NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596345 | 2n3b | 25640 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 75.825 10.005 -8.062 2 H2 GLY 1 H2 GLY 1 76.207 10.231 -6.421 3 H3 GLY 1 H3 GLY 1 75.433 11.466 -7.294 4 HA2 GLY 1 HA2 GLY 1 74.312 9.195 -5.955 5 HA3 GLY 1 HA3 GLY 1 73.529 10.681 -6.491 6 H ASP 2 H ASP 2 75.348 8.295 -8.390 7 HA ASP 2 HA ASP 2 72.869 7.655 -9.877 8 HB2 ASP 2 HB2 ASP 2 75.610 8.269 -10.989 9 HB3 ASP 2 HB1 ASP 2 74.317 7.521 -11.927 10 H VAL 3 H VAL 3 72.658 5.730 -8.696 11 HA VAL 3 HA VAL 3 74.567 3.804 -8.181 12 HB VAL 3 HB VAL 3 72.342 3.587 -7.285 13 HG11 VAL 3 HG11 VAL 3 71.004 4.617 -8.979 14 HG12 VAL 3 HG12 VAL 3 70.463 2.941 -8.888 15 HG13 VAL 3 HG13 VAL 3 71.527 3.455 -10.197 16 HG21 VAL 3 HG21 VAL 3 73.680 1.495 -7.890 17 HG22 VAL 3 HG22 VAL 3 72.637 1.350 -9.303 18 HG23 VAL 3 HG23 VAL 3 71.946 1.262 -7.683 19 H GLU 4 H GLU 4 73.356 4.845 -11.207 20 HA GLU 4 HA GLU 4 73.831 2.416 -12.666 21 HB2 GLU 4 HB2 GLU 4 73.567 5.271 -13.638 22 HB3 GLU 4 HB3 GLU 4 73.548 3.835 -14.663 23 HG2 GLU 4 HG2 GLU 4 71.535 3.022 -13.606 24 HG3 GLU 4 HG3 GLU 4 71.602 4.295 -12.388 25 H LYS 5 H LYS 5 75.535 5.561 -12.657 26 HA LYS 5 HA LYS 5 77.820 4.454 -14.006 27 HB2 LYS 5 HB2 LYS 5 77.271 7.102 -12.658 28 HB3 LYS 5 HB3 LYS 5 78.850 6.706 -13.336 29 HG2 LYS 5 HG2 LYS 5 77.963 6.475 -15.538 30 HG3 LYS 5 HG3 LYS 5 76.301 6.460 -14.946 31 HD2 LYS 5 HD2 LYS 5 78.014 8.856 -14.363 32 HD3 LYS 5 HD3 LYS 5 77.342 8.671 -15.983 33 HE2 LYS 5 HE2 LYS 5 75.078 8.491 -15.047 34 HE3 LYS 5 HE3 LYS 5 75.730 8.623 -13.414 35 HZ1 LYS 5 HZ1 LYS 5 74.860 10.735 -14.375 36 HZ2 LYS 5 HZ2 LYS 5 76.131 10.689 -15.502 37 HZ3 LYS 5 HZ3 LYS 5 76.468 10.815 -13.842 38 H GLY 6 H GLY 6 76.731 4.577 -10.779 39 HA2 GLY 6 HA2 GLY 6 79.287 4.485 -9.475 40 HA3 GLY 6 HA3 GLY 6 77.733 4.050 -8.759 41 H LYS 7 H LYS 7 76.953 2.168 -10.714 42 HA LYS 7 HA LYS 7 78.224 -0.180 -9.734 43 HB2 LYS 7 HB2 LYS 7 75.873 -0.152 -10.476 44 HB3 LYS 7 HB3 LYS 7 76.399 0.188 -12.124 45 HG2 LYS 7 HG2 LYS 7 77.664 -1.936 -12.157 46 HG3 LYS 7 HG3 LYS 7 77.123 -2.280 -10.516 47 HD2 LYS 7 HD2 LYS 7 75.017 -2.872 -11.192 48 HD3 LYS 7 HD3 LYS 7 74.961 -1.632 -12.444 49 HE2 LYS 7 HE2 LYS 7 76.302 -2.970 -13.934 50 HE3 LYS 7 HE3 LYS 7 76.640 -4.144 -12.662 51 HZ1 LYS 7 HZ1 LYS 7 73.942 -4.054 -12.696 52 HZ2 LYS 7 HZ2 LYS 7 74.888 -5.224 -13.487 53 HZ3 LYS 7 HZ3 LYS 7 74.317 -3.870 -14.340 54 H LYS 8 H LYS 8 78.377 1.630 -12.789 55 HA LYS 8 HA LYS 8 80.016 -0.095 -14.248 56 HB2 LYS 8 HB2 LYS 8 78.946 1.834 -15.267 57 HB3 LYS 8 HB3 LYS 8 79.897 2.928 -14.266 58 HG2 LYS 8 HG2 LYS 8 81.517 0.986 -15.791 59 HG3 LYS 8 HG3 LYS 8 80.607 2.105 -16.802 60 HD2 LYS 8 HD2 LYS 8 82.250 3.075 -14.457 61 HD3 LYS 8 HD3 LYS 8 82.963 2.849 -16.052 62 HE2 LYS 8 HE2 LYS 8 80.962 4.307 -16.891 63 HE3 LYS 8 HE3 LYS 8 80.828 4.796 -15.202 64 HZ1 LYS 8 HZ1 LYS 8 82.965 5.692 -15.216 65 HZ2 LYS 8 HZ2 LYS 8 82.302 6.185 -16.701 66 HZ3 LYS 8 HZ3 LYS 8 83.404 4.893 -16.647 67 H ILE 9 H ILE 9 80.935 2.592 -12.105 68 HA ILE 9 HA ILE 9 83.732 2.253 -12.398 69 HB ILE 9 HB ILE 9 82.150 3.483 -10.129 70 HG12 ILE 9 HG12 ILE 9 83.581 4.884 -12.396 71 HG13 ILE 9 HG13 ILE 9 81.888 4.402 -12.522 72 HG21 ILE 9 HG21 ILE 9 85.077 3.668 -10.900 73 HG22 ILE 9 HG22 ILE 9 84.425 2.961 -9.421 74 HG23 ILE 9 HG23 ILE 9 84.297 4.697 -9.701 75 HD11 ILE 9 HD11 ILE 9 82.988 6.111 -10.275 76 HD12 ILE 9 HD12 ILE 9 81.294 5.752 -10.604 77 HD13 ILE 9 HD13 ILE 9 82.213 6.766 -11.716 78 H PHE 10 H PHE 10 81.344 0.624 -10.470 79 HA PHE 10 HA PHE 10 83.218 -0.433 -8.552 80 HB2 PHE 10 HB2 PHE 10 81.084 -0.321 -7.653 81 HB3 PHE 10 HB1 PHE 10 80.315 -0.838 -9.152 82 HD1 PHE 10 HD1 PHE 10 80.282 -3.206 -9.810 83 HD2 PHE 10 HD2 PHE 10 82.009 -1.939 -6.092 84 HE1 PHE 10 HE1 PHE 10 80.297 -5.556 -9.022 85 HE2 PHE 10 HE2 PHE 10 82.027 -4.290 -5.298 86 HZ PHE 10 HZ PHE 10 81.172 -6.100 -6.769 87 H VAL 11 H VAL 11 81.371 -1.885 -11.244 88 HA VAL 11 HA VAL 11 82.359 -4.467 -11.071 89 HB VAL 11 HB VAL 11 81.819 -4.667 -13.483 90 HG11 VAL 11 HG11 VAL 11 79.739 -3.009 -12.049 91 HG12 VAL 11 HG12 VAL 11 80.092 -4.678 -11.603 92 HG13 VAL 11 HG13 VAL 11 79.476 -4.307 -13.212 93 HG21 VAL 11 HG21 VAL 11 82.630 -2.376 -14.098 94 HG22 VAL 11 HG22 VAL 11 81.229 -1.706 -13.267 95 HG23 VAL 11 HG23 VAL 11 81.006 -2.714 -14.693 96 H GLN 12 H GLN 12 83.854 -1.600 -12.396 97 HA GLN 12 HA GLN 12 86.059 -3.219 -13.471 98 HB2 GLN 12 HB2 GLN 12 86.830 -1.149 -14.521 99 HB3 GLN 12 HB1 GLN 12 85.154 -1.502 -14.932 100 HG2 GLN 12 HG2 GLN 12 84.701 0.019 -12.768 101 HG3 GLN 12 HG1 GLN 12 86.271 0.675 -13.225 102 HE21 GLN 12 HE21 GLN 12 83.568 -0.504 -15.286 103 HE22 GLN 12 HE22 GLN 12 83.412 0.947 -16.145 104 H LYS 13 H LYS 13 85.364 -1.166 -10.740 105 HA LYS 13 HA LYS 13 88.240 -0.927 -10.149 106 HB2 LYS 13 HB2 LYS 13 85.861 0.408 -8.858 107 HB3 LYS 13 HB3 LYS 13 87.531 0.636 -8.358 108 HG2 LYS 13 HG2 LYS 13 86.512 1.192 -11.154 109 HG3 LYS 13 HG3 LYS 13 86.713 2.420 -9.910 110 HD2 LYS 13 HD2 LYS 13 89.160 1.481 -9.754 111 HD3 LYS 13 HD3 LYS 13 88.818 0.837 -11.361 112 HE2 LYS 13 HE2 LYS 13 89.738 2.951 -11.814 113 HE3 LYS 13 HE3 LYS 13 88.002 3.233 -11.917 114 HZ1 LYS 13 HZ1 LYS 13 88.467 3.626 -9.309 115 HZ2 LYS 13 HZ2 LYS 13 88.436 4.866 -10.470 116 HZ3 LYS 13 HZ3 LYS 13 89.918 4.196 -9.978 117 H CYS 14 H CYS 14 85.375 -1.485 -8.075 118 HA CYS 14 HA CYS 14 87.045 -2.862 -6.169 119 HB2 CYS 14 HB2 CYS 14 84.089 -2.798 -5.885 120 HB3 CYS 14 HB1 CYS 14 85.340 -2.574 -4.666 121 H ALA 15 H ALA 15 84.543 -3.928 -8.453 122 HA ALA 15 HA ALA 15 83.991 -6.429 -7.455 123 HB1 ALA 15 HB1 ALA 15 83.990 -7.123 -9.982 124 HB2 ALA 15 HB2 ALA 15 84.282 -5.405 -10.255 125 HB3 ALA 15 HB3 ALA 15 82.829 -5.928 -9.404 126 H GLN 16 H GLN 16 86.965 -5.277 -8.832 127 HA GLN 16 HA GLN 16 88.271 -7.571 -9.608 128 HB2 GLN 16 HB2 GLN 16 89.382 -5.209 -8.089 129 HB3 GLN 16 HB1 GLN 16 90.366 -6.433 -8.886 130 HG2 GLN 16 HG2 GLN 16 89.106 -5.897 -11.023 131 HG3 GLN 16 HG1 GLN 16 88.413 -4.515 -10.175 132 HE21 GLN 16 HE21 GLN 16 91.243 -5.682 -11.825 133 HE22 GLN 16 HE22 GLN 16 92.205 -4.306 -11.571 134 H CYS 17 H CYS 17 88.586 -6.165 -6.320 135 HA CYS 17 HA CYS 17 88.980 -8.924 -5.309 136 HB2 CYS 17 HB2 CYS 17 90.142 -6.698 -3.744 137 HB3 CYS 17 HB1 CYS 17 90.804 -8.286 -4.104 138 H HIS 18 H HSD 18 86.391 -8.000 -5.395 139 HA HIS 18 HA HSD 18 85.753 -7.938 -2.556 140 HB2 HIS 18 HB2 HSD 18 85.180 -5.613 -4.373 141 HB3 HIS 18 HB1 HSD 18 84.102 -5.978 -3.031 142 HD1 HIS 18 HD1 HSD 18 85.067 -5.738 -0.612 143 HD2 HIS 18 HD2 HSD 18 87.709 -4.592 -3.620 144 HE1 HIS 18 HE1 HSD 18 86.932 -4.455 0.525 145 H THR 19 H THR 19 83.160 -7.591 -2.470 146 HA THR 19 HA THR 19 81.904 -9.174 -4.613 147 HB THR 19 HB THR 19 80.762 -10.105 -2.217 148 HG1 THR 19 HG1 THR 19 83.098 -10.973 -1.603 149 HG21 THR 19 HG21 THR 19 81.081 -11.428 -4.245 150 HG22 THR 19 HG22 THR 19 81.853 -12.239 -2.883 151 HG23 THR 19 HG23 THR 19 82.832 -11.348 -4.048 152 H VAL 20 H VAL 20 81.519 -7.206 -1.709 153 HA VAL 20 HA VAL 20 79.771 -5.926 -0.939 154 HB VAL 20 HB VAL 20 79.158 -4.168 -2.453 155 HG11 VAL 20 HG11 VAL 20 81.956 -5.121 -3.121 156 HG12 VAL 20 HG12 VAL 20 81.517 -4.287 -1.633 157 HG13 VAL 20 HG13 VAL 20 81.369 -3.460 -3.183 158 HG21 VAL 20 HG21 VAL 20 78.643 -5.787 -4.369 159 HG22 VAL 20 HG22 VAL 20 80.372 -5.783 -4.698 160 HG23 VAL 20 HG23 VAL 20 79.452 -4.289 -4.819 161 H GLU 21 H GLU 21 78.968 -8.646 -1.883 162 HA GLU 21 HA GLU 21 76.119 -8.012 -2.387 163 HB2 GLU 21 HB2 GLU 21 75.888 -9.910 -3.799 164 HB3 GLU 21 HB3 GLU 21 77.338 -9.074 -4.352 165 HG2 GLU 21 HG2 GLU 21 78.576 -10.667 -2.681 166 HG3 GLU 21 HG3 GLU 21 77.109 -11.638 -2.800 167 H LYS 22 H LYS 22 75.006 -8.420 -0.619 168 HA LYS 22 HA LYS 22 75.725 -9.638 1.682 169 HB2 LYS 22 HB2 LYS 22 73.557 -8.479 1.290 170 HB3 LYS 22 HB3 LYS 22 72.980 -9.906 0.434 171 HG2 LYS 22 HG2 LYS 22 72.195 -9.977 2.744 172 HG3 LYS 22 HG3 LYS 22 73.372 -11.263 2.489 173 HD2 LYS 22 HD2 LYS 22 74.998 -10.226 3.781 174 HD3 LYS 22 HD3 LYS 22 74.370 -8.609 3.463 175 HE2 LYS 22 HE2 LYS 22 72.456 -9.028 4.926 176 HE3 LYS 22 HE3 LYS 22 72.993 -10.687 5.189 177 HZ1 LYS 22 HZ1 LYS 22 74.801 -10.000 6.424 178 HZ2 LYS 22 HZ2 LYS 22 73.602 -8.898 6.909 179 HZ3 LYS 22 HZ3 LYS 22 74.788 -8.428 5.786 180 H GLY 23 H GLY 23 75.614 -11.689 2.607 181 HA2 GLY 23 HA2 GLY 23 76.039 -13.954 2.622 182 HA3 GLY 23 HA3 GLY 23 74.621 -14.036 1.582 183 H GLY 24 H GLY 24 77.496 -12.313 0.595 184 HA2 GLY 24 HA2 GLY 24 77.765 -14.045 -1.720 185 HA3 GLY 24 HA3 GLY 24 78.669 -12.568 -1.402 186 H LYS 25 H LYS 25 80.717 -13.281 -1.692 187 HA LYS 25 HA LYS 25 81.814 -15.020 0.373 188 HB2 LYS 25 HB2 LYS 25 83.069 -16.326 -1.447 189 HB3 LYS 25 HB3 LYS 25 81.372 -16.730 -1.197 190 HG2 LYS 25 HG2 LYS 25 81.853 -14.556 -3.156 191 HG3 LYS 25 HG3 LYS 25 82.459 -16.137 -3.642 192 HD2 LYS 25 HD2 LYS 25 80.230 -17.121 -3.199 193 HD3 LYS 25 HD3 LYS 25 79.626 -15.528 -2.749 194 HE2 LYS 25 HE2 LYS 25 80.124 -14.675 -4.994 195 HE3 LYS 25 HE3 LYS 25 80.790 -16.243 -5.455 196 HZ1 LYS 25 HZ1 LYS 25 78.681 -17.256 -5.222 197 HZ2 LYS 25 HZ2 LYS 25 78.438 -15.846 -6.139 198 HZ3 LYS 25 HZ3 LYS 25 78.009 -15.877 -4.496 199 H HIS 26 H HIS 26 83.215 -13.554 1.160 200 HA HIS 26 HA HIS 26 84.519 -11.529 -0.238 201 HB2 HIS 26 HB2 HIS 26 86.305 -12.015 1.740 202 HB3 HIS 26 HB1 HIS 26 84.785 -11.161 1.999 203 HD1 HIS 26 HD1 HIS 26 82.853 -12.467 3.154 204 HD2 HIS 26 HD2 HIS 26 86.385 -14.652 2.799 205 HE1 HIS 26 HE1 HIS 26 82.587 -14.504 4.638 206 HE2 HIS 26 HE2 HIS 26 84.733 -15.846 4.432 207 H LYS 27 H LYS 27 85.885 -11.669 -1.876 208 HA LYS 27 HA LYS 27 87.787 -13.944 -1.968 209 HB2 LYS 27 HB2 LYS 27 86.499 -12.414 -4.245 210 HB3 LYS 27 HB3 LYS 27 87.783 -13.606 -4.443 211 HG2 LYS 27 HG2 LYS 27 86.045 -15.060 -2.947 212 HG3 LYS 27 HG3 LYS 27 84.907 -14.008 -3.786 213 HD2 LYS 27 HD2 LYS 27 87.047 -15.660 -5.162 214 HD3 LYS 27 HD3 LYS 27 85.355 -16.133 -5.021 215 HE2 LYS 27 HE2 LYS 27 84.641 -14.209 -6.303 216 HE3 LYS 27 HE3 LYS 27 86.276 -13.547 -6.306 217 HZ1 LYS 27 HZ1 LYS 27 86.128 -16.239 -7.298 218 HZ2 LYS 27 HZ2 LYS 27 86.886 -14.873 -7.969 219 HZ3 LYS 27 HZ3 LYS 27 85.228 -15.140 -8.225 220 H THR 28 H THR 28 89.914 -13.493 -2.176 221 HA THR 28 HA THR 28 91.808 -12.192 -1.882 222 HB THR 28 HB THR 28 90.675 -10.591 -4.172 223 HG1 THR 28 HG1 THR 28 91.263 -12.263 -5.507 224 HG21 THR 28 HG21 THR 28 93.428 -11.435 -3.259 225 HG22 THR 28 HG22 THR 28 92.820 -9.803 -3.526 226 HG23 THR 28 HG23 THR 28 93.126 -10.864 -4.898 227 H GLY 29 H GLY 29 89.389 -11.313 -0.414 228 HA2 GLY 29 HA2 GLY 29 90.269 -9.133 0.947 229 HA3 GLY 29 HA3 GLY 29 89.413 -8.425 -0.420 230 HA PRO 30 HA PRO 30 86.482 -9.919 3.055 231 HB2 PRO 30 HB2 PRO 30 86.041 -7.556 4.365 232 HB3 PRO 30 HB1 PRO 30 87.320 -8.697 4.826 233 HG2 PRO 30 HG2 PRO 30 87.510 -6.185 3.230 234 HG3 PRO 30 HG1 PRO 30 88.605 -6.820 4.472 235 HD2 PRO 30 HD2 PRO 30 89.116 -7.046 1.791 236 HD3 PRO 30 HD1 PRO 30 89.689 -8.230 2.987 237 H ASN 31 H ASN 31 84.217 -8.958 3.470 238 HA ASN 31 HA ASN 31 83.191 -7.921 0.914 239 HB2 ASN 31 HB2 ASN 31 81.051 -8.740 1.618 240 HB3 ASN 31 HB1 ASN 31 82.229 -10.003 1.978 241 HD21 ASN 31 HD21 ASN 31 82.789 -10.376 4.246 242 HD22 ASN 31 HD22 ASN 31 81.828 -9.751 5.498 243 H LEU 32 H LEU 32 81.385 -6.307 1.065 244 HA LEU 32 HA LEU 32 81.902 -4.373 3.252 245 HB2 LEU 32 HB2 LEU 32 80.871 -3.661 0.504 246 HB3 LEU 32 HB3 LEU 32 81.479 -2.575 1.748 247 HG LEU 32 HG LEU 32 83.069 -4.560 0.101 248 HD11 LEU 32 HD11 LEU 32 84.374 -2.368 -0.320 249 HD12 LEU 32 HD12 LEU 32 82.969 -1.549 0.359 250 HD13 LEU 32 HD13 LEU 32 82.802 -2.529 -1.097 251 HD21 LEU 32 HD21 LEU 32 84.207 -4.785 2.109 252 HD22 LEU 32 HD22 LEU 32 83.700 -3.207 2.698 253 HD23 LEU 32 HD23 LEU 32 84.984 -3.329 1.501 254 H HIS 33 H HIS 33 79.991 -6.522 3.392 255 HA HIS 33 HA HIS 33 77.362 -5.642 2.777 256 HB2 HIS 33 HB2 HIS 33 78.276 -7.567 4.932 257 HB3 HIS 33 HB1 HIS 33 76.629 -7.404 4.324 258 HD1 HIS 33 HD1 HIS 33 78.336 -10.049 4.058 259 HD2 HIS 33 HD2 HIS 33 77.876 -7.184 1.065 260 HE1 HIS 33 HE1 HIS 33 78.785 -11.229 1.863 261 HE2 HIS 33 HE2 HIS 33 78.505 -9.498 0.028 262 H GLY 34 H GLY 34 75.848 -4.539 4.004 263 HA2 GLY 34 HA2 GLY 34 75.284 -2.752 5.398 264 HA3 GLY 34 HA3 GLY 34 75.675 -3.949 6.630 265 H LEU 35 H LEU 35 78.040 -2.702 4.408 266 HA LEU 35 HA LEU 35 80.028 -2.132 6.205 267 HB2 LEU 35 HB2 LEU 35 80.414 -2.169 3.815 268 HB3 LEU 35 HB3 LEU 35 79.370 -0.771 3.586 269 HG LEU 35 HG LEU 35 81.098 0.322 5.330 270 HD11 LEU 35 HD11 LEU 35 82.919 -1.491 3.771 271 HD12 LEU 35 HD12 LEU 35 82.303 -1.982 5.347 272 HD13 LEU 35 HD13 LEU 35 83.286 -0.526 5.196 273 HD21 LEU 35 HD21 LEU 35 81.827 -0.047 2.415 274 HD22 LEU 35 HD22 LEU 35 82.215 1.329 3.449 275 HD23 LEU 35 HD23 LEU 35 80.546 1.034 2.965 276 H PHE 36 H PHE 36 77.833 0.299 4.802 277 HA PHE 36 HA PHE 36 78.670 2.480 6.295 278 HB2 PHE 36 HB2 PHE 36 75.808 2.011 5.448 279 HB3 PHE 36 HB1 PHE 36 76.637 3.554 5.651 280 HD1 PHE 36 HD2 PHE 36 76.534 0.447 3.596 281 HD2 PHE 36 HD1 PHE 36 77.976 4.487 3.894 282 HE1 PHE 36 HE2 PHE 36 77.299 0.353 1.241 283 HE2 PHE 36 HE1 PHE 36 78.727 4.391 1.543 284 HZ PHE 36 HZ PHE 36 78.391 2.326 0.211 285 H GLY 37 H GLY 37 79.047 1.979 8.473 286 HA2 GLY 37 HA2 GLY 37 77.567 2.678 10.473 287 HA3 GLY 37 HA3 GLY 37 76.689 1.212 10.078 288 H ARG 38 H ARG 38 79.288 -0.162 9.343 289 HA ARG 38 HA ARG 38 79.882 -1.056 12.054 290 HB2 ARG 38 HB2 ARG 38 80.295 -2.095 9.313 291 HB3 ARG 38 HB3 ARG 38 81.515 -2.553 10.502 292 HG2 ARG 38 HG2 ARG 38 79.636 -3.292 12.021 293 HG3 ARG 38 HG3 ARG 38 78.524 -3.016 10.680 294 HD2 ARG 38 HD2 ARG 38 80.843 -4.623 9.889 295 HD3 ARG 38 HD3 ARG 38 79.915 -5.378 11.181 296 HE ARG 38 HE ARG 38 77.943 -4.750 9.518 297 HH11 ARG 38 HH21 ARG 38 81.097 -6.042 8.855 298 HH12 ARG 38 HH22 ARG 38 80.595 -6.887 7.430 299 HH21 ARG 38 HH11 ARG 38 77.290 -5.870 7.662 300 HH22 ARG 38 HH12 ARG 38 78.443 -6.796 6.760 301 H LYS 39 H LYS 39 81.971 -1.209 12.945 302 HA LYS 39 HA LYS 39 83.624 1.093 12.443 303 HB2 LYS 39 HB2 LYS 39 83.106 0.101 14.715 304 HB3 LYS 39 HB3 LYS 39 84.205 -1.212 14.302 305 HG2 LYS 39 HG2 LYS 39 85.984 0.056 14.873 306 HG3 LYS 39 HG3 LYS 39 85.507 1.291 13.715 307 HD2 LYS 39 HD2 LYS 39 85.627 2.235 15.981 308 HD3 LYS 39 HD3 LYS 39 83.968 2.266 15.382 309 HE2 LYS 39 HE2 LYS 39 84.550 -0.245 16.750 310 HE3 LYS 39 HE3 LYS 39 84.830 1.145 17.800 311 HZ1 LYS 39 HZ1 LYS 39 82.664 1.731 17.766 312 HZ2 LYS 39 HZ2 LYS 39 82.449 0.071 17.469 313 HZ3 LYS 39 HZ3 LYS 39 82.407 1.181 16.183 314 H THR 40 H THR 40 85.883 1.057 11.966 315 HA THR 40 HA THR 40 86.662 -0.369 9.748 316 HB THR 40 HB THR 40 89.036 0.212 10.510 317 HG1 THR 40 HG1 THR 40 87.852 1.868 12.393 318 HG21 THR 40 HG21 THR 40 88.671 2.598 10.098 319 HG22 THR 40 HG22 THR 40 86.953 2.414 10.451 320 HG23 THR 40 HG23 THR 40 87.649 1.639 9.028 321 H GLY 41 H GLY 41 87.839 -2.188 9.313 322 HA2 GLY 41 HA2 GLY 41 88.411 -4.401 9.594 323 HA3 GLY 41 HA3 GLY 41 89.325 -3.789 10.970 324 H GLN 42 H GLN 42 85.839 -4.176 10.320 325 HA GLN 42 HA GLN 42 85.635 -5.651 12.886 326 HB2 GLN 42 HB2 GLN 42 84.449 -3.515 12.936 327 HB3 GLN 42 HB1 GLN 42 83.549 -3.964 11.487 328 HG2 GLN 42 HG2 GLN 42 82.346 -5.653 12.603 329 HG3 GLN 42 HG1 GLN 42 83.510 -5.737 13.923 330 HE21 GLN 42 HE21 GLN 42 81.653 -3.009 12.442 331 HE22 GLN 42 HE22 GLN 42 81.037 -2.448 13.921 332 H ALA 43 H ALA 43 85.115 -5.809 9.480 333 HA ALA 43 HA ALA 43 83.064 -7.748 9.413 334 HB1 ALA 43 HB1 ALA 43 84.827 -6.455 7.542 335 HB2 ALA 43 HB2 ALA 43 83.272 -7.230 7.243 336 HB3 ALA 43 HB3 ALA 43 84.754 -8.182 7.191 337 HA PRO 44 HA PRO 44 85.653 -11.116 10.906 338 HB2 PRO 44 HB2 PRO 44 83.715 -12.988 11.151 339 HB3 PRO 44 HB1 PRO 44 83.842 -11.618 12.274 340 HG2 PRO 44 HG2 PRO 44 82.002 -12.000 9.960 341 HG3 PRO 44 HG1 PRO 44 81.674 -11.313 11.560 342 HD2 PRO 44 HD2 PRO 44 82.137 -9.796 9.292 343 HD3 PRO 44 HD1 PRO 44 82.410 -9.219 10.952 344 H GLY 45 H GLY 45 86.993 -11.914 9.345 345 HA2 GLY 45 HA2 GLY 45 86.516 -14.179 7.880 346 HA3 GLY 45 HA3 GLY 45 86.037 -12.869 6.806 347 H PHE 46 H PHE 46 87.645 -11.242 6.267 348 HA PHE 46 HA PHE 46 90.193 -12.411 5.690 349 HB2 PHE 46 HB2 PHE 46 88.915 -10.677 4.302 350 HB3 PHE 46 HB1 PHE 46 89.509 -9.483 5.456 351 HD1 PHE 46 HD2 PHE 46 90.636 -12.184 3.132 352 HD2 PHE 46 HD1 PHE 46 91.700 -8.622 5.284 353 HE1 PHE 46 HE2 PHE 46 92.815 -12.121 1.949 354 HE2 PHE 46 HE1 PHE 46 93.878 -8.558 4.101 355 HZ PHE 46 HZ PHE 46 94.436 -10.306 2.433 356 H THR 47 H THR 47 92.249 -11.699 6.401 357 HA THR 47 HA THR 47 92.344 -11.048 9.205 358 HB THR 47 HB THR 47 94.649 -11.225 7.256 359 HG1 THR 47 HG1 THR 47 93.142 -13.086 7.421 360 HG21 THR 47 HG21 THR 47 95.341 -10.272 9.340 361 HG22 THR 47 HG22 THR 47 95.815 -11.970 9.389 362 HG23 THR 47 HG23 THR 47 94.380 -11.428 10.261 363 H TYR 48 H TYR 48 91.371 -8.960 9.219 364 HA TYR 48 HA TYR 48 92.196 -6.744 7.730 365 HB2 TYR 48 HB2 TYR 48 90.801 -7.140 10.336 366 HB3 TYR 48 HB3 TYR 48 91.394 -5.523 9.965 367 HD1 TYR 48 HD2 TYR 48 90.797 -4.519 7.685 368 HD2 TYR 48 HD1 TYR 48 88.791 -7.919 9.371 369 HE1 TYR 48 HE2 TYR 48 88.875 -4.130 6.176 370 HE2 TYR 48 HE1 TYR 48 86.866 -7.531 7.859 371 HH TYR 48 HH TYR 48 86.323 -4.712 6.269 372 H THR 49 H THR 49 93.525 -4.962 8.265 373 HA THR 49 HA THR 49 95.996 -5.742 9.582 374 HB THR 49 HB THR 49 96.829 -3.572 8.777 375 HG1 THR 49 HG1 THR 49 95.422 -2.071 8.470 376 HG21 THR 49 HG21 THR 49 97.056 -5.246 7.143 377 HG22 THR 49 HG22 THR 49 96.208 -3.962 6.283 378 HG23 THR 49 HG23 THR 49 95.315 -5.358 6.883 379 H ASP 50 H ASP 50 96.955 -4.589 11.321 380 HA ASP 50 HA ASP 50 95.397 -4.101 13.532 381 HB2 ASP 50 HB2 ASP 50 98.009 -2.724 12.860 382 HB3 ASP 50 HB1 ASP 50 97.310 -2.893 14.470 383 H ALA 51 H ALA 51 96.482 -1.744 11.105 384 HA ALA 51 HA ALA 51 95.522 0.586 12.285 385 HB1 ALA 51 HB1 ALA 51 95.551 -0.096 9.336 386 HB2 ALA 51 HB2 ALA 51 96.916 0.541 10.252 387 HB3 ALA 51 HB3 ALA 51 95.471 1.524 10.028 388 H ASN 52 H ASN 52 93.825 -1.800 10.288 389 HA ASN 52 HA ASN 52 91.335 -0.316 10.356 390 HB2 ASN 52 HB2 ASN 52 92.240 -2.954 9.248 391 HB3 ASN 52 HB1 ASN 52 90.517 -2.656 9.450 392 HD21 ASN 52 HD21 ASN 52 90.198 -2.593 7.110 393 HD22 ASN 52 HD22 ASN 52 90.715 -1.256 6.197 394 H LYS 53 H LYS 53 92.935 -2.746 12.223 395 HA LYS 53 HA LYS 53 90.532 -3.552 13.650 396 HB2 LYS 53 HB2 LYS 53 91.774 -5.410 13.941 397 HB3 LYS 53 HB3 LYS 53 93.175 -4.613 13.239 398 HG2 LYS 53 HG2 LYS 53 93.727 -3.640 15.450 399 HG3 LYS 53 HG3 LYS 53 92.325 -4.455 16.149 400 HD2 LYS 53 HD2 LYS 53 93.253 -6.618 15.718 401 HD3 LYS 53 HD3 LYS 53 94.527 -5.941 14.703 402 HE2 LYS 53 HE2 LYS 53 94.226 -5.243 17.632 403 HE3 LYS 53 HE3 LYS 53 95.240 -6.570 17.063 404 HZ1 LYS 53 HZ1 LYS 53 96.613 -4.672 17.253 405 HZ2 LYS 53 HZ2 LYS 53 95.506 -3.689 16.420 406 HZ3 LYS 53 HZ3 LYS 53 96.352 -4.908 15.594 407 H ASN 54 H ASN 54 92.748 -1.043 13.724 408 HA ASN 54 HA ASN 54 93.024 -0.582 16.505 409 HB2 ASN 54 HB2 ASN 54 94.026 1.399 15.894 410 HB3 ASN 54 HB1 ASN 54 94.215 0.487 14.402 411 HD21 ASN 54 HD21 ASN 54 91.476 0.713 13.473 412 HD22 ASN 54 HD22 ASN 54 91.199 2.341 13.085 413 H LYS 55 H LYS 55 90.435 -0.200 14.314 414 HA LYS 55 HA LYS 55 88.305 0.682 14.522 415 HB2 LYS 55 HB2 LYS 55 88.888 0.326 17.471 416 HB3 LYS 55 HB3 LYS 55 87.292 0.521 16.747 417 HG2 LYS 55 HG2 LYS 55 87.307 -1.604 15.799 418 HG3 LYS 55 HG3 LYS 55 89.067 -1.680 15.738 419 HD2 LYS 55 HD2 LYS 55 89.134 -1.878 18.207 420 HD3 LYS 55 HD3 LYS 55 87.371 -1.845 18.248 421 HE2 LYS 55 HE2 LYS 55 87.196 -3.927 17.126 422 HE3 LYS 55 HE3 LYS 55 88.877 -3.876 16.597 423 HZ1 LYS 55 HZ1 LYS 55 89.324 -3.807 19.144 424 HZ2 LYS 55 HZ2 LYS 55 89.005 -5.288 18.375 425 HZ3 LYS 55 HZ3 LYS 55 87.779 -4.500 19.248 426 H GLY 56 H GLY 56 89.677 2.694 13.821 427 HA2 GLY 56 HA2 GLY 56 89.746 4.777 15.882 428 HA3 GLY 56 HA3 GLY 56 90.411 4.897 14.257 429 H ILE 57 H ILE 57 88.048 3.997 12.874 430 HA ILE 57 HA ILE 57 86.017 6.003 13.576 431 HB ILE 57 HB ILE 57 85.959 6.900 11.317 432 HG12 ILE 57 HG12 ILE 57 88.212 6.162 9.985 433 HG13 ILE 57 HG13 ILE 57 87.875 4.659 10.841 434 HG21 ILE 57 HG21 ILE 57 88.029 8.153 11.385 435 HG22 ILE 57 HG22 ILE 57 88.812 6.894 12.339 436 HG23 ILE 57 HG23 ILE 57 87.517 7.858 13.046 437 HD11 ILE 57 HD11 ILE 57 85.725 4.445 9.825 438 HD12 ILE 57 HD12 ILE 57 86.812 4.915 8.523 439 HD13 ILE 57 HD13 ILE 57 85.746 6.112 9.253 440 H THR 58 H THR 58 84.222 5.816 11.717 441 HA THR 58 HA THR 58 83.695 2.933 11.318 442 HB THR 58 HB THR 58 81.907 5.109 12.361 443 HG1 THR 58 HG1 THR 58 83.059 3.570 13.706 444 HG21 THR 58 HG21 THR 58 80.087 3.246 12.023 445 HG22 THR 58 HG22 THR 58 81.153 2.703 10.729 446 HG23 THR 58 HG23 THR 58 80.478 4.331 10.688 447 H TRP 59 H TRP 59 82.852 2.305 9.393 448 HA TRP 59 HA TRP 59 83.249 3.943 7.125 449 HB2 TRP 59 HB2 TRP 59 81.412 1.555 7.177 450 HB3 TRP 59 HB1 TRP 59 82.418 2.141 5.850 451 HD1 TRP 59 HD1 TRP 59 85.158 2.474 7.289 452 HE1 TRP 59 HE1 TRP 59 86.472 0.406 8.099 453 HE3 TRP 59 HE3 TRP 59 81.378 -0.946 7.571 454 HZ2 TRP 59 HZ2 TRP 59 85.975 -2.322 8.808 455 HZ3 TRP 59 HZ3 TRP 59 81.830 -3.266 8.303 456 HH2 TRP 59 HH2 TRP 59 84.122 -3.956 8.925 457 H LYS 60 H LYS 60 81.911 5.214 5.970 458 HA LYS 60 HA LYS 60 79.037 5.221 6.446 459 HB2 LYS 60 HB2 LYS 60 80.781 7.624 7.053 460 HB3 LYS 60 HB3 LYS 60 79.027 7.683 6.901 461 HG2 LYS 60 HG2 LYS 60 78.995 5.815 8.689 462 HG3 LYS 60 HG3 LYS 60 80.676 6.257 8.989 463 HD2 LYS 60 HD2 LYS 60 78.454 8.310 8.996 464 HD3 LYS 60 HD3 LYS 60 78.914 7.422 10.447 465 HE2 LYS 60 HE2 LYS 60 81.257 8.216 10.153 466 HE3 LYS 60 HE3 LYS 60 80.731 9.176 8.771 467 HZ1 LYS 60 HZ1 LYS 60 79.091 10.231 10.318 468 HZ2 LYS 60 HZ2 LYS 60 80.719 10.599 10.631 469 HZ3 LYS 60 HZ3 LYS 60 79.900 9.468 11.599 470 H GLU 61 H GLU 61 78.449 7.620 5.149 471 HA GLU 61 HA GLU 61 78.973 6.865 2.422 472 HB2 GLU 61 HB2 GLU 61 76.805 7.819 3.117 473 HB3 GLU 61 HB3 GLU 61 77.611 9.333 3.528 474 HG2 GLU 61 HG2 GLU 61 78.287 9.669 1.227 475 HG3 GLU 61 HG3 GLU 61 77.688 8.074 0.772 476 H GLU 62 H GLU 62 79.610 9.866 4.262 477 HA GLU 62 HA GLU 62 81.358 10.935 2.281 478 HB2 GLU 62 HB2 GLU 62 80.991 11.640 5.203 479 HB3 GLU 62 HB3 GLU 62 81.955 12.579 4.062 480 HG2 GLU 62 HG2 GLU 62 79.040 11.914 3.596 481 HG3 GLU 62 HG3 GLU 62 79.570 13.395 4.389 482 H THR 63 H THR 63 81.891 9.148 5.296 483 HA THR 63 HA THR 63 84.674 9.395 5.455 484 HB THR 63 HB THR 63 84.619 7.305 6.748 485 HG1 THR 63 HG1 THR 63 83.165 6.148 5.494 486 HG21 THR 63 HG21 THR 63 83.959 9.190 8.011 487 HG22 THR 63 HG22 THR 63 82.707 7.989 8.321 488 HG23 THR 63 HG23 THR 63 82.406 9.303 7.184 489 H LEU 64 H LEU 64 82.633 7.253 3.558 490 HA LEU 64 HA LEU 64 84.726 5.589 2.593 491 HB2 LEU 64 HB2 LEU 64 81.871 5.917 2.135 492 HB3 LEU 64 HB3 LEU 64 82.734 5.593 0.640 493 HG LEU 64 HG LEU 64 83.145 3.936 3.135 494 HD11 LEU 64 HD11 LEU 64 81.685 2.362 1.416 495 HD12 LEU 64 HD12 LEU 64 80.938 3.939 1.176 496 HD13 LEU 64 HD13 LEU 64 81.009 3.237 2.789 497 HD21 LEU 64 HD21 LEU 64 83.808 2.275 1.241 498 HD22 LEU 64 HD22 LEU 64 84.938 3.569 1.631 499 HD23 LEU 64 HD23 LEU 64 83.896 3.705 0.215 500 H MET 65 H MET 65 83.296 8.626 1.505 501 HA MET 65 HA MET 65 84.411 8.727 -1.071 502 HB2 MET 65 HB2 MET 65 83.804 10.996 0.836 503 HB3 MET 65 HB1 MET 65 84.148 11.185 -0.883 504 HG2 MET 65 HG2 MET 65 82.202 9.922 -1.497 505 HG3 MET 65 HG1 MET 65 81.930 9.424 0.172 506 HE1 MET 65 HE1 MET 65 80.399 11.508 -2.397 507 HE2 MET 65 HE2 MET 65 82.047 12.131 -2.407 508 HE3 MET 65 HE3 MET 65 80.714 13.194 -1.963 509 H GLU 66 H GLU 66 85.666 10.247 1.915 510 HA GLU 66 HA GLU 66 88.106 11.100 0.805 511 HB2 GLU 66 HB2 GLU 66 87.573 10.275 3.672 512 HB3 GLU 66 HB3 GLU 66 88.883 11.312 3.106 513 HG2 GLU 66 HG2 GLU 66 87.093 12.856 2.165 514 HG3 GLU 66 HG3 GLU 66 85.915 11.896 3.056 515 H TYR 67 H TYR 67 87.023 8.028 2.026 516 HA TYR 67 HA TYR 67 89.643 6.823 2.142 517 HB2 TYR 67 HB2 TYR 67 87.985 5.930 3.610 518 HB3 TYR 67 HB3 TYR 67 86.833 5.743 2.295 519 HD1 TYR 67 HD2 TYR 67 87.080 3.949 0.632 520 HD2 TYR 67 HD1 TYR 67 89.803 4.345 3.930 521 HE1 TYR 67 HE2 TYR 67 87.912 1.649 0.222 522 HE2 TYR 67 HE1 TYR 67 90.633 2.044 3.522 523 HH TYR 67 HH TYR 67 90.481 0.464 0.955 524 H LEU 68 H LEU 68 87.110 7.229 -0.205 525 HA LEU 68 HA LEU 68 88.103 5.219 -2.024 526 HB2 LEU 68 HB2 LEU 68 85.893 7.231 -2.024 527 HB3 LEU 68 HB3 LEU 68 86.446 6.621 -3.577 528 HG LEU 68 HG LEU 68 85.593 4.868 -1.256 529 HD11 LEU 68 HD11 LEU 68 83.602 5.861 -1.958 530 HD12 LEU 68 HD12 LEU 68 83.656 4.407 -2.947 531 HD13 LEU 68 HD13 LEU 68 84.113 5.964 -3.639 532 HD21 LEU 68 HD21 LEU 68 86.706 4.373 -3.970 533 HD22 LEU 68 HD22 LEU 68 85.366 3.345 -3.477 534 HD23 LEU 68 HD23 LEU 68 86.832 3.406 -2.505 535 H GLU 69 H GLU 69 88.749 8.542 -1.362 536 HA GLU 69 HA GLU 69 90.021 8.975 -3.967 537 HB2 GLU 69 HB2 GLU 69 89.891 11.224 -3.524 538 HB3 GLU 69 HB3 GLU 69 88.586 10.670 -2.482 539 HG2 GLU 69 HG2 GLU 69 89.792 12.011 -1.013 540 HG3 GLU 69 HG3 GLU 69 90.492 10.430 -0.683 541 H ASN 70 H ASN 70 90.796 7.738 -0.966 542 HA ASN 70 HA ASN 70 93.536 7.374 -1.570 543 HB2 ASN 70 HB2 ASN 70 93.274 9.907 -0.838 544 HB3 ASN 70 HB1 ASN 70 93.271 9.215 0.779 545 HD21 ASN 70 HD21 ASN 70 95.119 7.120 0.516 546 HD22 ASN 70 HD22 ASN 70 96.641 7.751 0.112 547 HA PRO 71 HA PRO 71 91.226 4.592 1.465 548 HB2 PRO 71 HB2 PRO 71 92.991 2.723 -0.063 549 HB3 PRO 71 HB1 PRO 71 91.305 2.519 0.444 550 HG2 PRO 71 HG2 PRO 71 91.952 3.091 -2.080 551 HG3 PRO 71 HG1 PRO 71 90.485 3.731 -1.322 552 HD2 PRO 71 HD2 PRO 71 93.016 5.144 -2.004 553 HD3 PRO 71 HD1 PRO 71 91.364 5.786 -1.873 554 H LYS 72 H LYS 72 94.646 4.723 0.514 555 HA LYS 72 HA LYS 72 95.596 3.389 2.864 556 HB2 LYS 72 HB2 LYS 72 96.808 3.442 0.686 557 HB3 LYS 72 HB3 LYS 72 97.133 5.152 0.954 558 HG2 LYS 72 HG2 LYS 72 98.937 4.599 2.191 559 HG3 LYS 72 HG3 LYS 72 97.874 3.813 3.354 560 HD2 LYS 72 HD2 LYS 72 98.864 2.446 0.836 561 HD3 LYS 72 HD3 LYS 72 99.691 2.327 2.388 562 HE2 LYS 72 HE2 LYS 72 96.855 1.442 1.777 563 HE3 LYS 72 HE3 LYS 72 98.230 0.405 2.155 564 HZ1 LYS 72 HZ1 LYS 72 98.355 1.717 4.307 565 HZ2 LYS 72 HZ2 LYS 72 97.076 0.610 4.151 566 HZ3 LYS 72 HZ3 LYS 72 96.796 2.272 3.940 567 H LYS 73 H LYS 73 95.600 6.803 1.837 568 HA LYS 73 HA LYS 73 96.911 7.789 4.121 569 HB2 LYS 73 HB2 LYS 73 96.641 9.041 1.988 570 HB3 LYS 73 HB3 LYS 73 94.937 9.271 2.379 571 HG2 LYS 73 HG2 LYS 73 95.464 10.549 4.335 572 HG3 LYS 73 HG3 LYS 73 97.168 10.105 4.244 573 HD2 LYS 73 HD2 LYS 73 96.946 12.356 3.388 574 HD3 LYS 73 HD3 LYS 73 97.286 11.289 2.026 575 HE2 LYS 73 HE2 LYS 73 95.044 11.343 1.274 576 HE3 LYS 73 HE3 LYS 73 94.452 11.966 2.813 577 HZ1 LYS 73 HZ1 LYS 73 94.911 13.502 0.703 578 HZ2 LYS 73 HZ2 LYS 73 96.436 13.591 1.446 579 HZ3 LYS 73 HZ3 LYS 73 95.042 14.061 2.299 580 H TYR 74 H TYR 74 93.547 6.990 3.560 581 HA TYR 74 HA TYR 74 92.451 8.490 5.702 582 HB2 TYR 74 HB2 TYR 74 91.324 7.180 3.685 583 HB3 TYR 74 HB3 TYR 74 91.217 5.893 4.883 584 HD1 TYR 74 HD1 TYR 74 90.710 9.623 4.766 585 HD2 TYR 74 HD2 TYR 74 89.228 5.816 6.098 586 HE1 TYR 74 HE1 TYR 74 88.753 10.743 5.794 587 HE2 TYR 74 HE2 TYR 74 87.273 6.939 7.127 588 HH TYR 74 HH TYR 74 86.827 9.371 8.046 589 H ILE 75 H ILE 75 93.185 5.000 5.499 590 HA ILE 75 HA ILE 75 93.624 5.017 8.430 591 HB ILE 75 HB ILE 75 92.384 2.762 6.831 592 HG12 ILE 75 HG12 ILE 75 91.007 4.530 8.863 593 HG13 ILE 75 HG13 ILE 75 91.011 4.927 7.146 594 HG21 ILE 75 HG21 ILE 75 92.907 3.213 9.785 595 HG22 ILE 75 HG22 ILE 75 93.549 1.921 8.770 596 HG23 ILE 75 HG23 ILE 75 91.833 1.954 9.173 597 HD11 ILE 75 HD11 ILE 75 90.080 2.263 8.241 598 HD12 ILE 75 HD12 ILE 75 89.907 2.855 6.588 599 HD13 ILE 75 HD13 ILE 75 88.995 3.609 7.896 600 HA PRO 76 HA PRO 76 97.505 3.915 5.981 601 HB2 PRO 76 HB2 PRO 76 98.386 4.664 8.753 602 HB3 PRO 76 HB1 PRO 76 99.167 5.004 7.196 603 HG2 PRO 76 HG2 PRO 76 97.745 6.863 8.480 604 HG3 PRO 76 HG1 PRO 76 97.752 6.747 6.712 605 HD2 PRO 76 HD2 PRO 76 95.576 6.090 8.613 606 HD3 PRO 76 HD1 PRO 76 95.480 6.484 6.884 607 H GLY 77 H GLY 77 98.016 1.823 5.826 608 HA2 GLY 77 HA2 GLY 77 99.094 -0.092 6.942 609 HA3 GLY 77 HA3 GLY 77 97.952 0.134 8.262 610 H THR 78 H THR 78 95.786 0.763 6.280 611 HA THR 78 HA THR 78 94.575 -1.742 6.119 612 HB THR 78 HB THR 78 93.312 0.337 5.911 613 HG1 THR 78 HG1 THR 78 92.976 -1.804 4.521 614 HG21 THR 78 HG21 THR 78 95.102 1.512 4.593 615 HG22 THR 78 HG22 THR 78 93.473 1.726 3.949 616 HG23 THR 78 HG23 THR 78 94.584 0.593 3.180 617 H LYS 79 H LYS 79 94.618 -3.389 4.680 618 HA LYS 79 HA LYS 79 96.722 -3.353 2.678 619 HB2 LYS 79 HB2 LYS 79 95.559 -5.321 4.281 620 HB3 LYS 79 HB3 LYS 79 95.001 -5.711 2.658 621 HG2 LYS 79 HG2 LYS 79 97.108 -6.843 3.019 622 HG3 LYS 79 HG3 LYS 79 97.376 -5.542 1.861 623 HD2 LYS 79 HD2 LYS 79 98.790 -4.442 3.259 624 HD3 LYS 79 HD3 LYS 79 97.727 -4.667 4.647 625 HE2 LYS 79 HE2 LYS 79 99.502 -6.844 3.511 626 HE3 LYS 79 HE3 LYS 79 99.947 -5.824 4.879 627 HZ1 LYS 79 HZ1 LYS 79 98.131 -8.048 4.767 628 HZ2 LYS 79 HZ2 LYS 79 97.467 -6.685 5.533 629 HZ3 LYS 79 HZ3 LYS 79 98.918 -7.358 6.102 630 H MET 80 H MET 80 96.021 -1.923 1.089 631 HA MET 80 HA MET 80 94.440 -3.007 -0.984 632 HB2 MET 80 HB2 MET 80 92.506 -2.547 0.359 633 HB3 MET 80 HB1 MET 80 93.090 -0.929 0.750 634 HG2 MET 80 HG2 MET 80 92.742 -0.150 -1.468 635 HG3 MET 80 HG1 MET 80 92.575 -1.786 -2.103 636 HE1 MET 80 HE1 MET 80 89.184 0.525 -2.118 637 HE2 MET 80 HE2 MET 80 90.325 -0.236 -3.223 638 HE3 MET 80 HE3 MET 80 90.880 1.026 -2.124 639 H ILE 81 H ILE 81 96.106 -2.354 -2.299 640 HA ILE 81 HA ILE 81 96.379 0.568 -2.697 641 HB ILE 81 HB ILE 81 98.533 -1.560 -2.765 642 HG12 ILE 81 HG12 ILE 81 99.599 0.158 -1.180 643 HG13 ILE 81 HG13 ILE 81 98.014 0.923 -1.106 644 HG21 ILE 81 HG21 ILE 81 99.994 0.464 -3.373 645 HG22 ILE 81 HG22 ILE 81 98.491 1.273 -3.816 646 HG23 ILE 81 HG23 ILE 81 98.984 -0.196 -4.659 647 HD11 ILE 81 HD11 ILE 81 97.806 -1.954 -0.685 648 HD12 ILE 81 HD12 ILE 81 97.253 -0.630 0.339 649 HD13 ILE 81 HD13 ILE 81 98.910 -1.212 0.473 650 H PHE 82 H PHE 82 95.042 0.749 -4.452 651 HA PHE 82 HA PHE 82 95.893 -0.695 -6.888 652 HB2 PHE 82 HB2 PHE 82 93.843 -1.757 -6.105 653 HB3 PHE 82 HB1 PHE 82 93.045 -0.189 -5.991 654 HD1 PHE 82 HD1 PHE 82 94.739 -2.486 -8.406 655 HD2 PHE 82 HD2 PHE 82 91.974 0.759 -7.869 656 HE1 PHE 82 HE1 PHE 82 94.101 -2.633 -10.798 657 HE2 PHE 82 HE2 PHE 82 91.336 0.612 -10.261 658 HZ PHE 82 HZ PHE 82 92.400 -1.084 -11.726 659 H ALA 83 H ALA 83 93.398 1.740 -6.155 660 HA ALA 83 HA ALA 83 94.806 3.963 -7.177 661 HB1 ALA 83 HB1 ALA 83 94.717 2.954 -9.341 662 HB2 ALA 83 HB2 ALA 83 93.471 4.203 -9.321 663 HB3 ALA 83 HB3 ALA 83 93.023 2.509 -9.134 664 H GLY 84 H GLY 84 93.821 5.690 -6.346 665 HA2 GLY 84 HA2 GLY 84 91.247 5.455 -5.092 666 HA3 GLY 84 HA3 GLY 84 92.239 6.908 -5.175 667 H ILE 85 H ILE 85 89.775 7.554 -5.470 668 HA ILE 85 HA ILE 85 88.929 7.370 -8.270 669 HB ILE 85 HB ILE 85 87.641 8.533 -5.798 670 HG12 ILE 85 HG12 ILE 85 87.829 5.950 -6.376 671 HG13 ILE 85 HG13 ILE 85 86.317 6.616 -5.772 672 HG21 ILE 85 HG21 ILE 85 86.778 8.573 -8.693 673 HG22 ILE 85 HG22 ILE 85 86.867 9.922 -7.562 674 HG23 ILE 85 HG23 ILE 85 85.615 8.694 -7.374 675 HD11 ILE 85 HD11 ILE 85 85.304 6.593 -7.888 676 HD12 ILE 85 HD12 ILE 85 86.234 5.095 -7.877 677 HD13 ILE 85 HD13 ILE 85 86.849 6.509 -8.733 678 H LYS 86 H LYS 86 88.288 9.351 -9.426 679 HA LYS 86 HA LYS 86 90.257 11.481 -8.952 680 HB2 LYS 86 HB2 LYS 86 88.579 11.523 -11.400 681 HB3 LYS 86 HB3 LYS 86 90.310 11.800 -11.210 682 HG2 LYS 86 HG2 LYS 86 90.491 9.285 -10.708 683 HG3 LYS 86 HG3 LYS 86 88.847 9.160 -11.332 684 HD2 LYS 86 HD2 LYS 86 90.022 8.807 -13.295 685 HD3 LYS 86 HD3 LYS 86 89.885 10.564 -13.352 686 HE2 LYS 86 HE2 LYS 86 92.183 10.106 -13.774 687 HE3 LYS 86 HE3 LYS 86 92.120 10.620 -12.088 688 HZ1 LYS 86 HZ1 LYS 86 91.843 7.768 -12.734 689 HZ2 LYS 86 HZ2 LYS 86 92.453 8.501 -11.327 690 HZ3 LYS 86 HZ3 LYS 86 93.387 8.470 -12.747 691 H LYS 87 H LYS 87 86.947 11.494 -10.309 692 HA LYS 87 HA LYS 87 86.500 14.140 -9.187 693 HB2 LYS 87 HB2 LYS 87 84.596 12.408 -10.772 694 HB3 LYS 87 HB3 LYS 87 84.464 14.143 -10.481 695 HG2 LYS 87 HG2 LYS 87 86.876 14.194 -11.576 696 HG3 LYS 87 HG3 LYS 87 86.362 12.659 -12.277 697 HD2 LYS 87 HD2 LYS 87 84.778 15.239 -12.478 698 HD3 LYS 87 HD3 LYS 87 85.854 14.632 -13.736 699 HE2 LYS 87 HE2 LYS 87 83.439 13.165 -12.632 700 HE3 LYS 87 HE3 LYS 87 83.517 13.986 -14.190 701 HZ1 LYS 87 HZ1 LYS 87 84.860 11.521 -13.323 702 HZ2 LYS 87 HZ2 LYS 87 85.577 12.479 -14.529 703 HZ3 LYS 87 HZ3 LYS 87 84.021 11.838 -14.761 704 H LYS 88 H LYS 88 84.473 14.648 -8.051 705 HA LYS 88 HA LYS 88 84.154 12.989 -5.751 706 HB2 LYS 88 HB2 LYS 88 83.881 15.346 -5.469 707 HB3 LYS 88 HB3 LYS 88 82.672 15.426 -6.747 708 HG2 LYS 88 HG2 LYS 88 81.990 13.531 -4.579 709 HG3 LYS 88 HG3 LYS 88 82.098 15.209 -4.052 710 HD2 LYS 88 HD2 LYS 88 80.566 15.858 -5.916 711 HD3 LYS 88 HD3 LYS 88 80.393 14.152 -6.327 712 HE2 LYS 88 HE2 LYS 88 78.524 14.684 -4.935 713 HE3 LYS 88 HE3 LYS 88 79.644 13.782 -3.918 714 HZ1 LYS 88 HZ1 LYS 88 78.603 16.086 -3.185 715 HZ2 LYS 88 HZ2 LYS 88 79.972 16.676 -4.000 716 HZ3 LYS 88 HZ3 LYS 88 80.152 15.597 -2.700 717 H THR 89 H THR 89 81.953 13.820 -8.447 718 HA THR 89 HA THR 89 79.777 12.277 -7.695 719 HB THR 89 HB THR 89 79.224 12.141 -10.104 720 HG1 THR 89 HG1 THR 89 80.675 12.760 -11.592 721 HG21 THR 89 HG21 THR 89 78.619 14.163 -8.936 722 HG22 THR 89 HG22 THR 89 79.270 14.633 -10.506 723 HG23 THR 89 HG23 THR 89 80.264 14.786 -9.058 724 H GLU 90 H GLU 90 82.864 11.272 -8.938 725 HA GLU 90 HA GLU 90 82.076 8.656 -9.768 726 HB2 GLU 90 HB2 GLU 90 84.721 9.923 -9.076 727 HB3 GLU 90 HB3 GLU 90 84.598 8.202 -9.429 728 HG2 GLU 90 HG2 GLU 90 83.690 8.651 -11.623 729 HG3 GLU 90 HG3 GLU 90 83.568 10.374 -11.270 730 H ARG 91 H ARG 91 83.233 10.093 -6.769 731 HA ARG 91 HA ARG 91 83.376 7.600 -5.335 732 HB2 ARG 91 HB2 ARG 91 83.238 10.444 -4.286 733 HB3 ARG 91 HB3 ARG 91 83.711 9.018 -3.363 734 HG2 ARG 91 HG2 ARG 91 85.534 8.660 -5.101 735 HG3 ARG 91 HG3 ARG 91 85.165 10.277 -5.695 736 HD2 ARG 91 HD2 ARG 91 85.415 10.893 -3.113 737 HD3 ARG 91 HD3 ARG 91 86.402 9.437 -3.103 738 HE ARG 91 HE ARG 91 87.949 10.503 -4.540 739 HH11 ARG 91 HH21 ARG 91 85.181 12.479 -3.833 740 HH12 ARG 91 HH22 ARG 91 85.923 13.939 -4.387 741 HH21 ARG 91 HH11 ARG 91 88.906 12.419 -5.268 742 HH22 ARG 91 HH12 ARG 91 88.024 13.907 -5.199 743 H GLU 92 H GLU 92 81.139 10.381 -5.342 744 HA GLU 92 HA GLU 92 79.287 9.377 -3.500 745 HB2 GLU 92 HB2 GLU 92 79.483 11.697 -4.829 746 HB3 GLU 92 HB3 GLU 92 78.263 10.927 -5.839 747 HG2 GLU 92 HG2 GLU 92 78.116 11.437 -2.856 748 HG3 GLU 92 HG3 GLU 92 77.102 12.146 -4.111 749 H ASP 93 H ASP 93 79.220 9.199 -7.073 750 HA ASP 93 HA ASP 93 76.942 7.576 -7.301 751 HB2 ASP 93 HB2 ASP 93 79.388 7.713 -9.085 752 HB3 ASP 93 HB1 ASP 93 77.860 6.951 -9.524 753 H LEU 94 H LEU 94 80.386 6.651 -7.286 754 HA LEU 94 HA LEU 94 80.097 3.889 -7.398 755 HB2 LEU 94 HB2 LEU 94 82.286 4.954 -7.560 756 HB3 LEU 94 HB3 LEU 94 82.150 5.528 -5.900 757 HG LEU 94 HG LEU 94 82.153 3.250 -5.056 758 HD11 LEU 94 HD11 LEU 94 81.041 1.946 -6.638 759 HD12 LEU 94 HD12 LEU 94 82.716 1.454 -6.877 760 HD13 LEU 94 HD13 LEU 94 81.970 2.606 -7.983 761 HD21 LEU 94 HD21 LEU 94 84.424 2.719 -5.502 762 HD22 LEU 94 HD22 LEU 94 84.322 4.466 -5.697 763 HD23 LEU 94 HD23 LEU 94 84.356 3.420 -7.117 764 H ILE 95 H ILE 95 79.865 6.092 -4.667 765 HA ILE 95 HA ILE 95 79.663 3.998 -2.733 766 HB ILE 95 HB ILE 95 79.336 6.976 -2.640 767 HG12 ILE 95 HG12 ILE 95 81.105 5.379 -0.840 768 HG13 ILE 95 HG13 ILE 95 81.531 5.402 -2.544 769 HG21 ILE 95 HG21 ILE 95 77.714 6.477 -1.043 770 HG22 ILE 95 HG22 ILE 95 79.168 6.423 -0.046 771 HG23 ILE 95 HG23 ILE 95 78.447 4.927 -0.636 772 HD11 ILE 95 HD11 ILE 95 82.310 7.302 -0.749 773 HD12 ILE 95 HD12 ILE 95 80.858 8.047 -1.407 774 HD13 ILE 95 HD13 ILE 95 82.174 7.578 -2.481 775 H ALA 96 H ALA 96 77.459 5.789 -4.722 776 HA ALA 96 HA ALA 96 75.078 5.239 -3.266 777 HB1 ALA 96 HB1 ALA 96 75.379 5.657 -6.249 778 HB2 ALA 96 HB2 ALA 96 75.284 6.966 -5.070 779 HB3 ALA 96 HB3 ALA 96 73.914 5.876 -5.291 780 H TYR 97 H TYR 97 76.980 3.509 -5.651 781 HA TYR 97 HA TYR 97 75.039 1.407 -6.022 782 HB2 TYR 97 HB2 TYR 97 76.529 1.820 -7.855 783 HB3 TYR 97 HB3 TYR 97 77.945 1.688 -6.813 784 HD1 TYR 97 HD1 TYR 97 75.108 -0.222 -8.282 785 HD2 TYR 97 HD2 TYR 97 78.896 -0.436 -6.271 786 HE1 TYR 97 HE1 TYR 97 75.189 -2.665 -8.694 787 HE2 TYR 97 HE2 TYR 97 78.976 -2.880 -6.682 788 HH TYR 97 HH TYR 97 77.045 -4.737 -7.100 789 H LEU 98 H LEU 98 78.044 1.864 -4.182 790 HA LEU 98 HA LEU 98 78.285 -0.740 -3.166 791 HB2 LEU 98 HB2 LEU 98 79.190 1.959 -2.205 792 HB3 LEU 98 HB3 LEU 98 79.444 0.536 -1.202 793 HG LEU 98 HG LEU 98 80.270 0.466 -4.097 794 HD11 LEU 98 HD11 LEU 98 82.445 1.353 -3.567 795 HD12 LEU 98 HD12 LEU 98 82.029 1.492 -1.859 796 HD13 LEU 98 HD13 LEU 98 81.252 2.537 -3.046 797 HD21 LEU 98 HD21 LEU 98 81.821 -1.190 -3.291 798 HD22 LEU 98 HD22 LEU 98 80.258 -1.557 -2.563 799 HD23 LEU 98 HD23 LEU 98 81.503 -0.746 -1.614 800 H LYS 99 H LYS 99 76.096 1.827 -2.408 801 HA LYS 99 HA LYS 99 75.353 0.811 0.196 802 HB2 LYS 99 HB2 LYS 99 74.375 3.013 -1.594 803 HB3 LYS 99 HB3 LYS 99 73.386 2.488 -0.233 804 HG2 LYS 99 HG2 LYS 99 75.428 2.808 1.243 805 HG3 LYS 99 HG3 LYS 99 76.214 3.574 -0.139 806 HD2 LYS 99 HD2 LYS 99 73.538 4.483 0.954 807 HD3 LYS 99 HD3 LYS 99 75.076 5.171 1.477 808 HE2 LYS 99 HE2 LYS 99 75.550 5.593 -1.011 809 HE3 LYS 99 HE3 LYS 99 73.842 5.247 -1.281 810 HZ1 LYS 99 HZ1 LYS 99 73.886 7.522 -0.974 811 HZ2 LYS 99 HZ2 LYS 99 75.065 7.451 0.247 812 HZ3 LYS 99 HZ3 LYS 99 73.472 6.957 0.571 813 H LYS 100 H LYS 100 73.767 0.987 -2.995 814 HA LYS 100 HA LYS 100 71.559 -0.659 -2.163 815 HB2 LYS 100 HB2 LYS 100 72.505 0.368 -4.838 816 HB3 LYS 100 HB3 LYS 100 71.110 -0.700 -4.680 817 HG2 LYS 100 HG2 LYS 100 69.888 0.882 -3.424 818 HG3 LYS 100 HG3 LYS 100 71.330 1.816 -3.031 819 HD2 LYS 100 HD2 LYS 100 71.540 2.581 -5.317 820 HD3 LYS 100 HD3 LYS 100 70.242 1.509 -5.843 821 HE2 LYS 100 HE2 LYS 100 69.821 3.651 -3.749 822 HE3 LYS 100 HE3 LYS 100 69.593 3.956 -5.470 823 HZ1 LYS 100 HZ1 LYS 100 68.299 1.605 -4.303 824 HZ2 LYS 100 HZ2 LYS 100 67.782 2.609 -5.572 825 HZ3 LYS 100 HZ3 LYS 100 67.633 3.127 -3.961 826 H ALA 101 H ALA 101 74.739 -1.241 -3.262 827 HA ALA 101 HA ALA 101 74.190 -3.900 -4.309 828 HB1 ALA 101 HB1 ALA 101 76.654 -4.000 -4.601 829 HB2 ALA 101 HB2 ALA 101 76.786 -2.419 -3.832 830 HB3 ALA 101 HB3 ALA 101 75.941 -2.582 -5.371 831 H THR 102 H THR 102 75.388 -2.389 -1.381 832 HA THR 102 HA THR 102 76.126 -4.974 -0.219 833 HB THR 102 HB THR 102 76.867 -3.615 1.712 834 HG1 THR 102 HG1 THR 102 75.564 -1.650 0.211 835 HG21 THR 102 HG21 THR 102 78.584 -3.918 0.145 836 HG22 THR 102 HG22 THR 102 78.535 -2.165 0.330 837 HG23 THR 102 HG23 THR 102 77.781 -2.927 -1.071 838 H ASN 103 H ASN 103 73.389 -3.153 -0.616 839 HA ASN 103 HA ASN 103 72.176 -3.858 1.961 840 HB2 ASN 103 HB2 ASN 103 71.364 -2.106 -0.349 841 HB3 ASN 103 HB1 ASN 103 70.205 -2.588 0.884 842 HD21 ASN 103 HD21 ASN 103 73.622 -2.048 1.632 843 HD22 ASN 103 HD22 ASN 103 73.368 -0.650 2.559 844 H GLU 104 H GLU 104 72.251 -4.825 -1.366 845 HA GLU 104 HA GLU 104 69.868 -6.514 -1.073 846 HB2 GLU 104 HB2 GLU 104 70.040 -6.889 -3.444 847 HB3 GLU 104 HB3 GLU 104 70.248 -5.162 -3.155 848 HG2 GLU 104 HG2 GLU 104 72.770 -5.636 -3.098 849 HG3 GLU 104 HG3 GLU 104 72.376 -7.213 -3.780 850 HHA HEC 201 HA HEC 105 89.440 -3.551 3.157 851 HHB HEC 201 HB HEC 105 85.613 -0.029 -0.435 852 HHC HEC 201 HC HEC 105 88.843 -1.793 -5.582 853 HHD HEC 201 HD HEC 105 92.274 -5.762 -2.044 854 HMA1 HEC 201 HMA1 HEC 105 85.261 -0.466 3.295 855 HMA2 HEC 201 HMA2 HEC 105 84.666 -0.346 1.642 856 HMA3 HEC 201 HMA3 HEC 105 85.826 0.836 2.247 857 HAA1 HEC 201 HAA1 HEC 105 87.126 -0.920 4.466 858 HAA2 HEC 201 HAA2 HEC 105 88.505 -1.997 4.413 859 HBA1 HEC 201 HBA1 HEC 105 87.224 -3.885 4.718 860 HBA2 HEC 201 HBA2 HEC 105 85.807 -3.184 3.947 861 HMB1 HEC 201 HMB1 HEC 105 85.149 1.455 -2.240 862 HMB2 HEC 201 HMB2 HEC 105 84.158 0.080 -2.719 863 HMB3 HEC 201 HMB3 HEC 105 84.846 1.138 -3.945 864 HAB HEC 201 HAB HEC 105 87.291 -0.650 -6.228 865 HBB1 HEC 201 HBB1 HEC 105 87.873 1.588 -6.070 866 HBB2 HEC 201 HBB2 HEC 105 86.185 1.740 -6.554 867 HBB3 HEC 201 HBB3 HEC 105 86.640 1.938 -4.862 868 HMC1 HEC 201 HMC1 HEC 105 91.237 -4.341 -6.967 869 HMC2 HEC 201 HMC2 HEC 105 91.409 -2.607 -6.705 870 HMC3 HEC 201 HMC3 HEC 105 89.811 -3.313 -6.925 871 HAC HEC 201 HAC HEC 105 92.720 -6.168 -3.967 872 HBC1 HEC 201 HBC1 HEC 105 93.654 -5.652 -6.491 873 HBC2 HEC 201 HBC2 HEC 105 94.386 -5.022 -5.017 874 HBC3 HEC 201 HBC3 HEC 105 93.258 -4.027 -5.935 875 HMD1 HEC 201 HMD1 HEC 105 92.370 -7.508 0.255 876 HMD2 HEC 201 HMD2 HEC 105 93.295 -6.634 1.473 877 HMD3 HEC 201 HMD3 HEC 105 93.536 -6.278 -0.234 878 HAD1 HEC 201 HAD1 HEC 105 91.932 -6.385 3.108 879 HAD2 HEC 201 HAD2 HEC 105 90.450 -5.597 3.608 880 HBD1 HEC 201 HBD1 HEC 105 91.855 -3.421 3.647 881 HBD2 HEC 201 HBD2 HEC 105 93.250 -4.498 3.620 882 H1 HOH 301 H2 HOH 200 81.622 3.338 -1.082 883 H2 HOH 301 H1 HOH 200 80.785 2.310 -0.345 884 H1 HOH 302 H2 HOH 201 85.825 4.449 5.999 885 H2 HOH 302 H1 HOH 201 85.038 5.144 7.090 886 H1 HOH 303 H2 HOH 202 81.531 -5.938 6.211 887 H2 HOH 303 H1 HOH 202 82.971 -5.474 6.171 888 H1 HOH 304 H2 HOH 203 81.218 -9.380 -0.319 889 H2 HOH 304 H1 HOH 203 81.995 -10.678 -0.250 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 75.754 11.244 -7.094 2 H2 GLY 1 H2 GLY 1 75.666 10.246 -8.466 3 H3 GLY 1 H3 GLY 1 76.486 9.714 -7.076 4 HA2 GLY 1 HA2 GLY 1 74.637 8.994 -6.093 5 HA3 GLY 1 HA3 GLY 