15 -1.445 1.807 3.089 108 HA VAL 15 HA VAL 15 0.787 2.681 1.432 109 HB VAL 15 HB VAL 15 0.663 1.982 4.372 110 1HG1 VAL 15 HG11 VAL 15 2.926 3.117 2.735 111 2HG1 VAL 15 HG12 VAL 15 2.872 1.526 3.497 112 3HG1 VAL 15 HG13 VAL 15 2.911 2.982 4.494 113 1HG2 VAL 15 HG21 VAL 15 -0.543 4.032 3.815 114 2HG2 VAL 15 HG22 VAL 15 0.887 4.657 2.994 115 3HG2 VAL 15 HG23 VAL 15 0.920 4.385 4.736 116 H LEU 16 HN LEU 16 1.970 1.367 0.367 117 HA LEU 16 HA LEU 16 2.143 -1.424 1.255 118 1HB LEU 16 HB2 LEU 16 1.146 -0.973 -1.010 119 2HB LEU 16 HB1 LEU 16 2.700 -0.320 -1.500 120 HG LEU 16 HG LEU 16 2.578 -3.064 -0.375 121 1HD1 LEU 16 HD11 LEU 16 1.871 -2.338 -3.212 122 2HD1 LEU 16 HD12 LEU 16 0.795 -3.071 -2.018 123 3HD1 LEU 16 HD13 LEU 16 2.189 -3.972 -2.623 124 1HD2 LEU 16 HD21 LEU 16 4.747 -2.048 -0.861 125 2HD2 LEU 16 HD22 LEU 16 4.255 -1.795 -2.535 126 3HD2 LEU 16 HD23 LEU 16 4.444 -3.433 -1.909 127 H LYS 17 HN LYS 17 4.092 -2.194 1.806 128 HA LYS 17 HA LYS 17 6.409 -0.468 1.256 129 1HB LYS 17 HB2 LYS 17 6.014 -2.216 3.708 130 2HB LYS 17 HB1 LYS 17 7.396 -1.188 3.366 131 1HG LYS 17 HG2 LYS 17 6.065 0.787 3.588 132 2HG LYS 17 HG1 LYS 17 4.592 -0.174 3.728 133 1HD LYS 17 HD2 LYS 17 5.441 -1.171 5.789 134 2HD LYS 17 HD1 LYS 17 6.910 -0.208 5.648 135 1HE LYS 17 HE2 LYS 17 4.132 0.930 5.868 136 2HE LYS 17 HE1 LYS 17 5.213 0.707 7.239 137 1HZ LYS 17 HZ1 LYS 17 5.419 2.930 6.594 138 2HZ LYS 17 HZ2 LYS 17 5.511 2.568 4.946 139 3HZ LYS 17 HZ3 LYS 17 6.802 2.190 5.974 140 H LEU 18 HN LEU 18 8.276 -1.467 0.608 141 HA LEU 18 HA LEU 18 7.968 -4.207 -0.383 142 1HB LEU 18 HB2 LEU 18 9.897 -1.963 -0.979 143 2HB LEU 18 HB1 LEU 18 10.107 -3.582 -1.607 144 HG LEU 18 HG LEU 18 7.574 -2.066 -2.147 145 1HD1 LEU 18 HD11 LEU 18 9.446 -0.604 -2.797 146 2HD1 LEU 18 HD12 LEU 18 8.565 -1.214 -4.199 147 3HD1 LEU 18 HD13 LEU 18 10.122 -1.918 -3.761 148 1HD2 LEU 18 HD21 LEU 18 9.104 -4.261 -3.540 149 2HD2 LEU 18 HD22 LEU 18 7.666 -3.475 -4.199 150 3HD2 LEU 18 HD23 LEU 18 7.554 -4.408 -2.705 151 H TRP 19 HN TRP 19 9.415 -5.810 0.193 152 HA TRP 19 HA TRP 19 11.250 -5.143 2.394 153 1HB TRP 19 HB2 TRP 19 9.544 -7.631 2.267 154 2HB TRP 19 HB1 TRP 19 10.551 -7.100 3.601 155 HD1 TRP 19 HD1 TRP 19 7.102 -7.067 2.403 156 HE1 TRP 19 HE1 TRP 19 5.653 -5.597 3.913 157 HE3 TRP 19 HE3 TRP 19 10.804 -4.490 4.808 158 HZ2 TRP 19 HZ2 TRP 19 6.009 -3.635 5.855 159 HZ3 TRP 19 HZ3 TRP 19 10.147 -2.781 6.455 160 HH2 TRP 19 HH2 TRP 19 7.804 -2.339 6.955 161 H LYS 20 HN LYS 20 12.429 -7.476 2.873 162 HA LYS 20 HA LYS 20 13.914 -7.999 0.506 163 1HB LYS 20 HB2 LYS 20 15.171 -9.619 1.909 164 2HB LYS 20 HB1 LYS 20 15.086 -8.010 2.606 165 1HG LYS 20 HG2 LYS 20 14.538 -9.092 4.482 166 2HG LYS 20 HG1 LYS 20 12.932 -9.196 3.760 167 1HD LYS 20 HD2 LYS 20 13.478 -11.396 2.844 168 2HD LYS 20 HD1 LYS 20 15.099 -11.289 3.542 169 1HE LYS 20 HE2 LYS 20 13.945 -10.997 5.787 170 2HE LYS 20 HE1 LYS 20 12.461 -11.490 4.974 171 1HZ LYS 20 HZ1 LYS 20 13.488 -13.590 4.413 172 2HZ LYS 20 HZ2 LYS 20 13.574 -13.336 6.084 173 3HZ LYS 20 HZ3 LYS 20 14.950 -13.103 5.123 174 H SER 21 HN SER 21 11.426 -9.700 2.313 175 HA SER 21 HA SER 21 11.565 -11.996 0.555 176 1HB SER 21 HB2 SER 21 9.782 -11.335 2.904 177 2HB SER 21 HB1 SER 21 9.613 -12.804 1.944 178 HG SER 21 HG SER 21 11.404 -13.594 2.780 179 H GLY 22 HN GLY 22 9.294 -9.358 1.257 180 1HA GLY 22 HA2 GLY 22 8.186 -9.544 -1.379 181 2HA GLY 22 HA1 GLY 22 7.104 -10.163 -0.141 182 H PHE 23 HN PHE 23 5.567 -8.686 0.140 183 HA PHE 23 HA PHE 23 6.360 -5.968 0.835 184 1HB PHE 23 HB2 PHE 23 4.920 -4.919 -0.797 185 2HB PHE 23 HB1 PHE 23 5.970 -6.041 -1.657 186 HD1 PHE 23 HD1 PHE 23 2.604 -5.145 -0.836 187 HD2 PHE 23 HD2 PHE 23 5.071 -8.259 -2.345 188 HE1 PHE 23 HE1 PHE 23 0.622 -6.263 -1.753 189 HE2 PHE 23 HE2 PHE 23 3.091 -9.382 -3.256 190 HZ PHE 23 HZ PHE 23 0.869 -8.386 -2.964 191 H SER 24 HN SER 24 4.658 -4.792 1.931 192 HA SER 24 HA SER 24 2.434 -6.510 2.839 193 1HB SER 24 HB2 SER 24 2.613 -5.507 5.064 194 2HB SER 24 HB1 SER 24 4.150 -6.235 4.610 195 HG SER 24 HG SER 24 4.942 -4.343 5.062 196 H LEU 25 HN LEU 25 0.454 -5.548 3.122 197 HA LEU 25 HA LEU 25 0.227 -2.799 2.083 198 1HB LEU 25 HB2 LEU 25 -2.059 -4.741 2.057 199 2HB LEU 25 HB1 LEU 25 -1.810 -3.322 1.063 200 HG LEU 25 HG LEU 25 0.190 -4.747 0.115 201 1HD1 LEU 25 HD11 LEU 25 -0.409 -7.134 -0.023 202 2HD1 LEU 25 HD12 LEU 25 -1.679 -6.849 1.163 203 3HD1 LEU 25 HD13 LEU 25 0.008 -6.610 1.608 204 1HD2 LEU 25 HD21 LEU 25 -1.370 -5.644 -1.616 205 2HD2 LEU 25 HD22 LEU 25 -1.539 -3.922 -1.286 206 3HD2 LEU 25 HD23 LEU 25 -2.703 -5.062 -0.624 207 H ASP 26 HN ASP 26 -2.470 -2.426 2.842 208 HA ASP 26 HA ASP 26 -2.211 -2.093 5.707 209 1HB ASP 26 HB2 ASP 26 -3.228 -0.355 4.167 210 2HB ASP 26 HB1 ASP 26 -4.602 -1.435 3.973 211 H ASN 27 HN ASN 27 -3.803 -4.124 3.425 212 HA ASN 27 HA ASN 27 -5.776 -5.200 5.203 213 1HB ASN 27 HB2 ASN 27 -6.339 -6.690 3.368 214 2HB ASN 27 HB1 ASN 27 -6.096 -5.065 2.728 215 1HD2 ASN 27 HD21 ASN 27 -4.303 -4.646 1.450 216 2HD2 ASN 27 HD22 ASN 27 -3.292 -5.892 0.800 217 H GLY 28 HN GLY 28 -2.490 -5.952 4.408 218 1HA GLY 28 HA2 GLY 28 -2.554 -8.308 6.107 219 2HA GLY 28 HA1 GLY 28 -2.208 -8.600 4.411 220 H GLU 29 HN GLU 29 -0.445 -9.383 6.204 221 HA GLU 29 HA GLU 29 1.544 -7.391 6.784 222 1HB GLU 29 HB2 GLU 29 1.614 -10.402 7.081 223 2HB GLU 29 HB1 GLU 29 2.778 -9.280 7.770 224 1HG GLU 29 HG2 GLU 29 1.236 -8.438 9.308 225 2HG GLU 29 HG1 GLU 29 -0.137 -9.102 8.422 226 H LEU 30 HN LEU 30 3.897 -8.723 6.390 227 HA LEU 30 HA LEU 30 4.554 -8.231 3.703 228 1HB LEU 30 HB2 LEU 30 6.076 -8.103 5.650 229 2HB LEU 30 HB1 LEU 30 6.011 -9.830 5.828 230 HG LEU 30 HG LEU 30 7.425 -8.202 3.737 231 1HD1 LEU 30 HD11 LEU 30 8.273 -10.184 5.798 232 2HD1 LEU 30 HD12 LEU 30 8.766 -8.500 5.600 233 3HD1 LEU 30 HD13 LEU 30 9.305 -9.719 4.448 234 1HD2 LEU 30 HD21 LEU 30 6.975 -11.163 3.625 235 2HD2 LEU 30 HD22 LEU 30 8.085 -10.247 2.608 236 3HD2 LEU 30 HD23 LEU 30 6.349 -9.962 2.497 237 H ARG 31 HN ARG 31 3.823 -9.413 2.049 238 HA ARG 31 HA ARG 31 3.823 -12.352 2.296 239 1HB ARG 31 HB2 ARG 31 2.621 -10.724 0.054 240 2HB ARG 31 HB1 ARG 31 2.391 -12.434 0.371 241 1HG ARG 31 HG2 ARG 31 1.251 -11.761 2.520 242 2HG ARG 31 HG1 ARG 31 1.281 -10.103 1.902 243 1HD ARG 31 HD2 ARG 31 0.151 -10.990 -0.177 244 2HD ARG 31 HD1 ARG 31 -0.067 -12.506 0.694 245 HE ARG 31 HE ARG 31 -1.116 -10.105 1.962 246 1HH1 ARG 31 HH11 ARG 31 -1.658 -13.086 0.248 247 2HH1 ARG 31 HH12 ARG 31 -3.389 -13.041 0.425 248 1HH2 ARG 31 HH21 ARG 31 -3.414 -10.008 2.206 249 2HH2 ARG 31 HH22 ARG 31 -4.392 -11.263 1.512 250 H SER 32 HN SER 32 5.344 -13.475 1.187 251 HA SER 32 HA SER 32 7.469 -11.982 -0.021 252 1HB SER 32 HB2 SER 32 7.153 -14.989 0.033 253 2HB SER 32 HB1 SER 32 8.646 -14.061 -0.150 254 HG SER 32 HG SER 32 7.194 -14.650 2.129 255 H TYR 33 HN TYR 33 8.119 -11.907 -2.132 256 HA TYR 33 HA TYR 33 6.053 -11.468 -3.920 257 1HB TYR 33 HB2 TYR 33 8.948 -11.956 -4.630 258 2HB TYR 33 HB1 TYR 33 7.757 -11.150 -5.641 259 HD1 TYR 33 HD1 TYR 33 10.473 -10.595 -3.625 260 HD2 TYR 33 HD2 TYR 33 6.539 -9.087 -4.254 261 HE1 TYR 33 HE1 TYR 33 11.147 -8.447 -2.633 262 HE2 TYR 33 HE2 TYR 33 7.199 -6.934 -3.257 263 HH TYR 33 HH TYR 33 8.905 -6.079 -1.719 264 H GLN 34 HN GLN 34 7.817 -14.439 -3.412 265 HA GLN 34 HA GLN 34 7.215 -15.601 -5.948 266 1HB GLN 34 HB2 GLN 34 8.056 -16.851 -3.341 267 2HB GLN 34 HB1 GLN 34 7.898 -17.741 -4.851 268 1HG GLN 34 HG2 GLN 34 9.577 -16.190 -5.853 269 2HG GLN 34 HG1 GLN 34 9.814 -15.504 -4.247 270 1HE2 GLN 34 HE21 GLN 34 11.712 -16.857 -5.953 271 2HE2 GLN 34 HE22 GLN 34 12.293 -18.226 -5.060 272 H ASP 35 HN ASP 35 5.543 -15.488 -2.888 273 HA ASP 35 HA ASP 35 3.786 -17.636 -3.226 274 1HB ASP 35 HB2 ASP 35 3.780 -16.720 -1.083 275 2HB ASP 35 HB1 ASP 35 3.619 -15.075 -1.681 276 HA PRO 36 HA PRO 36 1.525 -16.306 -6.751 277 1HB PRO 36 HB2 PRO 36 -0.425 -18.393 -6.137 278 2HB PRO 36 HB1 PRO 36 0.713 -18.283 -7.481 279 1HG PRO 36 HG2 PRO 36 0.987 -20.086 -5.485 280 2HG PRO 36 HG1 PRO 36 2.374 -19.385 -6.339 281 1HD PRO 36 HD2 PRO 36 1.243 -18.684 -3.658 282 2HD PRO 36 HD1 PRO 36 2.939 -18.826 -4.168 283 H SER 37 HN SER 37 0.314 -15.992 -3.597 284 HA SER 37 HA SER 37 -2.343 -15.199 -4.489 285 1HB SER 37 HB2 SER 37 -1.958 -16.535 -2.358 286 2HB SER 37 HB1 SER 37 -1.265 -15.067 -1.669 287 HG SER 37 HG SER 37 -3.789 -14.916 -2.887 288 H ASN 38 HN ASN 38 0.636 -13.795 -3.223 289 HA ASN 38 HA ASN 38 -0.504 -11.124 -3.354 290 1HB ASN 38 HB2 ASN 38 1.609 -10.302 -2.574 291 2HB ASN 38 HB1 ASN 38 1.145 -11.681 -1.593 292 1HD2 ASN 38 HD21 ASN 38 2.342 -13.505 -1.645 293 2HD2 ASN 38 HD22 ASN 38 3.908 -13.569 -2.378 294 H ALA 39 HN ALA 39 1.240 -13.271 -5.328 295 HA ALA 39 HA ALA 39 2.356 -11.669 -7.267 296 1HB ALA 39 HB1 ALA 39 0.696 -14.139 -7.762 297 2HB ALA 39 HB2 ALA 39 2.408 -14.123 -7.332 298 3HB ALA 39 HB3 ALA 39 1.875 -13.438 -8.868 299 H GLN 40 HN GLN 40 -1.030 -12.321 -6.655 300 HA GLN 40 HA GLN 40 -2.285 -11.160 -8.823 301 1HB GLN 40 HB2 GLN 40 -3.576 -12.262 -7.140 302 2HB GLN 40 HB1 GLN 40 -2.997 -11.169 -5.890 303 1HG GLN 40 HG2 GLN 40 -4.168 -9.485 -7.726 304 2HG GLN 40 HG1 GLN 40 -5.228 -10.896 -7.717 305 1HE2 GLN 40 HE21 GLN 40 -3.898 -8.297 -5.830 306 2HE2 GLN 40 HE22 GLN 40 -4.988 -8.431 -4.480 307 H PHE 41 HN PHE 41 -1.288 -9.567 -5.796 308 HA PHE 41 HA PHE 41 -1.986 -6.937 -6.450 309 1HB PHE 41 HB2 PHE 41 0.393 -7.812 -4.795 310 2HB PHE 41 HB1 PHE 41 -0.395 -6.239 -4.743 311 HD1 PHE 41 HD1 PHE 41 -2.757 -6.122 -3.848 312 HD2 PHE 41 HD2 PHE 41 -0.279 -9.542 -3.504 313 HE1 PHE 41 HE1 PHE 41 -4.161 -6.945 -2.003 314 HE2 PHE 41 HE2 PHE 41 -1.686 -10.394 -1.663 315 HZ PHE 41 HZ PHE 41 -3.628 -9.083 -0.909 316 H LEU 42 HN LEU 42 1.158 -8.521 -6.602 317 HA LEU 42 HA LEU 42 2.795 -6.630 -7.585 318 1HB LEU 42 HB2 LEU 42 2.599 -9.540 -7.906 319 2HB LEU 42 HB1 LEU 42 3.627 -8.738 -9.066 320 HG LEU 42 HG LEU 42 4.756 -7.695 -7.027 321 1HD1 LEU 42 HD11 LEU 42 4.568 -8.877 -4.948 322 2HD1 LEU 42 HD12 LEU 42 3.351 -9.944 -5.650 323 3HD1 LEU 42 HD13 LEU 42 3.003 -8.229 -5.440 324 1HD2 LEU 42 HD21 LEU 42 4.966 -10.670 -7.425 325 2HD2 LEU 42 HD22 LEU 42 6.188 -9.637 -6.686 326 3HD2 LEU 42 HD23 LEU 42 5.789 -9.447 -8.393 327 H GLU 43 HN GLU 43 1.183 -8.909 -9.748 328 HA GLU 43 HA GLU 43 1.917 -7.567 -12.095 329 1HB GLU 43 HB2 GLU 43 -0.255 -9.593 -11.595 330 2HB GLU 43 HB1 GLU 43 0.206 -9.026 -13.194 331 1HG GLU 43 HG2 GLU 43 2.041 -10.402 -11.248 332 2HG GLU 43 HG1 GLU 43 1.244 -11.172 -12.620 333 H SER 44 HN SER 44 -1.236 -7.556 -10.370 334 HA SER 44 HA SER 44 -2.513 -5.941 -12.280 335 1HB SER 44 HB2 SER 44 -3.109 -6.287 -9.335 336 2HB SER 44 HB1 SER 44 -4.189 -5.523 -10.503 337 HG SER 44 HG SER 44 -3.625 -7.738 -11.642 338 H ILE 45 HN ILE 45 -0.559 -5.139 -9.460 339 HA ILE 45 HA ILE 45 -1.277 -2.372 -9.447 340 HB ILE 45 HB ILE 45 1.075 -3.798 -8.193 341 1HG1 ILE 45 HG12 ILE 45 -1.513 -2.737 -7.035 342 2HG1 ILE 45 HG11 ILE 45 -1.110 -4.434 -7.278 343 1HG2 ILE 45 HG21 ILE 45 1.384 -1.783 -6.831 344 2HG2 ILE 45 HG22 ILE 45 0.158 -0.956 -7.793 345 3HG2 ILE 45 HG23 ILE 45 1.670 -1.472 -8.544 346 1HD1 ILE 45 HD11 ILE 45 0.667 -4.264 -5.640 347 2HD1 ILE 45 HD12 ILE 45 -0.871 -3.749 -4.946 348 3HD1 ILE 45 HD13 ILE 45 0.330 -2.546 -5.427 349 H ARG 46 HN ARG 46 1.414 -4.198 -10.878 350 HA ARG 46 HA ARG 46 2.707 -1.845 -11.866 351 1HB ARG 46 HB2 ARG 46 4.062 -3.442 -13.241 352 2HB ARG 46 HB1 ARG 46 4.094 -3.748 -11.512 353 1HG ARG 46 HG2 ARG 46 2.396 -5.523 -11.850 354 2HG ARG 46 HG1 ARG 46 2.529 -5.261 -13.589 355 1HD ARG 46 HD2 ARG 46 3.887 -7.172 -12.631 356 2HD ARG 46 HD1 ARG 46 4.768 -6.012 -13.630 357 HE ARG 46 HE ARG 46 5.280 -4.983 -11.282 358 1HH1 ARG 46 HH11 ARG 46 5.068 -8.413 -12.007 359 2HH1 ARG 46 HH12 ARG 46 6.336 -8.840 -10.890 360 1HH2 ARG 46 HH21 ARG 46 6.889 -5.549 -9.809 361 2HH2 ARG 46 HH22 ARG 46 7.377 -7.215 -9.645 362 H ARG 47 HN ARG 47 0.258 -4.028 -13.145 363 HA ARG 47 HA ARG 47 0.326 -3.008 -15.797 364 1HB ARG 47 HB2 ARG 47 -1.975 -4.277 -14.327 365 2HB ARG 47 HB1 ARG 47 -1.913 -3.992 -16.055 366 1HG ARG 47 HG2 ARG 47 -0.310 -5.931 -14.428 367 2HG ARG 47 HG1 ARG 47 -1.430 -6.266 -15.745 368 1HD ARG 47 HD2 ARG 47 1.263 -4.943 -15.935 369 2HD ARG 47 HD1 ARG 47 0.824 -6.543 -16.524 370 HE ARG 47 HE ARG 47 -0.869 -4.753 -17.794 371 1HH1 ARG 47 HH11 ARG 47 2.559 -5.434 -17.624 372 2HH1 ARG 47 HH12 ARG 47 2.903 -4.772 -19.191 373 1HH2 ARG 47 HH21 ARG 47 -0.415 -3.857 -19.862 374 2HH2 ARG 47 HH22 ARG 47 1.226 -3.837 -20.438 375 H GLY 48 HN GLY 48 -1.383 -2.078 -12.881 376 1HA GLY 48 HA2 GLY 48 -1.921 0.313 -12.653 377 2HA GLY 48 HA1 GLY 48 -2.442 0.270 -14.334 378 H GLU 49 HN GLU 49 -3.241 -2.551 -12.751 379 HA GLU 49 HA GLU 49 -6.052 -1.850 -12.666 380 1HB GLU 49 HB2 GLU 49 -4.598 -4.449 -12.171 381 2HB GLU 49 HB1 GLU 49 -6.344 -4.261 -12.127 382 1HG GLU 49 HG2 GLU 49 -6.376 -3.658 -14.464 383 2HG GLU 49 HG1 GLU 49 -4.614 -3.733 -14.527 384 H VAL 50 HN VAL 50 -7.146 -3.147 -10.679 385 HA VAL 50 HA VAL 50 -5.909 -1.963 -8.284 386 HB VAL 50 HB VAL 50 -8.832 -2.340 -8.946 387 1HG1 VAL 50 HG11 VAL 50 -8.384 -2.795 -6.585 388 2HG1 VAL 50 HG12 VAL 50 -9.309 -1.307 -6.798 389 3HG1 VAL 50 HG13 VAL 50 -7.584 -1.231 -6.438 390 1HG2 VAL 50 HG21 VAL 50 -7.818 -0.441 -10.079 391 2HG2 VAL 50 HG22 VAL 50 -7.182 0.155 -8.545 392 3HG2 VAL 50 HG23 VAL 50 -8.923 0.108 -8.820 393 HA PRO 51 HA PRO 51 -5.998 -6.157 -6.668 394 1HB PRO 51 HB2 PRO 51 -5.182 -4.921 -4.141 395 2HB PRO 51 HB1 PRO 51 -4.294 -6.049 -5.168 396 1HG PRO 51 HG2 PRO 51 -3.567 -3.483 -4.888 397 2HG PRO 51 HG1 PRO 51 -3.336 -4.377 -6.402 398 1HD PRO 51 HD2 PRO 51 -5.493 -2.426 -5.659 399 2HD PRO 51 HD1 PRO 51 -4.563 -2.534 -7.172 400 H ALA 52 HN ALA 52 -7.615 -7.237 -5.704 401 HA ALA 52 HA ALA 52 -10.030 -5.925 -5.149 402 1HB ALA 52 HB1 ALA 52 -9.213 -8.760 -4.525 403 2HB ALA 52 HB2 ALA 52 -9.935 -8.190 -6.029 404 3HB ALA 52 HB3 ALA 52 -10.866 -8.144 -4.532 405 H GLU 53 HN GLU 53 -7.460 -7.052 -3.097 406 HA GLU 53 HA GLU 53 -8.662 -7.046 -0.601 407 1HB GLU 53 HB2 GLU 53 -5.888 -6.186 -1.428 408 2HB GLU 53 HB1 GLU 53 -6.377 -6.392 0.244 409 1HG GLU 53 HG2 GLU 53 -5.118 -8.299 -0.602 410 2HG GLU 53 HG1 GLU 53 -6.753 -8.754 -0.120 411 H LEU 54 HN LEU 54 -7.339 -4.366 -2.473 412 HA LEU 54 HA LEU 54 -7.840 -2.467 -0.333 413 1HB LEU 54 HB2 LEU 54 -7.004 -1.619 -3.067 414 2HB LEU 54 HB1 LEU 54 -6.517 -0.995 -1.503 415 HG LEU 54 HG LEU 54 -5.593 -3.602 -2.676 416 1HD1 LEU 54 HD11 LEU 54 -3.467 -2.435 -3.002 417 2HD1 LEU 54 HD12 LEU 54 -4.199 -0.942 -2.408 418 3HD1 LEU 54 HD13 LEU 54 -4.770 -1.664 -3.910 419 1HD2 LEU 54 HD21 LEU 54 -5.585 -3.673 -0.266 420 2HD2 LEU 54 HD22 LEU 54 -4.823 -2.086 -0.184 421 3HD2 LEU 54 HD23 LEU 54 -3.925 -3.464 -0.828 422 H ARG 55 HN ARG 55 -9.059 -3.375 -3.486 423 HA ARG 55 HA ARG 55 -10.927 -1.298 -3.841 424 1HB ARG 55 HB2 ARG 55 -10.246 -2.999 -5.560 425 2HB ARG 55 HB1 ARG 55 -11.241 -4.175 -4.714 426 1HG ARG 55 HG2 ARG 55 -12.493 -3.356 -6.556 427 2HG ARG 55 HG1 ARG 55 -13.206 -2.674 -5.094 428 1HD ARG 55 HD2 ARG 55 -12.052 -0.582 -5.472 429 2HD ARG 55 HD1 ARG 55 -11.259 -1.251 -6.901 430 HE ARG 55 HE ARG 55 -14.097 -1.449 -7.096 431 1HH1 ARG 55 HH11 ARG 55 -11.466 0.843 -7.419 432 2HH1 ARG 55 HH12 ARG 55 -12.312 1.853 -8.548 433 1HH2 ARG 55 HH21 ARG 55 -15.209 -0.133 -8.556 434 2HH2 ARG 55 HH22 ARG 55 -14.451 1.292 -9.210 435 H ARG 56 HN ARG 56 -11.153 -4.421 -2.223 436 HA ARG 56 HA ARG 56 -13.813 -3.903 -1.246 437 1HB ARG 56 HB2 ARG 56 -12.973 -6.180 -1.896 438 2HB ARG 56 HB1 ARG 56 -11.905 -6.127 -0.504 439 1HG ARG 56 HG2 ARG 56 -13.811 -7.441 0.053 440 2HG ARG 56 HG1 ARG 56 -13.904 -5.925 0.948 441 1HD ARG 56 HD2 ARG 56 -15.305 -6.300 -1.679 442 2HD ARG 56 HD1 ARG 56 -16.041 -6.801 -0.161 443 HE ARG 56 HE ARG 56 -15.416 -4.252 0.362 444 1HH1 ARG 56 HH11 ARG 56 -16.957 -5.694 -2.437 445 2HH1 ARG 56 HH12 ARG 56 -17.974 -4.319 -2.739 446 1HH2 ARG 56 HH21 ARG 56 -16.744 -2.445 -0.031 447 2HH2 ARG 56 HH22 ARG 56 -17.872 -2.478 -1.360 448 H LEU 57 HN LEU 57 -11.113 -2.459 -0.502 449 HA LEU 57 HA LEU 57 -11.646 -2.380 2.396 450 1HB LEU 57 HB2 LEU 57 -9.300 -2.810 1.724 451 2HB LEU 57 HB1 LEU 57 -9.286 -1.284 0.864 452 HG LEU 57 HG LEU 57 -9.397 -0.031 2.882 453 1HD1 LEU 57 HD11 LEU 57 -9.653 -1.044 5.077 454 2HD1 LEU 57 HD12 LEU 57 -9.804 -2.640 4.343 455 3HD1 LEU 57 HD13 LEU 57 -11.044 -1.418 4.061 456 1HD2 LEU 57 HD21 LEU 57 -7.549 -2.374 3.257 457 2HD2 LEU 57 HD22 LEU 57 -7.411 -0.814 4.068 458 3HD2 LEU 57 HD23 LEU 57 -7.207 -0.921 2.320 459 H ALA 58 HN ALA 58 -11.289 -0.512 -0.545 460 HA ALA 58 HA ALA 58 -12.711 1.791 0.477 461 1HB ALA 58 HB1 ALA 58 -12.147 0.892 -2.355 462 2HB ALA 58 HB2 ALA 58 -11.187 2.048 -1.429 463 3HB ALA 58 HB3 ALA 58 -12.843 2.444 -1.897 464 H HIS 59 HN HIS 59 -14.775 2.354 -0.745 465 HA HIS 59 HA HIS 59 -16.724 0.305 -0.274 466 1HB HIS 59 HB2 HIS 59 -18.385 1.927 -0.839 467 2HB HIS 59 HB1 HIS 59 -17.127 2.790 0.036 468 HD1 HIS 59 HD1 HIS 59 -18.869 2.640 -3.242 469 HD2 HIS 59 HD2 HIS 59 -15.551 4.546 -1.599 470 HE1 HIS 59 HE1 HIS 59 -18.279 4.487 -4.840 471 HE2 HIS 59 HE2 HIS 59 -16.191 5.545 -3.896 472 H GLY 60 HN GLY 60 -14.690 -0.151 -2.451 473 1HA GLY 60 HA2 GLY 60 -14.632 -0.901 -4.632 474 2HA GLY 60 HA1 GLY 60 -16.394 -0.813 -4.659 475 H GLY 61 HN GLY 61 -14.054 1.715 -3.928 476 1HA GLY 61 HA2 GLY 61 -14.709 3.084 -6.420 477 2HA GLY 61 HA1 GLY 61 -15.028 3.925 -4.912 478 H GLN 62 HN GLN 62 -13.509 5.419 -4.580 479 HA GLN 62 HA GLN 62 -11.006 5.565 -5.709 480 1HB GLN 62 HB2 GLN 62 -12.164 7.382 -4.540 481 2HB GLN 62 HB1 GLN 62 -11.888 6.574 -3.008 482 1HG GLN 62 HG2 GLN 62 -9.454 6.782 -3.361 483 2HG GLN 62 HG1 GLN 62 -9.774 7.696 -4.834 484 1HE2 GLN 62 HE21 GLN 62 -12.080 9.069 -3.716 485 2HE2 GLN 62 HE22 GLN 62 -11.449 10.247 -2.618 486 H VAL 63 HN VAL 63 -9.523 4.053 -5.637 487 HA VAL 63 HA VAL 63 -8.644 3.064 -3.032 488 HB VAL 63 HB VAL 63 -9.993 1.257 -3.778 489 1HG1 VAL 63 HG11 VAL 63 -8.629 1.487 -6.457 490 2HG1 VAL 63 HG12 VAL 63 -10.303 1.902 -6.092 491 3HG1 VAL 63 HG13 VAL 63 -9.769 0.224 -5.998 492 1HG2 VAL 63 HG21 VAL 63 -7.820 0.585 -2.910 493 2HG2 VAL 63 HG22 VAL 63 -7.139 0.647 -4.536 494 3HG2 VAL 63 HG23 VAL 63 -8.381 -0.542 -4.143 495 H ASN 64 HN ASN 64 -6.663 4.044 -2.983 496 HA ASN 64 HA ASN 64 -4.859 3.444 -5.217 497 1HB ASN 64 HB2 ASN 64 -5.826 5.821 -5.172 498 2HB ASN 64 HB1 ASN 64 -4.794 6.066 -3.773 499 1HD2 ASN 64 HD21 ASN 64 -3.961 3.982 -6.465 500 2HD2 ASN 64 HD22 ASN 64 -2.644 4.954 -7.049 501 H LEU 65 HN LEU 65 -2.563 3.654 -4.630 502 HA LEU 65 HA LEU 65 -2.070 3.210 -1.781 503 1HB LEU 65 HB2 LEU 65 -1.029 1.182 -2.116 504 2HB LEU 65 HB1 LEU 65 -2.360 1.104 -3.238 505 HG LEU 65 HG LEU 65 0.304 2.051 -4.191 506 1HD1 LEU 65 HD11 LEU 65 0.775 -0.016 -2.990 507 2HD1 LEU 65 HD12 LEU 65 0.861 -0.292 -4.731 508 3HD1 LEU 65 HD13 LEU 65 -0.554 -0.823 -3.821 509 1HD2 LEU 65 HD21 LEU 65 -0.529 0.958 -6.255 510 2HD2 LEU 65 HD22 LEU 65 -1.584 2.248 -5.676 511 3HD2 LEU 65 HD23 LEU 65 -2.019 0.562 -5.396 512 H ASP 66 HN ASP 66 0.193 3.289 -1.217 513 HA ASP 66 HA ASP 66 1.918 4.649 -3.175 514 1HB ASP 66 HB2 ASP 66 1.634 5.215 -0.214 515 2HB ASP 66 HB1 ASP 66 3.066 5.689 -1.117 516 H MET 67 HN MET 67 4.039 3.876 -3.257 517 HA MET 67 HA MET 67 4.434 1.412 -1.704 518 1HB MET 67 HB2 MET 67 5.311 2.119 -4.492 519 2HB MET 67 HB1 MET 67 6.045 0.798 -3.593 520 1HG MET 67 HG2 MET 67 3.816 -0.228 -3.340 521 2HG MET 67 HG1 MET 67 3.142 1.055 -4.341 522 1HE MET 67 HE1 MET 67 4.662 0.377 -7.828 523 2HE MET 67 HE2 MET 67 5.199 1.535 -6.610 524 3HE MET 67 HE3 MET 67 3.475 1.289 -6.895 525 H GLU 68 HN GLU 68 5.946 1.377 -0.279 526 HA GLU 68 HA GLU 68 8.143 3.330 -0.366 527 1HB GLU 68 HB2 GLU 68 6.952 1.669 1.848 528 2HB GLU 68 HB1 GLU 68 8.480 2.511 2.025 529 1HG GLU 68 HG2 GLU 68 7.345 4.638 1.661 530 2HG GLU 68 HG1 GLU 68 5.811 3.780 1.478 531 H ASP 69 HN ASP 69 10.279 2.576 0.094 532 HA ASP 69 HA ASP 69 10.653 -0.274 -0.504 533 1HB ASP 69 HB2 ASP 69 11.689 1.013 -2.201 534 2HB ASP 69 HB1 ASP 69 12.411 2.114 -1.033 535 H HIS 70 HN HIS 70 11.077 -1.448 1.195 536 HA HIS 70 HA HIS 70 13.084 -0.534 3.135 537 1HB HIS 70 HB2 HIS 70 10.453 -1.841 3.874 538 2HB HIS 70 HB1 HIS 70 11.788 -1.564 4.983 539 HD1 HIS 70 HD1 HIS 70 12.204 0.895 5.754 540 HD2 HIS 70 HD2 HIS 70 8.849 0.352 3.352 541 HE1 HIS 70 HE1 HIS 70 10.771 2.929 6.119 542 HE2 HIS 70 HE2 HIS 70 8.838 2.683 4.509 543 H ARG 71 HN ARG 71 13.462 -2.166 0.932 544 HA ARG 71 HA ARG 71 13.146 -4.904 1.660 545 1HB ARG 71 HB2 ARG 71 14.836 -3.719 -0.544 546 2HB ARG 71 HB1 ARG 71 14.321 -5.400 -0.394 547 1HG ARG 71 HG2 ARG 71 11.966 -4.643 -0.536 548 2HG ARG 71 HG1 ARG 71 12.547 -3.006 -0.835 549 1HD ARG 71 HD2 ARG 71 11.947 -4.133 -2.917 550 2HD ARG 71 HD1 ARG 71 13.680 -3.784 -2.859 551 HE ARG 71 HE ARG 71 13.077 -6.388 -1.873 552 1HH1 ARG 71 HH11 ARG 71 13.475 -4.564 -4.841 553 2HH1 ARG 71 HH12 ARG 71 13.985 -5.941 -5.764 554 1HH2 ARG 71 HH21 ARG 71 13.734 -8.187 -3.072 555 2HH2 ARG 71 HH22 ARG 71 14.142 -8.010 -4.754 556 H ASP 72 HN ASP 72 14.654 -6.323 2.377 557 HA ASP 72 HA ASP 72 16.371 -7.085 3.626 558 1HB ASP 72 HB2 ASP 72 17.776 -5.895 1.900 559 2HB ASP 72 HB1 ASP 72 17.864 -4.540 3.016 560 H GLU 73 HN GLU 73 14.573 -4.407 4.271 561 HA GLU 73 HA GLU 73 15.687 -3.731 6.856 562 1HB GLU 73 HB2 GLU 73 14.465 -2.103 5.366 563 2HB GLU 73 HB1 GLU 73 12.996 -2.999 5.690 564 1HG GLU 73 HG2 GLU 73 13.051 -1.059 7.068 565 2HG GLU 73 HG1 GLU 73 13.238 -2.492 8.080 566 H ASP 74 HN ASP 74 13.225 -5.749 5.513 567 HA ASP 74 HA ASP 74 12.047 -7.501 6.318 568 1HB ASP 74 HB2 ASP 74 13.500 -6.856 8.872 569 2HB ASP 74 HB1 ASP 74 12.185 -8.027 8.846 570 H PHE 75 HN PHE 75 10.135 -7.931 7.654 571 HA PHE 75 HA PHE 75 8.322 -5.906 7.015 572 1HB PHE 75 HB2 PHE 75 7.623 -8.150 6.870 573 2HB PHE 75 HB1 PHE 75 8.077 -8.478 8.534 574 HD1 PHE 75 HD1 PHE 75 6.407 -8.620 10.083 575 HD2 PHE 75 HD2 PHE 75 5.791 -6.237 6.614 576 HE1 PHE 75 HE1 PHE 75 4.091 -8.202 10.790 577 HE2 PHE 75 HE2 PHE 75 3.473 -5.821 7.302 578 HZ PHE 75 HZ PHE 75 2.621 -6.800 9.400 579 H VAL 76 HN VAL 76 7.756 -4.151 8.032 580 HA VAL 76 HA VAL 76 7.048 -4.246 10.842 581 HB VAL 76 HB VAL 76 8.144 -1.988 11.246 582 1HG1 VAL 76 HG11 VAL 76 9.039 -4.034 12.218 583 2HG1 VAL 76 HG12 VAL 76 10.332 -2.919 11.782 584 3HG1 VAL 76 HG13 VAL 76 9.995 -4.318 10.763 585 1HG2 VAL 76 HG21 VAL 76 8.620 -1.352 8.960 586 2HG2 VAL 76 HG22 VAL 76 9.693 -2.739 8.770 587 3HG2 VAL 76 HG23 VAL 76 10.120 -1.439 9.885 588 H LYS 77 HN LYS 77 4.852 -3.898 10.368 589 HA LYS 77 HA LYS 77 4.240 -1.194 10.334 590 1HB LYS 77 HB2 LYS 77 4.505 -1.079 8.027 591 2HB LYS 77 HB1 LYS 77 3.604 -2.545 7.748 592 1HG LYS 77 HG2 LYS 77 1.770 -0.919 9.011 593 2HG LYS 77 HG1 LYS 77 2.696 0.209 8.022 594 1HD LYS 77 HD2 LYS 77 1.192 -2.237 7.108 595 2HD LYS 77 HD1 LYS 77 0.847 -0.552 6.719 596 1HE LYS 77 HE2 LYS 77 2.902 -0.387 5.458 597 2HE LYS 77 HE1 LYS 77 3.345 -2.032 5.915 598 1HZ LYS 77 HZ1 LYS 77 2.450 -2.262 3.807 599 2HZ LYS 77 HZ2 LYS 77 1.226 -1.128 4.076 600 3HZ LYS 77 HZ3 LYS 77 1.138 -2.656 4.805 601 HA PRO 78 HA PRO 78 -0.062 -3.115 10.901 602 1HB PRO 78 HB2 PRO 78 0.073 -5.867 9.911 603 2HB PRO 78 HB1 PRO 78 -1.085 -4.593 9.508 604 1HG PRO 78 HG2 PRO 78 0.748 -5.450 7.749 605 2HG PRO 78 HG1 PRO 78 0.252 -3.747 7.830 606 1HD PRO 78 HD2 PRO 78 2.704 -5.037 8.979 607 2HD PRO 78 HD1 PRO 78 2.540 -3.524 8.094 608 H LYS 79 HN LYS 79 2.754 -4.252 12.001 609 HA LYS 79 HA LYS 79 1.720 -6.499 13.518 610 1HB LYS 79 HB2 LYS 79 4.070 -6.801 14.270 611 2HB LYS 79 HB1 LYS 79 3.860 -6.887 12.531 612 1HG LYS 79 HG2 LYS 79 5.005 -4.923 12.150 613 2HG LYS 79 HG1 LYS 79 4.684 -4.302 13.781 614 1HD LYS 79 HD2 LYS 79 6.140 -6.165 14.658 615 2HD LYS 79 HD1 LYS 79 6.586 -6.504 12.987 616 1HE LYS 79 HE2 LYS 79 7.527 -4.288 12.757 617 2HE LYS 79 HE1 LYS 79 6.991 -3.864 14.382 618 1HZ LYS 79 HZ1 LYS 79 8.927 -6.035 13.762 619 2HZ LYS 79 HZ2 LYS 79 8.479 -5.492 15.305 620 3HZ LYS 79 HZ3 LYS 79 9.362 -4.476 14.274 621 H GLY 80 HN GLY 80 0.820 -3.773 14.093 622 1HA GLY 80 HA2 GLY 80 -0.079 -2.974 16.065 623 2HA GLY 80 HA1 GLY 80 0.897 -4.135 16.945 624 H ALA 81 HN ALA 81 3.419 -3.483 16.461 625 HA ALA 81 HA ALA 81 3.937 -1.504 18.289 626 1HB ALA 81 HB1 ALA 81 5.543 -3.220 17.555 627 2HB ALA 81 HB2 ALA 81 6.240 -1.600 17.584 628 3HB ALA 81 HB3 ALA 81 5.772 -2.330 16.048 629 H PHE 82 HN PHE 82 4.555 -1.089 14.784 630 HA PHE 82 HA PHE 82 3.463 1.565 14.847 631 1HB PHE 82 HB2 PHE 82 5.543 2.699 14.114 632 2HB PHE 82 HB1 PHE 82 5.674 2.061 15.747 633 HD1 PHE 82 HD1 PHE 82 6.936 -0.105 16.091 634 HD2 PHE 82 HD2 PHE 82 7.069 2.095 12.452 635 HE1 PHE 82 HE1 PHE 82 9.008 -1.269 15.465 636 HE2 PHE 82 HE2 PHE 82 9.142 0.933 11.821 637 HZ PHE 82 HZ PHE 82 10.113 -0.754 13.329 638 H LYS 83 HN LYS 83 2.962 2.333 12.815 639 HA LYS 83 HA LYS 83 2.935 0.289 10.773 640 1HB LYS 83 HB2 LYS 83 1.511 1.873 9.510 641 2HB LYS 83 HB1 LYS 83 0.895 1.510 11.113 642 1HG LYS 83 HG2 LYS 83 1.941 3.674 11.874 643 2HG LYS 83 HG1 LYS 83 2.223 4.032 10.169 644 1HD LYS 83 HD2 LYS 83 -0.145 3.902 9.707 645 2HD LYS 83 HD1 LYS 83 -0.476 3.402 11.365 646 1HE LYS 83 HE2 LYS 83 -1.013 5.701 11.249 647 2HE LYS 83 HE1 LYS 83 0.525 5.598 12.103 648 1HZ LYS 83 HZ1 LYS 83 0.510 7.380 10.466 649 2HZ LYS 83 HZ2 LYS 83 0.191 6.269 9.224 650 3HZ LYS 83 HZ3 LYS 83 1.663 6.205 10.068 651 H ALA 84 HN ALA 84 5.128 2.513 11.659 652 HA ALA 84 HA ALA 84 7.110 3.159 10.769 653 1HB ALA 84 HB1 ALA 84 8.112 1.661 9.144 654 2HB ALA 84 HB2 ALA 84 6.533 0.953 8.798 655 3HB ALA 84 HB3 ALA 84 7.263 0.745 10.390 656 H PHE 85 HN PHE 85 4.856 4.665 9.848 657 HA PHE 85 HA PHE 85 5.296 5.062 7.003 658 1HB PHE 85 HB2 PHE 85 3.002 5.114 7.945 659 2HB PHE 85 HB1 PHE 85 3.443 6.537 8.884 660 HD1 PHE 85 HD1 PHE 85 3.157 8.656 7.978 661 HD2 PHE 85 HD2 PHE 85 3.239 5.277 5.393 662 HE1 PHE 85 HE1 PHE 85 2.535 10.098 6.085 663 HE2 PHE 85 HE2 PHE 85 2.615 6.713 3.493 664 HZ PHE 85 HZ PHE 85 2.262 9.126 3.838 665 H THR 86 HN