1 73.756 10.449 -6.562 6 H ASP 2 H ASP 2 75.491 8.397 -8.821 7 HA ASP 2 HA ASP 2 72.904 7.634 -10.051 8 HB2 ASP 2 HB2 ASP 2 75.603 7.935 -11.382 9 HB3 ASP 2 HB1 ASP 2 74.077 7.555 -12.178 10 H VAL 3 H VAL 3 72.693 5.743 -8.816 11 HA VAL 3 HA VAL 3 74.493 3.753 -8.296 12 HB VAL 3 HB VAL 3 72.152 3.700 -7.552 13 HG11 VAL 3 HG11 VAL 3 71.520 2.943 -10.420 14 HG12 VAL 3 HG12 VAL 3 71.198 4.526 -9.712 15 HG13 VAL 3 HG13 VAL 3 70.366 3.099 -9.095 16 HG21 VAL 3 HG21 VAL 3 72.799 1.279 -9.264 17 HG22 VAL 3 HG22 VAL 3 71.779 1.314 -7.826 18 HG23 VAL 3 HG23 VAL 3 73.513 1.592 -7.683 19 H GLU 4 H GLU 4 73.336 4.789 -11.368 20 HA GLU 4 HA GLU 4 73.844 2.364 -12.811 21 HB2 GLU 4 HB2 GLU 4 73.460 5.235 -13.657 22 HB3 GLU 4 HB3 GLU 4 73.775 3.940 -14.813 23 HG2 GLU 4 HG2 GLU 4 71.551 3.753 -12.778 24 HG3 GLU 4 HG3 GLU 4 71.309 4.506 -14.354 25 H LYS 5 H LYS 5 75.580 5.494 -12.774 26 HA LYS 5 HA LYS 5 77.870 4.396 -14.097 27 HB2 LYS 5 HB2 LYS 5 77.354 6.994 -12.645 28 HB3 LYS 5 HB3 LYS 5 78.934 6.596 -13.320 29 HG2 LYS 5 HG2 LYS 5 77.932 6.303 -15.545 30 HG3 LYS 5 HG3 LYS 5 76.336 6.661 -14.886 31 HD2 LYS 5 HD2 LYS 5 78.579 8.631 -14.500 32 HD3 LYS 5 HD3 LYS 5 77.719 8.579 -16.038 33 HE2 LYS 5 HE2 LYS 5 75.565 8.844 -14.799 34 HE3 LYS 5 HE3 LYS 5 76.482 9.017 -13.303 35 HZ1 LYS 5 HZ1 LYS 5 76.317 11.185 -13.887 36 HZ2 LYS 5 HZ2 LYS 5 76.220 10.861 -15.552 37 HZ3 LYS 5 HZ3 LYS 5 77.722 10.810 -14.759 38 H GLY 6 H GLY 6 76.756 4.478 -10.860 39 HA2 GLY 6 HA2 GLY 6 79.289 4.250 -9.544 40 HA3 GLY 6 HA3 GLY 6 77.716 3.836 -8.855 41 H LYS 7 H LYS 7 76.944 2.058 -10.952 42 HA LYS 7 HA LYS 7 78.103 -0.368 -10.009 43 HB2 LYS 7 HB2 LYS 7 75.759 -0.115 -10.893 44 HB3 LYS 7 HB3 LYS 7 76.447 0.046 -12.509 45 HG2 LYS 7 HG2 LYS 7 77.667 -2.189 -11.972 46 HG3 LYS 7 HG3 LYS 7 76.484 -2.351 -10.679 47 HD2 LYS 7 HD2 LYS 7 75.367 -3.430 -12.408 48 HD3 LYS 7 HD3 LYS 7 74.760 -1.787 -12.612 49 HE2 LYS 7 HE2 LYS 7 75.424 -2.373 -14.790 50 HE3 LYS 7 HE3 LYS 7 76.817 -1.475 -14.189 51 HZ1 LYS 7 HZ1 LYS 7 77.829 -3.340 -14.978 52 HZ2 LYS 7 HZ2 LYS 7 76.509 -4.354 -14.637 53 HZ3 LYS 7 HZ3 LYS 7 77.535 -3.839 -13.384 54 H LYS 8 H LYS 8 78.432 1.545 -12.994 55 HA LYS 8 HA LYS 8 80.107 -0.226 -14.396 56 HB2 LYS 8 HB2 LYS 8 79.063 1.678 -15.489 57 HB3 LYS 8 HB3 LYS 8 79.979 2.797 -14.481 58 HG2 LYS 8 HG2 LYS 8 81.639 0.812 -15.921 59 HG3 LYS 8 HG3 LYS 8 80.782 1.939 -16.969 60 HD2 LYS 8 HD2 LYS 8 82.287 2.969 -14.569 61 HD3 LYS 8 HD3 LYS 8 83.148 2.600 -16.062 62 HE2 LYS 8 HE2 LYS 8 81.956 4.222 -17.295 63 HE3 LYS 8 HE3 LYS 8 80.676 4.329 -16.086 64 HZ1 LYS 8 HZ1 LYS 8 83.361 4.968 -15.175 65 HZ2 LYS 8 HZ2 LYS 8 81.878 5.707 -14.799 66 HZ3 LYS 8 HZ3 LYS 8 82.667 6.072 -16.259 67 H ILE 9 H ILE 9 80.925 2.495 -12.254 68 HA ILE 9 HA ILE 9 83.735 2.194 -12.449 69 HB ILE 9 HB ILE 9 82.052 3.420 -10.256 70 HG12 ILE 9 HG12 ILE 9 83.540 4.821 -12.486 71 HG13 ILE 9 HG13 ILE 9 81.859 4.316 -12.661 72 HG21 ILE 9 HG21 ILE 9 85.006 3.559 -10.903 73 HG22 ILE 9 HG22 ILE 9 84.261 3.000 -9.405 74 HG23 ILE 9 HG23 ILE 9 84.196 4.708 -9.839 75 HD11 ILE 9 HD11 ILE 9 81.158 5.704 -10.836 76 HD12 ILE 9 HD12 ILE 9 82.196 6.706 -11.851 77 HD13 ILE 9 HD13 ILE 9 82.824 6.019 -10.353 78 H PHE 10 H PHE 10 81.318 0.516 -10.635 79 HA PHE 10 HA PHE 10 83.145 -0.488 -8.631 80 HB2 PHE 10 HB2 PHE 10 80.994 -0.347 -7.778 81 HB3 PHE 10 HB1 PHE 10 80.250 -0.894 -9.280 82 HD1 PHE 10 HD1 PHE 10 80.215 -3.274 -9.881 83 HD2 PHE 10 HD2 PHE 10 81.900 -1.933 -6.170 84 HE1 PHE 10 HE1 PHE 10 80.213 -5.606 -9.045 85 HE2 PHE 10 HE2 PHE 10 81.899 -4.268 -5.328 86 HZ PHE 10 HZ PHE 10 81.057 -6.105 -6.771 87 H VAL 11 H VAL 11 81.344 -1.989 -11.337 88 HA VAL 11 HA VAL 11 82.349 -4.568 -11.082 89 HB VAL 11 HB VAL 11 81.827 -4.839 -13.491 90 HG11 VAL 11 HG11 VAL 11 79.711 -3.181 -12.120 91 HG12 VAL 11 HG12 VAL 11 80.093 -4.825 -11.615 92 HG13 VAL 11 HG13 VAL 11 79.480 -4.520 -13.240 93 HG21 VAL 11 HG21 VAL 11 81.279 -1.863 -13.330 94 HG22 VAL 11 HG22 VAL 11 80.927 -2.893 -14.715 95 HG23 VAL 11 HG23 VAL 11 82.598 -2.608 -14.229 96 H GLN 12 H GLN 12 83.810 -1.733 -12.518 97 HA GLN 12 HA GLN 12 86.016 -3.347 -13.585 98 HB2 GLN 12 HB2 GLN 12 86.709 -1.360 -14.729 99 HB3 GLN 12 HB1 GLN 12 84.967 -1.537 -14.938 100 HG2 GLN 12 HG2 GLN 12 84.681 0.004 -12.936 101 HG3 GLN 12 HG1 GLN 12 86.414 0.325 -13.041 102 HE21 GLN 12 HE21 GLN 12 85.668 -0.222 -16.167 103 HE22 GLN 12 HE22 GLN 12 85.253 1.344 -16.663 104 H LYS 13 H LYS 13 85.355 -1.188 -10.902 105 HA LYS 13 HA LYS 13 88.238 -0.997 -10.349 106 HB2 LYS 13 HB2 LYS 13 86.635 1.020 -10.375 107 HB3 LYS 13 HB3 LYS 13 86.117 0.443 -8.791 108 HG2 LYS 13 HG2 LYS 13 88.333 0.651 -7.898 109 HG3 LYS 13 HG3 LYS 13 89.025 0.912 -9.496 110 HD2 LYS 13 HD2 LYS 13 86.898 2.802 -8.556 111 HD3 LYS 13 HD3 LYS 13 88.519 2.966 -7.881 112 HE2 LYS 13 HE2 LYS 13 89.457 3.122 -10.156 113 HE3 LYS 13 HE3 LYS 13 87.840 2.951 -10.838 114 HZ1 LYS 13 HZ1 LYS 13 87.187 4.965 -9.642 115 HZ2 LYS 13 HZ2 LYS 13 88.457 5.263 -10.730 116 HZ3 LYS 13 HZ3 LYS 13 88.771 5.142 -9.065 117 H CYS 14 H CYS 14 85.339 -1.464 -8.257 118 HA CYS 14 HA CYS 14 87.031 -2.689 -6.254 119 HB2 CYS 14 HB2 CYS 14 84.054 -2.591 -6.049 120 HB3 CYS 14 HB1 CYS 14 85.258 -2.457 -4.774 121 H ALA 15 H ALA 15 84.551 -3.895 -8.476 122 HA ALA 15 HA ALA 15 84.022 -6.356 -7.371 123 HB1 ALA 15 HB1 ALA 15 83.971 -7.147 -9.860 124 HB2 ALA 15 HB2 ALA 15 84.283 -5.449 -10.216 125 HB3 ALA 15 HB3 ALA 15 82.835 -5.909 -9.323 126 H GLN 16 H GLN 16 86.985 -5.260 -8.824 127 HA GLN 16 HA GLN 16 88.279 -7.546 -9.580 128 HB2 GLN 16 HB2 GLN 16 89.304 -5.111 -8.139 129 HB3 GLN 16 HB1 GLN 16 90.383 -6.403 -8.664 130 HG2 GLN 16 HG2 GLN 16 89.522 -6.146 -10.982 131 HG3 GLN 16 HG1 GLN 16 88.516 -4.804 -10.440 132 HE21 GLN 16 HE21 GLN 16 91.598 -5.591 -11.680 133 HE22 GLN 16 HE22 GLN 16 92.369 -4.117 -11.338 134 H CYS 17 H CYS 17 88.517 -6.214 -6.248 135 HA CYS 17 HA CYS 17 88.921 -8.996 -5.307 136 HB2 CYS 17 HB2 CYS 17 90.092 -6.846 -3.653 137 HB3 CYS 17 HB1 CYS 17 90.758 -8.410 -4.108 138 H HIS 18 H HSD 18 86.340 -8.120 -5.358 139 HA HIS 18 HA HSD 18 85.704 -8.100 -2.529 140 HB2 HIS 18 HB2 HSD 18 85.121 -5.727 -4.286 141 HB3 HIS 18 HB1 HSD 18 84.115 -6.098 -2.887 142 HD1 HIS 18 HD1 HSD 18 86.552 -7.169 -1.097 143 HD2 HIS 18 HD2 HSD 18 86.395 -3.513 -3.091 144 HE1 HIS 18 HE1 HSD 18 88.175 -5.630 0.096 145 H THR 19 H THR 19 83.152 -7.797 -2.359 146 HA THR 19 HA THR 19 81.850 -9.288 -4.545 147 HB THR 19 HB THR 19 81.144 -9.945 -1.714 148 HG1 THR 19 HG1 THR 19 83.183 -11.370 -2.989 149 HG21 THR 19 HG21 THR 19 80.105 -10.798 -3.980 150 HG22 THR 19 HG22 THR 19 80.361 -11.922 -2.646 151 HG23 THR 19 HG23 THR 19 81.508 -11.865 -3.984 152 H VAL 20 H VAL 20 81.537 -7.272 -1.676 153 HA VAL 20 HA VAL 20 79.844 -5.930 -0.897 154 HB VAL 20 HB VAL 20 79.144 -4.240 -2.475 155 HG11 VAL 20 HG11 VAL 20 81.522 -4.314 -1.651 156 HG12 VAL 20 HG12 VAL 20 81.323 -3.485 -3.192 157 HG13 VAL 20 HG13 VAL 20 81.961 -5.128 -3.151 158 HG21 VAL 20 HG21 VAL 20 80.396 -5.907 -4.658 159 HG22 VAL 20 HG22 VAL 20 79.432 -4.445 -4.831 160 HG23 VAL 20 HG23 VAL 20 78.668 -5.947 -4.323 161 H GLU 21 H GLU 21 78.915 -8.621 -1.456 162 HA GLU 21 HA GLU 21 76.074 -7.960 -1.909 163 HB2 GLU 21 HB2 GLU 21 75.705 -9.786 -3.343 164 HB3 GLU 21 HB3 GLU 21 77.209 -9.082 -3.933 165 HG2 GLU 21 HG2 GLU 21 78.404 -10.747 -2.392 166 HG3 GLU 21 HG3 GLU 21 76.847 -11.562 -2.251 167 H LYS 22 H LYS 22 74.919 -8.500 -0.203 168 HA LYS 22 HA LYS 22 75.869 -9.793 2.061 169 HB2 LYS 22 HB2 LYS 22 73.825 -8.392 1.979 170 HB3 LYS 22 HB3 LYS 22 72.998 -9.681 1.107 171 HG2 LYS 22 HG2 LYS 22 74.328 -10.536 3.617 172 HG3 LYS 22 HG3 LYS 22 72.980 -9.422 3.836 173 HD2 LYS 22 HD2 LYS 22 71.561 -10.913 2.426 174 HD3 LYS 22 HD3 LYS 22 72.903 -12.053 2.328 175 HE2 LYS 22 HE2 LYS 22 71.738 -11.104 4.954 176 HE3 LYS 22 HE3 LYS 22 71.194 -12.566 4.132 177 HZ1 LYS 22 HZ1 LYS 22 73.026 -13.667 4.718 178 HZ2 LYS 22 HZ2 LYS 22 73.250 -12.440 5.872 179 HZ3 LYS 22 HZ3 LYS 22 74.053 -12.361 4.377 180 H GLY 23 H GLY 23 76.035 -11.859 2.724 181 HA2 GLY 23 HA2 GLY 23 75.977 -14.160 2.697 182 HA3 GLY 23 HA3 GLY 23 74.559 -14.038 1.661 183 H GLY 24 H GLY 24 77.599 -12.555 0.772 184 HA2 GLY 24 HA2 GLY 24 77.747 -14.321 -1.564 185 HA3 GLY 24 HA3 GLY 24 78.592 -12.792 -1.359 186 H LYS 25 H LYS 25 80.584 -13.681 -1.911 187 HA LYS 25 HA LYS 25 81.857 -15.243 0.240 188 HB2 LYS 25 HB2 LYS 25 82.500 -15.811 -2.649 189 HB3 LYS 25 HB3 LYS 25 82.848 -16.790 -1.226 190 HG2 LYS 25 HG2 LYS 25 81.030 -17.960 -2.028 191 HG3 LYS 25 HG3 LYS 25 80.175 -16.786 -1.031 192 HD2 LYS 25 HD2 LYS 25 80.138 -15.305 -3.160 193 HD3 LYS 25 HD3 LYS 25 80.560 -16.782 -4.025 194 HE2 LYS 25 HE2 LYS 25 78.171 -16.512 -2.181 195 HE3 LYS 25 HE3 LYS 25 78.093 -16.370 -3.936 196 HZ1 LYS 25 HZ1 LYS 25 78.103 -18.562 -4.132 197 HZ2 LYS 25 HZ2 LYS 25 77.976 -18.687 -2.443 198 HZ3 LYS 25 HZ3 LYS 25 79.503 -18.708 -3.186 199 H HIS 26 H HIS 26 83.407 -13.947 1.007 200 HA HIS 26 HA HIS 26 84.468 -11.697 -0.242 201 HB2 HIS 26 HB2 HIS 26 86.495 -12.301 1.398 202 HB3 HIS 26 HB1 HIS 26 84.957 -11.689 2.004 203 HD1 HIS 26 HD1 HIS 26 85.970 -15.198 0.880 204 HD2 HIS 26 HD2 HIS 26 84.376 -13.249 4.204 205 HE1 HIS 26 HE1 HIS 26 85.441 -16.998 2.581 206 HE2 HIS 26 HE2 HIS 26 84.470 -15.826 4.613 207 H LYS 27 H LYS 27 85.669 -11.517 -2.001 208 HA LYS 27 HA LYS 27 87.430 -13.765 -2.783 209 HB2 LYS 27 HB2 LYS 27 86.003 -11.644 -4.384 210 HB3 LYS 27 HB3 LYS 27 87.342 -12.573 -5.058 211 HG2 LYS 27 HG2 LYS 27 86.127 -14.676 -4.495 212 HG3 LYS 27 HG3 LYS 27 84.767 -13.711 -3.927 213 HD2 LYS 27 HD2 LYS 27 85.832 -13.225 -6.694 214 HD3 LYS 27 HD3 LYS 27 84.803 -14.627 -6.409 215 HE2 LYS 27 HE2 LYS 27 83.993 -11.872 -5.475 216 HE3 LYS 27 HE3 LYS 27 83.636 -12.434 -7.108 217 HZ1 LYS 27 HZ1 LYS 27 82.811 -13.751 -4.578 218 HZ2 LYS 27 HZ2 LYS 27 82.522 -14.366 -6.135 219 HZ3 LYS 27 HZ3 LYS 27 81.799 -12.908 -5.646 220 H THR 28 H THR 28 89.531 -13.457 -2.472 221 HA THR 28 HA THR 28 91.485 -12.356 -1.871 222 HB THR 28 HB THR 28 90.696 -10.736 -4.304 223 HG1 THR 28 HG1 THR 28 91.087 -13.332 -4.028 224 HG21 THR 28 HG21 THR 28 93.423 -11.232 -4.352 225 HG22 THR 28 HG22 THR 28 93.113 -10.922 -2.645 226 HG23 THR 28 HG23 THR 28 92.672 -9.717 -3.854 227 H GLY 29 H GLY 29 88.994 -11.275 -0.686 228 HA2 GLY 29 HA2 GLY 29 90.003 -9.117 0.734 229 HA3 GLY 29 HA3 GLY 29 89.103 -8.433 -0.617 230 HA PRO 30 HA PRO 30 86.305 -9.998 2.962 231 HB2 PRO 30 HB2 PRO 30 85.910 -7.652 4.331 232 HB3 PRO 30 HB1 PRO 30 87.179 -8.823 4.741 233 HG2 PRO 30 HG2 PRO 30 87.378 -6.281 3.196 234 HG3 PRO 30 HG1 PRO 30 88.487 -6.960 4.400 235 HD2 PRO 30 HD2 PRO 30 88.955 -7.133 1.715 236 HD3 PRO 30 HD1 PRO 30 89.507 -8.370 2.868 237 H ASN 31 H ASN 31 84.060 -9.044 3.478 238 HA ASN 31 HA ASN 31 82.923 -8.007 0.977 239 HB2 ASN 31 HB2 ASN 31 80.762 -8.642 1.991 240 HB3 ASN 31 HB1 ASN 31 81.885 -9.999 1.960 241 HD21 ASN 31 HD21 ASN 31 81.060 -7.276 4.197 242 HD22 ASN 31 HD22 ASN 31 81.141 -8.227 5.600 243 H LEU 32 H LEU 32 81.107 -6.404 1.225 244 HA LEU 32 HA LEU 32 81.748 -4.412 3.325 245 HB2 LEU 32 HB2 LEU 32 80.636 -3.722 0.608 246 HB3 LEU 32 HB3 LEU 32 81.347 -2.640 1.798 247 HG LEU 32 HG LEU 32 82.795 -4.757 0.181 248 HD11 LEU 32 HD11 LEU 32 82.064 -2.326 -0.670 249 HD12 LEU 32 HD12 LEU 32 83.629 -3.016 -1.096 250 HD13 LEU 32 HD13 LEU 32 83.509 -1.849 0.220 251 HD21 LEU 32 HD21 LEU 32 83.547 -3.235 2.632 252 HD22 LEU 32 HD22 LEU 32 84.768 -3.341 1.369 253 HD23 LEU 32 HD23 LEU 32 84.103 -4.809 2.074 254 H HIS 33 H HIS 33 79.822 -6.521 3.574 255 HA HIS 33 HA HIS 33 77.186 -5.673 2.977 256 HB2 HIS 33 HB2 HIS 33 78.045 -7.421 5.293 257 HB3 HIS 33 HB1 HIS 33 76.462 -7.381 4.517 258 HD1 HIS 33 HD1 HIS 33 78.583 -9.854 4.667 259 HD2 HIS 33 HD2 HIS 33 77.718 -7.468 1.360 260 HE1 HIS 33 HE1 HIS 33 79.209 -11.210 2.622 261 HE2 HIS 33 HE2 HIS 33 78.689 -9.768 0.597 262 H GLY 34 H GLY 34 75.725 -4.438 4.106 263 HA2 GLY 34 HA2 GLY 34 75.201 -2.569 5.406 264 HA3 GLY 34 HA3 GLY 34 75.541 -3.716 6.700 265 H LEU 35 H LEU 35 78.002 -2.717 4.472 266 HA LEU 35 HA LEU 35 79.990 -2.121 6.225 267 HB2 LEU 35 HB2 LEU 35 80.373 -2.206 3.843 268 HB3 LEU 35 HB3 LEU 35 79.342 -0.804 3.581 269 HG LEU 35 HG LEU 35 81.073 0.341 5.265 270 HD11 LEU 35 HD11 LEU 35 83.237 -0.550 5.250 271 HD12 LEU 35 HD12 LEU 35 82.918 -1.549 3.837 272 HD13 LEU 35 HD13 LEU 35 82.241 -1.997 5.400 273 HD21 LEU 35 HD21 LEU 35 80.578 0.943 2.865 274 HD22 LEU 35 HD22 LEU 35 81.828 -0.203 2.384 275 HD23 LEU 35 HD23 LEU 35 82.253 1.212 3.348 276 H PHE 36 H PHE 36 77.847 0.328 4.792 277 HA PHE 36 HA PHE 36 78.737 2.514 6.260 278 HB2 PHE 36 HB2 PHE 36 75.880 2.093 5.368 279 HB3 PHE 36 HB1 PHE 36 76.724 3.625 5.592 280 HD1 PHE 36 HD2 PHE 36 76.637 0.518 3.534 281 HD2 PHE 36 HD1 PHE 36 78.104 4.545 3.867 282 HE1 PHE 36 HE2 PHE 36 77.454 0.417 1.199 283 HE2 PHE 36 HE1 PHE 36 78.912 4.443 1.533 284 HZ PHE 36 HZ PHE 36 78.589 2.380 0.194 285 H GLY 37 H GLY 37 79.081 1.965 8.452 286 HA2 GLY 37 HA2 GLY 37 77.562 2.747 10.417 287 HA3 GLY 37 HA3 GLY 37 76.686 1.278 10.025 288 H ARG 38 H ARG 38 79.402 -0.020 9.356 289 HA ARG 38 HA ARG 38 79.895 -0.885 12.112 290 HB2 ARG 38 HB2 ARG 38 80.237 -2.057 9.434 291 HB3 ARG 38 HB3 ARG 38 81.540 -2.428 10.561 292 HG2 ARG 38 HG2 ARG 38 79.746 -3.098 12.238 293 HG3 ARG 38 HG3 ARG 38 78.584 -2.980 10.916 294 HD2 ARG 38 HD2 ARG 38 81.061 -4.599 10.469 295 HD3 ARG 38 HD3 ARG 38 79.800 -5.283 11.487 296 HE ARG 38 HE ARG 38 78.338 -4.584 9.393 297 HH11 ARG 38 HH21 ARG 38 81.508 -6.003 9.499 298 HH12 ARG 38 HH22 ARG 38 81.325 -6.836 7.993 299 HH21 ARG 38 HH11 ARG 38 78.104 -5.695 7.433 300 HH22 ARG 38 HH12 ARG 38 79.405 -6.669 6.831 301 H LYS 39 H LYS 39 81.963 -1.077 13.023 302 HA LYS 39 HA LYS 39 83.688 1.167 12.533 303 HB2 LYS 39 HB2 LYS 39 83.147 0.208 14.795 304 HB3 LYS 39 HB3 LYS 39 84.146 -1.181 14.377 305 HG2 LYS 39 HG2 LYS 39 85.685 0.162 15.497 306 HG3 LYS 39 HG3 LYS 39 85.964 0.649 13.830 307 HD2 LYS 39 HD2 LYS 39 85.754 2.725 14.861 308 HD3 LYS 39 HD3 LYS 39 84.090 2.442 14.359 309 HE2 LYS 39 HE2 LYS 39 83.853 1.292 16.705 310 HE3 LYS 39 HE3 LYS 39 85.298 2.220 17.103 311 HZ1 LYS 39 HZ1 LYS 39 83.825 4.088 15.925 312 HZ2 LYS 39 HZ2 LYS 39 83.789 3.791 17.597 313 HZ3 LYS 39 HZ3 LYS 39 82.591 3.133 16.589 314 H THR 40 H THR 40 85.888 1.121 11.950 315 HA THR 40 HA THR 40 86.625 -0.365 9.762 316 HB THR 40 HB THR 40 89.001 0.249 10.406 317 HG1 THR 40 HG1 THR 40 87.915 1.878 12.371 318 HG21 THR 40 HG21 THR 40 87.518 1.687 9.022 319 HG22 THR 40 HG22 THR 40 88.619 2.631 10.024 320 HG23 THR 40 HG23 THR 40 86.928 2.457 10.494 321 H GLY 41 H GLY 41 87.826 -2.175 9.346 322 HA2 GLY 41 HA2 GLY 41 88.431 -4.372 9.655 323 HA3 GLY 41 HA3 GLY 41 89.333 -3.736 11.028 324 H GLN 42 H GLN 42 85.856 -4.174 10.368 325 HA GLN 42 HA GLN 42 85.667 -5.659 12.929 326 HB2 GLN 42 HB2 GLN 42 84.486 -3.557 13.086 327 HB3 GLN 42 HB1 GLN 42 83.626 -3.882 11.581 328 HG2 GLN 42 HG2 GLN 42 82.321 -5.579 12.539 329 HG3 GLN 42 HG1 GLN 42 83.452 -5.834 13.866 330 HE21 GLN 42 HE21 GLN 42 82.844 -2.505 13.173 331 HE22 GLN 42 HE22 GLN 42 81.757 -2.219 14.445 332 H ALA 43 H ALA 43 85.109 -5.770 9.527 333 HA ALA 43 HA ALA 43 83.050 -7.705 9.468 334 HB1 ALA 43 HB1 ALA 43 84.893 -7.966 7.243 335 HB2 ALA 43 HB2 ALA 43 84.546 -6.272 7.585 336 HB3 ALA 43 HB3 ALA 43 83.227 -7.392 7.252 337 HA PRO 44 HA PRO 44 85.639 -11.113 10.843 338 HB2 PRO 44 HB2 PRO 44 83.723 -13.020 10.967 339 HB3 PRO 44 HB1 PRO 44 83.810 -11.698 12.150 340 HG2 PRO 44 HG2 PRO 44 82.022 -12.004 9.784 341 HG3 PRO 44 HG1 PRO 44 81.653 -11.390 11.406 342 HD2 PRO 44 HD2 PRO 44 82.137 -9.767 9.217 343 HD3 PRO 44 HD1 PRO 44 82.378 -9.262 10.906 344 H GLY 45 H GLY 45 87.024 -11.932 9.357 345 HA2 GLY 45 HA2 GLY 45 86.612 -14.109 7.776 346 HA3 GLY 45 HA3 GLY 45 86.157 -12.767 6.732 347 H PHE 46 H PHE 46 87.758 -11.152 6.236 348 HA PHE 46 HA PHE 46 90.340 -12.269 5.738 349 HB2 PHE 46 HB2 PHE 46 89.163 -10.572 4.290 350 HB3 PHE 46 HB1 PHE 46 89.531 -9.364 5.522 351 HD1 PHE 46 HD2 PHE 46 91.162 -11.975 3.389 352 HD2 PHE 46 HD1 PHE 46 91.606 -8.260 5.498 353 HE1 PHE 46 HE2 PHE 46 93.440 -11.713 2.446 354 HE2 PHE 46 HE1 PHE 46 93.885 -7.997 4.555 355 HZ PHE 46 HZ PHE 46 94.802 -9.724 3.029 356 H THR 47 H THR 47 92.364 -11.555 6.533 357 HA THR 47 HA THR 47 92.346 -10.925 9.351 358 HB THR 47 HB THR 47 94.765 -11.074 7.554 359 HG1 THR 47 HG1 THR 47 94.600 -13.187 7.569 360 HG21 THR 47 HG21 THR 47 95.837 -11.842 9.644 361 HG22 THR 47 HG22 THR 47 94.300 -11.664 10.490 362 HG23 THR 47 HG23 THR 47 95.119 -10.243 9.840 363 H TYR 48 H TYR 48 91.405 -8.820 9.322 364 HA TYR 48 HA TYR 48 92.335 -6.624 7.866 365 HB2 TYR 48 HB2 TYR 48 90.861 -6.957 10.447 366 HB3 TYR 48 HB3 TYR 48 91.447 -5.355 10.010 367 HD1 TYR 48 HD2 TYR 48 90.798 -4.358 7.800 368 HD2 TYR 48 HD1 TYR 48 88.969 -7.916 9.354 369 HE1 TYR 48 HE2 TYR 48 88.905 -4.065 6.233 370 HE2 TYR 48 HE1 TYR 48 87.073 -7.626 7.785 371 HH TYR 48 HH TYR 48 86.438 -4.788 6.186 372 H THR 49 H THR 49 93.728 -4.926 8.378 373 HA THR 49 HA THR 49 96.101 -5.749 9.827 374 HB THR 49 HB THR 49 97.050 -3.640 9.004 375 HG1 THR 49 HG1 THR 49 94.542 -2.902 8.999 376 HG21 THR 49 HG21 THR 49 96.419 -4.048 6.487 377 HG22 THR 49 HG22 THR 49 95.542 -5.437 7.125 378 HG23 THR 49 HG23 THR 49 97.282 -5.300 7.379 379 H ASP 50 H ASP 50 97.073 -4.514 11.533 380 HA ASP 50 HA ASP 50 95.504 -3.988 13.720 381 HB2 ASP 50 HB2 ASP 50 97.998 -2.392 13.168 382 HB3 ASP 50 HB1 ASP 50 97.383 -2.962 14.718 383 H ALA 51 H ALA 51 96.439 -1.730 11.160 384 HA ALA 51 HA ALA 51 95.490 0.641 12.290 385 HB1 ALA 51 HB1 ALA 51 96.811 0.523 10.201 386 HB2 ALA 51 HB2 ALA 51 95.346 1.486 10.009 387 HB3 ALA 51 HB3 ALA 51 95.410 -0.157 9.373 388 H ASN 52 H ASN 52 93.774 -1.530 10.027 389 HA ASN 52 HA ASN 52 91.278 -0.197 10.279 390 HB2 ASN 52 HB2 ASN 52 92.227 -2.791 9.144 391 HB3 ASN 52 HB1 ASN 52 90.503 -2.617 9.452 392 HD21 ASN 52 HD21 ASN 52 90.165 -2.642 7.076 393 HD22 ASN 52 HD22 ASN 52 90.476 -1.240 6.167 394 H LYS 53 H LYS 53 92.895 -2.635 12.139 395 HA LYS 53 HA LYS 53 90.514 -3.409 13.612 396 HB2 LYS 53 HB2 LYS 53 91.844 -5.263 13.595 397 HB3 LYS 53 HB3 LYS 53 93.315 -4.325 13.377 398 HG2 LYS 53 HG2 LYS 53 93.366 -3.758 15.745 399 HG3 LYS 53 HG3 LYS 53 91.806 -4.546 15.997 400 HD2 LYS 53 HD2 LYS 53 92.897 -6.681 15.124 401 HD3 LYS 53 HD3 LYS 53 94.440 -5.838 15.267 402 HE2 LYS 53 HE2 LYS 53 93.827 -5.355 17.684 403 HE3 LYS 53 HE3 LYS 53 92.474 -6.468 17.481 404 HZ1 LYS 53 HZ1 LYS 53 93.842 -8.257 17.322 405 HZ2 LYS 53 HZ2 LYS 53 94.804 -7.284 18.330 406 HZ3 LYS 53 HZ3 LYS 53 95.132 -7.374 16.665 407 H ASN 54 H ASN 54 92.774 -0.922 13.645 408 HA ASN 54 HA ASN 54 93.077 -0.452 16.423 409 HB2 ASN 54 HB2 ASN 54 94.153 1.462 15.790 410 HB3 ASN 54 HB1 ASN 54 94.218 0.612 14.254 411 HD21 ASN 54 HD21 ASN 54 91.463 0.987 13.465 412 HD22 ASN 54 HD22 ASN 54 91.225 2.642 13.177 413 H LYS 55 H LYS 55 90.483 -0.052 14.255 414 HA LYS 55 HA LYS 55 88.359 0.829 14.472 415 HB2 LYS 55 HB2 LYS 55 89.051 0.391 17.384 416 HB3 LYS 55 HB3 LYS 55 87.445 0.839 16.814 417 HG2 LYS 55 HG2 LYS 55 87.556 -1.198 15.285 418 HG3 LYS 55 HG3 LYS 55 88.992 -1.683 16.185 419 HD2 LYS 55 HD2 LYS 55 87.581 -1.456 18.301 420 HD3 LYS 55 HD3 LYS 55 86.178 -1.336 17.237 421 HE2 LYS 55 HE2 LYS 55 86.342 -3.646 17.795 422 HE3 LYS 55 HE3 LYS 55 86.998 -3.515 16.163 423 HZ1 LYS 55 HZ1 LYS 55 89.209 -3.136 17.494 424 HZ2 LYS 55 HZ2 LYS 55 88.640 -4.703 17.164 425 HZ3 LYS 55 HZ3 LYS 55 88.385 -4.008 18.693 426 H GLY 56 H GLY 56 89.717 2.813 13.696 427 HA2 GLY 56 HA2 GLY 56 89.837 4.954 15.690 428 HA3 GLY 56 HA3 GLY 56 90.449 5.029 14.042 429 H ILE 57 H ILE 57 88.017 4.054 12.799 430 HA ILE 57 HA ILE 57 86.003 6.070 13.498 431 HB ILE 57 HB ILE 57 85.876 6.924 11.222 432 HG12 ILE 57 HG12 ILE 57 88.127 6.192 9.869 433 HG13 ILE 57 HG13 ILE 57 87.802 4.697 10.743 434 HG21 ILE 57 HG21 ILE 57 88.751 6.990 12.174 435 HG22 ILE 57 HG22 ILE 57 87.454 7.936 12.904 436 HG23 ILE 57 HG23 ILE 57 87.915 8.220 11.226 437 HD11 ILE 57 HD11 ILE 57 85.619 4.497 9.767 438 HD12 ILE 57 HD12 ILE 57 86.713 4.895 8.447 439 HD13 ILE 57 HD13 ILE 57 85.677 6.143 9.136 440 H THR 58 H THR 58 84.171 5.837 11.683 441 HA THR 58 HA THR 58 83.657 2.944 11.342 442 HB THR 58 HB THR 58 81.870 5.137 12.354 443 HG1 THR 58 HG1 THR 58 82.786 3.861 13.898 444 HG21 THR 58 HG21 THR 58 80.050 3.269 12.062 445 HG22 THR 58 HG22 THR 58 81.110 2.696 10.776 446 HG23 THR 58 HG23 THR 58 80.436 4.322 10.701 447 H TRP 59 H TRP 59 82.806 2.278 9.424 448 HA TRP 59 HA TRP 59 83.189 3.893 7.136 449 HB2 TRP 59 HB2 TRP 59 81.362 1.499 7.211 450 HB3 TRP 59 HB1 TRP 59 82.363 2.081 5.880 451 HD1 TRP 59 HD1 TRP 59 85.104 2.429 7.292 452 HE1 TRP 59 HE1 TRP 59 86.429 0.373 8.113 453 HE3 TRP 59 HE3 TRP 59 81.332 -0.990 7.649 454 HZ2 TRP 59 HZ2 TRP 59 85.943 -2.346 8.859 455 HZ3 TRP 59 HZ3 TRP 59 81.791 -3.301 8.408 456 HH2 TRP 59 HH2 TRP 59 84.091 -3.981 9.014 457 H LYS 60 H LYS 60 81.845 5.135 5.964 458 HA LYS 60 HA LYS 60 78.976 5.131 6.406 459 HB2 LYS 60 HB2 LYS 60 80.696 7.518 7.129 460 HB3 LYS 60 HB3 LYS 60 78.950 7.597 6.904 461 HG2 LYS 60 HG2 LYS 60 78.825 5.684 8.636 462 HG3 LYS 60 HG3 LYS 60 80.495 6.098 9.020 463 HD2 LYS 60 HD2 LYS 60 78.250 8.132 9.015 464 HD3 LYS 60 HD3 LYS 60 78.743 7.246 10.456 465 HE2 LYS 60 HE2 LYS 60 81.085 8.099 10.089 466 HE3 LYS 60 HE3 LYS 60 80.449 9.121 8.799 467 HZ1 LYS 60 HZ1 LYS 60 78.806 9.913 10.565 468 HZ2 LYS 60 HZ2 LYS 60 80.406 10.477 10.662 469 HZ3 LYS 60 HZ3 LYS 60 79.877 9.233 11.692 470 H GLU 61 H GLU 61 78.412 7.575 5.151 471 HA GLU 61 HA GLU 61 78.977 6.866 2.420 472 HB2 GLU 61 HB2 GLU 61 76.805 7.787 2.973 473 HB3 GLU 61 HB3 GLU 61 77.549 9.244 3.631 474 HG2 GLU 61 HG2 GLU 61 78.282 9.968 1.493 475 HG3 GLU 61 HG3 GLU 61 78.007 8.383 0.773 476 H GLU 62 H GLU 62 79.609 9.837 4.314 477 HA GLU 62 HA GLU 62 81.388 10.922 2.373 478 HB2 GLU 62 HB2 GLU 62 81.320 11.630 5.311 479 HB3 GLU 62 HB3 GLU 62 81.820 12.649 3.963 480 HG2 GLU 62 HG2 GLU 62 79.666 13.441 4.262 481 HG3 GLU 62 HG3 GLU 62 79.346 12.145 3.112 482 H THR 63 H THR 63 81.867 9.062 5.349 483 HA THR 63 HA THR 63 84.653 9.279 5.538 484 HB THR 63 HB THR 63 84.559 7.189 6.815 485 HG1 THR 63 HG1 THR 63 82.466 6.773 5.220 486 HG21 THR 63 HG21 THR 63 83.887 9.087 8.064 487 HG22 THR 63 HG22 THR 63 82.651 7.869 8.377 488 HG23 THR 63 HG23 THR 63 82.333 9.177 7.238 489 H LEU 64 H LEU 64 82.601 7.181 3.596 490 HA LEU 64 HA LEU 64 84.691 5.508 2.633 491 HB2 LEU 64 HB2 LEU 64 81.843 5.846 2.159 492 HB3 LEU 64 HB3 LEU 64 82.711 5.558 0.660 493 HG LEU 64 HG LEU 64 83.028 3.842 3.135 494 HD11 LEU 64 HD11 LEU 64 81.039 3.803 0.926 495 HD12 LEU 64 HD12 LEU 64 80.914 3.177 2.567 496 HD13 LEU 64 HD13 LEU 64 81.764 2.248 1.333 497 HD21 LEU 64 HD21 LEU 64 84.924 3.376 1.893 498 HD22 LEU 64 HD22 LEU 64 84.177 3.850 0.369 499 HD23 LEU 64 HD23 LEU 64 83.800 2.285 1.085 500 H MET 65 H MET 65 83.335 8.591 1.596 501 HA MET 65 HA MET 65 84.455 8.714 -0.979 502 HB2 MET 65 HB2 MET 65 83.923 10.966 0.970 503 HB3 MET 65 HB1 MET 65 84.266 11.171 -0.747 504 HG2 MET 65 HG2 MET 65 82.278 9.947 -1.361 505 HG3 MET 65 HG1 MET 65 81.980 9.500 0.317 506 HE1 MET 65 HE1 MET 65 80.379 11.397 -2.197 507 HE2 MET 65 HE2 MET 65 81.990 12.082 -2.399 508 HE3 MET 65 HE3 MET 65 80.651 13.123 -1.921 509 H GLU 66 H GLU 66 85.739 10.130 2.043 510 HA GLU 66 HA GLU 66 88.202 10.956 0.980 511 HB2 GLU 66 HB2 GLU 66 87.447 10.126 3.791 512 HB3 GLU 66 HB3 GLU 66 88.988 10.872 3.365 513 HG2 GLU 66 HG2 GLU 66 86.320 12.129 2.692 514 HG3 GLU 66 HG3 GLU 66 87.188 12.475 4.187 515 H TYR 67 H TYR 67 87.063 7.866 2.115 516 HA TYR 67 HA TYR 67 89.666 6.617 2.179 517 HB2 TYR 67 HB2 TYR 67 87.931 5.759 3.629 518 HB3 TYR 67 HB3 TYR 67 86.853 5.513 2.259 519 HD1 TYR 67 HD1 TYR 67 89.857 4.282 4.000 520 HD2 TYR 67 HD2 TYR 67 87.169 3.666 0.706 521 HE1 TYR 67 HE1 TYR 67 90.784 2.005 3.670 522 HE2 TYR 67 HE2 TYR 67 88.098 1.391 0.375 523 HH TYR 67 HH TYR 67 90.667 0.328 1.112 524 H LEU 68 H LEU 68 87.121 7.126 -0.128 525 HA LEU 68 HA LEU 68 88.041 5.145 -2.010 526 HB2 LEU 68 HB2 LEU 68 85.860 7.156 -1.859 527 HB3 LEU 68 HB3 LEU 68 86.398 6.719 -3.474 528 HG LEU 68 HG LEU 68 85.615 4.701 -1.353 529 HD11 LEU 68 HD11 LEU 68 83.601 5.794 -1.841 530 HD12 LEU 68 HD12 LEU 68 83.599 4.444 -2.972 531 HD13 LEU 68 HD13 LEU 68 84.033 6.062 -3.528 532 HD21 LEU 68 HD21 LEU 68 85.294 3.434 -3.685 533 HD22 LEU 68 HD22 LEU 68 86.844 3.460 -2.853 534 HD23 LEU 68 HD23 LEU 68 86.544 4.566 -4.189 535 H GLU 69 H GLU 69 88.758 8.454 -1.305 536 HA GLU 69 HA GLU 69 90.028 8.882 -3.914 537 HB2 GLU 69 HB2 GLU 69 89.982 11.137 -3.445 538 HB3 GLU 69 HB3 GLU 69 88.624 10.607 -2.455 539 HG2 GLU 69 HG2 GLU 69 90.371 10.305 -0.572 540 HG3 GLU 69 HG3 GLU 69 91.427 11.292 -1.579 541 H ASN 70 H ASN 70 90.782 7.641 -0.903 542 HA ASN 70 HA ASN 70 93.523 7.265 -1.518 543 HB2 ASN 70 HB2 ASN 70 93.224 9.791 -0.720 544 HB3 ASN 70 HB1 ASN 70 93.284 9.044 0.872 545 HD21 ASN 70 HD21 ASN 70 95.139 6.947 0.384 546 HD22 ASN 70 HD22 ASN 70 96.643 7.626 -0.012 547 HA PRO 71 HA PRO 71 91.240 4.417 1.448 548 HB2 PRO 71 HB2 PRO 71 93.000 2.566 -0.103 549 HB3 PRO 71 HB1 PRO 71 91.303 2.374 0.373 550 HG2 PRO 71 HG2 PRO 71 92.002 2.987 -2.130 551 HG3 PRO 71 HG1 PRO 71 90.527 3.626 -1.385 552 HD2 PRO 71 HD2 PRO 71 93.091 5.022 -1.981 553 HD3 PRO 71 HD1 PRO 71 91.442 5.678 -1.896 554 H LYS 72 H LYS 72 94.651 4.615 0.501 555 HA LYS 72 HA LYS 72 95.595 3.255 2.854 556 HB2 LYS 72 HB2 LYS 72 96.799 3.200 0.691 557 HB3 LYS 72 HB3 LYS 72 97.111 4.923 0.842 558 HG2 LYS 72 HG2 LYS 72 99.083 3.896 1.665 559 HG3 LYS 72 HG3 LYS 72 98.198 4.378 3.107 560 HD2 LYS 72 HD2 LYS 72 99.096 2.073 3.303 561 HD3 LYS 72 HD3 LYS 72 97.339 2.092 3.378 562 HE2 LYS 72 HE2 LYS 72 98.561 1.762 0.677 563 HE3 LYS 72 HE3 LYS 72 98.686 0.396 1.783 564 HZ1 LYS 72 HZ1 LYS 72 96.527 1.008 0.253 565 HZ2 LYS 72 HZ2 LYS 72 96.083 1.586 1.788 566 HZ3 LYS 72 HZ3 LYS 72 96.532 -0.041 1.586 567 H LYS 73 H LYS 73 95.675 6.647 1.744 568 HA LYS 73 HA LYS 73 97.030 7.641 3.991 569 HB2 LYS 73 HB2 LYS 73 96.699 8.831 1.797 570 HB3 LYS 73 HB3 LYS 73 95.053 9.189 2.310 571 HG2 LYS 73 HG2 LYS 73 97.394 9.877 4.085 572 HG3 LYS 73 HG3 LYS 73 96.932 10.948 2.766 573 HD2 LYS 73 HD2 LYS 73 94.510 10.326 4.085 574 HD3 LYS 73 HD3 LYS 73 95.680 10.615 5.370 575 HE2 LYS 73 HE2 LYS 73 95.149 12.482 3.041 576 HE3 LYS 73 HE3 LYS 73 94.554 12.707 4.686 577 HZ1 LYS 73 HZ1 LYS 73 97.385 12.656 3.797 578 HZ2 LYS 73 HZ2 LYS 73 96.904 12.665 5.426 579 HZ3 LYS 73 HZ3 LYS 73 96.531 13.982 4.421 580 H TYR 74 H TYR 74 93.623 6.968 3.457 581 HA TYR 74 HA TYR 74 92.615 8.467 5.643 582 HB2 TYR 74 HB2 TYR 74 91.418 7.201 3.617 583 HB3 TYR 74 HB3 TYR 74 91.258 5.934 4.831 584 HD1 TYR 74 HD1 TYR 74 90.936 9.683 4.679 585 HD2 TYR 74 HD2 TYR 74 89.278 5.966 6.060 586 HE1 TYR 74 HE1 TYR 74 89.042 10.907 5.708 587 HE2 TYR 74 HE2 TYR 74 87.386 7.193 7.087 588 HH TYR 74 HH TYR 74 86.711 9.289 7.771 589 H ILE 75 H ILE 75 93.218 4.957 5.361 590 HA ILE 75 HA ILE 75 93.756 4.905 8.272 591 HB ILE 75 HB ILE 75 92.345 2.729 6.709 592 HG12 ILE 75 HG12 ILE 75 91.117 4.559 8.782 593 HG13 ILE 75 HG13 ILE 75 91.075 4.948 7.063 594 HG21 ILE 75 HG21 ILE 75 91.822 1.973 9.088 595 HG22 ILE 75 HG22 ILE 75 93.021 3.147 9.632 596 HG23 ILE 75 HG23 ILE 75 93.507 1.806 8.594 597 HD11 ILE 75 HD11 ILE 75 89.847 2.951 6.551 598 HD12 ILE 75 HD12 ILE 75 89.041 3.700 7.929 599 HD13 ILE 75 HD13 ILE 75 90.098 2.309 8.174 600 HA PRO 76 HA PRO 76 97.447 3.597 5.634 601 HB2 PRO 76 HB2 PRO 76 98.528 4.324 8.340 602 HB3 PRO 76 HB1 PRO 76 99.225 4.619 6.735 603 HG2 PRO 76 HG2 PRO 76 97.984 6.553 8.085 604 HG3 PRO 76 HG1 PRO 76 97.859 6.421 6.322 605 HD2 PRO 76 HD2 PRO 76 95.801 5.860 8.387 606 HD3 PRO 76 HD1 PRO 76 95.593 6.286 6.675 607 H GLY 77 H GLY 77 98.659 1.687 5.794 608 HA2 GLY 77 HA2 GLY 77 99.430 -0.298 6.807 609 HA3 GLY 77 HA3 GLY 77 98.338 -0.012 8.160 610 H THR 78 H THR 78 96.088 0.573 6.296 611 HA THR 78 HA THR 78 94.865 -1.931 6.229 612 HB THR 78 HB THR 78 93.689 0.262 6.045 613 HG1 THR 78 HG1 THR 78 93.255 -1.718 4.070 614 HG21 THR 78 HG21 THR 78 95.327 1.152 4.331 615 HG22 THR 78 HG22 THR 78 93.626 1.425 3.954 616 HG23 THR 78 HG23 THR 78 94.513 0.136 3.141 617 H LYS 79 H LYS 79 94.567 -3.487 4.642 618 HA LYS 79 HA LYS 79 96.665 -3.562 2.606 619 HB2 LYS 79 HB2 LYS 79 94.914 -5.534 3.957 620 HB3 LYS 79 HB3 LYS 79 95.300 -5.894 2.276 621 HG2 LYS 79 HG2 LYS 79 97.499 -5.068 4.160 622 HG3 LYS 79 HG3 LYS 79 96.908 -6.729 4.182 623 HD2 LYS 79 HD2 LYS 79 97.338 -6.903 1.745 624 HD3 LYS 79 HD3 LYS 79 97.981 -5.261 1.754 625 HE2 LYS 79 HE2 LYS 79 99.797 -5.890 3.193 626 HE3 LYS 79 HE3 LYS 79 99.079 -7.469 3.508 627 HZ1 LYS 79 HZ1 LYS 79 99.227 -7.564 0.877 628 HZ2 LYS 79 HZ2 LYS 79 100.505 -8.063 1.880 629 HZ3 LYS 79 HZ3 LYS 79 100.533 -6.521 1.168 630 H MET 80 H MET 80 95.979 -2.061 1.072 631 HA MET 80 HA MET 80 94.331 -3.027 -0.991 632 HB2 MET 80 HB2 MET 80 92.429 -2.573 0.429 633 HB3 MET 80 HB1 MET 80 93.031 -0.955 0.794 634 HG2 MET 80 HG2 MET 80 92.654 -0.197 -1.428 635 HG3 MET 80 HG1 MET 80 92.453 -1.838 -2.038 636 HE1 MET 80 HE1 MET 80 90.792 1.052 -1.956 637 HE2 MET 80 HE2 MET 80 89.104 0.556 -1.980 638 HE3 MET 80 HE3 MET 80 90.246 -0.176 -3.105 639 H ILE 81 H ILE 81 95.992 -2.353 -2.296 640 HA ILE 81 HA ILE 81 96.524 0.556 -2.422 641 HB ILE 81 HB ILE 81 98.207 -1.835 -3.193 642 HG12 ILE 81 HG12 ILE 81 99.830 -0.667 -1.662 643 HG13 ILE 81 HG13 ILE 81 98.560 0.492 -1.277 644 HG21 ILE 81 HG21 ILE 81 99.880 0.006 -3.862 645 HG22 ILE 81 HG22 ILE 81 98.484 1.083 -3.927 646 HG23 ILE 81 HG23 ILE 81 98.564 -0.323 -4.989 647 HD11 ILE 81 HD11 ILE 81 97.416 -0.996 0.028 648 HD12 ILE 81 HD12 ILE 81 98.991 -1.774 0.154 649 HD13 ILE 81 HD13 ILE 81 97.806 -2.369 -1.007 650 H PHE 82 H PHE 82 94.973 1.265 -3.833 651 HA PHE 82 HA PHE 82 95.224 0.324 -6.603 652 HB2 PHE 82 HB2 PHE 82 93.223 -0.735 -5.197 653 HB3 PHE 82 HB1 PHE 82 92.451 0.800 -5.592 654 HD1 PHE 82 HD2 PHE 82 94.064 -2.220 -7.035 655 HD2 PHE 82 HD1 PHE 82 91.718 1.292 -7.822 656 HE1 PHE 82 HE2 PHE 82 93.583 -3.053 -9.320 657 HE2 PHE 82 HE1 PHE 82 91.238 0.458 -10.108 658 HZ PHE 82 HZ PHE 82 92.170 -1.715 -10.856 659 H ALA 83 H ALA 83 94.265 1.831 -8.152 660 HA ALA 83 HA ALA 83 94.981 4.502 -7.638 661 HB1 ALA 83 HB1 ALA 83 94.842 3.450 -9.901 662 HB2 ALA 83 HB2 ALA 83 94.015 5.005 -9.799 663 HB3 ALA 83 HB3 ALA 83 93.084 3.507 -9.775 664 H GLY 84 H GLY 84 94.001 5.762 -6.185 665 HA2 GLY 84 HA2 GLY 84 91.390 5.470 -5.199 666 HA3 GLY 84 HA3 GLY 84 92.358 6.936 -5.082 667 H ILE 85 H ILE 85 89.761 7.371 -5.357 668 HA ILE 85 HA ILE 85 88.985 7.577 -8.148 669 HB ILE 85 HB ILE 85 87.682 8.519 -5.589 670 HG12 ILE 85 HG12 ILE 85 87.934 5.978 -6.343 671 HG13 ILE 85 HG13 ILE 85 86.420 6.566 -5.668 672 HG21 ILE 85 HG21 ILE 85 85.656 8.702 -7.186 673 HG22 ILE 85 HG22 ILE 85 86.853 8.744 -8.479 674 HG23 ILE 85 HG23 ILE 85 86.855 9.994 -7.235 675 HD11 ILE 85 HD11 ILE 85 86.331 5.189 -7.870 676 HD12 ILE 85 HD12 ILE 85 86.900 6.670 -8.639 677 HD13 ILE 85 HD13 ILE 85 85.368 6.662 -7.764 678 H LYS 86 H LYS 86 88.394 9.646 -9.137 679 HA LYS 86 HA LYS 86 90.269 11.772 -8.319 680 HB2 LYS 86 HB2 LYS 86 88.924 11.210 -10.969 681 HB3 LYS 86 HB3 LYS 86 89.950 12.606 -10.649 682 HG2 LYS 86 HG2 LYS 86 91.687 11.294 -11.294 683 HG3 LYS 86 HG3 LYS 86 91.504 10.488 -9.739 684 HD2 LYS 86 HD2 LYS 86 91.407 8.702 -11.258 685 HD3 LYS 86 HD3 LYS 86 89.704 9.044 -10.959 686 HE2 LYS 86 HE2 LYS 86 89.549 10.338 -13.012 687 HE3 LYS 86 HE3 LYS 86 91.285 10.191 -13.280 688 HZ1 LYS 86 HZ1 LYS 86 90.761 7.667 -13.142 689 HZ2 LYS 86 HZ2 LYS 86 90.477 8.515 -14.587 690 HZ3 LYS 86 HZ3 LYS 86 89.186 8.155 -13.542 691 H LYS 87 H LYS 87 87.120 11.733 -10.032 692 HA LYS 87 HA LYS 87 86.478 14.333 -8.943 693 HB2 LYS 87 HB2 LYS 87 84.495 12.617 -10.397 694 HB3 LYS 87 HB3 LYS 87 84.704 14.368 -10.443 695 HG2 LYS 87 HG2 LYS 87 87.012 13.870 -11.500 696 HG3 LYS 87 HG3 LYS 87 86.385 12.244 -11.775 697 HD2 LYS 87 HD2 LYS 87 84.350 13.413 -12.853 698 HD3 LYS 87 HD3 LYS 87 85.362 14.858 -12.887 699 HE2 LYS 87 HE2 LYS 87 85.993 12.187 -14.175 700 HE3 LYS 87 HE3 LYS 87 85.585 13.685 -15.011 701 HZ1 LYS 87 HZ1 LYS 87 87.784 13.987 -15.061 702 HZ2 LYS 87 HZ2 LYS 87 88.081 12.854 -13.831 703 HZ3 LYS 87 HZ3 LYS 87 87.628 14.443 -13.436 704 H LYS 88 H LYS 88 84.419 14.779 -7.866 705 HA LYS 88 HA LYS 88 84.088 13.124 -5.560 706 HB2 LYS 88 HB2 LYS 88 83.765 15.640 -5.657 707 HB3 LYS 88 HB3 LYS 88 82.234 15.327 -6.475 708 HG2 LYS 88 HG2 LYS 88 81.789 13.710 -4.449 709 HG3 LYS 88 HG3 LYS 88 83.040 14.663 -3.651 710 HD2 LYS 88 HD2 LYS 88 81.171 15.903 -3.066 711 HD3 LYS 88 HD3 LYS 88 81.595 16.702 -4.580 712 HE2 LYS 88 HE2 LYS 88 80.028 15.095 -5.754 713 HE3 LYS 88 HE3 LYS 88 79.494 14.560 -4.161 714 HZ1 LYS 88 HZ1 LYS 88 78.255 16.471 -5.383 715 HZ2 LYS 88 HZ2 LYS 88 79.516 17.432 -4.773 716 HZ3 LYS 88 HZ3 LYS 88 78.515 16.563 -3.710 717 H THR 89 H THR 89 82.007 13.872 -8.361 718 HA THR 89 HA THR 89 79.812 12.310 -7.661 719 HB THR 89 HB THR 89 79.366 12.160 -10.108 720 HG1 THR 89 HG1 THR 89 81.895 12.308 -10.324 721 HG21 THR 89 HG21 THR 89 79.016 14.526 -10.401 722 HG22 THR 89 HG22 THR 89 80.302 14.910 -9.256 723 HG23 THR 89 HG23 THR 89 78.805 14.171 -8.686 724 H GLU 90 H GLU 90 82.949 11.357 -8.844 725 HA GLU 90 HA GLU 90 82.230 8.738 -9.710 726 HB2 GLU 90 HB2 GLU 90 84.828 10.026 -8.890 727 HB3 GLU 90 HB3 GLU 90 84.739 8.304 -9.252 728 HG2 GLU 90 HG2 GLU 90 83.847 8.795 -11.478 729 HG3 GLU 90 HG3 GLU 90 83.871 10.521 -11.123 730 H ARG 91 H ARG 91 83.314 10.132 -6.654 731 HA ARG 91 HA ARG 91 83.392 7.622 -5.252 732 HB2 ARG 91 HB2 ARG 91 83.314 10.477 -4.229 733 HB3 ARG 91 HB3 ARG 91 83.626 9.054 -3.238 734 HG2 ARG 91 HG2 ARG 91 85.528 8.533 -4.885 735 HG3 ARG 91 HG3 ARG 91 85.324 10.185 -5.461 736 HD2 ARG 91 HD2 ARG 91 85.403 10.308 -2.615 737 HD3 ARG 91 HD3 ARG 91 86.729 9.269 -3.124 738 HE ARG 91 HE ARG 91 87.733 11.109 -4.155 739 HH11 ARG 91 HH21 ARG 91 84.491 11.820 -3.146 740 HH12 ARG 91 HH22 ARG 91 84.643 13.524 -3.408 741 HH21 ARG 91 HH11 ARG 91 87.927 13.340 -4.499 742 HH22 ARG 91 HH12 ARG 91 86.584 14.384 -4.173 743 H GLU 92 H GLU 92 81.152 10.399 -5.314 744 HA GLU 92 HA GLU 92 79.266 9.384 -3.500 745 HB2 GLU 92 HB2 GLU 92 79.375 11.738 -4.437 746 HB3 GLU 92 HB3 GLU 92 78.619 11.105 -5.900 747 HG2 GLU 92 HG2 GLU 92 76.750 10.220 -4.482 748 HG3 GLU 92 HG3 GLU 92 77.477 11.029 -3.094 749 H ASP 93 H ASP 93 79.252 9.262 -7.076 750 HA ASP 93 HA ASP 93 76.956 7.662 -7.339 751 HB2 ASP 93 HB2 ASP 93 79.388 7.841 -9.134 752 HB3 ASP 93 HB1 ASP 93 77.852 7.104 -9.583 753 H LEU 94 H LEU 94 80.394 6.779 -7.140 754 HA LEU 94 HA LEU 94 80.081 3.996 -7.401 755 HB2 LEU 94 HB2 LEU 94 82.277 5.044 -7.565 756 HB3 LEU 94 HB3 LEU 94 82.165 5.581 -5.890 757 HG LEU 94 HG LEU 94 82.136 3.279 -5.104 758 HD11 LEU 94 HD11 LEU 94 81.027 2.014 -6.718 759 HD12 LEU 94 HD12 LEU 94 82.701 1.537 -6.993 760 HD13 LEU 94 HD13 LEU 94 81.939 2.726 -8.049 761 HD21 LEU 94 HD21 LEU 94 84.322 4.415 -5.568 762 HD22 LEU 94 HD22 LEU 94 84.337 3.647 -7.156 763 HD23 LEU 94 HD23 LEU 94 84.406 2.659 -5.698 764 H ILE 95 H ILE 95 79.868 6.150 -4.640 765 HA ILE 95 HA ILE 95 79.678 4.032 -2.726 766 HB ILE 95 HB ILE 95 79.358 7.011 -2.620 767 HG12 ILE 95 HG12 ILE 95 81.060 5.412 -0.767 768 HG13 ILE 95 HG13 ILE 95 81.525 5.390 -2.461 769 HG21 ILE 95 HG21 ILE 95 79.114 6.483 -0.038 770 HG22 ILE 95 HG22 ILE 95 78.422 4.970 -0.621 771 HG23 ILE 95 HG23 ILE 95 77.684 6.507 -1.069 772 HD11 ILE 95 HD11 ILE 95 80.880 8.075 -1.403 773 HD12 ILE 95 HD12 ILE 95 82.211 7.551 -2.431 774 HD13 ILE 95 HD13 ILE 95 82.302 7.316 -0.691 775 H ALA 96 H ALA 96 77.465 5.845 -4.692 776 HA ALA 96 HA ALA 96 75.084 5.282 -3.249 777 HB1 ALA 96 HB1 ALA 96 75.280 7.008 -5.047 778 HB2 ALA 96 HB2 ALA 96 73.925 5.906 -5.288 779 HB3 ALA 96 HB3 ALA 96 75.402 5.707 -6.231 780 H TYR 97 H TYR 97 76.976 3.568 -5.660 781 HA TYR 97 HA TYR 97 75.043 1.462 -6.021 782 HB2 TYR 97 HB2 TYR 97 76.550 1.916 -7.851 783 HB3 TYR 97 HB3 TYR 97 77.955 1.693 -6.808 784 HD1 TYR 97 HD1 TYR 97 75.001 -0.060 -8.257 785 HD2 TYR 97 HD2 TYR 97 78.847 -0.474 -6.392 786 HE1 TYR 97 HE1 TYR 97 74.964 -2.494 -8.722 787 HE2 TYR 97 HE2 TYR 97 78.810 -2.909 -6.859 788 HH TYR 97 HH TYR 97 76.228 -4.619 -7.487 789 H LEU 98 H LEU 98 78.136 1.829 -4.288 790 HA LEU 98 HA LEU 98 78.340 -0.758 -3.263 791 HB2 LEU 98 HB2 LEU 98 79.251 1.918 -2.222 792 HB3 LEU 98 HB3 LEU 98 79.554 0.440 -1.315 793 HG LEU 98 HG LEU 98 80.293 0.606 -4.236 794 HD11 LEU 98 HD11 LEU 98 82.449 1.472 -3.723 795 HD12 LEU 98 HD12 LEU 98 82.182 1.309 -1.990 796 HD13 LEU 98 HD13 LEU 98 81.314 2.542 -2.904 797 HD21 LEU 98 HD21 LEU 98 81.974 -0.802 -2.250 798 HD22 LEU 98 HD22 LEU 98 81.404 -1.342 -3.827 799 HD23 LEU 98 HD23 LEU 98 80.344 -1.454 -2.422 800 H LYS 99 H LYS 99 76.181 1.821 -2.460 801 HA LYS 99 HA LYS 99 75.439 0.795 0.138 802 HB2 LYS 99 HB2 LYS 99 74.557 3.037 -1.630 803 HB3 LYS 99 HB3 LYS 99 73.423 2.465 -0.408 804 HG2 LYS 99 HG2 LYS 99 75.487 2.664 1.212 805 HG3 LYS 99 HG3 LYS 99 76.128 3.734 -0.034 806 HD2 LYS 99 HD2 LYS 99 73.415 4.050 1.288 807 HD3 LYS 99 HD3 LYS 99 74.858 4.962 1.727 808 HE2 LYS 99 HE2 LYS 99 73.506 4.966 -0.988 809 HE3 LYS 99 HE3 LYS 99 73.477 6.277 0.189 810 HZ1 LYS 99 HZ1 LYS 99 75.994 6.188 0.037 811 HZ2 LYS 99 HZ2 LYS 99 75.164 6.842 -1.294 812 HZ3 LYS 99 HZ3 LYS 99 75.776 5.258 -1.364 813 H LYS 100 H LYS 100 73.900 0.921 -3.074 814 HA LYS 100 HA LYS 100 71.667 -0.690 -2.233 815 HB2 LYS 100 HB2 LYS 100 72.624 0.230 -4.948 816 HB3 LYS 100 HB3 LYS 100 71.156 -0.718 -4.702 817 HG2 LYS 100 HG2 LYS 100 70.211 1.011 -3.283 818 HG3 LYS 100 HG3 LYS 100 71.715 1.931 -3.339 819 HD2 LYS 100 HD2 LYS 100 71.451 2.375 -5.687 820 HD3 LYS 100 HD3 LYS 100 70.102 1.244 -5.807 821 HE2 LYS 100 HE2 LYS 100 70.068 3.723 -4.065 822 HE3 LYS 100 HE3 LYS 100 69.398 3.660 -5.695 823 HZ1 LYS 100 HZ1 LYS 100 68.117 1.643 -4.817 824 HZ2 LYS 100 HZ2 LYS 100 67.595 3.189 -4.346 825 HZ3 LYS 100 HZ3 LYS 100 68.502 2.232 -3.275 826 H ALA 101 H ALA 101 74.850 -1.333 -3.302 827 HA ALA 101 HA ALA 101 74.255 -3.992 -4.327 828 HB1 ALA 101 HB1 ALA 101 76.067 -2.581 -5.308 829 HB2 ALA 101 HB2 ALA 101 76.638 -4.151 -4.743 830 HB3 ALA 101 HB3 ALA 101 76.940 -2.704 -3.781 831 H THR 102 H THR 102 75.446 -2.465 -1.410 832 HA THR 102 HA THR 102 76.143 -5.033 -0.191 833 HB THR 102 HB THR 102 76.779 -3.596 1.757 834 HG1 THR 102 HG1 THR 102 76.875 -1.266 0.675 835 HG21 THR 102 HG21 THR 102 78.660 -2.443 0.528 836 HG22 THR 102 HG22 THR 102 77.887 -2.936 -0.978 837 HG23 THR 102 HG23 THR 102 78.476 -4.155 0.149 838 H ASN 103 H ASN 103 73.395 -3.321 -0.731 839 HA ASN 103 HA ASN 103 72.117 -3.942 1.840 840 HB2 ASN 103 HB2 ASN 103 71.381 -2.257 -0.539 841 HB3 ASN 103 HB1 ASN 103 70.162 -2.739 0.633 842 HD21 ASN 103 HD21 ASN 103 73.498 -2.160 1.623 843 HD22 ASN 103 HD22 ASN 103 73.176 -0.731 2.479 844 H GLU 104 H GLU 104 72.326 -5.001 -1.449 845 HA GLU 104 HA GLU 104 70.731 -7.346 -0.847 846 HB2 GLU 104 HB2 GLU 104 69.219 -6.991 -2.814 847 HB3 GLU 104 HB3 GLU 104 68.942 -5.855 -1.493 848 HG2 GLU 104 HG2 GLU 104 70.259 -4.146 -2.634 849 HG3 GLU 104 HG3 GLU 104 70.662 -5.280 -3.922 850 HHA HEC 201 HA HEC 105 89.241 -3.479 3.257 851 HHB HEC 201 HB HEC 105 85.530 0.083 -0.420 852 HHC HEC 201 HC HEC 105 88.802 -1.791 -5.502 853 HHD HEC 201 HD HEC 105 92.087 -5.810 -1.887 854 HMA1 HEC 201 HMA1 HEC 105 85.030 -0.410 3.265 855 HMA2 HEC 201 HMA2 HEC 105 84.589 -0.115 1.587 856 HMA3 HEC 201 HMA3 HEC 105 85.750 0.941 2.390 857 HAA1 HEC 201 HAA1 HEC 105 86.809 -0.886 4.516 858 HAA2 HEC 201 HAA2 HEC 105 88.328 -1.759 4.491 859 HBA1 HEC 201 HBA1 HEC 105 87.300 -3.834 4.686 860 HBA2 HEC 201 HBA2 HEC 105 85.772 -3.259 4.027 861 HMB1 HEC 201 HMB1 HEC 105 85.161 1.608 -2.291 862 HMB2 HEC 201 HMB2 HEC 105 84.130 0.233 -2.680 863 HMB3 HEC 201 HMB3 HEC 105 84.822 1.206 -3.971 864 HAB HEC 201 HAB HEC 105 87.352 -0.550 -6.175 865 HBB1 HEC 201 HBB1 HEC 105 88.005 1.664 -5.886 866 HBB2 HEC 201 HBB2 HEC 105 86.373 1.869 -6.519 867 HBB3 HEC 201 HBB3 HEC 105 86.677 2.021 -4.792 868 HMC1 HEC 201 HMC1 HEC 105 91.132 -4.406 -6.842 869 HMC2 HEC 201 HMC2 HEC 105 91.354 -2.677 -6.586 870 HMC3 HEC 201 HMC3 HEC 105 89.737 -3.334 -6.821 871 HAC HEC 201 HAC HEC 105 92.571 -6.227 -3.802 872 HBC1 HEC 201 HBC1 HEC 105 93.160 -4.104 -5.811 873 HBC2 HEC 201 HBC2 HEC 105 93.695 -5.738 -6.200 874 HBC3 HEC 201 HBC3 HEC 105 94.252 -4.956 -4.722 875 HMD1 HEC 201 HMD1 HEC 105 93.152 -6.540 1.628 876 HMD2 HEC 201 HMD2 HEC 105 93.284 -6.352 -0.116 877 HMD3 HEC 201 HMD3 HEC 105 92.156 -7.527 0.560 878 HAD1 HEC 201 HAD1 HEC 105 91.731 -6.317 3.276 879 HAD2 HEC 201 HAD2 HEC 105 90.239 -5.532 3.753 880 HBD1 HEC 201 HBD1 HEC 105 91.516 -3.362 3.877 881 HBD2 HEC 201 HBD2 HEC 105 92.991 -4.294 3.629 882 H1 HOH 301 H2 HOH 200 83.059 2.999 -1.441 883 H2 HOH 301 H1 HOH 200 82.429 4.031 -0.535 884 H1 HOH 302 H2 HOH 201 85.242 4.913 6.610 885 H2 HOH 302 H1 HOH 201 86.748 4.892 6.458 886 H1 HOH 303 H2 HOH 202 81.930 -5.911 4.858 887 H2 HOH 303 H1 HOH 202 83.221 -5.550 5.564 888 H1 HOH 304 H2 HOH 203 82.541 -10.937 -0.097 889 H2 HOH 304 H1 HOH 203 83.547 -10.003 -0.736 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 74.783 11.885 -8.616 2 H2 GLY 1 H2 GLY 1 76.218 11.207 -8.012 3 H3 GLY 1 H3 GLY 1 75.280 12.231 -7.033 4 HA2 GLY 1 HA2 GLY 1 75.156 9.649 -6.758 5 HA3 GLY 1 HA3 GLY 1 73.714 10.653 -6.593 6 H ASP 2 H ASP 2 75.312 8.238 -8.462 7 HA ASP 2 HA ASP 2 72.879 7.782 -10.006 8 HB2 ASP 2 HB2 ASP 2 75.542 8.320 -11.338 9 HB3 ASP 2 HB1 ASP 2 74.105 7.707 -12.152 10 H VAL 3 H VAL 3 72.779 5.864 -8.792 11 HA VAL 3 HA VAL 3 74.732 3.982 -8.354 12 HB VAL 3 HB VAL 3 72.525 3.726 -7.405 13 HG11 VAL 3 HG11 VAL 3 71.639 3.386 -10.285 14 HG12 VAL 3 HG12 VAL 3 71.179 4.684 -9.183 15 HG13 VAL 3 HG13 VAL 3 70.617 3.038 -8.891 16 HG21 VAL 3 HG21 VAL 3 72.707 1.415 -9.327 17 HG22 VAL 3 HG22 VAL 3 72.352 1.399 -7.600 18 HG23 VAL 3 HG23 VAL 3 73.998 1.682 -8.158 19 H GLU 4 H GLU 4 73.421 4.981 -11.356 20 HA GLU 4 HA GLU 4 73.888 2.564 -12.821 21 HB2 GLU 4 HB2 GLU 4 73.476 5.437 -13.647 22 HB3 GLU 4 HB3 GLU 4 73.760 4.146 -14.816 23 HG2 GLU 4 HG2 GLU 4 71.580 4.004 -12.724 24 HG3 GLU 4 HG3 GLU 4 71.313 4.669 -14.334 25 H LYS 5 H LYS 5 75.614 5.695 -12.819 26 HA LYS 5 HA LYS 5 77.883 4.605 -14.191 27 HB2 LYS 5 HB2 LYS 5 77.306 7.210 -12.791 28 HB3 LYS 5 HB3 LYS 5 78.938 6.829 -13.343 29 HG2 LYS 5 HG2 LYS 5 78.275 6.718 -15.610 30 HG3 LYS 5 HG3 LYS 5 76.567 6.581 -15.196 31 HD2 LYS 5 HD2 LYS 5 78.054 9.038 -14.327 32 HD3 LYS 5 HD3 LYS 5 77.577 8.897 -16.018 33 HE2 LYS 5 HE2 LYS 5 75.271 8.755 -15.470 34 HE3 LYS 5 HE3 LYS 5 75.612 8.430 -13.771 35 HZ1 LYS 5 HZ1 LYS 5 76.606 10.673 -13.642 36 HZ2 LYS 5 HZ2 LYS 5 74.945 10.696 -14.004 37 HZ3 LYS 5 HZ3 LYS 5 76.090 10.970 -15.231 38 H GLY 6 H GLY 6 76.822 4.734 -10.932 39 HA2 GLY 6 HA2 GLY 6 79.375 4.482 -9.659 40 HA3 GLY 6 HA3 GLY 6 77.809 4.100 -8.939 41 H LYS 7 H LYS 7 77.034 2.336 -11.097 42 HA LYS 7 HA LYS 7 78.112 -0.113 -10.105 43 HB2 LYS 7 HB2 LYS 7 75.787 0.233 -11.067 44 HB3 LYS 7 HB3 LYS 7 76.544 0.274 -12.660 45 HG2 LYS 7 HG2 LYS 7 77.609 -1.964 -12.079 46 HG3 LYS 7 HG3 LYS 7 76.543 -2.009 -10.677 47 HD2 LYS 7 HD2 LYS 7 75.463 -3.229 -12.465 48 HD3 LYS 7 HD3 LYS 7 74.589 -1.716 -12.231 49 HE2 LYS 7 HE2 LYS 7 76.816 -1.576 -14.183 50 HE3 LYS 7 HE3 LYS 7 75.462 -2.597 -14.663 51 HZ1 LYS 7 HZ1 LYS 7 75.511 0.030 -15.025 52 HZ2 LYS 7 HZ2 LYS 7 74.766 -0.030 -13.499 53 HZ3 LYS 7 HZ3 LYS 7 74.078 -0.852 -14.818 54 H LYS 8 H LYS 8 78.495 1.734 -13.129 55 HA LYS 8 HA LYS 8 80.177 -0.077 -14.461 56 HB2 LYS 8 HB2 LYS 8 79.195 1.784 -15.643 57 HB3 LYS 8 HB3 LYS 8 80.028 2.940 -14.607 58 HG2 LYS 8 HG2 LYS 8 81.812 0.982 -15.931 59 HG3 LYS 8 HG3 LYS 8 80.980 2.072 -17.038 60 HD2 LYS 8 HD2 LYS 8 82.337 3.168 -14.582 61 HD3 LYS 8 HD3 LYS 8 83.276 2.811 -16.029 62 HE2 LYS 8 HE2 LYS 8 81.778 4.262 -17.358 63 HE3 LYS 8 HE3 LYS 8 80.854 4.633 -15.904 64 HZ1 LYS 8 HZ1 LYS 8 83.494 5.551 -16.713 65 HZ2 LYS 8 HZ2 LYS 8 83.287 5.217 -15.060 66 HZ3 LYS 8 HZ3 LYS 8 82.288 6.354 -15.832 67 H ILE 9 H ILE 9 80.960 2.611 -12.274 68 HA ILE 9 HA ILE 9 83.781 2.303 -12.452 69 HB ILE 9 HB ILE 9 82.096 3.562 -10.277 70 HG12 ILE 9 HG12 ILE 9 83.582 4.918 -12.539 71 HG13 ILE 9 HG13 ILE 9 81.889 4.444 -12.679 72 HG21 ILE 9 HG21 ILE 9 85.050 3.630 -10.923 73 HG22 ILE 9 HG22 ILE 9 84.285 3.167 -9.405 74 HG23 ILE 9 HG23 ILE 9 84.269 4.853 -9.920 75 HD11 ILE 9 HD11 ILE 9 81.327 5.804 -10.709 76 HD12 ILE 9 HD12 ILE 9 82.109 6.798 -11.938 77 HD13 ILE 9 HD13 ILE 9 83.022 6.259 -10.529 78 H PHE 10 H PHE 10 81.322 0.667 -10.651 79 HA PHE 10 HA PHE 10 83.124 -0.349 -8.627 80 HB2 PHE 10 HB2 PHE 10 80.978 -0.195 -7.775 81 HB3 PHE 10 HB1 PHE 10 80.227 -0.700 -9.289 82 HD1 PHE 10 HD1 PHE 10 80.130 -3.068 -9.923 83 HD2 PHE 10 HD2 PHE 10 81.837 -1.832 -6.187 84 HE1 PHE 10 HE1 PHE 10 80.046 -5.408 -9.118 85 HE2 PHE 10 HE2 PHE 10 81.761 -4.178 -5.380 86 HZ PHE 10 HZ PHE 10 80.863 -5.965 -6.847 87 H VAL 11 H VAL 11 81.326 -1.821 -11.346 88 HA VAL 11 HA VAL 11 82.292 -4.415 -11.107 89 HB VAL 11 HB VAL 11 81.783 -4.652 -13.519 90 HG11 VAL 11 HG11 VAL 11 79.685 -2.955 -12.168 91 HG12 VAL 11 HG12 VAL 11 80.030 -4.606 -11.656 92 HG13 VAL 11 HG13 VAL 11 79.443 -4.293 -13.290 93 HG21 VAL 11 HG21 VAL 11 81.360 -1.659 -13.324 94 HG22 VAL 11 HG22 VAL 11 80.899 -2.651 -14.706 95 HG23 VAL 11 HG23 VAL 11 82.600 -2.470 -14.278 96 H GLN 12 H GLN 12 83.806 -1.585 -12.504 97 HA GLN 12 HA GLN 12 86.008 -3.220 -13.550 98 HB2 GLN 12 HB2 GLN 12 86.727 -1.250 -14.696 99 HB3 GLN 12 HB1 GLN 12 84.982 -1.392 -14.908 100 HG2 GLN 12 HG2 GLN 12 84.724 0.159 -12.911 101 HG3 GLN 12 HG1 GLN 12 86.463 0.441 -13.009 102 HE21 GLN 12 HE21 GLN 12 85.724 -0.093 -16.136 103 HE22 GLN 12 HE22 GLN 12 85.342 1.480 -16.637 104 H LYS 13 H LYS 13 85.325 -1.083 -10.864 105 HA LYS 13 HA LYS 13 88.202 -0.899 -10.266 106 HB2 LYS 13 HB2 LYS 13 86.597 1.118 -10.294 107 HB3 LYS 13 HB3 LYS 13 86.057 0.522 -8.724 108 HG2 LYS 13 HG2 LYS 13 87.787 1.959 -8.101 109 HG3 LYS 13 HG3 LYS 13 88.640 0.421 -8.200 110 HD2 LYS 13 HD2 LYS 13 90.057 1.741 -9.477 111 HD3 LYS 13 HD3 LYS 13 88.970 1.167 -10.741 112 HE2 LYS 13 HE2 LYS 13 89.213 3.570 -10.976 113 HE3 LYS 13 HE3 LYS 13 87.582 3.232 -10.397 114 HZ1 LYS 13 HZ1 LYS 13 88.023 4.081 -8.358 115 HZ2 LYS 13 HZ2 LYS 13 89.124 5.016 -9.253 116 HZ3 LYS 13 HZ3 LYS 13 89.664 3.653 -8.395 117 H CYS 14 H CYS 14 85.285 -1.355 -8.197 118 HA CYS 14 HA CYS 14 86.945 -2.630 -6.201 119 HB2 CYS 14 HB2 CYS 14 83.965 -2.528 -6.034 120 HB3 CYS 14 HB1 CYS 14 85.151 -2.422 -4.738 121 H ALA 15 H ALA 15 84.455 -3.783 -8.450 122 HA ALA 15 HA ALA 15 83.926 -6.263 -7.399 123 HB1 ALA 15 HB1 ALA 15 83.885 -7.010 -9.899 124 HB2 ALA 15 HB2 ALA 15 84.206 -5.308 -10.226 125 HB3 ALA 15 HB3 ALA 15 82.750 -5.777 -9.349 126 H GLN 16 H GLN 16 86.886 -5.130 -8.822 127 HA GLN 16 HA GLN 16 88.202 -7.398 -9.606 128 HB2 GLN 16 HB2 GLN 16 89.237 -5.006 -8.093 129 HB3 GLN 16 HB1 GLN 16 90.294 -6.259 -8.740 130 HG2 GLN 16 HG2 GLN 16 89.320 -5.868 -10.999 131 HG3 GLN 16 HG1 GLN 16 88.356 -4.552 -10.329 132 HE21 GLN 16 HE21 GLN 16 91.815 -5.490 -9.868 133 HE22 GLN 16 HE22 GLN 16 92.428 -3.961 -10.277 134 H CYS 17 H CYS 17 88.521 -6.077 -6.281 135 HA CYS 17 HA CYS 17 88.887 -8.867 -5.343 136 HB2 CYS 17 HB2 CYS 17 90.123 -6.748 -3.704 137 HB3 CYS 17 HB1 CYS 17 90.764 -8.311 -4.201 138 H HIS 18 H HSD 18 86.327 -7.972 -5.358 139 HA HIS 18 HA HSD 18 85.742 -7.889 -2.507 140 HB2 HIS 18 HB2 HSD 18 85.127 -5.594 -4.341 141 HB3 HIS 18 HB1 HSD 18 84.034 -5.967 -3.012 142 HD1 HIS 18 HD1 HSD 18 84.965 -5.703 -0.580 143 HD2 HIS 18 HD2 HSD 18 87.636 -4.550 -3.558 144 HE1 HIS 18 HE1 HSD 18 86.818 -4.420 0.578 145 H THR 19 H THR 19 83.146 -7.600 -2.376 146 HA THR 19 HA THR 19 81.910 -9.279 -4.456 147 HB THR 19 HB THR 19 81.152 -9.862 -1.642 148 HG1 THR 19 HG1 THR 19 83.071 -11.434 -1.886 149 HG21 THR 19 HG21 THR 19 80.702 -11.983 -2.504 150 HG22 THR 19 HG22 THR 19 81.899 -11.822 -3.788 151 HG23 THR 19 HG23 THR 19 80.373 -10.947 -3.892 152 H VAL 20 H VAL 20 81.460 -7.232 -1.609 153 HA VAL 20 HA VAL 20 79.675 -5.974 -0.889 154 HB VAL 20 HB VAL 20 78.966 -4.301 -2.482 155 HG11 VAL 20 HG11 VAL 20 81.860 -5.125 -2.861 156 HG12 VAL 20 HG12 VAL 20 81.229 -4.072 -1.597 157 HG13 VAL 20 HG13 VAL 20 81.200 -3.545 -3.276 158 HG21 VAL 20 HG21 VAL 20 80.371 -5.889 -4.628 159 HG22 VAL 20 HG22 VAL 20 79.347 -4.470 -4.825 160 HG23 VAL 20 HG23 VAL 20 78.635 -6.010 -4.354 161 H GLU 21 H GLU 21 78.981 -8.739 -1.736 162 HA GLU 21 HA GLU 21 76.119 -8.247 -2.326 163 HB2 GLU 21 HB2 GLU 21 75.993 -10.156 -3.678 164 HB3 GLU 21 HB3 GLU 21 77.536 -9.443 -4.141 165 HG2 GLU 21 HG2 GLU 21 78.602 -10.968 -2.384 166 HG3 GLU 21 HG3 GLU 21 77.053 -11.809 -2.325 167 H LYS 22 H LYS 22 74.873 -8.703 -0.652 168 HA LYS 22 HA LYS 22 75.724 -9.824 1.745 169 HB2 LYS 22 HB2 LYS 22 73.601 -8.481 1.289 170 HB3 LYS 22 HB3 LYS 22 72.883 -9.993 0.738 171 HG2 LYS 22 HG2 LYS 22 72.280 -10.024 2.986 172 HG3 LYS 22 HG3 LYS 22 73.799 -10.917 3.042 173 HD2 LYS 22 HD2 LYS 22 75.009 -8.916 3.717 174 HD3 LYS 22 HD3 LYS 22 73.558 -7.931 3.522 175 HE2 LYS 22 HE2 LYS 22 73.834 -10.237 5.471 176 HE3 LYS 22 HE3 LYS 22 73.973 -8.533 5.901 177 HZ1 LYS 22 HZ1 LYS 22 71.595 -9.969 4.880 178 HZ2 LYS 22 HZ2 LYS 22 71.701 -8.273 4.879 179 HZ3 LYS 22 HZ3 LYS 22 71.763 -9.129 6.345 180 H GLY 23 H GLY 23 75.801 -11.843 2.587 181 HA2 GLY 23 HA2 GLY 23 75.788 -14.140 2.700 182 HA3 GLY 23 HA3 GLY 23 74.458 -14.110 1.547 183 H GLY 24 H GLY 24 77.509 -12.610 0.771 184 HA2 GLY 24 HA2 GLY 24 77.866 -14.496 -1.436 185 HA3 GLY 24 HA3 GLY 24 78.729 -12.979 -1.206 186 H LYS 25 H LYS 25 80.803 -13.694 -1.338 187 HA LYS 25 HA LYS 25 81.810 -15.195 0.947 188 HB2 LYS 25 HB2 LYS 25 83.180 -16.641 -0.714 189 HB3 LYS 25 HB3 LYS 25 81.501 -17.082 -0.410 190 HG2 LYS 25 HG2 LYS 25 80.764 -16.219 -2.471 191 HG3 LYS 25 HG3 LYS 25 82.199 -15.213 -2.670 192 HD2 LYS 25 HD2 LYS 25 83.573 -17.283 -2.913 193 HD3 LYS 25 HD3 LYS 25 82.095 -18.240 -2.826 194 HE2 LYS 25 HE2 LYS 25 81.357 -17.543 -4.913 195 HE3 LYS 25 HE3 LYS 25 82.236 -16.016 -4.833 196 HZ1 LYS 25 HZ1 LYS 25 84.246 -17.068 -5.318 197 HZ2 LYS 25 HZ2 LYS 25 83.135 -17.793 -6.379 198 HZ3 LYS 25 HZ3 LYS 25 83.639 -18.615 -4.980 199 H HIS 26 H HIS 26 83.316 -13.837 1.674 200 HA HIS 26 HA HIS 26 84.577 -11.814 0.243 201 HB2 HIS 26 HB2 HIS 26 86.397 -12.128 2.113 202 HB3 HIS 26 HB1 HIS 26 84.779 -11.578 2.543 203 HD1 HIS 26 HD1 HIS 26 86.987 -14.634 2.635 204 HD2 HIS 26 HD2 HIS 26 83.256 -13.425 4.050 205 HE1 HIS 26 HE1 HIS 26 86.223 -16.422 4.258 206 HE2 HIS 26 HE2 HIS 26 83.951 -15.697 5.133 207 H LYS 27 H LYS 27 85.965 -11.876 -1.364 208 HA LYS 27 HA LYS 27 87.953 -14.062 -1.485 209 HB2 LYS 27 HB2 LYS 27 87.654 -14.266 -3.866 210 HB3 LYS 27 HB3 LYS 27 86.068 -14.428 -3.112 211 HG2 LYS 27 HG2 LYS 27 85.883 -11.853 -3.488 212 HG3 LYS 27 HG3 LYS 27 87.198 -12.088 -4.640 213 HD2 LYS 27 HD2 LYS 27 85.722 -13.992 -5.612 214 HD3 LYS 27 HD3 LYS 27 84.408 -13.231 -4.714 215 HE2 LYS 27 HE2 LYS 27 84.312 -12.223 -6.855 216 HE3 LYS 27 HE3 LYS 27 85.146 -11.036 -5.853 217 HZ1 LYS 27 HZ1 LYS 27 86.645 -13.078 -7.371 218 HZ2 LYS 27 HZ2 LYS 27 87.193 -11.588 -6.762 219 HZ3 LYS 27 HZ3 LYS 27 86.155 -11.630 -8.107 220 H THR 28 H THR 28 89.954 -13.280 -1.509 221 HA THR 28 HA THR 28 91.680 -11.757 -1.579 222 HB THR 28 HB THR 28 90.411 -10.641 -4.068 223 HG1 THR 28 HG1 THR 28 91.063 -12.462 -5.159 224 HG21 THR 28 HG21 THR 28 93.246 -11.373 -3.276 225 HG22 THR 28 HG22 THR 28 92.579 -9.742 -3.344 226 HG23 THR 28 HG23 THR 28 92.771 -10.678 -4.826 227 H GLY 29 H GLY 29 89.145 -10.984 -0.249 228 HA2 GLY 29 HA2 GLY 29 89.752 -8.460 0.654 229 HA3 GLY 29 HA3 GLY 29 88.680 -8.198 -0.717 230 HA PRO 30 HA PRO 30 86.313 -9.541 3.209 231 HB2 PRO 30 HB2 PRO 30 85.714 -7.153 4.369 232 HB3 PRO 30 HB1 PRO 30 87.200 -8.049 4.740 233 HG2 PRO 30 HG2 PRO 30 86.805 -5.703 2.944 234 HG3 PRO 30 HG1 PRO 30 88.130 -6.056 4.066 235 HD2 PRO 30 HD2 PRO 30 88.296 -6.478 1.350 236 HD3 PRO 30 HD1 PRO 30 89.240 -7.391 2.549 237 H ASN 31 H ASN 31 83.998 -8.808 3.787 238 HA ASN 31 HA ASN 31 82.613 -8.085 1.285 239 HB2 ASN 31 HB2 ASN 31 80.693 -9.198 2.184 240 HB3 ASN 31 HB1 ASN 31 82.075 -10.251 2.474 241 HD21 ASN 31 HD21 ASN 31 82.667 -10.680 4.663 242 HD22 ASN 31 HD22 ASN 31 81.806 -10.064 5.990 243 H LEU 32 H LEU 32 81.782 -6.122 1.093 244 HA LEU 32 HA LEU 32 81.742 -4.291 3.319 245 HB2 LEU 32 HB2 LEU 32 80.537 -3.741 0.619 246 HB3 LEU 32 HB3 LEU 32 81.279 -2.611 1.745 247 HG LEU 32 HG LEU 32 82.653 -4.689 0.032 248 HD11 LEU 32 HD11 LEU 32 83.513 -1.839 0.264 249 HD12 LEU 32 HD12 LEU 32 81.999 -2.151 -0.582 250 HD13 LEU 32 HD13 LEU 32 83.493 -2.896 -1.147 251 HD21 LEU 32 HD21 LEU 32 83.621 -3.197 2.465 252 HD22 LEU 32 HD22 LEU 32 84.745 -3.674 1.197 253 HD23 LEU 32 HD23 LEU 32 83.825 -4.901 2.066 254 H HIS 33 H HIS 33 79.911 -6.604 3.481 255 HA HIS 33 HA HIS 33 77.245 -5.895 2.940 256 HB2 HIS 33 HB2 HIS 33 78.330 -7.592 5.204 257 HB3 HIS 33 HB1 HIS 33 76.650 -7.549 4.672 258 HD1 HIS 33 HD1 HIS 33 77.933 -10.235 4.458 259 HD2 HIS 33 HD2 HIS 33 78.254 -7.419 1.401 260 HE1 HIS 33 HE1 HIS 33 78.472 -11.527 2.350 261 HE2 HIS 33 HE2 HIS 33 78.667 -9.826 0.474 262 H GLY 34 H GLY 34 75.778 -4.604 3.978 263 HA2 GLY 34 HA2 GLY 34 75.198 -2.731 5.250 264 HA3 GLY 34 HA3 GLY 34 75.507 -3.863 6.565 265 H LEU 35 H LEU 35 78.013 -2.847 4.395 266 HA LEU 35 HA LEU 35 79.972 -2.237 6.167 267 HB2 LEU 35 HB2 LEU 35 80.376 -2.283 3.795 268 HB3 LEU 35 HB3 LEU 35 79.320 -0.901 3.535 269 HG LEU 35 HG LEU 35 81.022 0.262 5.239 270 HD11 LEU 35 HD11 LEU 35 82.895 -1.596 3.803 271 HD12 LEU 35 HD12 LEU 35 82.224 -2.055 5.365 272 HD13 LEU 35 HD13 LEU 35 83.204 -0.595 5.218 273 HD21 LEU 35 HD21 LEU 35 81.785 -0.245 2.351 274 HD22 LEU 35 HD22 LEU 35 82.202 1.163 3.327 275 HD23 LEU 35 HD23 LEU 35 80.528 0.887 2.848 276 H PHE 36 H PHE 36 77.801 0.209 4.765 277 HA PHE 36 HA PHE 36 78.663 2.389 6.249 278 HB2 PHE 36 HB2 PHE 36 75.791 1.948 5.425 279 HB3 PHE 36 HB1 PHE 36 76.642 3.481 5.606 280 HD1 PHE 36 HD2 PHE 36 76.491 0.351 3.587 281 HD2 PHE 36 HD1 PHE 36 77.961 4.384 3.825 282 HE1 PHE 36 HE2 PHE 36 77.230 0.224 1.228 283 HE2 PHE 36 HE1 PHE 36 78.687 4.256 1.467 284 HZ PHE 36 HZ PHE 36 78.326 2.178 0.163 285 H GLY 37 H GLY 37 79.040 1.903 8.432 286 HA2 GLY 37 HA2 GLY 37 77.554 2.616 10.427 287 HA3 GLY 37 HA3 GLY 37 76.686 1.140 10.042 288 H ARG 38 H ARG 38 79.294 -0.225 9.320 289 HA ARG 38 HA ARG 38 79.877 -1.111 12.030 290 HB2 ARG 38 HB2 ARG 38 80.317 -2.140 9.301 291 HB3 ARG 38 HB3 ARG 38 81.596 -2.522 10.452 292 HG2 ARG 38 HG2 ARG 38 79.725 -3.299 12.035 293 HG3 ARG 38 HG3 ARG 38 78.660 -3.225 10.631 294 HD2 ARG 38 HD2 ARG 38 81.258 -4.688 10.353 295 HD3 ARG 38 HD3 ARG 38 79.965 -5.463 11.258 296 HE ARG 38 HE ARG 38 78.612 -4.852 9.088 297 HH11 ARG 38 HH21 ARG 38 81.906 -5.939 9.333 298 HH12 ARG 38 HH22 ARG 38 81.899 -6.711 7.784 299 HH21 ARG 38 HH11 ARG 38 78.614 -5.887 7.075 300 HH22 ARG 38 HH12 ARG 38 80.043 -6.690 6.517 301 H LYS 39 H LYS 39 81.979 -1.281 12.922 302 HA LYS 39 HA LYS 39 83.588 1.073 12.509 303 HB2 LYS 39 HB2 LYS 39 83.103 0.117 14.754 304 HB3 LYS 39 HB3 LYS 39 84.053 -1.299 14.325 305 HG2 LYS 39 HG2 LYS 39 85.580 0.036 15.515 306 HG3 LYS 39 HG3 LYS 39 85.969 0.389 13.840 307 HD2 LYS 39 HD2 LYS 39 85.866 2.475 15.096 308 HD3 LYS 39 HD3 LYS 39 84.516 2.421 13.969 309 HE2 LYS 39 HE2 LYS 39 82.951 2.228 15.645 310 HE3 LYS 39 HE3 LYS 39 84.024 1.289 16.683 311 HZ1 LYS 39 HZ1 LYS 39 85.067 3.170 17.461 312 HZ2 LYS 39 HZ2 LYS 39 83.464 3.713 17.303 313 HZ3 LYS 39 HZ3 LYS 39 84.621 4.116 16.125 314 H THR 40 H THR 40 85.855 1.082 12.032 315 HA THR 40 HA THR 40 86.620 -0.368 9.790 316 HB THR 40 HB THR 40 88.994 0.361 10.521 317 HG1 THR 40 HG1 THR 40 87.372 1.730 12.402 318 HG21 THR 40 HG21 THR 40 87.747 1.606 8.870 319 HG22 THR 40 HG22 THR 40 88.420 2.759 10.021 320 HG23 THR 40 HG23 THR 40 86.717 2.313 10.113 321 H GLY 41 H GLY 41 87.897 -2.127 9.403 322 HA2 GLY 41 HA2 GLY 41 88.641 -4.271 9.752 323 HA3 GLY 41 HA3 GLY 41 89.494 -3.566 11.122 324 H GLN 42 H GLN 42 86.052 -4.188 10.448 325 HA GLN 42 HA GLN 42 85.931 -5.713 12.988 326 HB2 GLN 42 HB2 GLN 42 84.705 -3.433 12.813 327 HB3 GLN 42 HB1 GLN 42 83.556 -4.302 11.795 328 HG2 GLN 42 HG2 GLN 42 83.457 -6.041 13.691 329 HG3 GLN 42 HG1 GLN 42 84.265 -4.830 14.684 330 HE21 GLN 42 HE21 GLN 42 81.279 -5.478 12.842 331 HE22 GLN 42 HE22 GLN 42 80.356 -4.281 13.611 332 H ALA 43 H ALA 43 85.545 -5.824 9.618 333 HA ALA 43 HA ALA 43 83.453 -7.732 9.422 334 HB1 ALA 43 HB1 ALA 43 84.981 -8.202 7.203 335 HB2 ALA 43 HB2 ALA 43 85.472 -6.563 7.633 336 HB3 ALA 43 HB3 ALA 43 83.774 -6.922 7.332 337 HA PRO 44 HA PRO 44 86.024 -11.115 10.936 338 HB2 PRO 44 HB2 PRO 44 84.060 -12.953 11.217 339 HB3 PRO 44 HB1 PRO 44 84.226 -11.583 12.333 340 HG2 PRO 44 HG2 PRO 44 82.349 -11.939 10.044 341 HG3 PRO 44 HG1 PRO 44 82.053 -11.247 11.649 342 HD2 PRO 44 HD2 PRO 44 82.505 -9.739 9.376 343 HD3 PRO 44 HD1 PRO 44 82.815 -9.164 11.031 344 H GLY 45 H GLY 45 87.323 -12.073 9.455 345 HA2 GLY 45 HA2 GLY 45 86.836 -14.288 7.995 346 HA3 GLY 45 HA3 GLY 45 86.285 -13.014 6.911 347 H PHE 46 H PHE 46 87.833 -11.357 6.287 348 HA PHE 46 HA PHE 46 90.369 -12.475 5.598 349 HB2 PHE 46 HB2 PHE 46 88.948 -10.688 4.345 350 HB3 PHE 46 HB1 PHE 46 89.738 -9.539 5.423 351 HD1 PHE 46 HD2 PHE 46 90.227 -11.943 2.677 352 HD2 PHE 46 HD1 PHE 46 92.148 -9.138 5.302 353 HE1 PHE 46 HE2 PHE 46 92.251 -11.991 1.245 354 HE2 PHE 46 HE1 PHE 46 94.172 -9.186 3.872 355 HZ PHE 46 HZ PHE 46 94.224 -10.611 1.843 356 H THR 47 H THR 47 92.454 -11.700 6.198 357 HA THR 47 HA THR 47 92.683 -11.113 9.008 358 HB THR 47 HB THR 47 94.877 -11.162 6.929 359 HG1 THR 47 HG1 THR 47 93.686 -13.094 6.914 360 HG21 THR 47 HG21 THR 47 96.268 -11.764 8.883 361 HG22 THR 47 HG22 THR 47 94.855 -11.613 9.927 362 HG23 THR 47 HG23 THR 47 95.497 -10.193 9.101 363 H TYR 48 H TYR 48 91.627 -9.053 9.105 364 HA TYR 48 HA TYR 48 92.376 -6.783 7.634 365 HB2 TYR 48 HB2 TYR 48 90.974 -7.270 10.220 366 HB3 TYR 48 HB3 TYR 48 91.534 -5.631 9.895 367 HD1 TYR 48 HD1 TYR 48 90.667 -4.344 8.024 368 HD2 TYR 48 HD2 TYR 48 89.250 -8.315 8.829 369 HE1 TYR 48 HE1 TYR 48 88.748 -3.962 6.514 370 HE2 TYR 48 HE2 TYR 48 87.324 -7.935 7.313 371 HH TYR 48 HH TYR 48 86.433 -4.874 6.227 372 H THR 49 H THR 49 93.662 -4.985 8.204 373 HA THR 49 HA THR 49 96.139 -5.736 9.529 374 HB THR 49 HB THR 49 96.984 -3.611 8.703 375 HG1 THR 49 HG1 THR 49 94.935 -2.516 9.104 376 HG21 THR 49 HG21 THR 49 95.255 -5.135 6.741 377 HG22 THR 49 HG22 THR 49 96.972 -5.375 7.068 378 HG23 THR 49 HG23 THR 49 96.426 -3.910 6.252 379 H ASP 50 H ASP 50 97.074 -4.575 11.276 380 HA ASP 50 HA ASP 50 95.480 -4.119 13.472 381 HB2 ASP 50 HB2 ASP 50 97.994 -2.523 13.065 382 HB3 ASP 50 HB1 ASP 50 97.368 -3.247 14.545 383 H ALA 51 H ALA 51 96.540 -1.771 11.036 384 HA ALA 51 HA ALA 51 95.646 0.580 12.208 385 HB1 ALA 51 HB1 ALA 51 95.608 -0.233 9.294 386 HB2 ALA 51 HB2 ALA 51 96.902 0.613 10.142 387 HB3 ALA 51 HB3 ALA 51 95.354 1.414 9.873 388 H ASN 52 H ASN 52 93.820 -1.505 9.950 389 HA ASN 52 HA ASN 52 91.357 -0.128 10.308 390 HB2 ASN 52 HB2 ASN 52 92.178 -2.767 9.142 391 HB3 ASN 52 HB1 ASN 52 90.469 -2.454 9.431 392 HD21 ASN 52 HD21 ASN 52 90.188 -2.469 7.036 393 HD22 ASN 52 HD22 ASN 52 90.610 -1.088 6.139 394 H LYS 53 H LYS 53 93.023 -2.594 12.067 395 HA LYS 53 HA LYS 53 90.747 -3.492 13.587 396 HB2 LYS 53 HB2 LYS 53 93.136 -4.613 12.969 397 HB3 LYS 53 HB3 LYS 53 93.508 -3.973 14.569 398 HG2 LYS 53 HG2 LYS 53 91.399 -5.071 15.395 399 HG3 LYS 53 HG3 LYS 53 91.280 -5.866 13.824 400 HD2 LYS 53 HD2 LYS 53 93.687 -6.675 14.235 401 HD3 LYS 53 HD3 LYS 53 93.446 -6.175 15.909 402 HE2 LYS 53 HE2 LYS 53 92.862 -8.497 15.814 403 HE3 LYS 53 HE3 LYS 53 91.341 -7.609 15.908 404 HZ1 LYS 53 HZ1 LYS 53 90.818 -8.087 13.767 405 HZ2 LYS 53 HZ2 LYS 53 91.754 -9.464 14.107 406 HZ3 LYS 53 HZ3 LYS 53 92.433 -8.161 13.254 407 H ASN 54 H ASN 54 92.956 -0.910 13.678 408 HA ASN 54 HA ASN 54 93.154 -0.472 16.461 409 HB2 ASN 54 HB2 ASN 54 94.265 1.440 15.882 410 HB3 ASN 54 HB1 ASN 54 94.375 0.593 14.345 411 HD21 ASN 54 HD21 ASN 54 91.636 1.001 13.486 412 HD22 ASN 54 HD22 ASN 54 91.433 2.658 13.184 413 H LYS 55 H LYS 55 90.615 -0.019 14.241 414 HA LYS 55 HA LYS 55 88.476 0.823 14.445 415 HB2 LYS 55 HB2 LYS 55 89.019 0.855 17.421 416 HB3 LYS 55 HB3 LYS 55 87.452 0.785 16.620 417 HG2 LYS 55 HG2 LYS 55 88.438 -1.399 15.517 418 HG3 LYS 55 HG3 LYS 55 89.532 -1.362 16.899 419 HD2 LYS 55 HD2 LYS 55 87.412 -1.079 18.342 420 HD3 LYS 55 HD3 LYS 55 86.521 -1.583 16.906 421 HE2 LYS 55 HE2 LYS 55 86.872 -3.638 17.941 422 HE3 LYS 55 HE3 LYS 55 88.282 -3.559 16.886 423 HZ1 LYS 55 HZ1 LYS 55 89.673 -3.188 18.615 424 HZ2 LYS 55 HZ2 LYS 55 88.474 -4.044 19.461 425 HZ3 LYS 55 HZ3 LYS 55 88.518 -2.347 19.530 426 H GLY 56 H GLY 56 89.845 2.746 13.530 427 HA2 GLY 56 HA2 GLY 56 90.085 5.003 15.349 428 HA3 GLY 56 HA3 GLY 56 90.507 4.986 13.640 429 H ILE 57 H ILE 57 88.076 4.073 12.568 430 HA ILE 57 HA ILE 57 86.019 5.947 13.484 431 HB ILE 57 HB ILE 57 85.741 6.928 11.256 432 HG12 ILE 57 HG12 ILE 57 87.953 6.499 9.779 433 HG13 ILE 57 HG13 ILE 57 87.894 4.946 10.609 434 HG21 ILE 57 HG21 ILE 57 87.631 8.400 11.346 435 HG22 ILE 57 HG22 ILE 57 88.632 7.170 12.116 436 HG23 ILE 57 HG23 ILE 57 87.300 7.906 13.006 437 HD11 ILE 57 HD11 ILE 57 85.781 4.404 9.693 438 HD12 ILE 57 HD12 ILE 57 86.641 5.154 8.354 439 HD13 ILE 57 HD13 ILE 57 85.442 6.078 9.254 440 H THR 58 H THR 58 84.112 5.750 11.735 441 HA THR 58 HA THR 58 83.692 2.853 11.300 442 HB THR 58 HB THR 58 81.916 4.980 12.428 443 HG1 THR 58 HG1 THR 58 81.873 2.250 13.023 444 HG21 THR 58 HG21 THR 58 80.028 3.232 12.005 445 HG22 THR 58 HG22 THR 58 81.063 2.672 10.694 446 HG23 THR 58 HG23 THR 58 80.470 4.330 10.700 447 H TRP 59 H TRP 59 82.848 2.184 9.383 448 HA TRP 59 HA TRP 59 83.166 3.830 7.104 449 HB2 TRP 59 HB2 TRP 59 81.406 1.387 7.159 450 HB3 TRP 59 HB1 TRP 59 82.400 2.001 5.838 451 HD1 TRP 59 HD1 TRP 59 85.129 2.392 7.271 452 HE1 TRP 59 HE1 TRP 59 86.486 0.350 8.084 453 HE3 TRP 59 HE3 TRP 59 81.415 -1.093 7.569 454 HZ2 TRP 59 HZ2 TRP 59 86.042 -2.379 8.808 455 HZ3 TRP 59 HZ3 TRP 59 81.908 -3.402 8.318 456 HH2 TRP 59 HH2 TRP 59 84.215 -4.047 8.936 457 H LYS 60 H LYS 60 81.767 5.047 5.960 458 HA LYS 60 HA LYS 60 78.904 4.936 6.431 459 HB2 LYS 60 HB2 LYS 60 80.537 7.383 7.159 460 HB3 LYS 60 HB3 LYS 60 78.783 7.377 6.984 461 HG2 LYS 60 HG2 LYS 60 78.772 5.462 8.692 462 HG3 LYS 60 HG3 LYS 60 80.453 5.885 9.013 463 HD2 LYS 60 HD2 LYS 60 78.310 8.004 9.090 464 HD3 LYS 60 HD3 LYS 60 78.594 6.967 10.486 465 HE2 LYS 60 HE2 LYS 60 80.718 8.635 9.110 466 HE3 LYS 60 HE3 LYS 60 79.905 9.073 10.611 467 HZ1 LYS 60 HZ1 LYS 60 81.850 8.043 11.302 468 HZ2 LYS 60 HZ2 LYS 60 81.768 6.839 10.107 469 HZ3 LYS 60 HZ3 LYS 60 80.698 6.805 11.426 470 H GLU 61 H GLU 61 78.305 7.441 5.252 471 HA GLU 61 HA GLU 61 78.796 6.791 2.493 472 HB2 GLU 61 HB2 GLU 61 76.648 7.752 3.291 473 HB3 GLU 61 HB3 GLU 61 77.492 9.251 3.682 474 HG2 GLU 61 HG2 GLU 61 78.150 9.523 1.337 475 HG3 GLU 61 HG3 GLU 61 77.379 7.992 0.926 476 H GLU 62 H GLU 62 79.487 9.708 4.447 477 HA GLU 62 HA GLU 62 81.219 10.842 2.492 478 HB2 GLU 62 HB2 GLU 62 81.096 11.453 5.453 479 HB3 GLU 62 HB3 GLU 62 81.745 12.493 4.185 480 HG2 GLU 62 HG2 GLU 62 79.483 12.524 3.118 481 HG3 GLU 62 HG3 GLU 62 78.862 11.608 4.490 482 H THR 63 H THR 63 81.806 9.007 5.476 483 HA THR 63 HA THR 63 84.581 9.220 5.587 484 HB THR 63 HB THR 63 84.539 7.095 6.821 485 HG1 THR 63 HG1 THR 63 82.193 6.325 7.001 486 HG21 THR 63 HG21 THR 63 83.873 9.052 8.050 487 HG22 THR 63 HG22 THR 63 82.785 7.739 8.500 488 HG23 THR 63 HG23 THR 63 82.247 8.984 7.372 489 H LEU 64 H LEU 64 82.519 7.136 3.650 490 HA LEU 64 HA LEU 64 84.604 5.508 2.607 491 HB2 LEU 64 HB2 LEU 64 81.741 5.845 2.186 492 HB3 LEU 64 HB3 LEU 64 82.589 5.555 0.675 493 HG LEU 64 HG LEU 64 82.958 3.841 3.147 494 HD11 LEU 64 HD11 LEU 64 80.876 3.847 1.045 495 HD12 LEU 64 HD12 LEU 64 80.837 3.157 2.665 496 HD13 LEU 64 HD13 LEU 64 81.616 2.277 1.351 497 HD21 LEU 64 HD21 LEU 64 83.943 3.775 0.303 498 HD22 LEU 64 HD22 LEU 64 83.681 2.251 1.149 499 HD23 LEU 64 HD23 LEU 64 84.820 3.430 1.793 500 H MET 65 H MET 65 83.125 8.561 1.594 501 HA MET 65 HA MET 65 84.233 8.745 -0.974 502 HB2 MET 65 HB2 MET 65 83.701 10.977 0.998 503 HB3 MET 65 HB1 MET 65 83.969 11.184 -0.733 504 HG2 MET 65 HG2 MET 65 81.983 9.929 -1.264 505 HG3 MET 65 HG1 MET 65 81.769 9.460 0.420 506 HE1 MET 65 HE1 MET 65 80.121 12.984 -1.707 507 HE2 MET 65 HE2 MET 65 80.175 11.260 -2.066 508 HE3 MET 65 HE3 MET 65 81.635 12.232 -2.230 509 H GLU 66 H GLU 66 85.510 10.179 2.039 510 HA GLU 66 HA GLU 66 87.942 11.072 0.960 511 HB2 GLU 66 HB2 GLU 66 87.267 10.193 3.777 512 HB3 GLU 66 HB3 GLU 66 88.744 11.042 3.325 513 HG2 GLU 66 HG2 GLU 66 86.454 12.439 2.237 514 HG3 GLU 66 HG3 GLU 66 86.225 12.189 3.965 515 H TYR 67 H TYR 67 86.901 7.951 2.105 516 HA TYR 67 HA TYR 67 89.539 6.784 2.166 517 HB2 TYR 67 HB2 TYR 67 87.905 5.850 3.641 518 HB3 TYR 67 HB3 TYR 67 86.750 5.648 2.330 519 HD1 TYR 67 HD2 TYR 67 87.005 3.866 0.669 520 HD2 TYR 67 HD1 TYR 67 89.785 4.315 3.913 521 HE1 TYR 67 HE2 TYR 67 87.891 1.593 0.225 522 HE2 TYR 67 HE1 TYR 67 90.669 2.041 3.470 523 HH TYR 67 HH TYR 67 90.553 0.487 0.946 524 H LEU 68 H LEU 68 87.004 7.206 -0.176 525 HA LEU 68 HA LEU 68 87.947 5.171 -1.974 526 HB2 LEU 68 HB2 LEU 68 85.856 7.316 -2.079 527 HB3 LEU 68 HB3 LEU 68 86.364 6.542 -3.574 528 HG LEU 68 HG LEU 68 85.337 5.091 -1.117 529 HD11 LEU 68 HD11 LEU 68 83.320 4.732 -2.314 530 HD12 LEU 68 HD12 LEU 68 84.015 5.321 -3.823 531 HD13 LEU 68 HD13 LEU 68 83.671 6.449 -2.513 532 HD21 LEU 68 HD21 LEU 68 86.648 4.212 -3.616 533 HD22 LEU 68 HD22 LEU 68 85.162 3.358 -3.218 534 HD23 LEU 68 HD23 LEU 68 86.495 3.387 -2.067 535 H GLU 69 H GLU 69 88.738 8.502 -1.412 536 HA GLU 69 HA GLU 69 90.098 8.689 -4.017 537 HB2 GLU 69 HB2 GLU 69 90.534 11.070 -3.262 538 HB3 GLU 69 HB3 GLU 69 88.843 10.649 -3.534 539 HG2 GLU 69 HG2 GLU 69 88.323 10.696 -1.284 540 HG3 GLU 69 HG3 GLU 69 89.954 10.255 -0.789 541 H ASN 70 H ASN 70 90.724 7.725 -0.892 542 HA ASN 70 HA ASN 70 93.526 7.461 -1.377 543 HB2 ASN 70 HB2 ASN 70 94.345 8.878 0.439 544 HB3 ASN 70 HB1 ASN 70 93.500 9.844 -0.763 545 HD21 ASN 70 HD21 ASN 70 93.257 8.526 2.531 546 HD22 ASN 70 HD22 ASN 70 91.957 9.509 3.006 547 HA PRO 71 HA PRO 71 91.225 4.494 1.480 548 HB2 PRO 71 HB2 PRO 71 93.017 2.696 -0.099 549 HB3 PRO 71 HB1 PRO 71 91.325 2.465 0.376 550 HG2 PRO 71 HG2 PRO 71 91.995 3.123 -2.117 551 HG3 PRO 71 HG1 PRO 71 90.524 3.749 -1.353 552 HD2 PRO 71 HD2 PRO 71 93.092 5.160 -1.926 553 HD3 PRO 71 HD1 PRO 71 91.437 5.805 -1.859 554 H LYS 72 H LYS 72 94.628 4.743 0.520 555 HA LYS 72 HA LYS 72 95.614 3.401 2.869 556 HB2 LYS 72 HB2 LYS 72 96.799 3.400 0.678 557 HB3 LYS 72 HB3 LYS 72 97.115 5.120 0.888 558 HG2 LYS 72 HG2 LYS 72 98.922 4.643 2.152 559 HG3 LYS 72 HG3 LYS 72 97.888 3.816 3.315 560 HD2 LYS 72 HD2 LYS 72 98.878 2.481 0.785 561 HD3 LYS 72 HD3 LYS 72 99.764 2.413 2.307 562 HE2 LYS 72 HE2 LYS 72 96.925 1.444 1.853 563 HE3 LYS 72 HE3 LYS 72 98.347 0.430 2.089 564 HZ1 LYS 72 HZ1 LYS 72 97.015 2.207 4.035 565 HZ2 LYS 72 HZ2 LYS 72 98.621 1.700 4.257 566 HZ3 LYS 72 HZ3 LYS 72 97.370 0.555 4.179 567 H LYS 73 H LYS 73 95.596 6.793 1.754 568 HA LYS 73 HA LYS 73 96.924 7.824 4.019 569 HB2 LYS 73 HB2 LYS 73 96.320 8.891 1.662 570 HB3 LYS 73 HB3 LYS 73 94.942 9.521 2.564 571 HG2 LYS 73 HG2 LYS 73 96.572 10.370 4.297 572 HG3 LYS 73 HG3 LYS 73 97.878 9.907 3.206 573 HD2 LYS 73 HD2 LYS 73 97.586 12.122 2.573 574 HD3 LYS 73 HD3 LYS 73 96.478 11.331 1.453 575 HE2 LYS 73 HE2 LYS 73 94.595 11.780 2.965 576 HE3 LYS 73 HE3 LYS 73 95.692 12.525 4.129 577 HZ1 LYS 73 HZ1 LYS 73 94.777 14.281 2.902 578 HZ2 LYS 73 HZ2 LYS 73 94.978 13.478 1.419 579 HZ3 LYS 73 HZ3 LYS 73 96.331 14.070 2.260 580 H TYR 74 H TYR 74 93.559 7.024 3.455 581 HA TYR 74 HA TYR 74 92.463 8.559 5.576 582 HB2 TYR 74 HB2 TYR 74 91.323 7.243 3.576 583 HB3 TYR 74 HB3 TYR 74 91.227 5.953 4.773 584 HD1 TYR 74 HD1 TYR 74 90.701 9.680 4.649 585 HD2 TYR 74 HD2 TYR 74 89.256 5.871 6.020 586 HE1 TYR 74 HE1 TYR 74 88.746 10.794 5.687 587 HE2 TYR 74 HE2 TYR 74 87.302 6.989 7.059 588 HH TYR 74 HH TYR 74 86.270 8.911 7.435 589 H ILE 75 H ILE 75 93.183 5.064 5.407 590 HA ILE 75 HA ILE 75 93.674 5.114 8.327 591 HB ILE 75 HB ILE 75 92.324 2.897 6.764 592 HG12 ILE 75 HG12 ILE 75 91.115 4.604 8.946 593 HG13 ILE 75 HG13 ILE 75 91.029 5.086 7.254 594 HG21 ILE 75 HG21 ILE 75 91.880 2.144 9.218 595 HG22 ILE 75 HG22 ILE 75 93.218 3.216 9.631 596 HG23 ILE 75 HG23 ILE 75 93.482 1.856 8.541 597 HD11 ILE 75 HD11 ILE 75 89.898 3.001 6.676 598 HD12 ILE 75 HD12 ILE 75 89.020 3.802 7.979 599 HD13 ILE 75 HD13 ILE 75 90.062 2.424 8.335 600 HA PRO 76 HA PRO 76 97.473 3.910 5.803 601 HB2 PRO 76 HB2 PRO 76 98.450 4.707 8.530 602 HB3 PRO 76 HB1 PRO 76 99.183 5.006 6.941 603 HG2 PRO 76 HG2 PRO 76 97.833 6.910 8.230 604 HG3 PRO 76 HG1 PRO 76 97.771 6.754 6.465 605 HD2 PRO 76 HD2 PRO 76 95.665 6.154 8.466 606 HD3 PRO 76 HD1 PRO 76 95.500 6.535 6.740 607 H GLY 77 H GLY 77 98.317 1.895 5.786 608 HA2 GLY 77 HA2 GLY 77 99.277 -0.018 6.907 609 HA3 GLY 77 HA3 GLY 77 98.146 0.240 8.231 610 H THR 78 H THR 78 95.946 0.802 6.295 611 HA THR 78 HA THR 78 94.752 -1.713 6.186 612 HB THR 78 HB THR 78 93.595 0.509 5.945 613 HG1 THR 78 HG1 THR 78 93.182 -1.766 4.435 614 HG21 THR 78 HG21 THR 78 93.584 1.624 3.847 615 HG22 THR 78 HG22 THR 78 94.379 0.270 3.041 616 HG23 THR 78 HG23 THR 78 95.280 1.273 4.178 617 H LYS 79 H LYS 79 94.576 -3.299 4.614 618 HA LYS 79 HA LYS 79 96.708 -3.278 2.609 619 HB2 LYS 79 HB2 LYS 79 95.964 -5.252 4.222 620 HB3 LYS 79 HB3 LYS 79 94.830 -5.584 2.916 621 HG2 LYS 79 HG2 LYS 79 97.840 -5.341 2.635 622 HG3 LYS 79 HG3 LYS 79 96.913 -6.840 2.573 623 HD2 LYS 79 HD2 LYS 79 95.617 -5.801 0.631 624 HD3 LYS 79 HD3 LYS 79 96.855 -4.543 0.606 625 HE2 LYS 79 HE2 LYS 79 97.438 -6.299 -0.995 626 HE3 LYS 79 HE3 LYS 79 98.597 -6.298 0.334 627 HZ1 LYS 79 HZ1 LYS 79 97.674 -8.527 -0.362 628 HZ2 LYS 79 HZ2 LYS 79 96.201 -8.037 0.329 629 HZ3 LYS 79 HZ3 LYS 79 97.595 -8.167 1.293 630 H MET 80 H MET 80 95.951 -1.840 1.065 631 HA MET 80 HA MET 80 94.335 -2.912 -0.984 632 HB2 MET 80 HB2 MET 80 92.434 -2.465 0.434 633 HB3 MET 80 HB1 MET 80 93.007 -0.828 0.764 634 HG2 MET 80 HG2 MET 80 92.610 -0.125 -1.477 635 HG3 MET 80 HG1 MET 80 92.422 -1.784 -2.044 636 HE1 MET 80 HE1 MET 80 89.048 0.596 -1.976 637 HE2 MET 80 HE2 MET 80 90.279 -0.020 -3.075 638 HE3 MET 80 HE3 MET 80 90.716 1.170 -1.853 639 H ILE 81 H ILE 81 95.971 -2.233 -2.317 640 HA ILE 81 HA ILE 81 96.185 0.689 -2.720 641 HB ILE 81 HB ILE 81 98.463 -1.303 -2.883 642 HG12 ILE 81 HG12 ILE 81 99.244 0.388 -0.970 643 HG13 ILE 81 HG13 ILE 81 97.507 0.592 -0.756 644 HG21 ILE 81 HG21 ILE 81 99.805 0.826 -3.103 645 HG22 ILE 81 HG22 ILE 81 98.282 1.694 -3.296 646 HG23 ILE 81 HG23 ILE 81 98.761 0.480 -4.482 647 HD11 ILE 81 HD11 ILE 81 97.742 -1.219 0.617 648 HD12 ILE 81 HD12 ILE 81 99.221 -1.756 -0.175 649 HD13 ILE 81 HD13 ILE 81 97.654 -2.125 -0.893 650 H PHE 82 H PHE 82 94.808 0.687 -4.486 651 HA PHE 82 HA PHE 82 95.802 -0.755 -6.876 652 HB2 PHE 82 HB2 PHE 82 93.708 -1.765 -6.065 653 HB3 PHE 82 HB1 PHE 82 92.916 -0.192 -6.142 654 HD1 PHE 82 HD2 PHE 82 94.888 -2.562 -8.278 655 HD2 PHE 82 HD1 PHE 82 91.814 0.434 -8.113 656 HE1 PHE 82 HE2 PHE 82 94.395 -2.935 -10.679 657 HE2 PHE 82 HE1 PHE 82 91.322 0.061 -10.514 658 HZ PHE 82 HZ PHE 82 92.611 -1.623 -11.797 659 H ALA 83 H ALA 83 93.302 1.707 -6.269 660 HA ALA 83 HA ALA 83 94.747 3.891 -7.326 661 HB1 ALA 83 HB1 ALA 83 93.464 4.095 -9.491 662 HB2 ALA 83 HB2 ALA 83 92.942 2.427 -9.260 663 HB3 ALA 83 HB3 ALA 83 94.655 2.796 -9.460 664 H GLY 84 H GLY 84 93.824 5.345 -6.019 665 HA2 GLY 84 HA2 GLY 84 91.190 5.224 -5.019 666 HA3 GLY 84 HA3 GLY 84 92.229 6.645 -4.988 667 H ILE 85 H ILE 85 89.699 7.236 -5.320 668 HA ILE 85 HA ILE 85 88.945 7.277 -8.130 669 HB ILE 85 HB ILE 85 87.674 8.377 -5.621 670 HG12 ILE 85 HG12 ILE 85 87.733 5.830 -6.289 671 HG13 ILE 85 HG13 ILE 85 86.223 6.548 -5.742 672 HG21 ILE 85 HG21 ILE 85 85.680 8.720 -7.204 673 HG22 ILE 85 HG22 ILE 85 86.853 8.617 -8.516 674 HG23 ILE 85 HG23 ILE 85 86.991 9.895 -7.309 675 HD11 ILE 85 HD11 ILE 85 86.878 6.562 -8.674 676 HD12 ILE 85 HD12 ILE 85 85.303 6.592 -7.883 677 HD13 ILE 85 HD13 ILE 85 86.239 5.099 -7.927 678 H LYS 86 H LYS 86 88.414 9.326 -9.217 679 HA LYS 86 HA LYS 86 90.483 11.327 -8.666 680 HB2 LYS 86 HB2 LYS 86 90.016 10.233 -10.968 681 HB3 LYS 86 HB3 LYS 86 88.650 11.344 -11.050 682 HG2 LYS 86 HG2 LYS 86 90.171 13.251 -10.682 683 HG3 LYS 86 HG3 LYS 86 91.541 12.146 -10.596 684 HD2 LYS 86 HD2 LYS 86 89.734 12.117 -13.007 685 HD3 LYS 86 HD3 LYS 86 91.005 13.331 -12.872 686 HE2 LYS 86 HE2 LYS 86 92.656 11.474 -12.495 687 HE3 LYS 86 HE3 LYS 86 91.363 10.321 -12.823 688 HZ1 LYS 86 HZ1 LYS 86 91.142 11.940 -14.924 689 HZ2 LYS 86 HZ2 LYS 86 92.095 10.532 -14.919 690 HZ3 LYS 86 HZ3 LYS 86 92.811 12.048 -14.646 691 H LYS 87 H LYS 87 87.117 11.582 -9.864 692 HA LYS 87 HA LYS 87 86.874 14.158 -8.495 693 HB2 LYS 87 HB2 LYS 87 84.895 12.781 -10.319 694 HB3 LYS 87 HB3 LYS 87 84.873 14.469 -9.808 695 HG2 LYS 87 HG2 LYS 87 87.335 14.443 -10.842 696 HG3 LYS 87 HG3 LYS 87 86.671 13.105 -11.777 697 HD2 LYS 87 HD2 LYS 87 86.120 14.906 -13.146 698 HD3 LYS 87 HD3 LYS 87 84.658 14.777 -12.169 699 HE2 LYS 87 HE2 LYS 87 85.486 16.527 -10.659 700 HE3 LYS 87 HE3 LYS 87 86.989 16.627 -11.575 701 HZ1 LYS 87 HZ1 LYS 87 84.981 16.884 -13.432 702 HZ2 LYS 87 HZ2 LYS 87 85.980 18.123 -12.837 703 HZ3 LYS 87 HZ3 LYS 87 84.470 17.826 -12.117 704 H LYS 88 H LYS 88 84.862 14.670 -7.336 705 HA LYS 88 HA LYS 88 84.386 12.815 -5.238 706 HB2 LYS 88 HB2 LYS 88 84.198 15.312 -5.043 707 HB3 LYS 88 HB3 LYS 88 82.705 15.218 -5.976 708 HG2 LYS 88 HG2 LYS 88 81.796 13.626 -4.266 709 HG3 LYS 88 HG3 LYS 88 83.252 13.885 -3.308 710 HD2 LYS 88 HD2 LYS 88 81.943 15.514 -2.341 711 HD3 LYS 88 HD3 LYS 88 82.555 16.461 -3.695 712 HE2 LYS 88 HE2 LYS 88 79.962 14.888 -3.756 713 HE3 LYS 88 HE3 LYS 88 80.066 16.614 -3.413 714 HZ1 LYS 88 HZ1 LYS 88 79.695 16.588 -5.665 715 HZ2 LYS 88 HZ2 LYS 88 80.616 15.184 -5.924 716 HZ3 LYS 88 HZ3 LYS 88 81.389 16.665 -5.616 717 H THR 89 H THR 89 82.288 13.971 -7.894 718 HA THR 89 HA THR 89 80.032 12.471 -7.357 719 HB THR 89 HB THR 89 79.654 12.465 -9.844 720 HG1 THR 89 HG1 THR 89 81.467 12.561 -10.904 721 HG21 THR 89 HG21 THR 89 79.580 14.974 -9.990 722 HG22 THR 89 HG22 THR 89 80.478 15.039 -8.475 723 HG23 THR 89 HG23 THR 89 78.865 14.328 -8.514 724 H GLU 90 H GLU 90 83.087 11.437 -8.726 725 HA GLU 90 HA GLU 90 82.209 8.909 -9.682 726 HB2 GLU 90 HB2 GLU 90 84.892 10.032 -8.904 727 HB3 GLU 90 HB3 GLU 90 84.715 8.331 -9.326 728 HG2 GLU 90 HG2 GLU 90 83.855 8.898 -11.510 729 HG3 GLU 90 HG3 GLU 90 83.781 10.608 -11.089 730 H ARG 91 H ARG 91 83.263 10.151 -6.585 731 HA ARG 91 HA ARG 91 83.366 7.574 -5.290 732 HB2 ARG 91 HB2 ARG 91 83.179 10.329 -4.044 733 HB3 ARG 91 HB3 ARG 91 83.677 8.841 -3.240 734 HG2 ARG 91 HG2 ARG 91 85.586 8.662 -4.828 735 HG3 ARG 91 HG3 ARG 91 85.117 10.212 -5.526 736 HD2 ARG 91 HD2 ARG 91 85.201 10.686 -2.764 737 HD3 ARG 91 HD3 ARG 91 86.610 9.680 -3.082 738 HE ARG 91 HE ARG 91 86.728 11.556 -5.054 739 HH11 ARG 91 HH21 ARG 91 86.372 11.657 -1.609 740 HH12 ARG 91 HH22 ARG 91 87.153 13.192 -1.438 741 HH21 ARG 91 HH11 ARG 91 87.756 13.567 -4.831 742 HH22 ARG 91 HH12 ARG 91 87.937 14.273 -3.260 743 H GLU 92 H GLU 92 81.134 10.357 -5.265 744 HA GLU 92 HA GLU 92 79.232 9.291 -3.500 745 HB2 GLU 92 HB2 GLU 92 79.317 11.663 -4.360 746 HB3 GLU 92 HB3 GLU 92 78.624 11.071 -5.871 747 HG2 GLU 92 HG2 GLU 92 76.667 10.218 -4.669 748 HG3 GLU 92 HG3 GLU 92 77.363 10.734 -3.134 749 H ASP 93 H ASP 93 79.242 9.244 -7.079 750 HA ASP 93 HA ASP 93 76.963 7.635 -7.393 751 HB2 ASP 93 HB2 ASP 93 79.432 7.909 -9.123 752 HB3 ASP 93 HB1 ASP 93 77.977 7.042 -9.615 753 H LEU 94 H LEU 94 80.407 6.718 -7.300 754 HA LEU 94 HA LEU 94 80.113 3.952 -7.514 755 HB2 LEU 94 HB2 LEU 94 82.309 5.017 -7.616 756 HB3 LEU 94 HB3 LEU 94 82.149 5.544 -5.943 757 HG LEU 94 HG LEU 94 82.131 3.243 -5.161 758 HD11 LEU 94 HD11 LEU 94 81.045 1.982 -6.797 759 HD12 LEU 94 HD12 LEU 94 82.725 1.495 -7.027 760 HD13 LEU 94 HD13 LEU 94 81.994 2.682 -8.108 761 HD21 LEU 94 HD21 LEU 94 84.324 4.542 -5.974 762 HD22 LEU 94 HD22 LEU 94 84.399 3.195 -7.109 763 HD23 LEU 94 HD23 LEU 94 84.399 2.887 -5.375 764 H ILE 95 H ILE 95 79.836 6.087 -4.740 765 HA ILE 95 HA ILE 95 79.619 3.957 -2.846 766 HB ILE 95 HB ILE 95 79.221 6.932 -2.683 767 HG12 ILE 95 HG12 ILE 95 81.145 5.183 -1.155 768 HG13 ILE 95 HG13 ILE 95 81.486 5.653 -2.816 769 HG21 ILE 95 HG21 ILE 95 79.194 6.259 -0.102 770 HG22 ILE 95 HG22 ILE 95 78.471 4.781 -0.737 771 HG23 ILE 95 HG23 ILE 95 77.700 6.338 -1.034 772 HD11 ILE 95 HD11 ILE 95 80.696 7.775 -0.862 773 HD12 ILE 95 HD12 ILE 95 81.732 7.889 -2.284 774 HD13 ILE 95 HD13 ILE 95 82.337 7.140 -0.811 775 H ALA 96 H ALA 96 77.419 5.799 -4.800 776 HA ALA 96 HA ALA 96 75.035 5.253 -3.373 777 HB1 ALA 96 HB1 ALA 96 75.300 5.594 -6.363 778 HB2 ALA 96 HB2 ALA 96 75.330 6.944 -5.229 779 HB3 ALA 96 HB3 ALA 96 73.889 5.937 -5.362 780 H TYR 97 H TYR 97 76.880 3.501 -5.806 781 HA TYR 97 HA TYR 97 74.924 1.409 -6.109 782 HB2 TYR 97 HB2 TYR 97 76.359 1.758 -7.984 783 HB3 TYR 97 HB3 TYR 97 77.805 1.682 -6.978 784 HD1 TYR 97 HD1 TYR 97 74.997 -0.317 -8.371 785 HD2 TYR 97 HD2 TYR 97 78.779 -0.416 -6.339 786 HE1 TYR 97 HE1 TYR 97 75.111 -2.769 -8.705 787 HE2 TYR 97 HE2 TYR 97 78.891 -2.870 -6.673 788 HH TYR 97 HH TYR 97 77.900 -4.545 -8.338 789 H LEU 98 H LEU 98 78.090 1.715 -4.490 790 HA LEU 98 HA LEU 98 78.316 -0.822 -3.417 791 HB2 LEU 98 HB2 LEU 98 79.149 1.881 -2.389 792 HB3 LEU 98 HB3 LEU 98 79.460 0.428 -1.445 793 HG LEU 98 HG LEU 98 80.257 0.554 -4.351 794 HD11 LEU 98 HD11 LEU 98 81.232 2.535 -3.160 795 HD12 LEU 98 HD12 LEU 98 82.437 1.397 -3.745 796 HD13 LEU 98 HD13 LEU 98 82.004 1.420 -2.036 797 HD21 LEU 98 HD21 LEU 98 81.358 -1.385 -3.891 798 HD22 LEU 98 HD22 LEU 98 80.304 -1.468 -2.480 799 HD23 LEU 98 HD23 LEU 98 81.929 -0.803 -2.330 800 H LYS 99 H LYS 99 76.115 1.729 -2.593 801 HA LYS 99 HA LYS 99 75.361 0.634 -0.028 802 HB2 LYS 99 HB2 LYS 99 74.404 2.886 -1.762 803 HB3 LYS 99 HB3 LYS 99 73.372 2.308 -0.454 804 HG2 LYS 99 HG2 LYS 99 75.345 2.592 1.106 805 HG3 LYS 99 HG3 LYS 99 76.192 3.390 -0.218 806 HD2 LYS 99 HD2 LYS 99 73.481 4.280 0.797 807 HD3 LYS 99 HD3 LYS 99 75.000 4.959 1.376 808 HE2 LYS 99 HE2 LYS 99 75.541 5.410 -1.104 809 HE3 LYS 99 HE3 LYS 99 73.831 5.102 -1.403 810 HZ1 LYS 99 HZ1 LYS 99 74.821 7.489 -0.746 811 HZ2 LYS 99 HZ2 LYS 99 74.401 6.901 0.792 812 HZ3 LYS 99 HZ3 LYS 99 73.225 7.012 -0.429 813 H LYS 100 H LYS 100 73.929 0.761 -3.281 814 HA LYS 100 HA LYS 100 71.632 -0.802 -2.535 815 HB2 LYS 100 HB2 LYS 100 71.800 0.880 -4.460 816 HB3 LYS 100 HB3 LYS 100 72.657 -0.383 -5.340 817 HG2 LYS 100 HG2 LYS 100 70.684 -1.912 -4.821 818 HG3 LYS 100 HG3 LYS 100 69.831 -0.475 -4.264 819 HD2 LYS 100 HD2 LYS 100 69.181 -0.682 -6.530 820 HD3 LYS 100 HD3 LYS 100 70.437 0.553 -6.553 821 HE2 LYS 100 HE2 LYS 100 72.035 -0.908 -7.471 822 HE3 LYS 100 HE3 LYS 100 71.152 -2.347 -6.962 823 HZ1 LYS 100 HZ1 LYS 100 69.514 -1.979 -8.597 824 HZ2 LYS 100 HZ2 LYS 100 71.008 -1.789 -9.383 825 HZ3 LYS 100 HZ3 LYS 100 70.092 -0.424 -8.951 826 H ALA 101 H ALA 101 74.863 -1.512 -3.434 827 HA ALA 101 HA ALA 101 74.286 -4.196 -4.394 828 HB1 ALA 101 HB1 ALA 101 76.176 -2.733 -5.262 829 HB2 ALA 101 HB2 ALA 101 76.627 -4.376 -4.804 830 HB3 ALA 101 HB3 ALA 101 76.989 -3.028 -3.725 831 H THR 102 H THR 102 75.437 -2.605 -1.477 832 HA THR 102 HA THR 102 75.992 -5.167 -0.179 833 HB THR 102 HB THR 102 76.691 -3.762 1.735 834 HG1 THR 102 HG1 THR 102 76.665 -1.416 0.439 835 HG21 THR 102 HG21 THR 102 78.547 -2.553 0.503 836 HG22 THR 102 HG22 THR 102 77.764 -3.046 -0.997 837 HG23 THR 102 HG23 THR 102 78.382 -4.266 0.114 838 H ASN 103 H ASN 103 73.338 -3.349 -0.828 839 HA ASN 103 HA ASN 103 71.955 -4.006 1.696 840 HB2 ASN 103 HB2 ASN 103 71.398 -2.032 -0.514 841 HB3 ASN 103 HB1 ASN 103 70.181 -2.468 0.676 842 HD21 ASN 103 HD21 ASN 103 73.606 -2.327 1.527 843 HD22 ASN 103 HD22 ASN 103 73.478 -0.951 2.509 844 H GLU 104 H GLU 104 72.183 -4.736 -1.669 845 HA GLU 104 HA GLU 104 70.857 -5.997 -3.099 846 HB2 GLU 104 HB2 GLU 104 70.985 -7.681 -0.589 847 HB3 GLU 104 HB3 GLU 104 70.469 -8.283 -2.165 848 HG2 GLU 104 HG2 GLU 104 72.695 -7.423 -3.073 849 HG3 GLU 104 HG3 GLU 104 73.187 -7.205 -1.394 850 HHA HEC 201 HA HEC 105 89.349 -3.487 3.232 851 HHB HEC 201 HB HEC 105 85.479 -0.018 -0.370 852 HHC HEC 201 HC HEC 105 88.768 -1.712 -5.502 853 HHD HEC 201 HD HEC 105 92.171 -5.715 -1.974 854 HMA1 HEC 201 HMA1 HEC 105 85.024 -0.576 3.313 855 HMA2 HEC 201 HMA2 HEC 105 84.567 -0.263 1.642 856 HMA3 HEC 201 HMA3 HEC 105 85.699 0.813 2.462 857 HAA1 HEC 201 HAA1 HEC 105 86.826 -0.991 4.544 858 HAA2 HEC 201 HAA2 HEC 105 88.410 -1.741 4.487 859 HBA1 HEC 201 HBA1 HEC 105 87.539 -3.902 4.653 860 HBA2 HEC 201 HBA2 HEC 105 85.935 -3.407 4.123 861 HMB1 HEC 201 HMB1 HEC 105 84.041 0.104 -2.752 862 HMB2 HEC 201 HMB2 HEC 105 84.793 1.247 -3.856 863 HMB3 HEC 201 HMB3 HEC 105 84.999 1.440 -2.118 864 HAB HEC 201 HAB HEC 105 87.265 -0.497 -6.146 865 HBB1 HEC 201 HBB1 HEC 105 86.645 2.043 -4.682 866 HBB2 HEC 201 HBB2 HEC 105 87.921 1.707 -5.846 867 HBB3 HEC 201 HBB3 HEC 105 86.262 1.939 -6.398 868 HMC1 HEC 201 HMC1 HEC 105 91.120 -4.272 -6.903 869 HMC2 HEC 201 HMC2 HEC 105 91.359 -2.550 -6.621 870 HMC3 HEC 201 HMC3 HEC 105 89.734 -3.191 -6.849 871 HAC HEC 201 HAC HEC 105 92.596 -6.137 -3.904 872 HBC1 HEC 201 HBC1 HEC 105 93.677 -5.639 -6.318 873 HBC2 HEC 201 HBC2 HEC 105 94.267 -4.868 -4.846 874 HBC3 HEC 201 HBC3 HEC 105 93.160 -4.005 -5.910 875 HMD1 HEC 201 HMD1 HEC 105 93.427 -6.230 -0.193 876 HMD2 HEC 201 HMD2 HEC 105 92.295 -7.449 0.394 877 HMD3 HEC 201 HMD3 HEC 105 93.257 -6.511 1.534 878 HAD1 HEC 201 HAD1 HEC 105 91.936 -6.246 3.197 879 HAD2 HEC 201 HAD2 HEC 105 90.404 -5.554 3.689 880 HBD1 HEC 201 HBD1 HEC 105 91.620 -3.297 3.751 881 HBD2 HEC 201 HBD2 HEC 105 93.110 -4.230 3.646 882 H1 HOH 301 H2 HOH 200 81.532 3.046 -0.678 883 H2 HOH 301 H1 HOH 200 80.296 2.193 -0.488 884 H1 HOH 302 H2 HOH 201 86.439 4.659 5.792 885 H2 HOH 302 H1 HOH 201 85.176 4.852 6.603 886 H1 HOH 303 H2 HOH 202 82.356 -5.181 5.074 887 H2 HOH 303 H1 HOH 202 83.598 -6.027 5.247 888 H1 HOH 304 H2 HOH 203 83.541 -9.827 0.729 889 H2 HOH 304 H1 HOH 203 82.729 -9.506 -0.506 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 72.701 11.081 -7.142 2 H2 GLY 1 H2 GLY 1 73.727 11.422 -5.832 3 H3 GLY 1 H3 GLY 1 72.475 10.285 -5.660 4 HA2 GLY 1 HA2 GLY 1 75.043 10.029 -7.076 5 HA3 GLY 1 HA3 GLY 1 74.286 8.917 -5.935 6 H ASP 2 H ASP 2 75.282 8.228 -8.541 7 HA ASP 2 HA ASP 2 72.762 7.476 -9.912 8 HB2 ASP 2 HB2 ASP 2 75.490 7.839 -11.165 9 HB3 ASP 2 HB1 ASP 2 73.983 7.468 -12.001 10 H VAL 3 H VAL 3 72.554 5.557 -8.728 11 HA VAL 3 HA VAL 3 74.457 3.636 -8.194 12 HB VAL 3 HB VAL 3 72.192 3.443 -7.350 13 HG11 VAL 3 HG11 VAL 3 70.984 4.404 -9.237 14 HG12 VAL 3 HG12 VAL 3 70.345 2.795 -8.902 15 HG13 VAL 3 HG13 VAL 3 71.441 3.044 -10.262 16 HG21 VAL 3 HG21 VAL 3 73.587 1.362 -7.799 17 HG22 VAL 3 HG22 VAL 3 72.639 1.141 -9.269 18 HG23 VAL 3 HG23 VAL 3 71.849 1.092 -7.692 