THR 86 6.885 6.310 6.321 666 HA THR 86 HA THR 86 7.408 8.829 7.695 667 HB THR 86 HB THR 86 9.053 7.241 8.618 668 HG1 THR 86 HG1 THR 86 10.989 8.486 7.606 669 1HG2 THR 86 HG21 THR 86 9.216 5.672 6.759 670 2HG2 THR 86 HG22 THR 86 10.811 6.299 7.174 671 3HG2 THR 86 HG23 THR 86 9.965 6.914 5.754 672 H GLY 87 HN GLY 87 8.264 10.442 6.343 673 1HA GLY 87 HA2 GLY 87 7.868 9.830 3.486 674 2HA GLY 87 HA1 GLY 87 7.583 11.397 4.225 675 H GLU 88 HN GLU 88 10.029 11.398 5.772 676 HA GLU 88 HA GLU 88 11.694 12.660 3.869 677 1HB GLU 88 HB2 GLU 88 11.569 13.157 6.343 678 2HB GLU 88 HB1 GLU 88 12.511 11.697 6.612 679 1HG GLU 88 HG2 GLU 88 14.332 12.632 5.273 680 2HG GLU 88 HG1 GLU 88 13.389 14.102 5.032 681 H GLY 89 HN GLY 89 13.083 11.796 2.480 682 1HA GLY 89 HA2 GLY 89 14.904 10.430 1.853 683 2HA GLY 89 HA1 GLY 89 14.521 9.353 3.188 684 H GLN 90 HN GLN 90 11.631 9.453 2.351 685 HA GLN 90 HA GLN 90 11.869 7.321 0.350 686 1HB GLN 90 HB2 GLN 90 10.698 6.986 2.601 687 2HB GLN 90 HB1 GLN 90 9.416 8.010 1.971 688 1HG GLN 90 HG2 GLN 90 8.943 5.603 1.761 689 2HG GLN 90 HG1 GLN 90 8.957 6.446 0.210 690 1HE2 GLN 90 HE21 GLN 90 10.717 4.267 2.296 691 2HE2 GLN 90 HE22 GLN 90 11.771 3.623 1.080 692 H LYS 91 HN LYS 91 9.557 9.920 1.129 693 HA LYS 91 HA LYS 91 9.154 10.327 -1.763 694 1HB LYS 91 HB2 LYS 91 7.225 10.781 0.528 695 2HB LYS 91 HB1 LYS 91 6.911 11.237 -1.141 696 1HG LYS 91 HG2 LYS 91 7.017 8.910 -1.823 697 2HG LYS 91 HG1 LYS 91 7.408 8.428 -0.173 698 1HD LYS 91 HD2 LYS 91 5.063 8.024 -0.608 699 2HD LYS 91 HD1 LYS 91 5.230 9.321 0.574 700 1HE LYS 91 HE2 LYS 91 4.832 10.979 -1.157 701 2HE LYS 91 HE1 LYS 91 4.740 9.711 -2.379 702 1HZ LYS 91 HZ1 LYS 91 2.895 9.937 -0.058 703 2HZ LYS 91 HZ2 LYS 91 2.755 8.859 -1.366 704 3HZ LYS 91 HZ3 LYS 91 2.549 10.526 -1.607 705 H LEU 92 HN LEU 92 11.296 11.507 -0.742 706 HA LEU 92 HA LEU 92 10.719 14.072 0.454 707 1HB LEU 92 HB2 LEU 92 13.085 14.345 0.667 708 2HB LEU 92 HB1 LEU 92 12.682 12.706 1.125 709 HG LEU 92 HG LEU 92 13.864 13.482 -1.551 710 1HD1 LEU 92 HD11 LEU 92 15.183 12.305 0.890 711 2HD1 LEU 92 HD12 LEU 92 15.424 13.935 0.259 712 3HD1 LEU 92 HD13 LEU 92 15.945 12.537 -0.684 713 1HD2 LEU 92 HD21 LEU 92 13.540 10.775 -0.256 714 2HD2 LEU 92 HD22 LEU 92 14.287 11.105 -1.821 715 3HD2 LEU 92 HD23 LEU 92 12.562 11.394 -1.586 716 H GLY 93 HN GLY 93 9.386 14.301 -1.726 717 1HA GLY 93 HA2 GLY 93 9.215 15.902 -3.453 718 2HA GLY 93 HA1 GLY 93 10.970 16.029 -3.477 719 H SER 94 HN SER 94 9.334 12.971 -3.487 720 HA SER 94 HA SER 94 10.625 12.189 -5.924 721 1HB SER 94 HB2 SER 94 8.519 10.662 -4.376 722 2HB SER 94 HB1 SER 94 9.741 10.005 -5.465 723 HG SER 94 HG SER 94 10.530 9.695 -3.436 724 H THR 95 HN THR 95 8.035 14.067 -5.476 725 HA THR 95 HA THR 95 6.874 13.346 -8.046 726 HB THR 95 HB THR 95 5.499 12.140 -6.409 727 HG1 THR 95 HG1 THR 95 4.293 14.400 -7.644 728 1HG2 THR 95 HG21 THR 95 5.890 13.556 -4.457 729 2HG2 THR 95 HG22 THR 95 4.165 13.342 -4.749 730 3HG2 THR 95 HG23 THR 95 4.953 14.853 -5.202 731 H ALA 96 HN ALA 96 8.584 15.468 -7.170 732 HA ALA 96 HA ALA 96 6.912 17.758 -7.838 733 1HB ALA 96 HB1 ALA 96 6.905 17.720 -5.393 734 2HB ALA 96 HB2 ALA 96 7.802 19.112 -6.003 735 3HB ALA 96 HB3 ALA 96 8.669 17.706 -5.381 736 HA PRO 97 HA PRO 97 10.614 18.393 -10.318 737 1HB PRO 97 HB2 PRO 97 9.222 20.875 -11.077 738 2HB PRO 97 HB1 PRO 97 9.772 19.541 -12.097 739 1HG PRO 97 HG2 PRO 97 7.166 19.955 -11.608 740 2HG PRO 97 HG1 PRO 97 7.837 18.322 -11.775 741 1HD PRO 97 HD2 PRO 97 7.111 19.830 -9.290 742 2HD PRO 97 HD1 PRO 97 6.840 18.119 -9.689 743 H GLN 98 HN GLN 98 9.080 20.622 -8.134 744 HA GLN 98 HA GLN 98 11.453 22.288 -7.891 745 1HB GLN 98 HB2 GLN 98 9.950 23.385 -6.077 746 2HB GLN 98 HB1 GLN 98 9.539 23.611 -7.770 747 1HG GLN 98 HG2 GLN 98 7.840 21.899 -7.621 748 2HG GLN 98 HG1 GLN 98 8.291 21.559 -5.952 749 1HE2 GLN 98 HE21 GLN 98 7.647 22.920 -4.344 750 2HE2 GLN 98 HE22 GLN 98 6.495 24.190 -4.583 751 H VAL 99 HN VAL 99 13.065 21.546 -6.668 752 HA VAL 99 HA VAL 99 12.526 19.523 -4.666 753 HB VAL 99 HB VAL 99 15.210 20.702 -5.401 754 1HG1 VAL 99 HG11 VAL 99 15.179 19.500 -3.277 755 2HG1 VAL 99 HG12 VAL 99 16.088 18.601 -4.494 756 3HG1 VAL 99 HG13 VAL 99 14.450 18.101 -4.068 757 1HG2 VAL 99 HG21 VAL 99 13.821 18.273 -6.536 758 2HG2 VAL 99 HG22 VAL 99 15.484 18.755 -6.870 759 3HG2 VAL 99 HG23 VAL 99 14.148 19.780 -7.392 760 H LEU 100 HN LEU 100 11.279 21.036 -3.387 761 HA LEU 100 HA LEU 100 12.995 22.392 -1.408 762 1HB LEU 100 HB2 LEU 100 11.641 23.906 -3.039 763 2HB LEU 100 HB1 LEU 100 10.274 23.361 -2.083 764 HG LEU 100 HG LEU 100 11.496 24.204 -0.047 765 1HD1 LEU 100 HD11 LEU 100 13.725 24.297 -1.053 766 2HD1 LEU 100 HD12 LEU 100 13.243 25.852 -0.377 767 3HD1 LEU 100 HD13 LEU 100 13.184 25.592 -2.121 768 1HD2 LEU 100 HD21 LEU 100 10.835 26.528 -0.429 769 2HD2 LEU 100 HD22 LEU 100 9.622 25.406 -1.046 770 3HD2 LEU 100 HD23 LEU 100 10.726 26.212 -2.161 771 H SER 101 HN SER 101 12.384 19.921 -1.088 772 HA SER 101 HA SER 101 11.552 18.379 0.347 773 1HB SER 101 HB2 SER 101 9.900 20.637 1.512 774 2HB SER 101 HB1 SER 101 10.082 19.028 2.215 775 HG SER 101 HG SER 101 11.782 21.191 2.278 776 H THR 102 HN THR 102 8.893 20.582 -0.552 777 HA THR 102 HA THR 102 7.823 18.588 -2.335 778 HB THR 102 HB THR 102 6.091 19.561 -0.044 779 HG1 THR 102 HG1 THR 102 7.775 17.485 -0.173 780 1HG2 THR 102 HG21 THR 102 4.426 18.001 -0.981 781 2HG2 THR 102 HG22 THR 102 5.512 17.670 -2.331 782 3HG2 THR 102 HG23 THR 102 4.838 19.285 -2.117 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -28.481 17.240 11.361 2 2H GLY 1 HT2 GLY 1 -28.337 15.559 11.440 3 3H GLY 1 HT3 GLY 1 -29.731 16.314 12.039 4 1HA GLY 1 HA1 GLY 1 -30.304 15.367 9.964 5 2HA GLY 1 HA2 GLY 1 -30.224 17.111 9.767 6 H SER 2 HN SER 2 -29.825 16.988 7.559 7 HA SER 2 HA SER 2 -27.585 15.403 6.608 8 1HB SER 2 HB2 SER 2 -29.508 17.188 5.096 9 2HB SER 2 HB1 SER 2 -28.336 16.087 4.373 10 HG SER 2 HG SER 2 -30.176 14.932 4.405 11 H GLU 3 HN GLU 3 -25.723 16.383 7.310 12 HA GLU 3 HA GLU 3 -25.212 19.177 6.734 13 1HB GLU 3 HB2 GLU 3 -23.338 16.973 7.628 14 2HB GLU 3 HB1 GLU 3 -22.947 18.685 7.566 15 1HG GLU 3 HG2 GLU 3 -24.472 19.186 9.312 16 2HG GLU 3 HG1 GLU 3 -25.151 17.557 9.264 17 H LYS 4 HN LYS 4 -23.561 16.174 5.824 18 HA LYS 4 HA LYS 4 -23.334 17.210 3.086 19 1HB LYS 4 HB2 LYS 4 -21.177 15.807 4.670 20 2HB LYS 4 HB1 LYS 4 -21.098 16.106 2.940 21 1HG LYS 4 HG2 LYS 4 -21.239 18.202 5.096 22 2HG LYS 4 HG1 LYS 4 -19.804 17.740 4.183 23 1HD LYS 4 HD2 LYS 4 -22.300 18.793 2.871 24 2HD LYS 4 HD1 LYS 4 -21.007 19.849 3.433 25 1HE LYS 4 HE2 LYS 4 -20.584 19.514 1.146 26 2HE LYS 4 HE1 LYS 4 -19.445 18.465 1.981 27 1HZ LYS 4 HZ1 LYS 4 -20.828 16.576 1.501 28 2HZ LYS 4 HZ2 LYS 4 -20.525 17.404 0.058 29 3HZ LYS 4 HZ3 LYS 4 -22.031 17.558 0.817 30 H ARG 5 HN ARG 5 -22.351 14.181 4.710 31 HA ARG 5 HA ARG 5 -22.725 12.000 4.187 32 1HB ARG 5 HB2 ARG 5 -25.397 13.086 3.280 33 2HB ARG 5 HB1 ARG 5 -25.032 11.383 3.486 34 1HG ARG 5 HG2 ARG 5 -24.832 13.369 5.729 35 2HG ARG 5 HG1 ARG 5 -26.314 12.493 5.350 36 1HD ARG 5 HD2 ARG 5 -25.316 11.222 7.029 37 2HD ARG 5 HD1 ARG 5 -24.893 10.375 5.543 38 HE ARG 5 HE ARG 5 -22.847 12.204 6.196 39 1HH1 ARG 5 HH11 ARG 5 -24.236 9.180 7.302 40 2HH1 ARG 5 HH12 ARG 5 -22.758 8.621 8.032 41 1HH2 ARG 5 HH21 ARG 5 -20.906 11.472 7.149 42 2HH2 ARG 5 HH22 ARG 5 -20.864 9.930 7.948 43 H GLN 6 HN GLN 6 -23.736 10.568 2.226 44 HA GLN 6 HA GLN 6 -23.666 9.925 0.050 45 1HB GLN 6 HB2 GLN 6 -25.203 11.973 -0.054 46 2HB GLN 6 HB1 GLN 6 -23.817 12.843 -0.697 47 1HG GLN 6 HG2 GLN 6 -25.071 12.169 -2.560 48 2HG GLN 6 HG1 GLN 6 -23.694 11.069 -2.489 49 1HE2 GLN 6 HE21 GLN 6 -26.479 10.898 -0.374 50 2HE2 GLN 6 HE22 GLN 6 -27.098 9.402 -0.993 51 H HIS 7 HN HIS 7 -21.347 9.411 0.605 52 HA HIS 7 HA HIS 7 -19.582 11.046 -1.081 53 1HB HIS 7 HB2 HIS 7 -17.670 10.334 0.261 54 2HB HIS 7 HB1 HIS 7 -18.875 11.126 1.261 55 HD1 HIS 7 HD1 HIS 7 -16.917 8.054 0.947 56 HD2 HIS 7 HD2 HIS 7 -20.345 9.275 2.961 57 HE1 HIS 7 HE1 HIS 7 -17.279 6.353 2.766 58 HE2 HIS 7 HE2 HIS 7 -19.460 7.008 3.843 59 H SER 8 HN SER 8 -19.985 10.023 -2.961 60 HA SER 8 HA SER 8 -18.867 7.316 -3.189 61 1HB SER 8 HB2 SER 8 -21.301 8.365 -4.657 62 2HB SER 8 HB1 SER 8 -20.564 6.780 -4.886 63 HG SER 8 HG SER 8 -21.733 6.115 -3.290 64 H SER 9 HN SER 9 -18.490 6.877 -5.671 65 HA SER 9 HA SER 9 -17.285 7.356 -7.530 66 1HB SER 9 HB2 SER 9 -18.474 10.123 -7.179 67 2HB SER 9 HB1 SER 9 -17.720 9.504 -8.651 68 HG SER 9 HG SER 9 -20.200 8.884 -7.500 69 H GLN 10 HN GLN 10 -16.070 7.588 -4.965 70 HA GLN 10 HA GLN 10 -14.336 9.884 -5.037 71 1HB GLN 10 HB2 GLN 10 -14.488 7.534 -3.159 72 2HB GLN 10 HB1 GLN 10 -13.364 8.879 -2.973 73 1HG GLN 10 HG2 GLN 10 -15.275 10.422 -2.865 74 2HG GLN 10 HG1 GLN 10 -16.363 9.038 -2.957 75 1HE2 GLN 10 HE21 GLN 10 -14.040 10.749 -1.030 76 2HE2 GLN 10 HE22 GLN 10 -14.442 10.011 0.487 77 H ASP 11 HN ASP 11 -14.106 6.419 -5.575 78 HA ASP 11 HA ASP 11 -12.610 5.105 -6.649 79 1HB ASP 11 HB2 ASP 11 -11.770 7.799 -7.675 80 2HB ASP 11 HB1 ASP 11 -11.019 6.306 -8.227 81 H VAL 12 HN VAL 12 -10.875 4.021 -5.900 82 HA VAL 12 HA VAL 12 -9.545 5.337 -3.669 83 HB VAL 12 HB VAL 12 -10.625 3.254 -3.117 84 1HG1 VAL 12 HG11 VAL 12 -10.600 2.124 -5.233 85 2HG1 VAL 12 HG12 VAL 12 -9.821 1.108 -4.020 86 3HG1 VAL 12 HG13 VAL 12 -8.841 1.999 -5.186 87 1HG2 VAL 12 HG21 VAL 12 -7.632 2.975 -3.075 88 2HG2 VAL 12 HG22 VAL 12 -8.765 2.076 -2.067 89 3HG2 VAL 12 HG23 VAL 12 -8.618 3.823 -1.886 90 H HIS 13 HN HIS 13 -7.508 5.907 -3.654 91 HA HIS 13 HA HIS 13 -5.680 4.784 -5.657 92 1HB HIS 13 HB2 HIS 13 -5.340 7.190 -3.845 93 2HB HIS 13 HB1 HIS 13 -4.162 6.634 -5.030 94 HD1 HIS 13 HD1 HIS 13 -7.074 8.790 -4.636 95 HD2 HIS 13 HD2 HIS 13 -5.135 6.861 -7.772 96 HE1 HIS 13 HE1 HIS 13 -7.921 9.887 -6.737 97 HE2 HIS 13 HE2 HIS 13 -6.643 8.790 -8.615 98 H VAL 14 HN VAL 14 -4.585 3.094 -4.973 99 HA VAL 14 HA VAL 14 -4.431 2.631 -2.078 100 HB VAL 14 HB VAL 14 -3.983 0.559 -4.212 101 1HG1 VAL 14 HG11 VAL 14 -4.861 0.367 -1.344 102 2HG1 VAL 14 HG12 VAL 14 -3.252 0.001 -1.969 103 3HG1 VAL 14 HG13 VAL 14 -4.631 -0.990 -2.445 104 1HG2 VAL 14 HG21 VAL 14 -6.324 -0.108 -3.991 105 2HG2 VAL 14 HG22 VAL 14 -6.166 1.516 -4.658 106 3HG2 VAL 14 HG23 VAL 14 -6.625 1.298 -2.970 107 H VAL 15 HN VAL 15 -2.557 3.482 -1.445 108 HA VAL 15 HA VAL 15 -0.120 2.863 -2.886 109 HB VAL 15 HB VAL 15 -0.216 5.086 -2.008 110 1HG1 VAL 15 HG11 VAL 15 -0.810 3.838 0.666 111 2HG1 VAL 15 HG12 VAL 15 -1.879 4.857 -0.297 112 3HG1 VAL 15 HG13 VAL 15 -0.421 5.540 0.423 113 1HG2 VAL 15 HG21 VAL 15 1.973 4.048 -1.904 114 2HG2 VAL 15 HG22 VAL 15 1.614 3.403 -0.303 115 3HG2 VAL 15 HG23 VAL 15 1.758 5.145 -0.539 116 H LEU 16 HN LEU 16 0.571 0.860 -2.663 117 HA LEU 16 HA LEU 16 0.138 -0.473 -0.088 118 1HB LEU 16 HB2 LEU 16 -0.614 -1.352 -2.501 119 2HB LEU 16 HB1 LEU 16 1.014 -1.992 -2.496 120 HG LEU 16 HG LEU 16 -1.226 -2.643 -0.593 121 1HD1 LEU 16 HD11 LEU 16 -1.350 -3.899 -2.608 122 2HD1 LEU 16 HD12 LEU 16 -0.707 -4.955 -1.345 123 3HD1 LEU 16 HD13 LEU 16 0.376 -4.261 -2.550 124 1HD2 LEU 16 HD21 LEU 16 0.812 -2.415 0.703 125 2HD2 LEU 16 HD22 LEU 16 1.667 -3.464 -0.427 126 3HD2 LEU 16 HD23 LEU 16 0.358 -4.114 0.561 127 H LYS 17 HN LYS 17 1.825 -0.451 1.184 128 HA LYS 17 HA LYS 17 4.499 -0.565 -0.008 129 1HB LYS 17 HB2 LYS 17 3.728 0.268 2.800 130 2HB LYS 17 HB1 LYS 17 5.344 0.290 2.111 131 1HG LYS 17 HG2 LYS 17 4.667 1.971 0.504 132 2HG LYS 17 HG1 LYS 17 3.013 1.915 1.118 133 1HD LYS 17 HD2 LYS 17 3.773 2.684 3.291 134 2HD LYS 17 HD1 LYS 17 5.439 2.671 2.714 135 1HE LYS 17 HE2 LYS 17 3.247 4.348 1.507 136 2HE LYS 17 HE1 LYS 17 4.347 4.931 2.751 137 1HZ LYS 17 HZ1 LYS 17 4.933 5.507 0.396 138 2HZ LYS 17 HZ2 LYS 17 5.286 3.875 0.138 139 3HZ LYS 17 HZ3 LYS 17 6.169 4.763 1.279 140 H LEU 18 HN LEU 18 5.810 -2.191 0.395 141 HA LEU 18 HA LEU 18 4.640 -4.601 1.595 142 1HB LEU 18 HB2 LEU 18 5.285 -4.649 -0.763 143 2HB LEU 18 HB1 LEU 18 6.886 -4.076 -0.365 144 HG LEU 18 HG LEU 18 7.147 -6.275 0.938 145 1HD1 LEU 18 HD11 LEU 18 4.771 -6.896 0.907 146 2HD1 LEU 18 HD12 LEU 18 5.797 -8.118 0.154 147 3HD1 LEU 18 HD13 LEU 18 4.841 -7.026 -0.851 148 1HD2 LEU 18 HD21 LEU 18 6.925 -6.262 -2.069 149 2HD2 LEU 18 HD22 LEU 18 7.823 -7.436 -1.110 150 3HD2 LEU 18 HD23 LEU 18 8.323 -5.745 -1.127 151 H TRP 19 HN TRP 19 5.341 -5.026 3.638 152 HA TRP 19 HA TRP 19 7.914 -3.850 4.475 153 1HB TRP 19 HB2 TRP 19 5.726 -4.761 6.323 154 2HB TRP 19 HB1 TRP 19 7.065 -3.685 6.679 155 HD1 TRP 19 HD1 TRP 19 3.533 -3.734 5.439 156 HE1 TRP 19 HE1 TRP 19 2.699 -1.323 5.159 157 HE3 TRP 19 HE3 TRP 19 7.998 -1.261 5.838 158 HZ2 TRP 19 HZ2 TRP 19 3.740 1.249 5.143 159 HZ3 TRP 19 HZ3 TRP 19 7.977 1.203 5.670 160 HH2 TRP 19 HH2 TRP 19 5.899 2.425 5.309 161 H LYS 20 HN LYS 20 8.354 -5.142 6.809 162 HA LYS 20 HA LYS 20 9.369 -7.653 5.926 163 1HB LYS 20 HB2 LYS 20 10.173 -7.824 8.315 164 2HB LYS 20 HB1 LYS 20 10.747 -6.433 7.409 165 1HG LYS 20 HG2 LYS 20 10.180 -5.336 9.289 166 2HG LYS 