19 H GLU 4 H GLU 4 73.248 4.652 -11.239 20 HA GLU 4 HA GLU 4 73.773 2.230 -12.691 21 HB2 GLU 4 HB2 GLU 4 73.473 5.086 -13.651 22 HB3 GLU 4 HB3 GLU 4 73.512 3.663 -14.693 23 HG2 GLU 4 HG2 GLU 4 71.537 2.758 -13.459 24 HG3 GLU 4 HG3 GLU 4 71.465 4.260 -12.540 25 H LYS 5 H LYS 5 75.440 5.396 -12.675 26 HA LYS 5 HA LYS 5 77.746 4.339 -14.012 27 HB2 LYS 5 HB2 LYS 5 77.053 6.952 -12.698 28 HB3 LYS 5 HB3 LYS 5 78.731 6.608 -13.119 29 HG2 LYS 5 HG2 LYS 5 78.262 6.470 -15.418 30 HG3 LYS 5 HG3 LYS 5 76.541 6.204 -15.151 31 HD2 LYS 5 HD2 LYS 5 77.749 8.779 -14.198 32 HD3 LYS 5 HD3 LYS 5 77.441 8.582 -15.923 33 HE2 LYS 5 HE2 LYS 5 75.106 8.210 -15.559 34 HE3 LYS 5 HE3 LYS 5 75.336 8.033 -13.821 35 HZ1 LYS 5 HZ1 LYS 5 75.354 10.231 -13.524 36 HZ2 LYS 5 HZ2 LYS 5 74.640 10.319 -15.062 37 HZ3 LYS 5 HZ3 LYS 5 76.319 10.520 -14.889 38 H GLY 6 H GLY 6 76.639 4.393 -10.781 39 HA2 GLY 6 HA2 GLY 6 79.179 4.264 -9.463 40 HA3 GLY 6 HA3 GLY 6 77.622 3.798 -8.772 41 H LYS 7 H LYS 7 76.898 1.980 -10.835 42 HA LYS 7 HA LYS 7 78.157 -0.397 -9.895 43 HB2 LYS 7 HB2 LYS 7 75.795 -0.223 -10.765 44 HB3 LYS 7 HB3 LYS 7 76.470 -0.063 -12.385 45 HG2 LYS 7 HG2 LYS 7 77.790 -2.260 -11.714 46 HG3 LYS 7 HG3 LYS 7 76.478 -2.443 -10.554 47 HD2 LYS 7 HD2 LYS 7 75.580 -3.556 -12.387 48 HD3 LYS 7 HD3 LYS 7 74.957 -1.929 -12.663 49 HE2 LYS 7 HE2 LYS 7 76.884 -1.464 -14.159 50 HE3 LYS 7 HE3 LYS 7 77.459 -3.112 -13.908 51 HZ1 LYS 7 HZ1 LYS 7 75.912 -3.943 -15.272 52 HZ2 LYS 7 HZ2 LYS 7 75.790 -2.357 -15.872 53 HZ3 LYS 7 HZ3 LYS 7 74.691 -2.915 -14.701 54 H LYS 8 H LYS 8 78.399 1.538 -12.867 55 HA LYS 8 HA LYS 8 80.100 -0.158 -14.320 56 HB2 LYS 8 HB2 LYS 8 79.005 1.762 -15.346 57 HB3 LYS 8 HB3 LYS 8 79.929 2.864 -14.327 58 HG2 LYS 8 HG2 LYS 8 81.565 0.925 -15.866 59 HG3 LYS 8 HG3 LYS 8 80.696 2.102 -16.848 60 HD2 LYS 8 HD2 LYS 8 82.255 3.015 -14.436 61 HD3 LYS 8 HD3 LYS 8 83.082 2.709 -15.960 62 HE2 LYS 8 HE2 LYS 8 81.917 4.410 -17.083 63 HE3 LYS 8 HE3 LYS 8 80.614 4.435 -15.894 64 HZ1 LYS 8 HZ1 LYS 8 81.707 5.909 -14.675 65 HZ2 LYS 8 HZ2 LYS 8 82.808 6.081 -15.957 66 HZ3 LYS 8 HZ3 LYS 8 83.133 4.993 -14.694 67 H ILE 9 H ILE 9 80.909 2.568 -12.177 68 HA ILE 9 HA ILE 9 83.711 2.291 -12.395 69 HB ILE 9 HB ILE 9 82.030 3.490 -10.184 70 HG12 ILE 9 HG12 ILE 9 83.555 4.911 -12.375 71 HG13 ILE 9 HG13 ILE 9 81.878 4.406 -12.589 72 HG21 ILE 9 HG21 ILE 9 84.994 3.643 -10.801 73 HG22 ILE 9 HG22 ILE 9 84.243 3.028 -9.330 74 HG23 ILE 9 HG23 ILE 9 84.168 4.749 -9.704 75 HD11 ILE 9 HD11 ILE 9 82.116 6.769 -11.769 76 HD12 ILE 9 HD12 ILE 9 82.843 6.133 -10.294 77 HD13 ILE 9 HD13 ILE 9 81.171 5.740 -10.694 78 H PHE 10 H PHE 10 81.333 0.580 -10.537 79 HA PHE 10 HA PHE 10 83.190 -0.414 -8.568 80 HB2 PHE 10 HB2 PHE 10 81.020 -0.377 -7.738 81 HB3 PHE 10 HB1 PHE 10 80.322 -0.946 -9.255 82 HD1 PHE 10 HD2 PHE 10 82.131 -1.945 -6.200 83 HD2 PHE 10 HD1 PHE 10 80.276 -3.305 -9.822 84 HE1 PHE 10 HE2 PHE 10 82.247 -4.284 -5.382 85 HE2 PHE 10 HE1 PHE 10 80.384 -5.642 -9.004 86 HZ PHE 10 HZ PHE 10 81.370 -6.133 -6.784 87 H VAL 11 H VAL 11 81.468 -1.926 -11.310 88 HA VAL 11 HA VAL 11 82.573 -4.469 -11.100 89 HB VAL 11 HB VAL 11 82.047 -4.715 -13.511 90 HG11 VAL 11 HG11 VAL 11 79.692 -4.492 -13.236 91 HG12 VAL 11 HG12 VAL 11 79.879 -3.163 -12.096 92 HG13 VAL 11 HG13 VAL 11 80.328 -4.799 -11.621 93 HG21 VAL 11 HG21 VAL 11 81.129 -2.817 -14.735 94 HG22 VAL 11 HG22 VAL 11 82.735 -2.390 -14.146 95 HG23 VAL 11 HG23 VAL 11 81.302 -1.786 -13.317 96 H GLN 12 H GLN 12 83.937 -1.543 -12.416 97 HA GLN 12 HA GLN 12 86.187 -3.041 -13.554 98 HB2 GLN 12 HB2 GLN 12 86.832 -0.985 -14.608 99 HB3 GLN 12 HB1 GLN 12 85.100 -1.217 -14.844 100 HG2 GLN 12 HG2 GLN 12 84.700 0.256 -12.844 101 HG3 GLN 12 HG1 GLN 12 86.432 0.591 -12.816 102 HE21 GLN 12 HE21 GLN 12 85.780 0.154 -16.017 103 HE22 GLN 12 HE22 GLN 12 85.439 1.753 -16.464 104 H LYS 13 H LYS 13 85.474 -1.024 -10.766 105 HA LYS 13 HA LYS 13 88.356 -0.803 -10.194 106 HB2 LYS 13 HB2 LYS 13 85.975 0.585 -8.970 107 HB3 LYS 13 HB3 LYS 13 87.619 0.750 -8.370 108 HG2 LYS 13 HG2 LYS 13 88.090 1.264 -10.974 109 HG3 LYS 13 HG3 LYS 13 86.415 1.799 -10.891 110 HD2 LYS 13 HD2 LYS 13 86.915 3.373 -9.146 111 HD3 LYS 13 HD3 LYS 13 88.538 2.715 -8.938 112 HE2 LYS 13 HE2 LYS 13 89.243 3.523 -11.072 113 HE3 LYS 13 HE3 LYS 13 87.589 3.905 -11.548 114 HZ1 LYS 13 HZ1 LYS 13 88.667 5.163 -9.133 115 HZ2 LYS 13 HZ2 LYS 13 87.539 5.761 -10.255 116 HZ3 LYS 13 HZ3 LYS 13 89.194 5.744 -10.636 117 H CYS 14 H CYS 14 85.474 -1.423 -8.134 118 HA CYS 14 HA CYS 14 87.176 -2.742 -6.208 119 HB2 CYS 14 HB2 CYS 14 84.208 -2.736 -5.968 120 HB3 CYS 14 HB1 CYS 14 85.431 -2.548 -4.715 121 H ALA 15 H ALA 15 84.732 -3.880 -8.517 122 HA ALA 15 HA ALA 15 84.238 -6.394 -7.518 123 HB1 ALA 15 HB1 ALA 15 84.267 -7.091 -10.040 124 HB2 ALA 15 HB2 ALA 15 84.525 -5.369 -10.319 125 HB3 ALA 15 HB3 ALA 15 83.078 -5.919 -9.474 126 H GLN 16 H GLN 16 87.195 -5.177 -8.892 127 HA GLN 16 HA GLN 16 88.548 -7.444 -9.658 128 HB2 GLN 16 HB2 GLN 16 89.374 -4.848 -8.451 129 HB3 GLN 16 HB1 GLN 16 90.580 -6.133 -8.520 130 HG2 GLN 16 HG2 GLN 16 90.197 -6.377 -10.939 131 HG3 GLN 16 HG1 GLN 16 88.970 -5.113 -10.879 132 HE21 GLN 16 HE21 GLN 16 92.200 -5.246 -9.289 133 HE22 GLN 16 HE22 GLN 16 92.774 -3.822 -10.012 134 H CYS 17 H CYS 17 88.565 -6.090 -6.330 135 HA CYS 17 HA CYS 17 89.053 -8.841 -5.348 136 HB2 CYS 17 HB2 CYS 17 90.252 -6.660 -3.752 137 HB3 CYS 17 HB1 CYS 17 90.894 -8.247 -4.153 138 H HIS 18 H HSD 18 86.490 -8.044 -5.394 139 HA HIS 18 HA HSD 18 85.857 -7.894 -2.569 140 HB2 HIS 18 HB2 HSD 18 85.309 -5.590 -4.413 141 HB3 HIS 18 HB1 HSD 18 84.197 -5.937 -3.092 142 HD1 HIS 18 HD1 HSD 18 85.118 -5.703 -0.653 143 HD2 HIS 18 HD2 HSD 18 87.823 -4.574 -3.611 144 HE1 HIS 18 HE1 HSD 18 86.978 -4.442 0.520 145 H THR 19 H THR 19 83.266 -7.535 -2.481 146 HA THR 19 HA THR 19 81.995 -9.161 -4.581 147 HB THR 19 HB THR 19 80.994 -9.920 -1.971 148 HG1 THR 19 HG1 THR 19 83.282 -11.118 -1.883 149 HG21 THR 19 HG21 THR 19 81.602 -12.177 -2.819 150 HG22 THR 19 HG22 THR 19 82.440 -11.418 -4.174 151 HG23 THR 19 HG23 THR 19 80.694 -11.240 -4.005 152 H VAL 20 H VAL 20 81.616 -7.165 -1.688 153 HA VAL 20 HA VAL 20 79.858 -5.884 -0.931 154 HB VAL 20 HB VAL 20 79.204 -4.150 -2.496 155 HG11 VAL 20 HG11 VAL 20 81.365 -3.788 -1.608 156 HG12 VAL 20 HG12 VAL 20 81.570 -3.573 -3.342 157 HG13 VAL 20 HG13 VAL 20 82.077 -5.077 -2.577 158 HG21 VAL 20 HG21 VAL 20 78.885 -5.776 -4.431 159 HG22 VAL 20 HG22 VAL 20 80.635 -5.737 -4.636 160 HG23 VAL 20 HG23 VAL 20 79.690 -4.264 -4.837 161 H GLU 21 H GLU 21 79.017 -8.562 -1.657 162 HA GLU 21 HA GLU 21 76.195 -7.944 -2.263 163 HB2 GLU 21 HB2 GLU 21 75.964 -9.760 -3.747 164 HB3 GLU 21 HB3 GLU 21 77.466 -8.979 -4.236 165 HG2 GLU 21 HG2 GLU 21 78.611 -10.657 -2.615 166 HG3 GLU 21 HG3 GLU 21 77.091 -11.546 -2.711 167 H LYS 22 H LYS 22 75.026 -8.447 -0.559 168 HA LYS 22 HA LYS 22 75.836 -9.814 1.695 169 HB2 LYS 22 HB2 LYS 22 73.578 -9.793 2.387 170 HB3 LYS 22 HB3 LYS 22 73.733 -8.396 1.325 171 HG2 LYS 22 HG2 LYS 22 71.839 -9.322 0.389 172 HG3 LYS 22 HG3 LYS 22 73.051 -10.203 -0.534 173 HD2 LYS 22 HD2 LYS 22 71.991 -12.074 0.208 174 HD3 LYS 22 HD3 LYS 22 72.809 -11.769 1.738 175 HE2 LYS 22 HE2 LYS 22 70.047 -10.779 0.966 176 HE3 LYS 22 HE3 LYS 22 70.406 -12.067 2.117 177 HZ1 LYS 22 HZ1 LYS 22 70.105 -10.193 3.432 178 HZ2 LYS 22 HZ2 LYS 22 70.943 -9.174 2.362 179 HZ3 LYS 22 HZ3 LYS 22 71.793 -10.307 3.301 180 H GLY 23 H GLY 23 75.543 -11.901 2.491 181 HA2 GLY 23 HA2 GLY 23 75.600 -14.196 2.382 182 HA3 GLY 23 HA3 GLY 23 74.283 -14.042 1.224 183 H GLY 24 H GLY 24 77.332 -12.532 0.532 184 HA2 GLY 24 HA2 GLY 24 77.697 -14.332 -1.750 185 HA3 GLY 24 HA3 GLY 24 78.516 -12.796 -1.490 186 H LYS 25 H LYS 25 80.601 -13.456 -1.695 187 HA LYS 25 HA LYS 25 81.708 -14.975 0.532 188 HB2 LYS 25 HB2 LYS 25 83.064 -16.374 -1.136 189 HB3 LYS 25 HB3 LYS 25 81.375 -16.822 -0.908 190 HG2 LYS 25 HG2 LYS 25 81.807 -14.789 -3.013 191 HG3 LYS 25 HG3 LYS 25 82.545 -16.352 -3.358 192 HD2 LYS 25 HD2 LYS 25 80.437 -17.491 -3.105 193 HD3 LYS 25 HD3 LYS 25 79.663 -16.034 -2.483 194 HE2 LYS 25 HE2 LYS 25 80.915 -16.124 -5.230 195 HE3 LYS 25 HE3 LYS 25 79.237 -16.593 -4.953 196 HZ1 LYS 25 HZ1 LYS 25 79.417 -14.263 -5.566 197 HZ2 LYS 25 HZ2 LYS 25 80.442 -13.972 -4.242 198 HZ3 LYS 25 HZ3 LYS 25 78.824 -14.422 -3.986 199 H HIS 26 H HIS 26 83.292 -13.717 1.247 200 HA HIS 26 HA HIS 26 84.413 -11.549 -0.086 201 HB2 HIS 26 HB2 HIS 26 86.405 -12.136 1.627 202 HB3 HIS 26 HB1 HIS 26 84.886 -11.410 2.150 203 HD1 HIS 26 HD1 HIS 26 85.533 -15.042 1.206 204 HD2 HIS 26 HD2 HIS 26 84.390 -12.778 4.514 205 HE1 HIS 26 HE1 HIS 26 84.929 -16.692 3.030 206 HE2 HIS 26 HE2 HIS 26 84.228 -15.327 5.053 207 H LYS 27 H LYS 27 85.667 -11.449 -1.811 208 HA LYS 27 HA LYS 27 87.465 -13.724 -2.420 209 HB2 LYS 27 HB2 LYS 27 86.556 -11.705 -4.456 210 HB3 LYS 27 HB3 LYS 27 87.134 -13.352 -4.708 211 HG2 LYS 27 HG2 LYS 27 85.047 -14.088 -3.372 212 HG3 LYS 27 HG3 LYS 27 84.458 -12.447 -3.645 213 HD2 LYS 27 HD2 LYS 27 83.575 -13.568 -5.496 214 HD3 LYS 27 HD3 LYS 27 85.081 -12.932 -6.153 215 HE2 LYS 27 HE2 LYS 27 85.955 -15.307 -5.130 216 HE3 LYS 27 HE3 LYS 27 84.306 -15.736 -5.583 217 HZ1 LYS 27 HZ1 LYS 27 86.188 -15.914 -7.319 218 HZ2 LYS 27 HZ2 LYS 27 86.001 -14.231 -7.460 219 HZ3 LYS 27 HZ3 LYS 27 84.693 -15.265 -7.786 220 H THR 28 H THR 28 89.517 -13.264 -1.947 221 HA THR 28 HA THR 28 91.413 -12.022 -1.477 222 HB THR 28 HB THR 28 90.796 -10.539 -4.018 223 HG1 THR 28 HG1 THR 28 91.221 -12.334 -5.169 224 HG21 THR 28 HG21 THR 28 93.133 -10.536 -4.304 225 HG22 THR 28 HG22 THR 28 93.360 -11.890 -3.197 226 HG23 THR 28 HG23 THR 28 92.941 -10.296 -2.568 227 H GLY 29 H GLY 29 88.841 -10.920 -0.499 228 HA2 GLY 29 HA2 GLY 29 89.774 -8.480 0.555 229 HA3 GLY 29 HA3 GLY 29 88.680 -8.133 -0.782 230 HA PRO 30 HA PRO 30 86.364 -9.326 3.220 231 HB2 PRO 30 HB2 PRO 30 85.835 -6.876 4.288 232 HB3 PRO 30 HB1 PRO 30 87.307 -7.792 4.672 233 HG2 PRO 30 HG2 PRO 30 86.934 -5.525 2.771 234 HG3 PRO 30 HG1 PRO 30 88.263 -5.842 3.899 235 HD2 PRO 30 HD2 PRO 30 88.416 -6.400 1.214 236 HD3 PRO 30 HD1 PRO 30 89.323 -7.301 2.450 237 H ASN 31 H ASN 31 84.071 -8.948 3.616 238 HA ASN 31 HA ASN 31 82.668 -8.100 1.190 239 HB2 ASN 31 HB2 ASN 31 80.792 -9.284 2.042 240 HB3 ASN 31 HB1 ASN 31 82.192 -10.286 2.418 241 HD21 ASN 31 HD21 ASN 31 82.665 -10.683 4.632 242 HD22 ASN 31 HD22 ASN 31 81.744 -10.047 5.908 243 H LEU 32 H LEU 32 81.929 -6.079 1.036 244 HA LEU 32 HA LEU 32 81.846 -4.325 3.308 245 HB2 LEU 32 HB2 LEU 32 80.672 -3.675 0.619 246 HB3 LEU 32 HB3 LEU 32 81.417 -2.591 1.787 247 HG LEU 32 HG LEU 32 82.775 -4.612 -0.005 248 HD11 LEU 32 HD11 LEU 32 82.227 -1.883 -0.270 249 HD12 LEU 32 HD12 LEU 32 83.418 -2.796 -1.195 250 HD13 LEU 32 HD13 LEU 32 83.909 -1.926 0.256 251 HD21 LEU 32 HD21 LEU 32 83.921 -4.955 2.031 252 HD22 LEU 32 HD22 LEU 32 83.762 -3.268 2.508 253 HD23 LEU 32 HD23 LEU 32 84.881 -3.717 1.226 254 H HIS 33 H HIS 33 80.005 -6.615 3.420 255 HA HIS 33 HA HIS 33 77.344 -5.874 2.869 256 HB2 HIS 33 HB2 HIS 33 78.401 -7.631 5.101 257 HB3 HIS 33 HB1 HIS 33 76.722 -7.554 4.569 258 HD1 HIS 33 HD1 HIS 33 78.232 -10.217 4.344 259 HD2 HIS 33 HD2 HIS 33 78.066 -7.415 1.262 260 HE1 HIS 33 HE1 HIS 33 78.676 -11.487 2.198 261 HE2 HIS 33 HE2 HIS 33 78.576 -9.793 0.310 262 H GLY 34 H GLY 34 75.844 -4.669 3.977 263 HA2 GLY 34 HA2 GLY 34 75.259 -2.809 5.270 264 HA3 GLY 34 HA3 GLY 34 75.579 -3.963 6.561 265 H LEU 35 H LEU 35 78.070 -2.855 4.407 266 HA LEU 35 HA LEU 35 80.005 -2.253 6.224 267 HB2 LEU 35 HB2 LEU 35 80.435 -2.294 3.845 268 HB3 LEU 35 HB3 LEU 35 79.397 -0.896 3.589 269 HG LEU 35 HG LEU 35 81.103 0.192 5.365 270 HD11 LEU 35 HD11 LEU 35 83.304 -0.651 5.219 271 HD12 LEU 35 HD12 LEU 35 82.921 -1.642 3.815 272 HD13 LEU 35 HD13 LEU 35 82.312 -2.098 5.405 273 HD21 LEU 35 HD21 LEU 35 80.580 0.938 3.012 274 HD22 LEU 35 HD22 LEU 35 81.836 -0.164 2.447 275 HD23 LEU 35 HD23 LEU 35 82.259 1.193 3.490 276 H PHE 36 H PHE 36 77.840 0.174 4.784 277 HA PHE 36 HA PHE 36 78.644 2.372 6.258 278 HB2 PHE 36 HB2 PHE 36 75.791 1.839 5.410 279 HB3 PHE 36 HB1 PHE 36 76.575 3.405 5.624 280 HD1 PHE 36 HD2 PHE 36 76.559 0.308 3.557 281 HD2 PHE 36 HD1 PHE 36 77.923 4.371 3.892 282 HE1 PHE 36 HE2 PHE 36 77.350 0.238 1.210 283 HE2 PHE 36 HE1 PHE 36 78.702 4.301 1.550 284 HZ PHE 36 HZ PHE 36 78.418 2.239 0.202 285 H GLY 37 H GLY 37 79.031 1.944 8.444 286 HA2 GLY 37 HA2 GLY 37 77.535 2.639 10.433 287 HA3 GLY 37 HA3 GLY 37 76.701 1.138 10.071 288 H ARG 38 H ARG 38 79.311 -0.201 9.368 289 HA ARG 38 HA ARG 38 79.961 -0.972 12.106 290 HB2 ARG 38 HB2 ARG 38 80.303 -2.146 9.413 291 HB3 ARG 38 HB3 ARG 38 81.577 -2.521 10.572 292 HG2 ARG 38 HG2 ARG 38 79.736 -3.182 12.204 293 HG3 ARG 38 HG3 ARG 38 78.610 -3.060 10.853 294 HD2 ARG 38 HD2 ARG 38 81.050 -4.658 10.324 295 HD3 ARG 38 HD3 ARG 38 79.946 -5.345 11.506 296 HE ARG 38 HE ARG 38 78.186 -4.930 9.660 297 HH11 ARG 38 HH21 ARG 38 81.531 -5.717 9.104 298 HH12 ARG 38 HH22 ARG 38 81.225 -6.501 7.592 299 HH21 ARG 38 HH11 ARG 38 77.803 -5.978 7.694 300 HH22 ARG 38 HH12 ARG 38 79.124 -6.655 6.801 301 H LYS 39 H LYS 39 82.064 -1.059 12.970 302 HA LYS 39 HA LYS 39 83.687 1.226 12.372 303 HB2 LYS 39 HB2 LYS 39 83.725 -0.985 14.369 304 HB3 LYS 39 HB3 LYS 39 85.234 -0.122 14.083 305 HG2 LYS 39 HG2 LYS 39 82.708 1.450 14.522 306 HG3 LYS 39 HG3 LYS 39 83.540 0.754 15.910 307 HD2 LYS 39 HD2 LYS 39 85.655 1.874 15.114 308 HD3 LYS 39 HD3 LYS 39 84.693 2.691 13.883 309 HE2 LYS 39 HE2 LYS 39 84.639 3.041 16.864 310 HE3 LYS 39 HE3 LYS 39 84.676 4.269 15.599 311 HZ1 LYS 39 HZ1 LYS 39 82.379 2.490 16.215 312 HZ2 LYS 39 HZ2 LYS 39 82.415 3.678 15.001 313 HZ3 LYS 39 HZ3 LYS 39 82.499 4.127 16.638 314 H THR 40 H THR 40 86.089 1.023 12.071 315 HA THR 40 HA THR 40 86.658 -0.359 9.681 316 HB THR 40 HB THR 40 89.059 0.291 10.232 317 HG1 THR 40 HG1 THR 40 87.792 1.736 12.300 318 HG21 THR 40 HG21 THR 40 87.861 1.750 8.810 319 HG22 THR 40 HG22 THR 40 88.438 2.795 10.109 320 HG23 THR 40 HG23 THR 40 86.764 2.242 10.101 321 H GLY 41 H GLY 41 87.840 -2.158 9.215 322 HA2 GLY 41 HA2 GLY 41 88.428 -4.361 9.514 323 HA3 GLY 41 HA3 GLY 41 89.453 -3.706 10.787 324 H GLN 42 H GLN 42 85.925 -4.095 10.456 325 HA GLN 42 HA GLN 42 85.930 -5.528 13.052 326 HB2 GLN 42 HB2 GLN 42 84.802 -3.254 12.963 327 HB3 GLN 42 HB1 GLN 42 83.616 -3.984 11.880 328 HG2 GLN 42 HG2 GLN 42 83.007 -5.625 13.566 329 HG3 GLN 42 HG1 GLN 42 84.284 -5.049 14.636 330 HE21 GLN 42 HE21 GLN 42 81.145 -4.156 13.201 331 HE22 GLN 42 HE22 GLN 42 80.808 -2.918 14.313 332 H ALA 43 H ALA 43 85.108 -5.670 9.714 333 HA ALA 43 HA ALA 43 83.007 -7.542 9.787 334 HB1 ALA 43 HB1 ALA 43 84.618 -6.275 7.804 335 HB2 ALA 43 HB2 ALA 43 83.089 -7.124 7.585 336 HB3 ALA 43 HB3 ALA 43 84.611 -8.006 7.470 337 HA PRO 44 HA PRO 44 85.529 -11.017 11.124 338 HB2 PRO 44 HB2 PRO 44 83.550 -12.838 11.402 339 HB3 PRO 44 HB1 PRO 44 83.744 -11.487 12.536 340 HG2 PRO 44 HG2 PRO 44 81.835 -11.790 10.266 341 HG3 PRO 44 HG1 PRO 44 81.565 -11.120 11.884 342 HD2 PRO 44 HD2 PRO 44 82.006 -9.575 9.632 343 HD3 PRO 44 HD1 PRO 44 82.345 -9.036 11.292 344 H GLY 45 H GLY 45 86.806 -11.850 9.528 345 HA2 GLY 45 HA2 GLY 45 86.274 -14.081 8.067 346 HA3 GLY 45 HA3 GLY 45 85.715 -12.782 7.019 347 H PHE 46 H PHE 46 87.278 -11.093 6.450 348 HA PHE 46 HA PHE 46 89.769 -12.223 5.633 349 HB2 PHE 46 HB2 PHE 46 88.341 -10.343 4.524 350 HB3 PHE 46 HB1 PHE 46 89.210 -9.269 5.621 351 HD1 PHE 46 HD2 PHE 46 89.778 -11.992 3.112 352 HD2 PHE 46 HD1 PHE 46 91.356 -8.498 5.050 353 HE1 PHE 46 HE2 PHE 46 91.738 -12.037 1.595 354 HE2 PHE 46 HE1 PHE 46 93.317 -8.543 3.531 355 HZ PHE 46 HZ PHE 46 93.507 -10.312 1.804 356 H THR 47 H THR 47 91.888 -11.471 6.178 357 HA THR 47 HA THR 47 92.213 -11.006 9.015 358 HB THR 47 HB THR 47 94.402 -11.067 6.941 359 HG1 THR 47 HG1 THR 47 92.842 -13.121 8.045 360 HG21 THR 47 HG21 THR 47 94.937 -10.381 9.283 361 HG22 THR 47 HG22 THR 47 95.739 -11.877 8.804 362 HG23 THR 47 HG23 THR 47 94.315 -11.934 9.842 363 H TYR 48 H TYR 48 91.356 -8.909 9.279 364 HA TYR 48 HA TYR 48 92.216 -6.642 7.801 365 HB2 TYR 48 HB2 TYR 48 90.795 -7.070 10.403 366 HB3 TYR 48 HB3 TYR 48 91.373 -5.458 9.997 367 HD1 TYR 48 HD2 TYR 48 90.879 -4.742 7.469 368 HD2 TYR 48 HD1 TYR 48 88.637 -7.634 9.712 369 HE1 TYR 48 HE2 TYR 48 88.932 -4.383 5.982 370 HE2 TYR 48 HE1 TYR 48 86.686 -7.271 8.225 371 HH TYR 48 HH TYR 48 86.273 -4.706 6.339 372 H THR 49 H THR 49 93.649 -4.981 8.382 373 HA THR 49 HA THR 49 95.992 -5.902 9.841 374 HB THR 49 HB THR 49 97.044 -3.868 9.042 375 HG1 THR 49 HG1 THR 49 95.114 -2.580 9.364 376 HG21 THR 49 HG21 THR 49 97.061 -4.395 6.775 377 HG22 THR 49 HG22 THR 49 95.323 -4.687 6.726 378 HG23 THR 49 HG23 THR 49 96.395 -5.877 7.464 379 H ASP 50 H ASP 50 96.975 -4.647 11.558 380 HA ASP 50 HA ASP 50 95.292 -4.099 13.698 381 HB2 ASP 50 HB2 ASP 50 97.924 -2.682 13.383 382 HB3 ASP 50 HB1 ASP 50 97.186 -3.335 14.844 383 H ALA 51 H ALA 51 96.522 -1.935 11.201 384 HA ALA 51 HA ALA 51 95.729 0.514 12.326 385 HB1 ALA 51 HB1 ALA 51 97.172 0.570 10.436 386 HB2 ALA 51 HB2 ALA 51 95.646 1.272 9.898 387 HB3 ALA 51 HB3 ALA 51 96.055 -0.388 9.464 388 H ASN 52 H ASN 52 93.967 -1.780 10.275 389 HA ASN 52 HA ASN 52 91.594 -0.125 10.221 390 HB2 ASN 52 HB2 ASN 52 92.605 -2.254 8.689 391 HB3 ASN 52 HB1 ASN 52 91.166 -2.902 9.465 392 HD21 ASN 52 HD21 ASN 52 90.281 -2.893 7.166 393 HD22 ASN 52 HD22 ASN 52 89.614 -1.448 6.572 394 H LYS 53 H LYS 53 92.895 -2.660 12.172 395 HA LYS 53 HA LYS 53 90.356 -3.292 13.443 396 HB2 LYS 53 HB2 LYS 53 91.567 -5.227 13.511 397 HB3 LYS 53 HB3 LYS 53 93.107 -4.384 13.430 398 HG2 LYS 53 HG2 LYS 53 92.971 -3.821 15.803 399 HG3 LYS 53 HG3 LYS 53 91.364 -4.543 15.906 400 HD2 LYS 53 HD2 LYS 53 92.494 -6.705 15.049 401 HD3 LYS 53 HD3 LYS 53 94.016 -5.918 15.470 402 HE2 LYS 53 HE2 LYS 53 93.398 -7.175 17.400 403 HE3 LYS 53 HE3 LYS 53 92.995 -5.500 17.779 404 HZ1 LYS 53 HZ1 LYS 53 91.274 -7.405 18.162 405 HZ2 LYS 53 HZ2 LYS 53 90.960 -7.185 16.506 406 HZ3 LYS 53 HZ3 LYS 53 90.769 -5.890 17.590 407 H ASN 54 H ASN 54 92.703 -0.930 13.622 408 HA ASN 54 HA ASN 54 92.896 -0.461 16.407 409 HB2 ASN 54 HB2 ASN 54 93.991 1.493 15.826 410 HB3 ASN 54 HB1 ASN 54 94.243 0.527 14.379 411 HD21 ASN 54 HD21 ASN 54 91.543 0.821 13.307 412 HD22 ASN 54 HD22 ASN 54 91.364 2.440 12.834 413 H LYS 55 H LYS 55 90.410 0.014 14.133 414 HA LYS 55 HA LYS 55 88.303 0.947 14.265 415 HB2 LYS 55 HB2 LYS 55 88.877 0.671 17.222 416 HB3 LYS 55 HB3 LYS 55 87.301 1.076 16.544 417 HG2 LYS 55 HG2 LYS 55 87.053 -1.032 15.529 418 HG3 LYS 55 HG3 LYS 55 88.779 -1.382 15.618 419 HD2 LYS 55 HD2 LYS 55 88.696 -1.822 17.934 420 HD3 LYS 55 HD3 LYS 55 87.150 -0.997 18.127 421 HE2 LYS 55 HE2 LYS 55 87.366 -3.431 16.364 422 HE3 LYS 55 HE3 LYS 55 87.174 -3.604 18.109 423 HZ1 LYS 55 HZ1 LYS 55 85.032 -3.152 17.912 424 HZ2 LYS 55 HZ2 LYS 55 85.202 -3.083 16.222 425 HZ3 LYS 55 HZ3 LYS 55 85.365 -1.672 17.153 426 H GLY 56 H GLY 56 89.756 2.849 13.438 427 HA2 GLY 56 HA2 GLY 56 89.975 5.065 15.311 428 HA3 GLY 56 HA3 GLY 56 90.475 5.069 13.624 429 H ILE 57 H ILE 57 88.045 4.211 12.454 430 HA ILE 57 HA ILE 57 86.038 6.178 13.294 431 HB ILE 57 HB ILE 57 85.866 7.181 11.102 432 HG12 ILE 57 HG12 ILE 57 87.810 6.537 9.456 433 HG13 ILE 57 HG13 ILE 57 87.877 5.046 10.389 434 HG21 ILE 57 HG21 ILE 57 87.927 8.414 11.077 435 HG22 ILE 57 HG22 ILE 57 88.800 7.083 11.838 436 HG23 ILE 57 HG23 ILE 57 87.604 7.993 12.760 437 HD11 ILE 57 HD11 ILE 57 86.228 5.456 8.239 438 HD12 ILE 57 HD12 ILE 57 85.147 5.842 9.573 439 HD13 ILE 57 HD13 ILE 57 85.932 4.266 9.501 440 H THR 58 H THR 58 84.075 5.982 11.718 441 HA THR 58 HA THR 58 83.557 3.094 11.340 442 HB THR 58 HB THR 58 81.634 5.351 11.935 443 HG1 THR 58 HG1 THR 58 83.151 4.257 13.563 444 HG21 THR 58 HG21 THR 58 80.564 3.682 10.525 445 HG22 THR 58 HG22 THR 58 79.988 3.484 12.179 446 HG23 THR 58 HG23 THR 58 81.199 2.382 11.531 447 H TRP 59 H TRP 59 82.712 2.344 9.445 448 HA TRP 59 HA TRP 59 83.114 3.858 7.084 449 HB2 TRP 59 HB2 TRP 59 81.291 1.461 7.275 450 HB3 TRP 59 HB1 TRP 59 82.244 2.011 5.894 451 HD1 TRP 59 HD1 TRP 59 85.013 2.445 7.308 452 HE1 TRP 59 HE1 TRP 59 86.385 0.407 8.092 453 HE3 TRP 59 HE3 TRP 59 81.316 -1.056 7.629 454 HZ2 TRP 59 HZ2 TRP 59 85.958 -2.337 8.801 455 HZ3 TRP 59 HZ3 TRP 59 81.823 -3.369 8.354 456 HH2 TRP 59 HH2 TRP 59 84.139 -4.011 8.940 457 H LYS 60 H LYS 60 81.789 5.125 5.932 458 HA LYS 60 HA LYS 60 78.913 5.105 6.336 459 HB2 LYS 60 HB2 LYS 60 80.611 7.503 7.077 460 HB3 LYS 60 HB3 LYS 60 78.863 7.556 6.861 461 HG2 LYS 60 HG2 LYS 60 78.729 5.678 8.592 462 HG3 LYS 60 HG3 LYS 60 80.424 6.012 8.940 463 HD2 LYS 60 HD2 LYS 60 78.337 8.198 8.978 464 HD3 LYS 60 HD3 LYS 60 78.684 7.217 10.402 465 HE2 LYS 60 HE2 LYS 60 81.100 7.853 10.183 466 HE3 LYS 60 HE3 LYS 60 80.649 8.948 8.877 467 HZ1 LYS 60 HZ1 LYS 60 79.038 9.950 10.514 468 HZ2 LYS 60 HZ2 LYS 60 80.685 10.240 10.816 469 HZ3 LYS 60 HZ3 LYS 60 79.844 9.074 11.722 470 H GLU 61 H GLU 61 78.351 7.550 5.099 471 HA GLU 61 HA GLU 61 78.899 6.882 2.369 472 HB2 GLU 61 HB2 GLU 61 76.796 8.002 3.245 473 HB3 GLU 61 HB3 GLU 61 77.749 9.479 3.400 474 HG2 GLU 61 HG2 GLU 61 78.364 9.248 0.969 475 HG3 GLU 61 HG3 GLU 61 77.220 7.911 0.862 476 H GLU 62 H GLU 62 79.683 9.785 4.308 477 HA GLU 62 HA GLU 62 81.498 10.839 2.391 478 HB2 GLU 62 HB2 GLU 62 81.405 11.414 5.362 479 HB3 GLU 62 HB3 GLU 62 82.096 12.440 4.103 480 HG2 GLU 62 HG2 GLU 62 79.818 12.562 3.046 481 HG3 GLU 62 HG3 GLU 62 79.177 11.699 4.444 482 H THR 63 H THR 63 82.040 9.134 5.482 483 HA THR 63 HA THR 63 84.779 9.115 5.598 484 HB THR 63 HB THR 63 84.584 6.896 6.705 485 HG1 THR 63 HG1 THR 63 82.675 6.497 5.136 486 HG21 THR 63 HG21 THR 63 84.163 8.769 8.101 487 HG22 THR 63 HG22 THR 63 82.835 7.650 8.404 488 HG23 THR 63 HG23 THR 63 82.586 9.055 7.367 489 H LEU 64 H LEU 64 82.673 7.114 3.606 490 HA LEU 64 HA LEU 64 84.749 5.491 2.523 491 HB2 LEU 64 HB2 LEU 64 81.871 5.875 2.086 492 HB3 LEU 64 HB3 LEU 64 82.759 5.457 0.627 493 HG LEU 64 HG LEU 64 83.058 3.922 3.216 494 HD11 LEU 64 HD11 LEU 64 80.913 3.876 1.210 495 HD12 LEU 64 HD12 LEU 64 80.959 3.174 2.824 496 HD13 LEU 64 HD13 LEU 64 81.659 2.298 1.462 497 HD21 LEU 64 HD21 LEU 64 84.634 2.769 2.084 498 HD22 LEU 64 HD22 LEU 64 84.508 3.944 0.778 499 HD23 LEU 64 HD23 LEU 64 83.529 2.478 0.743 500 H MET 65 H MET 65 83.307 8.588 1.617 501 HA MET 65 HA MET 65 84.364 8.752 -0.995 502 HB2 MET 65 HB2 MET 65 83.751 10.980 0.958 503 HB3 MET 65 HB1 MET 65 84.048 11.195 -0.767 504 HG2 MET 65 HG2 MET 65 82.111 9.876 -1.338 505 HG3 MET 65 HG1 MET 65 81.880 9.409 0.342 506 HE1 MET 65 HE1 MET 65 80.529 11.281 -2.301 507 HE2 MET 65 HE2 MET 65 81.909 12.372 -2.211 508 HE3 MET 65 HE3 MET 65 80.297 12.971 -1.833 509 H GLU 66 H GLU 66 85.622 10.237 2.004 510 HA GLU 66 HA GLU 66 88.035 11.150 0.872 511 HB2 GLU 66 HB2 GLU 66 87.514 10.309 3.735 512 HB3 GLU 66 HB3 GLU 66 88.829 11.344 3.177 513 HG2 GLU 66 HG2 GLU 66 87.031 12.887 2.226 514 HG3 GLU 66 HG3 GLU 66 85.864 11.937 3.144 515 H TYR 67 H TYR 67 87.023 8.067 2.130 516 HA TYR 67 HA TYR 67 89.664 6.905 2.203 517 HB2 TYR 67 HB2 TYR 67 88.103 5.978 3.725 518 HB3 TYR 67 HB3 TYR 67 86.866 5.831 2.486 519 HD1 TYR 67 HD2 TYR 67 87.032 4.085 0.731 520 HD2 TYR 67 HD1 TYR 67 89.844 4.320 3.971 521 HE1 TYR 67 HE2 TYR 67 87.791 1.777 0.240 522 HE2 TYR 67 HE1 TYR 67 90.601 2.011 3.481 523 HH TYR 67 HH TYR 67 89.346 0.220 0.685 524 H LEU 68 H LEU 68 87.095 7.259 -0.112 525 HA LEU 68 HA LEU 68 88.049 5.211 -1.905 526 HB2 LEU 68 HB2 LEU 68 85.884 7.271 -1.930 527 HB3 LEU 68 HB3 LEU 68 86.419 6.628 -3.476 528 HG LEU 68 HG LEU 68 85.480 4.954 -1.127 529 HD11 LEU 68 HD11 LEU 68 83.622 6.143 -2.088 530 HD12 LEU 68 HD12 LEU 68 83.550 4.482 -2.667 531 HD13 LEU 68 HD13 LEU 68 84.149 5.762 -3.723 532 HD21 LEU 68 HD21 LEU 68 85.318 3.383 -3.342 533 HD22 LEU 68 HD22 LEU 68 86.696 3.392 -2.245 534 HD23 LEU 68 HD23 LEU 68 86.747 4.336 -3.731 535 H GLU 69 H GLU 69 88.707 8.559 -1.334 536 HA GLU 69 HA GLU 69 89.984 8.945 -3.929 537 HB2 GLU 69 HB2 GLU 69 88.921 10.912 -3.314 538 HB3 GLU 69 HB3 GLU 69 89.249 10.678 -1.599 539 HG2 GLU 69 HG2 GLU 69 91.516 11.349 -1.836 540 HG3 GLU 69 HG3 GLU 69 91.446 11.225 -3.593 541 H ASN 70 H ASN 70 90.750 7.795 -0.843 542 HA ASN 70 HA ASN 70 93.498 7.390 -1.510 543 HB2 ASN 70 HB2 ASN 70 94.467 8.742 0.317 544 HB3 ASN 70 HB1 ASN 70 93.682 9.744 -0.900 545 HD21 ASN 70 HD21 ASN 70 93.413 8.551 2.429 546 HD22 ASN 70 HD22 ASN 70 92.165 9.607 2.887 547 HA PRO 71 HA PRO 71 91.191 4.509 1.452 548 HB2 PRO 71 HB2 PRO 71 92.907 2.689 -0.190 549 HB3 PRO 71 HB1 PRO 71 91.233 2.473 0.354 550 HG2 PRO 71 HG2 PRO 71 91.822 3.142 -2.165 551 HG3 PRO 71 HG1 PRO 71 90.372 3.748 -1.347 552 HD2 PRO 71 HD2 PRO 71 92.875 5.193 -2.047 553 HD3 PRO 71 HD1 PRO 71 91.230 5.825 -1.826 554 H LYS 72 H LYS 72 94.578 4.668 0.406 555 HA LYS 72 HA LYS 72 95.567 3.313 2.750 556 HB2 LYS 72 HB2 LYS 72 96.699 3.230 0.532 557 HB3 LYS 72 HB3 LYS 72 97.090 4.938 0.707 558 HG2 LYS 72 HG2 LYS 72 98.945 4.342 1.850 559 HG3 LYS 72 HG3 LYS 72 97.902 3.743 3.137 560 HD2 LYS 72 HD2 LYS 72 98.656 2.084 0.713 561 HD3 LYS 72 HD3 LYS 72 99.557 2.048 2.228 562 HE2 LYS 72 HE2 LYS 72 96.631 1.342 1.860 563 HE3 LYS 72 HE3 LYS 72 97.944 0.224 2.226 564 HZ1 LYS 72 HZ1 LYS 72 98.294 1.858 4.217 565 HZ2 LYS 72 HZ2 LYS 72 97.138 0.616 4.304 566 HZ3 LYS 72 HZ3 LYS 72 96.655 2.208 3.955 567 H LYS 73 H LYS 73 95.653 6.693 1.592 568 HA LYS 73 HA LYS 73 97.065 7.684 3.832 569 HB2 LYS 73 HB2 LYS 73 96.495 8.759 1.472 570 HB3 LYS 73 HB3 LYS 73 95.146 9.451 2.373 571 HG2 LYS 73 HG2 LYS 73 96.834 10.225 4.104 572 HG3 LYS 73 HG3 LYS 73 98.099 9.742 2.975 573 HD2 LYS 73 HD2 LYS 73 97.854 11.965 2.366 574 HD3 LYS 73 HD3 LYS 73 96.683 11.224 1.278 575 HE2 LYS 73 HE2 LYS 73 95.529 13.046 2.283 576 HE3 LYS 73 HE3 LYS 73 94.950 11.614 3.134 577 HZ1 LYS 73 HZ1 LYS 73 96.000 12.197 5.024 578 HZ2 LYS 73 HZ2 LYS 73 95.876 13.763 4.375 579 HZ3 LYS 73 HZ3 LYS 73 97.325 12.889 4.223 580 H TYR 74 H TYR 74 93.814 6.670 3.507 581 HA TYR 74 HA TYR 74 92.726 8.397 5.545 582 HB2 TYR 74 HB2 TYR 74 91.543 7.037 3.575 583 HB3 TYR 74 HB3 TYR 74 91.399 5.817 4.838 584 HD1 TYR 74 HD1 TYR 74 91.020 9.546 4.503 585 HD2 TYR 74 HD2 TYR 74 89.443 5.886 6.111 586 HE1 TYR 74 HE1 TYR 74 89.122 10.796 5.493 587 HE2 TYR 74 HE2 TYR 74 87.547 7.139 7.102 588 HH TYR 74 HH TYR 74 86.963 9.362 7.770 589 H ILE 75 H ILE 75 93.375 4.890 5.399 590 HA ILE 75 HA ILE 75 93.899 4.955 8.313 591 HB ILE 75 HB ILE 75 92.516 2.728 6.795 592 HG12 ILE 75 HG12 ILE 75 91.301 4.526 8.901 593 HG13 ILE 75 HG13 ILE 75 91.238 4.947 7.191 594 HG21 ILE 75 HG21 ILE 75 93.301 3.153 9.686 595 HG22 ILE 75 HG22 ILE 75 93.697 1.789 8.640 596 HG23 ILE 75 HG23 ILE 75 92.045 2.006 9.217 597 HD11 ILE 75 HD11 ILE 75 90.271 2.297 8.292 598 HD12 ILE 75 HD12 ILE 75 90.038 2.921 6.659 599 HD13 ILE 75 HD13 ILE 75 89.215 3.683 8.021 600 HA PRO 76 HA PRO 76 97.662 3.612 5.832 601 HB2 PRO 76 HB2 PRO 76 98.684 4.437 8.532 602 HB3 PRO 76 HB1 PRO 76 99.399 4.704 6.928 603 HG2 PRO 76 HG2 PRO 76 98.115 6.653 8.203 604 HG3 PRO 76 HG1 PRO 76 97.992 6.461 6.445 605 HD2 PRO 76 HD2 PRO 76 95.955 5.890 8.539 606 HD3 PRO 76 HD1 PRO 76 95.726 6.319 6.830 607 H GLY 77 H GLY 77 98.212 1.516 5.786 608 HA2 GLY 77 HA2 GLY 77 99.245 -0.355 7.028 609 HA3 GLY 77 HA3 GLY 77 98.045 -0.071 8.285 610 H THR 78 H THR 78 95.871 0.429 6.406 611 HA THR 78 HA THR 78 94.789 -2.131 6.170 612 HB THR 78 HB THR 78 93.500 0.010 6.082 613 HG1 THR 78 HG1 THR 78 93.128 -2.239 4.749 614 HG21 THR 78 HG21 THR 78 93.412 1.282 4.063 615 HG22 THR 78 HG22 THR 78 94.357 0.077 3.186 616 HG23 THR 78 HG23 THR 78 95.122 1.060 4.435 617 H LYS 79 H LYS 79 94.779 -3.680 4.590 618 HA LYS 79 HA LYS 79 96.863 -3.462 2.567 619 HB2 LYS 79 HB2 LYS 79 94.985 -5.712 3.321 620 HB3 LYS 79 HB3 LYS 79 96.190 -5.827 2.041 621 HG2 LYS 79 HG2 LYS 79 97.737 -4.882 4.086 622 HG3 LYS 79 HG3 LYS 79 96.555 -5.828 4.987 623 HD2 LYS 79 HD2 LYS 79 98.155 -6.874 2.632 624 HD3 LYS 79 HD3 LYS 79 98.552 -7.168 4.325 625 HE2 LYS 79 HE2 LYS 79 96.434 -8.318 4.670 626 HE3 LYS 79 HE3 LYS 79 95.919 -7.933 3.028 627 HZ1 LYS 79 HZ1 LYS 79 97.497 -9.353 2.118 628 HZ2 LYS 79 HZ2 LYS 79 96.918 -10.222 3.458 629 HZ3 LYS 79 HZ3 LYS 79 98.415 -9.423 3.541 630 H MET 80 H MET 80 96.094 -1.942 1.081 631 HA MET 80 HA MET 80 94.446 -2.995 -0.990 632 HB2 MET 80 HB2 MET 80 92.604 -2.407 0.483 633 HB3 MET 80 HB1 MET 80 93.254 -0.781 0.699 634 HG2 MET 80 HG2 MET 80 92.791 -0.170 -1.537 635 HG3 MET 80 HG1 MET 80 92.608 -1.846 -2.051 636 HE1 MET 80 HE1 MET 80 89.228 0.543 -2.018 637 HE2 MET 80 HE2 MET 80 90.378 -0.180 -3.141 638 HE3 MET 80 HE3 MET 80 90.916 1.063 -2.018 639 H ILE 81 H ILE 81 96.100 -2.437 -2.349 640 HA ILE 81 HA ILE 81 96.540 0.463 -2.757 641 HB ILE 81 HB ILE 81 98.543 -1.803 -2.925 642 HG12 ILE 81 HG12 ILE 81 99.782 -0.180 -1.368 643 HG13 ILE 81 HG13 ILE 81 98.255 0.688 -1.225 644 HG21 ILE 81 HG21 ILE 81 100.112 0.120 -3.575 645 HG22 ILE 81 HG22 ILE 81 98.653 1.041 -3.942 646 HG23 ILE 81 HG23 ILE 81 99.004 -0.445 -4.825 647 HD11 ILE 81 HD11 ILE 81 97.442 -0.833 0.227 648 HD12 ILE 81 HD12 ILE 81 99.064 -1.515 0.301 649 HD13 ILE 81 HD13 ILE 81 97.881 -2.179 -0.823 650 H PHE 82 H PHE 82 95.434 0.941 -4.562 651 HA PHE 82 HA PHE 82 96.063 -0.538 -7.007 652 HB2 PHE 82 HB2 PHE 82 94.084 -1.702 -6.279 653 HB3 PHE 82 HB1 PHE 82 93.249 -0.184 -5.949 654 HD1 PHE 82 HD2 PHE 82 94.892 -2.110 -8.707 655 HD2 PHE 82 HD1 PHE 82 91.980 0.862 -7.637 656 HE1 PHE 82 HE2 PHE 82 94.104 -2.036 -11.057 657 HE2 PHE 82 HE1 PHE 82 91.191 0.935 -9.986 658 HZ PHE 82 HZ PHE 82 92.254 -0.514 -11.697 659 H ALA 83 H ALA 83 93.375 1.680 -6.404 660 HA ALA 83 HA ALA 83 94.777 4.005 -7.344 661 HB1 ALA 83 HB1 ALA 83 94.429 2.705 -9.462 662 HB2 ALA 83 HB2 ALA 83 93.647 4.286 -9.457 663 HB3 ALA 83 HB3 ALA 83 92.692 2.827 -9.192 664 H GLY 84 H GLY 84 93.839 5.689 -6.387 665 HA2 GLY 84 HA2 GLY 84 91.275 5.407 -5.084 666 HA3 GLY 84 HA3 GLY 84 92.317 6.827 -5.053 667 H ILE 85 H ILE 85 89.710 7.341 -5.304 668 HA ILE 85 HA ILE 85 88.927 7.484 -8.100 669 HB ILE 85 HB ILE 85 87.658 8.518 -5.560 670 HG12 ILE 85 HG12 ILE 85 87.799 5.967 -6.247 671 HG13 ILE 85 HG13 ILE 85 86.285 6.633 -5.646 672 HG21 ILE 85 HG21 ILE 85 86.824 8.740 -8.450 673 HG22 ILE 85 HG22 ILE 85 86.886 10.008 -7.226 674 HG23 ILE 85 HG23 ILE 85 85.635 8.766 -7.150 675 HD11 ILE 85 HD11 ILE 85 86.255 5.203 -7.832 676 HD12 ILE 85 HD12 ILE 85 86.858 6.672 -8.598 677 HD13 ILE 85 HD13 ILE 85 85.303 6.685 -7.766 678 H LYS 86 H LYS 86 88.381 9.536 -9.140 679 HA LYS 86 HA LYS 86 90.339 11.619 -8.430 680 HB2 LYS 86 HB2 LYS 86 90.276 10.505 -10.738 681 HB3 LYS 86 HB3 LYS 86 88.800 11.429 -11.012 682 HG2 LYS 86 HG2 LYS 86 90.122 13.502 -10.337 683 HG3 LYS 86 HG3 LYS 86 91.570 12.500 -10.436 684 HD2 LYS 86 HD2 LYS 86 90.766 11.874 -12.801 685 HD3 LYS 86 HD3 LYS 86 89.653 13.234 -12.652 686 HE2 LYS 86 HE2 LYS 86 91.610 14.102 -13.717 687 HE3 LYS 86 HE3 LYS 86 91.679 14.659 -12.045 688 HZ1 LYS 86 HZ1 LYS 86 92.911 12.085 -12.604 689 HZ2 LYS 86 HZ2 LYS 86 93.423 13.337 -11.576 690 HZ3 LYS 86 HZ3 LYS 86 93.698 13.442 -13.249 691 H LYS 87 H LYS 87 87.079 11.567 -9.920 692 HA LYS 87 HA LYS 87 86.556 14.230 -8.870 693 HB2 LYS 87 HB2 LYS 87 84.605 12.488 -10.366 694 HB3 LYS 87 HB3 LYS 87 84.660 14.250 -10.277 695 HG2 LYS 87 HG2 LYS 87 86.844 14.214 -11.472 696 HG3 LYS 87 HG3 LYS 87 86.706 12.465 -11.628 697 HD2 LYS 87 HD2 LYS 87 85.485 12.749 -13.505 698 HD3 LYS 87 HD3 LYS 87 84.243 13.557 -12.552 699 HE2 LYS 87 HE2 LYS 87 86.685 14.927 -13.715 700 HE3 LYS 87 HE3 LYS 87 85.071 14.972 -14.427 701 HZ1 LYS 87 HZ1 LYS 87 84.753 15.650 -11.774 702 HZ2 LYS 87 HZ2 LYS 87 84.651 16.688 -13.116 703 HZ3 LYS 87 HZ3 LYS 87 86.124 16.505 -12.289 704 H LYS 88 H LYS 88 84.506 14.716 -7.774 705 HA LYS 88 HA LYS 88 84.164 13.069 -5.460 706 HB2 LYS 88 HB2 LYS 88 83.887 15.475 -5.284 707 HB3 LYS 88 HB3 LYS 88 82.591 15.448 -6.480 708 HG2 LYS 88 HG2 LYS 88 81.187 14.114 -4.992 709 HG3 LYS 88 HG3 LYS 88 82.496 13.998 -3.815 710 HD2 LYS 88 HD2 LYS 88 82.194 16.147 -3.061 711 HD3 LYS 88 HD3 LYS 88 81.737 16.752 -4.653 712 HE2 LYS 88 HE2 LYS 88 79.514 15.868 -4.447 713 HE3 LYS 88 HE3 LYS 88 79.945 14.959 -2.999 714 HZ1 LYS 88 HZ1 LYS 88 78.734 17.068 -2.569 715 HZ2 LYS 88 HZ2 LYS 88 80.071 17.916 -3.184 716 HZ3 LYS 88 HZ3 LYS 88 80.235 16.964 -1.787 717 H THR 89 H THR 89 81.977 13.940 -8.151 718 HA THR 89 HA THR 89 79.814 12.355 -7.457 719 HB THR 89 HB THR 89 79.312 12.271 -9.904 720 HG1 THR 89 HG1 THR 89 81.708 12.283 -10.334 721 HG21 THR 89 HG21 THR 89 80.247 14.996 -8.971 722 HG22 THR 89 HG22 THR 89 78.765 14.226 -8.403 723 HG23 THR 89 HG23 THR 89 78.944 14.645 -10.107 724 H GLU 90 H GLU 90 82.919 11.417 -8.698 725 HA GLU 90 HA GLU 90 82.167 8.823 -9.629 726 HB2 GLU 90 HB2 GLU 90 84.790 10.082 -8.843 727 HB3 GLU 90 HB3 GLU 90 84.684 8.371 -9.248 728 HG2 GLU 90 HG2 GLU 90 83.953 8.828 -11.458 729 HG3 GLU 90 HG3 GLU 90 83.581 10.507 -11.071 730 H ARG 91 H ARG 91 83.255 10.179 -6.569 731 HA ARG 91 HA ARG 91 83.396 7.642 -5.211 732 HB2 ARG 91 HB2 ARG 91 83.217 10.450 -4.075 733 HB3 ARG 91 HB3 ARG 91 83.675 8.995 -3.189 734 HG2 ARG 91 HG2 ARG 91 85.573 8.694 -4.806 735 HG3 ARG 91 HG3 ARG 91 85.170 10.267 -5.492 736 HD2 ARG 91 HD2 ARG 91 85.344 10.468 -2.608 737 HD3 ARG 91 HD3 ARG 91 86.822 9.762 -3.254 738 HE ARG 91 HE ARG 91 86.306 11.910 -4.894 739 HH11 ARG 91 HH21 ARG 91 86.698 11.376 -1.496 740 HH12 ARG 91 HH22 ARG 91 87.350 12.949 -1.184 741 HH21 ARG 91 HH11 ARG 91 87.161 13.974 -4.491 742 HH22 ARG 91 HH12 ARG 91 87.612 14.420 -2.880 743 H GLU 92 H GLU 92 81.139 10.407 -5.174 744 HA GLU 92 HA GLU 92 79.268 9.330 -3.387 745 HB2 GLU 92 HB2 GLU 92 79.364 11.705 -4.302 746 HB3 GLU 92 HB3 GLU 92 78.565 11.082 -5.746 747 HG2 GLU 92 HG2 GLU 92 76.807 11.868 -4.342 748 HG3 GLU 92 HG3 GLU 92 76.795 10.113 -4.173 749 H ASP 93 H ASP 93 79.241 9.276 -6.965 750 HA ASP 93 HA ASP 93 76.962 7.663 -7.257 751 HB2 ASP 93 HB2 ASP 93 79.397 7.859 -9.046 752 HB3 ASP 93 HB1 ASP 93 77.846 7.160 -9.508 753 H LEU 94 H LEU 94 80.406 6.786 -7.087 754 HA LEU 94 HA LEU 94 80.110 4.004 -7.375 755 HB2 LEU 94 HB2 LEU 94 82.306 5.059 -7.505 756 HB3 LEU 94 HB3 LEU 94 82.170 5.590 -5.831 757 HG LEU 94 HG LEU 94 82.152 3.286 -5.048 758 HD11 LEU 94 HD11 LEU 94 81.050 2.039 -6.688 759 HD12 LEU 94 HD12 LEU 94 82.725 1.538 -6.909 760 HD13 LEU 94 HD13 LEU 94 82.011 2.727 -7.997 761 HD21 LEU 94 HD21 LEU 94 84.424 2.810 -5.409 762 HD22 LEU 94 HD22 LEU 94 84.333 4.544 -5.701 763 HD23 LEU 94 HD23 LEU 94 84.390 3.423 -7.061 764 H ILE 95 H ILE 95 79.860 6.128 -4.592 765 HA ILE 95 HA ILE 95 79.675 3.994 -2.700 766 HB ILE 95 HB ILE 95 79.303 6.967 -2.557 767 HG12 ILE 95 HG12 ILE 95 81.096 5.297 -0.829 768 HG13 ILE 95 HG13 ILE 95 81.528 5.500 -2.520 769 HG21 ILE 95 HG21 ILE 95 77.688 6.421 -0.972 770 HG22 ILE 95 HG22 ILE 95 79.141 6.362 0.026 771 HG23 ILE 95 HG23 ILE 95 78.435 4.870 -0.595 772 HD11 ILE 95 HD11 ILE 95 82.000 7.724 -2.277 773 HD12 ILE 95 HD12 ILE 95 82.295 7.235 -0.612 774 HD13 ILE 95 HD13 ILE 95 80.755 7.964 -1.054 775 H ALA 96 H ALA 96 77.457 5.802 -4.661 776 HA ALA 96 HA ALA 96 75.075 5.224 -3.232 777 HB1 ALA 96 HB1 ALA 96 75.361 6.932 -5.089 778 HB2 ALA 96 HB2 ALA 96 73.919 5.922 -5.204 779 HB3 ALA 96 HB3 ALA 96 75.318 5.582 -6.223 780 H TYR 97 H TYR 97 76.973 3.506 -5.641 781 HA TYR 97 HA TYR 97 75.042 1.391 -5.987 782 HB2 TYR 97 HB2 TYR 97 76.492 1.782 -7.843 783 HB3 TYR 97 HB3 TYR 97 77.929 1.707 -6.824 784 HD1 TYR 97 HD1 TYR 97 75.098 -0.311 -8.162 785 HD2 TYR 97 HD2 TYR 97 78.962 -0.373 -6.293 786 HE1 TYR 97 HE1 TYR 97 75.226 -2.761 -8.512 787 HE2 TYR 97 HE2 TYR 97 79.091 -2.824 -6.643 788 HH TYR 97 HH TYR 97 76.371 -4.621 -8.068 789 H LEU 98 H LEU 98 78.104 1.826 -4.225 790 HA LEU 98 HA LEU 98 78.357 -0.765 -3.203 791 HB2 LEU 98 HB2 LEU 98 79.229 1.931 -2.189 792 HB3 LEU 98 HB3 LEU 98 79.547 0.471 -1.259 793 HG LEU 98 HG LEU 98 80.291 0.606 -4.179 794 HD11 LEU 98 HD11 LEU 98 82.069 1.475 -1.884 795 HD12 LEU 98 HD12 LEU 98 81.306 2.580 -3.026 796 HD13 LEU 98 HD13 LEU 98 82.502 1.421 -3.592 797 HD21 LEU 98 HD21 LEU 98 81.384 -1.341 -3.748 798 HD22 LEU 98 HD22 LEU 98 80.372 -1.419 -2.307 799 HD23 LEU 98 HD23 LEU 98 82.005 -0.763 -2.205 800 H LYS 99 H LYS 99 76.144 1.773 -2.422 801 HA LYS 99 HA LYS 99 75.419 0.737 0.180 802 HB2 LYS 99 HB2 LYS 99 74.442 2.951 -1.589 803 HB3 LYS 99 HB3 LYS 99 73.418 2.393 -0.268 804 HG2 LYS 99 HG2 LYS 99 75.441 2.693 1.260 805 HG3 LYS 99 HG3 LYS 99 76.216 3.534 -0.082 806 HD2 LYS 99 HD2 LYS 99 73.513 4.311 1.047 807 HD3 LYS 99 HD3 LYS 99 75.031 5.054 1.549 808 HE2 LYS 99 HE2 LYS 99 75.431 5.525 -0.950 809 HE3 LYS 99 HE3 LYS 99 73.726 5.134 -1.173 810 HZ1 LYS 99 HZ1 LYS 99 74.880 7.284 0.510 811 HZ2 LYS 99 HZ2 LYS 99 73.251 6.811 0.594 812 HZ3 LYS 99 HZ3 LYS 99 73.877 7.457 -0.847 813 H LYS 100 H LYS 100 73.831 0.894 -3.010 814 HA LYS 100 HA LYS 100 71.657 -0.794 -2.154 815 HB2 LYS 100 HB2 LYS 100 71.617 1.008 -3.999 816 HB3 LYS 100 HB3 LYS 100 72.381 -0.210 -5.020 817 HG2 LYS 100 HG2 LYS 100 70.504 -1.781 -4.433 818 HG3 LYS 100 HG3 LYS 100 69.713 -0.443 -3.599 819 HD2 LYS 100 HD2 LYS 100 70.516 -0.417 -6.524 820 HD3 LYS 100 HD3 LYS 100 68.885 -0.734 -5.935 821 HE2 LYS 100 HE2 LYS 100 69.168 1.543 -4.675 822 HE3 LYS 100 HE3 LYS 100 70.457 1.828 -5.843 823 HZ1 LYS 100 HZ1 LYS 100 68.526 0.954 -7.444 824 HZ2 LYS 100 HZ2 LYS 100 68.764 2.597 -7.078 825 HZ3 LYS 100 HZ3 LYS 100 67.586 1.700 -6.244 826 H ALA 101 H ALA 101 74.832 -1.313 -3.238 827 HA ALA 101 HA ALA 101 74.329 -3.943 -4.380 828 HB1 ALA 101 HB1 ALA 101 76.099 -2.439 -5.288 829 HB2 ALA 101 HB2 ALA 101 76.721 -4.008 -4.776 830 HB3 ALA 101 HB3 ALA 101 76.962 -2.588 -3.757 831 H THR 102 H THR 102 75.476 -2.499 -1.401 832 HA THR 102 HA THR 102 76.229 -5.096 -0.285 833 HB THR 102 HB THR 102 76.855 -3.733 1.710 834 HG1 THR 102 HG1 THR 102 75.384 -1.924 0.349 835 HG21 THR 102 HG21 THR 102 78.688 -2.469 0.512 836 HG22 THR 102 HG22 THR 102 77.912 -2.927 -1.004 837 HG23 THR 102 HG23 THR 102 78.548 -4.170 0.068 838 H ASN 103 H ASN 103 73.447 -3.383 -0.724 839 HA ASN 103 HA ASN 103 72.199 -4.124 1.824 840 HB2 ASN 103 HB2 ASN 103 71.413 -2.407 -0.512 841 HB3 ASN 103 HB1 ASN 103 70.196 -2.973 0.623 842 HD21 ASN 103 HD21 ASN 103 73.483 -2.319 1.710 843 HD22 ASN 103 HD22 ASN 103 73.098 -0.925 2.597 844 H GLU 104 H GLU 104 72.412 -5.107 -1.491 845 HA GLU 104 HA GLU 104 70.904 -7.520 -0.916 846 HB2 GLU 104 HB2 GLU 104 69.364 -7.209 -2.842 847 HB3 GLU 104 HB3 GLU 104 69.089 -6.030 -1.560 848 HG2 GLU 104 HG2 GLU 104 70.464 -4.382 -2.786 849 HG3 GLU 104 HG3 GLU 104 70.710 -5.556 -4.077 850 HHA HEC 201 HA HEC 105 89.497 -3.576 3.181 851 HHB HEC 201 HB HEC 105 85.656 -0.056 -0.399 852 HHC HEC 201 HC HEC 105 88.944 -1.732 -5.540 853 HHD HEC 201 HD HEC 105 92.365 -5.728 -2.024 854 HMA1 HEC 201 HMA1 HEC 105 85.560 0.686 1.777 855 HMA2 HEC 201 HMA2 HEC 105 85.655 -0.059 3.370 856 HMA3 HEC 201 HMA3 HEC 105 84.620 -0.763 2.131 857 HAA1 HEC 201 HAA1 HEC 105 87.222 -0.972 4.514 858 HAA2 HEC 201 HAA2 HEC 105 88.511 -2.153 4.449 859 HBA1 HEC 201 HBA1 HEC 105 87.092 -3.931 4.738 860 HBA2 HEC 201 HBA2 HEC 105 85.749 -3.139 3.918 861 HMB1 HEC 201 HMB1 HEC 105 84.219 0.084 -2.738 862 HMB2 HEC 201 HMB2 HEC 105 84.945 1.192 -3.897 863 HMB3 HEC 201 HMB3 HEC 105 85.193 1.440 -2.172 864 HAB HEC 201 HAB HEC 105 87.405 -0.565 -6.185 865 HBB1 HEC 201 HBB1 HEC 105 86.793 1.981 -4.753 866 HBB2 HEC 201 HBB2 HEC 105 87.952 1.666 -6.041 867 HBB3 HEC 201 HBB3 HEC 105 86.240 1.840 -6.421 868 HMC1 HEC 201 HMC1 HEC 105 89.907 -3.283 -6.898 869 HMC2 HEC 201 HMC2 HEC 105 91.379 -4.247 -6.932 870 HMC3 HEC 201 HMC3 HEC 105 91.470 -2.508 -6.659 871 HAC HEC 201 HAC HEC 105 92.813 -6.120 -3.956 872 HBC1 HEC 201 HBC1 HEC 105 93.379 -3.933 -5.851 873 HBC2 HEC 201 HBC2 HEC 105 93.736 -5.538 -6.489 874 HBC3 HEC 201 HBC3 HEC 105 94.495 -4.995 -4.994 875 HMD1 HEC 201 HMD1 HEC 105 93.453 -6.532 1.475 876 HMD2 HEC 201 HMD2 HEC 105 93.598 -6.269 -0.259 877 HMD3 HEC 201 HMD3 HEC 105 92.485 -7.490 0.356 878 HAD1 HEC 201 HAD1 HEC 105 92.086 -6.322 3.137 879 HAD2 HEC 201 HAD2 HEC 105 90.572 -5.600 3.641 880 HBD1 HEC 201 HBD1 HEC 105 91.714 -3.409 3.870 881 HBD2 HEC 201 HBD2 HEC 105 93.235 -4.182 3.436 882 H1 HOH 301 H2 HOH 200 79.963 3.498 -0.572 883 H2 HOH 301 H1 HOH 200 80.655 2.155 -0.465 884 H1 HOH 302 H2 HOH 201 87.137 5.042 5.976 885 H2 HOH 302 H1 HOH 201 86.174 5.700 5.011 886 H1 HOH 303 H2 HOH 202 82.160 -5.850 6.233 887 H2 HOH 303 H1 HOH 202 83.523 -5.202 6.356 888 H1 HOH 304 H2 HOH 203 82.841 -10.062 0.309 889 H2 HOH 304 H1 HOH 203 81.614 -10.943 0.434 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 76.080 11.315 -7.158 2 H2 GLY 1 H2 GLY 1 74.574 12.100 -7.163 3 H3 GLY 1 H3 GLY 1 75.099 11.253 -8.539 4 HA2 GLY 1 HA2 GLY 1 75.197 9.398 -6.521 5 HA3 GLY 1 HA3 GLY 1 73.701 10.293 -6.254 6 H ASP 2 H ASP 2 75.501 8.313 -8.525 7 HA ASP 2 HA ASP 2 72.975 7.714 -9.944 8 HB2 ASP 2 HB2 ASP 2 75.688 8.158 -11.213 9 HB3 ASP 2 HB1 ASP 2 74.247 7.593 -12.056 10 H VAL 3 H VAL 3 72.780 5.808 -8.736 11 HA VAL 3 HA VAL 3 74.682 3.879 -8.229 12 HB VAL 3 HB VAL 3 72.493 3.654 -7.285 13 HG11 VAL 3 HG11 VAL 3 71.100 4.726 -8.888 14 HG12 VAL 3 HG12 VAL 3 70.562 3.047 -8.864 15 HG13 VAL 3 HG13 VAL 3 71.597 3.623 -10.171 16 HG21 VAL 3 HG21 VAL 3 73.809 1.551 -8.070 17 HG22 VAL 3 HG22 VAL 3 72.574 1.428 -9.322 18 HG23 VAL 3 HG23 VAL 3 72.117 1.350 -7.621 19 H GLU 4 H GLU 4 73.440 4.880 -11.258 20 HA GLU 4 HA GLU 4 73.852 2.432 -12.693 21 HB2 GLU 4 HB2 GLU 4 73.581 5.308 -13.584 22 HB3 GLU 4 HB3 GLU 4 73.763 3.961 -14.708 23 HG2 GLU 4 HG2 GLU 4 71.726 2.942 -13.955 24 HG3 GLU 4 HG3 GLU 4 71.607 4.050 -12.588 25 H LYS 5 H LYS 5 75.668 5.512 -12.700 26 HA LYS 5 HA LYS 5 77.930 4.322 -14.012 27 HB2 LYS 5 HB2 LYS 5 77.478 6.985 -12.655 28 HB3 LYS 5 HB3 LYS 5 79.037 6.527 -13.342 29 HG2 LYS 5 HG2 LYS 5 78.118 6.326 -15.541 30 HG3 LYS 5 HG3 LYS 5 76.465 6.419 -14.932 31 HD2 LYS 5 HD2 LYS 5 78.321 8.705 -14.356 32 HD3 LYS 5 HD3 LYS 5 77.653 8.558 -15.981 33 HE2 LYS 5 HE2 LYS 5 75.418 8.727 -15.199 34 HE3 LYS 5 HE3 LYS 5 75.896 8.426 -13.529 35 HZ1 LYS 5 HZ1 LYS 5 76.212 10.582 -13.232 36 HZ2 LYS 5 HZ2 LYS 5 75.644 10.878 -14.806 37 HZ3 LYS 5 HZ3 LYS 5 77.305 10.650 -14.527 38 H GLY 6 H GLY 6 76.796 4.513 -10.800 39 HA2 GLY 6 HA2 GLY 6 79.302 4.338 -9.433 40 HA3 GLY 6 HA3 GLY 6 77.721 3.921 -8.766 41 H LYS 7 H LYS 7 76.997 2.061 -10.791 42 HA LYS 7 HA LYS 7 78.221 -0.300 -9.762 43 HB2 LYS 7 HB2 LYS 7 75.857 -0.140 -10.616 44 HB3 LYS 7 HB3 LYS 7 76.513 -0.025 -12.246 45 HG2 LYS 7 HG2 LYS 7 77.550 -2.282 -10.611 46 HG3 LYS 7 HG3 LYS 7 75.850 -2.390 -11.053 47 HD2 LYS 7 HD2 LYS 7 78.109 -1.904 -13.023 48 HD3 LYS 7 HD3 LYS 7 77.363 -3.470 -12.725 49 HE2 LYS 7 HE2 LYS 7 76.315 -1.134 -14.227 50 HE3 LYS 7 HE3 LYS 7 76.017 -2.854 -14.469 51 HZ1 LYS 7 HZ1 LYS 7 74.825 -1.150 -12.349 52 HZ2 LYS 7 HZ2 LYS 7 74.579 -2.824 -12.509 53 HZ3 LYS 7 HZ3 LYS 7 74.025 -1.761 -13.714 54 H LYS 8 H LYS 8 78.449 1.509 -12.816 55 HA LYS 8 HA LYS 8 80.114 -0.252 -14.217 56 HB2 LYS 8 HB2 LYS 8 79.065 1.649 -15.305 57 HB3 LYS 8 HB3 LYS 8 79.992 2.770 -14.311 58 HG2 LYS 8 HG2 LYS 8 81.621 0.774 -15.778 59 HG3 LYS 8 HG3 LYS 8 80.770 1.926 -16.803 60 HD2 LYS 8 HD2 LYS 8 82.310 2.908 -14.406 61 HD3 LYS 8 HD3 LYS 8 83.155 2.540 -15.908 62 HE2 LYS 8 HE2 LYS 8 82.007 4.204 -17.109 63 HE3 LYS 8 HE3 LYS 8 80.703 4.292 -15.924 64 HZ1 LYS 8 HZ1 LYS 8 83.492 5.021 -15.254 65 HZ2 LYS 8 HZ2 LYS 8 82.071 5.401 -14.405 66 HZ3 LYS 8 HZ3 LYS 8 82.398 6.148 -15.895 67 H ILE 9 H ILE 9 80.985 2.479 -12.108 68 HA ILE 9 HA ILE 9 83.782 2.148 -12.354 69 HB ILE 9 HB ILE 9 82.173 3.399 -10.119 70 HG12 ILE 9 HG12 ILE 9 83.621 4.782 -12.385 71 HG13 ILE 9 HG13 ILE 9 81.937 4.279 -12.535 72 HG21 ILE 9 HG21 ILE 9 84.318 4.631 -9.700 73 HG22 ILE 9 HG22 ILE 9 85.108 3.571 -10.866 74 HG23 ILE 9 HG23 ILE 9 84.438 2.902 -9.379 75 HD11 ILE 9 HD11 ILE 9 82.210 6.653 -11.757 76 HD12 ILE 9 HD12 ILE 9 82.984 6.035 -10.297 77 HD13 ILE 9 HD13 ILE 9 81.298 5.642 -10.636 78 H PHE 10 H PHE 10 81.376 0.556 -10.416 79 HA PHE 10 HA PHE 10 83.229 -0.474 -8.469 80 HB2 PHE 10 HB2 PHE 10 81.088 -0.381 -7.592 81 HB3 PHE 10 HB1 PHE 10 80.336 -0.900 -9.101 82 HD1 PHE 10 HD1 PHE 10 80.270 -3.258 -9.740 83 HD2 PHE 10 HD2 PHE 10 82.060 -2.002 -6.049 84 HE1 PHE 10 HE1 PHE 10 80.300 -5.610 -8.960 85 HE2 PHE 10 HE2 PHE 10 82.098 -4.355 -5.267 86 HZ PHE 10 HZ PHE 10 81.215 -6.162 -6.725 87 H VAL 11 H VAL 11 81.431 -1.975 -11.168 88 HA VAL 11 HA VAL 11 82.448 -4.546 -10.942 89 HB VAL 11 HB VAL 11 81.925 -4.788 -13.359 90 HG11 VAL 11 HG11 VAL 11 79.792 -3.159 -11.977 91 HG12 VAL 11 HG12 VAL 11 80.195 -4.798 -11.467 92 HG13 VAL 11 HG13 VAL 11 79.581 -4.506 -13.094 93 HG21 VAL 11 HG21 VAL 11 81.286 -1.835 -13.170 94 HG22 VAL 11 HG22 VAL 11 81.064 -2.860 -14.586 95 HG23 VAL 11 HG23 VAL 11 82.690 -2.496 -14.006 96 H GLN 12 H GLN 12 83.913 -1.681 -12.286 97 HA GLN 12 HA GLN 12 86.122 -3.263 -13.392 98 HB2 GLN 12 HB2 GLN 12 86.830 -1.244 -14.475 99 HB3 GLN 12 HB1 GLN 12 85.094 -1.430 -14.715 100 HG2 GLN 12 HG2 GLN 12 84.721 0.089 -12.752 101 HG3 GLN 12 HG1 GLN 12 86.462 0.367 -12.700 102 HE21 GLN 12 HE21 GLN 12 85.862 -0.093 -15.903 103 HE22 GLN 12 HE22 GLN 12 85.578 1.508 -16.379 104 H LYS 13 H LYS 13 85.465 -1.163 -10.648 105 HA LYS 13 HA LYS 13 88.352 -1.022 -10.075 106 HB2 LYS 13 HB2 LYS 13 86.021 0.481 -8.894 107 HB3 LYS 13 HB3 LYS 13 87.673 0.613 -8.306 108 HG2 LYS 13 HG2 LYS 13 88.087 0.997 -10.976 109 HG3 LYS 13 HG3 LYS 13 86.473 1.680 -10.805 110 HD2 LYS 13 HD2 LYS 13 87.234 3.185 -9.058 111 HD3 LYS 13 HD3 LYS 13 88.829 2.430 -9.052 112 HE2 LYS 13 HE2 LYS 13 89.185 3.139 -11.382 113 HE3 LYS 13 HE3 LYS 13 87.586 3.882 -11.405 114 HZ1 LYS 13 HZ1 LYS 13 89.708 5.274 -10.838 115 HZ2 LYS 13 HZ2 LYS 13 89.454 4.645 -9.280 116 HZ3 LYS 13 HZ3 LYS 13 88.241 5.565 -10.037 117 H CYS 14 H CYS 14 85.445 -1.501 -8.014 118 HA CYS 14 HA CYS 14 87.102 -2.809 -6.039 119 HB2 CYS 14 HB2 CYS 14 84.133 -2.714 -5.828 120 HB3 CYS 14 HB1 CYS 14 85.346 -2.543 -4.569 121 H ALA 15 H ALA 15 84.660 -3.930 -8.347 122 HA ALA 15 HA ALA 15 84.064 -6.404 -7.304 123 HB1 ALA 15 HB1 ALA 15 82.937 -5.977 -9.277 124 HB2 ALA 15 HB2 ALA 15 84.144 -7.133 -9.840 125 HB3 ALA 15 HB3 ALA 15 84.386 -5.407 -10.103 126 H GLN 16 H GLN 16 87.082 -5.316 -8.640 127 HA GLN 16 HA GLN 16 88.371 -7.618 -9.378 128 HB2 GLN 16 HB2 GLN 16 89.494 -5.306 -7.794 129 HB3 GLN 16 HB1 GLN 16 90.466 -6.526 -8.613 130 HG2 GLN 16 HG2 GLN 16 89.240 -5.918 -10.747 131 HG3 GLN 16 HG1 GLN 16 88.553 -4.549 -9.874 132 HE21 GLN 16 HE21 GLN 16 91.698 -5.982 -10.846 133 HE22 GLN 16 HE22 GLN 16 92.542 -4.510 -10.833 134 H CYS 17 H CYS 17 88.665 -6.272 -6.057 135 HA CYS 17 HA CYS 17 88.994 -9.060 -5.097 136 HB2 CYS 17 HB2 CYS 17 90.123 -6.916 -3.412 137 HB3 CYS 17 HB1 CYS 17 90.811 -8.470 -3.874 138 H HIS 18 H HSD 18 86.405 -8.087 -5.224 139 HA HIS 18 HA HSD 18 85.707 -8.125 -2.402 140 HB2 HIS 18 HB2 HSD 18 85.180 -5.725 -4.140 141 HB3 HIS 18 HB1 HSD 18 84.146 -6.102 -2.766 142 HD1 HIS 18 HD1 HSD 18 86.608 -7.234 -0.993 143 HD2 HIS 18 HD2 HSD 18 86.379 -3.513 -2.847 144 HE1 HIS 18 HE1 HSD 18 88.200 -5.709 0.255 145 H THR 19 H THR 19 83.107 -7.648 -2.388 146 HA THR 19 HA THR 19 81.858 -9.136 -4.598 147 HB THR 19 HB THR 19 80.657 -10.071 -2.202 148 HG1 THR 19 HG1 THR 19 82.972 -11.112 -1.735 149 HG21 THR 19 HG21 THR 19 81.683 -12.249 -2.976 150 HG22 THR 19 HG22 THR 19 82.519 -11.330 -4.227 151 HG23 THR 19 HG23 THR 19 80.758 -11.393 -4.208 152 H VAL 20 H VAL 20 81.508 -7.189 -1.683 153 HA VAL 20 HA VAL 20 79.788 -5.866 -0.911 154 HB VAL 20 HB VAL 20 79.147 -4.123 -2.457 155 HG11 VAL 20 HG11 VAL 20 81.987 -5.081 -2.920 156 HG12 VAL 20 HG12 VAL 20 81.438 -4.044 -1.607 157 HG13 VAL 20 HG13 VAL 20 81.400 -3.454 -3.265 158 HG21 VAL 20 HG21 VAL 20 80.425 -5.757 -4.652 159 HG22 VAL 20 HG22 VAL 20 79.512 -4.263 -4.815 160 HG23 VAL 20 HG23 VAL 20 78.688 -5.752 -4.364 161 H GLU 21 H GLU 21 78.935 -8.570 -1.751 162 HA GLU 21 HA GLU 21 76.103 -7.913 -2.305 163 HB2 GLU 21 HB2 GLU 21 75.858 -9.783 -3.727 164 HB3 GLU 21 HB3 GLU 21 77.360 -9.018 -4.239 165 HG2 GLU 21 HG2 GLU 21 78.485 -10.655 -2.543 166 HG3 GLU 21 HG3 GLU 21 76.975 -11.553 -2.664 167 H LYS 22 H LYS 22 74.994 -8.265 -0.518 168 HA LYS 22 HA LYS 22 75.792 -9.677 1.725 169 HB2 LYS 22 HB2 LYS 22 73.231 -8.641 0.668 170 HB3 LYS 22 HB3 LYS 22 73.068 -9.953 1.831 171 HG2 LYS 22 HG2 LYS 22 74.907 -7.634 2.403 172 HG3 LYS 22 HG3 LYS 22 73.178 -7.497 2.716 173 HD2 LYS 22 HD2 LYS 22 74.676 -9.895 3.746 174 HD3 LYS 22 HD3 LYS 22 74.782 -8.366 4.617 175 HE2 LYS 22 HE2 LYS 22 72.313 -8.279 4.757 176 HE3 LYS 22 HE3 LYS 22 72.214 -9.822 3.912 177 HZ1 LYS 22 HZ1 LYS 22 73.956 -10.342 5.905 178 HZ2 LYS 22 HZ2 LYS 22 72.297 -10.705 5.940 179 HZ3 LYS 22 HZ3 LYS 22 72.871 -9.276 6.657 180 H GLY 23 H GLY 23 76.081 -11.767 2.140 181 HA2 GLY 23 HA2 GLY 23 75.644 -14.053 2.170 182 HA3 GLY 23 HA3 GLY 23 74.353 -13.798 1.003 183 H GLY 24 H GLY 24 77.533 -12.507 0.407 184 HA2 GLY 24 HA2 GLY 24 77.811 -14.324 -1.889 185 HA3 GLY 24 HA3 GLY 24 78.674 -12.807 -1.656 186 H LYS 25 H LYS 25 80.743 -13.575 -1.863 187 HA LYS 25 HA LYS 25 81.786 -15.045 0.425 188 HB2 LYS 25 HB2 LYS 25 82.814 -16.801 -0.821 189 HB3 LYS 25 HB3 LYS 25 81.123 -16.763 -1.316 190 HG2 LYS 25 HG2 LYS 25 81.922 -15.194 -3.216 191 HG3 LYS 25 HG3 LYS 25 83.541 -15.771 -2.821 192 HD2 LYS 25 HD2 LYS 25 82.665 -18.131 -3.075 193 HD3 LYS 25 HD3 LYS 25 81.170 -17.437 -3.703 194 HE2 LYS 25 HE2 LYS 25 82.237 -16.565 -5.618 195 HE3 LYS 25 HE3 LYS 25 83.840 -16.692 -4.895 196 HZ1 LYS 25 HZ1 LYS 25 82.293 -18.679 -6.289 197 HZ2 LYS 25 HZ2 LYS 25 82.954 -19.239 -4.827 198 HZ3 LYS 25 HZ3 LYS 25 83.967 -18.593 -6.028 199 H HIS 26 H HIS 26 83.577 -14.057 1.063 200 HA HIS 26 HA HIS 26 84.742 -11.890 -0.221 201 HB2 HIS 26 HB2 HIS 26 86.790 -12.610 1.299 202 HB3 HIS 26 HB1 HIS 26 85.306 -11.983 2.014 203 HD1 HIS 26 HD1 HIS 26 85.908 -15.478 0.635 204 HD2 HIS 26 HD2 HIS 26 85.054 -13.603 4.259 205 HE1 HIS 26 HE1 HIS 26 85.485 -17.326 2.316 206 HE2 HIS 26 HE2 HIS 26 84.966 -16.198 4.532 207 H LYS 27 H LYS 27 85.864 -11.752 -2.013 208 HA LYS 27 HA LYS 27 87.462 -14.080 -2.909 209 HB2 LYS 27 HB2 LYS 27 86.046 -11.901 -4.451 210 HB3 LYS 27 HB3 LYS 27 87.270 -12.938 -5.183 211 HG2 LYS 27 HG2 LYS 27 85.974 -14.894 -4.862 212 HG3 LYS 27 HG3 LYS 27 84.916 -14.101 -3.696 213 HD2 LYS 27 HD2 LYS 27 83.860 -14.393 -5.953 214 HD3 LYS 27 HD3 LYS 27 83.949 -12.710 -5.435 215 HE2 LYS 27 HE2 LYS 27 85.763 -12.239 -6.880 216 HE3 LYS 27 HE3 LYS 27 86.125 -13.947 -7.119 217 HZ1 LYS 27 HZ1 LYS 27 83.720 -13.987 -8.062 218 HZ2 LYS 27 HZ2 LYS 27 85.003 -13.443 -9.034 219 HZ3 LYS 27 HZ3 LYS 27 83.970 -12.324 -8.281 220 H THR 28 H THR 28 89.404 -13.611 -1.935 221 HA THR 28 HA THR 28 91.438 -12.592 -1.627 222 HB THR 28 HB THR 28 90.715 -11.033 -4.121 223 HG1 THR 28 HG1 THR 28 92.367 -13.149 -4.424 224 HG21 THR 28 HG21 THR 28 93.199 -11.440 -2.515 225 HG22 THR 28 HG22 THR 28 92.675 -10.033 -3.440 226 HG23 THR 28 HG23 THR 28 93.363 -11.426 -4.270 227 H GLY 29 H GLY 29 88.932 -11.463 -0.522 228 HA2 GLY 29 HA2 GLY 29 89.925 -9.268 0.848 229 HA3 GLY 29 HA3 GLY 29 89.063 -8.619 -0.542 230 HA PRO 30 HA PRO 30 86.178 -10.029 3.048 231 HB2 PRO 30 HB2 PRO 30 85.807 -7.625 4.324 232 HB3 PRO 30 HB1 PRO 30 87.038 -8.810 4.802 233 HG2 PRO 30 HG2 PRO 30 87.333 -6.334 3.168 234 HG3 PRO 30 HG1 PRO 30 88.399 -6.993 4.422 235 HD2 PRO 30 HD2 PRO 30 88.930 -7.280 1.766 236 HD3 PRO 30 HD1 PRO 30 89.405 -8.497 2.972 237 H ASN 31 H ASN 31 83.921 -9.169 3.413 238 HA ASN 31 HA ASN 31 82.902 -7.988 0.912 239 HB2 ASN 31 HB2 ASN 31 80.749 -8.905 1.576 240 HB3 ASN 31 HB1 ASN 31 81.974 -10.167 1.664 241 HD21 ASN 31 HD21 ASN 31 82.128 -11.266 3.633 242 HD22 ASN 31 HD22 ASN 31 81.446 -10.726 5.091 243 H LEU 32 H LEU 32 81.984 -6.036 0.851 244 HA LEU 32 HA LEU 32 82.070 -4.365 3.210 245 HB2 LEU 32 HB2 LEU 32 80.882 -3.596 0.549 246 HB3 LEU 32 HB3 LEU 32 81.611 -2.550 1.765 247 HG LEU 32 HG LEU 32 83.016 -4.534 -0.041 248 HD11 LEU 32 HD11 LEU 32 83.541 -1.589 0.445 249 HD12 LEU 32 HD12 LEU 32 82.474 -2.173 -0.830 250 HD13 LEU 32 HD13 LEU 32 84.185 -2.596 -0.852 251 HD21 LEU 32 HD21 LEU 32 85.088 -3.700 1.206 252 HD22 LEU 32 HD22 LEU 32 84.061 -4.829 2.089 253 HD23 LEU 32 HD23 LEU 32 83.982 -3.103 2.441 254 H HIS 33 H HIS 33 80.203 -6.600 3.292 255 HA HIS 33 HA HIS 33 77.539 -5.840 2.819 256 HB2 HIS 33 HB2 HIS 33 78.672 -7.667 4.953 257 HB3 HIS 33 HB1 HIS 33 76.967 -7.557 4.519 258 HD1 HIS 33 HD1 HIS 33 78.474 -10.217 4.125 259 HD2 HIS 33 HD2 HIS 33 78.085 -7.329 1.143 260 HE1 HIS 33 HE1 HIS 33 78.780 -11.420 1.918 261 HE2 HIS 33 HE2 HIS 33 78.541 -9.674 0.091 262 H GLY 34 H GLY 34 76.075 -4.645 3.949 263 HA2 GLY 34 HA2 GLY 34 75.465 -2.858 5.312 264 HA3 GLY 34 HA3 GLY 34 75.857 -4.025 6.572 265 H LEU 35 H LEU 35 78.268 -2.810 4.374 266 HA LEU 35 HA LEU 35 80.195 -2.152 6.204 267 HB2 LEU 35 HB2 LEU 35 80.588 -2.211 3.795 268 HB3 LEU 35 HB3 LEU 35 79.591 -0.777 3.577 269 HG LEU 35 HG LEU 35 81.280 0.287 5.320 270 HD11 LEU 35 HD11 LEU 35 82.857 -2.001 4.112 271 HD12 LEU 35 HD12 LEU 35 82.506 -1.759 5.821 272 HD13 LEU 35 HD13 LEU 35 83.573 -0.640 4.973 273 HD21 LEU 35 HD21 LEU 35 80.932 0.945 2.934 274 HD22 LEU 35 HD22 LEU 35 82.118 -0.267 2.460 275 HD23 LEU 35 HD23 LEU 35 82.609 1.106 3.452 276 H PHE 36 H PHE 36 77.944 0.192 4.720 277 HA PHE 36 HA PHE 36 78.676 2.424 6.197 278 HB2 PHE 36 HB2 PHE 36 75.855 1.769 5.322 279 HB3 PHE 36 HB1 PHE 36 76.542 3.370 5.605 280 HD1 PHE 36 HD2 PHE 36 76.615 0.399 3.393 281 HD2 PHE 36 HD1 PHE 36 77.987 4.431 3.975 282 HE1 PHE 36 HE2 PHE 36 77.446 0.457 1.058 283 HE2 PHE 36 HE1 PHE 36 78.814 4.486 1.649 284 HZ PHE 36 HZ PHE 36 78.544 2.502 0.187 285 H GLY 37 H GLY 37 79.133 1.785 8.320 286 HA2 GLY 37 HA2 GLY 37 77.724 2.415 10.409 287 HA3 GLY 37 HA3 GLY 37 76.866 0.935 9.998 288 H ARG 38 H ARG 38 79.445 -0.253 8.992 289 HA ARG 38 HA ARG 38 80.237 -1.480 11.470 290 HB2 ARG 38 HB2 ARG 38 81.111 -1.757 8.601 291 HB3 ARG 38 HB3 ARG 38 82.012 -2.533 9.899 292 HG2 ARG 38 HG2 ARG 38 79.322 -3.166 10.441 293 HG3 ARG 38 HG3 ARG 38 79.468 -3.315 8.692 294 HD2 ARG 38 HD2 ARG 38 80.758 -4.918 10.844 295 HD3 ARG 38 HD3 ARG 38 80.190 -5.423 9.256 296 HE ARG 38 HE ARG 38 82.846 -4.613 9.924 297 HH11 ARG 38 HH21 ARG 38 80.424 -4.524 7.451 298 HH12 ARG 38 HH22 ARG 38 81.562 -4.375 6.154 299 HH21 ARG 38 HH11 ARG 38 84.338 -4.412 8.230 300 HH22 ARG 38 HH12 ARG 38 83.776 -4.304 6.596 301 H LYS 39 H LYS 39 82.334 -1.497 12.375 302 HA LYS 39 HA LYS 39 83.707 1.072 12.161 303 HB2 LYS 39 HB2 LYS 39 83.353 -0.968 14.197 304 HB3 LYS 39 HB3 LYS 39 85.056 -0.565 14.010 305 HG2 LYS 39 HG2 LYS 39 82.927 1.568 14.268 306 HG3 LYS 39 HG3 LYS 39 83.703 0.851 15.678 307 HD2 LYS 39 HD2 LYS 39 85.937 1.448 14.443 308 HD3 LYS 39 HD3 LYS 39 84.926 2.556 13.518 309 HE2 LYS 39 HE2 LYS 39 85.488 2.555 16.478 310 HE3 LYS 39 HE3 LYS 39 85.673 3.875 15.322 311 HZ1 LYS 39 HZ1 LYS 39 83.319 2.975 16.738 312 HZ2 LYS 39 HZ2 LYS 39 83.066 3.318 15.093 313 HZ3 LYS 39 HZ3 LYS 39 83.697 4.511 16.125 314 H THR 40 H THR 40 85.750 1.343 11.354 315 HA THR 40 HA THR 40 86.767 -0.119 9.326 316 HB THR 40 HB THR 40 89.053 0.731 10.022 317 HG1 THR 40 HG1 THR 40 87.953 2.353 11.910 318 HG21 THR 40 HG21 THR 40 86.607 2.461 9.757 319 HG22 THR 40 HG22 THR 40 87.884 2.161 8.578 320 HG23 THR 40 HG23 THR 40 88.195 3.198 9.970 321 H GLY 41 H GLY 41 87.622 -2.069 9.016 322 HA2 GLY 41 HA2 GLY 41 88.467 -4.163 9.431 323 HA3 GLY 41 HA3 GLY 41 89.368 -3.420 10.748 324 H GLN 42 H GLN 42 85.878 -3.951 10.192 325 HA GLN 42 HA GLN 42 85.778 -5.354 12.804 326 HB2 GLN 42 HB2 GLN 42 84.632 -3.232 12.981 327 HB3 GLN 42 HB1 GLN 42 83.712 -3.559 11.513 328 HG2 GLN 42 HG2 GLN 42 82.455 -5.279 12.545 329 HG3 GLN 42 HG1 GLN 42 83.593 -5.424 13.883 330 HE21 GLN 42 HE21 GLN 42 81.123 -3.232 12.488 331 HE22 GLN 42 HE22 GLN 42 80.796 -2.428 13.947 332 H ALA 43 H ALA 43 85.096 -5.498 9.435 333 HA ALA 43 HA ALA 43 82.981 -7.325 9.367 334 HB1 ALA 43 HB1 ALA 43 85.015 -6.344 7.518 335 HB2 ALA 43 HB2 ALA 43 83.331 -6.762 7.211 336 HB3 ALA 43 HB3 ALA 43 84.567 -8.020 7.200 337 HA PRO 44 HA PRO 44 85.243 -10.821 11.075 338 HB2 PRO 44 HB2 PRO 44 83.170 -12.544 11.279 339 HB3 PRO 44 HB1 PRO 44 83.337 -11.148 12.364 340 HG2 PRO 44 HG2 PRO 44 81.595 -11.482 9.968 341 HG3 PRO 44 HG1 PRO 44 81.232 -10.725 11.528 342 HD2 PRO 44 HD2 PRO 44 81.911 -9.312 9.248 343 HD3 PRO 44 HD1 PRO 44 82.146 -8.705 10.904 344 H GLY 45 H GLY 45 86.598 -11.721 9.577 345 HA2 GLY 45 HA2 GLY 45 86.107 -14.021 8.207 346 HA3 GLY 45 HA3 GLY 45 85.644 -12.767 7.060 347 H PHE 46 H PHE 46 87.268 -11.181 6.449 348 HA PHE 46 HA PHE 46 89.797 -12.396 5.920 349 HB2 PHE 46 HB2 PHE 46 88.542 -10.665 4.496 350 HB3 PHE 46 HB1 PHE 46 89.185 -9.461 5.612 351 HD1 PHE 46 HD1 PHE 46 91.682 -9.259 5.917 352 HD2 PHE 46 HD2 PHE 46 89.921 -11.667 2.826 353 HE1 PHE 46 HE1 PHE 46 93.848 -9.293 4.709 354 HE2 PHE 46 HE2 PHE 46 92.087 -11.702 1.619 355 HZ PHE 46 HZ PHE 46 94.050 -10.515 2.560 356 H THR 47 H THR 47 91.866 -11.708 6.616 357 HA THR 47 HA THR 47 91.949 -10.942 9.402 358 HB THR 47 HB THR 47 94.189 -11.487 7.442 359 HG1 THR 47 HG1 THR 47 92.972 -13.099 9.433 360 HG21 THR 47 HG21 THR 47 95.023 -10.184 9.289 361 HG22 THR 47 HG22 THR 47 95.481 -11.863 9.579 362 HG23 THR 47 HG23 THR 47 94.119 -11.157 10.449 363 H TYR 48 H TYR 48 91.107 -8.790 9.268 364 HA TYR 48 HA TYR 48 92.179 -6.729 7.687 365 HB2 TYR 48 HB2 TYR 48 90.677 -6.796 10.289 366 HB3 TYR 48 HB3 TYR 48 91.293 -5.269 9.661 367 HD1 TYR 48 HD2 TYR 48 90.575 -4.461 7.412 368 HD2 TYR 48 HD1 TYR 48 88.794 -7.892 9.281 369 HE1 TYR 48 HE2 TYR 48 88.660 -4.315 5.849 370 HE2 TYR 48 HE1 TYR 48 86.876 -7.746 7.714 371 HH TYR 48 HH TYR 48 86.066 -5.158 6.043 372 H THR 49 H THR 49 93.650 -5.056 8.195 373 HA THR 49 HA THR 49 95.959 -5.956 9.672 374 HB THR 49 HB THR 49 96.931 -3.783 8.967 375 HG1 THR 49 HG1 THR 49 95.108 -2.504 9.010 376 HG21 THR 49 HG21 THR 49 96.736 -5.884 7.473 377 HG22 THR 49 HG22 THR 49 97.107 -4.352 6.683 378 HG23 THR 49 HG23 THR 49 95.466 -4.996 6.629 379 H ASP 50 H ASP 50 97.034 -4.503 11.277 380 HA ASP 50 HA ASP 50 95.385 -4.074 13.513 381 HB2 ASP 50 HB2 ASP 50 98.014 -2.666 13.099 382 HB3 ASP 50 HB1 ASP 50 97.306 -3.254 14.602 383 H ALA 51 H ALA 51 96.612 -1.847 11.054 384 HA ALA 51 HA ALA 51 95.764 0.560 12.225 385 HB1 ALA 51 HB1 ALA 51 96.221 -0.292 9.374 386 HB2 ALA 51 HB2 ALA 51 97.214 0.760 10.382 387 HB3 ALA 51 HB3 ALA 51 95.664 1.334 9.769 388 H ASN 52 H ASN 52 94.064 -1.755 10.159 389 HA ASN 52 HA ASN 52 91.665 -0.133 10.058 390 HB2 ASN 52 HB2 ASN 52 92.675 -2.554 8.771 391 HB3 ASN 52 HB1 ASN 52 90.984 -2.710 9.237 392 HD21 ASN 52 HD21 ASN 52 90.239 -2.559 7.008 393 HD22 ASN 52 HD22 ASN 52 90.301 -1.092 6.154 394 H LYS 53 H LYS 53 92.963 -2.683 12.025 395 HA LYS 53 HA LYS 53 90.413 -3.317 13.262 396 HB2 LYS 53 HB2 LYS 53 91.668 -5.235 13.315 397 HB3 LYS 53 HB3 LYS 53 93.192 -4.360 13.349 398 HG2 LYS 53 HG2 LYS 53 92.924 -3.864 15.710 399 HG3 LYS 53 HG3 LYS 53 91.304 -4.565 15.709 400 HD2 LYS 53 HD2 LYS 53 93.586 -6.271 14.777 401 HD3 LYS 53 HD3 LYS 53 93.414 -5.983 16.508 402 HE2 LYS 53 HE2 LYS 53 91.092 -6.909 14.809 403 HE3 LYS 53 HE3 LYS 53 92.209 -8.045 15.567 404 HZ1 LYS 53 HZ1 LYS 53 90.716 -5.937 17.030 405 HZ2 LYS 53 HZ2 LYS 53 91.677 -7.164 17.707 406 HZ3 LYS 53 HZ3 LYS 53 90.223 -7.556 16.923 407 H ASN 54 H ASN 54 92.739 -0.937 13.479 408 HA ASN 54 HA ASN 54 92.877 -0.456 16.267 409 HB2 ASN 54 HB2 ASN 54 93.962 1.506 15.693 410 HB3 ASN 54 HB1 ASN 54 94.246 0.533 14.257 411 HD21 ASN 54 HD21 ASN 54 91.579 0.787 13.120 412 HD22 ASN 54 HD22 ASN 54 91.384 2.402 12.641 413 H LYS 55 H LYS 55 90.434 -0.003 13.938 414 HA LYS 55 HA LYS 55 88.325 0.928 14.014 415 HB2 LYS 55 HB2 LYS 55 88.827 0.562 16.973 416 HB3 LYS 55 HB3 LYS 55 87.270 1.024 16.286 417 HG2 LYS 55 HG2 LYS 55 87.091 -1.036 15.071 418 HG3 LYS 55 HG3 LYS 55 88.767 -1.458 15.416 419 HD2 LYS 55 HD2 LYS 55 87.621 -2.754 16.988 420 HD3 LYS 55 HD3 LYS 55 88.005 -1.315 17.929 421 HE2 LYS 55 HE2 LYS 55 85.702 -0.428 17.098 422 HE3 LYS 55 HE3 LYS 55 85.370 -2.114 16.705 423 HZ1 LYS 55 HZ1 LYS 55 85.787 -0.862 19.323 424 HZ2 LYS 55 HZ2 LYS 55 86.242 -2.486 19.117 425 HZ3 LYS 55 HZ3 LYS 55 84.634 -2.012 18.848 426 H GLY 56 H GLY 56 89.787 2.854 13.274 427 HA2 GLY 56 HA2 GLY 56 90.046 5.015 15.170 428 HA3 GLY 56 HA3 GLY 56 90.408 5.087 13.449 429 H ILE 57 H ILE 57 87.977 4.344 12.348 430 HA ILE 57 HA ILE 57 85.951 6.138 13.476 431 HB ILE 57 HB ILE 57 85.658 7.374 11.417 432 HG12 ILE 57 HG12 ILE 57 87.526 7.016 9.631 433 HG13 ILE 57 HG13 ILE 57 87.754 5.448 10.402 434 HG21 ILE 57 HG21 ILE 57 87.687 8.673 11.451 435 HG22 ILE 57 HG22 ILE 57 88.612 7.306 12.076 436 HG23 ILE 57 HG23 ILE 57 87.402 8.091 13.091 437 HD11 ILE 57 HD11 ILE 57 85.916 6.004 8.405 438 HD12 ILE 57 HD12 ILE 57 84.927 6.045 9.860 439 HD13 ILE 57 HD13 ILE 57 85.866 4.606 9.473 440 H THR 58 H THR 58 83.873 5.960 12.281 441 HA THR 58 HA THR 58 83.423 3.152 11.553 442 HB THR 58 HB THR 58 81.523 5.374 12.317 443 HG1 THR 58 HG1 THR 58 82.766 4.426 13.993 444 HG21 THR 58 HG21 THR 58 81.051 2.522 11.445 445 HG22 THR 58 HG22 THR 58 80.333 3.992 10.786 446 HG23 THR 58 HG23 THR 58 79.870 3.427 12.392 447 H TRP 59 H TRP 59 82.674 2.498 9.595 448 HA TRP 59 HA TRP 59 83.055 4.151 7.333 449 HB2 TRP 59 HB2 TRP 59 81.500 1.569 7.611 450 HB3 TRP 59 HB1 TRP 59 81.899 2.341 6.080 451 HD1 TRP 59 HD1 TRP 59 83.150 -0.216 8.320 452 HE1 TRP 59 HE1 TRP 59 85.642 -0.715 7.887 453 HE3 TRP 59 HE3 TRP 59 84.375 3.831 5.456 454 HZ2 TRP 59 HZ2 TRP 59 87.863 0.454 6.514 455 HZ3 TRP 59 HZ3 TRP 59 86.682 4.112 4.601 456 HH2 TRP 59 HH2 TRP 59 88.427 2.431 5.125 457 H LYS 60 H LYS 60 81.669 5.282 6.079 458 HA LYS 60 HA LYS 60 78.806 5.253 6.533 459 HB2 LYS 60 HB2 LYS 60 80.484 7.692 7.184 460 HB3 LYS 60 HB3 LYS 60 78.732 7.718 6.989 461 HG2 LYS 60 HG2 LYS 60 78.652 5.886 8.779 462 HG3 LYS 60 HG3 LYS 60 80.343 6.269 9.098 463 HD2 LYS 60 HD2 LYS 60 78.225 8.422 9.082 464 HD3 LYS 60 HD3 LYS 60 78.566 7.478 10.531 465 HE2 LYS 60 HE2 LYS 60 80.928 8.156 10.434 466 HE3 LYS 60 HE3 LYS 60 80.609 9.084 8.969 467 HZ1 LYS 60 HZ1 LYS 60 79.310 9.553 11.597 468 HZ2 LYS 60 HZ2 LYS 60 79.086 10.474 10.186 469 HZ3 LYS 60 HZ3 LYS 60 80.594 10.467 10.970 470 H GLU 61 H GLU 61 78.208 7.655 5.233 471 HA GLU 61 HA GLU 61 78.759 6.928 2.516 472 HB2 GLU 61 HB2 GLU 61 76.622 7.979 3.259 473 HB3 GLU 61 HB3 GLU 61 77.507 9.472 3.575 474 HG2 GLU 61 HG2 GLU 61 78.158 9.643 1.240 475 HG3 GLU 61 HG3 GLU 61 77.436 8.073 0.888 476 H GLU 62 H GLU 62 79.504 9.876 4.403 477 HA GLU 62 HA GLU 62 81.283 10.928 2.450 478 HB2 GLU 62 HB2 GLU 62 81.427 11.626 5.376 479 HB3 GLU 62 HB3 GLU 62 81.700 12.660 3.974 480 HG2 GLU 62 HG2 GLU 62 79.569 13.361 4.467 481 HG3 GLU 62 HG3 GLU 62 79.140 11.963 3.485 482 H THR 63 H THR 63 81.876 9.282 5.562 483 HA THR 63 HA THR 63 84.621 9.334 5.655 484 HB THR 63 HB THR 63 84.491 7.165 6.847 485 HG1 THR 63 HG1 THR 63 81.901 7.246 5.742 486 HG21 THR 63 HG21 THR 63 82.765 7.912 8.543 487 HG22 THR 63 HG22 THR 63 82.375 9.234 7.444 488 HG23 THR 63 HG23 THR 63 83.991 9.113 8.140 489 H LEU 64 H LEU 64 82.533 7.272 3.719 490 HA LEU 64 HA LEU 64 84.619 5.625 2.694 491 HB2 LEU 64 HB2 LEU 64 81.745 5.943 2.285 492 HB3 LEU 64 HB3 LEU 64 82.593 5.596 0.785 493 HG LEU 64 HG LEU 64 82.872 3.979 3.335 494 HD11 LEU 64 HD11 LEU 64 80.984 3.855 1.060 495 HD12 LEU 64 HD12 LEU 64 80.834 3.197 2.689 496 HD13 LEU 64 HD13 LEU 64 81.755 2.322 1.464 497 HD21 LEU 64 HD21 LEU 64 84.291 4.026 0.739 498 HD22 LEU 64 HD22 LEU 64 83.736 2.425 1.229 499 HD23 LEU 64 HD23 LEU 64 84.797 3.352 2.287 500 H MET 65 H MET 65 83.136 8.661 1.662 501 HA MET 65 HA MET 65 84.237 8.798 -0.923 502 HB2 MET 65 HB2 MET 65 83.650 11.054 1.010 503 HB3 MET 65 HB1 MET 65 83.958 11.248 -0.714 504 HG2 MET 65 HG2 MET 65 82.002 9.965 -1.286 505 HG3 MET 65 HG1 MET 65 81.754 9.503 0.395 506 HE1 MET 65 HE1 MET 65 81.717 12.277 -2.254 507 HE2 MET 65 HE2 MET 65 80.200 13.049 -1.802 508 HE3 MET 65 HE3 MET 65 80.227 11.326 -2.169 509 H GLU 66 H GLU 66 85.492 10.271 2.086 510 HA GLU 66 HA GLU 66 87.924 11.161 1.000 511 HB2 GLU 66 HB2 GLU 66 87.503 10.217 3.844 512 HB3 GLU 66 HB3 GLU 66 88.682 11.396 3.268 513 HG2 GLU 66 HG2 GLU 66 86.662 12.752 2.430 514 HG3 GLU 66 HG3 GLU 66 85.683 11.689 3.440 515 H TYR 67 H TYR 67 86.854 8.039 2.083 516 HA TYR 67 HA TYR 67 89.477 6.849 2.210 517 HB2 TYR 67 HB2 TYR 67 87.610 5.969 3.546 518 HB3 TYR 67 HB3 TYR 67 86.729 5.591 2.067 519 HD1 TYR 67 HD1 TYR 67 89.817 4.814 3.992 520 HD2 TYR 67 HD2 TYR 67 87.167 3.606 0.835 521 HE1 TYR 67 HE1 TYR 67 90.980 2.629 3.853 522 HE2 TYR 67 HE2 TYR 67 88.332 1.421 0.694 523 HH TYR 67 HH TYR 67 90.337 0.368 1.275 524 H LEU 68 H LEU 68 86.975 7.279 -0.190 525 HA LEU 68 HA LEU 68 88.091 5.386 -2.060 526 HB2 LEU 68 HB2 LEU 68 85.891 7.438 -2.174 527 HB3 LEU 68 HB3 LEU 68 86.445 6.639 -3.639 528 HG LEU 68 HG LEU 68 85.372 5.260 -1.160 529 HD11 LEU 68 HD11 LEU 68 83.673 6.413 -2.539 530 HD12 LEU 68 HD12 LEU 68 83.499 4.659 -2.616 531 HD13 LEU 68 HD13 LEU 68 84.241 5.533 -3.956 532 HD21 LEU 68 HD21 LEU 68 85.349 3.368 -3.084 533 HD22 LEU 68 HD22 LEU 68 86.702 3.579 -1.975 534 HD23 LEU 68 HD23 LEU 68 86.771 4.272 -3.595 535 H GLU 69 H GLU 69 88.600 8.713 -1.276 536 HA GLU 69 HA GLU 69 89.881 9.318 -3.827 537 HB2 GLU 69 HB2 GLU 69 88.747 11.197 -3.087 538 HB3 GLU 69 HB3 GLU 69 89.078 10.859 -1.390 539 HG2 GLU 69 HG2 GLU 69 91.322 11.626 -1.570 540 HG3 GLU 69 HG3 GLU 69 91.257 11.624 -3.332 541 H ASN 70 H ASN 70 90.687 8.012 -0.806 542 HA ASN 70 HA ASN 70 93.430 7.678 -1.476 543 HB2 ASN 70 HB2 ASN 70 94.410 9.049 0.320 544 HB3 ASN 70 HB1 ASN 70 93.571 10.046 -0.865 545 HD21 ASN 70 HD21 ASN 70 93.552 8.975 2.480 546 HD22 ASN 70 HD22 ASN 70 92.241 9.933 2.971 547 HA PRO 71 HA PRO 71 91.291 4.900 1.634 548 HB2 PRO 71 HB2 PRO 71 92.315 2.595 0.389 549 HB3 PRO 71 HB1 PRO 71 90.680 3.249 0.197 550 HG2 PRO 71 HG2 PRO 71 93.011 3.448 -1.602 551 HG3 PRO 71 HG1 PRO 71 91.282 3.467 -1.977 552 HD2 PRO 71 HD2 PRO 71 92.873 5.704 -2.022 553 HD3 PRO 71 HD1 PRO 71 91.124 5.754 -1.728 554 H LYS 72 H LYS 72 94.539 5.114 0.356 555 HA LYS 72 HA LYS 72 95.704 3.566 2.517 556 HB2 LYS 72 HB2 LYS 72 96.686 3.540 0.246 557 HB3 LYS 72 HB3 LYS 72 97.039 5.259 0.395 558 HG2 LYS 72 HG2 LYS 72 99.014 4.689 1.342 559 HG3 LYS 72 HG3 LYS 72 98.104 4.125 2.740 560 HD2 LYS 72 HD2 LYS 72 98.652 2.400 0.309 561 HD3 LYS 72 HD3 LYS 72 99.675 2.413 1.745 562 HE2 LYS 72 HE2 LYS 72 96.736 1.679 1.635 563 HE3 LYS 72 HE3 LYS 72 98.083 0.584 1.936 564 HZ1 LYS 72 HZ1 LYS 72 96.911 2.613 3.694 565 HZ2 LYS 72 HZ2 LYS 72 98.571 2.283 3.839 566 HZ3 LYS 72 HZ3 LYS 72 97.433 1.041 4.056 567 H LYS 73 H LYS 73 95.678 6.984 1.500 568 HA LYS 73 HA LYS 73 97.226 7.875 3.718 569 HB2 LYS 73 HB2 LYS 73 96.642 9.016 1.388 570 HB3 LYS 73 HB3 LYS 73 95.342 9.736 2.336 571 HG2 LYS 73 HG2 LYS 73 97.142 10.358 4.054 572 HG3 LYS 73 HG3 LYS 73 98.320 9.937 2.812 573 HD2 LYS 73 HD2 LYS 73 98.065 12.194 2.353 574 HD3 LYS 73 HD3 LYS 73 96.799 11.536 1.317 575 HE2 LYS 73 HE2 LYS 73 95.762 13.308 2.524 576 HE3 LYS 73 HE3 LYS 73 95.221 11.831 3.318 577 HZ1 LYS 73 HZ1 LYS 73 97.022 13.902 4.278 578 HZ2 LYS 73 HZ2 LYS 73 97.442 12.305 4.676 579 HZ3 LYS 73 HZ3 LYS 73 95.930 12.929 5.137 580 H TYR 74 H TYR 74 94.014 6.835 3.512 581 HA TYR 74 HA TYR 74 92.983 8.583 5.590 582 HB2 TYR 74 HB2 TYR 74 91.714 7.336 3.606 583 HB3 TYR 74 HB3 TYR 74 91.579 6.061 4.814 584 HD1 TYR 74 HD1 TYR 74 91.260 9.807 4.654 585 HD2 TYR 74 HD2 TYR 74 89.663 6.108 6.144 586 HE1 TYR 74 HE1 TYR 74 89.409 11.044 5.742 587 HE2 TYR 74 HE2 TYR 74 87.814 7.347 7.235 588 HH TYR 74 HH TYR 74 87.753 10.226 8.040 589 H ILE 75 H ILE 75 93.532 5.063 5.314 590 HA ILE 75 HA ILE 75 94.101 5.016 8.222 591 HB ILE 75 HB ILE 75 92.623 2.885 6.654 592 HG12 ILE 75 HG12 ILE 75 91.468 4.575 8.869 593 HG13 ILE 75 HG13 ILE 75 91.458 5.167 7.211 594 HG21 ILE 75 HG21 ILE 75 93.490 3.170 9.537 595 HG22 ILE 75 HG22 ILE 75 93.790 1.826 8.435 596 HG23 ILE 75 HG23 ILE 75 92.168 2.102 9.068 597 HD11 ILE 75 HD11 ILE 75 89.373 3.895 7.926 598 HD12 ILE 75 HD12 ILE 75 90.380 2.448 7.978 599 HD13 ILE 75 HD13 ILE 75 90.151 3.308 6.456 600 HA PRO 76 HA PRO 76 97.769 3.612 5.628 601 HB2 PRO 76 HB2 PRO 76 98.915 4.400 8.287 602 HB3 PRO 76 HB1 PRO 76 99.557 4.679 6.656 603 HG2 PRO 76 HG2 PRO 76 98.362 6.624 8.029 604 HG3 PRO 76 HG1 PRO 76 98.179 6.477 6.273 605 HD2 PRO 76 HD2 PRO 76 96.199 5.900 8.420 606 HD3 PRO 76 HD1 PRO 76 95.926 6.370 6.728 607 H GLY 77 H GLY 77 98.581 1.571 5.657 608 HA2 GLY 77 HA2 GLY 77 99.492 -0.341 6.831 609 HA3 GLY 77 HA3 GLY 77 98.362 -0.017 8.144 610 H THR 78 H THR 78 96.160 0.546 6.267 611 HA THR 78 HA THR 78 94.929 -1.953 6.169 612 HB THR 78 HB THR 78 93.740 0.215 5.995 613 HG1 THR 78 HG1 THR 78 92.290 -1.053 5.197 614 HG21 THR 78 HG21 THR 78 93.786 1.489 3.979 615 HG22 THR 78 HG22 THR 78 94.663 0.222 3.121 616 HG23 THR 78 HG23 THR 78 95.471 1.153 4.381 617 H LYS 79 H LYS 79 94.729 -3.540 4.610 618 HA LYS 79 HA LYS 79 96.801 -3.528 2.549 619 HB2 LYS 79 HB2 LYS 79 96.008 -5.510 4.143 620 HB3 LYS 79 HB3 LYS 79 94.862 -5.785 2.835 621 HG2 LYS 79 HG2 LYS 79 97.879 -5.631 2.557 622 HG3 LYS 79 HG3 LYS 79 96.901 -7.094 2.452 623 HD2 LYS 79 HD2 LYS 79 95.645 -5.955 0.541 624 HD3 LYS 79 HD3 LYS 79 96.926 -4.743 0.551 625 HE2 LYS 79 HE2 LYS 79 98.599 -6.592 0.273 626 HE3 LYS 79 HE3 LYS 79 97.255 -7.719 0.090 627 HZ1 LYS 79 HZ1 LYS 79 96.777 -6.960 -1.955 628 HZ2 LYS 79 HZ2 LYS 79 98.395 -6.439 -1.945 629 HZ3 LYS 79 HZ3 LYS 79 97.145 -5.348 -1.576 630 H MET 80 H MET 80 96.038 -2.019 1.066 631 HA MET 80 HA MET 80 94.346 -2.991 -0.976 632 HB2 MET 80 HB2 MET 80 92.527 -2.547 0.587 633 HB3 MET 80 HB1 MET 80 93.117 -0.907 0.847 634 HG2 MET 80 HG2 MET 80 92.595 -0.258 -1.388 635 HG3 MET 80 HG1 MET 80 92.355 -1.929 -1.894 636 HE1 MET 80 HE1 MET 80 90.712 1.147 -1.410 637 HE2 MET 80 HE2 MET 80 89.045 0.592 -1.529 638 HE3 MET 80 HE3 MET 80 90.230 0.059 -2.719 639 H ILE 81 H ILE 81 95.971 -2.291 -2.323 640 HA ILE 81 HA ILE 81 96.231 0.641 -2.611 641 HB ILE 81 HB ILE 81 98.460 -1.394 -2.864 642 HG12 ILE 81 HG12 ILE 81 99.314 0.286 -0.962 643 HG13 ILE 81 HG13 ILE 81 97.583 0.499 -0.705 644 HG21 ILE 81 HG21 ILE 81 98.850 0.340 -4.451 645 HG22 ILE 81 HG22 ILE 81 99.825 0.766 -3.044 646 HG23 ILE 81 HG23 ILE 81 98.292 1.588 -3.337 647 HD11 ILE 81 HD11 ILE 81 97.661 -2.196 -0.842 648 HD12 ILE 81 HD12 ILE 81 97.896 -1.319 0.668 649 HD13 ILE 81 HD13 ILE 81 99.291 -1.897 -0.241 650 H PHE 82 H PHE 82 94.794 0.699 -4.332 651 HA PHE 82 HA PHE 82 95.744 -0.613 -6.813 652 HB2 PHE 82 HB2 PHE 82 93.728 -1.748 -6.206 653 HB3 PHE 82 HB1 PHE 82 92.913 -0.232 -5.822 654 HD1 PHE 82 HD2 PHE 82 94.831 -1.706 -8.700 655 HD2 PHE 82 HD1 PHE 82 91.403 0.543 -7.419 656 HE1 PHE 82 HE2 PHE 82 94.073 -1.521 -11.054 657 HE2 PHE 82 HE1 PHE 82 90.645 0.728 -9.772 658 HZ PHE 82 HZ PHE 82 91.980 -0.304 -11.590 659 H ALA 83 H ALA 83 93.090 1.662 -6.289 660 HA ALA 83 HA ALA 83 94.543 3.967 -7.167 661 HB1 ALA 83 HB1 ALA 83 93.337 4.258 -9.318 662 HB2 ALA 83 HB2 ALA 83 92.668 2.636 -9.136 663 HB3 ALA 83 HB3 ALA 83 94.407 2.856 -9.331 664 H GLY 84 H GLY 84 93.618 5.369 -5.814 665 HA2 GLY 84 HA2 GLY 84 91.027 5.189 -4.742 666 HA3 GLY 84 HA3 GLY 84 92.018 6.646 -4.764 667 H ILE 85 H ILE 85 90.455 8.114 -5.324 668 HA ILE 85 HA ILE 85 89.485 7.952 -8.095 669 HB ILE 85 HB ILE 85 87.804 8.099 -5.621 670 HG12 ILE 85 HG12 ILE 85 87.319 6.955 -8.389 671 HG13 ILE 85 HG13 ILE 85 88.032 6.048 -7.057 672 HG21 ILE 85 HG21 ILE 85 87.260 10.224 -6.652 673 HG22 ILE 85 HG22 ILE 85 85.966 9.090 -7.021 674 HG23 ILE 85 HG23 ILE 85 87.168 9.474 -8.247 675 HD11 ILE 85 HD11 ILE 85 85.388 7.440 -6.680 676 HD12 ILE 85 HD12 ILE 85 86.042 6.046 -5.822 677 HD13 ILE 85 HD13 ILE 85 85.457 5.868 -7.474 678 H LYS 86 H LYS 86 88.823 10.051 -8.952 679 HA LYS 86 HA LYS 86 90.327 12.237 -7.654 680 HB2 LYS 86 HB2 LYS 86 89.672 11.630 -10.529 681 HB3 LYS 86 HB3 LYS 86 90.210 13.231 -10.019 682 HG2 LYS 86 HG2 LYS 86 92.302 12.411 -9.260 683 HG3 LYS 86 HG3 LYS 86 91.745 10.737 -9.275 684 HD2 LYS 86 HD2 LYS 86 91.702 12.266 -11.855 685 HD3 LYS 86 HD3 LYS 86 93.255 11.692 -11.251 686 HE2 LYS 86 HE2 LYS 86 90.880 9.840 -11.411 687 HE3 LYS 86 HE3 LYS 86 91.911 10.119 -12.815 688 HZ1 LYS 86 HZ1 LYS 86 92.796 8.263 -11.702 689 HZ2 LYS 86 HZ2 LYS 86 92.684 9.009 -10.180 690 HZ3 LYS 86 HZ3 LYS 86 93.825 9.554 -11.313 691 H LYS 87 H LYS 87 87.316 11.706 -9.565 692 HA LYS 87 HA LYS 87 86.359 14.338 -8.765 693 HB2 LYS 87 HB2 LYS 87 84.898 12.198 -10.315 694 HB3 LYS 87 HB3 LYS 87 84.492 13.908 -10.224 695 HG2 LYS 87 HG2 LYS 87 87.174 12.973 -11.257 696 HG3 LYS 87 HG3 LYS 87 85.774 13.115 -12.318 697 HD2 LYS 87 HD2 LYS 87 85.531 15.508 -11.488 698 HD3 LYS 87 HD3 LYS 87 87.110 15.315 -10.726 699 HE2 LYS 87 HE2 LYS 87 88.085 14.732 -12.930 700 HE3 LYS 87 HE3 LYS 87 86.509 14.982 -13.680 701 HZ1 LYS 87 HZ1 LYS 87 88.348 16.887 -13.452 702 HZ2 LYS 87 HZ2 LYS 87 87.478 17.154 -12.019 703 HZ3 LYS 87 HZ3 LYS 87 86.683 17.202 -13.520 704 H LYS 88 H LYS 88 84.279 14.666 -7.767 705 HA LYS 88 HA LYS 88 83.939 13.063 -5.423 706 HB2 LYS 88 HB2 LYS 88 83.465 15.409 -5.262 707 HB3 LYS 88 HB3 LYS 88 82.328 15.332 -6.606 708 HG2 LYS 88 HG2 LYS 88 81.712 13.470 -4.383 709 HG3 LYS 88 HG3 LYS 88 81.613 15.173 -3.947 710 HD2 LYS 88 HD2 LYS 88 80.196 15.480 -6.067 711 HD3 LYS 88 HD3 LYS 88 80.090 13.720 -6.118 712 HE2 LYS 88 HE2 LYS 88 78.151 14.555 -4.933 713 HE3 LYS 88 HE3 LYS 88 79.213 13.777 -3.762 714 HZ1 LYS 88 HZ1 LYS 88 80.100 16.349 -3.849 715 HZ2 LYS 88 HZ2 LYS 88 79.102 15.681 -2.646 716 HZ3 LYS 88 HZ3 LYS 88 78.416 16.518 -3.955 717 H THR 89 H THR 89 81.812 13.716 -8.223 718 HA THR 89 HA THR 89 79.752 11.976 -7.620 719 HB THR 89 HB THR 89 79.349 11.834 -10.055 720 HG1 THR 89 HG1 THR 89 80.997 12.031 -11.311 721 HG21 THR 89 HG21 THR 89 78.532 13.800 -8.936 722 HG22 THR 89 HG22 THR 89 79.266 14.332 -10.448 723 HG23 THR 89 HG23 THR 89 80.137 14.529 -8.927 724 H GLU 90 H GLU 90 82.983 11.249 -8.691 725 HA GLU 90 HA GLU 90 82.498 8.605 -9.613 726 HB2 GLU 90 HB2 GLU 90 84.929 10.100 -8.673 727 HB3 GLU 90 HB3 GLU 90 85.021 8.359 -8.928 728 HG2 GLU 90 HG2 GLU 90 84.406 8.583 -11.230 729 HG3 GLU 90 HG3 GLU 90 83.975 10.277 -11.015 730 H ARG 91 H ARG 91 83.361 9.991 -6.473 731 HA ARG 91 HA ARG 91 83.414 7.425 -5.143 732 HB2 ARG 91 HB2 ARG 91 83.115 10.109 -3.790 733 HB3 ARG 91 HB3 ARG 91 83.839 8.637 -3.151 734 HG2 ARG 91 HG2 ARG 91 85.667 8.816 -4.795 735 HG3 ARG 91 HG3 ARG 91 84.943 10.293 -5.434 736 HD2 ARG 91 HD2 ARG 91 85.092 10.765 -2.689 737 HD3 ARG 91 HD3 ARG 91 86.599 9.930 -3.054 738 HE ARG 91 HE ARG 91 86.411 11.811 -5.027 739 HH11 ARG 91 HH21 ARG 91 86.230 11.844 -1.568 740 HH12 ARG 91 HH22 ARG 91 86.863 13.449 -1.416 741 HH21 ARG 91 HH11 ARG 91 87.242 13.913 -4.830 742 HH22 ARG 91 HH12 ARG 91 87.436 14.620 -3.262 743 H GLU 92 H GLU 92 81.206 10.225 -5.161 744 HA GLU 92 HA GLU 92 79.265 9.221 -3.432 745 HB2 GLU 92 HB2 GLU 92 79.437 11.563 -4.456 746 HB3 GLU 92 HB3 GLU 92 78.614 10.888 -5.864 747 HG2 GLU 92 HG2 GLU 92 76.911 11.813 -4.446 748 HG3 GLU 92 HG3 GLU 92 76.812 10.061 -4.283 749 H ASP 93 H ASP 93 79.331 9.031 -7.012 750 HA ASP 93 HA ASP 93 77.022 7.438 -7.267 751 HB2 ASP 93 HB2 ASP 93 79.463 7.516 -9.060 752 HB3 ASP 93 HB1 ASP 93 77.878 6.883 -9.501 753 H LEU 94 H LEU 94 80.458 6.513 -7.221 754 HA LEU 94 HA LEU 94 80.169 3.750 -7.373 755 HB2 LEU 94 HB2 LEU 94 82.353 4.845 -7.508 756 HB3 LEU 94 HB3 LEU 94 82.198 5.378 -5.836 757 HG LEU 94 HG LEU 94 82.257 3.107 -5.027 758 HD11 LEU 94 HD11 LEU 94 82.755 1.304 -6.848 759 HD12 LEU 94 HD12 LEU 94 82.015 2.462 -7.953 760 HD13 LEU 94 HD13 LEU 94 81.089 1.822 -6.595 761 HD21 LEU 94 HD21 LEU 94 84.399 4.397 -5.984 762 HD22 LEU 94 HD22 LEU 94 84.435 3.007 -7.068 763 HD23 LEU 94 HD23 LEU 94 84.513 2.768 -5.326 764 H ILE 95 H ILE 95 79.906 5.931 -4.638 765 HA ILE 95 HA ILE 95 79.713 3.841 -2.693 766 HB ILE 95 HB ILE 95 79.290 6.821 -2.599 767 HG12 ILE 95 HG12 ILE 95 81.245 5.112 -1.058 768 HG13 ILE 95 HG13 ILE 95 81.570 5.581 -2.722 769 HG21 ILE 95 HG21 ILE 95 77.782 6.238 -0.926 770 HG22 ILE 95 HG22 ILE 95 79.284 6.216 -0.003 771 HG23 ILE 95 HG23 ILE 95 78.588 4.706 -0.591 772 HD11 ILE 95 HD11 ILE 95 80.781 7.673 -0.722 773 HD12 ILE 95 HD12 ILE 95 81.728 7.844 -2.198 774 HD13 ILE 95 HD13 ILE 95 82.445 7.096 -0.777 775 H ALA 96 H ALA 96 77.478 5.707 -4.623 776 HA ALA 96 HA ALA 96 75.114 5.116 -3.171 777 HB1 ALA 96 HB1 ALA 96 74.024 5.557 -5.457 778 HB2 ALA 96 HB2 ALA 96 75.656 5.892 -6.033 779 HB3 ALA 96 HB3 ALA 96 74.958 6.873 -4.746 780 H TYR 97 H TYR 97 76.944 3.447 -5.661 781 HA TYR 97 HA TYR 97 74.990 1.382 -6.092 782 HB2 TYR 97 HB2 TYR 97 76.513 1.771 -7.885 783 HB3 TYR 97 HB3 TYR 97 77.911 1.664 -6.816 784 HD1 TYR 97 HD1 TYR 97 75.167 -0.284 -8.390 785 HD2 TYR 97 HD2 TYR 97 78.858 -0.450 -6.200 786 HE1 TYR 97 HE1 TYR 97 75.301 -2.725 -8.801 787 HE2 TYR 97 HE2 TYR 97 78.990 -2.891 -6.613 788 HH TYR 97 HH TYR 97 76.878 -4.497 -8.840 789 H LEU 98 H LEU 98 77.841 1.842 -4.079 790 HA LEU 98 HA LEU 98 78.176 -0.767 -3.116 791 HB2 LEU 98 HB2 LEU 98 78.760 1.959 -2.004 792 HB3 LEU 98 HB3 LEU 98 79.033 0.530 -1.015 793 HG LEU 98 HG LEU 98 80.164 0.754 -3.810 794 HD11 LEU 98 HD11 LEU 98 80.966 2.186 -1.377 795 HD12 LEU 98 HD12 LEU 98 81.453 2.451 -3.048 796 HD13 LEU 98 HD13 LEU 98 82.270 1.231 -2.079 797 HD21 LEU 98 HD21 LEU 98 81.898 -0.770 -2.612 798 HD22 LEU 98 HD22 LEU 98 80.329 -1.465 -3.011 799 HD23 LEU 98 HD23 LEU 98 80.665 -0.942 -1.362 800 H LYS 99 H LYS 99 76.225 1.933 -1.885 801 HA LYS 99 HA LYS 99 75.219 0.697 0.412 802 HB2 LYS 99 HB2 LYS 99 74.113 2.866 -1.368 803 HB3 LYS 99 HB3 LYS 99 73.294 2.345 0.105 804 HG2 LYS 99 HG2 LYS 99 75.453 2.781 1.352 805 HG3 LYS 99 HG3 LYS 99 76.081 3.514 -0.121 806 HD2 LYS 99 HD2 LYS 99 73.480 4.407 1.138 807 HD3 LYS 99 HD3 LYS 99 75.032 5.113 1.588 808 HE2 LYS 99 HE2 LYS 99 75.408 5.578 -0.884 809 HE3 LYS 99 HE3 LYS 99 73.723 5.127 -1.142 810 HZ1 LYS 99 HZ1 LYS 99 74.578 7.208 0.789 811 HZ2 LYS 99 HZ2 LYS 99 72.999 6.872 0.259 812 HZ3 LYS 99 HZ3 LYS 99 74.131 7.551 -0.811 813 H LYS 100 H LYS 100 73.624 1.019 -2.777 814 HA LYS 100 HA LYS 100 71.448 -0.685 -2.066 815 HB2 LYS 100 HB2 LYS 100 71.509 1.088 -3.909 816 HB3 LYS 100 HB3 LYS 100 72.365 -0.108 -4.880 817 HG2 LYS 100 HG2 LYS 100 70.285 -1.623 -3.969 818 HG3 LYS 100 HG3 LYS 100 69.514 -0.040 -4.045 819 HD2 LYS 100 HD2 LYS 100 69.153 -0.872 -6.205 820 HD3 LYS 100 HD3 LYS 100 70.606 0.101 -6.419 821 HE2 LYS 100 HE2 LYS 100 71.824 -2.177 -5.796 822 HE3 LYS 100 HE3 LYS 100 70.314 -2.880 -6.372 823 HZ1 LYS 100 HZ1 LYS 100 70.800 -1.096 -8.284 824 HZ2 LYS 100 HZ2 LYS 100 71.326 -2.710 -8.351 825 HZ3 LYS 100 HZ3 LYS 100 72.390 -1.487 -7.841 826 H ALA 101 H ALA 101 74.641 -1.273 -3.286 827 HA ALA 101 HA ALA 101 74.013 -3.953 -4.227 828 HB1 ALA 101 HB1 ALA 101 76.671 -2.537 -3.925 829 HB2 ALA 101 HB2 ALA 101 75.707 -2.616 -5.399 830 HB3 ALA 101 HB3 ALA 101 76.416 -4.086 -4.730 831 H THR 102 H THR 102 75.159 -2.411 -1.346 832 HA THR 102 HA THR 102 76.154 -4.912 -0.199 833 HB THR 102 HB THR 102 76.652 -3.438 1.782 834 HG1 THR 102 HG1 THR 102 75.250 -1.704 0.155 835 HG21 THR 102 HG21 THR 102 77.740 -2.975 -0.974 836 HG22 THR 102 HG22 THR 102 78.521 -3.704 0.429 837 HG23 THR 102 HG23 THR 102 78.306 -1.955 0.349 838 H ASN 103 H ASN 103 73.233 -3.638 -0.733 839 HA ASN 103 HA ASN 103 72.071 -4.443 1.859 840 HB2 ASN 103 HB2 ASN 103 71.154 -2.656 -0.379 841 HB3 ASN 103 HB1 ASN 103 69.999 -3.326 0.766 842 HD21 ASN 103 HD21 ASN 103 73.284 -2.556 1.780 843 HD22 ASN 103 HD22 ASN 103 72.862 -1.223 2.740 844 H GLU 104 H GLU 104 72.346 -5.260 -1.482 845 HA GLU 104 HA GLU 104 70.784 -7.696 -1.033 846 HB2 GLU 104 HB2 GLU 104 69.605 -7.327 -3.246 847 HB3 GLU 104 HB3 GLU 104 69.070 -6.287 -1.926 848 HG2 GLU 104 HG2 GLU 104 70.218 -4.411 -2.773 849 HG3 GLU 104 HG3 GLU 104 71.250 -5.396 -3.809 850 HHA HEC 201 HA HEC 105 89.155 -3.528 3.499 851 HHB HEC 201 HB HEC 105 85.490 0.014 -0.251 852 HHC HEC 201 HC HEC 105 88.869 -1.840 -5.271 853 HHD HEC 201 HD HEC 105 92.093 -5.854 -1.596 854 HMA1 HEC 201 HMA1 HEC 105 85.279 0.746 1.832 855 HMA2 HEC 201 HMA2 HEC 105 85.477 0.204 3.494 856 HMA3 HEC 201 HMA3 HEC 105 84.386 -0.658 2.414 857 HAA1 HEC 201 HAA1 HEC 105 86.836 -0.887 4.741 858 HAA2 HEC 201 HAA2 HEC 105 88.167 -2.021 4.732 859 HBA1 HEC 201 HBA1 HEC 105 86.703 -3.897 4.688 860 HBA2 HEC 201 HBA2 HEC 105 85.310 -2.889 4.308 861 HMB1 HEC 201 HMB1 HEC 105 84.094 0.044 -2.737 862 HMB2 HEC 201 HMB2 HEC 105 84.896 1.214 -3.777 863 HMB3 HEC 201 HMB3 HEC 105 84.997 1.381 -2.028 864 HAB HEC 201 HAB HEC 105 87.395 -0.645 -5.977 865 HBB1 HEC 201 HBB1 HEC 105 88.017 1.568 -5.821 866 HBB2 HEC 201 HBB2 HEC 105 86.337 1.782 -6.310 867 HBB3 HEC 201 HBB3 HEC 105 86.789 1.942 -4.614 868 HMC1 HEC 201 HMC1 HEC 105 91.275 -4.424 -6.561 869 HMC2 HEC 201 HMC2 HEC 105 91.405 -2.686 -6.304 870 HMC3 HEC 201 HMC3 HEC 105 89.828 -3.421 -6.579 871 HAC HEC 201 HAC HEC 105 92.594 -6.283 -3.506 872 HBC1 HEC 201 HBC1 HEC 105 93.753 -5.770 -5.898 873 HBC2 HEC 201 HBC2 HEC 105 94.315 -5.052 -4.390 874 HBC3 HEC 201 HBC3 HEC 105 93.253 -4.138 -5.459 875 HMD1 HEC 201 HMD1 HEC 105 92.117 -7.546 0.628 876 HMD2 HEC 201 HMD2 HEC 105 92.938 -6.761 1.975 877 HMD3 HEC 201 HMD3 HEC 105 93.343 -6.318 0.319 878 HAD1 HEC 201 HAD1 HEC 105 91.304 -6.521 3.563 879 HAD2 HEC 201 HAD2 HEC 105 90.231 -5.250 4.102 880 HBD1 HEC 201 HBD1 HEC 105 92.823 -4.145 3.398 881 HBD2 HEC 201 HBD2 HEC 105 93.001 -5.448 4.566 882 H1 HOH 301 H2 HOH 200 82.372 3.554 -1.424 883 H2 HOH 301 H1 HOH 200 83.828 3.186 -1.253 884 H1 HOH 302 H2 HOH 201 85.453 5.791 5.808 885 H2 HOH 302 H1 HOH 201 86.710 6.612 5.625 886 H1 HOH 303 H2 HOH 202 83.839 -4.726 4.513 887 H2 HOH 303 H1 HOH 202 83.967 -6.233 4.529 888 H1 HOH 304 H2 HOH 203 83.697 -10.317 -0.563 889 H2 HOH 304 H1 HOH 203 84.305 -9.088 0.053 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 75.177 9.312 -5.514 2 H2 GLY 1 H2 GLY 1 76.262 9.453 -6.813 3 H3 GLY 1 H3 GLY 1 75.084 8.228 -6.816 4 HA2 GLY 1 HA2 GLY 1 73.565 10.432 -6.548 5 HA3 GLY 1 HA3 GLY 1 74.871 10.998 -7.588 6 H ASP 2 H ASP 2 75.129 7.997 -8.368 7 HA ASP 2 HA ASP 2 72.733 7.599 -9.983 8 HB2 ASP 2 HB2 ASP 2 75.441 7.995 -11.271 9 HB3 ASP 2 HB1 ASP 2 73.956 7.530 -12.098 10 H VAL 3 H VAL 3 72.544 5.688 -8.775 11 HA VAL 3 HA VAL 3 74.428 3.754 -8.265 12 HB VAL 3 HB VAL 3 72.165 3.569 -7.415 13 HG11 VAL 3 HG11 VAL 3 70.358 2.808 -9.056 14 HG12 VAL 3 HG12 VAL 3 71.449 3.316 -10.344 15 HG13 VAL 3 HG13 VAL 3 70.851 4.497 -9.178 16 HG21 VAL 3 HG21 VAL 3 71.804 1.216 -7.770 17 HG22 VAL 3 HG22 VAL 3 73.544 1.485 -7.841 18 HG23 VAL 3 HG23 VAL 3 72.626 1.266 -9.330 19 H GLU 4 H GLU 4 73.195 4.761 -11.309 20 HA GLU 4 HA GLU 4 73.705 2.350 -12.769 21 HB2 GLU 4 HB2 GLU 4 73.538 5.201 -13.774 22 HB3 GLU 4 HB3 GLU 4 73.424 3.742 -14.758 23 HG2 GLU 4 HG2 GLU 4 71.422 3.050 -13.451 24 HG3 GLU 4 HG3 GLU 4 71.513 4.564 -12.552 25 H LYS 5 H LYS 5 75.428 5.482 -12.722 26 HA LYS 5 HA LYS 5 77.725 4.401 -14.053 27 HB2 LYS 5 HB2 LYS 5 77.161 7.000 -12.624 28 HB3 LYS 5 HB3 LYS 5 78.766 6.618 -13.249 29 HG2 LYS 5 HG2 LYS 5 77.953 6.447 -15.494 30 HG3 LYS 5 HG3 LYS 5 76.272 6.475 -14.959 31 HD2 LYS 5 HD2 LYS 5 78.016 8.797 -14.218 32 HD3 LYS 5 