20 HG1 LYS 20 8.578 -5.348 8.554 167 1HD LYS 20 HD2 LYS 20 8.322 -6.039 10.815 168 2HD LYS 20 HD1 LYS 20 8.122 -7.477 9.811 169 1HE LYS 20 HE2 LYS 20 9.500 -7.983 11.744 170 2HE LYS 20 HE1 LYS 20 10.455 -8.101 10.268 171 1HZ LYS 20 HZ1 LYS 20 10.433 -5.746 12.083 172 2HZ LYS 20 HZ2 LYS 20 11.422 -5.958 10.725 173 3HZ LYS 20 HZ3 LYS 20 11.622 -6.955 12.081 174 H SER 21 HN SER 21 6.706 -6.650 8.021 175 HA SER 21 HA SER 21 6.150 -9.418 8.726 176 1HB SER 21 HB2 SER 21 6.074 -7.676 10.485 177 2HB SER 21 HB1 SER 21 4.770 -6.872 9.616 178 HG SER 21 HG SER 21 4.593 -9.574 10.465 179 H GLY 22 HN GLY 22 4.875 -6.841 6.740 180 1HA GLY 22 HA2 GLY 22 3.212 -8.621 5.288 181 2HA GLY 22 HA1 GLY 22 2.261 -7.661 6.410 182 H PHE 23 HN PHE 23 1.188 -6.362 5.058 183 HA PHE 23 HA PHE 23 2.734 -4.503 3.407 184 1HB PHE 23 HB2 PHE 23 1.254 -4.937 1.468 185 2HB PHE 23 HB1 PHE 23 2.133 -6.385 1.938 186 HD1 PHE 23 HD1 PHE 23 0.985 -8.268 2.963 187 HD2 PHE 23 HD2 PHE 23 -1.137 -4.773 1.761 188 HE1 PHE 23 HE1 PHE 23 -1.132 -9.486 3.183 189 HE2 PHE 23 HE2 PHE 23 -3.257 -5.995 1.989 190 HZ PHE 23 HZ PHE 23 -3.255 -8.348 2.696 191 H SER 24 HN SER 24 1.739 -2.478 3.193 192 HA SER 24 HA SER 24 -0.840 -2.177 4.608 193 1HB SER 24 HB2 SER 24 -0.111 0.027 5.356 194 2HB SER 24 HB1 SER 24 1.064 -1.188 5.862 195 HG SER 24 HG SER 24 1.422 0.102 3.403 196 H LEU 25 HN LEU 25 -2.358 -0.858 3.715 197 HA LEU 25 HA LEU 25 -1.783 0.122 0.996 198 1HB LEU 25 HB2 LEU 25 -4.524 -0.579 2.058 199 2HB LEU 25 HB1 LEU 25 -4.038 -0.341 0.394 200 HG LEU 25 HG LEU 25 -2.545 -2.437 0.843 201 1HD1 LEU 25 HD11 LEU 25 -3.602 -4.045 2.358 202 2HD1 LEU 25 HD12 LEU 25 -4.684 -2.772 2.923 203 3HD1 LEU 25 HD13 LEU 25 -2.946 -2.640 3.202 204 1HD2 LEU 25 HD21 LEU 25 -4.221 -2.402 -0.844 205 2HD2 LEU 25 HD22 LEU 25 -5.505 -2.518 0.354 206 3HD2 LEU 25 HD23 LEU 25 -4.419 -3.882 0.094 207 H ASP 26 HN ASP 26 -3.965 1.796 0.637 208 HA ASP 26 HA ASP 26 -3.564 3.867 2.615 209 1HB ASP 26 HB2 ASP 26 -3.956 4.433 0.225 210 2HB ASP 26 HB1 ASP 26 -5.583 3.767 0.357 211 H ASN 27 HN ASN 27 -6.114 1.688 1.604 212 HA ASN 27 HA ASN 27 -8.149 2.425 3.360 213 1HB ASN 27 HB2 ASN 27 -8.863 -0.042 3.001 214 2HB ASN 27 HB1 ASN 27 -8.770 1.012 1.592 215 1HD2 ASN 27 HD21 ASN 27 -7.375 -1.721 3.235 216 2HD2 ASN 27 HD22 ASN 27 -6.268 -2.166 1.967 217 H GLY 28 HN GLY 28 -5.491 0.136 3.805 218 1HA GLY 28 HA2 GLY 28 -6.106 0.094 6.684 219 2HA GLY 28 HA1 GLY 28 -5.815 -1.411 5.823 220 H GLU 29 HN GLU 29 -4.278 -0.703 7.992 221 HA GLU 29 HA GLU 29 -1.830 0.456 6.917 222 1HB GLU 29 HB2 GLU 29 -2.551 -0.376 9.730 223 2HB GLU 29 HB1 GLU 29 -1.028 0.370 9.263 224 1HG GLU 29 HG2 GLU 29 -2.309 2.333 8.432 225 2HG GLU 29 HG1 GLU 29 -3.769 1.595 9.092 226 H LEU 30 HN LEU 30 0.070 -0.920 8.506 227 HA LEU 30 HA LEU 30 0.745 -2.979 6.746 228 1HB LEU 30 HB2 LEU 30 2.280 -1.691 8.264 229 2HB LEU 30 HB1 LEU 30 1.738 -2.670 9.590 230 HG LEU 30 HG LEU 30 3.614 -3.314 7.368 231 1HD1 LEU 30 HD11 LEU 30 3.677 -4.364 10.166 232 2HD1 LEU 30 HD12 LEU 30 4.226 -2.741 9.782 233 3HD1 LEU 30 HD13 LEU 30 5.007 -4.130 9.028 234 1HD2 LEU 30 HD21 LEU 30 2.027 -5.441 8.776 235 2HD2 LEU 30 HD22 LEU 30 3.438 -5.704 7.751 236 3HD2 LEU 30 HD23 LEU 30 1.957 -5.043 7.058 237 H ARG 31 HN ARG 31 -0.435 -4.678 6.421 238 HA ARG 31 HA ARG 31 -1.457 -6.239 8.696 239 1HB ARG 31 HB2 ARG 31 -2.302 -6.011 5.815 240 2HB ARG 31 HB1 ARG 31 -2.830 -7.342 6.829 241 1HG ARG 31 HG2 ARG 31 -3.888 -5.740 8.361 242 2HG ARG 31 HG1 ARG 31 -3.378 -4.418 7.303 243 1HD ARG 31 HD2 ARG 31 -4.731 -5.211 5.520 244 2HD ARG 31 HD1 ARG 31 -5.048 -6.737 6.349 245 HE ARG 31 HE ARG 31 -6.069 -4.175 7.398 246 1HH1 ARG 31 HH11 ARG 31 -6.499 -7.514 6.470 247 2HH1 ARG 31 HH12 ARG 31 -8.205 -7.538 6.800 248 1HH2 ARG 31 HH21 ARG 31 -8.323 -4.187 7.879 249 2HH2 ARG 31 HH22 ARG 31 -9.250 -5.628 7.581 250 H SER 32 HN SER 32 -0.425 -8.099 9.129 251 HA SER 32 HA SER 32 1.844 -8.935 7.685 252 1HB SER 32 HB2 SER 32 1.492 -11.038 9.217 253 2HB SER 32 HB1 SER 32 1.943 -9.486 9.929 254 HG SER 32 HG SER 32 0.155 -10.603 10.977 255 H TYR 33 HN TYR 33 2.232 -10.684 6.369 256 HA TYR 33 HA TYR 33 0.263 -11.254 4.444 257 1HB TYR 33 HB2 TYR 33 2.742 -12.892 4.961 258 2HB TYR 33 HB1 TYR 33 1.875 -12.727 3.444 259 HD1 TYR 33 HD1 TYR 33 4.739 -11.820 5.109 260 HD2 TYR 33 HD2 TYR 33 1.698 -10.093 2.679 261 HE1 TYR 33 HE1 TYR 33 6.288 -10.033 4.451 262 HE2 TYR 33 HE2 TYR 33 3.238 -8.294 2.021 263 HH TYR 33 HH TYR 33 5.330 -7.216 3.054 264 H GLN 34 HN GLN 34 0.880 -12.686 7.450 265 HA GLN 34 HA GLN 34 0.183 -15.391 6.768 266 1HB GLN 34 HB2 GLN 34 0.570 -14.079 9.454 267 2HB GLN 34 HB1 GLN 34 0.534 -15.811 9.141 268 1HG GLN 34 HG2 GLN 34 2.585 -15.779 8.033 269 2HG GLN 34 HG1 GLN 34 2.532 -14.029 7.807 270 1HE2 GLN 34 HE21 GLN 34 3.129 -16.610 10.061 271 2HE2 GLN 34 HE22 GLN 34 3.936 -15.646 11.253 272 H ASP 35 HN ASP 35 -1.438 -12.601 8.020 273 HA ASP 35 HA ASP 35 -3.575 -13.941 9.324 274 1HB ASP 35 HB2 ASP 35 -2.913 -11.631 9.847 275 2HB ASP 35 HB1 ASP 35 -3.440 -11.122 8.248 276 HA PRO 36 HA PRO 36 -5.850 -15.419 5.859 277 1HB PRO 36 HB2 PRO 36 -8.202 -15.199 7.644 278 2HB PRO 36 HB1 PRO 36 -7.544 -16.612 6.813 279 1HG PRO 36 HG2 PRO 36 -7.241 -16.311 9.444 280 2HG PRO 36 HG1 PRO 36 -5.944 -16.993 8.443 281 1HD PRO 36 HD2 PRO 36 -6.214 -14.239 9.581 282 2HD PRO 36 HD1 PRO 36 -4.773 -15.269 9.449 283 H SER 37 HN SER 37 -6.829 -12.467 7.490 284 HA SER 37 HA SER 37 -8.877 -11.817 5.554 285 1HB SER 37 HB2 SER 37 -8.911 -10.992 7.922 286 2HB SER 37 HB1 SER 37 -7.470 -10.042 7.570 287 HG SER 37 HG SER 37 -9.962 -9.321 7.233 288 H ASN 38 HN ASN 38 -5.517 -11.402 6.033 289 HA ASN 38 HA ASN 38 -5.225 -9.344 4.023 290 1HB ASN 38 HB2 ASN 38 -3.061 -10.855 5.496 291 2HB ASN 38 HB1 ASN 38 -2.907 -9.311 4.656 292 1HD2 ASN 38 HD21 ASN 38 -2.274 -9.856 7.388 293 2HD2 ASN 38 HD22 ASN 38 -3.300 -8.851 8.357 294 H ALA 39 HN ALA 39 -5.022 -12.767 4.325 295 HA ALA 39 HA ALA 39 -3.596 -13.401 2.000 296 1HB ALA 39 HB1 ALA 39 -4.208 -15.083 3.659 297 2HB ALA 39 HB2 ALA 39 -4.791 -15.540 2.058 298 3HB ALA 39 HB3 ALA 39 -5.912 -14.880 3.249 299 H GLN 40 HN GLN 40 -6.879 -12.328 2.523 300 HA GLN 40 HA GLN 40 -8.041 -12.724 0.046 301 1HB GLN 40 HB2 GLN 40 -9.279 -11.807 1.923 302 2HB GLN 40 HB1 GLN 40 -8.279 -10.365 1.931 303 1HG GLN 40 HG2 GLN 40 -9.544 -10.785 -0.639 304 2HG GLN 40 HG1 GLN 40 -10.721 -10.711 0.668 305 1HE2 GLN 40 HE21 GLN 40 -7.667 -8.975 0.702 306 2HE2 GLN 40 HE22 GLN 40 -8.354 -7.396 0.584 307 H PHE 41 HN PHE 41 -5.997 -10.028 1.121 308 HA PHE 41 HA PHE 41 -5.975 -8.640 -1.349 309 1HB PHE 41 HB2 PHE 41 -3.949 -8.658 0.896 310 2HB PHE 41 HB1 PHE 41 -3.914 -7.546 -0.463 311 HD1 PHE 41 HD1 PHE 41 -5.809 -5.922 -0.740 312 HD2 PHE 41 HD2 PHE 41 -5.238 -8.220 2.793 313 HE1 PHE 41 HE1 PHE 41 -7.202 -4.332 0.521 314 HE2 PHE 41 HE2 PHE 41 -6.633 -6.642 4.059 315 HZ PHE 41 HZ PHE 41 -7.616 -4.693 2.921 316 H LEU 42 HN LEU 42 -3.531 -10.696 0.194 317 HA LEU 42 HA LEU 42 -1.617 -10.613 -1.786 318 1HB LEU 42 HB2 LEU 42 -2.279 -12.806 0.163 319 2HB LEU 42 HB1 LEU 42 -0.846 -12.814 -0.847 320 HG LEU 42 HG LEU 42 -1.505 -10.713 1.216 321 1HD1 LEU 42 HD11 LEU 42 0.301 -11.711 2.506 322 2HD1 LEU 42 HD12 LEU 42 0.494 -12.966 1.280 323 3HD1 LEU 42 HD13 LEU 42 -0.995 -12.872 2.223 324 1HD2 LEU 42 HD21 LEU 42 0.781 -9.950 0.832 325 2HD2 LEU 42 HD22 LEU 42 -0.184 -9.842 -0.641 326 3HD2 LEU 42 HD23 LEU 42 0.975 -11.157 -0.440 327 H GLU 43 HN GLU 43 -4.344 -12.865 -1.489 328 HA GLU 43 HA GLU 43 -3.505 -14.486 -3.681 329 1HB GLU 43 HB2 GLU 43 -5.017 -15.270 -1.851 330 2HB GLU 43 HB1 GLU 43 -6.286 -14.254 -2.523 331 1HG GLU 43 HG2 GLU 43 -6.615 -16.511 -3.259 332 2HG GLU 43 HG1 GLU 43 -6.134 -15.520 -4.636 333 H SER 44 HN SER 44 -6.031 -11.971 -3.348 334 HA SER 44 HA SER 44 -6.923 -12.103 -6.004 335 1HB SER 44 HB2 SER 44 -6.945 -9.812 -4.034 336 2HB SER 44 HB1 SER 44 -7.839 -9.820 -5.556 337 HG SER 44 HG SER 44 -9.309 -11.025 -4.658 338 H ILE 45 HN ILE 45 -4.402 -10.137 -4.479 339 HA ILE 45 HA ILE 45 -3.832 -8.621 -6.842 340 HB ILE 45 HB ILE 45 -2.137 -9.012 -4.363 341 1HG1 ILE 45 HG12 ILE 45 -4.053 -6.781 -5.077 342 2HG1 ILE 45 HG11 ILE 45 -4.399 -8.074 -3.935 343 1HG2 ILE 45 HG21 ILE 45 -1.997 -6.945 -6.556 344 2HG2 ILE 45 HG22 ILE 45 -0.787 -8.173 -6.177 345 3HG2 ILE 45 HG23 ILE 45 -1.105 -6.864 -5.037 346 1HD1 ILE 45 HD11 ILE 45 -3.777 -6.051 -2.774 347 2HD1 ILE 45 HD12 ILE 45 -2.253 -5.987 -3.658 348 3HD1 ILE 45 HD13 ILE 45 -2.556 -7.300 -2.522 349 H ARG 46 HN ARG 46 -2.719 -11.608 -5.468 350 HA ARG 46 HA ARG 46 -0.451 -12.084 -7.065 351 1HB ARG 46 HB2 ARG 46 -0.931 -13.421 -5.106 352 2HB ARG 46 HB1 ARG 46 -2.456 -13.951 -5.792 353 1HG ARG 46 HG2 ARG 46 -1.149 -15.105 -7.585 354 2HG ARG 46 HG1 ARG 46 0.313 -14.717 -6.669 355 1HD ARG 46 HD2 ARG 46 -0.523 -15.931 -4.751 356 2HD ARG 46 HD1 ARG 46 -2.053 -16.235 -5.573 357 HE ARG 46 HE ARG 46 0.457 -17.284 -6.705 358 1HH1 ARG 46 HH11 ARG 46 -2.709 -17.826 -5.286 359 2HH1 ARG 46 HH12 ARG 46 -2.710 -19.526 -5.671 360 1HH2 ARG 46 HH21 ARG 46 0.430 -19.512 -7.209 361 2HH2 ARG 46 HH22 ARG 46 -0.954 -20.470 -6.771 362 H ARG 47 HN ARG 47 -3.864 -12.969 -7.486 363 HA ARG 47 HA ARG 47 -3.497 -14.262 -9.989 364 1HB ARG 47 HB2 ARG 47 -6.042 -13.019 -8.944 365 2HB ARG 47 HB1 ARG 47 -5.903 -14.295 -10.143 366 1HG ARG 47 HG2 ARG 47 -5.206 -14.501 -7.224 367 2HG ARG 47 HG1 ARG 47 -6.615 -15.199 -8.023 368 1HD ARG 47 HD2 ARG 47 -5.094 -16.553 -9.426 369 2HD ARG 47 HD1 ARG 47 -3.729 -15.905 -8.514 370 HE ARG 47 HE ARG 47 -4.452 -17.110 -6.608 371 1HH1 ARG 47 HH11 ARG 47 -6.462 -17.669 -9.424 372 2HH1 ARG 47 HH12 ARG 47 -7.080 -19.188 -8.849 373 1HH2 ARG 47 HH21 ARG 47 -5.270 -19.120 -5.841 374 2HH2 ARG 47 HH22 ARG 47 -6.406 -20.008 -6.814 375 H GLY 48 HN GLY 48 -4.422 -11.009 -9.037 376 1HA GLY 48 HA2 GLY 48 -3.926 -9.154 -10.558 377 2HA GLY 48 HA1 GLY 48 -4.383 -10.221 -11.883 378 H GLU 49 HN GLU 49 -6.076 -10.150 -8.873 379 HA GLU 49 HA GLU 49 -8.459 -9.079 -10.225 380 1HB GLU 49 HB2 GLU 49 -8.287 -10.778 -7.728 381 2HB GLU 49 HB1 GLU 49 -9.756 -10.285 -8.559 382 1HG GLU 49 HG2 GLU 49 -9.170 -11.619 -10.478 383 2HG GLU 49 HG1 GLU 49 -7.624 -12.042 -9.748 384 H VAL 50 HN VAL 50 -9.991 -8.028 -8.550 385 HA VAL 50 HA VAL 50 -8.444 -6.000 -7.153 386 HB VAL 50 HB VAL 50 -10.177 -5.224 -8.676 387 1HG1 VAL 50 HG11 VAL 50 -12.134 -6.658 -6.896 388 2HG1 VAL 50 HG12 VAL 50 -11.711 -7.100 -8.550 389 3HG1 VAL 50 HG13 VAL 50 -12.548 -5.580 -8.232 390 1HG2 VAL 50 HG21 VAL 50 -11.392 -3.714 -7.152 391 2HG2 VAL 50 HG22 VAL 50 -9.677 -3.823 -6.757 392 3HG2 VAL 50 HG23 VAL 50 -10.863 -4.693 -5.783 393 HA PRO 51 HA PRO 51 -9.269 -7.979 -3.158 394 1HB PRO 51 HB2 PRO 51 -8.267 -5.307 -2.309 395 2HB PRO 51 HB1 PRO 51 -7.762 -6.915 -1.784 396 1HG PRO 51 HG2 PRO 51 -6.254 -5.446 -3.399 397 2HG PRO 51 HG1 PRO 51 -6.361 -7.207 -3.570 398 1HD PRO 51 HD2 PRO 51 -7.608 -5.056 -5.221 399 2HD PRO 51 HD1 PRO 51 -6.977 -6.639 -5.718 400 H ALA 52 HN ALA 52 -11.191 -7.927 -2.214 401 HA ALA 52 HA ALA 52 -13.235 -6.214 -3.011 402 1HB ALA 52 HB1 ALA 52 -14.577 -7.252 -1.272 403 2HB ALA 52 HB2 ALA 52 -13.123 -7.902 -0.520 404 3HB ALA 52 HB3 ALA 52 -13.613 -8.462 -2.118 405 H GLU 53 HN GLU 53 -11.033 -6.033 -0.310 406 HA GLU 53 HA GLU 53 -12.265 -4.127 1.276 407 1HB GLU 53 HB2 GLU 53 -9.348 -4.608 0.702 408 2HB GLU 53 HB1 GLU 53 -9.910 -3.488 1.935 409 1HG GLU 53 HG2 GLU 53 -10.532 -6.430 1.848 410 2HG GLU 53 HG1 GLU 53 -9.281 -5.683 2.839 411 H LEU 54 HN LEU 54 -10.641 -3.707 -1.801 412 HA LEU 54 HA LEU 54 -10.360 -0.865 -1.540 413 1HB LEU 54 HB2 LEU 54 -10.388 -2.427 -4.120 414 2HB LEU 54 HB1 LEU 54 -9.647 -0.870 -3.807 415 HG LEU 54 HG LEU 54 -8.719 -3.514 -2.702 416 1HD1 LEU 54 HD11 LEU 54 -6.822 -3.187 -4.166 417 2HD1 LEU 54 HD12 LEU 54 -7.488 -1.650 -4.720 418 3HD1 LEU 54 HD13 LEU 54 -8.319 -3.158 -5.102 419 1HD2 LEU 54 HD21 LEU 54 -8.305 -1.781 -1.098 420 2HD2 LEU 54 HD22 LEU 54 -7.700 -0.706 -2.357 421 3HD2 LEU 54 HD23 LEU 54 -6.787 -2.152 -1.919 422 H ARG 55 HN ARG 55 -12.698 -3.061 -3.004 423 HA ARG 55 HA ARG 55 -14.396 -0.992 -4.023 424 1HB ARG 55 HB2 ARG 55 -14.860 -3.927 -3.469 425 2HB ARG 55 HB1 ARG 55 -16.101 -2.876 -4.130 426 1HG ARG 55 HG2 ARG 55 -13.428 -3.255 -5.444 427 2HG ARG 55 HG1 ARG 55 -14.817 -4.290 -5.781 428 1HD ARG 55 HD2 ARG 55 -16.102 -2.275 -6.432 429 2HD ARG 55 HD1 ARG 55 -14.652 -1.302 -6.189 430 HE ARG 55 HE ARG 55 -13.709 -3.000 -7.943 431 1HH1 ARG 55 HH11 ARG 55 -16.927 -1.578 -7.922 432 2HH1 ARG 55 HH12 ARG 55 -17.072 -1.599 -9.652 433 1HH2 ARG 55 HH21 ARG 55 -13.922 -3.035 -10.222 434 2HH2 ARG 55 HH22 ARG 55 -15.375 -2.404 -10.950 435 H ARG 56 HN ARG 56 -14.014 -2.647 -0.983 436 HA ARG 56 HA ARG 56 -16.458 -1.686 0.172 437 1HB ARG 56 HB2 ARG 56 -13.993 -2.744 1.571 438 2HB ARG 56 HB1 ARG 56 -15.577 -2.523 2.293 439 1HG ARG 56 HG2 ARG 56 -14.891 -4.460 0.099 440 2HG ARG 56 HG1 ARG 56 -15.135 -4.858 1.798 441 1HD ARG 56 HD2 ARG 56 -17.457 -4.075 1.628 442 2HD ARG 56 HD1 ARG 56 -17.200 -3.714 -0.081 443 HE ARG 56 HE ARG 56 -16.556 -6.426 0.576 444 1HH1 ARG 56 HH11 ARG 56 -19.217 -4.269 -0.171 445 2HH1 ARG 56 HH12 ARG 56 -20.217 -5.538 -0.825 446 1HH2 ARG 56 HH21 ARG 56 -17.857 -8.078 -0.234 447 2HH2 ARG 56 HH22 ARG 56 -19.454 -7.723 -0.831 448 H LEU 57 HN LEU 57 -13.759 -0.149 -0.789 449 HA LEU 57 HA LEU 57 -13.930 1.878 1.339 450 1HB LEU 57 HB2 LEU 57 -11.698 0.692 0.873 451 2HB LEU 57 HB1 LEU 57 -11.676 1.561 -0.645 452 HG LEU 57 HG LEU 57 -10.280 2.550 1.197 453 1HD1 LEU 57 HD11 LEU 57 -10.936 3.884 -0.725 454 2HD1 LEU 57 HD12 LEU 57 -10.921 4.858 0.747 455 3HD1 LEU 57 HD13 LEU 57 -12.455 4.305 0.073 456 1HD2 LEU 57 HD21 LEU 57 -11.820 2.115 3.039 457 2HD2 LEU 57 HD22 LEU 57 -12.968 3.265 2.354 458 3HD2 LEU 57 HD23 LEU 57 -11.401 3.826 2.938 459 H ALA 58 HN ALA 58 -13.218 1.572 -2.157 460 HA ALA 58 HA ALA 58 -14.433 4.208 -2.568 461 1HB ALA 58 HB1 ALA 58 -13.494 3.976 -4.872 462 2HB ALA 58 HB2 ALA 58 -12.699 2.496 -4.324 463 3HB ALA 58 HB3 ALA 58 -12.302 4.051 -3.576 464 H HIS 59 HN HIS 59 -16.233 4.510 -3.658 465 HA HIS 59 HA HIS 59 -17.510 2.186 -4.935 466 1HB HIS 59 HB2 HIS 59 -18.873 4.602 -3.752 467 2HB HIS 59 HB1 HIS 59 -19.670 3.196 -4.442 468 HD1 HIS 59 HD1 HIS 59 -19.385 0.907 -3.065 469 HD2 HIS 59 HD2 HIS 59 -18.218 4.388 -1.104 470 HE1 HIS 59 HE1 HIS 59 -19.177 0.288 -0.633 471 HE2 HIS 59 HE2 HIS 59 -18.219 2.344 0.471 472 H GLY 60 HN GLY 60 -16.503 2.578 -6.859 473 1HA GLY 60 HA2 GLY 60 -17.702 4.464 -8.629 474 2HA GLY 60 HA1 GLY 60 -16.058 4.946 -8.193 475 H GLY 61 HN GLY 61 -14.871 2.510 -7.916 476 1HA GLY 61 HA2 GLY 61 -14.803 0.363 -9.092 477 2HA GLY 61 HA1 GLY 61 -15.236 1.231 -10.546 478 H GLN 62 HN GLN 62 -13.282 3.368 -9.424 479 HA GLN 62 HA GLN 62 -11.022 2.383 -10.900 480 1HB GLN 62 HB2 GLN 62 -11.682 4.692 -11.080 481 2HB GLN 62 HB1 GLN 62 -11.572 4.874 -9.345 482 1HG GLN 62 HG2 GLN 62 -9.148 4.512 -9.456 483 2HG GLN 62 HG1 GLN 62 -9.264 4.341 -11.205 484 1HE2 GLN 62 HE21 GLN 62 -11.287 6.456 -11.398 485 2HE2 GLN 62 HE22 GLN 62 -10.430 7.943 -11.207 486 H VAL 63 HN VAL 63 -9.512 1.130 -10.029 487 HA VAL 63 HA VAL 63 -8.748 1.611 -7.231 488 HB VAL 63 HB VAL 63 -8.203 -0.857 -7.078 489 1HG1 VAL 63 HG11 VAL 63 -10.501 -1.512 -6.556 490 2HG1 VAL 63 HG12 VAL 63 -11.105 -0.117 -7.450 491 3HG1 VAL 63 HG13 VAL 63 -10.160 0.121 -5.980 492 1HG2 VAL 63 HG21 VAL 63 -9.413 -2.377 -8.579 493 2HG2 VAL 63 HG22 VAL 63 -8.237 -1.399 -9.459 494 3HG2 VAL 63 HG23 VAL 63 -9.952 -0.997 -9.535 495 H ASN 64 HN ASN 64 -6.900 2.676 -7.472 496 HA ASN 64 HA ASN 64 -4.889 1.660 -9.359 497 1HB ASN 64 HB2 ASN 64 -5.454 4.007 -9.622 498 2HB ASN 64 HB1 ASN 64 -5.158 4.307 -7.919 499 1HD2 ASN 64 HD21 ASN 64 -3.093 2.270 -9.920 500 2HD2 ASN 64 HD22 ASN 64 -1.726 3.332 -9.886 501 H LEU 65 HN LEU 65 -3.662 0.144 -8.362 502 HA LEU 65 HA LEU 65 -2.778 0.730 -5.612 503 1HB LEU 65 HB2 LEU 65 -4.253 -1.210 -5.731 504 2HB LEU 65 HB1 LEU 65 -3.228 -1.948 -6.944 505 HG LEU 65 HG LEU 65 -2.141 -1.350 -4.207 506 1HD1 LEU 65 HD11 LEU 65 -2.851 -3.594 -3.505 507 2HD1 LEU 65 HD12 LEU 65 -3.754 -3.773 -5.010 508 3HD1 LEU 65 HD13 LEU 65 -4.231 -2.547 -3.837 509 1HD2 LEU 65 HD21 LEU 65 -0.725 -3.272 -4.692 510 2HD2 LEU 65 HD22 LEU 65 -0.592 -2.075 -5.980 511 3HD2 LEU 65 HD23 LEU 65 -1.564 -3.526 -6.222 512 H ASP 66 HN ASP 66 -0.732 1.219 -5.408 513 HA ASP 66 HA ASP 66 1.194 0.210 -7.403 514 1HB ASP 66 HB2 ASP 66 1.218 2.731 -5.738 515 2HB ASP 66 HB1 ASP 66 2.643 2.140 -6.581 516 H MET 67 HN MET 67 2.701 -1.165 -6.714 517 HA MET 67 HA MET 67 2.931 -1.694 -3.866 518 1HB MET 67 HB2 MET 67 3.870 -3.090 -6.339 519 2HB MET 67 HB1 MET 67 4.639 -3.443 -4.799 520 1HG MET 67 HG2 MET 67 2.393 -4.016 -3.882 521 2HG MET 67 HG1 MET 67 1.740 -3.817 -5.512 522 1HE MET 67 HE1 MET 67 1.834 -7.724 -4.790 523 2HE MET 67 HE2 MET 67 0.787 -6.345 -5.123 524 3HE MET 67 HE3 MET 67 1.629 -6.456 -3.580 525 H GLU 68 HN GLU 68 4.470 -0.940 -2.618 526 HA GLU 68 HA GLU 68 7.041 -0.112 -3.814 527 1HB GLU 68 HB2 GLU 68 5.702 0.887 -1.298 528 2HB GLU 68 HB1 GLU 68 7.306 1.353 -1.833 529 1HG GLU 68 HG2 GLU 68 6.368 2.420 -3.785 530 2HG GLU 68 HG1 GLU 68 4.750 1.889 -3.313 531 H ASP 69 HN ASP 69 8.924 -0.811 -2.724 532 HA ASP 69 HA ASP 69 8.427 -3.009 -0.841 533 1HB ASP 69 HB2 ASP 69 9.638 -3.723 -2.801 534 2HB ASP 69 HB1 ASP 69 10.806 -2.422 -2.610 535 H HIS 70 HN HIS 70 8.575 -2.454 1.183 536 HA HIS 70 HA HIS 70 10.803 -0.743 2.077 537 1HB HIS 70 HB2 HIS 70 7.944 -0.671 3.084 538 2HB HIS 70 HB1 HIS 70 9.294 0.130 3.876 539 HD1 HIS 70 HD1 HIS 70 10.021 2.364 2.978 540 HD2 HIS 70 HD2 HIS 70 7.108 0.527 0.649 541 HE1 HIS 70 HE1 HIS 70 9.171 4.151 1.418 542 HE2 HIS 70 HE2 HIS 70 7.575 2.955 -0.137 543 H ARG 71 HN ARG 71 10.491 -3.652 1.929 544 HA ARG 71 HA ARG 71 9.839 -4.659 4.497 545 1HB ARG 71 HB2 ARG 71 11.574 -5.903 2.349 546 2HB ARG 71 HB1 ARG 71 10.857 -6.742 3.723 547 1HG ARG 71 HG2 ARG 71 8.629 -6.236 2.886 548 2HG ARG 71 HG1 ARG 71 9.330 -5.376 1.518 549 1HD ARG 71 HD2 ARG 71 8.656 -7.584 0.821 550 2HD ARG 71 HD1 ARG 71 10.421 -7.487 0.814 551 HE ARG 71 HE ARG 71 9.114 -8.598 3.181 552 1HH1 ARG 71 HH11 ARG 71 10.951 -9.120 0.257 553 2HH1 ARG 71 HH12 ARG 71 11.452 -10.722 0.695 554 1HH2 ARG 71 HH21 ARG 71 9.750 -10.721 3.770 555 2HH2 ARG 71 HH22 ARG 71 10.780 -11.629 2.701 556 H ASP 72 HN ASP 72 11.198 -5.369 6.122 557 HA ASP 72 HA ASP 72 12.866 -5.226 7.624 558 1HB ASP 72 HB2 ASP 72 14.241 -6.057 5.699 559 2HB ASP 72 HB1 ASP 72 14.673 -4.386 5.359 560 H GLU 73 HN GLU 73 11.870 -2.578 5.773 561 HA GLU 73 HA GLU 73 13.207 -0.552 7.307 562 1HB GLU 73 HB2 GLU 73 11.026 -0.585 5.254 563 2HB GLU 73 HB1 GLU 73 11.318 0.868 6.183 564 1HG GLU 73 HG2 GLU 73 13.708 0.754 5.391 565 2HG GLU 73 HG1 GLU 73 13.193 -0.535 4.304 566 H ASP 74 HN ASP 74 10.208 -2.278 7.379 567 HA ASP 74 HA ASP 74 8.557 -2.511 8.882 568 1HB ASP 74 HB2 ASP 74 10.563 -1.135 10.570 569 2HB ASP 74 HB1 ASP 74 8.890 -1.080 11.124 570 H PHE 75 HN PHE 75 6.827 -1.234 10.027 571 HA PHE 75 HA PHE 75 5.796 0.166 7.798 572 1HB PHE 75 HB2 PHE 75 4.365 -1.342 8.859 573 2HB PHE 75 HB1 PHE 75 4.656 -0.646 10.449 574 HD1 PHE 75 HD1 PHE 75 3.074 0.023 7.156 575 HD2 PHE 75 HD2 PHE 75 3.230 0.986 11.301 576 HE1 PHE 75 HE1 PHE 75 1.020 1.335 6.920 577 HE2 PHE 75 HE2 PHE 75 1.176 2.315 11.067 578 HZ PHE 75 HZ PHE 75 0.069 2.486 8.880 579 H VAL 76 HN VAL 76 5.109 2.146 7.503 580 HA VAL 76 HA VAL 76 4.880 4.062 9.638 581 HB VAL 76 HB VAL 76 7.232 4.359 8.957 582 1HG1 VAL 76 HG11 VAL 76 7.817 5.182 6.745 583 2HG1 VAL 76 HG12 VAL 76 6.137 5.030 6.232 584 3HG1 VAL 76 HG13 VAL 76 7.067 3.586 6.648 585 1HG2 VAL 76 HG21 VAL 76 7.147 6.768 8.504 586 2HG2 VAL 76 HG22 VAL 76 6.003 6.283 9.756 587 3HG2 VAL 76 HG23 VAL 76 5.430 6.624 8.123 588 H LYS 77 HN LYS 77 4.742 3.320 6.216 589 HA LYS 77 HA LYS 77 3.388 3.820 4.503 590 1HB LYS 77 HB2 LYS 77 1.111 3.489 4.788 591 2HB LYS 77 HB1 LYS 77 1.804 2.635 6.154 592 1HG LYS 77 HG2 LYS 77 1.175 4.364 7.657 593 2HG LYS 77 HG1 LYS 77 0.717 5.432 6.329 594 1HD LYS 77 HD2 LYS 77 -0.622 2.797 6.944 595 2HD LYS 77 HD1 LYS 77 -1.215 4.366 7.492 596 1HE LYS 77 HE2 LYS 77 -1.363 5.082 5.123 597 2HE LYS 77 HE1 LYS 77 -0.879 3.458 4.635 598 1HZ LYS 77 HZ1 LYS 77 -3.276 4.028 6.293 599 2HZ LYS 77 HZ2 LYS 77 -2.857 2.560 5.550 600 3HZ LYS 77 HZ3 LYS 77 -3.315 3.884 4.606 601 HA PRO 78 HA PRO 78 2.816 8.152 3.830 602 1HB PRO 78 HB2 PRO 78 0.044 7.851 2.863 603 2HB PRO 78 HB1 PRO 78 1.477 8.425 1.997 604 1HG PRO 78 HG2 PRO 78 0.416 6.039 1.448 605 2HG PRO 78 HG1 PRO 78 2.177 6.267 1.477 606 1HD PRO 78 HD2 PRO 78 0.386 5.126 3.597 607 2HD PRO 78 HD1 PRO 78 1.930 4.487 2.984 608 H LYS 79 HN LYS 79 -0.278 6.829 4.962 609 HA LYS 79 HA LYS 79 -1.654 7.325 6.687 610 1HB LYS 79 HB2 LYS 79 0.746 8.889 7.617 611 2HB LYS 79 HB1 LYS 79 -0.763 8.873 8.520 612 1HG LYS 79 HG2 LYS 79 -0.602 6.423 8.705 613 2HG LYS 79 HG1 LYS 79 0.947 6.475 7.856 614 1HD LYS 79 HD2 LYS 79 1.971 7.680 9.627 615 2HD LYS 79 HD1 LYS 79 0.417 8.003 10.400 616 1HE LYS 79 HE2 LYS 79 1.561 5.237 10.028 617 2HE LYS 79 HE1 LYS 79 1.784 6.200 11.488 618 1HZ LYS 79 HZ1 LYS 79 -0.892 5.507 10.400 619 2HZ LYS 79 HZ2 LYS 79 -0.530 6.168 11.917 620 3HZ LYS 79 HZ3 LYS 79 -0.090 4.571 11.561 621 H GLY 80 HN GLY 80 0.076 10.249 5.697 622 1HA GLY 80 HA2 GLY 80 -1.835 11.591 4.349 623 2HA GLY 80 HA1 GLY 80 -2.289 11.884 6.024 624 H ALA 81 HN ALA 81 0.817 11.560 6.422 625 HA ALA 81 HA ALA 81 1.345 14.394 6.343 626 1HB ALA 81 HB1 ALA 81 3.388 13.857 7.527 627 2HB ALA 81 HB2 ALA 81 3.148 12.138 7.212 628 3HB ALA 81 HB3 ALA 81 2.029 13.007 8.262 629 H PHE 82 HN PHE 82 3.365 11.645 5.299 630 HA PHE 82 HA PHE 82 3.802 12.924 2.724 631 1HB PHE 82 HB2 PHE 82 6.218 12.900 2.904 632 2HB PHE 82 HB1 PHE 82 5.561 13.841 4.236 633 HD1 PHE 82 HD1 PHE 82 7.601 11.050 3.291 634 HD2 PHE 82 HD2 PHE 82 5.424 12.765 6.523 635 HE1 PHE 82 HE1 PHE 82 8.871 9.663 4.877 636 HE2 PHE 82 HE2 PHE 82 6.693 11.380 8.115 637 HZ PHE 82 HZ PHE 82 8.418 9.828 7.293 638 H LYS 83 HN LYS 83 4.703 11.486 1.159 639 HA LYS 83 HA LYS 83 4.142 8.704 1.801 640 1HB LYS 83 HB2 LYS 83 4.364 8.359 -0.681 641 2HB LYS 83 HB1 LYS 83 3.059 9.422 -0.185 642 1HG LYS 83 HG2 LYS 83 4.352 11.364 -0.815 643 2HG LYS 83 HG1 LYS 83 5.733 10.342 -1.224 644 1HD LYS 83 HD2 LYS 83 4.408 9.250 -2.966 645 2HD LYS 83 HD1 LYS 83 3.021 10.254 -2.546 646 1HE LYS 83 HE2 LYS 83 5.670 11.248 -3.593 647 2HE LYS 83 HE1 LYS 83 4.183 11.097 -4.528 648 1HZ LYS 83 HZ1 LYS 83 4.759 12.963 -2.299 649 2HZ LYS 83 HZ2 LYS 83 3.177 12.660 -2.839 650 3HZ LYS 83 HZ3 LYS 83 4.320 13.336 -3.897 651 H ALA 84 HN ALA 84 5.863 8.025 2.955 652 HA ALA 84 HA ALA 84 8.547 8.526 2.575 653 1HB ALA 84 HB1 ALA 84 7.307 5.954 3.546 654 2HB ALA 84 HB2 ALA 84 7.621 7.384 4.531 655 3HB ALA 84 HB3 ALA 84 8.966 6.483 3.829 656 H PHE 85 HN PHE 85 10.024 7.998 1.114 657 HA PHE 85 HA PHE 85 9.302 6.078 -0.997 658 1HB PHE 85 HB2 PHE 85 11.463 8.199 -0.956 659 2HB PHE 85 HB1 PHE 85 11.089 7.154 -2.316 660 HD1 PHE 85 HD1 PHE 85 10.283 10.184 -0.570 661 HD2 PHE 85 HD2 PHE 85 8.878 7.401 -3.466 662 HE1 PHE 85 HE1 PHE 85 8.694 11.863 -1.406 663 HE2 PHE 85 HE2 PHE 85 7.283 9.077 -4.303 664 HZ PHE 85 HZ PHE 85 7.194 11.311 -3.276 665 H THR 86 HN THR 86 11.025 4.699 -1.854 666 HA THR 86 HA THR 86 13.286 4.278 -0.032 667 HB THR 86 HB THR 86 11.691 2.083 -1.378 668 HG1 THR 86 HG1 THR 86 12.154 2.126 1.375 669 1HG2 THR 86 HG21 THR 86 14.166 1.918 0.348 670 2HG2 THR 86 HG22 THR 86 14.085 1.573 -1.380 671 3HG2 THR 86 HG23 THR 86 13.226 0.545 -0.233 672 H GLY 87 HN GLY 87 15.073 4.739 -1.063 673 1HA GLY 87 HA2 GLY 87 15.632 3.591 -3.662 674 2HA GLY 87 HA1 GLY 87 15.537 5.349 -3.655 675 H GLU 88 HN GLU 88 16.601 5.893 -1.173 676 HA GLU 88 HA GLU 88 19.396 5.682 -1.679 677 1HB GLU 88 HB2 GLU 88 17.944 6.601 0.810 678 2HB GLU 88 HB1 GLU 88 19.645 6.866 0.458 679 1HG GLU 88 HG2 GLU 88 19.081 8.263 -1.422 680 2HG GLU 88 HG1 GLU 88 17.365 7.931 -1.190 681 H GLY 89 HN GLY 89 17.123 4.080 0.479 682 1HA GLY 89 HA2 GLY 89 19.119 2.568 1.876 683 2HA GLY 89 HA1 GLY 89 17.382 2.297 1.919 684 H GLN 90 HN GLN 90 17.770 2.304 -1.208 685 HA GLN 90 HA GLN 90 18.176 -0.574 -1.350 686 1HB GLN 90 HB2 GLN 90 16.841 1.441 -3.073 687 2HB GLN 90 HB1 GLN 90 17.533 0.035 -3.872 688 1HG GLN 90 HG2 GLN 90 16.198 -1.437 -2.476 689 2HG GLN 90 HG1 GLN 90 15.541 -0.046 -1.616 690 1HE2 GLN 90 HE21 GLN 90 13.454 -0.717 -2.201 691 2HE2 GLN 90 HE22 GLN 90 12.840 -0.432 -3.796 692 H LYS 91 HN LYS 91 19.192 2.191 -3.387 693 HA LYS 91 HA LYS 91 21.837 0.927 -3.567 694 1HB LYS 91 HB2 LYS 91 21.964 1.349 -5.949 695 2HB LYS 91 HB1 LYS 91 20.557 0.359 -5.595 696 1HG LYS 91 HG2 LYS 91 19.144 2.384 -5.745 697 2HG LYS 91 HG1 LYS 91 20.575 3.307 -6.208 698 1HD LYS 91 HD2 LYS 91 20.871 1.758 -8.136 699 2HD LYS 91 HD1 LYS 91 19.339 0.998 -7.702 700 1HE LYS 91 HE2 LYS 91 18.237 3.208 -7.949 701 2HE LYS 91 HE1 LYS 91 19.772 3.866 -8.516 702 1HZ LYS 91 HZ1 LYS 91 18.452 3.320 -10.398 703 2HZ LYS 91 HZ2 LYS 91 18.134 1.761 -9.814 704 3HZ LYS 91 HZ3 LYS 91 19.700 2.175 -10.310 705 H LEU 92 HN LEU 92 19.906 3.777 -3.443 706 HA LEU 92 HA LEU 92 20.357 5.934 -2.935 707 1HB LEU 92 HB2 LEU 92 22.096 4.834 -1.426 708 2HB LEU 92 HB1 LEU 92 23.270 5.211 -2.667 709 HG LEU 92 HG LEU 92 21.595 7.330 -1.317 710 1HD1 LEU 92 HD11 LEU 92 24.365 6.382 -0.590 711 2HD1 LEU 92 HD12 LEU 92 22.902 6.123 0.360 712 3HD1 LEU 92 HD13 LEU 92 23.517 7.758 0.115 713 1HD2 LEU 92 HD21 LEU 92 23.358 8.829 -2.095 714 2HD2 LEU 92 HD22 LEU 92 22.615 7.978 -3.448 715 3HD2 LEU 92 HD23 LEU 92 24.194 7.472 -2.848 716 H GLY 93 HN GLY 93 23.148 4.744 -4.797 717 1HA GLY 93 HA2 GLY 93 22.744 5.658 -7.266 718 2HA GLY 93 HA1 GLY 93 23.120 7.156 -6.421 719 H SER 94 HN SER 94 24.512 5.170 -8.435 720 HA SER 94 HA SER 94 26.909 4.518 -6.946 721 1HB SER 94 HB2 SER 94 27.633 3.566 -9.191 722 2HB SER 94 HB1 SER 94 26.211 2.829 -8.452 723 HG SER 94 HG SER 94 25.867 3.252 -10.661 724 H THR 95 HN THR 95 26.141 7.332 -7.462 