HD3 LYS 5 77.466 8.678 -15.888 33 HE2 LYS 5 HE2 LYS 5 75.174 8.737 -15.249 34 HE3 LYS 5 HE3 LYS 5 75.560 8.433 -13.557 35 HZ1 LYS 5 HZ1 LYS 5 75.869 10.585 -13.202 36 HZ2 LYS 5 HZ2 LYS 5 75.229 10.881 -14.747 37 HZ3 LYS 5 HZ3 LYS 5 76.909 10.738 -14.533 38 H GLY 6 H GLY 6 76.603 4.454 -10.823 39 HA2 GLY 6 HA2 GLY 6 79.129 4.279 -9.493 40 HA3 GLY 6 HA3 GLY 6 77.564 3.818 -8.817 41 H LYS 7 H LYS 7 76.859 2.022 -10.922 42 HA LYS 7 HA LYS 7 78.108 -0.363 -9.976 43 HB2 LYS 7 HB2 LYS 7 75.742 -0.198 -10.817 44 HB3 LYS 7 HB3 LYS 7 76.393 -0.021 -12.445 45 HG2 LYS 7 HG2 LYS 7 77.694 -2.204 -11.956 46 HG3 LYS 7 HG3 LYS 7 76.588 -2.403 -10.600 47 HD2 LYS 7 HD2 LYS 7 75.417 -3.535 -12.254 48 HD3 LYS 7 HD3 LYS 7 74.745 -1.916 -12.447 49 HE2 LYS 7 HE2 LYS 7 76.715 -1.564 -14.130 50 HE3 LYS 7 HE3 LYS 7 76.791 -3.325 -14.149 51 HZ1 LYS 7 HZ1 LYS 7 74.789 -3.498 -15.162 52 HZ2 LYS 7 HZ2 LYS 7 75.229 -1.973 -15.766 53 HZ3 LYS 7 HZ3 LYS 7 74.163 -2.092 -14.448 54 H LYS 8 H LYS 8 78.311 1.543 -12.972 55 HA LYS 8 HA LYS 8 79.999 -0.168 -14.418 56 HB2 LYS 8 HB2 LYS 8 78.865 1.729 -15.448 57 HB3 LYS 8 HB3 LYS 8 79.815 2.850 -14.475 58 HG2 LYS 8 HG2 LYS 8 81.430 0.897 -16.000 59 HG3 LYS 8 HG3 LYS 8 80.509 2.012 -17.004 60 HD2 LYS 8 HD2 LYS 8 82.106 3.062 -14.675 61 HD3 LYS 8 HD3 LYS 8 82.904 2.709 -16.207 62 HE2 LYS 8 HE2 LYS 8 81.294 4.186 -17.376 63 HE3 LYS 8 HE3 LYS 8 80.539 4.570 -15.829 64 HZ1 LYS 8 HZ1 LYS 8 82.973 5.168 -15.181 65 HZ2 LYS 8 HZ2 LYS 8 82.014 6.281 -16.036 66 HZ3 LYS 8 HZ3 LYS 8 83.175 5.348 -16.856 67 H ILE 9 H ILE 9 80.842 2.590 -12.324 68 HA ILE 9 HA ILE 9 83.643 2.304 -12.596 69 HB ILE 9 HB ILE 9 82.031 3.530 -10.346 70 HG12 ILE 9 HG12 ILE 9 83.396 4.896 -12.678 71 HG13 ILE 9 HG13 ILE 9 81.699 4.418 -12.721 72 HG21 ILE 9 HG21 ILE 9 84.313 3.097 -9.629 73 HG22 ILE 9 HG22 ILE 9 84.151 4.821 -9.969 74 HG23 ILE 9 HG23 ILE 9 84.948 3.765 -11.133 75 HD11 ILE 9 HD11 ILE 9 82.018 6.790 -11.998 76 HD12 ILE 9 HD12 ILE 9 82.920 6.208 -10.600 77 HD13 ILE 9 HD13 ILE 9 81.213 5.805 -10.777 78 H PHE 10 H PHE 10 81.283 0.680 -10.627 79 HA PHE 10 HA PHE 10 83.153 -0.315 -8.682 80 HB2 PHE 10 HB2 PHE 10 81.015 -0.239 -7.807 81 HB3 PHE 10 HB1 PHE 10 80.267 -0.766 -9.313 82 HD1 PHE 10 HD1 PHE 10 80.246 -3.140 -9.952 83 HD2 PHE 10 HD2 PHE 10 81.934 -1.842 -6.225 84 HE1 PHE 10 HE1 PHE 10 80.241 -5.480 -9.140 85 HE2 PHE 10 HE2 PHE 10 81.930 -4.186 -5.409 86 HZ PHE 10 HZ PHE 10 81.084 -6.005 -6.870 87 H VAL 11 H VAL 11 81.392 -1.867 -11.386 88 HA VAL 11 HA VAL 11 82.448 -4.418 -11.126 89 HB VAL 11 HB VAL 11 82.004 -4.681 -13.560 90 HG11 VAL 11 HG11 VAL 11 79.793 -3.120 -12.226 91 HG12 VAL 11 HG12 VAL 11 80.233 -4.746 -11.709 92 HG13 VAL 11 HG13 VAL 11 79.646 -4.469 -13.349 93 HG21 VAL 11 HG21 VAL 11 81.233 -1.758 -13.406 94 HG22 VAL 11 HG22 VAL 11 81.152 -2.795 -14.827 95 HG23 VAL 11 HG23 VAL 11 82.717 -2.340 -14.156 96 H GLN 12 H GLN 12 83.887 -1.543 -12.473 97 HA GLN 12 HA GLN 12 86.166 -3.099 -13.476 98 HB2 GLN 12 HB2 GLN 12 86.921 -0.951 -14.447 99 HB3 GLN 12 HB1 GLN 12 85.312 -1.427 -14.982 100 HG2 GLN 12 HG2 GLN 12 84.624 0.048 -12.819 101 HG3 GLN 12 HG1 GLN 12 86.138 0.843 -13.238 102 HE21 GLN 12 HE21 GLN 12 83.608 -0.606 -15.354 103 HE22 GLN 12 HE22 GLN 12 83.346 0.815 -16.239 104 H LYS 13 H LYS 13 85.356 -1.082 -10.750 105 HA LYS 13 HA LYS 13 88.214 -0.747 -10.115 106 HB2 LYS 13 HB2 LYS 13 85.731 0.562 -9.026 107 HB3 LYS 13 HB3 LYS 13 87.305 0.737 -8.262 108 HG2 LYS 13 HG2 LYS 13 87.127 1.227 -11.209 109 HG3 LYS 13 HG3 LYS 13 86.487 2.457 -10.125 110 HD2 LYS 13 HD2 LYS 13 89.274 1.291 -9.889 111 HD3 LYS 13 HD3 LYS 13 88.906 2.795 -10.730 112 HE2 LYS 13 HE2 LYS 13 87.638 3.038 -8.227 113 HE3 LYS 13 HE3 LYS 13 89.214 2.330 -7.879 114 HZ1 LYS 13 HZ1 LYS 13 90.012 4.146 -9.545 115 HZ2 LYS 13 HZ2 LYS 13 89.721 4.540 -7.918 116 HZ3 LYS 13 HZ3 LYS 13 88.565 4.914 -9.105 117 H CYS 14 H CYS 14 85.317 -1.438 -8.120 118 HA CYS 14 HA CYS 14 87.011 -2.769 -6.183 119 HB2 CYS 14 HB2 CYS 14 84.048 -2.697 -5.920 120 HB3 CYS 14 HB1 CYS 14 85.290 -2.496 -4.686 121 H ALA 15 H ALA 15 84.504 -3.846 -8.460 122 HA ALA 15 HA ALA 15 83.956 -6.342 -7.447 123 HB1 ALA 15 HB1 ALA 15 84.289 -5.397 -10.279 124 HB2 ALA 15 HB2 ALA 15 82.803 -5.770 -9.404 125 HB3 ALA 15 HB3 ALA 15 83.870 -7.072 -9.925 126 H GLN 16 H GLN 16 86.938 -5.224 -8.848 127 HA GLN 16 HA GLN 16 88.201 -7.542 -9.625 128 HB2 GLN 16 HB2 GLN 16 89.257 -5.081 -8.252 129 HB3 GLN 16 HB1 GLN 16 90.323 -6.389 -8.758 130 HG2 GLN 16 HG2 GLN 16 89.572 -6.167 -11.064 131 HG3 GLN 16 HG1 GLN 16 88.393 -4.944 -10.593 132 HE21 GLN 16 HE21 GLN 16 91.945 -5.553 -10.528 133 HE22 GLN 16 HE22 GLN 16 92.372 -3.918 -10.694 134 H CYS 17 H CYS 17 88.595 -6.133 -6.341 135 HA CYS 17 HA CYS 17 88.972 -8.900 -5.341 136 HB2 CYS 17 HB2 CYS 17 90.144 -6.702 -3.751 137 HB3 CYS 17 HB1 CYS 17 90.810 -8.279 -4.161 138 H HIS 18 H HSD 18 86.384 -7.953 -5.414 139 HA HIS 18 HA HSD 18 85.770 -7.902 -2.566 140 HB2 HIS 18 HB2 HSD 18 85.166 -5.595 -4.392 141 HB3 HIS 18 HB1 HSD 18 84.079 -5.969 -3.059 142 HD1 HIS 18 HD1 HSD 18 85.017 -5.703 -0.632 143 HD2 HIS 18 HD2 HSD 18 87.683 -4.559 -3.621 144 HE1 HIS 18 HE1 HSD 18 86.866 -4.405 0.517 145 H THR 19 H THR 19 83.174 -7.590 -2.467 146 HA THR 19 HA THR 19 81.932 -9.218 -4.577 147 HB THR 19 HB THR 19 81.266 -9.866 -1.738 148 HG1 THR 19 HG1 THR 19 83.112 -11.533 -2.368 149 HG21 THR 19 HG21 THR 19 81.736 -11.763 -4.017 150 HG22 THR 19 HG22 THR 19 80.254 -10.810 -3.953 151 HG23 THR 19 HG23 THR 19 80.641 -11.927 -2.643 152 H VAL 20 H VAL 20 81.564 -7.186 -1.724 153 HA VAL 20 HA VAL 20 79.817 -5.911 -0.948 154 HB VAL 20 HB VAL 20 79.064 -4.247 -2.528 155 HG11 VAL 20 HG11 VAL 20 81.230 -3.447 -3.299 156 HG12 VAL 20 HG12 VAL 20 81.915 -5.065 -3.163 157 HG13 VAL 20 HG13 VAL 20 81.426 -4.189 -1.715 158 HG21 VAL 20 HG21 VAL 20 80.368 -5.872 -4.716 159 HG22 VAL 20 HG22 VAL 20 79.347 -4.447 -4.884 160 HG23 VAL 20 HG23 VAL 20 78.643 -5.977 -4.373 161 H GLU 21 H GLU 21 79.031 -8.654 -1.571 162 HA GLU 21 HA GLU 21 76.162 -8.138 -2.070 163 HB2 GLU 21 HB2 GLU 21 75.927 -10.023 -3.437 164 HB3 GLU 21 HB3 GLU 21 77.452 -9.328 -3.981 165 HG2 GLU 21 HG2 GLU 21 78.595 -10.890 -2.312 166 HG3 GLU 21 HG3 GLU 21 77.038 -11.707 -2.168 167 H LYS 22 H LYS 22 75.009 -8.598 -0.343 168 HA LYS 22 HA LYS 22 75.910 -9.673 2.024 169 HB2 LYS 22 HB2 LYS 22 73.652 -8.515 1.427 170 HB3 LYS 22 HB3 LYS 22 73.081 -10.157 1.130 171 HG2 LYS 22 HG2 LYS 22 72.573 -9.973 3.383 172 HG3 LYS 22 HG3 LYS 22 74.213 -10.611 3.501 173 HD2 LYS 22 HD2 LYS 22 75.020 -8.198 3.579 174 HD3 LYS 22 HD3 LYS 22 73.330 -7.727 3.767 175 HE2 LYS 22 HE2 LYS 22 74.763 -9.682 5.588 176 HE3 LYS 22 HE3 LYS 22 74.540 -7.970 5.951 177 HZ1 LYS 22 HZ1 LYS 22 72.674 -8.740 6.917 178 HZ2 LYS 22 HZ2 LYS 22 72.605 -10.139 5.956 179 HZ3 LYS 22 HZ3 LYS 22 72.055 -8.654 5.340 180 H GLY 23 H GLY 23 75.804 -11.686 3.024 181 HA2 GLY 23 HA2 GLY 23 76.171 -13.959 3.105 182 HA3 GLY 23 HA3 GLY 23 74.711 -14.044 2.129 183 H GLY 24 H GLY 24 77.638 -12.469 1.004 184 HA2 GLY 24 HA2 GLY 24 77.754 -14.304 -1.258 185 HA3 GLY 24 HA3 GLY 24 78.694 -12.829 -1.054 186 H LYS 25 H LYS 25 80.719 -13.596 -1.391 187 HA LYS 25 HA LYS 25 81.870 -15.241 0.721 188 HB2 LYS 25 HB2 LYS 25 83.042 -16.629 -1.144 189 HB3 LYS 25 HB3 LYS 25 81.392 -17.050 -0.684 190 HG2 LYS 25 HG2 LYS 25 80.503 -15.773 -2.572 191 HG3 LYS 25 HG3 LYS 25 82.130 -15.252 -3.011 192 HD2 LYS 25 HD2 LYS 25 82.788 -17.453 -3.623 193 HD3 LYS 25 HD3 LYS 25 81.387 -18.175 -2.830 194 HE2 LYS 25 HE2 LYS 25 79.902 -17.051 -4.471 195 HE3 LYS 25 HE3 LYS 25 81.324 -16.395 -5.285 196 HZ1 LYS 25 HZ1 LYS 25 81.306 -19.266 -4.822 197 HZ2 LYS 25 HZ2 LYS 25 81.857 -18.382 -6.164 198 HZ3 LYS 25 HZ3 LYS 25 80.197 -18.690 -5.970 199 H HIS 26 H HIS 26 83.325 -13.764 1.370 200 HA HIS 26 HA HIS 26 84.594 -11.825 -0.165 201 HB2 HIS 26 HB2 HIS 26 86.395 -11.989 1.691 202 HB3 HIS 26 HB1 HIS 26 84.753 -11.550 2.160 203 HD1 HIS 26 HD1 HIS 26 83.261 -13.509 3.189 204 HD2 HIS 26 HD2 HIS 26 87.313 -14.400 2.779 205 HE1 HIS 26 HE1 HIS 26 83.690 -15.563 4.607 206 HE2 HIS 26 HE2 HIS 26 86.156 -16.121 4.366 207 H LYS 27 H LYS 27 86.266 -11.794 -1.531 208 HA LYS 27 HA LYS 27 88.106 -14.087 -1.649 209 HB2 LYS 27 HB2 LYS 27 87.936 -13.899 -4.206 210 HB3 LYS 27 HB3 LYS 27 86.602 -14.696 -3.370 211 HG2 LYS 27 HG2 LYS 27 85.274 -12.658 -3.446 212 HG3 LYS 27 HG3 LYS 27 86.622 -11.767 -4.152 213 HD2 LYS 27 HD2 LYS 27 85.067 -12.403 -5.923 214 HD3 LYS 27 HD3 LYS 27 86.568 -13.308 -6.113 215 HE2 LYS 27 HE2 LYS 27 85.610 -15.311 -5.380 216 HE3 LYS 27 HE3 LYS 27 84.316 -14.490 -4.508 217 HZ1 LYS 27 HZ1 LYS 27 83.095 -14.220 -6.378 218 HZ2 LYS 27 HZ2 LYS 27 83.938 -15.617 -6.850 219 HZ3 LYS 27 HZ3 LYS 27 84.446 -14.091 -7.395 220 H THR 28 H THR 28 90.171 -13.453 -1.858 221 HA THR 28 HA THR 28 91.967 -12.007 -1.901 222 HB THR 28 HB THR 28 90.619 -10.634 -4.216 223 HG1 THR 28 HG1 THR 28 91.417 -13.298 -3.957 224 HG21 THR 28 HG21 THR 28 92.836 -10.406 -5.036 225 HG22 THR 28 HG22 THR 28 93.453 -11.640 -3.938 226 HG23 THR 28 HG23 THR 28 92.960 -10.068 -3.310 227 H GLY 29 H GLY 29 89.558 -11.233 -0.368 228 HA2 GLY 29 HA2 GLY 29 90.268 -8.926 0.828 229 HA3 GLY 29 HA3 GLY 29 89.372 -8.346 -0.573 230 HA PRO 30 HA PRO 30 86.529 -9.877 2.967 231 HB2 PRO 30 HB2 PRO 30 86.012 -7.529 4.271 232 HB3 PRO 30 HB1 PRO 30 87.341 -8.614 4.722 233 HG2 PRO 30 HG2 PRO 30 87.412 -6.108 3.109 234 HG3 PRO 30 HG1 PRO 30 88.541 -6.685 4.347 235 HD2 PRO 30 HD2 PRO 30 89.044 -6.915 1.665 236 HD3 PRO 30 HD1 PRO 30 89.673 -8.062 2.868 237 H ASN 31 H ASN 31 84.245 -8.874 3.446 238 HA ASN 31 HA ASN 31 83.172 -7.913 0.872 239 HB2 ASN 31 HB2 ASN 31 82.336 -10.042 2.157 240 HB3 ASN 31 HB1 ASN 31 81.482 -8.877 3.165 241 HD21 ASN 31 HD21 ASN 31 80.834 -10.857 0.688 242 HD22 ASN 31 HD22 ASN 31 79.741 -9.912 -0.202 243 H LEU 32 H LEU 32 81.293 -6.380 1.061 244 HA LEU 32 HA LEU 32 81.834 -4.386 3.187 245 HB2 LEU 32 HB2 LEU 32 80.600 -3.847 0.483 246 HB3 LEU 32 HB3 LEU 32 81.168 -2.665 1.655 247 HG LEU 32 HG LEU 32 82.840 -4.599 0.031 248 HD11 LEU 32 HD11 LEU 32 81.925 -2.187 -0.713 249 HD12 LEU 32 HD12 LEU 32 83.535 -2.747 -1.160 250 HD13 LEU 32 HD13 LEU 32 83.330 -1.654 0.209 251 HD21 LEU 32 HD21 LEU 32 84.733 -3.261 1.258 252 HD22 LEU 32 HD22 LEU 32 83.976 -4.619 2.083 253 HD23 LEU 32 HD23 LEU 32 83.495 -2.973 2.475 254 H HIS 33 H HIS 33 80.113 -6.521 3.733 255 HA HIS 33 HA HIS 33 77.382 -5.968 3.197 256 HB2 HIS 33 HB2 HIS 33 78.680 -7.504 5.459 257 HB3 HIS 33 HB1 HIS 33 76.949 -7.488 5.130 258 HD1 HIS 33 HD1 HIS 33 78.214 -10.182 4.919 259 HD2 HIS 33 HD2 HIS 33 78.148 -7.548 1.689 260 HE1 HIS 33 HE1 HIS 33 78.502 -11.594 2.838 261 HE2 HIS 33 HE2 HIS 33 78.462 -10.003 0.860 262 H GLY 34 H GLY 34 75.938 -4.634 4.161 263 HA2 GLY 34 HA2 GLY 34 75.339 -2.695 5.320 264 HA3 GLY 34 HA3 GLY 34 75.658 -3.755 6.692 265 H LEU 35 H LEU 35 78.138 -2.782 4.463 266 HA LEU 35 HA LEU 35 80.098 -2.080 6.190 267 HB2 LEU 35 HB2 LEU 35 80.478 -2.163 3.809 268 HB3 LEU 35 HB3 LEU 35 79.393 -0.804 3.542 269 HG LEU 35 HG LEU 35 81.071 0.427 5.207 270 HD11 LEU 35 HD11 LEU 35 82.320 -1.878 5.372 271 HD12 LEU 35 HD12 LEU 35 83.256 -0.390 5.252 272 HD13 LEU 35 HD13 LEU 35 83.015 -1.393 3.828 273 HD21 LEU 35 HD21 LEU 35 82.234 1.310 3.281 274 HD22 LEU 35 HD22 LEU 35 80.574 0.971 2.794 275 HD23 LEU 35 HD23 LEU 35 81.869 -0.136 2.340 276 H PHE 36 H PHE 36 77.851 0.279 4.764 277 HA PHE 36 HA PHE 36 78.683 2.507 6.205 278 HB2 PHE 36 HB2 PHE 36 75.841 1.970 5.322 279 HB3 PHE 36 HB1 PHE 36 76.608 3.540 5.563 280 HD1 PHE 36 HD2 PHE 36 76.699 0.445 3.480 281 HD2 PHE 36 HD1 PHE 36 77.926 4.551 3.843 282 HE1 PHE 36 HE2 PHE 36 77.526 0.409 1.145 283 HE2 PHE 36 HE1 PHE 36 78.740 4.511 1.512 284 HZ PHE 36 HZ PHE 36 78.543 2.443 0.158 285 H GLY 37 H GLY 37 79.063 2.029 8.393 286 HA2 GLY 37 HA2 GLY 37 77.605 2.771 10.387 287 HA3 GLY 37 HA3 GLY 37 76.694 1.319 10.010 288 H ARG 38 H ARG 38 79.267 -0.109 9.284 289 HA ARG 38 HA ARG 38 79.852 -0.987 12.003 290 HB2 ARG 38 HB2 ARG 38 80.307 -2.055 9.261 291 HB3 ARG 38 HB3 ARG 38 81.409 -2.583 10.532 292 HG2 ARG 38 HG2 ARG 38 79.201 -3.036 11.885 293 HG3 ARG 38 HG3 ARG 38 78.438 -3.012 10.297 294 HD2 ARG 38 HD2 ARG 38 80.723 -4.620 9.969 295 HD3 ARG 38 HD3 ARG 38 80.057 -5.095 11.524 296 HE ARG 38 HE ARG 38 78.008 -5.694 10.414 297 HH11 ARG 38 HH21 ARG 38 80.596 -4.743 8.291 298 HH12 ARG 38 HH22 ARG 38 79.909 -5.512 6.902 299 HH21 ARG 38 HH11 ARG 38 77.121 -6.689 8.589 300 HH22 ARG 38 HH12 ARG 38 77.947 -6.606 7.068 301 H LYS 39 H LYS 39 81.820 -0.947 13.017 302 HA LYS 39 HA LYS 39 83.549 1.232 12.475 303 HB2 LYS 39 HB2 LYS 39 83.532 -1.057 14.393 304 HB3 LYS 39 HB3 LYS 39 85.026 -0.146 14.192 305 HG2 LYS 39 HG2 LYS 39 82.549 1.475 14.525 306 HG3 LYS 39 HG3 LYS 39 83.081 0.574 15.943 307 HD2 LYS 39 HD2 LYS 39 85.308 1.591 15.797 308 HD3 LYS 39 HD3 LYS 39 84.839 2.449 14.330 309 HE2 LYS 39 HE2 LYS 39 82.972 2.891 16.557 310 HE3 LYS 39 HE3 LYS 39 84.609 3.453 16.899 311 HZ1 LYS 39 HZ1 LYS 39 84.420 5.097 15.433 312 HZ2 LYS 39 HZ2 LYS 39 82.748 4.796 15.459 313 HZ3 LYS 39 HZ3 LYS 39 83.720 4.104 14.250 314 H THR 40 H THR 40 85.959 0.987 12.253 315 HA THR 40 HA THR 40 86.599 -0.305 9.836 316 HB THR 40 HB THR 40 89.019 0.193 10.652 317 HG1 THR 40 HG1 THR 40 87.623 1.850 12.442 318 HG21 THR 40 HG21 THR 40 87.782 1.569 9.027 319 HG22 THR 40 HG22 THR 40 88.711 2.580 10.133 320 HG23 THR 40 HG23 THR 40 86.970 2.405 10.351 321 H GLY 41 H GLY 41 87.865 -2.087 9.358 322 HA2 GLY 41 HA2 GLY 41 88.459 -4.290 9.577 323 HA3 GLY 41 HA3 GLY 41 89.271 -3.746 11.041 324 H GLN 42 H GLN 42 85.838 -4.136 10.128 325 HA GLN 42 HA GLN 42 85.487 -5.742 12.598 326 HB2 GLN 42 HB2 GLN 42 84.362 -3.498 12.568 327 HB3 GLN 42 HB1 GLN 42 83.380 -4.071 11.219 328 HG2 GLN 42 HG2 GLN 42 82.324 -5.727 12.537 329 HG3 GLN 42 HG1 GLN 42 83.549 -5.627 13.801 330 HE21 GLN 42 HE21 GLN 42 81.079 -3.530 12.210 331 HE22 GLN 42 HE22 GLN 42 80.683 -2.683 13.627 332 H ALA 43 H ALA 43 85.114 -5.706 9.162 333 HA ALA 43 HA ALA 43 83.021 -7.565 8.882 334 HB1 ALA 43 HB1 ALA 43 83.461 -7.417 6.665 335 HB2 ALA 43 HB2 ALA 43 85.178 -7.751 6.878 336 HB3 ALA 43 HB3 ALA 43 84.555 -6.123 7.148 337 HA PRO 44 HA PRO 44 85.343 -11.090 10.449 338 HB2 PRO 44 HB2 PRO 44 83.309 -12.878 10.491 339 HB3 PRO 44 HB1 PRO 44 83.428 -11.560 11.674 340 HG2 PRO 44 HG2 PRO 44 81.728 -11.762 9.233 341 HG3 PRO 44 HG1 PRO 44 81.329 -11.120 10.836 342 HD2 PRO 44 HD2 PRO 44 82.002 -9.540 8.672 343 HD3 PRO 44 HD1 PRO 44 82.210 -9.044 10.367 344 H GLY 45 H GLY 45 86.742 -12.030 9.051 345 HA2 GLY 45 HA2 GLY 45 86.332 -14.186 7.486 346 HA3 GLY 45 HA3 GLY 45 85.905 -12.868 6.400 347 H PHE 46 H PHE 46 87.594 -11.058 6.319 348 HA PHE 46 HA PHE 46 90.153 -12.284 5.703 349 HB2 PHE 46 HB2 PHE 46 88.958 -10.521 4.284 350 HB3 PHE 46 HB1 PHE 46 89.467 -9.353 5.503 351 HD1 PHE 46 HD2 PHE 46 90.601 -11.673 2.874 352 HD2 PHE 46 HD1 PHE 46 91.819 -8.783 5.810 353 HE1 PHE 46 HE2 PHE 46 92.850 -11.564 1.834 354 HE2 PHE 46 HE1 PHE 46 94.068 -8.674 4.769 355 HZ PHE 46 HZ PHE 46 94.583 -10.065 2.781 356 H THR 47 H THR 47 92.176 -11.528 6.505 357 HA THR 47 HA THR 47 92.106 -10.898 9.335 358 HB THR 47 HB THR 47 94.534 -11.190 7.561 359 HG1 THR 47 HG1 THR 47 92.682 -13.007 8.392 360 HG21 THR 47 HG21 THR 47 95.650 -11.758 9.643 361 HG22 THR 47 HG22 THR 47 94.123 -11.687 10.521 362 HG23 THR 47 HG23 THR 47 94.822 -10.214 9.848 363 H TYR 48 H TYR 48 91.274 -8.779 9.327 364 HA TYR 48 HA TYR 48 92.215 -6.621 7.825 365 HB2 TYR 48 HB2 TYR 48 90.828 -6.895 10.462 366 HB3 TYR 48 HB3 TYR 48 91.436 -5.313 9.989 367 HD1 TYR 48 HD2 TYR 48 90.955 -4.735 7.402 368 HD2 TYR 48 HD1 TYR 48 88.631 -7.383 9.854 369 HE1 TYR 48 HE2 TYR 48 89.005 -4.390 5.920 370 HE2 TYR 48 HE1 TYR 48 86.676 -7.026 8.376 371 HH TYR 48 HH TYR 48 86.283 -4.609 6.394 372 H THR 49 H THR 49 93.654 -4.934 8.296 373 HA THR 49 HA THR 49 96.052 -5.791 9.684 374 HB THR 49 HB THR 49 97.032 -3.739 8.816 375 HG1 THR 49 HG1 THR 49 95.812 -2.101 8.389 376 HG21 THR 49 HG21 THR 49 96.430 -4.068 6.358 377 HG22 THR 49 HG22 THR 49 95.252 -5.260 6.902 378 HG23 THR 49 HG23 THR 49 96.968 -5.511 7.215 379 H ASP 50 H ASP 50 97.032 -4.673 11.427 380 HA ASP 50 HA ASP 50 95.500 -4.087 13.614 381 HB2 ASP 50 HB2 ASP 50 98.084 -2.647 13.012 382 HB3 ASP 50 HB1 ASP 50 97.424 -3.064 14.593 383 H ALA 51 H ALA 51 96.394 -1.901 11.003 384 HA ALA 51 HA ALA 51 95.571 0.514 12.199 385 HB1 ALA 51 HB1 ALA 51 95.423 1.368 9.889 386 HB2 ALA 51 HB2 ALA 51 95.567 -0.281 9.278 387 HB3 ALA 51 HB3 ALA 51 96.910 0.456 10.152 388 H ASN 52 H ASN 52 93.792 -1.862 10.247 389 HA ASN 52 HA ASN 52 91.329 -0.346 10.381 390 HB2 ASN 52 HB2 ASN 52 92.144 -3.015 9.272 391 HB3 ASN 52 HB1 ASN 52 90.436 -2.643 9.477 392 HD21 ASN 52 HD21 ASN 52 90.351 -2.729 7.040 393 HD22 ASN 52 HD22 ASN 52 90.821 -1.352 6.163 394 H LYS 53 H LYS 53 92.924 -2.786 12.234 395 HA LYS 53 HA LYS 53 90.534 -3.560 13.698 396 HB2 LYS 53 HB2 LYS 53 91.845 -5.426 13.684 397 HB3 LYS 53 HB3 LYS 53 93.323 -4.504 13.449 398 HG2 LYS 53 HG2 LYS 53 93.373 -3.913 15.825 399 HG3 LYS 53 HG3 LYS 53 91.839 -4.747 16.082 400 HD2 LYS 53 HD2 LYS 53 93.019 -6.833 15.137 401 HD3 LYS 53 HD3 LYS 53 94.521 -5.939 15.375 402 HE2 LYS 53 HE2 LYS 53 92.618 -7.026 17.409 403 HE3 LYS 53 HE3 LYS 53 94.380 -6.987 17.431 404 HZ1 LYS 53 HZ1 LYS 53 94.040 -4.452 17.576 405 HZ2 LYS 53 HZ2 LYS 53 93.816 -5.392 18.974 406 HZ3 LYS 53 HZ3 LYS 53 92.471 -4.843 18.091 407 H ASN 54 H ASN 54 92.696 -1.035 13.700 408 HA ASN 54 HA ASN 54 93.044 -0.581 16.492 409 HB2 ASN 54 HB2 ASN 54 94.078 1.377 15.861 410 HB3 ASN 54 HB1 ASN 54 94.240 0.455 14.374 411 HD21 ASN 54 HD21 ASN 54 91.504 0.722 13.457 412 HD22 ASN 54 HD22 ASN 54 91.249 2.353 13.065 413 H LYS 55 H LYS 55 90.439 -0.165 14.325 414 HA LYS 55 HA LYS 55 88.331 0.761 14.540 415 HB2 LYS 55 HB2 LYS 55 89.089 -0.033 17.318 416 HB3 LYS 55 HB3 LYS 55 87.670 0.991 17.124 417 HG2 LYS 55 HG2 LYS 55 86.797 -1.197 17.016 418 HG3 LYS 55 HG3 LYS 55 86.919 -0.715 15.329 419 HD2 LYS 55 HD2 LYS 55 87.864 -2.878 15.365 420 HD3 LYS 55 HD3 LYS 55 89.259 -1.804 15.381 421 HE2 LYS 55 HE2 LYS 55 89.681 -2.186 17.670 422 HE3 LYS 55 HE3 LYS 55 88.050 -2.782 17.966 423 HZ1 LYS 55 HZ1 LYS 55 88.509 -4.778 16.868 424 HZ2 LYS 55 HZ2 LYS 55 89.880 -4.494 17.831 425 HZ3 LYS 55 HZ3 LYS 55 89.930 -4.179 16.162 426 H GLY 56 H GLY 56 89.729 2.713 13.753 427 HA2 GLY 56 HA2 GLY 56 89.870 4.857 15.748 428 HA3 GLY 56 HA3 GLY 56 90.531 4.909 14.117 429 H ILE 57 H ILE 57 88.056 3.951 12.865 430 HA ILE 57 HA ILE 57 86.101 6.043 13.491 431 HB ILE 57 HB ILE 57 86.046 6.912 11.226 432 HG12 ILE 57 HG12 ILE 57 88.225 6.108 9.843 433 HG13 ILE 57 HG13 ILE 57 87.924 4.631 10.756 434 HG21 ILE 57 HG21 ILE 57 88.924 6.849 12.163 435 HG22 ILE 57 HG22 ILE 57 87.675 7.832 12.925 436 HG23 ILE 57 HG23 ILE 57 88.125 8.125 11.246 437 HD11 ILE 57 HD11 ILE 57 85.689 6.011 9.264 438 HD12 ILE 57 HD12 ILE 57 85.785 4.332 9.791 439 HD13 ILE 57 HD13 ILE 57 86.772 4.889 8.447 440 H THR 58 H THR 58 84.296 5.852 11.644 441 HA THR 58 HA THR 58 83.721 2.970 11.300 442 HB THR 58 HB THR 58 81.862 5.197 12.143 443 HG1 THR 58 HG1 THR 58 81.641 3.922 13.945 444 HG21 THR 58 HG21 THR 58 80.149 3.293 12.137 445 HG22 THR 58 HG22 THR 58 81.290 2.417 11.121 446 HG23 THR 58 HG23 THR 58 80.605 3.941 10.561 447 H TRP 59 H TRP 59 82.862 2.318 9.386 448 HA TRP 59 HA TRP 59 83.252 3.942 7.097 449 HB2 TRP 59 HB2 TRP 59 81.441 1.535 7.162 450 HB3 TRP 59 HB1 TRP 59 82.455 2.120 5.841 451 HD1 TRP 59 HD1 TRP 59 85.180 2.481 7.285 452 HE1 TRP 59 HE1 TRP 59 86.502 0.432 8.128 453 HE3 TRP 59 HE3 TRP 59 81.417 -0.950 7.603 454 HZ2 TRP 59 HZ2 TRP 59 86.015 -2.288 8.869 455 HZ3 TRP 59 HZ3 TRP 59 81.877 -3.261 8.370 456 HH2 TRP 59 HH2 TRP 59 84.171 -3.930 9.005 457 H LYS 60 H LYS 60 81.874 5.148 5.905 458 HA LYS 60 HA LYS 60 79.014 5.126 6.375 459 HB2 LYS 60 HB2 LYS 60 80.719 7.519 7.113 460 HB3 LYS 60 HB3 LYS 60 78.972 7.592 6.888 461 HG2 LYS 60 HG2 LYS 60 78.820 5.698 8.609 462 HG3 LYS 60 HG3 LYS 60 80.510 6.038 8.975 463 HD2 LYS 60 HD2 LYS 60 78.406 8.209 9.000 464 HD3 LYS 60 HD3 LYS 60 78.757 7.232 10.424 465 HE2 LYS 60 HE2 LYS 60 81.190 7.887 10.155 466 HE3 LYS 60 HE3 LYS 60 80.669 9.035 8.922 467 HZ1 LYS 60 HZ1 LYS 60 79.685 8.971 11.724 468 HZ2 LYS 60 HZ2 LYS 60 79.251 10.104 10.535 469 HZ3 LYS 60 HZ3 LYS 60 80.845 10.052 11.123 470 H GLU 61 H GLU 61 78.428 7.584 5.145 471 HA GLU 61 HA GLU 61 78.977 6.899 2.404 472 HB2 GLU 61 HB2 GLU 61 76.817 7.911 3.289 473 HB3 GLU 61 HB3 GLU 61 77.687 9.441 3.400 474 HG2 GLU 61 HG2 GLU 61 78.234 9.310 0.998 475 HG3 GLU 61 HG3 GLU 61 77.368 7.780 0.884 476 H GLU 62 H GLU 62 79.612 9.855 4.323 477 HA GLU 62 HA GLU 62 81.370 10.957 2.366 478 HB2 GLU 62 HB2 GLU 62 81.202 11.653 5.306 479 HB3 GLU 62 HB3 GLU 62 81.840 12.665 4.009 480 HG2 GLU 62 HG2 GLU 62 79.580 12.618 2.932 481 HG3 GLU 62 HG3 GLU 62 78.972 11.745 4.338 482 H THR 63 H THR 63 81.861 9.061 5.307 483 HA THR 63 HA THR 63 84.654 9.333 5.502 484 HB THR 63 HB THR 63 84.593 7.264 6.805 485 HG1 THR 63 HG1 THR 63 82.957 5.908 6.670 486 HG21 THR 63 HG21 THR 63 82.663 7.920 8.354 487 HG22 THR 63 HG22 THR 63 82.329 9.213 7.203 488 HG23 THR 63 HG23 THR 63 83.881 9.153 8.039 489 H LEU 64 H LEU 64 82.612 7.228 3.563 490 HA LEU 64 HA LEU 64 84.703 5.550 2.616 491 HB2 LEU 64 HB2 LEU 64 81.864 5.904 2.107 492 HB3 LEU 64 HB3 LEU 64 82.749 5.622 0.616 493 HG LEU 64 HG LEU 64 83.142 3.880 3.052 494 HD11 LEU 64 HD11 LEU 64 80.911 3.975 1.122 495 HD12 LEU 64 HD12 LEU 64 80.993 3.217 2.709 496 HD13 LEU 64 HD13 LEU 64 81.645 2.383 1.299 497 HD21 LEU 64 HD21 LEU 64 84.871 3.837 1.248 498 HD22 LEU 64 HD22 LEU 64 83.613 3.426 0.084 499 HD23 LEU 64 HD23 LEU 64 84.015 2.302 1.381 500 H MET 65 H MET 65 83.297 8.592 1.495 501 HA MET 65 HA MET 65 84.461 8.731 -1.036 502 HB2 MET 65 HB2 MET 65 83.922 10.982 0.911 503 HB3 MET 65 HB1 MET 65 84.253 11.184 -0.809 504 HG2 MET 65 HG2 MET 65 82.264 9.969 -1.412 505 HG3 MET 65 HG1 MET 65 81.990 9.486 0.260 506 HE1 MET 65 HE1 MET 65 80.472 13.068 -1.878 507 HE2 MET 65 HE2 MET 65 80.492 11.347 -2.256 508 HE3 MET 65 HE3 MET 65 81.981 12.284 -2.362 509 H GLU 66 H GLU 66 85.713 10.139 1.997 510 HA GLU 66 HA GLU 66 88.190 10.970 0.967 511 HB2 GLU 66 HB2 GLU 66 87.596 10.041 3.787 512 HB3 GLU 66 HB3 GLU 66 88.919 11.095 3.283 513 HG2 GLU 66 HG2 GLU 66 87.212 12.726 2.433 514 HG3 GLU 66 HG3 GLU 66 85.955 11.704 3.125 515 H TYR 67 H TYR 67 87.033 7.878 2.086 516 HA TYR 67 HA TYR 67 89.632 6.623 2.188 517 HB2 TYR 67 HB2 TYR 67 87.885 5.758 3.612 518 HB3 TYR 67 HB3 TYR 67 86.815 5.535 2.233 519 HD1 TYR 67 HD1 TYR 67 89.784 4.254 3.993 520 HD2 TYR 67 HD2 TYR 67 87.131 3.700 0.660 521 HE1 TYR 67 HE1 TYR 67 90.688 1.970 3.654 522 HE2 TYR 67 HE2 TYR 67 88.038 1.417 0.318 523 HH TYR 67 HH TYR 67 89.607 -0.047 0.928 524 H LEU 68 H LEU 68 87.153 7.182 -0.169 525 HA LEU 68 HA LEU 68 88.103 5.195 -2.040 526 HB2 LEU 68 HB2 LEU 68 85.952 7.274 -2.005 527 HB3 LEU 68 HB3 LEU 68 86.500 6.680 -3.566 528 HG LEU 68 HG LEU 68 85.553 4.915 -1.290 529 HD11 LEU 68 HD11 LEU 68 84.169 6.052 -3.715 530 HD12 LEU 68 HD12 LEU 68 83.622 6.007 -2.044 531 HD13 LEU 68 HD13 LEU 68 83.635 4.530 -2.998 532 HD21 LEU 68 HD21 LEU 68 86.783 3.436 -2.529 533 HD22 LEU 68 HD22 LEU 68 86.706 4.418 -3.988 534 HD23 LEU 68 HD23 LEU 68 85.332 3.421 -3.524 535 H GLU 69 H GLU 69 88.794 8.502 -1.286 536 HA GLU 69 HA GLU 69 90.135 8.966 -3.853 537 HB2 GLU 69 HB2 GLU 69 90.053 11.202 -3.358 538 HB3 GLU 69 HB3 GLU 69 88.733 10.671 -2.321 539 HG2 GLU 69 HG2 GLU 69 90.517 10.367 -0.492 540 HG3 GLU 69 HG3 GLU 69 91.578 11.309 -1.538 541 H ASN 70 H ASN 70 90.817 7.594 -0.906 542 HA ASN 70 HA ASN 70 93.545 7.171 -1.442 543 HB2 ASN 70 HB2 ASN 70 92.978 9.718 -0.256 544 HB3 ASN 70 HB1 ASN 70 93.824 8.731 0.930 545 HD21 ASN 70 HD21 ASN 70 95.968 7.823 0.259 546 HD22 ASN 70 HD22 ASN 70 96.860 8.609 -0.954 547 HA PRO 71 HA PRO 71 91.188 4.394 1.488 548 HB2 PRO 71 HB2 PRO 71 93.062 2.531 0.086 549 HB3 PRO 71 HB1 PRO 71 91.345 2.322 0.473 550 HG2 PRO 71 HG2 PRO 71 92.153 2.883 -2.003 551 HG3 PRO 71 HG1 PRO 71 90.646 3.543 -1.344 552 HD2 PRO 71 HD2 PRO 71 93.252 4.914 -1.827 553 HD3 PRO 71 HD1 PRO 71 91.602 5.573 -1.881 554 H LYS 72 H LYS 72 94.632 4.714 0.767 555 HA LYS 72 HA LYS 72 95.464 3.407 3.205 556 HB2 LYS 72 HB2 LYS 72 96.795 3.318 1.112 557 HB3 LYS 72 HB3 LYS 72 97.076 5.050 1.245 558 HG2 LYS 72 HG2 LYS 72 98.999 4.168 2.247 559 HG3 LYS 72 HG3 LYS 72 97.969 4.481 3.639 560 HD2 LYS 72 HD2 LYS 72 98.981 2.247 3.806 561 HD3 LYS 72 HD3 LYS 72 97.235 2.113 3.625 562 HE2 LYS 72 HE2 LYS 72 97.398 1.132 1.563 563 HE3 LYS 72 HE3 LYS 72 98.777 2.124 1.085 564 HZ1 LYS 72 HZ1 LYS 72 99.800 0.133 1.352 565 HZ2 LYS 72 HZ2 LYS 72 98.718 -0.410 2.543 566 HZ3 LYS 72 HZ3 LYS 72 99.939 0.702 2.944 567 H LYS 73 H LYS 73 95.525 6.770 1.995 568 HA LYS 73 HA LYS 73 96.754 7.907 4.224 569 HB2 LYS 73 HB2 LYS 73 95.949 8.907 1.875 570 HB3 LYS 73 HB3 LYS 73 94.618 9.487 2.876 571 HG2 LYS 73 HG2 LYS 73 96.420 10.336 4.499 572 HG3 LYS 73 HG3 LYS 73 97.569 10.053 3.192 573 HD2 LYS 73 HD2 LYS 73 97.008 12.262 2.757 574 HD3 LYS 73 HD3 LYS 73 95.794 11.440 1.777 575 HE2 LYS 73 HE2 LYS 73 94.286 11.538 3.858 576 HE3 LYS 73 HE3 LYS 73 95.453 12.689 4.507 577 HZ1 LYS 73 HZ1 LYS 73 94.673 13.252 1.800 578 HZ2 LYS 73 HZ2 LYS 73 94.742 14.284 3.148 579 HZ3 LYS 73 HZ3 LYS 73 93.375 13.309 2.890 580 H TYR 74 H TYR 74 93.377 7.022 3.713 581 HA TYR 74 HA TYR 74 92.339 8.428 5.954 582 HB2 TYR 74 HB2 TYR 74 91.172 7.178 3.883 583 HB3 TYR 74 HB3 TYR 74 91.017 5.903 5.091 584 HD1 TYR 74 HD1 TYR 74 90.647 9.638 4.888 585 HD2 TYR 74 HD2 TYR 74 89.076 5.933 6.393 586 HE1 TYR 74 HE1 TYR 74 88.756 10.861 5.927 587 HE2 TYR 74 HE2 TYR 74 87.188 7.157 7.432 588 HH TYR 74 HH TYR 74 87.160 10.380 7.971 589 H ILE 75 H ILE 75 93.040 4.952 5.533 590 HA ILE 75 HA ILE 75 93.560 4.801 8.445 591 HB ILE 75 HB ILE 75 92.267 2.638 6.764 592 HG12 ILE 75 HG12 ILE 75 90.948 4.337 8.894 593 HG13 ILE 75 HG13 ILE 75 90.896 4.775 7.186 594 HG21 ILE 75 HG21 ILE 75 93.410 1.645 8.607 595 HG22 ILE 75 HG22 ILE 75 91.732 1.788 9.130 596 HG23 ILE 75 HG23 ILE 75 92.934 2.945 9.700 597 HD11 ILE 75 HD11 ILE 75 90.001 2.085 8.251 598 HD12 ILE 75 HD12 ILE 75 89.780 2.711 6.617 599 HD13 ILE 75 HD13 ILE 75 88.905 3.437 7.965 600 HA PRO 76 HA PRO 76 97.332 3.778 5.778 601 HB2 PRO 76 HB2 PRO 76 98.369 4.507 8.499 602 HB3 PRO 76 HB1 PRO 76 99.046 4.878 6.901 603 HG2 PRO 76 HG2 PRO 76 97.690 6.700 8.306 604 HG3 PRO 76 HG1 PRO 76 97.593 6.618 6.540 605 HD2 PRO 76 HD2 PRO 76 95.540 5.900 8.553 606 HD3 PRO 76 HD1 PRO 76 95.338 6.336 6.843 607 H GLY 77 H GLY 77 98.012 1.727 5.621 608 HA2 GLY 77 HA2 GLY 77 99.116 -0.178 6.700 609 HA3 GLY 77 HA3 GLY 77 97.987 0.012 8.039 610 H THR 78 H THR 78 95.749 0.590 6.180 611 HA THR 78 HA THR 78 94.628 -1.952 5.969 612 HB THR 78 HB THR 78 93.377 0.213 5.868 613 HG1 THR 78 HG1 THR 78 93.039 -1.991 4.292 614 HG21 THR 78 HG21 THR 78 93.327 1.492 3.869 615 HG22 THR 78 HG22 THR 78 94.170 0.240 2.958 616 HG23 THR 78 HG23 THR 78 95.035 1.179 4.175 617 H LYS 79 H LYS 79 94.790 -3.575 4.526 618 HA LYS 79 HA LYS 79 96.784 -3.385 2.449 619 HB2 LYS 79 HB2 LYS 79 96.326 -5.445 3.839 620 HB3 LYS 79 HB3 LYS 79 94.833 -5.642 2.925 621 HG2 LYS 79 HG2 LYS 79 96.268 -6.952 1.654 622 HG3 LYS 79 HG3 LYS 79 96.459 -5.401 0.838 623 HD2 LYS 79 HD2 LYS 79 98.462 -4.929 2.213 624 HD3 LYS 79 HD3 LYS 79 98.276 -6.491 3.010 625 HE2 LYS 79 HE2 LYS 79 98.936 -5.951 0.111 626 HE3 LYS 79 HE3 LYS 79 99.885 -6.852 1.292 627 HZ1 LYS 79 HZ1 LYS 79 97.416 -7.649 -0.099 628 HZ2 LYS 79 HZ2 LYS 79 97.800 -8.338 1.405 629 HZ3 LYS 79 HZ3 LYS 79 98.864 -8.511 0.091 630 H MET 80 H MET 80 96.035 -1.860 0.963 631 HA MET 80 HA MET 80 94.458 -2.837 -1.160 632 HB2 MET 80 HB2 MET 80 92.542 -2.516 0.285 633 HB3 MET 80 HB1 MET 80 93.061 -0.875 0.673 634 HG2 MET 80 HG2 MET 80 92.672 -0.122 -1.565 635 HG3 MET 80 HG1 MET 80 92.481 -1.772 -2.158 636 HE1 MET 80 HE1 MET 80 90.237 -0.142 -3.186 637 HE2 MET 80 HE2 MET 80 90.778 1.096 -2.057 638 HE3 MET 80 HE3 MET 80 89.098 0.575 -2.037 639 H ILE 81 H ILE 81 96.084 -2.036 -2.446 640 HA ILE 81 HA ILE 81 96.190 0.905 -2.702 641 HB ILE 81 HB ILE 81 98.565 -0.973 -2.828 642 HG12 ILE 81 HG12 ILE 81 99.190 0.756 -0.879 643 HG13 ILE 81 HG13 ILE 81 97.438 0.844 -0.723 644 HG21 ILE 81 HG21 ILE 81 98.924 0.792 -4.389 645 HG22 ILE 81 HG22 ILE 81 99.784 1.278 -2.928 646 HG23 ILE 81 HG23 ILE 81 98.218 1.992 -3.308 647 HD11 ILE 81 HD11 ILE 81 97.805 -0.951 0.668 648 HD12 ILE 81 HD12 ILE 81 99.280 -1.430 -0.166 649 HD13 ILE 81 HD13 ILE 81 97.709 -1.836 -0.851 650 H PHE 82 H PHE 82 94.671 0.567 -4.443 651 HA PHE 82 HA PHE 82 95.872 -0.640 -6.868 652 HB2 PHE 82 HB2 PHE 82 93.791 -1.728 -6.192 653 HB3 PHE 82 HB1 PHE 82 92.961 -0.173 -6.171 654 HD1 PHE 82 HD2 PHE 82 95.115 -2.215 -8.475 655 HD2 PHE 82 HD1 PHE 82 91.751 0.429 -8.077 656 HE1 PHE 82 HE2 PHE 82 94.653 -2.436 -10.900 657 HE2 PHE 82 HE1 PHE 82 91.291 0.206 -10.503 658 HZ PHE 82 HZ PHE 82 92.741 -1.227 -11.915 659 H ALA 83 H ALA 83 93.289 1.747 -6.313 660 HA ALA 83 HA ALA 83 94.739 3.970 -7.320 661 HB1 ALA 83 HB1 ALA 83 94.552 2.707 -9.437 662 HB2 ALA 83 HB2 ALA 83 93.647 4.219 -9.495 663 HB3 ALA 83 HB3 ALA 83 92.798 2.692 -9.260 664 H GLY 84 H GLY 84 93.818 5.499 -6.118 665 HA2 GLY 84 HA2 GLY 84 91.196 5.336 -5.048 666 HA3 GLY 84 HA3 GLY 84 92.228 6.764 -5.033 667 H ILE 85 H ILE 85 89.687 7.345 -5.350 668 HA ILE 85 HA ILE 85 88.954 7.396 -8.175 669 HB ILE 85 HB ILE 85 87.592 8.449 -5.689 670 HG12 ILE 85 HG12 ILE 85 87.798 5.883 -6.350 671 HG13 ILE 85 HG13 ILE 85 86.270 6.533 -5.762 672 HG21 ILE 85 HG21 ILE 85 85.620 8.630 -7.348 673 HG22 ILE 85 HG22 ILE 85 86.851 8.601 -8.609 674 HG23 ILE 85 HG23 ILE 85 86.851 9.892 -7.408 675 HD11 ILE 85 HD11 ILE 85 85.331 6.624 -7.924 676 HD12 ILE 85 HD12 ILE 85 86.204 5.092 -7.907 677 HD13 ILE 85 HD13 ILE 85 86.905 6.497 -8.710 678 H LYS 86 H LYS 86 88.406 9.445 -9.242 679 HA LYS 86 HA LYS 86 90.359 11.522 -8.518 680 HB2 LYS 86 HB2 LYS 86 90.438 10.556 -10.799 681 HB3 LYS 86 HB3 LYS 86 88.804 11.153 -11.087 682 HG2 LYS 86 HG2 LYS 86 89.476 13.358 -11.217 683 HG3 LYS 86 HG3 LYS 86 90.814 13.129 -10.092 684 HD2 LYS 86 HD2 LYS 86 92.032 11.848 -11.853 685 HD3 LYS 86 HD3 LYS 86 90.717 12.200 -12.977 686 HE2 LYS 86 HE2 LYS 86 91.185 14.515 -12.984 687 HE3 LYS 86 HE3 LYS 86 92.147 14.415 -11.509 688 HZ1 LYS 86 HZ1 LYS 86 93.019 12.840 -13.810 689 HZ2 LYS 86 HZ2 LYS 86 93.941 13.618 -12.614 690 HZ3 LYS 86 HZ3 LYS 86 93.253 14.517 -13.881 691 H LYS 87 H LYS 87 87.162 11.658 -10.119 692 HA LYS 87 HA LYS 87 86.666 14.251 -8.924 693 HB2 LYS 87 HB2 LYS 87 85.065 12.508 -10.800 694 HB3 LYS 87 HB3 LYS 87 84.507 14.077 -10.217 695 HG2 LYS 87 HG2 LYS 87 86.634 15.086 -11.099 696 HG3 LYS 87 HG3 LYS 87 87.023 13.523 -11.817 697 HD2 LYS 87 HD2 LYS 87 84.994 13.596 -13.170 698 HD3 LYS 87 HD3 LYS 87 84.497 15.100 -12.394 699 HE2 LYS 87 HE2 LYS 87 87.110 14.825 -13.894 700 HE3 LYS 87 HE3 LYS 87 85.619 15.360 -14.669 701 HZ1 LYS 87 HZ1 LYS 87 85.534 17.265 -13.374 702 HZ2 LYS 87 HZ2 LYS 87 87.190 17.120 -13.723 703 HZ3 LYS 87 HZ3 LYS 87 86.597 16.654 -12.202 704 H LYS 88 H LYS 88 84.600 14.743 -7.851 705 HA LYS 88 HA LYS 88 84.199 13.037 -5.601 706 HB2 LYS 88 HB2 LYS 88 83.913 15.563 -5.663 707 HB3 LYS 88 HB3 LYS 88 82.377 15.277 -6.482 708 HG2 LYS 88 HG2 LYS 88 81.864 13.665 -4.506 709 HG3 LYS 88 HG3 LYS 88 83.187 14.492 -3.684 710 HD2 LYS 88 HD2 LYS 88 81.386 15.804 -3.017 711 HD3 LYS 88 HD3 LYS 88 81.902 16.672 -4.461 712 HE2 LYS 88 HE2 LYS 88 80.229 14.999 -5.667 713 HE3 LYS 88 HE3 LYS 88 79.506 14.917 -4.061 714 HZ1 LYS 88 HZ1 LYS 88 79.044 17.175 -4.065 715 HZ2 LYS 88 HZ2 LYS 88 78.689 16.711 -5.660 716 HZ3 LYS 88 HZ3 LYS 88 80.145 17.512 -5.310 717 H THR 89 H THR 89 82.032 13.960 -8.300 718 HA THR 89 HA THR 89 79.857 12.382 -7.665 719 HB THR 89 HB THR 89 79.394 12.293 -10.108 720 HG1 THR 89 HG1 THR 89 82.062 13.055 -10.119 721 HG21 THR 89 HG21 THR 89 78.786 14.266 -8.743 722 HG22 THR 89 HG22 THR 89 79.210 14.726 -10.393 723 HG23 THR 89 HG23 THR 89 80.365 14.975 -9.084 724 H GLU 90 H GLU 90 82.966 11.421 -8.909 725 HA GLU 90 HA GLU 90 82.205 8.819 -9.797 726 HB2 GLU 90 HB2 GLU 90 84.842 10.048 -8.995 727 HB3 GLU 90 HB3 GLU 90 84.706 8.351 -9.449 728 HG2 GLU 90 HG2 GLU 90 83.858 8.937 -11.633 729 HG3 GLU 90 HG3 GLU 90 83.751 10.638 -11.185 730 H ARG 91 H ARG 91 83.251 10.219 -6.753 731 HA ARG 91 HA ARG 91 83.406 7.701 -5.356 732 HB2 ARG 91 HB2 ARG 91 83.346 10.575 -4.397 733 HB3 ARG 91 HB3 ARG 91 83.553 9.186 -3.333 734 HG2 ARG 91 HG2 ARG 91 85.532 8.505 -4.730 735 HG3 ARG 91 HG3 ARG 91 85.373 10.034 -5.595 736 HD2 ARG 91 HD2 ARG 91 85.537 10.032 -2.593 737 HD3 ARG 91 HD3 ARG 91 87.004 9.882 -3.551 738 HE ARG 91 HE ARG 91 85.503 12.266 -3.150 739 HH11 ARG 91 HH21 ARG 91 87.287 10.471 -5.512 740 HH12 ARG 91 HH22 ARG 91 87.739 11.867 -6.432 741 HH21 ARG 91 HH11 ARG 91 86.098 14.099 -4.349 742 HH22 ARG 91 HH12 ARG 91 87.067 13.920 -5.773 743 H GLU 92 H GLU 92 81.146 10.465 -5.355 744 HA GLU 92 HA GLU 92 79.282 9.409 -3.550 745 HB2 GLU 92 HB2 GLU 92 79.362 11.773 -4.472 746 HB3 GLU 92 HB3 GLU 92 78.594 11.143 -5.929 747 HG2 GLU 92 HG2 GLU 92 76.797 10.172 -4.395 748 HG3 GLU 92 HG3 GLU 92 77.493 11.161 -3.113 749 H ASP 93 H ASP 93 79.248 9.318 -7.127 750 HA ASP 93 HA ASP 93 76.969 7.705 -7.404 751 HB2 ASP 93 HB2 ASP 93 79.414 7.871 -9.183 752 HB3 ASP 93 HB1 ASP 93 77.868 7.158 -9.642 753 H LEU 94 H LEU 94 80.408 6.822 -7.211 754 HA LEU 94 HA LEU 94 80.106 4.039 -7.458 755 HB2 LEU 94 HB2 LEU 94 82.302 5.103 -7.598 756 HB3 LEU 94 HB3 LEU 94 82.171 5.623 -5.920 757 HG LEU 94 HG LEU 94 82.133 3.308 -5.159 758 HD11 LEU 94 HD11 LEU 94 81.990 2.797 -8.115 759 HD12 LEU 94 HD12 LEU 94 81.061 2.059 -6.809 760 HD13 LEU 94 HD13 LEU 94 82.743 1.596 -7.064 761 HD21 LEU 94 HD21 LEU 94 84.409 2.799 -5.554 762 HD22 LEU 94 HD22 LEU 94 84.320 4.550 -5.721 763 HD23 LEU 94 HD23 LEU 94 84.384 3.529 -7.158 764 H ILE 95 H ILE 95 79.867 6.194 -4.697 765 HA ILE 95 HA ILE 95 79.668 4.072 -2.792 766 HB ILE 95 HB ILE 95 79.339 7.049 -2.667 767 HG12 ILE 95 HG12 ILE 95 81.099 5.427 -0.876 768 HG13 ILE 95 HG13 ILE 95 81.534 5.481 -2.578 769 HG21 ILE 95 HG21 ILE 95 77.704 6.529 -1.089 770 HG22 ILE 95 HG22 ILE 95 79.151 6.487 -0.084 771 HG23 ILE 95 HG23 ILE 95 78.447 4.983 -0.679 772 HD11 ILE 95 HD11 ILE 95 82.321 7.345 -0.769 773 HD12 ILE 95 HD12 ILE 95 80.847 8.096 -1.370 774 HD13 ILE 95 HD13 ILE 95 82.139 7.671 -2.488 775 H ALA 96 H ALA 96 77.461 5.874 -4.767 776 HA ALA 96 HA ALA 96 75.079 5.336 -3.317 777 HB1 ALA 96 HB1 ALA 96 75.330 5.679 -6.310 778 HB2 ALA 96 HB2 ALA 96 75.357 7.030 -5.178 779 HB3 ALA 96 HB3 ALA 96 73.921 6.014 -5.304 780 H TYR 97 H TYR 97 76.940 3.580 -5.729 781 HA TYR 97 HA TYR 97 74.981 1.480 -6.031 782 HB2 TYR 97 HB2 TYR 97 76.390 1.867 -7.923 783 HB3 TYR 97 HB3 TYR 97 77.850 1.774 -6.937 784 HD1 TYR 97 HD1 TYR 97 74.993 -0.206 -8.268 785 HD2 TYR 97 HD2 TYR 97 78.852 -0.326 -6.389 786 HE1 TYR 97 HE1 TYR 97 75.093 -2.653 -8.634 787 HE2 TYR 97 HE2 TYR 97 78.952 -2.776 -6.756 788 HH TYR 97 HH TYR 97 76.275 -4.621 -7.583 789 H LEU 98 H LEU 98 78.041 1.940 -4.291 790 HA LEU 98 HA LEU 98 78.330 -0.666 -3.299 791 HB2 LEU 98 HB2 LEU 98 79.224 2.028 -2.304 792 HB3 LEU 98 HB3 LEU 98 79.547 0.573 -1.367 793 HG LEU 98 HG LEU 98 80.256 0.717 -4.298 794 HD11 LEU 98 HD11 LEU 98 82.492 1.455 -3.709 795 HD12 LEU 98 HD12 LEU 98 82.067 1.493 -1.998 796 HD13 LEU 98 HD13 LEU 98 81.329 2.637 -3.117 797 HD21 LEU 98 HD21 LEU 98 80.325 -1.324 -2.403 798 HD22 LEU 98 HD22 LEU 98 81.986 -0.737 -2.429 799 HD23 LEU 98 HD23 LEU 98 81.226 -1.292 -3.917 800 H LYS 99 H LYS 99 76.185 1.917 -2.407 801 HA LYS 99 HA LYS 99 75.502 0.854 0.186 802 HB2 LYS 99 HB2 LYS 99 74.438 3.049 -1.567 803 HB3 LYS 99 HB3 LYS 99 73.503 2.506 -0.173 804 HG2 LYS 99 HG2 LYS 99 75.590 2.857 1.230 805 HG3 LYS 99 HG3 LYS 99 76.312 3.643 -0.173 806 HD2 LYS 99 HD2 LYS 99 73.670 4.492 1.045 807 HD3 LYS 99 HD3 LYS 99 75.218 5.227 1.465 808 HE2 LYS 99 HE2 LYS 99 75.530 5.636 -1.049 809 HE3 LYS 99 HE3 LYS 99 73.820 5.237 -1.215 810 HZ1 LYS 99 HZ1 LYS 99 74.077 7.597 -0.963 811 HZ2 LYS 99 HZ2 LYS 99 74.975 7.396 0.465 812 HZ3 LYS 99 HZ3 LYS 99 73.330 6.975 0.427 813 H LYS 100 H LYS 100 73.772 1.093 -2.928 814 HA LYS 100 HA LYS 100 71.627 -0.595 -2.062 815 HB2 LYS 100 HB2 LYS 100 72.448 0.175 -4.872 816 HB3 LYS 100 HB3 LYS 100 70.888 -0.489 -4.384 817 HG2 LYS 100 HG2 LYS 100 70.711 1.513 -2.786 818 HG3 LYS 100 HG3 LYS 100 72.069 2.201 -3.675 819 HD2 LYS 100 HD2 LYS 100 70.301 3.098 -4.881 820 HD3 LYS 100 HD3 LYS 100 70.565 1.607 -5.784 821 HE2 LYS 100 HE2 LYS 100 68.240 1.604 -5.407 822 HE3 LYS 100 HE3 LYS 100 68.856 0.558 -4.127 823 HZ1 LYS 100 HZ1 LYS 100 67.381 2.905 -3.858 824 HZ2 LYS 100 HZ2 LYS 100 68.935 3.227 -3.252 825 HZ3 LYS 100 HZ3 LYS 100 68.028 1.935 -2.627 826 H ALA 101 H ALA 101 74.784 -1.176 -3.231 827 HA ALA 101 HA ALA 101 74.195 -3.823 -4.289 828 HB1 ALA 101 HB1 ALA 101 76.808 -2.360 -3.853 829 HB2 ALA 101 HB2 ALA 101 75.936 -2.521 -5.378 830 HB3 ALA 101 HB3 ALA 101 76.656 -3.941 -4.619 831 H THR 102 H THR 102 75.368 -2.339 -1.358 832 HA THR 102 HA THR 102 76.136 -4.930 -0.217 833 HB THR 102 HB THR 102 76.842 -3.521 1.732 834 HG1 THR 102 HG1 THR 102 75.633 -1.625 0.110 835 HG21 THR 102 HG21 THR 102 78.462 -4.131 0.050 836 HG22 THR 102 HG22 THR 102 78.731 -2.441 0.478 837 HG23 THR 102 HG23 THR 102 77.899 -2.852 -1.023 838 H ASN 103 H ASN 103 73.360 -3.321 -0.679 839 HA ASN 103 HA ASN 103 72.198 -3.901 1.963 840 HB2 ASN 103 HB2 ASN 103 71.301 -2.281 -0.412 841 HB3 ASN 103 HB1 ASN 103 70.191 -2.717 0.881 842 HD21 ASN 103 HD21 ASN 103 73.568 -2.181 1.649 843 HD22 ASN 103 HD22 ASN 103 73.343 -0.697 2.440 844 H GLU 104 H GLU 104 72.356 -5.036 -1.282 845 HA GLU 104 HA GLU 104 70.777 -7.371 -0.599 846 HB2 GLU 104 HB2 GLU 104 69.152 -7.132 -2.384 847 HB3 GLU 104 HB3 GLU 104 69.057 -5.721 -1.331 848 HG2 GLU 104 HG2 GLU 104 70.617 -4.538 -2.926 849 HG3 GLU 104 HG3 GLU 104 70.436 -5.907 -4.020 850 HHA HEC 201 HA HEC 105 89.400 -3.498 3.161 851 HHB HEC 201 HB HEC 105 85.569 0.017 -0.438 852 HHC HEC 201 HC HEC 105 88.819 -1.740 -5.577 853 HHD HEC 201 HD HEC 105 92.217 -5.734 -2.039 854 HMA1 HEC 201 HMA1 HEC 105 85.199 -0.437 3.286 855 HMA2 HEC 201 HMA2 HEC 105 84.631 -0.276 1.627 856 HMA3 HEC 201 HMA3 HEC 105 85.795 0.880 2.276 857 HAA1 HEC 201 HAA1 HEC 105 87.107 -0.846 4.461 858 HAA2 HEC 201 HAA2 HEC 105 88.475 -1.937 4.409 859 HBA1 HEC 201 HBA1 HEC 105 87.182 -3.806 4.764 860 HBA2 HEC 201 HBA2 HEC 105 85.766 -3.113 3.979 861 HMB1 HEC 201 HMB1 HEC 105 84.133 0.172 -2.722 862 HMB2 HEC 201 HMB2 HEC 105 84.837 1.215 -3.953 863 HMB3 HEC 201 HMB3 HEC 105 85.145 1.534 -2.249 864 HAB HEC 201 HAB HEC 105 87.274 -0.583 -6.226 865 HBB1 HEC 201 HBB1 HEC 105 87.881 1.642 -6.065 866 HBB2 HEC 201 HBB2 HEC 105 86.193 1.822 -6.536 867 HBB3 HEC 201 HBB3 HEC 105 86.661 2.002 -4.846 868 HMC1 HEC 201 HMC1 HEC 105 89.785 -3.324 -6.931 869 HMC2 HEC 201 HMC2 HEC 105 91.280 -4.249 -6.949 870 HMC3 HEC 201 HMC3 HEC 105 91.324 -2.508 -6.682 871 HAC HEC 201 HAC HEC 105 92.678 -6.130 -3.962 872 HBC1 HEC 201 HBC1 HEC 105 93.497 -3.905 -5.473 873 HBC2 HEC 201 HBC2 HEC 105 93.338 -5.213 -6.644 874 HBC3 HEC 201 HBC3 HEC 105 94.393 -5.405 -5.246 875 HMD1 HEC 201 HMD1 HEC 105 93.448 -6.285 -0.276 876 HMD2 HEC 201 HMD2 HEC 105 92.311 -7.482 0.344 877 HMD3 HEC 201 HMD3 HEC 105 93.300 -6.539 1.459 878 HAD1 HEC 201 HAD1 HEC 105 91.966 -6.267 3.131 879 HAD2 HEC 201 HAD2 HEC 105 90.470 -5.514 3.642 880 HBD1 HEC 201 HBD1 HEC 105 91.628 -3.347 3.848 881 HBD2 HEC 201 HBD2 HEC 105 93.134 -4.111 3.352 882 H1 HOH 301 H2 HOH 200 81.609 3.531 -0.671 883 H2 HOH 301 H1 HOH 200 80.103 3.711 -0.670 884 H1 HOH 302 H2 HOH 201 85.249 5.244 6.923 885 H2 HOH 302 H1 HOH 201 85.943 4.809 5.649 886 H1 HOH 303 H2 HOH 202 81.817 -6.286 4.785 887 H2 HOH 303 H1 HOH 202 81.597 -6.096 6.271 888 H1 HOH 304 H2 HOH 203 83.734 -9.806 -0.495 889 H2 HOH 304 H1 HOH 203 82.683 -10.889 -0.367 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 76.210 9.484 -6.509 2 H2 GLY 1 H2 GLY 1 75.145 8.178 -6.732 3 H3 GLY 1 H3 GLY 1 75.033 9.140 -5.336 4 HA2 GLY 1 HA2 GLY 1 73.495 10.334 -6.369 5 HA3 GLY 1 HA3 GLY 1 74.799 10.927 -7.399 6 H ASP 2 H ASP 2 75.255 8.092 -8.350 7 HA ASP 2 HA ASP 2 72.835 7.599 -9.936 8 HB2 ASP 2 HB2 ASP 2 75.546 8.254 -11.092 9 HB3 ASP 2 HB1 ASP 2 74.268 7.455 -12.006 10 H VAL 3 H VAL 3 72.713 5.698 -8.663 11 HA VAL 3 HA VAL 3 74.617 3.783 -8.196 12 HB VAL 3 HB VAL 3 72.390 3.553 -7.295 13 HG11 VAL 3 HG11 VAL 3 71.499 3.146 -10.167 14 HG12 VAL 3 HG12 VAL 3 71.187 4.585 -9.195 15 HG13 VAL 3 HG13 VAL 3 70.464 3.042 -8.742 16 HG21 VAL 3 HG21 VAL 3 72.696 1.293 -9.281 17 HG22 VAL 3 HG22 VAL 3 72.052 1.220 -7.640 18 HG23 VAL 3 HG23 VAL 3 73.776 1.478 -7.900 19 H GLU 4 H GLU 4 73.338 4.777 -11.225 20 HA GLU 4 HA GLU 4 73.844 2.355 -12.673 21 HB2 GLU 4 HB2 GLU 4 73.656 5.176 -13.752 22 HB3 GLU 4 HB3 GLU 4 73.454 3.679 -14.661 23 HG2 GLU 4 HG2 GLU 4 71.233 4.207 -14.242 24 HG3 GLU 4 HG3 GLU 4 71.586 3.198 -12.840 25 H LYS 5 H LYS 5 75.527 5.511 -12.687 26 HA LYS 5 HA LYS 5 77.808 4.443 -14.054 27 HB2 LYS 5 HB2 LYS 5 77.244 7.048 -12.639 28 HB3 LYS 5 HB3 LYS 5 78.844 6.676 -13.281 29 HG2 LYS 5 HG2 LYS 5 78.009 6.479 -15.514 30 HG3 LYS 5 HG3 LYS 5 76.335 6.487 -14.960 31 HD2 LYS 5 HD2 LYS 5 78.083 8.838 -14.299 32 HD3 LYS 5 HD3 LYS 5 77.435 8.695 -15.932 33 HE2 LYS 5 HE2 LYS 5 75.144 8.478 -14.974 34 HE3 LYS 5 HE3 LYS 5 75.820 8.722 -13.364 35 HZ1 LYS 5 HZ1 LYS 5 75.605 10.883 -13.728 36 HZ2 LYS 5 HZ2 LYS 5 75.197 10.644 -15.360 37 HZ3 LYS 5 HZ3 LYS 5 76.827 10.766 -14.898 38 H GLY 6 H GLY 6 76.759 4.528 -10.796 39 HA2 GLY 6 HA2 GLY 6 79.331 4.346 -9.539 40 HA3 GLY 6 HA3 GLY 6 77.780 3.928 -8.806 41 H LYS 7 H LYS 7 76.982 2.129 -10.886 42 HA LYS 7 HA LYS 7 78.156 -0.284 -9.932 43 HB2 LYS 7 HB2 LYS 7 75.799 -0.016 -10.814 44 HB3 LYS 7 HB3 LYS 7 76.495 0.078 -12.431 45 HG2 LYS 7 HG2 LYS 7 77.733 -2.164 -11.554 46 HG3 LYS 7 HG3 LYS 7 76.254 -2.263 -10.604 47 HD2 LYS 7 HD2 LYS 7 75.857 -3.438 -12.672 48 HD3 LYS 7 HD3 LYS 7 74.950 -1.929 -12.739 49 HE2 LYS 7 HE2 LYS 7 76.263 -1.060 -14.409 50 HE3 LYS 7 HE3 LYS 7 77.731 -1.820 -13.796 51 HZ1 LYS 7 HZ1 LYS 7 76.424 -3.972 -14.526 52 HZ2 LYS 7 HZ2 LYS 7 77.386 -3.093 -15.617 53 HZ3 LYS 7 HZ3 LYS 7 75.701 -2.882 -15.604 54 H LYS 8 H LYS 8 78.441 1.589 -12.947 55 HA LYS 8 HA LYS 8 80.104 -0.195 -14.344 56 HB2 LYS 8 HB2 LYS 8 79.046 1.695 -15.447 57 HB3 LYS 8 HB3 LYS 8 79.972 2.827 -14.463 58 HG2 LYS 8 HG2 LYS 8 81.611 0.822 -15.903 59 HG3 LYS 8 HG3 LYS 8 80.749 1.948 -16.948 60 HD2 LYS 8 HD2 LYS 8 82.280 2.987 -14.571 61 HD3 LYS 8 HD3 LYS 8 83.130 2.596 -16.065 62 HE2 LYS 8 HE2 LYS 8 81.553 4.087 -17.304 63 HE3 LYS 8 HE3 LYS 8 80.826 4.544 -15.764 64 HZ1 LYS 8 HZ1 LYS 8 83.034 5.295 -15.034 65 HZ2 LYS 8 HZ2 LYS 8 82.468 6.158 -16.383 66 HZ3 LYS 8 HZ3 LYS 8 83.652 4.954 -16.576 67 H ILE 9 H ILE 9 80.922 2.513 -12.195 68 HA ILE 9 HA ILE 9 83.736 2.235 -12.431 69 HB ILE 9 HB ILE 9 82.076 3.473 -10.228 70 HG12 ILE 9 HG12 ILE 9 83.510 4.853 -12.507 71 HG13 ILE 9 HG13 ILE 9 81.830 4.334 -12.639 72 HG21 ILE 9 HG21 ILE 9 84.203 4.779 -9.845 73 HG22 ILE 9 HG22 ILE 9 85.015 3.656 -10.937 74 HG23 ILE 9 HG23 ILE 9 84.317 3.069 -9.428 75 HD11 ILE 9 HD11 ILE 9 82.890 6.144 -10.449 76 HD12 ILE 9 HD12 ILE 9 81.203 5.706 -10.728 77 HD13 ILE 9 HD13 ILE 9 82.059 6.714 -11.897 78 H PHE 10 H PHE 10 81.347 0.556 -10.588 79 HA PHE 10 HA PHE 10 83.199 -0.432 -8.595 80 HB2 PHE 10 HB2 PHE 10 81.053 -0.312 -7.722 81 HB3 PHE 10 HB1 PHE 10 80.301 -0.860 -9.220 82 HD1 PHE 10 HD1 PHE 10 80.284 -3.239 -9.831 83 HD2 PHE 10 HD2 PHE 10 81.972 -1.898 -6.119 84 HE1 PHE 10 HE1 PHE 10 80.294 -5.572 -8.997 85 HE2 PHE 10 HE2 PHE 10 81.983 -4.234 -5.281 86 HZ PHE 10 HZ PHE 10 81.145 -6.072 -6.725 87 H VAL 11 H VAL 11 81.391 -1.931 -11.294 88 HA VAL 11 HA VAL 11 82.416 -4.506 -11.065 89 HB VAL 11 HB VAL 11 81.876 -4.758 -13.472 90 HG11 VAL 11 HG11 VAL 11 80.154 -4.765 -11.581 91 HG12 VAL 11 HG12 VAL 11 79.530 -4.452 -13.201 92 HG13 VAL 11 HG13 VAL 11 79.762 -3.119 -12.074 93 HG21 VAL 11 HG21 VAL 11 82.634 -2.519 -14.196 94 HG22 VAL 11 HG22 VAL 11 81.318 -1.786 -13.282 95 HG23 VAL 11 HG23 VAL 11 80.960 -2.806 -14.672 96 H GLN 12 H GLN 12 83.843 -1.646 -12.489 97 HA GLN 12 HA GLN 12 86.056 -3.230 -13.583 98 HB2 GLN 12 HB2 GLN 12 86.729 -1.228 -14.712 99 HB3 GLN 12 HB1 GLN 12 84.986 -1.410 -14.909 100 HG2 GLN 12 HG2 GLN 12 84.697 0.119 -12.909 101 HG3 GLN 12 HG1 GLN 12 86.432 0.430 -12.989 102 HE21 GLN 12 HE21 GLN 12 85.710 -0.080 -16.129 103 HE22 GLN 12 HE22 GLN 12 85.315 1.495 -16.613 104 H LYS 13 H LYS 13 85.391 -1.118 -10.870 105 HA LYS 13 HA LYS 13 88.274 -0.904 -10.323 106 HB2 LYS 13 HB2 LYS 13 86.652 1.095 -10.315 107 HB3 LYS 13 HB3 LYS 13 86.138 0.489 -8.741 108 HG2 LYS 13 HG2 LYS 13 88.362 0.695 -7.850 109 HG3 LYS 13 HG3 LYS 13 89.039 1.014 -9.445 110 HD2 LYS 13 HD2 LYS 13 86.884 2.838 -8.436 111 HD3 LYS 13 HD3 LYS 13 88.506 3.013 -7.768 112 HE2 LYS 13 HE2 LYS 13 89.418 3.239 -10.057 113 HE3 LYS 13 HE3 LYS 13 87.788 3.089 -10.714 114 HZ1 LYS 13 HZ1 LYS 13 88.770 5.420 -10.306 115 HZ2 LYS 13 HZ2 LYS 13 88.377 5.131 -8.678 116 HZ3 LYS 13 HZ3 LYS 13 87.160 5.118 -9.864 117 H CYS 14 H CYS 14 85.391 -1.420 -8.220 118 HA CYS 14 HA CYS 14 87.094 -2.662 -6.238 119 HB2 CYS 14 HB2 CYS 14 84.115 -2.609 -6.042 120 HB3 CYS 14 HB1 CYS 14 85.313 -2.478 -4.758 121 H ALA 15 H ALA 15 84.623 -3.865 -8.478 122 HA ALA 15 HA ALA 15 84.109 -6.338 -7.404 123 HB1 ALA 15 HB1 ALA 15 82.930 -5.905 -9.356 124 HB2 ALA 15 HB2 ALA 15 84.101 -7.102 -9.913 125 HB3 ALA 15 HB3 ALA 15 84.369 -5.388 -10.232 126 H GLN 16 H GLN 16 87.086 -5.224 -8.826 127 HA GLN 16 HA GLN 16 88.372 -7.533 -9.563 128 HB2 GLN 16 HB2 GLN 16 89.497 -5.164 -8.066 129 HB3 GLN 16 HB1 GLN 16 90.481 -6.416 -8.820 130 HG2 GLN 16 HG2 GLN 16 89.140 -5.893 -10.974 131 HG3 GLN 16 HG1 GLN 16 88.653 -4.415 -10.146 132 HE21 GLN 16 HE21 GLN 16 91.647 -6.259 -10.961 133 HE22 GLN 16 HE22 GLN 16 92.608 -4.877 -11.178 134 H CYS 17 H CYS 17 88.643 -6.131 -6.264 135 HA CYS 17 HA CYS 17 89.032 -8.895 -5.261 136 HB2 CYS 17 HB2 CYS 17 90.180 -6.699 -3.651 137 HB3 CYS 17 HB1 CYS 17 90.854 -8.273 -4.054 138 H HIS 18 H HSD 18 86.453 -8.022 -5.365 139 HA HIS 18 HA HSD 18 85.783 -7.923 -2.535 140 HB2 HIS 18 HB2 HSD 18 85.234 -5.629 -4.391 141 HB3 HIS 18 HB1 HSD 18 84.107 -5.989 -3.087 142 HD1 HIS 18 HD1 HSD 18 84.983 -5.731 -0.634 143 HD2 HIS 18 HD2 HSD 18 87.721 -4.584 -3.554 144 HE1 HIS 18 HE1 HSD 18 86.804 -4.437 0.562 145 H THR 19 H THR 19 83.193 -7.603 -2.474 146 HA THR 19 HA THR 19 81.949 -9.196 -4.608 147 HB THR 19 HB THR 19 80.878 -10.131 -2.142 148 HG1 THR 19 HG1 THR 19 83.185 -11.097 -1.688 149 HG21 THR 19 HG21 THR 19 81.168 -11.306 -4.385 150 HG22 THR 19 HG22 THR 19 81.556 -12.269 -2.960 151 HG23 THR 19 HG23 THR 19 82.852 -11.565 -3.927 152 H VAL 20 H VAL 20 81.559 -7.298 -1.656 153 HA VAL 20 HA VAL 20 79.821 -6.031 -0.857 154 HB VAL 20 HB VAL 20 79.146 -4.279 -2.343 155 HG11 VAL 20 HG11 VAL 20 81.932 -5.184 -3.121 156 HG12 VAL 20 HG12 VAL 20 81.538 -4.374 -1.607 157 HG13 VAL 20 HG13 VAL 20 81.318 -3.532 -3.140 158 HG21 VAL 20 HG21 VAL 20 79.302 -4.387 -4.704 159 HG22 VAL 20 HG22 VAL 20 78.615 -5.942 -4.244 160 HG23 VAL 20 HG23 VAL 20 80.324 -5.819 -4.653 161 H GLU 21 H GLU 21 79.095 -8.776 -2.051 162 HA GLU 21 HA GLU 21 76.239 -8.220 -2.582 163 HB2 GLU 21 HB2 GLU 21 76.277 -10.698 -3.308 164 HB3 GLU 21 HB3 GLU 21 77.040 -9.515 -4.369 165 HG2 GLU 21 HG2 GLU 21 79.204 -10.163 -3.752 166 HG3 GLU 21 HG3 GLU 21 78.662 -10.902 -2.249 167 H LYS 22 H LYS 22 74.961 -8.417 -0.889 168 HA LYS 22 HA LYS 22 75.607 -9.366 1.615 169 HB2 LYS 22 HB2 LYS 22 73.595 -8.025 1.083 170 HB3 LYS 22 HB3 LYS 22 72.865 -9.449 0.340 171 HG2 LYS 22 HG2 LYS 22 72.636 -10.566 2.382 172 HG3 LYS 22 HG3 LYS 22 73.905 -9.618 3.158 173 HD2 LYS 22 HD2 LYS 22 72.510 -7.716 3.375 174 HD3 LYS 22 HD3 LYS 22 71.333 -8.347 2.223 175 HE2 LYS 22 HE2 LYS 22 71.949 -9.723 4.846 176 HE3 LYS 22 HE3 LYS 22 70.666 -8.524 4.678 177 HZ1 LYS 22 HZ1 LYS 22 70.843 -11.229 3.585 178 HZ2 LYS 22 HZ2 LYS 22 70.056 -10.053 2.644 179 HZ3 LYS 22 HZ3 LYS 22 69.503 -10.400 4.212 180 H GLY 23 H GLY 23 75.978 -11.301 2.454 181 HA2 GLY 23 HA2 GLY 23 75.977 -13.571 2.798 182 HA3 GLY 23 HA3 GLY 23 74.489 -13.634 1.863 183 H GLY 24 H GLY 24 77.407 -12.301 0.466 184 HA2 GLY 24 HA2 GLY 24 77.371 -14.387 -1.570 185 HA3 GLY 24 HA3 GLY 24 78.350 -12.929 -1.580 186 H LYS 25 H LYS 25 80.408 -13.554 -1.723 187 HA LYS 25 HA LYS 25 81.525 -15.202 0.406 188 HB2 LYS 25 HB2 LYS 25 82.543 -16.820 -1.046 189 HB3 LYS 25 HB3 LYS 25 80.823 -16.779 -1.432 190 HG2 LYS 25 HG2 LYS 25 81.597 -14.940 -3.188 191 HG3 LYS 25 HG3 LYS 25 83.151 -15.754 -3.023 192 HD2 LYS 25 HD2 LYS 25 82.336 -17.141 -4.642 193 HD3 LYS 25 HD3 LYS 25 81.479 -17.906 -3.306 194 HE2 LYS 25 HE2 LYS 25 80.421 -15.787 -5.194 195 HE3 LYS 25 HE3 LYS 25 79.854 -17.447 -5.023 196 HZ1 LYS 25 HZ1 LYS 25 78.845 -16.994 -3.028 197 HZ2 LYS 25 HZ2 LYS 25 78.601 -15.527 -3.850 198 HZ3 LYS 25 HZ3 LYS 25 79.834 -15.659 -2.689 199 H HIS 26 H HIS 26 83.128 -13.959 1.131 200 HA HIS 26 HA HIS 26 84.334 -11.858 -0.282 201 HB2 HIS 26 HB2 HIS 26 86.205 -12.269 1.538 202 HB3 HIS 26 HB1 HIS 26 84.618 -11.659 2.007 203 HD1 HIS 26 HD1 HIS 26 85.239 -15.258 1.056 204 HD2 HIS 26 HD2 HIS 26 84.506 -13.003 4.484 205 HE1 HIS 26 HE1 HIS 26 84.811 -16.914 2.925 206 HE2 HIS 26 HE2 HIS 26 84.362 -15.553 5.021 207 H LYS 27 H LYS 27 86.089 -11.698 -1.571 208 HA LYS 27 HA LYS 27 87.821 -14.046 -1.953 209 HB2 LYS 27 HB2 LYS 27 86.296 -12.608 -4.132 210 HB3 LYS 27 HB3 LYS 27 87.675 -13.661 -4.446 211 HG2 LYS 27 HG2 LYS 27 86.460 -15.482 -3.182 212 HG3 LYS 27 HG3 LYS 27 85.049 -14.426 -3.148 213 HD2 LYS 27 HD2 LYS 27 86.469 -15.261 -5.692 214 HD3 LYS 27 HD3 LYS 27 85.040 -16.074 -5.053 215 HE2 LYS 27 HE2 LYS 27 83.944 -13.729 -5.055 216 HE3 LYS 27 HE3 LYS 27 85.278 -13.257 -6.108 217 HZ1 LYS 27 HZ1 LYS 27 82.988 -14.908 -6.671 218 HZ2 LYS 27 HZ2 LYS 27 84.457 -15.576 -7.204 219 HZ3 LYS 27 HZ3 LYS 27 83.981 -14.032 -7.730 220 H THR 28 H THR 28 89.906 -13.481 -2.041 221 HA THR 28 HA THR 28 91.758 -12.110 -1.892 222 HB THR 28 HB THR 28 90.552 -10.577 -4.184 223 HG1 THR 28 HG1 THR 28 91.007 -12.267 -5.509 224 HG21 THR 28 HG21 THR 28 92.774 -10.257 -4.847 225 HG22 THR 28 HG22 THR 28 93.342 -11.670 -3.960 226 HG23 THR 28 HG23 THR 28 92.905 -10.202 -3.089 227 H GLY 29 H GLY 29 89.328 -11.290 -0.400 228 HA2 GLY 29 HA2 GLY 29 90.152 -9.031 0.869 229 HA3 GLY 29 HA3 GLY 29 89.227 -8.407 -0.493 230 HA PRO 30 HA PRO 30 86.441 -9.932 3.074 231 HB2 PRO 30 HB2 PRO 30 86.038 -7.628 4.473 232 HB3 PRO 30 HB1 PRO 30 87.370 -8.745 4.828 233 HG2 PRO 30 HG2 PRO 30 87.406 -6.187 3.297 234 HG3 PRO 30 HG1 PRO 30 88.583 -6.823 4.460 235 HD2 PRO 30 HD2 PRO 30 88.936 -6.971 1.739 236 HD3 PRO 30 HD1 PRO 30 89.635 -8.141 2.882 237 H ASN 31 H ASN 31 84.167 -9.226 3.449 238 HA ASN 31 HA ASN 31 83.046 -8.087 1.008 239 HB2 ASN 31 HB2 ASN 31 80.967 -8.956 1.748 240 HB3 ASN 31 HB1 ASN 31 82.160 -10.168 2.211 241 HD21 ASN 31 HD21 ASN 31 82.313 -10.689 4.425 242 HD22 ASN 31 HD22 ASN 31 81.484 -9.859 5.651 243 H LEU 32 H LEU 32 81.303 -6.446 1.175 244 HA LEU 32 HA LEU 32 81.855 -4.505 3.345 245 HB2 LEU 32 HB2 LEU 32 80.848 -3.825 0.577 246 HB3 LEU 32 HB3 LEU 32 81.412 -2.712 1.817 247 HG LEU 32 HG LEU 32 83.056 -4.682 0.209 248 HD11 LEU 32 HD11 LEU 32 84.361 -2.486 -0.165 249 HD12 LEU 32 HD12 LEU 32 82.948 -1.674 0.505 250 HD13 LEU 32 HD13 LEU 32 82.799 -2.633 -0.965 251 HD21 LEU 32 HD21 LEU 32 84.142 -4.927 2.247 252 HD22 LEU 32 HD22 LEU 32 83.632 -3.350 2.834 253 HD23 LEU 32 HD23 LEU 32 84.938 -3.473 1.663 254 H HIS 33 H HIS 33 79.936 -6.591 3.592 255 HA HIS 33 HA HIS 33 77.308 -5.724 2.937 256 HB2 HIS 33 HB2 HIS 33 78.209 -7.575 5.160 257 HB3 HIS 33 HB1 HIS 33 76.566 -7.431 4.534 258 HD1 HIS 33 HD1 HIS 33 77.668 -10.167 4.253 259 HD2 HIS 33 HD2 HIS 33 78.438 -7.233 1.392 260 HE1 HIS 33 HE1 HIS 33 78.293 -11.389 2.125 261 HE2 HIS 33 HE2 HIS 33 78.764 -9.615 0.371 262 H GLY 34 H GLY 34 75.788 -4.597 4.140 263 HA2 GLY 34 HA2 GLY 34 75.233 -2.752 5.465 264 HA3 GLY 34 HA3 GLY 34 75.625 -3.906 6.739 265 H LEU 35 H LEU 35 77.996 -2.762 4.475 266 HA LEU 35 HA LEU 35 79.998 -2.142 6.214 267 HB2 LEU 35 HB2 LEU 35 80.327 -2.204 3.812 268 HB3 LEU 35 HB3 LEU 35 79.295 -0.793 3.600 269 HG LEU 35 HG LEU 35 81.045 0.309 5.284 270 HD11 LEU 35 HD11 LEU 35 82.857 -1.579 3.806 271 HD12 LEU 35 HD12 LEU 35 82.210 -2.019 5.385 272 HD13 LEU 35 HD13 LEU 35 83.217 -0.582 5.210 273 HD21 LEU 35 HD21 LEU 35 81.763 -0.174 2.382 274 HD22 LEU 35 HD22 LEU 35 82.220 1.212 3.372 275 HD23 LEU 35 HD23 LEU 35 80.535 0.975 2.911 276 H PHE 36 H PHE 36 77.774 0.261 4.824 277 HA PHE 36 HA PHE 36 78.647 2.455 6.295 278 HB2 PHE 36 HB2 PHE 36 75.794 2.000 5.404 279 HB3 PHE 36 HB1 PHE 36 76.618 3.543 5.632 280 HD1 PHE 36 HD2 PHE 36 76.558 0.445 3.560 281 HD2 PHE 36 HD1 PHE 36 77.998 4.481 3.911 282 HE1 PHE 36 HE2 PHE 36 77.375 0.361 1.223 283 HE2 PHE 36 HE1 PHE 36 78.805 4.395 1.577 284 HZ PHE 36 HZ PHE 36 78.496 2.336 0.228 285 H GLY 37 H GLY 37 79.005 1.943 8.472 286 HA2 GLY 37 HA2 GLY 37 77.490 2.681 10.452 287 HA3 GLY 37 HA3 GLY 37 76.651 1.187 10.077 288 H ARG 38 H ARG 38 79.219 -0.197 9.388 289 HA ARG 38 HA ARG 38 79.881 -0.960 12.127 290 HB2 ARG 38 HB2 ARG 38 80.144 -2.166 9.448 291 HB3 ARG 38 HB3 ARG 38 81.481 -2.510 10.543 292 HG2 ARG 38 HG2 ARG 38 79.737 -3.179 12.276 293 HG3 ARG 38 HG3 ARG 38 78.544 -3.096 10.980 294 HD2 ARG 38 HD2 ARG 38 81.059 -4.711 10.620 295 HD3 ARG 38 HD3 ARG 38 79.693 -5.387 11.500 296 HE ARG 38 HE ARG 38 78.470 -4.582 9.272 297 HH11 ARG 38 HH21 ARG 38 81.510 -6.203 9.723 298 HH12 ARG 38 HH22 ARG 38 81.443 -7.024 8.199 299 HH21 ARG 38 HH11 ARG 38 78.386 -5.676 7.292 300 HH22 ARG 38 HH12 ARG 38 79.679 -6.735 6.833 301 H LYS 39 H LYS 39 81.913 -0.899 13.062 302 HA LYS 39 HA LYS 39 83.569 1.304 12.356 303 HB2 LYS 39 HB2 LYS 39 83.550 -0.789 14.455 304 HB3 LYS 39 HB3 LYS 39 85.114 -0.061 14.102 305 HG2 LYS 39 HG2 LYS 39 82.703 1.698 14.499 306 HG3 LYS 39 HG3 LYS 39 83.553 1.049 15.899 307 HD2 LYS 39 HD2 LYS 39 85.690 1.992 14.958 308 HD3 LYS 39 HD3 LYS 39 84.734 2.771 13.699 309 HE2 LYS 39 HE2 LYS 39 84.844 4.476 15.277 310 HE3 LYS 39 HE3 LYS 39 83.342 3.685 15.756 311 HZ1 LYS 39 HZ1 LYS 39 84.759 2.302 17.284 312 HZ2 LYS 39 HZ2 LYS 39 84.602 3.940 17.705 313 HZ3 LYS 39 HZ3 LYS 39 86.027 3.382 16.967 314 H THR 40 H THR 40 86.011 1.025 12.132 315 HA THR 40 HA THR 40 86.552 -0.399 9.749 316 HB THR 40 HB THR 40 88.978 0.191 10.345 317 HG1 THR 40 HG1 THR 40 87.757 1.852 12.252 318 HG21 THR 40 HG21 THR 40 87.947 1.634 8.817 319 HG22 THR 40 HG22 THR 40 88.371 2.727 10.133 320 HG23 THR 40 HG23 THR 40 86.716 2.138 9.975 321 H GLY 41 H GLY 41 87.746 -2.229 9.337 322 HA2 GLY 41 HA2 GLY 41 88.346 -4.419 9.688 323 HA3 GLY 41 HA3 GLY 41 89.236 -3.776 11.068 324 H GLN 42 H GLN 42 85.770 -4.143 10.338 325 HA GLN 42 HA GLN 42 85.409 -5.375 12.999 326 HB2 GLN 42 HB2 GLN 42 83.712 -3.700 11.223 327 HB3 GLN 42 HB1 GLN 42 82.882 -4.946 12.151 328 HG2 GLN 42 HG2 GLN 42 84.805 -2.958 13.381 329 HG3 GLN 42 HG1 GLN 42 83.061 -2.710 13.314 330 HE21 GLN 42 HE21 GLN 42 81.925 -5.057 14.028 331 HE22 GLN 42 HE22 GLN 42 82.492 -5.603 15.533 332 H ALA 43 H ALA 43 85.373 -6.042 9.632 333 HA ALA 43 HA ALA 43 83.660 -8.360 9.812 334 HB1 ALA 43 HB1 ALA 43 85.161 -6.931 7.691 335 HB2 ALA 43 HB2 ALA 43 83.515 -7.561 7.678 336 HB3 ALA 43 HB3 ALA 43 84.878 -8.653 7.427 337 HA PRO 44 HA PRO 44 87.173 -10.831 11.173 338 HB2 PRO 44 HB2 PRO 44 85.837 -13.134 11.664 339 HB3 PRO 44 HB1 PRO 44 85.691 -11.717 12.723 340 HG2 PRO 44 HG2 PRO 44 83.831 -12.694 10.607 341 HG3 PRO 44 HG1 PRO 44 83.467 -12.040 12.214 342 HD2 PRO 44 HD2 PRO 44 83.299 -10.567 9.885 343 HD3 PRO 44 HD1 PRO 44 83.577 -9.854 11.490 344 H GLY 45 H GLY 45 85.183 -11.330 8.429 345 HA2 GLY 45 HA2 GLY 45 85.870 -13.714 7.312 346 HA3 GLY 45 HA3 GLY 45 85.700 -12.241 6.365 347 H PHE 46 H PHE 46 87.621 -10.869 6.131 348 HA PHE 46 HA PHE 46 89.989 -12.503 5.683 349 HB2 PHE 46 HB2 PHE 46 89.055 -10.786 4.040 350 HB3 PHE 46 HB1 PHE 46 89.690 -9.553 5.129 351 HD1 PHE 46 HD1 PHE 46 90.556 -12.280 2.811 352 HD2 PHE 46 HD2 PHE 46 92.093 -9.257 5.446 353 HE1 PHE 46 HE1 PHE 46 92.816 -12.574 1.831 354 HE2 PHE 46 HE2 PHE 46 94.352 -9.551 4.467 355 HZ PHE 46 HZ PHE 46 94.713 -11.210 2.660 356 H THR 47 H THR 47 92.097 -11.906 6.423 357 HA THR 47 HA THR 47 92.163 -11.160 9.184 358 HB THR 47 HB THR 47 94.550 -11.321 7.347 359 HG1 THR 47 HG1 THR 47 93.937 -13.588 8.690 360 HG21 THR 47 HG21 THR 47 94.738 -10.533 9.759 361 HG22 THR 47 HG22 THR 47 95.728 -11.930 9.339 362 HG23 THR 47 HG23 THR 47 94.226 -12.151 10.237 363 H TYR 48 H TYR 48 91.228 -9.055 9.148 364 HA TYR 48 HA TYR 48 92.144 -6.867 7.663 365 HB2 TYR 48 HB2 TYR 48 90.674 -7.202 10.244 366 HB3 TYR 48 HB3 TYR 48 91.272 -5.598 9.824 367 HD1 TYR 48 HD2 TYR 48 89.025 -8.346 8.808 368 HD2 TYR 48 HD1 TYR 48 90.381 -4.366 7.963 369 HE1 TYR 48 HE2 TYR 48 87.117 -8.028 7.257 370 HE2 TYR 48 HE1 TYR 48 88.479 -4.041 6.419 371 HH TYR 48 HH TYR 48 86.268 -4.941 6.025 372 H THR 49 H THR 49 93.467 -5.086 8.259 373 HA THR 49 HA THR 49 95.907 -5.883 9.583 374 HB THR 49 HB THR 49 96.670 -3.605 8.981 375 HG1 THR 49 HG1 THR 49 94.197 -3.243 7.700 376 HG21 THR 49 HG21 THR 49 96.115 -3.865 6.440 377 HG22 THR 49 HG22 THR 49 95.331 -5.363 6.940 378 HG23 THR 49 HG23 THR 49 97.053 -5.124 7.242 379 H ASP 50 H ASP 50 96.907 -4.259 11.176 380 HA ASP 50 HA ASP 50 95.235 -4.145 13.484 381 HB2 ASP 50 HB2 ASP 50 97.814 -2.624 13.199 382 HB3 ASP 50 HB1 ASP 50 97.130 -3.382 14.636 383 H ALA 51 H ALA 51 96.294 -1.784 11.092 384 HA ALA 51 HA ALA 51 95.445 0.553 12.419 385 HB1 ALA 51 HB1 ALA 51 95.699 1.651 10.350 386 HB2 ALA 51 HB2 ALA 51 95.343 0.188 9.431 387 HB3 ALA 51 HB3 ALA 51 96.874 0.336 10.297 388 H ASN 52 H ASN 52 93.721 -1.745 10.365 389 HA ASN 52 HA ASN 52 91.294 -0.162 10.345 390 HB2 ASN 52 HB2 ASN 52 92.232 -2.704 9.146 391 HB3 ASN 52 HB1 ASN 52 90.510 -2.630 9.506 392 HD21 ASN 52 HD21 ASN 52 90.122 -2.592 7.128 393 HD22 ASN 52 HD22 ASN 52 90.333 -1.141 6.268 394 H LYS 53 H LYS 53 92.697 -2.722 12.230 395 HA LYS 53 HA LYS 53 90.219 -3.399 13.575 396 HB2 LYS 53 HB2 LYS 53 91.511 -5.292 13.549 397 HB3 LYS 53 HB3 LYS 53 93.019 -4.387 13.531 398 HG2 LYS 53 HG2 LYS 53 92.881 -3.958 15.898 399 HG3 LYS 53 HG3 LYS 53 91.241 -4.605 15.972 400 HD2 LYS 53 HD2 LYS 53 93.422 -6.373 14.921 401 HD3 LYS 53 HD3 LYS 53 93.327 -6.104 16.661 402 HE2 LYS 53 HE2 LYS 53 91.056 -7.102 14.916 403 HE3 LYS 53 HE3 LYS 53 92.025 -8.096 16.002 404 HZ1 LYS 53 HZ1 LYS 53 89.852 -6.322 16.601 405 HZ2 LYS 53 HZ2 LYS 53 91.214 -6.045 17.579 406 HZ3 LYS 53 HZ3 LYS 53 90.501 -7.586 17.525 407 H ASN 54 H ASN 54 92.618 -1.031 13.793 408 HA ASN 54 HA ASN 54 92.742 -0.610 16.593 409 HB2 ASN 54 HB2 ASN 54 93.959 1.264 16.074 410 HB3 ASN 54 HB1 ASN 54 94.134 0.381 14.564 411 HD21 ASN 54 HD21 ASN 54 91.476 0.883 13.520 412 HD22 ASN 54 HD22 ASN 54 91.364 2.539 13.174 413 H LYS 55 H LYS 55 90.345 -0.014 14.255 414 HA LYS 55 HA LYS 55 88.245 0.928 14.360 415 HB2 LYS 55 HB2 LYS 55 88.486 1.145 17.345 416 HB3 LYS 55 HB3 LYS 55 87.075 0.746 16.366 417 HG2 LYS 55 HG2 LYS 55 88.468 -1.362 15.674 418 HG3 LYS 55 HG3 LYS 55 89.406 -0.999 17.121 419 HD2 LYS 55 HD2 LYS 55 87.791 -2.392 18.030 420 HD3 LYS 55 HD3 LYS 55 87.005 -0.828 18.241 421 HE2 LYS 55 HE2 LYS 55 85.822 -1.174 16.068 422 HE3 LYS 55 HE3 LYS 55 86.545 -2.779 15.965 423 HZ1 LYS 55 HZ1 LYS 55 85.493 -2.734 18.457 424 HZ2 LYS 55 HZ2 LYS 55 84.763 -3.441 17.096 425 HZ3 LYS 55 HZ3 LYS 55 84.343 -1.863 17.565 426 H GLY 56 H GLY 56 89.748 2.768 13.486 427 HA2 GLY 56 HA2 GLY 56 90.021 5.038 15.279 428 HA3 GLY 56 HA3 GLY 56 90.495 4.980 13.585 429 H ILE 57 H ILE 57 88.126 4.214 12.381 430 HA ILE 57 HA ILE 57 86.094 6.162 13.219 431 HB ILE 57 HB ILE 57 85.961 7.183 11.033 432 HG12 ILE 57 HG12 ILE 57 87.911 6.546 9.400 433 HG13 ILE 57 HG13 ILE 57 87.984 5.053 10.332 434 HG21 ILE 57 HG21 ILE 57 88.027 8.406 11.043 435 HG22 ILE 57 HG22 ILE 57 88.885 7.066 11.804 436 HG23 ILE 57 HG23 ILE 57 87.683 7.976 12.719 437 HD11 ILE 57 HD11 ILE 57 86.091 4.247 9.384 438 HD12 ILE 57 HD12 ILE 57 86.312 5.510 8.179 439 HD13 ILE 57 HD13 ILE 57 85.243 5.782 9.549 440 H THR 58 H THR 58 84.109 5.937 11.744 441 HA THR 58 HA THR 58 83.663 3.056 11.269 442 HB THR 58 HB THR 58 81.766 5.272 12.048 443 HG1 THR 58 HG1 THR 58 81.909 4.377 13.939 444 HG21 THR 58 HG21 THR 58 80.090 3.325 12.096 445 HG22 THR 58 HG22 THR 58 81.241 2.463 11.078 446 HG23 THR 58 HG23 THR 58 80.517 3.966 10.510 447 H TRP 59 H TRP 59 82.821 2.327 9.374 448 HA TRP 59 HA TRP 59 83.185 3.878 7.037 449 HB2 TRP 59 HB2 TRP 59 81.357 1.487 7.187 450 HB3 TRP 59 HB1 TRP 59 82.338 2.041 5.830 451 HD1 TRP 59 HD1 TRP 59 85.111 2.386 7.212 452 HE1 TRP 59 HE1 TRP 59 86.427 0.315 8.021 453 HE3 TRP 59 HE3 TRP 59 81.310 -0.993 7.630 454 HZ2 TRP 59 HZ2 TRP 59 85.920 -2.394 8.782 455 HZ3 TRP 59 HZ3 TRP 59 81.754 -3.306 8.388 456 HH2 TRP 59 HH2 TRP 59 84.055 -4.010 8.964 457 H LYS 60 H LYS 60 81.835 5.155 5.910 458 HA LYS 60 HA LYS 60 78.964 5.111 6.364 459 HB2 LYS 60 HB2 LYS 60 80.654 7.527 7.064 460 HB3 LYS 60 HB3 LYS 60 78.899 7.552 6.906 461 HG2 LYS 60 HG2 LYS 60 78.864 5.657 8.630 462 HG3 LYS 60 HG3 LYS 60 80.556 6.045 8.933 463 HD2 LYS 60 HD2 LYS 60 78.382 8.144 9.045 464 HD3 LYS 60 HD3 LYS 60 78.844 7.191 10.455 465 HE2 LYS 60 HE2 LYS 60 81.217 7.943 10.104 466 HE3 LYS 60 HE3 LYS 60 80.636 9.019 8.834 467 HZ1 LYS 60 HZ1 LYS 60 79.042 9.875 10.605 468 HZ2 LYS 60 HZ2 LYS 60 80.672 10.333 10.734 469 HZ3 LYS 60 HZ3 LYS 60 80.052 9.102 11.727 470 H GLU 61 H GLU 61 78.430 7.619 5.154 471 HA GLU 61 HA GLU 61 78.914 6.922 2.404 472 HB2 GLU 61 HB2 GLU 61 76.786 7.931 3.079 473 HB3 GLU 61 HB3 GLU 61 77.631 9.378 3.625 474 HG2 GLU 61 HG2 GLU 61 78.310 9.939 1.406 475 HG3 GLU 61 HG3 GLU 61 77.845 8.354 0.789 476 H GLU 62 H GLU 62 79.675 9.842 4.324 477 HA GLU 62 HA GLU 62 81.450 10.910 2.377 478 HB2 GLU 62 HB2 GLU 62 81.459 11.542 5.331 479 HB3 GLU 62 HB3 GLU 62 81.965 12.583 3.999 480 HG2 GLU 62 HG2 GLU 62 79.561 12.389 3.133 481 HG3 GLU 62 HG3 GLU 62 79.163 11.701 4.706 482 H THR 63 H THR 63 81.997 9.131 5.409 483 HA THR 63 HA THR 63 84.760 9.205 5.519 484 HB THR 63 HB THR 63 84.612 7.029 6.694 485 HG1 THR 63 HG1 THR 63 82.007 7.148 5.618 486 HG21 THR 63 HG21 THR 63 84.098 9.053 7.931 487 HG22 THR 63 HG22 THR 63 82.992 7.773 8.433 488 HG23 THR 63 HG23 THR 63 82.440 9.035 7.330 489 H LEU 64 H LEU 64 82.649 7.169 3.567 490 HA LEU 64 HA LEU 64 84.720 5.525 2.506 491 HB2 LEU 64 HB2 LEU 64 81.847 5.890 2.094 492 HB3 LEU 64 HB3 LEU 64 82.706 5.526 0.604 493 HG LEU 64 HG LEU 64 83.012 3.906 3.145 494 HD11 LEU 64 HD11 LEU 64 80.900 3.215 2.651 495 HD12 LEU 64 HD12 LEU 64 81.689 2.290 1.374 496 HD13 LEU 64 HD13 LEU 64 80.963 3.854 1.010 497 HD21 LEU 64 HD21 LEU 64 83.729 2.249 1.161 498 HD22 LEU 64 HD22 LEU 64 84.884 3.362 1.890 499 HD23 LEU 64 HD23 LEU 64 84.112 3.772 0.359 500 H MET 65 H MET 65 83.304 8.615 1.579 501 HA MET 65 HA MET 65 84.337 8.764 -1.040 502 HB2 MET 65 HB2 MET 65 83.736 10.986 0.919 503 HB3 MET 65 HB1 MET 65 84.056 11.217 -0.798 504 HG2 MET 65 HG2 MET 65 82.118 9.937 -1.415 505 HG3 MET 65 HG1 MET 65 81.870 9.413 0.247 506 HE1 MET 65 HE1 MET 65 81.820 12.308 -2.288 507 HE2 MET 65 HE2 MET 65 80.271 13.012 -1.832 508 HE3 MET 65 HE3 MET 65 80.361 11.308 -2.272 509 H GLU 66 H GLU 66 85.653 10.254 1.940 510 HA GLU 66 HA GLU 66 88.056 11.129 0.746 511 HB2 GLU 66 HB2 GLU 66 87.474 10.412 3.632 512 HB3 GLU 66 HB3 GLU 66 88.915 11.262 3.077 513 HG2 GLU 66 HG2 GLU 66 87.135 12.872 1.943 514 HG3 GLU 66 HG3 GLU 66 86.076 12.219 3.192 515 H TYR 67 H TYR 67 87.025 8.076 2.042 516 HA TYR 67 HA TYR 67 89.659 6.895 2.122 517 HB2 TYR 67 HB2 TYR 67 88.068 6.002 3.650 518 HB3 TYR 67 HB3 TYR 67 86.856 5.819 2.388 519 HD1 TYR 67 HD2 TYR 67 87.043 4.033 0.696 520 HD2 TYR 67 HD1 TYR 67 89.853 4.383 3.926 521 HE1 TYR 67 HE2 TYR 67 87.833 1.723 0.259 522 HE2 TYR 67 HE1 TYR 67 90.641 2.072 3.490 523 HH TYR 67 HH TYR 67 90.435 0.508 0.955 524 H LEU 68 H LEU 68 87.094 7.281 -0.182 525 HA LEU 68 HA LEU 68 88.008 5.214 -1.974 526 HB2 LEU 68 HB2 LEU 68 85.825 7.240 -1.937 527 HB3 LEU 68 HB3 LEU 68 86.341 6.655 -3.511 528 HG LEU 68 HG LEU 68 85.516 4.874 -1.200 529 HD11 LEU 68 HD11 LEU 68 83.553 4.417 -2.800 530 HD12 LEU 68 HD12 LEU 68 84.036 5.902 -3.622 531 HD13 LEU 68 HD13 LEU 68 83.546 5.947 -1.931 532 HD21 LEU 68 HD21 LEU 68 85.278 3.385 -3.451 533 HD22 LEU 68 HD22 LEU 68 86.729 3.406 -2.454 534 HD23 LEU 68 HD23 LEU 68 86.642 4.401 -3.904 535 H GLU 69 H GLU 69 88.927 8.440 -1.345 536 HA GLU 69 HA GLU 69 90.105 8.755 -4.031 537 HB2 GLU 69 HB2 GLU 69 90.071 11.034 -3.708 538 HB3 GLU 69 HB3 GLU 69 88.707 10.575 -2.694 539 HG2 GLU 69 HG2 GLU 69 90.444 10.387 -0.785 540 HG3 GLU 69 HG3 GLU 69 91.509 11.303 -1.849 541 H ASN 70 H ASN 70 90.867 7.684 -0.967 542 HA ASN 70 HA ASN 70 93.622 7.324 -1.568 543 HB2 ASN 70 HB2 ASN 70 93.290 9.856 -0.851 544 HB3 ASN 70 HB1 ASN 70 93.302 9.168 0.769 545 HD21 ASN 70 HD21 ASN 70 95.195 7.067 0.398 546 HD22 ASN 70 HD22 ASN 70 96.705 7.755 0.041 547 HA PRO 71 HA PRO 71 91.277 4.557 1.485 548 HB2 PRO 71 HB2 PRO 71 93.004 2.680 -0.081 549 HB3 PRO 71 HB1 PRO 71 91.329 2.481 0.466 550 HG2 PRO 71 HG2 PRO 71 91.925 3.064 -2.073 551 HG3 PRO 71 HG1 PRO 71 90.471 3.694 -1.280 552 HD2 PRO 71 HD2 PRO 71 92.970 5.122 -2.029 553 HD3 PRO 71 HD1 PRO 71 91.323 5.757 -1.822 554 H LYS 72 H LYS 72 94.677 4.673 0.478 555 HA LYS 72 HA LYS 72 95.665 3.337 2.815 556 HB2 LYS 72 HB2 LYS 72 96.844 3.356 0.627 557 HB3 LYS 72 HB3 LYS 72 97.158 5.075 0.844 558 HG2 LYS 72 HG2 LYS 72 98.988 4.577 2.067 559 HG3 LYS 72 HG3 LYS 72 97.960 3.787 3.259 560 HD2 LYS 72 HD2 LYS 72 98.897 2.395 0.738 561 HD3 LYS 72 HD3 LYS 72 99.800 2.338 2.251 562 HE2 LYS 72 HE2 LYS 72 96.918 1.455 1.908 563 HE3 LYS 72 HE3 LYS 72 98.308 0.376 2.015 564 HZ1 LYS 72 HZ1 LYS 72 97.211 2.165 4.098 565 HZ2 LYS 72 HZ2 LYS 72 98.789 1.542 4.197 566 HZ3 LYS 72 HZ3 LYS 72 97.457 0.488 4.171 567 H LYS 73 H LYS 73 95.653 6.747 1.766 568 HA LYS 73 HA LYS 73 97.009 7.743 4.020 569 HB2 LYS 73 HB2 LYS 73 96.706 8.985 1.886 570 HB3 LYS 73 HB3 LYS 73 95.009 9.221 2.306 571 HG2 LYS 73 HG2 LYS 73 95.661 10.401 4.360 572 HG3 LYS 73 HG3 LYS 73 97.364 10.130 3.987 573 HD2 LYS 73 HD2 LYS 73 97.052 12.290 3.156 574 HD3 LYS 73 HD3 LYS 73 96.767 11.317 1.714 575 HE2 LYS 73 HE2 LYS 73 94.351 11.431 2.069 576 HE3 LYS 73 HE3 LYS 73 94.590 12.306 3.582 577 HZ1 LYS 73 HZ1 LYS 73 95.881 13.949 2.113 578 HZ2 LYS 73 HZ2 LYS 73 94.183 13.979 2.067 579 HZ3 LYS 73 HZ3 LYS 73 95.056 13.224 0.821 580 H TYR 74 H TYR 74 93.601 7.035 3.488 581 HA TYR 74 HA TYR 74 92.585 8.519 5.673 582 HB2 TYR 74 HB2 TYR 74 91.420 7.169 3.657 583 HB3 TYR 74 HB3 TYR 74 91.233 5.971 4.937 584 HD1 TYR 74 HD1 TYR 74 90.931 9.699 4.531 585 HD2 TYR 74 HD2 TYR 74 89.266 6.102 6.188 586 HE1 TYR 74 HE1 TYR 74 89.043 11.003 5.470 587 HE2 TYR 74 HE2 TYR 74 87.380 7.407 7.126 588 HH TYR 74 HH TYR 74 87.402 10.698 7.448 589 H ILE 75 H ILE 75 93.220 5.013 5.426 590 HA ILE 75 HA ILE 75 93.793 4.995 8.329 591 HB ILE 75 HB ILE 75 92.344 2.795 6.840 592 HG12 ILE 75 HG12 ILE 75 91.136 4.717 8.841 593 HG13 ILE 75 HG13 ILE 75 91.085 5.028 7.107 594 HG21 ILE 75 HG21 ILE 75 93.614 2.062 8.814 595 HG22 ILE 75 HG22 ILE 75 91.884 1.997 9.149 596 HG23 ILE 75 HG23 ILE 75 92.856 3.323 9.787 597 HD11 ILE 75 HD11 ILE 75 89.049 3.836 8.032 598 HD12 ILE 75 HD12 ILE 75 90.096 2.453 8.350 599 HD13 ILE 75 HD13 ILE 75 89.850 3.009 6.695 600 HA PRO 76 HA PRO 76 97.421 3.582 5.657 601 HB2 PRO 76 HB2 PRO 76 98.526 4.281 8.364 602 HB3 PRO 76 HB1 PRO 76 99.237 4.545 6.758 603 HG2 PRO 76 HG2 PRO 76 98.050 6.525 8.097 604 HG3 PRO 76 HG1 PRO 76 97.934 6.391 6.334 605 HD2 PRO 76 HD2 PRO 76 95.840 5.923 8.381 606 HD3 PRO 76 HD1 PRO 76 95.661 6.316 6.658 607 H GLY 77 H GLY 77 98.801 1.712 6.001 608 HA2 GLY 77 HA2 GLY 77 99.424 -0.312 6.993 609 HA3 GLY 77 HA3 GLY 77 98.299 0.012 8.310 610 H THR 78 H THR 78 96.103 0.617 6.409 611 HA THR 78 HA THR 78 94.847 -1.871 6.307 612 HB THR 78 HB THR 78 93.691 0.327 6.106 613 HG1 THR 78 HG1 THR 78 93.239 -1.929 4.736 614 HG21 THR 78 HG21 THR 78 93.725 1.536 4.045 615 HG22 THR 78 HG22 THR 78 94.605 0.244 3.229 616 HG23 THR 78 HG23 THR 78 95.408 1.216 4.462 617 H LYS 79 H LYS 79 94.589 -3.428 4.704 618 HA LYS 79 HA LYS 79 96.716 -3.434 2.689 619 HB2 LYS 79 HB2 LYS 79 95.824 -5.409 4.318 620 HB3 LYS 79 HB3 LYS 79 94.872 -5.748 2.876 621 HG2 LYS 79 HG2 LYS 79 96.838 -6.969 2.486 622 HG3 LYS 79 HG3 LYS 79 97.129 -5.474 1.599 623 HD2 LYS 79 HD2 LYS 79 99.100 -5.509 2.781 624 HD3 LYS 79 HD3 LYS 79 98.103 -4.740 4.016 625 HE2 LYS 79 HE2 LYS 79 99.086 -6.488 5.217 626 HE3 LYS 79 HE3 LYS 79 97.555 -7.211 4.723 627 HZ1 LYS 79 HZ1 LYS 79 100.254 -7.659 3.630 628 HZ2 LYS 79 HZ2 LYS 79 98.886 -7.945 2.664 629 HZ3 LYS 79 HZ3 LYS 79 99.096 -8.798 4.119 630 H MET 80 H MET 80 95.981 -1.987 1.152 631 HA MET 80 HA MET 80 94.358 -3.025 -0.904 632 HB2 MET 80 HB2 MET 80 92.440 -2.582 0.482 633 HB3 MET 80 HB1 MET 80 93.029 -0.965 0.874 634 HG2 MET 80 HG2 MET 80 92.672 -0.182 -1.349 635 HG3 MET 80 HG1 MET 80 92.466 -1.818 -1.973 636 HE1 MET 80 HE1 MET 80 90.805 1.057 -1.924 637 HE2 MET 80 HE2 MET 80 89.119 0.554 -1.954 638 HE3 MET 80 HE3 MET 80 90.273 -0.190 -3.058 639 H ILE 81 H ILE 81 96.012 -2.349 -2.215 640 HA ILE 81 HA ILE 81 96.478 0.570 -2.394 641 HB ILE 81 HB ILE 81 98.259 -1.779 -3.077 642 HG12 ILE 81 HG12 ILE 81 99.800 -0.518 -1.517 643 HG13 ILE 81 HG13 ILE 81 98.459 0.568 -1.161 644 HG21 ILE 81 HG21 ILE 81 98.465 1.145 -3.818 645 HG22 ILE 81 HG22 ILE 81 98.604 -0.260 -4.875 646 HG23 ILE 81 HG23 ILE 81 99.886 0.105 -3.722 647 HD11 ILE 81 HD11 ILE 81 97.821 -2.314 -0.910 648 HD12 ILE 81 HD12 ILE 81 97.396 -0.967 0.145 649 HD13 ILE 81 HD13 ILE 81 98.993 -1.701 0.256 650 H PHE 82 H PHE 82 95.074 1.283 -3.904 651 HA PHE 82 HA PHE 82 95.372 0.233 -6.618 652 HB2 PHE 82 HB2 PHE 82 93.391 -0.891 -5.334 653 HB3 PHE 82 HB1 PHE 82 92.582 0.657 -5.580 654 HD1 PHE 82 HD2 PHE 82 94.182 -2.217 -7.300 655 HD2 PHE 82 HD1 PHE 82 91.800 1.330 -7.747 656 HE1 PHE 82 HE2 PHE 82 93.651 -2.869 -9.634 657 HE2 PHE 82 HE1 PHE 82 91.269 0.678 -10.080 658 HZ PHE 82 HZ PHE 82 92.194 -1.421 -11.023 659 H ALA 83 H ALA 83 94.102 1.652 -8.186 660 HA ALA 83 HA ALA 83 94.896 4.351 -7.812 661 HB1 ALA 83 HB1 ALA 83 93.068 3.062 -9.849 662 HB2 ALA 83 HB2 ALA 83 94.781 3.441 -10.042 663 HB3 ALA 83 HB3 ALA 83 93.597 4.744 -9.923 664 H GLY 84 H GLY 84 93.961 5.670 -6.383 665 HA2 GLY 84 HA2 GLY 84 91.377 5.385 -5.301 666 HA3 GLY 84 HA3 GLY 84 92.352 6.851 -5.238 667 H ILE 85 H ILE 85 89.822 7.419 -5.449 668 HA ILE 85 HA ILE 85 88.949 7.518 -8.229 669 HB ILE 85 HB ILE 85 87.730 8.551 -5.664 670 HG12 ILE 85 HG12 ILE 85 87.896 5.991 -6.353 671 HG13 ILE 85 HG13 ILE 85 86.405 6.638 -5.679 672 HG21 ILE 85 HG21 ILE 85 86.840 8.743 -8.537 673 HG22 ILE 85 HG22 ILE 85 86.887 10.011 -7.311 674 HG23 ILE 85 HG23 ILE 85 85.668 8.739 -7.222 675 HD11 ILE 85 HD11 ILE 85 86.265 5.204 -7.848 676 HD12 ILE 85 HD12 ILE 85 86.846 6.659 -8.655 677 HD13 ILE 85 HD13 ILE 85 85.328 6.695 -7.760 678 H LYS 86 H LYS 86 88.368 9.556 -9.265 679 HA LYS 86 HA LYS 86 90.326 11.657 -8.629 680 HB2 LYS 86 HB2 LYS 86 88.800 10.896 -11.106 681 HB3 LYS 86 HB3 LYS 86 89.539 12.491 -10.956 682 HG2 LYS 86 HG2 LYS 86 91.729 11.474 -10.556 683 HG3 LYS 86 HG3 LYS 86 91.013 9.862 -10.612 684 HD2 LYS 86 HD2 LYS 86 90.520 10.034 -12.923 685 HD3 LYS 86 HD3 LYS 86 90.743 11.783 -12.925 686 HE2 LYS 86 HE2 LYS 86 93.006 9.900 -12.251 687 HE3 LYS 86 HE3 LYS 86 92.654 10.369 -13.915 688 HZ1 LYS 86 HZ1 LYS 86 94.051 12.041 -13.385 689 HZ2 LYS 86 HZ2 LYS 86 93.723 11.959 -11.721 690 HZ3 LYS 86 HZ3 LYS 86 92.637 12.744 -12.765 691 H LYS 87 H LYS 87 87.065 11.765 -10.084 692 HA LYS 87 HA LYS 87 86.572 14.326 -8.817 693 HB2 LYS 87 HB2 LYS 87 84.912 12.602 -10.661 694 HB3 LYS 87 HB3 LYS 87 84.394 14.174 -10.053 695 HG2 LYS 87 HG2 LYS 87 86.303 15.266 -11.084 696 HG3 LYS 87 HG3 LYS 87 86.976 13.711 -11.574 697 HD2 LYS 87 HD2 LYS 87 84.194 14.376 -12.465 698 HD3 LYS 87 HD3 LYS 87 85.536 15.189 -13.268 699 HE2 LYS 87 HE2 LYS 87 85.508 12.194 -12.892 700 HE3 LYS 87 HE3 LYS 87 84.744 12.958 -14.285 701 HZ1 LYS 87 HZ1 LYS 87 86.725 13.614 -15.135 702 HZ2 LYS 87 HZ2 LYS 87 87.263 12.233 -14.304 703 HZ3 LYS 87 HZ3 LYS 87 87.468 13.773 -13.619 704 H LYS 88 H LYS 88 84.543 14.764 -7.668 705 HA LYS 88 HA LYS 88 84.221 12.996 -5.453 706 HB2 LYS 88 HB2 LYS 88 83.933 15.518 -5.425 707 HB3 LYS 88 HB3 LYS 88 82.376 15.263 -6.217 708 HG2 LYS 88 HG2 LYS 88 81.834 13.643 -4.308 709 HG3 LYS 88 HG3 LYS 88 83.252 14.294 -3.489 710 HD2 LYS 88 HD2 LYS 88 81.639 15.725 -2.647 711 HD3 LYS 88 HD3 LYS 88 82.100 16.624 -4.093 712 HE2 LYS 88 HE2 LYS 88 80.238 15.436 -5.321 713 HE3 LYS 88 HE3 LYS 88 79.722 14.775 -3.771 714 HZ1 LYS 88 HZ1 LYS 88 79.159 16.855 -2.974 715 HZ2 LYS 88 HZ2 LYS 88 78.666 16.944 -4.597 716 HZ3 LYS 88 HZ3 LYS 88 80.118 17.677 -4.106 717 H THR 89 H THR 89 82.065 13.911 -8.154 718 HA THR 89 HA THR 89 79.871 12.352 -7.474 719 HB THR 89 HB THR 89 79.379 12.281 -9.921 720 HG1 THR 89 HG1 THR 89 81.770 13.773 -10.159 721 HG21 THR 89 HG21 THR 89 80.253 14.898 -8.674 722 HG22 THR 89 HG22 THR 89 78.634 14.198 -8.672 723 HG23 THR 89 HG23 THR 89 79.334 14.799 -10.175 724 H GLU 90 H GLU 90 82.961 11.388 -8.768 725 HA GLU 90 HA GLU 90 82.176 8.812 -9.699 726 HB2 GLU 90 HB2 GLU 90 84.810 10.044 -8.913 727 HB3 GLU 90 HB3 GLU 90 84.696 8.326 -9.292 728 HG2 GLU 90 HG2 GLU 90 83.738 8.864 -11.491 729 HG3 GLU 90 HG3 GLU 90 83.826 10.584 -11.114 730 H ARG 91 H ARG 91 83.301 10.109 -6.625 731 HA ARG 91 HA ARG 91 83.388 7.561 -5.288 732 HB2 ARG 91 HB2 ARG 91 83.200 10.328 -4.067 733 HB3 ARG 91 HB3 ARG 91 83.753 8.855 -3.275 734 HG2 ARG 91 HG2 ARG 91 85.609 8.708 -4.930 735 HG3 ARG 91 HG3 ARG 91 85.094 10.258 -5.597 736 HD2 ARG 91 HD2 ARG 91 85.253 10.767 -2.872 737 HD3 ARG 91 HD3 ARG 91 86.623 9.699 -3.159 738 HE ARG 91 HE ARG 91 86.811 11.519 -5.182 739 HH11 ARG 91 HH21 ARG 91 86.474 11.712 -1.739 740 HH12 ARG 91 HH22 ARG 91 87.319 13.217 -1.606 741 HH21 ARG 91 HH11 ARG 91 87.918 13.492 -5.009 742 HH22 ARG 91 HH12 ARG 91 88.138 14.224 -3.454 743 H GLU 92 H GLU 92 81.164 10.355 -5.239 744 HA GLU 92 HA GLU 92 79.279 9.314 -3.456 745 HB2 GLU 92 HB2 GLU 92 79.403 11.676 -4.421 746 HB3 GLU 92 HB3 GLU 92 78.577 11.029 -5.839 747 HG2 GLU 92 HG2 GLU 92 76.732 10.235 -4.402 748 HG3 GLU 92 HG3 GLU 92 77.551 10.896 -2.988 749 H ASP 93 H ASP 93 79.244 9.217 -7.031 750 HA ASP 93 HA ASP 93 76.953 7.618 -7.303 751 HB2 ASP 93 HB2 ASP 93 79.401 7.785 -9.079 752 HB3 ASP 93 HB1 ASP 93 77.869 7.045 -9.539 753 H LEU 94 H LEU 94 80.389 6.704 -7.168 754 HA LEU 94 HA LEU 94 80.076 3.929 -7.383 755 HB2 LEU 94 HB2 LEU 94 82.272 4.988 -7.535 756 HB3 LEU 94 HB3 LEU 94 82.147 5.519 -5.860 757 HG LEU 94 HG LEU 94 82.124 3.219 -5.073 758 HD11 LEU 94 HD11 LEU 94 81.946 2.656 -8.020 759 HD12 LEU 94 HD12 LEU 94 81.015 1.958 -6.694 760 HD13 LEU 94 HD13 LEU 94 82.690 1.469 -6.947 761 HD21 LEU 94 HD21 LEU 94 84.304 4.443 -5.680 762 HD22 LEU 94 HD22 LEU 94 84.343 3.419 -7.115 763 HD23 LEU 94 HD23 LEU 94 84.395 2.691 -5.512 764 H ILE 95 H ILE 95 79.822 6.096 -4.636 765 HA ILE 95 HA ILE 95 79.646 3.989 -2.710 766 HB ILE 95 HB ILE 95 79.269 6.964 -2.612 767 HG12 ILE 95 HG12 ILE 95 81.057 5.351 -0.836 768 HG13 ILE 95 HG13 ILE 95 81.488 5.457 -2.536 769 HG21 ILE 95 HG21 ILE 95 77.653 6.434 -1.018 770 HG22 ILE 95 HG22 ILE 95 79.105 6.400 -0.020 771 HG23 ILE 95 HG23 ILE 95 78.409 4.893 -0.614 772 HD11 ILE 95 HD11 ILE 95 82.063 7.651 -2.390 773 HD12 ILE 95 HD12 ILE 95 82.232 7.298 -0.674 774 HD13 ILE 95 HD13 ILE 95 80.751 8.033 -1.280 775 H ALA 96 H ALA 96 77.423 5.792 -4.678 776 HA ALA 96 HA ALA 96 75.040 5.219 -3.252 777 HB1 ALA 96 HB1 ALA 96 75.318 5.567 -6.244 778 HB2 ALA 96 HB2 ALA 96 75.299 6.916 -5.107 779 HB3 ALA 96 HB3 ALA 96 73.888 5.869 -5.258 780 H TYR 97 H TYR 97 76.959 3.484 -5.622 781 HA TYR 97 HA TYR 97 75.043 1.360 -5.978 782 HB2 TYR 97 HB2 TYR 97 76.541 1.756 -7.805 783 HB3 TYR 97 HB3 TYR 97 77.951 1.659 -6.752 784 HD1 TYR 97 HD1 TYR 97 75.139 -0.315 -8.189 785 HD2 TYR 97 HD2 TYR 97 78.934 -0.441 -6.185 786 HE1 TYR 97 HE1 TYR 97 75.248 -2.763 -8.552 787 HE2 TYR 97 HE2 TYR 97 79.042 -2.891 -6.549 788 HH TYR 97 HH TYR 97 77.708 -4.736 -7.052 789 H LEU 98 H LEU 98 78.136 1.750 -4.239 790 HA LEU 98 HA LEU 98 78.347 -0.802 -3.162 791 HB2 LEU 98 HB2 LEU 98 79.235 1.909 -2.228 792 HB3 LEU 98 HB3 LEU 98 79.466 0.513 -1.183 793 HG LEU 98 HG LEU 98 80.344 0.356 -4.059 794 HD11 LEU 98 HD11 LEU 98 82.409 1.380 -3.659 795 HD12 LEU 98 HD12 LEU 98 82.221 1.297 -1.910 796 HD13 LEU 98 HD13 LEU 98 81.286 2.463 -2.844 797 HD21 LEU 98 HD21 LEU 98 81.559 -0.779 -1.535 798 HD22 LEU 98 HD22 LEU 98 81.849 -1.296 -3.195 799 HD23 LEU 98 HD23 LEU 98 80.290 -1.608 -2.431 800 H LYS 99 H LYS 99 76.135 1.753 -2.415 801 HA LYS 99 HA LYS 99 75.382 0.724 0.181 802 HB2 LYS 99 HB2 LYS 99 74.424 2.941 -1.600 803 HB3 LYS 99 HB3 LYS 99 73.405 2.399 -0.266 804 HG2 LYS 99 HG2 LYS 99 75.427 2.696 1.250 805 HG3 LYS 99 HG3 LYS 99 76.222 3.500 -0.103 806 HD2 LYS 99 HD2 LYS 99 73.529 4.351 0.997 807 HD3 LYS 99 HD3 LYS 99 75.058 5.060 1.517 808 HE2 LYS 99 HE2 LYS 99 75.504 5.503 -0.981 809 HE3 LYS 99 HE3 LYS 99 73.790 5.161 -1.221 810 HZ1 LYS 99 HZ1 LYS 99 75.002 7.514 -0.248 811 HZ2 LYS 99 HZ2 LYS 99 73.971 6.880 0.944 812 HZ3 LYS 99 HZ3 LYS 99 73.369 7.229 -0.606 813 H LYS 100 H LYS 100 73.818 0.887 -3.025 814 HA LYS 100 HA LYS 100 71.593 -0.731 -2.202 815 HB2 LYS 100 HB2 LYS 100 71.669 0.985 -4.115 816 HB3 LYS 100 HB3 LYS 100 72.459 -0.282 -5.054 817 HG2 LYS 100 HG2 LYS 100 70.515 -1.798 -4.444 818 HG3 LYS 100 HG3 LYS 100 69.709 -0.374 -3.789 819 HD2 LYS 100 HD2 LYS 100 70.776 -0.459 -6.618 820 HD3 LYS 100 HD3 LYS 100 69.142 -0.986 -6.215 821 HE2 LYS 100 HE2 LYS 100 68.808 1.280 -5.105 822 HE3 LYS 100 HE3 LYS 100 70.333 1.771 -5.844 823 HZ1 LYS 100 HZ1 LYS 100 67.829 0.953 -7.191 824 HZ2 LYS 100 HZ2 LYS 100 69.318 1.000 -8.006 825 HZ3 LYS 100 HZ3 LYS 100 68.668 2.419 -7.337 826 H ALA 101 H ALA 101 74.784 -1.377 -3.255 827 HA ALA 101 HA ALA 101 74.214 -4.061 -4.223 828 HB1 ALA 101 HB1 ALA 101 76.870 -2.703 -3.718 829 HB2 ALA 101 HB2 ALA 101 76.001 -2.681 -5.254 830 HB3 ALA 101 HB3 ALA 101 76.615 -4.203 -4.608 831 H THR 102 H THR 102 75.409 -2.472 -1.337 832 HA THR 102 HA THR 102 76.120 -5.020 -0.087 833 HB THR 102 HB THR 102 76.814 -3.589 1.820 834 HG1 THR 102 HG1 THR 102 75.545 -1.698 0.213 835 HG21 THR 102 HG21 THR 102 78.549 -2.243 0.442 836 HG22 THR 102 HG22 THR 102 77.804 -3.004 -0.964 837 HG23 THR 102 HG23 THR 102 78.550 -3.999 0.285 838 H ASN 103 H ASN 103 73.380 -3.248 -0.596 839 HA ASN 103 HA ASN 103 72.124 -3.863 1.986 840 HB2 ASN 103 HB2 ASN 103 71.392 -2.169 -0.384 841 HB3 ASN 103 HB1 ASN 103 70.162 -2.653 0.776 842 HD21 ASN 103 HD21 ASN 103 73.462 -2.157 1.864 843 HD22 ASN 103 HD22 ASN 103 73.160 -0.713 2.702 844 H GLU 104 H GLU 104 72.271 -4.943 -1.303 845 HA GLU 104 HA GLU 104 70.602 -7.237 -0.651 846 HB2 GLU 104 HB2 GLU 104 69.229 -6.875 -2.756 847 HB3 GLU 104 HB3 GLU 104 68.867 -5.786 -1.416 848 HG2 GLU 104 HG2 GLU 104 70.083 -3.994 -2.407 849 HG3 GLU 104 HG3 GLU 104 70.849 -5.065 -3.580 850 HHA HEC 201 HA HEC 105 89.293 -3.561 3.261 851 HHB HEC 201 HB HEC 105 85.512 -0.037 -0.380 852 HHC HEC 201 HC HEC 105 88.865 -1.728 -5.470 853 HHD HEC 201 HD HEC 105 92.220 -5.739 -1.908 854 HMA1 HEC 201 HMA1 HEC 105 85.677 0.778 2.418 855 HMA2 HEC 201 HMA2 HEC 105 85.011 -0.595 3.302 856 HMA3 HEC 201 HMA3 HEC 105 84.548 -0.321 1.625 857 HAA1 HEC 201 HAA1 HEC 105 86.806 -1.042 4.549 858 HAA2 HEC 201 HAA2 HEC 105 88.317 -1.927 4.519 859 HBA1 HEC 201 HBA1 HEC 105 87.247 -4.009 4.595 860 HBA2 HEC 201 HBA2 HEC 105 85.706 -3.347 4.060 861 HMB1 HEC 201 HMB1 HEC 105 84.118 0.120 -2.686 862 HMB2 HEC 201 HMB2 HEC 105 84.831 1.179 -3.895 863 HMB3 HEC 201 HMB3 HEC 105 85.106 1.490 -2.184 864 HAB HEC 201 HAB HEC 105 87.380 -0.515 -6.129 865 HBB1 HEC 201 HBB1 HEC 105 86.683 2.020 -4.691 866 HBB2 HEC 201 HBB2 HEC 105 87.993 1.703 -5.823 867 HBB3 HEC 201 HBB3 HEC 105 86.345 1.898 -6.416 868 HMC1 HEC 201 HMC1 HEC 105 89.836 -3.303 -6.822 869 HMC2 HEC 201 HMC2 HEC 105 91.331 -4.236 -6.828 870 HMC3 HEC 201 HMC3 HEC 105 91.379 -2.495 -6.555 871 HAC HEC 201 HAC HEC 105 92.726 -6.103 -3.834 872 HBC1 HEC 201 HBC1 HEC 105 94.435 -5.140 -4.954 873 HBC2 HEC 201 HBC2 HEC 105 93.372 -3.868 -5.560 874 HBC3 HEC 201 HBC3 HEC 105 93.535 -5.382 -6.450 875 HMD1 HEC 201 HMD1 HEC 105 93.471 -6.249 -0.061 876 HMD2 HEC 201 HMD2 HEC 105 92.288 -7.488 0.356 877 HMD3 HEC 201 HMD3 HEC 105 93.170 -6.647 1.627 878 HAD1 HEC 201 HAD1 HEC 105 91.748 -6.398 3.258 879 HAD2 HEC 201 HAD2 HEC 105 90.375 -5.450 3.782 880 HBD1 HEC 201 HBD1 HEC 105 92.461 -3.588 3.304 881 HBD2 HEC 201 HBD2 HEC 105 93.189 -4.934 4.173 882 H1 HOH 301 H2 HOH 200 82.653 3.992 -1.071 883 H2 HOH 301 H1 HOH 200 82.828 2.579 -0.553 884 H1 HOH 302 H2 HOH 201 86.116 6.365 5.195 885 H2 HOH 302 H1 HOH 201 86.487 4.911 5.391 886 H1 HOH 303 H2 HOH 202 82.174 -5.784 5.202 887 H2 HOH 303 H1 HOH 202 81.871 -6.472 6.516 888 H1 HOH 304 H2 HOH 203 81.425 -11.302 0.333 889 H2 HOH 304 H1 HOH 203 80.590 -10.080 0.022 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 71.979 10.262 -6.670 2 H2 GLY 1 H2 GLY 1 73.093 11.410 -6.099 3 H3 GLY 1 H3 GLY 1 72.663 10.082 -5.128 4 HA2 GLY 1 HA2 GLY 1 74.751 10.280 -6.992 5 HA3 GLY 1 HA3 GLY 1 74.330 8.913 -5.957 6 H ASP 2 H ASP 2 75.327 8.586 -8.562 7 HA ASP 2 HA ASP 2 72.955 7.692 -10.092 8 HB2 ASP 2 HB2 ASP 2 75.756 8.402 -10.972 9 HB3 ASP 2 HB1 ASP 2 74.578 7.610 -12.018 10 H VAL 3 H VAL 3 72.785 5.777 -8.795 11 HA VAL 3 HA VAL 3 74.728 3.884 -8.295 12 HB VAL 3 HB VAL 3 72.512 3.632 -7.379 13 HG11 VAL 3 HG11 VAL 3 71.655 3.370 -10.276 14 HG12 VAL 3 HG12 VAL 3 71.198 4.644 -9.146 15 HG13 VAL 3 HG13 VAL 3 70.611 2.999 -8.905 16 HG21 VAL 3 HG21 VAL 3 72.759 1.372 -9.368 17 HG22 VAL 3 HG22 VAL 3 72.229 1.302 -7.687 18 HG23 VAL 3 HG23 VAL 3 73.928 1.573 -8.066 19 H GLU 4 H GLU 4 73.455 4.882 -11.313 20 HA GLU 4 HA GLU 4 73.950 2.461 -12.769 21 HB2 GLU 4 HB2 GLU 4 73.504 5.325 -13.618 22 HB3 GLU 4 HB3 GLU 4 73.777 4.017 -14.770 23 HG2 GLU 4 HG2 GLU 4 71.818 2.839 -14.017 24 HG3 GLU 4 HG3 GLU 4 71.614 3.938 -12.655 25 H LYS 5 H LYS 5 75.625 5.620 -12.771 26 HA LYS 5 HA LYS 5 77.904 4.561 -14.153 27 HB2 LYS 5 HB2 LYS 5 77.259 7.173 -12.802 28 HB3 LYS 5 HB3 LYS 5 78.916 6.822 -13.281 29 HG2 LYS 5 HG2 LYS 5 78.084 7.905 -15.181 30 HG3 LYS 5 HG3 LYS 5 77.853 6.211 -15.600 31 HD2 LYS 5 HD2 LYS 5 75.757 7.094 -16.114 32 HD3 LYS 5 HD3 LYS 5 75.496 6.550 -14.461 33 HE2 LYS 5 HE2 LYS 5 75.877 8.800 -13.609 34 HE3 LYS 5 HE3 LYS 5 76.305 9.372 -15.221 35 HZ1 LYS 5 HZ1 LYS 5 73.854 9.535 -14.197 36 HZ2 LYS 5 HZ2 LYS 5 73.739 8.040 -14.999 37 HZ3 LYS 5 HZ3 LYS 5 74.169 9.440 -15.862 38 H GLY 6 H GLY 6 76.859 4.662 -10.894 39 HA2 GLY 6 HA2 GLY 6 79.446 4.459 -9.656 40 HA3 GLY 6 HA3 GLY 6 77.893 4.094 -8.898 41 H LYS 7 H LYS 7 77.068 2.304 -11.011 42 HA LYS 7 HA LYS 7 78.156 -0.137 -10.015 43 HB2 LYS 7 HB2 LYS 7 75.815 0.193 -10.914 44 HB3 LYS 7 HB3 LYS 7 76.519 0.255 -12.528 45 HG2 LYS 7 HG2 