725 HA THR 95 HA THR 95 28.046 8.481 -9.221 726 HB THR 95 HB THR 95 26.843 9.790 -6.771 727 HG1 THR 95 HG1 THR 95 25.743 9.587 -9.408 728 1HG2 THR 95 HG21 THR 95 28.592 11.090 -7.883 729 2HG2 THR 95 HG22 THR 95 27.013 11.835 -8.138 730 3HG2 THR 95 HG23 THR 95 27.766 10.898 -9.429 731 H ALA 96 HN ALA 96 28.134 7.247 -6.002 732 HA ALA 96 HA ALA 96 31.034 7.724 -5.950 733 1HB ALA 96 HB1 ALA 96 30.955 7.855 -3.506 734 2HB ALA 96 HB2 ALA 96 29.198 7.693 -3.548 735 3HB ALA 96 HB3 ALA 96 29.969 9.123 -4.234 736 HA PRO 97 HA PRO 97 30.089 3.240 -6.344 737 1HB PRO 97 HB2 PRO 97 32.956 3.243 -7.107 738 2HB PRO 97 HB1 PRO 97 31.569 2.530 -7.938 739 1HG PRO 97 HG2 PRO 97 32.724 4.743 -8.871 740 2HG PRO 97 HG1 PRO 97 30.962 4.539 -8.929 741 1HD PRO 97 HD2 PRO 97 32.625 6.154 -7.035 742 2HD PRO 97 HD1 PRO 97 31.068 6.556 -7.790 743 H GLN 98 HN GLN 98 32.992 4.668 -4.909 744 HA GLN 98 HA GLN 98 33.014 2.492 -2.920 745 1HB GLN 98 HB2 GLN 98 35.347 4.124 -3.940 746 2HB GLN 98 HB1 GLN 98 35.433 2.901 -2.684 747 1HG GLN 98 HG2 GLN 98 34.859 1.176 -4.251 748 2HG GLN 98 HG1 GLN 98 34.595 2.370 -5.521 749 1HE2 GLN 98 HE21 GLN 98 36.950 0.698 -3.601 750 2HE2 GLN 98 HE22 GLN 98 38.335 1.142 -4.547 751 H VAL 99 HN VAL 99 32.793 3.066 -0.845 752 HA VAL 99 HA VAL 99 32.511 5.853 -0.156 753 HB VAL 99 HB VAL 99 31.025 4.209 0.867 754 1HG1 VAL 99 HG11 VAL 99 33.462 3.096 2.245 755 2HG1 VAL 99 HG12 VAL 99 32.541 2.302 0.967 756 3HG1 VAL 99 HG13 VAL 99 31.791 2.613 2.533 757 1HG2 VAL 99 HG21 VAL 99 31.405 6.249 2.082 758 2HG2 VAL 99 HG22 VAL 99 32.843 5.573 2.845 759 3HG2 VAL 99 HG23 VAL 99 31.252 4.913 3.224 760 H LEU 100 HN LEU 100 34.780 6.103 -1.009 761 HA LEU 100 HA LEU 100 36.559 6.611 1.160 762 1HB LEU 100 HB2 LEU 100 36.800 4.080 0.608 763 2HB LEU 100 HB1 LEU 100 37.600 4.626 -0.852 764 HG LEU 100 HG LEU 100 38.550 5.383 1.911 765 1HD1 LEU 100 HD11 LEU 100 39.452 3.096 0.165 766 2HD1 LEU 100 HD12 LEU 100 38.595 2.961 1.700 767 3HD1 LEU 100 HD13 LEU 100 40.228 3.623 1.659 768 1HD2 LEU 100 HD21 LEU 100 40.646 5.870 0.777 769 2HD2 LEU 100 HD22 LEU 100 39.331 6.813 0.075 770 3HD2 LEU 100 HD23 LEU 100 39.942 5.389 -0.767 771 H SER 101 HN SER 101 36.569 5.883 -2.308 772 HA SER 101 HA SER 101 38.514 7.827 -2.954 773 1HB SER 101 HB2 SER 101 36.533 6.393 -4.732 774 2HB SER 101 HB1 SER 101 37.973 7.255 -5.276 775 HG SER 101 HG SER 101 39.221 5.772 -4.040 776 H THR 102 HN THR 102 38.336 9.787 -3.911 777 HA THR 102 HA THR 102 35.821 10.879 -4.725 778 HB THR 102 HB THR 102 35.579 11.360 -2.379 779 HG1 THR 102 HG1 THR 102 34.944 13.037 -3.767 780 1HG2 THR 102 HG21 THR 102 37.920 11.180 -1.680 781 2HG2 THR 102 HG22 THR 102 37.190 12.678 -1.101 782 3HG2 THR 102 HG23 THR 102 38.282 12.708 -2.487 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -26.782 -6.145 -4.781 2 2H GLY 1 HT2 GLY 1 -28.159 -5.403 -5.428 3 3H GLY 1 HT3 GLY 1 -28.315 -6.791 -4.474 4 1HA GLY 1 HA1 GLY 1 -27.374 -4.132 -3.557 5 2HA GLY 1 HA2 GLY 1 -28.939 -4.854 -3.204 6 H SER 2 HN SER 2 -28.807 -5.082 -1.022 7 HA SER 2 HA SER 2 -26.431 -6.203 0.204 8 1HB SER 2 HB2 SER 2 -27.779 -5.912 2.315 9 2HB SER 2 HB1 SER 2 -27.537 -4.427 1.393 10 HG SER 2 HG SER 2 -29.869 -6.000 1.688 11 H GLU 3 HN GLU 3 -29.668 -7.184 -0.651 12 HA GLU 3 HA GLU 3 -29.687 -9.581 0.916 13 1HB GLU 3 HB2 GLU 3 -31.443 -9.020 -1.466 14 2HB GLU 3 HB1 GLU 3 -31.808 -10.000 -0.053 15 1HG GLU 3 HG2 GLU 3 -31.523 -7.005 -0.117 16 2HG GLU 3 HG1 GLU 3 -33.030 -7.910 0.005 17 H LYS 4 HN LYS 4 -29.324 -8.814 -2.508 18 HA LYS 4 HA LYS 4 -27.855 -11.337 -2.825 19 1HB LYS 4 HB2 LYS 4 -28.540 -11.114 -5.297 20 2HB LYS 4 HB1 LYS 4 -29.738 -11.693 -4.151 21 1HG LYS 4 HG2 LYS 4 -30.736 -9.459 -4.074 22 2HG LYS 4 HG1 LYS 4 -29.534 -8.891 -5.236 23 1HD LYS 4 HD2 LYS 4 -31.706 -9.449 -6.287 24 2HD LYS 4 HD1 LYS 4 -30.368 -10.416 -6.912 25 1HE LYS 4 HE2 LYS 4 -31.032 -12.250 -5.395 26 2HE LYS 4 HE1 LYS 4 -32.406 -11.284 -4.860 27 1HZ LYS 4 HZ1 LYS 4 -33.303 -11.334 -7.076 28 2HZ LYS 4 HZ2 LYS 4 -32.992 -12.922 -6.576 29 3HZ LYS 4 HZ3 LYS 4 -31.940 -12.155 -7.663 30 H ARG 5 HN ARG 5 -25.822 -10.692 -2.630 31 HA ARG 5 HA ARG 5 -25.000 -8.220 -4.000 32 1HB ARG 5 HB2 ARG 5 -23.141 -8.194 -2.296 33 2HB ARG 5 HB1 ARG 5 -24.760 -7.923 -1.662 34 1HG ARG 5 HG2 ARG 5 -24.850 -10.295 -0.973 35 2HG ARG 5 HG1 ARG 5 -23.186 -10.486 -1.529 36 1HD ARG 5 HD2 ARG 5 -22.388 -8.932 0.099 37 2HD ARG 5 HD1 ARG 5 -24.031 -8.475 0.548 38 HE ARG 5 HE ARG 5 -24.035 -11.090 1.106 39 1HH1 ARG 5 HH11 ARG 5 -21.658 -8.624 1.851 40 2HH1 ARG 5 HH12 ARG 5 -21.210 -9.342 3.371 41 1HH2 ARG 5 HH21 ARG 5 -23.449 -12.025 3.085 42 2HH2 ARG 5 HH22 ARG 5 -22.230 -11.268 4.070 43 H GLN 6 HN GLN 6 -22.735 -8.108 -4.604 44 HA GLN 6 HA GLN 6 -21.387 -10.612 -5.199 45 1HB GLN 6 HB2 GLN 6 -22.805 -10.321 -7.166 46 2HB GLN 6 HB1 GLN 6 -22.231 -8.671 -7.368 47 1HG GLN 6 HG2 GLN 6 -21.128 -10.053 -8.966 48 2HG GLN 6 HG1 GLN 6 -19.950 -9.568 -7.750 49 1HE2 GLN 6 HE21 GLN 6 -19.849 -11.803 -9.578 50 2HE2 GLN 6 HE22 GLN 6 -19.725 -13.230 -8.604 51 H HIS 7 HN HIS 7 -21.472 -7.101 -5.191 52 HA HIS 7 HA HIS 7 -18.570 -7.113 -4.766 53 1HB HIS 7 HB2 HIS 7 -18.421 -4.954 -6.049 54 2HB HIS 7 HB1 HIS 7 -18.763 -6.373 -7.028 55 HD1 HIS 7 HD1 HIS 7 -20.027 -3.031 -6.203 56 HD2 HIS 7 HD2 HIS 7 -21.508 -6.502 -7.949 57 HE1 HIS 7 HE1 HIS 7 -22.115 -2.340 -7.417 58 HE2 HIS 7 HE2 HIS 7 -22.898 -4.419 -8.611 59 H SER 8 HN SER 8 -19.325 -7.107 -2.564 60 HA SER 8 HA SER 8 -19.562 -4.377 -1.596 61 1HB SER 8 HB2 SER 8 -21.428 -6.566 -0.639 62 2HB SER 8 HB1 SER 8 -21.390 -4.894 -0.077 63 HG SER 8 HG SER 8 -21.659 -4.626 -2.604 64 H SER 9 HN SER 9 -19.031 -4.256 0.747 65 HA SER 9 HA SER 9 -17.387 -4.528 2.292 66 1HB SER 9 HB2 SER 9 -18.890 -6.502 2.847 67 2HB SER 9 HB1 SER 9 -17.792 -7.507 1.902 68 HG SER 9 HG SER 9 -16.140 -7.028 3.339 69 H GLN 10 HN GLN 10 -16.476 -3.992 -0.163 70 HA GLN 10 HA GLN 10 -14.464 -5.934 -0.951 71 1HB GLN 10 HB2 GLN 10 -15.343 -3.350 -2.251 72 2HB GLN 10 HB1 GLN 10 -14.154 -4.462 -2.918 73 1HG GLN 10 HG2 GLN 10 -17.009 -5.168 -2.326 74 2HG GLN 10 HG1 GLN 10 -16.411 -4.685 -3.912 75 1HE2 GLN 10 HE21 GLN 10 -13.870 -6.104 -3.544 76 2HE2 GLN 10 HE22 GLN 10 -14.246 -7.783 -3.731 77 H ASP 11 HN ASP 11 -14.078 -4.840 1.458 78 HA ASP 11 HA ASP 11 -12.615 -2.938 2.291 79 1HB ASP 11 HB2 ASP 11 -12.432 -4.635 3.776 80 2HB ASP 11 HB1 ASP 11 -12.234 -5.847 2.520 81 H VAL 12 HN VAL 12 -10.944 -1.655 1.743 82 HA VAL 12 HA VAL 12 -9.073 -2.572 -0.264 83 HB VAL 12 HB VAL 12 -7.809 -0.430 0.363 84 1HG1 VAL 12 HG11 VAL 12 -9.273 0.891 -1.201 85 2HG1 VAL 12 HG12 VAL 12 -10.334 -0.516 -1.233 86 3HG1 VAL 12 HG13 VAL 12 -8.670 -0.657 -1.787 87 1HG2 VAL 12 HG21 VAL 12 -9.189 1.417 1.135 88 2HG2 VAL 12 HG22 VAL 12 -9.081 0.146 2.352 89 3HG2 VAL 12 HG23 VAL 12 -10.539 0.315 1.381 90 H HIS 13 HN HIS 13 -7.531 -3.817 0.267 91 HA HIS 13 HA HIS 13 -6.316 -3.567 2.913 92 1HB HIS 13 HB2 HIS 13 -6.954 -5.881 2.113 93 2HB HIS 13 HB1 HIS 13 -5.776 -5.691 0.816 94 HD1 HIS 13 HD1 HIS 13 -3.588 -6.731 1.356 95 HD2 HIS 13 HD2 HIS 13 -5.571 -5.391 4.747 96 HE1 HIS 13 HE1 HIS 13 -2.058 -7.257 3.282 97 HE2 HIS 13 HE2 HIS 13 -3.148 -6.154 5.269 98 H VAL 14 HN VAL 14 -4.788 -2.092 2.916 99 HA VAL 14 HA VAL 14 -3.761 -1.306 0.289 100 HB VAL 14 HB VAL 14 -3.523 0.321 2.803 101 1HG1 VAL 14 HG11 VAL 14 -3.709 1.078 -0.108 102 2HG1 VAL 14 HG12 VAL 14 -2.239 1.038 0.866 103 3HG1 VAL 14 HG13 VAL 14 -3.514 2.197 1.241 104 1HG2 VAL 14 HG21 VAL 14 -5.631 1.422 2.281 105 2HG2 VAL 14 HG22 VAL 14 -5.876 -0.292 2.610 106 3HG2 VAL 14 HG23 VAL 14 -5.901 0.298 0.948 107 H VAL 15 HN VAL 15 -2.013 -2.444 -0.042 108 HA VAL 15 HA VAL 15 -0.042 -2.806 2.011 109 HB VAL 15 HB VAL 15 -0.280 -4.628 0.493 110 1HG1 VAL 15 HG11 VAL 15 0.163 -4.402 -1.937 111 2HG1 VAL 15 HG12 VAL 15 0.166 -2.649 -1.729 112 3HG1 VAL 15 HG13 VAL 15 -1.296 -3.579 -1.394 113 1HG2 VAL 15 HG21 VAL 15 2.246 -3.133 -0.179 114 2HG2 VAL 15 HG22 VAL 15 1.977 -4.859 -0.427 115 3HG2 VAL 15 HG23 VAL 15 1.998 -4.194 1.207 116 H LEU 16 HN LEU 16 1.168 -1.193 2.591 117 HA LEU 16 HA LEU 16 1.865 0.834 0.591 118 1HB LEU 16 HB2 LEU 16 0.780 1.309 2.957 119 2HB LEU 16 HB1 LEU 16 2.433 1.148 3.513 120 HG LEU 16 HG LEU 16 1.362 3.148 1.542 121 1HD1 LEU 16 HD11 LEU 16 0.857 3.819 3.761 122 2HD1 LEU 16 HD12 LEU 16 2.248 4.768 3.218 123 3HD1 LEU 16 HD13 LEU 16 2.480 3.406 4.315 124 1HD2 LEU 16 HD21 LEU 16 3.563 2.471 0.808 125 2HD2 LEU 16 HD22 LEU 16 4.200 2.685 2.438 126 3HD2 LEU 16 HD23 LEU 16 3.648 4.083 1.519 127 H LYS 17 HN LYS 17 3.717 0.416 -0.342 128 HA LYS 17 HA LYS 17 5.858 -0.717 1.298 129 1HB LYS 17 HB2 LYS 17 5.693 -0.546 -1.723 130 2HB LYS 17 HB1 LYS 17 6.982 -1.296 -0.801 131 1HG LYS 17 HG2 LYS 17 5.500 -3.021 -0.023 132 2HG LYS 17 HG1 LYS 17 4.114 -2.213 -0.760 133 1HD LYS 17 HD2 LYS 17 5.137 -2.504 -2.967 134 2HD LYS 17 HD1 LYS 17 6.497 -3.332 -2.219 135 1HE LYS 17 HE2 LYS 17 3.654 -4.277 -1.963 136 2HE LYS 17 HE1 LYS 17 4.706 -4.791 -3.275 137 1HZ LYS 17 HZ1 LYS 17 4.825 -6.449 -1.650 138 2HZ LYS 17 HZ2 LYS 17 4.977 -5.347 -0.374 139 3HZ LYS 17 HZ3 LYS 17 6.258 -5.573 -1.461 140 H LEU 18 HN LEU 18 7.617 0.394 1.680 141 HA LEU 18 HA LEU 18 7.596 3.273 1.060 142 1HB LEU 18 HB2 LEU 18 7.644 2.842 3.376 143 2HB LEU 18 HB1 LEU 18 8.713 1.467 3.200 144 HG LEU 18 HG LEU 18 10.448 3.307 2.476 145 1HD1 LEU 18 HD11 LEU 18 8.596 4.875 4.258 146 2HD1 LEU 18 HD12 LEU 18 8.846 5.179 2.534 147 3HD1 LEU 18 HD13 LEU 18 10.186 5.376 3.676 148 1HD2 LEU 18 HD21 LEU 18 9.599 2.835 5.325 149 2HD2 LEU 18 HD22 LEU 18 11.176 3.425 4.799 150 3HD2 LEU 18 HD23 LEU 18 10.654 1.795 4.370 151 H TRP 19 HN TRP 19 9.019 3.990 -0.421 152 HA TRP 19 HA TRP 19 11.148 2.146 -1.273 153 1HB TRP 19 HB2 TRP 19 9.920 4.348 -2.930 154 2HB TRP 19 HB1 TRP 19 10.952 3.039 -3.482 155 HD1 TRP 19 HD1 TRP 19 7.452 4.036 -3.222 156 HE1 TRP 19 HE1 TRP 19 5.908 2.098 -3.859 157 HE3 TRP 19 HE3 TRP 19 10.802 0.150 -2.940 158 HZ2 TRP 19 HZ2 TRP 19 6.046 -0.659 -4.180 159 HZ3 TRP 19 HZ3 TRP 19 9.970 -2.117 -3.406 160 HH2 TRP 19 HH2 TRP 19 7.643 -2.515 -4.000 161 H LYS 20 HN LYS 20 12.690 3.857 -2.793 162 HA LYS 20 HA LYS 20 14.012 5.273 -0.679 163 1HB LYS 20 HB2 LYS 20 15.736 5.772 -2.452 164 2HB LYS 20 HB1 LYS 20 15.460 4.075 -2.099 165 1HG LYS 20 HG2 LYS 20 15.536 4.007 -4.369 166 2HG LYS 20 HG1 LYS 20 13.807 4.262 -4.140 167 1HD LYS 20 HD2 LYS 20 14.080 6.641 -4.545 168 2HD LYS 20 HD1 LYS 20 15.828 6.438 -4.684 169 1HE LYS 20 HE2 LYS 20 13.798 5.121 -6.482 170 2HE LYS 20 HE1 LYS 20 14.663 6.608 -6.871 171 1HZ LYS 20 HZ1 LYS 20 16.014 4.026 -6.273 172 2HZ LYS 20 HZ2 LYS 20 16.722 5.445 -6.879 173 3HZ LYS 20 HZ3 LYS 20 15.643 4.560 -7.839 174 H SER 21 HN SER 21 12.161 6.132 -3.518 175 HA SER 21 HA SER 21 12.739 8.954 -3.084 176 1HB SER 21 HB2 SER 21 11.351 9.159 -5.243 177 2HB SER 21 HB1 SER 21 12.933 8.386 -5.362 178 HG SER 21 HG SER 21 10.842 7.359 -6.281 179 H GLY 22 HN GLY 22 10.132 6.625 -2.834 180 1HA GLY 22 HA2 GLY 22 8.595 8.414 -1.223 181 2HA GLY 22 HA1 GLY 22 7.903 8.219 -2.826 182 H PHE 23 HN PHE 23 6.043 7.276 -1.903 183 HA PHE 23 HA PHE 23 6.413 4.482 -1.057 184 1HB PHE 23 HB2 PHE 23 4.736 4.706 0.683 185 2HB PHE 23 HB1 PHE 23 5.922 5.992 0.913 186 HD1 PHE 23 HD1 PHE 23 5.389 8.285 0.012 187 HD2 PHE 23 HD2 PHE 23 2.470 5.204 0.356 188 HE1 PHE 23 HE1 PHE 23 3.596 9.923 -0.287 189 HE2 PHE 23 HE2 PHE 23 0.692 6.866 0.127 190 HZ PHE 23 HZ PHE 23 1.256 9.225 -0.212 191 H SER 24 HN SER 24 4.484 3.162 -1.391 192 HA SER 24 HA SER 24 2.582 4.240 -3.369 193 1HB SER 24 HB2 SER 24 2.885 2.232 -4.758 194 2HB SER 24 HB1 SER 24 4.432 3.048 -4.552 195 HG SER 24 HG SER 24 4.758 1.542 -2.742 196 H LEU 25 HN LEU 25 0.573 3.361 -3.299 197 HA LEU 25 HA LEU 25 0.000 1.656 -0.975 198 1HB LEU 25 HB2 LEU 25 -1.962 3.305 -2.567 199 2HB LEU 25 HB1 LEU 25 -2.231 2.552 -1.012 200 HG LEU 25 HG LEU 25 -2.039 4.853 -0.593 201 1HD1 LEU 25 HD11 LEU 25 0.665 3.709 0.013 202 2HD1 LEU 25 HD12 LEU 25 -0.802 3.392 0.938 203 3HD1 LEU 25 HD13 LEU 25 -0.150 5.028 0.854 204 1HD2 LEU 25 HD21 LEU 25 -1.028 5.425 -2.786 205 2HD2 LEU 25 HD22 LEU 25 0.540 4.931 -2.143 206 3HD2 LEU 25 HD23 LEU 25 -0.323 6.293 -1.425 207 H ASP 26 HN ASP 26 -2.197 0.372 -1.443 208 HA ASP 26 HA ASP 26 -1.818 -1.394 -3.620 209 1HB ASP 26 HB2 ASP 26 -3.014 -2.083 -1.609 210 2HB ASP 26 HB1 ASP 26 -4.254 -0.870 -1.896 211 H ASN 27 HN ASN 27 -3.118 1.716 -3.436 212 HA ASN 27 HA ASN 27 -5.122 1.400 -5.480 213 1HB ASN 27 HB2 ASN 27 -5.498 3.845 -5.138 214 2HB ASN 27 HB1 ASN 27 -5.622 2.918 -3.635 215 1HD2 ASN 27 HD21 ASN 27 -5.095 4.697 -2.323 216 2HD2 ASN 27 HD22 ASN 27 -3.500 5.382 -2.287 217 H GLY 28 HN GLY 28 -1.774 2.060 -5.512 218 1HA GLY 28 HA2 GLY 28 -1.725 2.544 -8.296 219 2HA GLY 28 HA1 GLY 28 -1.592 4.067 -7.436 220 H GLU 29 HN GLU 29 0.459 4.498 -8.133 221 HA GLU 29 HA GLU 29 2.511 2.462 -7.662 222 1HB GLU 29 HB2 GLU 29 2.478 4.826 -9.540 223 2HB GLU 29 HB1 GLU 29 3.821 3.705 -9.361 224 1HG GLU 29 HG2 GLU 29 2.529 1.896 -10.217 225 2HG GLU 29 HG1 GLU 29 1.052 2.855 -10.173 226 H LEU 30 HN LEU 30 4.755 3.958 -7.856 227 HA LEU 30 HA LEU 30 5.024 4.852 -5.140 228 1HB LEU 30 HB2 LEU 30 6.585 3.339 -6.177 229 2HB LEU 30 HB1 LEU 30 6.919 4.456 -7.465 230 HG LEU 30 HG LEU 30 8.224 4.078 -4.910 231 1HD1 LEU 30 HD11 LEU 30 8.971 5.676 -7.332 232 2HD1 LEU 30 HD12 LEU 30 9.285 3.962 -7.081 233 3HD1 LEU 30 HD13 LEU 30 10.051 5.157 -6.036 234 1HD2 LEU 30 HD21 LEU 30 8.748 6.389 -4.416 235 2HD2 LEU 30 HD22 LEU 30 7.031 6.058 -4.190 236 3HD2 LEU 30 HD23 LEU 30 7.583 6.925 -5.625 237 H ARG 31 HN ARG 31 4.639 6.877 -4.546 238 HA ARG 31 HA ARG 31 5.293 9.072 -6.411 239 1HB ARG 31 HB2 ARG 31 3.526 9.218 -3.963 240 2HB ARG 31 HB1 ARG 31 3.779 10.480 -5.158 241 1HG ARG 31 HG2 ARG 31 2.772 8.887 -6.849 242 2HG ARG 31 HG1 ARG 31 2.287 7.899 -5.464 243 1HD ARG 31 HD2 ARG 31 0.465 9.375 -6.148 244 2HD ARG 31 HD1 ARG 31 1.050 9.813 -4.542 245 HE ARG 31 HE ARG 31 2.041 11.761 -5.450 246 1HH1 ARG 31 HH11 ARG 31 0.238 9.931 -7.840 247 2HH1 ARG 31 HH12 ARG 31 0.100 11.273 -8.938 248 1HH2 ARG 31 HH21 ARG 31 1.864 13.511 -6.899 249 2HH2 ARG 31 HH22 ARG 31 1.034 13.289 -8.413 250 H SER 32 HN SER 32 6.927 10.375 -5.910 251 HA SER 32 HA SER 32 8.641 9.842 -3.718 252 1HB SER 32 HB2 SER 32 9.476 10.708 -5.850 253 2HB SER 32 HB1 SER 32 8.552 12.194 -5.629 254 HG SER 32 HG SER 32 10.945 12.014 -4.987 255 H TYR 33 HN TYR 33 8.871 10.845 -1.765 256 HA TYR 33 HA TYR 33 6.555 11.782 -0.542 257 1HB TYR 33 HB2 TYR 33 9.310 12.392 0.498 258 2HB TYR 33 HB1 TYR 33 7.841 12.122 1.423 259 HD1 TYR 33 HD1 TYR 33 10.847 10.730 0.312 260 HD2 TYR 33 HD2 TYR 33 6.819 9.651 1.184 261 HE1 TYR 33 HE1 TYR 33 11.539 8.396 0.599 262 HE2 TYR 33 HE2 TYR 33 7.506 7.308 1.473 263 HH TYR 33 HH TYR 33 10.793 6.395 1.677 264 H GLN 34 HN GLN 34 8.885 13.555 -2.337 265 HA GLN 34 HA GLN 34 8.500 16.112 -1.152 266 1HB GLN 34 HB2 GLN 34 9.496 15.328 -3.897 267 2HB GLN 34 HB1 GLN 34 9.549 16.962 -3.252 268 1HG GLN 34 HG2 GLN 34 10.889 14.625 -1.926 269 2HG GLN 34 HG1 GLN 34 11.684 15.650 -3.117 270 1HE2 GLN 34 HE21 GLN 34 13.219 16.303 -1.638 271 2HE2 GLN 34 HE22 GLN 34 12.867 17.431 -0.367 272 H ASP 35 HN ASP 35 6.902 14.332 -3.708 273 HA ASP 35 HA ASP 35 5.473 16.423 -4.901 274 1HB ASP 35 HB2 ASP 35 5.466 14.477 -6.147 275 2HB ASP 35 HB1 ASP 35 5.141 13.456 -4.754 276 HA PRO 36 HA PRO 36 2.846 17.620 -1.560 277 1HB PRO 36 HB2 PRO 36 1.284 18.953 -3.683 278 2HB PRO 36 HB1 PRO 36 2.072 19.644 -2.262 279 1HG PRO 36 HG2 PRO 36 3.071 20.022 -4.709 280 2HG PRO 36 HG1 PRO 36 4.131 19.786 -3.307 281 1HD PRO 36 HD2 PRO 36 3.350 17.836 -5.442 282 2HD PRO 36 HD1 PRO 36 4.935 18.103 -4.684 283 H SER 37 HN SER 37 1.793 15.798 -4.294 284 HA SER 37 HA SER 37 -0.963 15.653 -3.499 285 1HB SER 37 HB2 SER 37 -0.250 15.427 -5.869 286 2HB SER 37 HB1 SER 37 0.551 13.911 -5.458 287 HG SER 37 HG SER 37 -2.158 14.224 -4.788 288 H ASN 38 HN ASN 38 1.938 13.682 -3.060 289 HA ASN 38 HA ASN 38 0.357 11.677 -1.652 290 1HB ASN 38 HB2 ASN 38 2.340 10.338 -1.523 291 2HB ASN 38 HB1 ASN 38 2.133 10.907 -3.170 292 1HD2 ASN 38 HD21 ASN 38 3.599 12.277 -4.039 293 2HD2 ASN 38 HD22 ASN 38 5.131 12.592 -3.293 294 H ALA 39 HN ALA 39 2.412 14.335 -0.974 295 HA ALA 39 HA ALA 39 3.184 13.979 1.627 296 1HB ALA 39 HB1 ALA 39 2.943 16.384 1.941 297 2HB ALA 39 HB2 ALA 39 1.915 16.480 0.511 298 3HB ALA 39 HB3 ALA 39 3.612 16.026 0.349 299 H GLN 40 HN GLN 40 -0.045 14.600 0.418 300 HA GLN 40 HA GLN 40 -1.522 14.945 2.725 301 1HB GLN 40 HB2 GLN 40 -2.524 15.051 0.513 302 2HB GLN 40 HB1 GLN 40 -2.193 13.344 0.249 303 1HG GLN 40 HG2 GLN 40 -3.648 13.115 2.454 304 2HG GLN 40 HG1 GLN 40 -4.301 14.644 1.867 305 1HE2 GLN 40 HE21 GLN 40 -3.947 11.255 1.256 306 2HE2 GLN 40 HE22 GLN 40 -5.143 11.120 0.003 307 H PHE 41 HN PHE 41 -0.818 11.859 1.089 308 HA PHE 41 HA PHE 41 -2.007 10.162 2.940 309 1HB PHE 41 HB2 PHE 41 0.477 9.514 1.353 310 2HB PHE 41 HB1 PHE 41 -0.694 8.372 2.003 311 HD1 PHE 41 HD1 PHE 41 0.302 10.343 -0.736 312 HD2 PHE 41 HD2 PHE 41 -3.052 8.427 1.010 313 HE1 PHE 41 HE1 PHE 41 -0.845 10.390 -2.913 314 HE2 PHE 41 HE2 PHE 41 -4.209 8.462 -1.154 315 HZ PHE 41 HZ PHE 41 -3.105 9.445 -3.123 316 H LEU 42 HN LEU 42 1.401 11.156 2.674 317 HA LEU 42 HA LEU 42 2.551 9.797 4.734 318 1HB LEU 42 HB2 LEU 42 2.977 12.571 3.720 319 2HB LEU 42 HB1 LEU 42 3.817 12.041 5.143 320 HG LEU 42 HG LEU 42 4.699 10.113 3.769 321 1HD1 LEU 42 HD11 LEU 42 4.758 10.489 1.379 322 2HD1 LEU 42 HD12 LEU 42 3.661 11.860 1.577 323 3HD1 LEU 42 HD13 LEU 42 3.122 10.227 1.988 324 1HD2 LEU 42 HD21 LEU 42 6.082 12.020 4.399 325 2HD2 LEU 42 HD22 LEU 42 5.481 12.921 3.005 326 3HD2 LEU 42 HD23 LEU 42 6.458 11.473 2.766 327 H GLU 43 HN GLU 43 1.033 12.956 4.988 328 HA GLU 43 HA GLU 43 1.253 13.184 7.788 329 1HB GLU 43 HB2 GLU 43 0.921 15.053 6.118 330 2HB GLU 43 HB1 GLU 43 -0.775 14.590 6.061 331 1HG GLU 43 HG2 GLU 43 -0.467 16.444 7.569 332 2HG GLU 43 HG1 GLU 43 -0.959 15.007 8.465 333 H SER 44 HN SER 44 -1.635 12.456 5.773 334 HA SER 44 HA SER 44 -3.405 12.148 7.909 335 1HB SER 44 HB2 SER 44 -3.543 10.577 5.322 336 2HB SER 44 HB1 SER 44 -4.875 11.035 6.377 337 HG SER 44 HG SER 44 -3.823 13.301 5.811 338 H ILE 45 HN ILE 45 -1.247 9.786 6.382 339 HA ILE 45 HA ILE 45 -2.458 7.581 7.778 340 HB ILE 45 HB ILE 45 0.156 7.618 6.249 341 1HG1 ILE 45 HG12 ILE 45 -2.625 6.825 5.339 342 2HG1 ILE 45 HG11 ILE 45 -1.801 8.311 4.877 343 1HG2 ILE 45 HG21 ILE 45 -0.108 5.228 6.124 344 2HG2 ILE 45 HG22 ILE 45 -1.664 5.322 6.948 345 3HG2 ILE 45 HG23 ILE 45 -0.180 5.717 7.820 346 1HD1 ILE 45 HD11 ILE 45 -1.677 6.629 3.125 347 2HD1 ILE 45 HD12 ILE 45 -0.874 5.519 4.237 348 3HD1 ILE 45 HD13 ILE 45 -0.075 7.016 3.754 349 H ARG 46 HN ARG 46 0.374 9.638 8.303 350 HA ARG 46 HA ARG 46 1.412 8.070 10.456 351 1HB ARG 46 HB2 ARG 46 2.834 9.949 10.976 352 2HB ARG 46 HB1 ARG 46 2.775 9.768 9.228 353 1HG ARG 46 HG2 ARG 46 1.250 11.609 9.032 354 2HG ARG 46 HG1 ARG 46 1.112 11.731 10.785 355 1HD ARG 46 HD2 ARG 46 2.577 13.451 9.844 356 2HD ARG 46 HD1 ARG 46 3.437 12.382 10.951 357 HE ARG 46 HE ARG 46 4.122 11.220 8.745 358 1HH1 ARG 46 HH11 ARG 46 3.583 14.656 9.090 359 2HH1 ARG 46 HH12 ARG 46 4.846 15.101 7.984 360 1HH2 ARG 46 HH21 ARG 46 5.762 11.785 7.244 361 2HH2 ARG 46 HH22 ARG 46 6.081 13.469 6.926 362 H ARG 47 HN ARG 47 -1.090 10.443 10.137 363 HA ARG 47 HA ARG 47 -1.413 10.837 12.969 364 1HB ARG 47 HB2 ARG 47 -3.135 11.627 10.635 365 2HB ARG 47 HB1 ARG 47 -3.398 12.148 12.291 366 1HG ARG 47 HG2 ARG 47 -1.147 12.852 10.443 367 2HG ARG 47 HG1 ARG 47 -2.274 13.927 11.273 368 1HD ARG 47 HD2 ARG 47 -1.281 13.411 13.399 369 2HD ARG 47 HD1 ARG 47 -0.264 12.174 12.659 370 HE ARG 47 HE ARG 47 0.421 14.454 11.337 371 1HH1 ARG 47 HH11 ARG 47 0.276 13.520 14.703 372 2HH1 ARG 47 HH12 ARG 47 1.577 14.563 15.185 373 1HH2 ARG 47 HH21 ARG 47 2.128 15.829 11.960 374 2HH2 ARG 47 HH22 ARG 47 2.623 15.892 13.630 375 H GLY 48 HN GLY 48 -2.342 8.464 10.765 376 1HA GLY 48 HA2 GLY 48 -3.438 6.469 11.358 377 2HA GLY 48 HA1 GLY 48 -4.112 7.282 12.763 378 H GLU 49 HN GLU 49 -4.385 9.119 9.951 379 HA GLU 49 HA GLU 49 -7.241 8.563 9.805 380 1HB GLU 49 HB2 GLU 49 -5.566 10.646 8.403 381 2HB GLU 49 HB1 GLU 49 -7.321 10.526 8.341 382 1HG GLU 49 HG2 GLU 49 -7.441 10.953 10.740 383 2HG GLU 49 HG1 GLU 49 -5.683 11.058 10.812 384 H VAL 50 HN VAL 50 -8.189 8.538 7.543 385 HA VAL 50 HA VAL 50 -6.528 6.744 5.900 386 HB VAL 50 HB VAL 50 -9.545 6.746 6.114 387 1HG1 VAL 50 HG11 VAL 50 -8.741 6.083 3.912 388 2HG1 VAL 50 HG12 VAL 50 -9.408 4.697 4.775 389 3HG1 VAL 50 HG13 VAL 50 -7.660 4.901 4.648 390 1HG2 VAL 50 HG21 VAL 50 -7.514 4.794 7.205 391 2HG2 VAL 50 HG22 VAL 50 -9.264 4.576 7.236 392 3HG2 VAL 50 HG23 VAL 50 -8.523 5.887 8.153 393 HA PRO 51 HA PRO 51 -6.908 10.025 2.860 394 1HB PRO 51 HB2 PRO 51 -5.539 8.064 1.150 395 2HB PRO 51 HB1 PRO 51 -5.029 9.682 1.621 396 1HG PRO 51 HG2 PRO 51 -3.849 7.464 2.558 397 2HG PRO 51 HG1 PRO 51 -3.988 8.952 3.512 398 1HD PRO 51 HD2 PRO 51 -5.549 6.415 3.697 399 2HD PRO 51 HD1 PRO 51 -5.008 7.504 4.993 400 H ALA 52 HN ALA 52 -8.235 10.353 1.112 401 HA ALA 52 HA ALA 52 -10.428 8.561 0.863 402 1HB ALA 52 HB1 ALA 52 -10.712 10.986 0.769 403 2HB ALA 52 HB2 ALA 52 -11.344 10.208 -0.681 404 3HB ALA 52 HB3 ALA 52 -9.791 11.040 -0.734 405 H GLU 53 HN GLU 53 -7.464 8.804 -0.761 406 HA GLU 53 HA GLU 53 -8.136 7.894 -3.328 407 1HB GLU 53 HB2 GLU 53 -5.646 7.611 -1.652 408 2HB GLU 53 HB1 GLU 53 -5.734 7.006 -3.299 409 1HG GLU 53 HG2 GLU 53 -4.661 9.214 -3.111 410 2HG GLU 53 HG1 GLU 53 -6.090 9.229 -4.147 411 H LEU 54 HN LEU 54 -7.278 6.139 -0.382 412 HA LEU 54 HA LEU 54 -7.735 3.595 -1.704 413 1HB LEU 54 HB2 LEU 54 -7.169 2.802 0.745 414 2HB LEU 54 HB1 LEU 54 -5.910 3.245 -0.383 415 HG LEU 54 HG LEU 54 -6.977 5.279 1.545 416 1HD1 LEU 54 HD11 LEU 54 -5.139 4.549 3.056 417 2HD1 LEU 54 HD12 LEU 54 -4.923 3.132 2.023 418 3HD1 LEU 54 HD13 LEU 54 -6.436 3.361 2.896 419 1HD2 LEU 54 HD21 LEU 54 -4.729 6.195 1.300 420 2HD2 LEU 54 HD22 LEU 54 -5.470 5.998 -0.286 421 3HD2 LEU 54 HD23 LEU 54 -4.270 4.837 0.275 422 H ARG 55 HN ARG 55 -9.038 5.617 0.852 423 HA ARG 55 HA ARG 55 -10.996 3.843 1.792 424 1HB ARG 55 HB2 ARG 55 -10.586 5.682 3.170 425 2HB ARG 55 HB1 ARG 55 -10.632 6.822 1.834 426 1HG ARG 55 HG2 ARG 55 -12.562 7.126 3.231 427 2HG ARG 55 HG1 ARG 55 -13.049 6.489 1.652 428 1HD ARG 55 HD2 ARG 55 -13.012 4.203 2.691 429 2HD ARG 55 HD1 ARG 55 -12.814 4.990 4.258 430 HE ARG 55 HE ARG 55 -15.098 5.777 2.607 431 1HH1 ARG 55 HH11 ARG 55 -13.878 4.060 5.408 432 2HH1 ARG 55 HH12 ARG 55 -15.441 3.874 6.141 433 1HH2 ARG 55 HH21 ARG 55 -17.156 5.518 3.558 434 2HH2 ARG 55 HH22 ARG 55 -17.312 4.711 5.090 435 H ARG 56 HN ARG 56 -11.463 6.618 -0.408 436 HA ARG 56 HA ARG 56 -13.891 5.476 -1.412 437 1HB ARG 56 HB2 ARG 56 -13.531 7.939 -1.201 438 2HB ARG 56 HB1 ARG 56 -12.334 7.837 -2.483 439 1HG ARG 56 HG2 ARG 56 -14.579 8.648 -3.205 440 2HG ARG 56 HG1 ARG 56 -13.986 7.242 -4.088 441 1HD ARG 56 HD2 ARG 56 -15.738 6.852 -1.699 442 2HD ARG 56 HD1 ARG 56 -16.461 7.331 -3.235 443 HE ARG 56 HE ARG 56 -15.077 5.258 -4.055 444 1HH1 ARG 56 HH11 ARG 56 -16.871 5.549 -1.064 445 2HH1 ARG 56 HH12 ARG 56 -17.277 3.864 -0.992 446 1HH2 ARG 56 HH21 ARG 56 -15.620 3.055 -3.984 447 2HH2 ARG 56 HH22 ARG 56 -16.594 2.448 -2.671 448 H LEU 57 HN LEU 57 -11.854 3.711 -1.639 449 HA LEU 57 HA LEU 57 -11.920 3.298 -4.552 450 1HB LEU 57 HB2 LEU 57 -9.615 3.687 -3.848 451 2HB LEU 57 HB1 LEU 57 -9.768 2.441 -2.625 452 HG LEU 57 HG LEU 57 -9.976 0.725 -4.323 453 1HD1 LEU 57 HD11 LEU 57 -9.729 2.969 -6.325 454 2HD1 LEU 57 HD12 LEU 57 -11.182 2.021 -6.009 455 3HD1 LEU 57 HD13 LEU 57 -9.756 1.244 -6.693 456 1HD2 LEU 57 HD21 LEU 57 -7.749 1.358 -3.615 457 2HD2 LEU 57 HD22 LEU 57 -7.696 2.608 -4.856 458 3HD2 LEU 57 HD23 LEU 57 -7.751 0.907 -5.319 459 H ALA 58 HN ALA 58 -11.445 1.686 -1.428 460 HA ALA 58 HA ALA 58 -12.612 -0.766 -2.015 461 1HB ALA 58 HB1 ALA 58 -11.531 -0.615 0.053 462 2HB ALA 58 HB2 ALA 58 -13.241 -0.836 0.430 463 3HB ALA 58 HB3 ALA 58 -12.512 0.767 0.552 464 H HIS 59 HN HIS 59 -14.602 -1.544 -2.200 465 HA HIS 59 HA HIS 59 -16.864 0.297 -1.900 466 1HB HIS 59 HB2 HIS 59 -16.640 -2.413 -3.232 467 2HB HIS 59 HB1 HIS 59 -18.162 -1.544 -3.048 468 HD1 HIS 59 HD1 HIS 59 -18.776 -0.305 -5.103 469 HD2 HIS 59 HD2 HIS 59 -14.652 -0.563 -4.627 470 HE1 HIS 59 HE1 HIS 59 -17.787 0.905 -7.075 471 HE2 HIS 59 HE2 HIS 59 -15.293 0.820 -6.719 472 H GLY 60 HN GLY 60 -16.730 0.273 0.404 473 1HA GLY 60 HA2 GLY 60 -18.485 -1.326 1.762 474 2HA GLY 60 HA1 GLY 60 -16.961 -2.198 1.853 475 H GLY 61 HN GLY 61 -15.288 0.141 1.945 476 1HA GLY 61 HA2 GLY 61 -14.994 2.118 3.240 477 2HA GLY 61 HA1 GLY 61 -16.207 1.534 4.359 478 H GLN 62 HN GLN 62 -14.690 -1.145 4.040 479 HA GLN 62 HA GLN 62 -13.100 -0.855 6.379 480 1HB GLN 62 HB2 GLN 62 -14.249 -2.906 5.980 481 2HB GLN 62 HB1 GLN 62 -13.526 -3.059 4.386 482 1HG GLN 62 HG2 GLN 62 -11.412 -3.609 5.296 483 2HG GLN 62 HG1 GLN 62 -11.909 -3.119 6.918 484 1HE2 GLN 62 HE21 GLN 62 -14.503 -4.393 6.746 485 2HE2 GLN 62 HE22 GLN 62 -14.229 -6.099 6.868 486 H VAL 63 HN VAL 63 -11.014 -0.318 6.539 487 HA VAL 63 HA VAL 63 -9.329 -0.423 4.125 488 HB VAL 63 HB VAL 63 -9.347 1.876 6.090 489 1HG1 VAL 63 HG11 VAL 63 -7.881 1.479 3.487 490 2HG1 VAL 63 HG12 VAL 63 -7.170 1.474 5.101 491 3HG1 VAL 63 HG13 VAL 63 -7.872 2.956 4.450 492 1HG2 VAL 63 HG21 VAL 63 -10.427 1.776 3.275 493 2HG2 VAL 63 HG22 VAL 63 -10.315 3.216 4.287 494 3HG2 VAL 63 HG23 VAL 63 -11.385 1.893 4.751 495 H ASN 64 HN ASN 64 -7.897 -1.978 4.674 496 HA ASN 64 HA ASN 64 -6.521 -1.707 7.267 497 1HB ASN 64 HB2 ASN 64 -7.746 -3.829 6.928 498 2HB ASN 64 HB1 ASN 64 -6.773 -4.143 5.501 499 1HD2 ASN 64 HD21 ASN 64 -5.479 -2.688 8.418 500 2HD2 ASN 64 HD22 ASN 64 -4.493 -4.036 8.866 501 H LEU 65 HN LEU 65 -4.668 -0.639 6.974 502 HA LEU 65 HA LEU 65 -3.166 -1.069 4.480 503 1HB LEU 65 HB2 LEU 65 -3.618 1.204 4.582 504 2HB LEU 65 HB1 LEU 65 -3.430 1.272 6.325 505 HG LEU 65 HG LEU 65 -0.904 0.585 5.392 506 1HD1 LEU 65 HD11 LEU 65 -0.440 2.312 3.707 507 2HD1 LEU 65 HD12 LEU 65 -2.166 2.667 3.621 508 3HD1 LEU 65 HD13 LEU 65 -1.565 1.086 3.123 509 1HD2 LEU 65 HD21 LEU 65 -1.439 2.091 7.243 510 2HD2 LEU 65 HD22 LEU 65 -2.015 3.302 6.094 511 3HD2 LEU 65 HD23 LEU 65 -0.312 2.838 6.112 512 H ASP 66 HN ASP 66 -1.224 -1.952 4.515 513 HA ASP 66 HA ASP 66 0.130 -2.354 7.107 514 1HB ASP 66 HB2 ASP 66 -0.074 -4.168 4.703 515 2HB ASP 66 HB1 ASP 66 1.201 -4.361 5.900 516 H MET 67 HN MET 67 2.380 -1.990 7.146 517 HA MET 67 HA MET 67 3.367 -0.525 4.795 518 1HB MET 67 HB2 MET 67 4.047 -0.230 7.714 519 2HB MET 67 HB1 MET 67 5.013 0.496 6.438 520 1HG MET 67 HG2 MET 67 2.988 1.714 5.674 521 2HG MET 67 HG1 MET 67 2.129 1.067 7.072 522 1HE MET 67 HE1 MET 67 2.662 4.839 8.029 523 2HE MET 67 HE2 MET 67 1.483 3.540 7.854 524 3HE MET 67 HE3 MET 67 2.312 4.175 6.433 525 H GLU 68 HN GLU 68 5.116 -1.158 3.761 526 HA GLU 68 HA GLU 68 6.845 -3.229 4.963 527 1HB GLU 68 HB2 GLU 68 6.136 -2.709 2.079 528 2HB GLU 68 HB1 GLU 68 7.450 -3.763 2.571 529 1HG GLU 68 HG2 GLU 68 5.857 -5.217 3.702 530 2HG GLU 68 HG1 GLU 68 4.540 -4.147 3.213 531 H ASP 69 HN ASP 69 9.104 -3.087 4.478 532 HA ASP 69 HA ASP 69 9.982 -0.379 3.673 533 1HB ASP 69 HB2 ASP 69 10.463 -0.941 6.043 534 2HB ASP 69 HB1 ASP 69 11.374 -2.348 5.512 535 H HIS 70 HN HIS 70 10.868 -0.384 1.707 536 HA HIS 70 HA HIS 70 12.552 -2.677 0.922 537 1HB HIS 70 HB2 HIS 70 10.564 -1.203 -0.818 538 2HB HIS 70 HB1 HIS 70 11.786 -2.301 -1.445 539 HD1 HIS 70 HD1 HIS 70 11.305 -4.803 -1.309 540 HD2 HIS 70 HD2 HIS 70 8.444 -2.462 0.612 541 HE1 HIS 70 HE1 HIS 70 9.386 -6.346 -0.805 542 HE2 HIS 70 HE2 HIS 70 7.782 -4.973 0.571 543 H ARG 71 HN ARG 71 11.637 0.599 0.032 544 HA ARG 71 HA ARG 71 12.746 2.419 -0.621 545 1HB ARG 71 HB2 ARG 71 14.558 1.345 1.513 546 2HB ARG 71 HB1 ARG 71 14.809 2.923 0.763 547 1HG ARG 71 HG2 ARG 71 12.545 3.588 1.420 548 2HG ARG 71 HG1 ARG 71 12.311 2.017 2.178 549 1HD ARG 71 HD2 ARG 71 12.833 3.779 3.796 550 2HD ARG 71 HD1 ARG 71 14.047 2.491 3.784 551 HE ARG 71 HE ARG 71 15.068 4.362 2.086 552 1HH1 ARG 71 HH11 ARG 71 13.928 4.406 5.398 553 2HH1 ARG 71 HH12 ARG 71 14.982 5.708 5.872 554 1HH2 ARG 71 HH21 ARG 71 16.466 6.064 2.726 555 2HH2 ARG 71 HH22 ARG 71 16.413 6.646 4.363 556 H ASP 72 HN ASP 72 15.770 0.609 -0.174 557 HA ASP 72 HA ASP 72 16.755 1.722 -2.616 558 1HB ASP 72 HB2 ASP 72 17.903 -0.300 -0.699 559 2HB ASP 72 HB1 ASP 72 18.752 0.244 -2.143 560 H GLU 73 HN GLU 73 14.711 -0.777 -2.091 561 HA GLU 73 HA GLU 73 15.556 -2.559 -4.169 562 1HB GLU 73 HB2 GLU 73 13.235 -2.275 -2.348 563 2HB GLU 73 HB1 GLU 73 12.965 -3.170 -3.830 564 1HG GLU 73 HG2 GLU 73 14.705 -4.734 -3.252 565 2HG GLU 73 HG1 GLU 73 15.148 -3.768 -1.843 566 H ASP 74 HN ASP 74 13.956 0.424 -4.054 567 HA ASP 74 HA ASP 74 12.795 1.732 -5.485 568 1HB ASP 74 HB2 ASP 74 14.679 0.862 -7.088 569 2HB ASP 74 HB1 ASP 74 13.372 -0.096 -7.782 570 H PHE 75 HN PHE 75 11.071 1.332 -7.535 571 HA PHE 75 HA PHE 75 8.962 0.294 -5.846 572 1HB PHE 75 HB2 PHE 75 8.507 2.410 -6.798 573 2HB PHE 75 HB1 PHE 75 8.932 1.859 -8.416 574 HD1 PHE 75 HD1 PHE 75 7.242 1.267 -9.869 575 HD2 PHE 75 HD2 PHE 75 6.476 1.169 -5.687 576 HE1 PHE 75 HE1 PHE 75 4.880 0.764 -10.313 577 HE2 PHE 75 HE2 PHE 75 4.107 0.679 -6.122 578 HZ PHE 75 HZ PHE 75 3.310 0.468 -8.443 579 H VAL 76 HN VAL 76 7.650 -1.340 -6.166 580 HA VAL 76 HA VAL 76 7.190 -2.647 -8.615 581 HB VAL 76 HB VAL 76 9.411 -3.557 -8.310 582 1HG1 VAL 76 HG11 VAL 76 9.641 -3.280 -5.897 583 2HG1 VAL 76 HG12 VAL 76 10.039 -4.927 -6.393 584 3HG1 VAL 76 HG13 VAL 76 8.484 -4.586 -5.634 585 1HG2 VAL 76 HG21 VAL 76 8.902 -5.954 -8.329 586 2HG2 VAL 76 HG22 VAL 76 7.748 -5.027 -9.287 587 3HG2 VAL 76 HG23 VAL 76 7.296 -5.610 -7.686 588 H LYS 77 HN LYS 77 5.039 -2.915 -8.284 589 HA LYS 77 HA LYS 77 4.241 -4.814 -6.371 590 1HB LYS 77 HB2 LYS 77 4.384 -2.900 -4.893 591 2HB LYS 77 HB1 LYS 77 3.225 -2.045 -5.898 592 1HG LYS 77 HG2 LYS 77 1.723 -4.137 -5.388 593 2HG LYS 77 HG1 LYS 77 2.799 -4.285 -3.993 594 1HD LYS 77 HD2 LYS 77 1.046 -1.965 -4.749 595 2HD LYS 77 HD1 LYS 77 0.980 -2.950 -3.285 596 1HE LYS 77 HE2 LYS 77 3.084 -2.069 -2.536 597 2HE LYS 77 HE1 LYS 77 3.309 -1.206 -4.057 598 1HZ LYS 77 HZ1 LYS 77 1.227 0.019 -3.498 599 2HZ LYS 77 HZ2 LYS 77 2.548 0.345 -2.491 600 3HZ LYS 77 HZ3 LYS 77 1.306 -0.670 -1.949 601 HA PRO 78 HA PRO 78 0.136 -4.137 -8.642 602 1HB PRO 78 HB2 PRO 78 -0.362 -1.811 -9.937 603 2HB PRO 78 HB1 PRO 78 -0.799 -2.104 -8.247 604 1HG PRO 78 HG2 PRO 78 1.587 -0.711 -9.361 605 2HG PRO 78 HG1 PRO 78 0.525 -0.225 -8.021 606 1HD PRO 78 HD2 PRO 78 2.916 -1.397 -7.552 607 2HD PRO 78 HD1 PRO 78 1.485 -1.738 -6.559 608 H LYS 79 HN LYS 79 3.042 -2.925 -9.924 609 HA LYS 79 HA LYS 79 2.571 -3.298 -12.688 610 1HB LYS 79 HB2 LYS 79 5.240 -3.668 -11.338 611 2HB LYS 79 HB1 LYS 79 4.910 -3.045 -12.950 612 1HG LYS 79 HG2 LYS 79 4.250 -1.635 -10.368 613 2HG LYS 79 HG1 LYS 79 5.648 -1.300 -11.387 614 1HD LYS 79 HD2 LYS 79 2.835 -1.125 -12.439 615 2HD LYS 79 HD1 LYS 79 3.616 0.232 -11.627 616 1HE LYS 79 HE2 LYS 79 5.476 0.044 -13.288 617 2HE LYS 79 HE1 LYS 79 4.513 -1.157 -14.147 618 1HZ LYS 79 HZ1 LYS 79 4.309 1.123 -15.048 619 2HZ LYS 79 HZ2 LYS 79 3.599 1.616 -13.583 620 3HZ LYS 79 HZ3 LYS 79 2.823 0.461 -14.560 621 H GLY 80 HN GLY 80 3.896 -5.329 -10.119 622 1HA GLY 80 HA2 GLY 80 3.953 -7.645 -11.909 623 2HA GLY 80 HA1 GLY 80 4.676 -7.554 -10.307 624 H ALA 81 HN ALA 81 1.523 -7.387 -11.903 625 HA ALA 81 HA ALA 81 -0.444 -8.424 -11.536 626 1HB ALA 81 HB1 ALA 81 -0.577 -10.449 -10.241 627 2HB ALA 81 HB2 ALA 81 0.982 -10.112 -9.491 628 3HB ALA 81 HB3 ALA 81 0.893 -10.465 -11.215 629 H PHE 82 HN PHE 82 0.806 -8.619 -8.197 630 HA PHE 82 HA PHE 82 -1.263 -6.696 -7.414 631 1HB PHE 82 HB2 PHE 82 -1.006 -9.510 -6.383 632 2HB PHE 82 HB1 PHE 82 -1.818 -8.253 -5.457 633 HD1 PHE 82 HD1 PHE 82 -3.864 -7.193 -6.360 634 HD2 PHE 82 HD2 PHE 82 -2.048 -10.555 -8.235 635 HE1 PHE 82 HE1 PHE 82 -5.944 -7.619 -7.604 636 HE2 PHE 82 HE2 PHE 82 -4.122 -10.985 -9.483 637 HZ PHE 82 HZ PHE 82 -6.073 -9.518 -9.168 638 H LYS 83 HN LYS 83 0.654 -8.844 -5.344 639 HA LYS 83 HA LYS 83 1.530 -6.454 -3.911 640 1HB LYS 83 HB2 LYS 83 2.116 -7.966 -2.088 641 2HB LYS 83 HB1 LYS 83 0.462 -8.247 -2.615 642 1HG LYS 83 HG2 LYS 83 1.149 -10.212 -3.844 643 2HG LYS 83 HG1 LYS 83 2.837 -9.907 -3.432 644 1HD LYS 83 HD2 LYS 83 2.296 -10.197 -1.053 645 2HD LYS 83 HD1 LYS 83 0.616 -10.527 -1.485 646 1HE LYS 83 HE2 LYS 83 1.791 -12.608 -1.102 647 2HE LYS 83 HE1 LYS 83 1.355 -12.465 -2.804 648 1HZ LYS 83 HZ1 LYS 83 4.010 -12.280 -1.547 649 2HZ LYS 83 HZ2 LYS 83 3.727 -11.497 -3.021 650 3HZ LYS 83 HZ3 LYS 83 3.526 -13.175 -2.905 651 H ALA 84 HN ALA 84 2.710 -8.494 -6.242 652 HA ALA 84 HA ALA 84 4.733 -8.943 -7.147 653 1HB ALA 84 HB1 ALA 84 4.954 -6.497 -7.104 654 2HB ALA 84 HB2 ALA 84 6.506 -7.310 -6.897 655 3HB ALA 84 HB3 ALA 84 5.688 -6.603 -5.503 656 H PHE 85 HN PHE 85 7.303 -8.911 -6.238 657 HA PHE 85 HA PHE 85 7.610 -9.990 -3.625 658 1HB PHE 85 HB2 PHE 85 8.253 -12.285 -4.299 659 2HB PHE 85 HB1 PHE 85 6.560 -11.953 -4.637 660 HD1 PHE 85 HD1 PHE 85 5.809 -11.602 -6.965 661 HD2 PHE 85 HD2 PHE 85 9.792 -12.789 -6.047 662 HE1 PHE 85 HE1 PHE 85 6.133 -12.315 -9.297 663 HE2 PHE 85 HE2 PHE 85 10.122 -13.498 -8.380 664 HZ PHE 85 HZ PHE 85 8.291 -13.262 -10.007 665 H THR 86 HN THR 86 9.727 -9.916 -3.014 666 HA THR 86 HA THR 86 11.633 -8.750 -4.804 667 HB THR 86 HB THR 86 12.122 -9.889 -2.043 668 HG1 THR 86 HG1 THR 86 11.849 -7.144 -2.322 669 1HG2 THR 86 HG21 THR 86 13.604 -7.791 -3.634 670 2HG2 THR 86 HG22 THR 86 14.162 -9.432 -3.312 671 3HG2 THR 86 HG23 THR 86 13.978 -8.287 -1.984 672 H GLY 87 HN GLY 87 10.835 -11.965 -3.753 673 1HA GLY 87 HA2 GLY 87 11.451 -13.960 -4.757 674 2HA GLY 87 HA1 GLY 87 12.579 -13.071 -5.769 675 H GLU 88 HN GLU 88 14.508 -12.172 -4.535 676 HA GLU 88 HA GLU 88 15.990 -14.341 -3.532 677 1HB GLU 88 HB2 GLU 88 16.788 -12.129 -4.620 678 2HB GLU 88 HB1 GLU 88 16.703 -11.469 -2.994 679 1HG GLU 88 HG2 GLU 88 18.934 -12.110 -3.308 680 2HG GLU 88 HG1 GLU 88 18.221 -13.358 -2.284 681 H GLY 89 HN GLY 89 14.286 -11.722 -1.949 682 1HA GLY 89 HA2 GLY 89 13.298 -12.191 0.242 683 2HA GLY 89 HA1 GLY 89 14.793 -13.025 0.649 684 H GLN 90 HN GLN 90 13.354 -10.668 1.841 685 HA GLN 90 HA GLN 90 15.486 -8.659 1.587 686 1HB GLN 90 HB2 GLN 90 13.906 -7.098 2.641 687 2HB GLN 90 HB1 GLN 90 13.235 -7.807 1.179 688 1HG GLN 90 HG2 GLN 90 11.978 -9.408 2.586 689 2HG GLN 90 HG1 GLN 90 12.585 -8.573 4.015 690 1HE2 GLN 90 HE21 GLN 90 11.782 -6.897 1.085 691 2HE2 GLN 90 HE22 GLN 90 10.366 -6.114 1.686 692 H LYS 91 HN LYS 91 14.220 -11.074 3.589 693 HA LYS 91 HA LYS 91 15.376 -10.036 6.031 694 1HB LYS 91 HB2 LYS 91 13.309 -11.441 6.018 695 2HB LYS 91 HB1 LYS 91 14.272 -12.793 5.442 696 1HG LYS 91 HG2 LYS 91 13.859 -12.936 7.837 697 2HG LYS 91 HG1 LYS 91 15.580 -12.764 7.488 698 1HD LYS 91 HD2 LYS 91 15.511 -10.426 8.066 699 2HD LYS 91 HD1 LYS 91 13.759 -10.487 8.258 700 1HE LYS 91 HE2 LYS 91 14.885 -10.520 10.421 701 2HE LYS 91 HE1 LYS 91 14.008 -12.022 10.137 702 1HZ LYS 91 HZ1 LYS 91 16.057 -13.117 9.582 703 2HZ LYS 91 HZ2 LYS 91 16.228 -12.362 11.090 704 3HZ LYS 91 HZ3 LYS 91 16.929 -11.666 9.711 705 H LEU 92 HN LEU 92 15.951 -12.755 3.814 706 HA LEU 92 HA LEU 92 17.762 -14.091 3.448 707 1HB LEU 92 HB2 LEU 92 18.368 -11.760 2.532 708 2HB LEU 92 HB1 LEU 92 19.413 -11.626 3.932 709 HG LEU 92 HG LEU 92 20.671 -13.601 3.196 710 1HD1 LEU 92 HD11 LEU 92 18.851 -13.525 0.794 711 2HD1 LEU 92 HD12 LEU 92 18.876 -14.773 2.041 712 3HD1 LEU 92 HD13 LEU 92 20.271 -14.555 0.985 713 1HD2 LEU 92 HD21 LEU 92 21.387 -11.371 2.486 714 2HD2 LEU 92 HD22 LEU 92 20.378 -11.508 1.045 715 3HD2 LEU 92 HD23 LEU 92 21.754 -12.588 1.264 716 H GLY 93 HN GLY 93 16.964 -14.618 5.810 717 1HA GLY 93 HA2 GLY 93 19.019 -15.632 7.334 718 2HA GLY 93 HA1 GLY 93 18.683 -14.033 8.000 719 H SER 94 HN SER 94 17.552 -17.262 7.613 720 HA SER 94 HA SER 94 15.700 -18.396 8.236 721 1HB SER 94 HB2 SER 94 14.998 -15.906 9.824 722 2HB SER 94 HB1 SER 94 14.117 -17.434 9.900 723 HG SER 94 HG SER 94 16.265 -16.728 11.279 724 H THR 95 HN THR 95 13.973 -18.807 7.003 725 HA THR 95 HA THR 95 13.792 -17.475 4.607 726 HB THR 95 HB THR 95 11.566 -19.171 5.734 727 HG1 THR 95 HG1 THR 95 12.958 -20.766 5.748 728 1HG2 THR 95 HG21 THR 95 12.598 -18.771 2.923 729 2HG2 THR 95 HG22 THR 95 11.107 -18.090 3.575 730 3HG2 THR 95 HG23 THR 95 11.277 -19.837 3.395 731 H ALA 96 HN ALA 96 11.658 -17.109 7.403 732 HA ALA 96 HA ALA 96 10.077 -15.581 7.956 733 1HB ALA 96 HB1 ALA 96 11.609 -13.862 7.078 734 2HB ALA 96 HB2 ALA 96 9.917 -13.454 6.804 735 3HB ALA 96 HB3 ALA 96 10.900 -14.064 5.473 736 HA PRO 97 HA PRO 97 6.784 -17.527 5.750 737 1HB PRO 97 HB2 PRO 97 5.008 -15.849 7.382 738 2HB PRO 97 HB1 PRO 97 5.166 -17.607 7.345 739 1HG PRO 97 HG2 PRO 97 6.024 -16.137 9.432 740 2HG PRO 97 HG1 PRO 97 6.846 -17.622 8.920 741 1HD PRO 97 HD2 PRO 97 7.597 -14.768 8.417 742 2HD PRO 97 HD1 PRO 97 8.635 -16.154 8.815 743 H GLN 98 HN GLN 98 4.998 -16.954 4.361 744 HA GLN 98 HA GLN 98 5.567 -14.593 2.866 745 1HB GLN 98 HB2 GLN 98 4.788 -16.738 1.850 746 2HB GLN 98 HB1 GLN 98 3.208 -16.462 2.569 747 1HG GLN 98 HG2 GLN 98 3.183 -15.821 0.249 748 2HG GLN 98 HG1 GLN 98 2.988 -14.394 1.265 749 1HE2 GLN 98 HE21 GLN 98 6.050 -16.009 0.780 750 2HE2 GLN 98 HE22 GLN 98 6.783 -14.751 -0.149 751 H VAL 99 HN VAL 99 2.214 -15.333 3.373 752 HA VAL 99 HA VAL 99 0.458 -13.939 3.765 753 HB VAL 99 HB VAL 99 1.998 -13.222 6.262 754 1HG1 VAL 99 HG11 VAL 99 -0.018 -11.908 5.943 755 2HG1 VAL 99 HG12 VAL 99 -0.247 -13.057 7.262 756 3HG1 VAL 99 HG13 VAL 99 -0.958 -13.377 5.680 757 1HG2 VAL 99 HG21 VAL 99 2.022 -15.639 5.947 758 2HG2 VAL 99 HG22 VAL 99 0.272 -15.636 5.728 759 3HG2 VAL 99 HG23 VAL 99 0.966 -15.191 7.287 760 H LEU 100 HN LEU 100 2.366 -11.730 5.629 761 HA LEU 100 HA LEU 100 3.325 -9.948 3.746 762 1HB LEU 100 HB2 LEU 100 0.812 -9.778 3.265 763 2HB LEU 100 HB1 LEU 100 0.699 -8.944 4.805 764 HG LEU 100 HG LEU 100 2.474 -7.356 3.893 765 1HD1 LEU 100 HD11 LEU 100 3.226 -8.709 2.034 766 2HD1 LEU 100 HD12 LEU 100 2.587 -7.170 1.455 767 3HD1 LEU 100 HD13 LEU 100 1.620 -8.638 1.308 768 1HD2 LEU 100 HD21 LEU 100 -0.247 -7.409 2.589 769 2HD2 LEU 100 HD22 LEU 100 0.812 -6.004 2.711 770 3HD2 LEU 100 HD23 LEU 100 0.131 -6.724 4.169 771 H SER 101 HN SER 101 1.341 -9.730 6.686 772 HA SER 101 HA SER 101 3.076 -7.678 7.763 773 1HB SER 101 HB2 SER 101 0.682 -8.895 9.125 774 2HB SER 101 HB1 SER 101 1.338 -7.266 9.301 775 HG SER 101 HG SER 101 0.158 -6.651 7.681 776 H THR 102 HN THR 102 4.373 -10.182 7.589 777 HA THR 102 HA THR 102 5.681 -11.588 8.793 778 HB THR 102 HB THR 102 4.882 -9.893 11.170 779 HG1 THR 102 HG1 THR 102 5.972 -8.626 9.670 780 1HG2 THR 102 HG21 THR 102 5.780 -12.060 11.853 781 2HG2 THR 102 HG22 THR 102 6.931 -10.770 12.205 782 3HG2 THR 102 HG23 THR 102 7.181 -11.819 10.810
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