LYS 7 77.650 -2.002 -11.862 46 HG3 LYS 7 HG3 LYS 7 76.423 -2.058 -10.600 47 HD2 LYS 7 HD2 LYS 7 75.359 -3.185 -12.352 48 HD3 LYS 7 HD3 LYS 7 74.756 -1.543 -12.557 49 HE2 LYS 7 HE2 LYS 7 77.035 -1.406 -14.044 50 HE3 LYS 7 HE3 LYS 7 76.608 -3.101 -14.272 51 HZ1 LYS 7 HZ1 LYS 7 75.585 -1.631 -15.926 52 HZ2 LYS 7 HZ2 LYS 7 74.756 -0.818 -14.686 53 HZ3 LYS 7 HZ3 LYS 7 74.427 -2.455 -14.999 54 H LYS 8 H LYS 8 78.521 1.717 -13.033 55 HA LYS 8 HA LYS 8 80.155 -0.124 -14.403 56 HB2 LYS 8 HB2 LYS 8 79.166 1.747 -15.570 57 HB3 LYS 8 HB3 LYS 8 80.033 2.896 -14.554 58 HG2 LYS 8 HG2 LYS 8 81.791 0.928 -15.879 59 HG3 LYS 8 HG3 LYS 8 80.923 1.972 -17.002 60 HD2 LYS 8 HD2 LYS 8 82.455 3.034 -14.615 61 HD3 LYS 8 HD3 LYS 8 83.167 2.868 -16.219 62 HE2 LYS 8 HE2 LYS 8 82.235 4.824 -16.851 63 HE3 LYS 8 HE3 LYS 8 80.629 4.202 -16.476 64 HZ1 LYS 8 HZ1 LYS 8 81.296 6.220 -15.206 65 HZ2 LYS 8 HZ2 LYS 8 82.479 5.281 -14.426 66 HZ3 LYS 8 HZ3 LYS 8 80.833 4.905 -14.241 67 H ILE 9 H ILE 9 80.996 2.588 -12.268 68 HA ILE 9 HA ILE 9 83.807 2.263 -12.466 69 HB ILE 9 HB ILE 9 82.155 3.511 -10.260 70 HG12 ILE 9 HG12 ILE 9 83.607 4.924 -12.504 71 HG13 ILE 9 HG13 ILE 9 81.938 4.382 -12.689 72 HG21 ILE 9 HG21 ILE 9 84.298 4.785 -9.867 73 HG22 ILE 9 HG22 ILE 9 85.094 3.672 -10.981 74 HG23 ILE 9 HG23 ILE 9 84.397 3.068 -9.477 75 HD11 ILE 9 HD11 ILE 9 82.008 6.721 -11.917 76 HD12 ILE 9 HD12 ILE 9 82.964 6.235 -10.518 77 HD13 ILE 9 HD13 ILE 9 81.299 5.680 -10.682 78 H PHE 10 H PHE 10 81.364 0.632 -10.637 79 HA PHE 10 HA PHE 10 83.184 -0.391 -8.634 80 HB2 PHE 10 HB2 PHE 10 81.044 -0.227 -7.764 81 HB3 PHE 10 HB1 PHE 10 80.280 -0.741 -9.267 82 HD1 PHE 10 HD1 PHE 10 80.215 -3.119 -9.902 83 HD2 PHE 10 HD2 PHE 10 81.884 -1.847 -6.159 84 HE1 PHE 10 HE1 PHE 10 80.154 -5.457 -9.087 85 HE2 PHE 10 HE2 PHE 10 81.824 -4.189 -5.339 86 HZ PHE 10 HZ PHE 10 80.960 -5.994 -6.808 87 H VAL 11 H VAL 11 81.353 -1.870 -11.330 88 HA VAL 11 HA VAL 11 82.317 -4.464 -11.081 89 HB VAL 11 HB VAL 11 81.794 -4.717 -13.494 90 HG11 VAL 11 HG11 VAL 11 79.696 -3.024 -12.136 91 HG12 VAL 11 HG12 VAL 11 80.055 -4.669 -11.613 92 HG13 VAL 11 HG13 VAL 11 79.456 -4.372 -13.244 93 HG21 VAL 11 HG21 VAL 11 82.603 -2.514 -14.239 94 HG22 VAL 11 HG22 VAL 11 81.327 -1.729 -13.310 95 HG23 VAL 11 HG23 VAL 11 80.914 -2.736 -14.695 96 H GLN 12 H GLN 12 83.823 -1.651 -12.520 97 HA GLN 12 HA GLN 12 86.008 -3.304 -13.571 98 HB2 GLN 12 HB2 GLN 12 86.728 -1.338 -14.737 99 HB3 GLN 12 HB1 GLN 12 84.984 -1.497 -14.947 100 HG2 GLN 12 HG2 GLN 12 84.722 0.068 -12.956 101 HG3 GLN 12 HG1 GLN 12 86.455 0.374 -13.081 102 HE21 GLN 12 HE21 GLN 12 85.731 -0.200 -16.189 103 HE22 GLN 12 HE22 GLN 12 85.300 1.354 -16.707 104 H LYS 13 H LYS 13 85.370 -1.111 -10.912 105 HA LYS 13 HA LYS 13 88.255 -0.956 -10.352 106 HB2 LYS 13 HB2 LYS 13 86.678 1.084 -10.396 107 HB3 LYS 13 HB3 LYS 13 86.153 0.527 -8.807 108 HG2 LYS 13 HG2 LYS 13 88.381 0.701 -7.922 109 HG3 LYS 13 HG3 LYS 13 89.067 0.959 -9.524 110 HD2 LYS 13 HD2 LYS 13 86.962 2.868 -8.577 111 HD3 LYS 13 HD3 LYS 13 88.581 3.013 -7.896 112 HE2 LYS 13 HE2 LYS 13 89.560 3.422 -10.014 113 HE3 LYS 13 HE3 LYS 13 88.141 2.830 -10.877 114 HZ1 LYS 13 HZ1 LYS 13 86.988 4.761 -9.578 115 HZ2 LYS 13 HZ2 LYS 13 87.826 5.070 -11.024 116 HZ3 LYS 13 HZ3 LYS 13 88.559 5.398 -9.527 117 H CYS 14 H CYS 14 85.344 -1.356 -8.260 118 HA CYS 14 HA CYS 14 87.004 -2.590 -6.239 119 HB2 CYS 14 HB2 CYS 14 84.025 -2.488 -6.070 120 HB3 CYS 14 HB1 CYS 14 85.213 -2.351 -4.781 121 H ALA 15 H ALA 15 84.509 -3.792 -8.453 122 HA ALA 15 HA ALA 15 83.995 -6.256 -7.352 123 HB1 ALA 15 HB1 ALA 15 84.245 -5.359 -10.205 124 HB2 ALA 15 HB2 ALA 15 82.793 -5.780 -9.296 125 HB3 ALA 15 HB3 ALA 15 83.898 -7.046 -9.827 126 H GLN 16 H GLN 16 86.939 -5.148 -8.833 127 HA GLN 16 HA GLN 16 88.227 -7.437 -9.603 128 HB2 GLN 16 HB2 GLN 16 89.082 -4.828 -8.521 129 HB3 GLN 16 HB1 GLN 16 90.274 -6.118 -8.377 130 HG2 GLN 16 HG2 GLN 16 90.040 -6.596 -10.791 131 HG3 GLN 16 HG1 GLN 16 88.862 -5.292 -10.932 132 HE21 GLN 16 HE21 GLN 16 89.833 -3.111 -9.830 133 HE22 GLN 16 HE22 GLN 16 91.412 -2.740 -10.329 134 H CYS 17 H CYS 17 88.502 -6.087 -6.280 135 HA CYS 17 HA CYS 17 88.950 -8.861 -5.333 136 HB2 CYS 17 HB2 CYS 17 90.101 -6.673 -3.710 137 HB3 CYS 17 HB1 CYS 17 90.779 -8.240 -4.132 138 H HIS 18 H HSD 18 86.361 -8.062 -5.360 139 HA HIS 18 HA HSD 18 85.749 -8.020 -2.530 140 HB2 HIS 18 HB2 HSD 18 85.117 -5.668 -4.297 141 HB3 HIS 18 HB1 HSD 18 84.128 -6.043 -2.886 142 HD1 HIS 18 HD1 HSD 18 86.529 -7.054 -1.064 143 HD2 HIS 18 HD2 HSD 18 86.443 -3.458 -3.174 144 HE1 HIS 18 HE1 HSD 18 88.163 -5.500 0.096 145 H THR 19 H THR 19 83.193 -7.743 -2.340 146 HA THR 19 HA THR 19 81.899 -9.286 -4.499 147 HB THR 19 HB THR 19 80.839 -10.097 -1.955 148 HG1 THR 19 HG1 THR 19 83.112 -11.216 -1.650 149 HG21 THR 19 HG21 THR 19 80.839 -11.342 -4.139 150 HG22 THR 19 HG22 THR 19 81.396 -12.304 -2.769 151 HG23 THR 19 HG23 THR 19 82.563 -11.638 -3.910 152 H VAL 20 H VAL 20 81.561 -7.231 -1.650 153 HA VAL 20 HA VAL 20 79.810 -5.938 -0.890 154 HB VAL 20 HB VAL 20 79.125 -4.255 -2.474 155 HG11 VAL 20 HG11 VAL 20 81.947 -5.100 -3.181 156 HG12 VAL 20 HG12 VAL 20 81.519 -4.332 -1.654 157 HG13 VAL 20 HG13 VAL 20 81.288 -3.466 -3.171 158 HG21 VAL 20 HG21 VAL 20 80.389 -5.916 -4.654 159 HG22 VAL 20 HG22 VAL 20 79.411 -4.463 -4.830 160 HG23 VAL 20 HG23 VAL 20 78.661 -5.971 -4.316 161 H GLU 21 H GLU 21 79.065 -8.705 -1.772 162 HA GLU 21 HA GLU 21 76.189 -8.171 -2.245 163 HB2 GLU 21 HB2 GLU 21 76.006 -10.060 -3.644 164 HB3 GLU 21 HB3 GLU 21 77.481 -9.257 -4.181 165 HG2 GLU 21 HG2 GLU 21 78.692 -10.815 -2.496 166 HG3 GLU 21 HG3 GLU 21 77.200 -11.755 -2.518 167 H LYS 22 H LYS 22 74.978 -8.734 -0.579 168 HA LYS 22 HA LYS 22 75.940 -10.055 1.708 169 HB2 LYS 22 HB2 LYS 22 73.979 -8.555 1.707 170 HB3 LYS 22 HB3 LYS 22 73.073 -9.750 0.783 171 HG2 LYS 22 HG2 LYS 22 74.353 -10.815 3.233 172 HG3 LYS 22 HG3 LYS 22 73.096 -9.615 3.526 173 HD2 LYS 22 HD2 LYS 22 71.539 -10.911 2.098 174 HD3 LYS 22 HD3 LYS 22 72.792 -12.127 1.854 175 HE2 LYS 22 HE2 LYS 22 71.903 -11.326 4.624 176 HE3 LYS 22 HE3 LYS 22 71.056 -12.576 3.712 177 HZ1 LYS 22 HZ1 LYS 22 72.726 -14.016 3.979 178 HZ2 LYS 22 HZ2 LYS 22 73.207 -13.009 5.260 179 HZ3 LYS 22 HZ3 LYS 22 73.929 -12.846 3.731 180 H GLY 23 H GLY 23 75.983 -12.144 2.338 181 HA2 GLY 23 HA2 GLY 23 75.674 -14.432 2.305 182 HA3 GLY 23 HA3 GLY 23 74.415 -14.201 1.096 183 H GLY 24 H GLY 24 77.544 -12.826 0.526 184 HA2 GLY 24 HA2 GLY 24 77.941 -14.698 -1.707 185 HA3 GLY 24 HA3 GLY 24 78.738 -13.141 -1.502 186 H LYS 25 H LYS 25 80.836 -13.797 -1.635 187 HA LYS 25 HA LYS 25 81.906 -15.188 0.689 188 HB2 LYS 25 HB2 LYS 25 83.298 -16.674 -0.862 189 HB3 LYS 25 HB3 LYS 25 81.601 -17.109 -0.665 190 HG2 LYS 25 HG2 LYS 25 81.077 -15.853 -2.761 191 HG3 LYS 25 HG3 LYS 25 82.801 -15.552 -2.975 192 HD2 LYS 25 HD2 LYS 25 83.148 -18.062 -2.887 193 HD3 LYS 25 HD3 LYS 25 81.394 -18.232 -2.961 194 HE2 LYS 25 HE2 LYS 25 81.280 -17.237 -5.119 195 HE3 LYS 25 HE3 LYS 25 82.930 -16.621 -5.006 196 HZ1 LYS 25 HZ1 LYS 25 82.844 -18.577 -6.399 197 HZ2 LYS 25 HZ2 LYS 25 82.141 -19.481 -5.143 198 HZ3 LYS 25 HZ3 LYS 25 83.733 -18.906 -4.992 199 H HIS 26 H HIS 26 83.480 -13.906 1.371 200 HA HIS 26 HA HIS 26 84.619 -11.795 -0.040 201 HB2 HIS 26 HB2 HIS 26 86.552 -12.176 1.716 202 HB3 HIS 26 HB1 HIS 26 84.959 -11.644 2.248 203 HD1 HIS 26 HD1 HIS 26 86.617 -15.024 1.557 204 HD2 HIS 26 HD2 HIS 26 84.059 -13.222 4.313 205 HE1 HIS 26 HE1 HIS 26 86.075 -16.788 3.292 206 HE2 HIS 26 HE2 HIS 26 84.516 -15.705 4.979 207 H LYS 27 H LYS 27 86.032 -11.695 -1.646 208 HA LYS 27 HA LYS 27 87.871 -13.976 -2.087 209 HB2 LYS 27 HB2 LYS 27 87.658 -13.265 -4.567 210 HB3 LYS 27 HB3 LYS 27 86.331 -14.180 -3.853 211 HG2 LYS 27 HG2 LYS 27 84.990 -12.232 -3.583 212 HG3 LYS 27 HG3 LYS 27 86.358 -11.159 -3.875 213 HD2 LYS 27 HD2 LYS 27 84.955 -11.249 -5.874 214 HD3 LYS 27 HD3 LYS 27 86.502 -12.027 -6.207 215 HE2 LYS 27 HE2 LYS 27 85.566 -14.201 -6.064 216 HE3 LYS 27 HE3 LYS 27 84.106 -13.609 -5.268 217 HZ1 LYS 27 HZ1 LYS 27 83.171 -13.326 -7.237 218 HZ2 LYS 27 HZ2 LYS 27 84.555 -13.950 -7.998 219 HZ3 LYS 27 HZ3 LYS 27 84.414 -12.279 -7.722 220 H THR 28 H THR 28 89.967 -13.441 -2.175 221 HA THR 28 HA THR 28 91.828 -12.086 -1.913 222 HB THR 28 HB THR 28 90.697 -10.537 -4.234 223 HG1 THR 28 HG1 THR 28 91.319 -12.245 -5.546 224 HG21 THR 28 HG21 THR 28 92.941 -10.235 -4.840 225 HG22 THR 28 HG22 THR 28 93.477 -11.644 -3.925 226 HG23 THR 28 HG23 THR 28 93.020 -10.166 -3.080 227 H GLY 29 H GLY 29 89.378 -11.251 -0.485 228 HA2 GLY 29 HA2 GLY 29 90.199 -8.987 0.804 229 HA3 GLY 29 HA3 GLY 29 89.254 -8.378 -0.553 230 HA PRO 30 HA PRO 30 86.557 -9.993 3.069 231 HB2 PRO 30 HB2 PRO 30 86.026 -7.633 4.364 232 HB3 PRO 30 HB1 PRO 30 87.366 -8.710 4.804 233 HG2 PRO 30 HG2 PRO 30 87.404 -6.207 3.189 234 HG3 PRO 30 HG1 PRO 30 88.562 -6.790 4.397 235 HD2 PRO 30 HD2 PRO 30 89.000 -7.002 1.704 236 HD3 PRO 30 HD1 PRO 30 89.660 -8.157 2.885 237 H ASN 31 H ASN 31 84.282 -8.968 3.649 238 HA ASN 31 HA ASN 31 83.073 -8.136 1.092 239 HB2 ASN 31 HB2 ASN 31 81.017 -9.006 1.942 240 HB3 ASN 31 HB1 ASN 31 82.257 -10.191 2.345 241 HD21 ASN 31 HD21 ASN 31 80.101 -10.434 3.937 242 HD22 ASN 31 HD22 ASN 31 80.350 -9.736 5.464 243 H LEU 32 H LEU 32 81.284 -6.533 1.228 244 HA LEU 32 HA LEU 32 81.843 -4.492 3.305 245 HB2 LEU 32 HB2 LEU 32 80.708 -3.966 0.556 246 HB3 LEU 32 HB3 LEU 32 81.277 -2.782 1.723 247 HG LEU 32 HG LEU 32 82.923 -4.751 0.121 248 HD11 LEU 32 HD11 LEU 32 83.363 -1.786 0.445 249 HD12 LEU 32 HD12 LEU 32 82.151 -2.385 -0.684 250 HD13 LEU 32 HD13 LEU 32 83.842 -2.836 -0.889 251 HD21 LEU 32 HD21 LEU 32 84.830 -3.465 1.440 252 HD22 LEU 32 HD22 LEU 32 84.074 -4.889 2.142 253 HD23 LEU 32 HD23 LEU 32 83.574 -3.285 2.660 254 H HIS 33 H HIS 33 79.959 -6.692 3.559 255 HA HIS 33 HA HIS 33 77.303 -5.938 3.011 256 HB2 HIS 33 HB2 HIS 33 78.378 -7.616 5.294 257 HB3 HIS 33 HB1 HIS 33 76.691 -7.543 4.787 258 HD1 HIS 33 HD1 HIS 33 78.033 -10.249 4.624 259 HD2 HIS 33 HD2 HIS 33 78.123 -7.523 1.471 260 HE1 HIS 33 HE1 HIS 33 78.476 -11.596 2.526 261 HE2 HIS 33 HE2 HIS 33 78.530 -9.950 0.594 262 H GLY 34 H GLY 34 75.813 -4.706 4.105 263 HA2 GLY 34 HA2 GLY 34 75.264 -2.775 5.313 264 HA3 GLY 34 HA3 GLY 34 75.584 -3.879 6.648 265 H LEU 35 H LEU 35 78.019 -2.788 4.396 266 HA LEU 35 HA LEU 35 79.998 -2.172 6.172 267 HB2 LEU 35 HB2 LEU 35 80.380 -2.247 3.781 268 HB3 LEU 35 HB3 LEU 35 79.346 -0.844 3.534 269 HG LEU 35 HG LEU 35 81.087 0.241 5.282 270 HD11 LEU 35 HD11 LEU 35 82.904 -1.550 3.700 271 HD12 LEU 35 HD12 LEU 35 82.272 -2.085 5.256 272 HD13 LEU 35 HD13 LEU 35 83.258 -0.625 5.156 273 HD21 LEU 35 HD21 LEU 35 80.519 0.961 2.913 274 HD22 LEU 35 HD22 LEU 35 81.809 -0.109 2.362 275 HD23 LEU 35 HD23 LEU 35 82.186 1.263 3.404 276 H PHE 36 H PHE 36 77.812 0.239 4.725 277 HA PHE 36 HA PHE 36 78.658 2.450 6.163 278 HB2 PHE 36 HB2 PHE 36 75.800 1.928 5.325 279 HB3 PHE 36 HB1 PHE 36 76.580 3.494 5.551 280 HD1 PHE 36 HD2 PHE 36 76.585 0.406 3.466 281 HD2 PHE 36 HD1 PHE 36 77.914 4.481 3.821 282 HE1 PHE 36 HE2 PHE 36 77.376 0.357 1.118 283 HE2 PHE 36 HE1 PHE 36 78.693 4.429 1.477 284 HZ PHE 36 HZ PHE 36 78.426 2.370 0.120 285 H GLY 37 H GLY 37 79.067 1.980 8.351 286 HA2 GLY 37 HA2 GLY 37 77.596 2.738 10.347 287 HA3 GLY 37 HA3 GLY 37 76.731 1.252 10.001 288 H ARG 38 H ARG 38 79.337 -0.119 9.285 289 HA ARG 38 HA ARG 38 79.970 -0.902 12.025 290 HB2 ARG 38 HB2 ARG 38 80.294 -2.081 9.336 291 HB3 ARG 38 HB3 ARG 38 81.582 -2.457 10.479 292 HG2 ARG 38 HG2 ARG 38 79.751 -3.105 12.136 293 HG3 ARG 38 HG3 ARG 38 78.618 -2.997 10.790 294 HD2 ARG 38 HD2 ARG 38 81.083 -4.611 10.339 295 HD3 ARG 38 HD3 ARG 38 79.885 -5.287 11.434 296 HE ARG 38 HE ARG 38 78.323 -4.658 9.379 297 HH11 ARG 38 HH21 ARG 38 81.488 -6.084 9.433 298 HH12 ARG 38 HH22 ARG 38 81.250 -6.981 7.972 299 HH21 ARG 38 HH11 ARG 38 78.015 -5.852 7.477 300 HH22 ARG 38 HH12 ARG 38 79.289 -6.858 6.873 301 H LYS 39 H LYS 39 82.126 -1.110 12.826 302 HA LYS 39 HA LYS 39 83.758 1.194 12.256 303 HB2 LYS 39 HB2 LYS 39 83.791 -1.026 14.255 304 HB3 LYS 39 HB3 LYS 39 85.274 -0.108 13.998 305 HG2 LYS 39 HG2 LYS 39 82.688 1.373 14.399 306 HG3 LYS 39 HG3 LYS 39 83.516 0.696 15.801 307 HD2 LYS 39 HD2 LYS 39 85.601 1.894 15.086 308 HD3 LYS 39 HD3 LYS 39 84.673 2.657 13.797 309 HE2 LYS 39 HE2 LYS 39 84.497 4.273 15.456 310 HE3 LYS 39 HE3 LYS 39 83.055 3.317 15.791 311 HZ1 LYS 39 HZ1 LYS 39 85.646 3.304 17.202 312 HZ2 LYS 39 HZ2 LYS 39 84.592 1.976 17.305 313 HZ3 LYS 39 HZ3 LYS 39 84.089 3.508 17.841 314 H THR 40 H THR 40 86.139 0.986 11.941 315 HA THR 40 HA THR 40 86.734 -0.418 9.583 316 HB THR 40 HB THR 40 89.148 0.157 10.220 317 HG1 THR 40 HG1 THR 40 87.916 1.759 12.169 318 HG21 THR 40 HG21 THR 40 88.704 2.609 9.904 319 HG22 THR 40 HG22 THR 40 86.984 2.268 10.090 320 HG23 THR 40 HG23 THR 40 87.878 1.581 8.734 321 H GLY 41 H GLY 41 87.893 -2.254 9.148 322 HA2 GLY 41 HA2 GLY 41 88.413 -4.476 9.467 323 HA3 GLY 41 HA3 GLY 41 89.423 -3.840 10.762 324 H GLN 42 H GLN 42 85.899 -4.140 10.343 325 HA GLN 42 HA GLN 42 85.800 -5.508 12.970 326 HB2 GLN 42 HB2 GLN 42 84.652 -3.319 12.904 327 HB3 GLN 42 HB1 GLN 42 83.628 -3.911 11.595 328 HG2 GLN 42 HG2 GLN 42 82.570 -5.506 12.984 329 HG3 GLN 42 HG1 GLN 42 83.827 -5.396 14.214 330 HE21 GLN 42 HE21 GLN 42 81.672 -3.013 12.550 331 HE22 GLN 42 HE22 GLN 42 81.193 -2.240 13.984 332 H ALA 43 H ALA 43 85.134 -5.804 9.605 333 HA ALA 43 HA ALA 43 83.059 -7.704 9.675 334 HB1 ALA 43 HB1 ALA 43 83.240 -7.292 7.478 335 HB2 ALA 43 HB2 ALA 43 84.689 -8.294 7.447 336 HB3 ALA 43 HB3 ALA 43 84.825 -6.555 7.710 337 HA PRO 44 HA PRO 44 85.603 -11.038 11.315 338 HB2 PRO 44 HB2 PRO 44 83.634 -12.852 11.691 339 HB3 PRO 44 HB1 PRO 44 83.805 -11.426 12.734 340 HG2 PRO 44 HG2 PRO 44 81.928 -11.893 10.464 341 HG3 PRO 44 HG1 PRO 44 81.630 -11.122 12.032 342 HD2 PRO 44 HD2 PRO 44 82.086 -9.723 9.694 343 HD3 PRO 44 HD1 PRO 44 82.409 -9.076 11.319 344 H GLY 45 H GLY 45 86.902 -12.003 9.829 345 HA2 GLY 45 HA2 GLY 45 86.373 -14.316 8.494 346 HA3 GLY 45 HA3 GLY 45 85.883 -13.072 7.349 347 H PHE 46 H PHE 46 87.487 -11.509 6.661 348 HA PHE 46 HA PHE 46 90.015 -12.730 6.117 349 HB2 PHE 46 HB2 PHE 46 88.669 -11.018 4.695 350 HB3 PHE 46 HB1 PHE 46 89.443 -9.804 5.712 351 HD1 PHE 46 HD2 PHE 46 90.113 -12.652 3.408 352 HD2 PHE 46 HD1 PHE 46 91.728 -9.206 5.399 353 HE1 PHE 46 HE2 PHE 46 92.180 -12.837 2.050 354 HE2 PHE 46 HE1 PHE 46 93.795 -9.391 4.042 355 HZ PHE 46 HZ PHE 46 94.022 -11.207 2.369 356 H THR 47 H THR 47 92.101 -11.916 6.694 357 HA THR 47 HA THR 47 92.256 -11.121 9.468 358 HB THR 47 HB THR 47 94.559 -11.386 7.539 359 HG1 THR 47 HG1 THR 47 93.152 -13.236 7.516 360 HG21 THR 47 HG21 THR 47 94.365 -11.977 10.500 361 HG22 THR 47 HG22 THR 47 94.884 -10.418 9.856 362 HG23 THR 47 HG23 THR 47 95.829 -11.869 9.522 363 H TYR 48 H TYR 48 91.315 -9.020 9.369 364 HA TYR 48 HA TYR 48 92.204 -6.920 7.724 365 HB2 TYR 48 HB2 TYR 48 90.707 -7.131 10.293 366 HB3 TYR 48 HB3 TYR 48 91.361 -5.552 9.866 367 HD1 TYR 48 HD2 TYR 48 90.824 -4.578 7.591 368 HD2 TYR 48 HD1 TYR 48 88.767 -7.978 9.215 369 HE1 TYR 48 HE2 TYR 48 88.967 -4.216 5.991 370 HE2 TYR 48 HE1 TYR 48 86.907 -7.616 7.615 371 HH TYR 48 HH TYR 48 86.472 -4.787 5.929 372 H THR 49 H THR 49 93.541 -5.113 8.213 373 HA THR 49 HA THR 49 95.972 -5.863 9.597 374 HB THR 49 HB THR 49 96.816 -3.698 8.786 375 HG1 THR 49 HG1 THR 49 94.327 -3.319 7.532 376 HG21 THR 49 HG21 THR 49 96.265 -4.120 6.292 377 HG22 THR 49 HG22 THR 49 95.319 -5.490 6.877 378 HG23 THR 49 HG23 THR 49 97.053 -5.418 7.188 379 H ASP 50 H ASP 50 96.943 -4.615 11.295 380 HA ASP 50 HA ASP 50 95.320 -4.112 13.490 381 HB2 ASP 50 HB2 ASP 50 97.777 -4.437 13.594 382 HB3 ASP 50 HB1 ASP 50 97.998 -2.832 12.898 383 H ALA 51 H ALA 51 96.613 -1.802 11.117 384 HA ALA 51 HA ALA 51 95.705 0.570 12.238 385 HB1 ALA 51 HB1 ALA 51 97.134 0.589 10.292 386 HB2 ALA 51 HB2 ALA 51 95.634 1.425 9.888 387 HB3 ALA 51 HB3 ALA 51 95.903 -0.226 9.326 388 H ASN 52 H ASN 52 93.966 -1.764 10.220 389 HA ASN 52 HA ASN 52 91.541 -0.177 10.216 390 HB2 ASN 52 HB2 ASN 52 92.525 -2.621 8.917 391 HB3 ASN 52 HB1 ASN 52 90.830 -2.716 9.383 392 HD21 ASN 52 HD21 ASN 52 90.197 -2.604 7.090 393 HD22 ASN 52 HD22 ASN 52 90.261 -1.126 6.253 394 H LYS 53 H LYS 53 92.968 -2.675 12.137 395 HA LYS 53 HA LYS 53 90.476 -3.389 13.455 396 HB2 LYS 53 HB2 LYS 53 91.636 -5.284 13.835 397 HB3 LYS 53 HB3 LYS 53 93.088 -4.550 13.166 398 HG2 LYS 53 HG2 LYS 53 93.606 -3.563 15.377 399 HG3 LYS 53 HG3 LYS 53 92.153 -4.313 16.045 400 HD2 LYS 53 HD2 LYS 53 93.014 -6.527 15.605 401 HD3 LYS 53 HD3 LYS 53 94.391 -5.866 14.722 402 HE2 LYS 53 HE2 LYS 53 95.256 -4.831 16.745 403 HE3 LYS 53 HE3 LYS 53 93.825 -5.323 17.650 404 HZ1 LYS 53 HZ1 LYS 53 94.418 -7.649 17.147 405 HZ2 LYS 53 HZ2 LYS 53 95.590 -6.855 18.087 406 HZ3 LYS 53 HZ3 LYS 53 95.856 -7.109 16.429 407 H ASN 54 H ASN 54 92.772 -0.964 13.621 408 HA ASN 54 HA ASN 54 92.937 -0.474 16.403 409 HB2 ASN 54 HB2 ASN 54 94.024 1.472 15.810 410 HB3 ASN 54 HB1 ASN 54 94.266 0.517 14.354 411 HD21 ASN 54 HD21 ASN 54 91.570 0.801 13.291 412 HD22 ASN 54 HD22 ASN 54 91.372 2.425 12.842 413 H LYS 55 H LYS 55 90.456 -0.048 14.111 414 HA LYS 55 HA LYS 55 88.347 0.883 14.211 415 HB2 LYS 55 HB2 LYS 55 88.920 0.441 17.141 416 HB3 LYS 55 HB3 LYS 55 87.371 1.050 16.556 417 HG2 LYS 55 HG2 LYS 55 87.199 -0.961 15.072 418 HG3 LYS 55 HG3 LYS 55 88.673 -1.585 15.812 419 HD2 LYS 55 HD2 LYS 55 87.648 -1.880 17.909 420 HD3 LYS 55 HD3 LYS 55 86.327 -0.776 17.524 421 HE2 LYS 55 HE2 LYS 55 85.499 -2.389 15.827 422 HE3 LYS 55 HE3 LYS 55 86.790 -3.503 16.278 423 HZ1 LYS 55 HZ1 LYS 55 85.669 -2.880 18.656 424 HZ2 LYS 55 HZ2 LYS 55 85.327 -4.278 17.750 425 HZ3 LYS 55 HZ3 LYS 55 84.320 -2.915 17.628 426 H GLY 56 H GLY 56 89.795 2.803 13.436 427 HA2 GLY 56 HA2 GLY 56 89.929 4.996 15.359 428 HA3 GLY 56 HA3 GLY 56 90.543 5.014 13.709 429 H ILE 57 H ILE 57 88.112 4.100 12.453 430 HA ILE 57 HA ILE 57 86.147 6.182 13.122 431 HB ILE 57 HB ILE 57 86.073 7.062 10.889 432 HG12 ILE 57 HG12 ILE 57 87.993 6.171 9.304 433 HG13 ILE 57 HG13 ILE 57 87.897 4.732 10.312 434 HG21 ILE 57 HG21 ILE 57 88.235 8.125 10.770 435 HG22 ILE 57 HG22 ILE 57 88.991 6.803 11.661 436 HG23 ILE 57 HG23 ILE 57 87.856 7.880 12.476 437 HD11 ILE 57 HD11 ILE 57 86.359 5.108 8.113 438 HD12 ILE 57 HD12 ILE 57 85.294 5.794 9.335 439 HD13 ILE 57 HD13 ILE 57 85.848 4.129 9.480 440 H THR 58 H THR 58 84.200 5.957 11.583 441 HA THR 58 HA THR 58 83.606 3.077 11.265 442 HB THR 58 HB THR 58 81.721 5.367 11.859 443 HG1 THR 58 HG1 THR 58 83.258 4.342 13.496 444 HG21 THR 58 HG21 THR 58 80.718 3.557 10.475 445 HG22 THR 58 HG22 THR 58 80.021 3.624 12.093 446 HG23 THR 58 HG23 THR 58 81.209 2.386 11.698 447 H TRP 59 H TRP 59 82.720 2.348 9.377 448 HA TRP 59 HA TRP 59 83.110 3.901 7.027 449 HB2 TRP 59 HB2 TRP 59 81.316 1.483 7.192 450 HB3 TRP 59 HB1 TRP 59 82.261 2.061 5.819 451 HD1 TRP 59 HD1 TRP 59 85.041 2.478 7.204 452 HE1 TRP 59 HE1 TRP 59 86.421 0.431 7.965 453 HE3 TRP 59 HE3 TRP 59 81.341 -1.012 7.564 454 HZ2 TRP 59 HZ2 TRP 59 85.994 -2.312 8.670 455 HZ3 TRP 59 HZ3 TRP 59 81.850 -3.327 8.275 456 HH2 TRP 59 HH2 TRP 59 84.172 -3.980 8.828 457 H LYS 60 H LYS 60 81.727 5.108 5.855 458 HA LYS 60 HA LYS 60 78.867 5.065 6.323 459 HB2 LYS 60 HB2 LYS 60 80.556 7.463 7.078 460 HB3 LYS 60 HB3 LYS 60 78.810 7.530 6.847 461 HG2 LYS 60 HG2 LYS 60 78.667 5.621 8.560 462 HG3 LYS 60 HG3 LYS 60 80.351 5.982 8.937 463 HD2 LYS 60 HD2 LYS 60 78.210 8.119 8.958 464 HD3 LYS 60 HD3 LYS 60 78.584 7.150 10.383 465 HE2 LYS 60 HE2 LYS 60 80.982 7.856 10.161 466 HE3 LYS 60 HE3 LYS 60 80.495 8.941 8.860 467 HZ1 LYS 60 HZ1 LYS 60 80.547 10.158 10.896 468 HZ2 LYS 60 HZ2 LYS 60 79.571 9.010 11.679 469 HZ3 LYS 60 HZ3 LYS 60 78.925 9.976 10.440 470 H GLU 61 H GLU 61 78.252 7.512 5.113 471 HA GLU 61 HA GLU 61 78.801 6.870 2.366 472 HB2 GLU 61 HB2 GLU 61 76.640 7.851 3.206 473 HB3 GLU 61 HB3 GLU 61 77.500 9.371 3.462 474 HG2 GLU 61 HG2 GLU 61 78.118 9.435 1.080 475 HG3 GLU 61 HG3 GLU 61 77.278 7.907 0.815 476 H GLU 62 H GLU 62 79.445 9.794 4.324 477 HA GLU 62 HA GLU 62 81.205 10.933 2.397 478 HB2 GLU 62 HB2 GLU 62 80.805 11.509 5.340 479 HB3 GLU 62 HB3 GLU 62 81.822 12.478 4.274 480 HG2 GLU 62 HG2 GLU 62 79.932 13.038 2.873 481 HG3 GLU 62 HG3 GLU 62 78.892 11.917 3.749 482 H THR 63 H THR 63 81.732 9.056 5.363 483 HA THR 63 HA THR 63 84.504 9.271 5.541 484 HB THR 63 HB THR 63 84.433 7.109 6.724 485 HG1 THR 63 HG1 THR 63 82.065 6.968 5.311 486 HG21 THR 63 HG21 THR 63 82.225 9.093 7.269 487 HG22 THR 63 HG22 THR 63 83.807 8.988 8.042 488 HG23 THR 63 HG23 THR 63 82.586 7.754 8.359 489 H LEU 64 H LEU 64 82.494 7.193 3.537 490 HA LEU 64 HA LEU 64 84.640 5.616 2.515 491 HB2 LEU 64 HB2 LEU 64 81.763 5.882 2.051 492 HB3 LEU 64 HB3 LEU 64 82.663 5.549 0.579 493 HG LEU 64 HG LEU 64 83.048 3.937 3.110 494 HD11 LEU 64 HD11 LEU 64 80.938 3.185 2.732 495 HD12 LEU 64 HD12 LEU 64 81.656 2.313 1.377 496 HD13 LEU 64 HD13 LEU 64 80.879 3.872 1.112 497 HD21 LEU 64 HD21 LEU 64 83.767 2.259 1.241 498 HD22 LEU 64 HD22 LEU 64 84.877 3.558 1.664 499 HD23 LEU 64 HD23 LEU 64 83.879 3.688 0.216 500 H MET 65 H MET 65 83.123 8.652 1.565 501 HA MET 65 HA MET 65 84.180 8.842 -1.036 502 HB2 MET 65 HB2 MET 65 83.466 11.025 0.925 503 HB3 MET 65 HB1 MET 65 83.819 11.291 -0.781 504 HG2 MET 65 HG2 MET 65 81.941 9.975 -1.467 505 HG3 MET 65 HG1 MET 65 81.685 9.378 0.171 506 HE1 MET 65 HE1 MET 65 81.730 12.406 -2.183 507 HE2 MET 65 HE2 MET 65 80.172 13.127 -1.785 508 HE3 MET 65 HE3 MET 65 80.243 11.463 -2.359 509 H GLU 66 H GLU 66 85.416 10.402 1.942 510 HA GLU 66 HA GLU 66 87.788 11.349 0.740 511 HB2 GLU 66 HB2 GLU 66 88.622 11.610 3.050 512 HB3 GLU 66 HB3 GLU 66 86.981 12.230 2.879 513 HG2 GLU 66 HG2 GLU 66 86.162 9.968 3.694 514 HG3 GLU 66 HG3 GLU 66 87.837 9.598 4.099 515 H TYR 67 H TYR 67 86.857 8.305 2.117 516 HA TYR 67 HA TYR 67 89.520 7.193 2.230 517 HB2 TYR 67 HB2 TYR 67 87.966 6.333 3.802 518 HB3 TYR 67 HB3 TYR 67 86.741 6.085 2.568 519 HD1 TYR 67 HD2 TYR 67 86.981 4.255 0.899 520 HD2 TYR 67 HD1 TYR 67 89.716 4.721 4.179 521 HE1 TYR 67 HE2 TYR 67 87.779 1.932 0.562 522 HE2 TYR 67 HE1 TYR 67 90.514 2.396 3.842 523 HH TYR 67 HH TYR 67 89.736 0.574 1.048 524 H LEU 68 H LEU 68 86.976 7.447 -0.125 525 HA LEU 68 HA LEU 68 87.902 5.280 -1.785 526 HB2 LEU 68 HB2 LEU 68 85.701 7.244 -1.827 527 HB3 LEU 68 HB3 LEU 68 86.309 6.808 -3.417 528 HG LEU 68 HG LEU 68 85.526 4.778 -1.308 529 HD11 LEU 68 HD11 LEU 68 83.571 4.445 -3.004 530 HD12 LEU 68 HD12 LEU 68 83.951 6.091 -3.516 531 HD13 LEU 68 HD13 LEU 68 83.480 5.769 -1.848 532 HD21 LEU 68 HD21 LEU 68 86.572 4.664 -4.097 533 HD22 LEU 68 HD22 LEU 68 85.312 3.513 -3.672 534 HD23 LEU 68 HD23 LEU 68 86.815 3.551 -2.755 535 H GLU 69 H GLU 69 88.847 8.534 -1.326 536 HA GLU 69 HA GLU 69 90.095 8.688 -3.993 537 HB2 GLU 69 HB2 GLU 69 90.598 11.047 -3.323 538 HB3 GLU 69 HB3 GLU 69 88.874 10.673 -3.368 539 HG2 GLU 69 HG2 GLU 69 88.813 10.394 -0.967 540 HG3 GLU 69 HG3 GLU 69 90.562 10.567 -0.856 541 H ASN 70 H ASN 70 90.794 7.811 -0.822 542 HA ASN 70 HA ASN 70 93.549 7.342 -1.394 543 HB2 ASN 70 HB2 ASN 70 93.211 9.919 -0.763 544 HB3 ASN 70 HB1 ASN 70 93.293 9.269 0.870 545 HD21 ASN 70 HD21 ASN 70 95.177 7.200 0.555 546 HD22 ASN 70 HD22 ASN 70 96.667 7.862 0.084 547 HA PRO 71 HA PRO 71 91.270 4.724 1.758 548 HB2 PRO 71 HB2 PRO 71 92.865 2.688 0.276 549 HB3 PRO 71 HB1 PRO 71 91.163 2.652 0.760 550 HG2 PRO 71 HG2 PRO 71 91.884 3.065 -1.771 551 HG3 PRO 71 HG1 PRO 71 90.476 3.873 -1.059 552 HD2 PRO 71 HD2 PRO 71 93.181 4.990 -1.678 553 HD3 PRO 71 HD1 PRO 71 91.591 5.780 -1.743 554 H LYS 72 H LYS 72 94.654 4.778 0.712 555 HA LYS 72 HA LYS 72 95.611 3.435 3.080 556 HB2 LYS 72 HB2 LYS 72 96.754 3.274 0.887 557 HB3 LYS 72 HB3 LYS 72 97.150 4.987 0.991 558 HG2 LYS 72 HG2 LYS 72 99.092 4.014 1.851 559 HG3 LYS 72 HG3 LYS 72 98.181 4.333 3.324 560 HD2 LYS 72 HD2 LYS 72 98.838 2.104 3.624 561 HD3 LYS 72 HD3 LYS 72 97.220 1.922 2.954 562 HE2 LYS 72 HE2 LYS 72 98.478 0.436 1.651 563 HE3 LYS 72 HE3 LYS 72 98.444 1.882 0.646 564 HZ1 LYS 72 HZ1 LYS 72 100.586 2.437 2.013 565 HZ2 LYS 72 HZ2 LYS 72 100.662 1.428 0.648 566 HZ3 LYS 72 HZ3 LYS 72 100.650 0.754 2.208 567 H LYS 73 H LYS 73 95.772 6.782 1.861 568 HA LYS 73 HA LYS 73 97.242 7.852 3.978 569 HB2 LYS 73 HB2 LYS 73 96.860 9.092 1.916 570 HB3 LYS 73 HB3 LYS 73 95.136 9.191 2.274 571 HG2 LYS 73 HG2 LYS 73 95.487 10.611 4.139 572 HG3 LYS 73 HG3 LYS 73 97.211 10.244 4.197 573 HD2 LYS 73 HD2 LYS 73 97.684 11.559 2.303 574 HD3 LYS 73 HD3 LYS 73 96.006 11.545 1.759 575 HE2 LYS 73 HE2 LYS 73 95.338 13.129 3.352 576 HE3 LYS 73 HE3 LYS 73 96.718 12.801 4.400 577 HZ1 LYS 73 HZ1 LYS 73 97.984 13.617 2.236 578 HZ2 LYS 73 HZ2 LYS 73 97.461 14.689 3.446 579 HZ3 LYS 73 HZ3 LYS 73 96.543 14.486 2.031 580 H TYR 74 H TYR 74 93.772 7.248 3.700 581 HA TYR 74 HA TYR 74 93.033 8.740 6.002 582 HB2 TYR 74 HB2 TYR 74 91.604 7.652 4.014 583 HB3 TYR 74 HB3 TYR 74 91.395 6.380 5.217 584 HD1 TYR 74 HD1 TYR 74 91.415 10.136 5.067 585 HD2 TYR 74 HD2 TYR 74 89.574 6.598 6.667 586 HE1 TYR 74 HE1 TYR 74 89.753 11.537 6.259 587 HE2 TYR 74 HE2 TYR 74 87.914 8.002 7.858 588 HH TYR 74 HH TYR 74 88.259 11.415 8.139 589 H ILE 75 H ILE 75 93.396 5.213 5.545 590 HA ILE 75 HA ILE 75 93.969 5.011 8.446 591 HB ILE 75 HB ILE 75 92.543 2.935 6.766 592 HG12 ILE 75 HG12 ILE 75 91.322 4.693 8.906 593 HG13 ILE 75 HG13 ILE 75 91.299 5.152 7.203 594 HG21 ILE 75 HG21 ILE 75 93.210 3.204 9.708 595 HG22 ILE 75 HG22 ILE 75 93.655 1.895 8.612 596 HG23 ILE 75 HG23 ILE 75 91.976 2.093 9.115 597 HD11 ILE 75 HD11 ILE 75 89.242 3.891 8.036 598 HD12 ILE 75 HD12 ILE 75 90.282 2.474 8.175 599 HD13 ILE 75 HD13 ILE 75 90.021 3.224 6.601 600 HA PRO 76 HA PRO 76 97.637 3.698 5.764 601 HB2 PRO 76 HB2 PRO 76 98.787 4.428 8.437 602 HB3 PRO 76 HB1 PRO 76 99.434 4.731 6.813 603 HG2 PRO 76 HG2 PRO 76 98.236 6.653 8.233 604 HG3 PRO 76 HG1 PRO 76 98.091 6.557 6.471 605 HD2 PRO 76 HD2 PRO 76 96.048 5.984 8.546 606 HD3 PRO 76 HD1 PRO 76 95.831 6.433 6.842 607 H GLY 77 H GLY 77 98.134 1.587 5.671 608 HA2 GLY 77 HA2 GLY 77 99.138 -0.332 6.861 609 HA3 GLY 77 HA3 GLY 77 97.980 -0.030 8.154 610 H THR 78 H THR 78 95.814 0.596 6.253 611 HA THR 78 HA THR 78 94.591 -1.901 6.059 612 HB THR 78 HB THR 78 93.360 0.224 5.932 613 HG1 THR 78 HG1 THR 78 92.006 -1.080 5.019 614 HG21 THR 78 HG21 THR 78 94.439 0.437 3.119 615 HG22 THR 78 HG22 THR 78 95.126 1.322 4.482 616 HG23 THR 78 HG23 THR 78 93.458 1.617 3.989 617 H LYS 79 H LYS 79 94.625 -3.522 4.588 618 HA LYS 79 HA LYS 79 96.679 -3.430 2.541 619 HB2 LYS 79 HB2 LYS 79 96.316 -5.454 3.908 620 HB3 LYS 79 HB3 LYS 79 94.703 -5.623 3.214 621 HG2 LYS 79 HG2 LYS 79 95.506 -6.265 1.139 622 HG3 LYS 79 HG3 LYS 79 97.009 -5.363 1.322 623 HD2 LYS 79 HD2 LYS 79 97.463 -7.764 1.441 624 HD3 LYS 79 HD3 LYS 79 97.774 -7.019 3.007 625 HE2 LYS 79 HE2 LYS 79 95.646 -7.785 3.869 626 HE3 LYS 79 HE3 LYS 79 95.162 -8.369 2.276 627 HZ1 LYS 79 HZ1 LYS 79 97.051 -9.913 2.347 628 HZ2 LYS 79 HZ2 LYS 79 95.942 -10.194 3.603 629 HZ3 LYS 79 HZ3 LYS 79 97.408 -9.397 3.922 630 H MET 80 H MET 80 95.945 -1.940 1.001 631 HA MET 80 HA MET 80 94.297 -3.007 -1.047 632 HB2 MET 80 HB2 MET 80 92.464 -2.413 0.465 633 HB3 MET 80 HB1 MET 80 93.073 -0.761 0.575 634 HG2 MET 80 HG2 MET 80 92.655 -0.368 -1.764 635 HG3 MET 80 HG1 MET 80 92.302 -2.071 -2.045 636 HE1 MET 80 HE1 MET 80 89.155 0.642 -2.125 637 HE2 MET 80 HE2 MET 80 90.284 -0.182 -3.197 638 HE3 MET 80 HE3 MET 80 90.866 1.084 -2.123 639 H ILE 81 H ILE 81 95.955 -2.434 -2.401 640 HA ILE 81 HA ILE 81 96.352 0.469 -2.830 641 HB ILE 81 HB ILE 81 98.377 -1.775 -3.013 642 HG12 ILE 81 HG12 ILE 81 99.611 -0.147 -1.465 643 HG13 ILE 81 HG13 ILE 81 98.085 0.720 -1.318 644 HG21 ILE 81 HG21 ILE 81 98.813 -0.418 -4.915 645 HG22 ILE 81 HG22 ILE 81 99.916 0.176 -3.673 646 HG23 ILE 81 HG23 ILE 81 98.438 1.067 -4.039 647 HD11 ILE 81 HD11 ILE 81 97.742 -2.155 -0.898 648 HD12 ILE 81 HD12 ILE 81 97.261 -0.805 0.129 649 HD13 ILE 81 HD13 ILE 81 98.897 -1.452 0.233 650 H PHE 82 H PHE 82 95.435 1.035 -4.699 651 HA PHE 82 HA PHE 82 95.964 -0.529 -7.099 652 HB2 PHE 82 HB2 PHE 82 93.935 -1.599 -6.326 653 HB3 PHE 82 HB1 PHE 82 93.156 -0.037 -6.084 654 HD1 PHE 82 HD1 PHE 82 94.590 -2.307 -8.665 655 HD2 PHE 82 HD2 PHE 82 92.128 1.127 -7.892 656 HE1 PHE 82 HE1 PHE 82 93.835 -2.315 -11.027 657 HE2 PHE 82 HE2 PHE 82 91.373 1.117 -10.254 658 HZ PHE 82 HZ PHE 82 92.227 -0.604 -11.822 659 H ALA 83 H ALA 83 93.411 1.841 -6.435 660 HA ALA 83 HA ALA 83 94.848 4.106 -7.372 661 HB1 ALA 83 HB1 ALA 83 92.855 2.999 -9.357 662 HB2 ALA 83 HB2 ALA 83 94.597 2.768 -9.506 663 HB3 ALA 83 HB3 ALA 83 93.916 4.394 -9.558 664 H GLY 84 H GLY 84 93.917 5.518 -6.035 665 HA2 GLY 84 HA2 GLY 84 91.288 5.333 -5.021 666 HA3 GLY 84 HA3 GLY 84 92.314 6.762 -4.948 667 H ILE 85 H ILE 85 89.716 7.249 -5.269 668 HA ILE 85 HA ILE 85 88.990 7.409 -8.076 669 HB ILE 85 HB ILE 85 87.674 8.443 -5.558 670 HG12 ILE 85 HG12 ILE 85 87.859 5.881 -6.253 671 HG13 ILE 85 HG13 ILE 85 86.351 6.532 -5.620 672 HG21 ILE 85 HG21 ILE 85 86.881 8.624 -8.463 673 HG22 ILE 85 HG22 ILE 85 86.916 9.906 -7.254 674 HG23 ILE 85 HG23 ILE 85 85.675 8.656 -7.178 675 HD11 ILE 85 HD11 ILE 85 86.231 5.114 -7.782 676 HD12 ILE 85 HD12 ILE 85 86.907 6.532 -8.582 677 HD13 ILE 85 HD13 ILE 85 85.355 6.644 -7.753 678 H LYS 86 H LYS 86 88.430 9.484 -9.097 679 HA LYS 86 HA LYS 86 90.387 11.556 -8.355 680 HB2 LYS 86 HB2 LYS 86 90.498 10.617 -10.643 681 HB3 LYS 86 HB3 LYS 86 88.859 11.201 -10.941 682 HG2 LYS 86 HG2 LYS 86 89.557 13.500 -10.592 683 HG3 LYS 86 HG3 LYS 86 91.172 12.979 -10.116 684 HD2 LYS 86 HD2 LYS 86 89.944 12.443 -12.837 685 HD3 LYS 86 HD3 LYS 86 91.041 13.781 -12.493 686 HE2 LYS 86 HE2 LYS 86 92.593 12.232 -13.206 687 HE3 LYS 86 HE3 LYS 86 92.536 11.778 -11.504 688 HZ1 LYS 86 HZ1 LYS 86 91.976 9.768 -12.229 689 HZ2 LYS 86 HZ2 LYS 86 91.671 10.319 -13.807 690 HZ3 LYS 86 HZ3 LYS 86 90.459 10.418 -12.621 691 H LYS 87 H LYS 87 87.199 11.666 -9.977 692 HA LYS 87 HA LYS 87 86.661 14.254 -8.800 693 HB2 LYS 87 HB2 LYS 87 84.789 12.518 -10.415 694 HB3 LYS 87 HB3 LYS 87 84.682 14.260 -10.157 695 HG2 LYS 87 HG2 LYS 87 86.815 14.577 -11.353 696 HG3 LYS 87 HG3 LYS 87 86.939 12.835 -11.600 697 HD2 LYS 87 HD2 LYS 87 85.969 13.462 -13.615 698 HD3 LYS 87 HD3 LYS 87 84.521 13.142 -12.660 699 HE2 LYS 87 HE2 LYS 87 84.621 15.636 -12.005 700 HE3 LYS 87 HE3 LYS 87 85.765 15.810 -13.335 701 HZ1 LYS 87 HZ1 LYS 87 83.809 14.403 -14.492 702 HZ2 LYS 87 HZ2 LYS 87 83.916 16.098 -14.540 703 HZ3 LYS 87 HZ3 LYS 87 82.911 15.338 -13.400 704 H LYS 88 H LYS 88 84.620 14.726 -7.682 705 HA LYS 88 HA LYS 88 84.264 12.993 -5.434 706 HB2 LYS 88 HB2 LYS 88 84.009 15.530 -5.453 707 HB3 LYS 88 HB3 LYS 88 82.444 15.269 -6.224 708 HG2 LYS 88 HG2 LYS 88 81.745 13.843 -4.329 709 HG3 LYS 88 HG3 LYS 88 83.307 14.112 -3.555 710 HD2 LYS 88 HD2 LYS 88 82.059 15.761 -2.508 711 HD3 LYS 88 HD3 LYS 88 82.655 16.670 -3.897 712 HE2 LYS 88 HE2 LYS 88 80.504 15.861 -5.094 713 HE3 LYS 88 HE3 LYS 88 79.923 15.456 -3.479 714 HZ1 LYS 88 HZ1 LYS 88 79.418 17.771 -4.400 715 HZ2 LYS 88 HZ2 LYS 88 81.047 18.122 -4.065 716 HZ3 LYS 88 HZ3 LYS 88 79.998 17.658 -2.811 717 H THR 89 H THR 89 82.127 13.949 -8.135 718 HA THR 89 HA THR 89 79.917 12.405 -7.484 719 HB THR 89 HB THR 89 79.417 12.375 -9.915 720 HG1 THR 89 HG1 THR 89 80.905 13.203 -11.321 721 HG21 THR 89 HG21 THR 89 78.797 14.334 -8.627 722 HG22 THR 89 HG22 THR 89 79.426 14.869 -10.185 723 HG23 THR 89 HG23 THR 89 80.436 14.978 -8.743 724 H GLU 90 H GLU 90 83.007 11.429 -8.753 725 HA GLU 90 HA GLU 90 82.229 8.864 -9.715 726 HB2 GLU 90 HB2 GLU 90 84.862 10.044 -8.832 727 HB3 GLU 90 HB3 GLU 90 84.724 8.351 -9.299 728 HG2 GLU 90 HG2 GLU 90 84.084 8.895 -11.510 729 HG3 GLU 90 HG3 GLU 90 83.697 10.560 -11.078 730 H ARG 91 H ARG 91 83.314 10.142 -6.625 731 HA ARG 91 HA ARG 91 83.366 7.600 -5.284 732 HB2 ARG 91 HB2 ARG 91 83.235 10.408 -4.147 733 HB3 ARG 91 HB3 ARG 91 83.636 8.946 -3.251 734 HG2 ARG 91 HG2 ARG 91 85.555 8.591 -4.839 735 HG3 ARG 91 HG3 ARG 91 85.210 10.179 -5.522 736 HD2 ARG 91 HD2 ARG 91 85.316 10.406 -2.653 737 HD3 ARG 91 HD3 ARG 91 86.769 9.587 -3.216 738 HE ARG 91 HE ARG 91 86.523 11.706 -4.923 739 HH11 ARG 91 HH21 ARG 91 86.549 11.308 -1.482 740 HH12 ARG 91 HH22 ARG 91 87.249 12.861 -1.172 741 HH21 ARG 91 HH11 ARG 91 87.442 13.740 -4.520 742 HH22 ARG 91 HH12 ARG 91 87.757 14.236 -2.890 743 H GLU 92 H GLU 92 81.171 10.415 -5.227 744 HA GLU 92 HA GLU 92 79.259 9.380 -3.476 745 HB2 GLU 92 HB2 GLU 92 79.507 11.743 -4.654 746 HB3 GLU 92 HB3 GLU 92 78.377 11.041 -5.809 747 HG2 GLU 92 HG2 GLU 92 77.945 11.174 -2.810 748 HG3 GLU 92 HG3 GLU 92 77.201 12.250 -3.991 749 H ASP 93 H ASP 93 79.253 9.297 -7.054 750 HA ASP 93 HA ASP 93 76.948 7.720 -7.351 751 HB2 ASP 93 HB2 ASP 93 79.411 7.948 -9.096 752 HB3 ASP 93 HB1 ASP 93 77.933 7.118 -9.580 753 H LEU 94 H LEU 94 80.373 6.778 -7.227 754 HA LEU 94 HA LEU 94 80.056 4.013 -7.471 755 HB2 LEU 94 HB2 LEU 94 82.252 5.067 -7.590 756 HB3 LEU 94 HB3 LEU 94 82.111 5.585 -5.912 757 HG LEU 94 HG LEU 94 82.103 3.289 -5.140 758 HD11 LEU 94 HD11 LEU 94 80.970 2.040 -6.758 759 HD12 LEU 94 HD12 LEU 94 82.640 1.534 -7.010 760 HD13 LEU 94 HD13 LEU 94 81.908 2.726 -8.085 761 HD21 LEU 94 HD21 LEU 94 84.368 2.715 -5.663 762 HD22 LEU 94 HD22 LEU 94 84.281 4.474 -5.702 763 HD23 LEU 94 HD23 LEU 94 84.294 3.557 -7.208 764 H ILE 95 H ILE 95 79.780 6.135 -4.690 765 HA ILE 95 HA ILE 95 79.578 3.993 -2.805 766 HB ILE 95 HB ILE 95 79.240 6.966 -2.665 767 HG12 ILE 95 HG12 ILE 95 80.940 5.380 -0.804 768 HG13 ILE 95 HG13 ILE 95 81.419 5.346 -2.496 769 HG21 ILE 95 HG21 ILE 95 78.287 4.900 -0.707 770 HG22 ILE 95 HG22 ILE 95 77.566 6.453 -1.130 771 HG23 ILE 95 HG23 ILE 95 78.987 6.397 -0.089 772 HD11 ILE 95 HD11 ILE 95 80.743 8.032 -1.469 773 HD12 ILE 95 HD12 ILE 95 82.090 7.512 -2.479 774 HD13 ILE 95 HD13 ILE 95 82.163 7.293 -0.735 775 H ALA 96 H ALA 96 77.377 5.815 -4.774 776 HA ALA 96 HA ALA 96 74.980 5.261 -3.377 777 HB1 ALA 96 HB1 ALA 96 75.339 6.901 -5.312 778 HB2 ALA 96 HB2 ALA 96 73.853 5.949 -5.348 779 HB3 ALA 96 HB3 ALA 96 75.215 5.500 -6.375 780 H TYR 97 H TYR 97 76.877 3.486 -5.755 781 HA TYR 97 HA TYR 97 74.947 1.364 -6.036 782 HB2 TYR 97 HB2 TYR 97 76.386 1.714 -7.909 783 HB3 TYR 97 HB3 TYR 97 77.829 1.658 -6.896 784 HD1 TYR 97 HD1 TYR 97 75.034 -0.375 -8.269 785 HD2 TYR 97 HD2 TYR 97 78.821 -0.425 -6.244 786 HE1 TYR 97 HE1 TYR 97 75.167 -2.830 -8.580 787 HE2 TYR 97 HE2 TYR 97 78.952 -2.881 -6.556 788 HH TYR 97 HH TYR 97 77.945 -4.575 -8.250 789 H LEU 98 H LEU 98 78.071 1.765 -4.359 790 HA LEU 98 HA LEU 98 78.308 -0.781 -3.274 791 HB2 LEU 98 HB2 LEU 98 79.176 1.932 -2.309 792 HB3 LEU 98 HB3 LEU 98 79.477 0.499 -1.333 793 HG LEU 98 HG LEU 98 80.249 0.484 -4.242 794 HD11 LEU 98 HD11 LEU 98 82.041 1.518 -2.036 795 HD12 LEU 98 HD12 LEU 98 81.198 2.568 -3.172 796 HD13 LEU 98 HD13 LEU 98 82.404 1.428 -3.758 797 HD21 LEU 98 HD21 LEU 98 80.314 -1.483 -2.467 798 HD22 LEU 98 HD22 LEU 98 81.798 -0.682 -1.955 799 HD23 LEU 98 HD23 LEU 98 81.641 -1.271 -3.609 800 H LYS 99 H LYS 99 76.085 1.758 -2.511 801 HA LYS 99 HA LYS 99 75.381 0.741 0.105 802 HB2 LYS 99 HB2 LYS 99 74.365 2.929 -1.682 803 HB3 LYS 99 HB3 LYS 99 73.381 2.388 -0.323 804 HG2 LYS 99 HG2 LYS 99 75.419 2.735 1.155 805 HG3 LYS 99 HG3 LYS 99 76.189 3.520 -0.223 806 HD2 LYS 99 HD2 LYS 99 73.504 4.373 0.892 807 HD3 LYS 99 HD3 LYS 99 75.033 5.101 1.384 808 HE2 LYS 99 HE2 LYS 99 75.451 5.506 -1.123 809 HE3 LYS 99 HE3 LYS 99 73.741 5.141 -1.346 810 HZ1 LYS 99 HZ1 LYS 99 74.943 7.520 -0.398 811 HZ2 LYS 99 HZ2 LYS 99 73.888 6.899 0.780 812 HZ3 LYS 99 HZ3 LYS 99 73.319 7.228 -0.787 813 H LYS 100 H LYS 100 73.744 0.899 -3.062 814 HA LYS 100 HA LYS 100 71.557 -0.744 -2.208 815 HB2 LYS 100 HB2 LYS 100 72.490 0.046 -4.976 816 HB3 LYS 100 HB3 LYS 100 70.968 -0.770 -4.622 817 HG2 LYS 100 HG2 LYS 100 70.475 1.167 -3.016 818 HG3 LYS 100 HG3 LYS 100 71.830 2.002 -3.778 819 HD2 LYS 100 HD2 LYS 100 70.739 1.739 -5.985 820 HD3 LYS 100 HD3 LYS 100 69.374 0.940 -5.206 821 HE2 LYS 100 HE2 LYS 100 70.311 3.775 -4.666 822 HE3 LYS 100 HE3 LYS 100 68.876 3.320 -5.586 823 HZ1 LYS 100 HZ1 LYS 100 69.394 2.826 -2.707 824 HZ2 LYS 100 HZ2 LYS 100 68.092 2.146 -3.560 825 HZ3 LYS 100 HZ3 LYS 100 68.205 3.831 -3.379 826 H ALA 101 H ALA 101 74.733 -1.376 -3.318 827 HA ALA 101 HA ALA 101 74.150 -4.066 -4.267 828 HB1 ALA 101 HB1 ALA 101 76.856 -2.809 -3.787 829 HB2 ALA 101 HB2 ALA 101 75.935 -2.583 -5.274 830 HB3 ALA 101 HB3 ALA 101 76.477 -4.196 -4.810 831 H THR 102 H THR 102 75.428 -2.461 -1.417 832 HA THR 102 HA THR 102 76.129 -5.017 -0.174 833 HB THR 102 HB THR 102 76.913 -3.603 1.702 834 HG1 THR 102 HG1 THR 102 75.378 -1.807 0.409 835 HG21 THR 102 HG21 THR 102 78.530 -4.080 0.022 836 HG22 THR 102 HG22 THR 102 78.664 -2.349 0.335 837 HG23 THR 102 HG23 THR 102 77.814 -2.925 -1.099 838 H ASN 103 H ASN 103 73.451 -3.074 -0.560 839 HA ASN 103 HA ASN 103 72.226 -3.811 2.010 840 HB2 ASN 103 HB2 ASN 103 71.442 -1.912 -0.199 841 HB3 ASN 103 HB1 ASN 103 70.351 -2.340 1.111 842 HD21 ASN 103 HD21 ASN 103 73.834 -2.090 1.636 843 HD22 ASN 103 HD22 ASN 103 73.761 -0.688 2.587 844 H GLU 104 H GLU 104 72.251 -4.571 -1.357 845 HA GLU 104 HA GLU 104 70.787 -5.829 -2.680 846 HB2 GLU 104 HB2 GLU 104 71.291 -7.702 -0.359 847 HB3 GLU 104 HB3 GLU 104 70.926 -8.153 -2.024 848 HG2 GLU 104 HG2 GLU 104 73.237 -8.322 -2.067 849 HG3 GLU 104 HG3 GLU 104 73.046 -6.640 -2.552 850 HHA HEC 201 HA HEC 105 89.267 -3.403 3.202 851 HHB HEC 201 HB HEC 105 85.525 0.155 -0.445 852 HHC HEC 201 HC HEC 105 88.787 -1.675 -5.549 853 HHD HEC 201 HD HEC 105 92.116 -5.682 -1.966 854 HMA1 HEC 201 HMA1 HEC 105 85.721 0.982 2.379 855 HMA2 HEC 201 HMA2 HEC 105 85.015 -0.390 3.232 856 HMA3 HEC 201 HMA3 HEC 105 84.578 -0.079 1.556 857 HAA1 HEC 201 HAA1 HEC 105 86.777 -0.871 4.486 858 HAA2 HEC 201 HAA2 HEC 105 88.325 -1.692 4.457 859 HBA1 HEC 201 HBA1 HEC 105 87.307 -3.834 4.445 860 HBA2 HEC 201 HBA2 HEC 105 85.721 -3.164 4.072 861 HMB1 HEC 201 HMB1 HEC 105 84.797 1.293 -3.979 862 HMB2 HEC 201 HMB2 HEC 105 85.146 1.688 -2.299 863 HMB3 HEC 201 HMB3 HEC 105 84.117 0.311 -2.688 864 HAB HEC 201 HAB HEC 105 87.320 -0.444 -6.210 865 HBB1 HEC 201 HBB1 HEC 105 86.332 1.977 -6.536 866 HBB2 HEC 201 HBB2 HEC 105 86.659 2.124 -4.812 867 HBB3 HEC 201 HBB3 HEC 105 87.971 1.768 -5.926 868 HMC1 HEC 201 HMC1 HEC 105 91.269 -4.191 -6.883 869 HMC2 HEC 201 HMC2 HEC 105 91.212 -2.446 -6.644 870 HMC3 HEC 201 HMC3 HEC 105 89.722 -3.351 -6.893 871 HAC HEC 201 HAC HEC 105 92.611 -6.070 -3.889 872 HBC1 HEC 201 HBC1 HEC 105 94.320 -5.002 -4.926 873 HBC2 HEC 201 HBC2 HEC 105 93.231 -3.861 -5.715 874 HBC3 HEC 201 HBC3 HEC 105 93.532 -5.439 -6.440 875 HMD1 HEC 201 HMD1 HEC 105 93.323 -6.229 -0.198 876 HMD2 HEC 201 HMD2 HEC 105 92.195 -7.415 0.458 877 HMD3 HEC 201 HMD3 HEC 105 93.187 -6.444 1.544 878 HAD1 HEC 201 HAD1 HEC 105 91.807 -6.198 3.205 879 HAD2 HEC 201 HAD2 HEC 105 90.307 -5.435 3.694 880 HBD1 HEC 201 HBD1 HEC 105 91.497 -3.263 3.879 881 HBD2 HEC 201 HBD2 HEC 105 93.003 -4.081 3.473 882 H1 HOH 301 H2 HOH 200 81.347 3.574 -1.473 883 H2 HOH 301 H1 HOH 200 79.959 3.662 -0.871 884 H1 HOH 302 H2 HOH 201 86.134 6.066 5.911 885 H2 HOH 302 H1 HOH 201 87.438 5.894 6.657 886 H1 HOH 303 H2 HOH 202 81.571 -5.499 5.925 887 H2 HOH 303 H1 HOH 202 83.074 -5.325 5.913 888 H1 HOH 304 H2 HOH 203 82.162 -9.782 -0.030 889 H2 HOH 304 H1 HOH 203 80.686 -10.089 0.082 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 74.189 11.888 -7.605 2 H2 GLY 1 H2 GLY 1 74.586 11.933 -5.953 3 H3 GLY 1 H3 GLY 1 73.046 11.407 -6.447 4 HA2 GLY 1 HA2 GLY 1 75.631 10.029 -6.939 5 HA3 GLY 1 HA3 GLY 1 74.352 9.503 -5.844 6 H ASP 2 H ASP 2 75.574 8.344 -8.386 7 HA ASP 2 HA ASP 2 73.009 7.797 -9.760 8 HB2 ASP 2 HB2 ASP 2 75.717 8.195 -11.055 9 HB3 ASP 2 HB1 ASP 2 74.254 7.669 -11.888 10 H VAL 3 H VAL 3 72.795 5.880 -8.555 11 HA VAL 3 HA VAL 3 74.663 3.903 -8.111 12 HB VAL 3 HB VAL 3 72.474 3.729 -7.133 13 HG11 VAL 3 HG11 VAL 3 70.498 3.202 -8.621 14 HG12 VAL 3 HG12 VAL 3 71.518 3.594 -10.005 15 HG13 VAL 3 HG13 VAL 3 71.138 4.834 -8.811 16 HG21 VAL 3 HG21 VAL 3 72.007 1.420 -7.525 17 HG22 VAL 3 HG22 VAL 3 73.732 1.606 -7.831 18 HG23 VAL 3 HG23 VAL 3 72.605 1.505 -9.181 19 H GLU 4 H GLU 4 73.376 4.968 -11.101 20 HA GLU 4 HA GLU 4 73.716 2.525 -12.567 21 HB2 GLU 4 HB2 GLU 4 73.723 5.321 -13.708 22 HB3 GLU 4 HB3 GLU 4 73.255 3.823 -14.513 23 HG2 GLU 4 HG2 GLU 4 71.433 3.596 -12.737 24 HG3 GLU 4 HG3 GLU 4 71.802 5.260 -12.285 25 H LYS 5 H LYS 5 75.560 5.589 -12.609 26 HA LYS 5 HA LYS 5 77.769 4.367 -13.989 27 HB2 LYS 5 HB2 LYS 5 77.343 7.057 -12.686 28 HB3 LYS 5 HB3 LYS 5 78.906 6.585 -13.353 29 HG2 LYS 5 HG2 LYS 5 78.008 6.341 -15.551 30 HG3 LYS 5 HG3 LYS 5 76.349 6.422 -14.960 31 HD2 LYS 5 HD2 LYS 5 78.177 8.743 -14.425 32 HD3 LYS 5 HD3 LYS 5 77.499 8.556 -16.043 33 HE2 LYS 5 HE2 LYS 5 75.222 8.468 -15.070 34 HE3 LYS 5 HE3 LYS 5 75.909 8.694 -13.462 35 HZ1 LYS 5 HZ1 LYS 5 75.884 10.863 -13.815 36 HZ2 LYS 5 HZ2 LYS 5 75.286 10.639 -15.390 37 HZ3 LYS 5 HZ3 LYS 5 76.961 10.674 -15.112 38 H GLY 6 H GLY 6 76.731 4.570 -10.754 39 HA2 GLY 6 HA2 GLY 6 79.287 4.411 -9.467 40 HA3 GLY 6 HA3 GLY 6 77.726 4.020 -8.738 41 H LYS 7 H LYS 7 76.905 2.142 -10.702 42 HA LYS 7 HA LYS 7 78.141 -0.225 -9.699 43 HB2 LYS 7 HB2 LYS 7 75.760 -0.098 -10.434 44 HB3 LYS 7 HB3 LYS 7 76.319 0.086 -12.097 45 HG2 LYS 7 HG2 LYS 7 77.516 -2.085 -11.916 46 HG3 LYS 7 HG3 LYS 7 76.888 -2.275 -10.281 47 HD2 LYS 7 HD2 LYS 7 75.278 -3.458 -11.452 48 HD3 LYS 7 HD3 LYS 7 74.556 -1.850 -11.496 49 HE2 LYS 7 HE2 LYS 7 75.692 -1.472 -13.708 50 HE3 LYS 7 HE3 LYS 7 76.214 -3.156 -13.671 51 HZ1 LYS 7 HZ1 LYS 7 73.857 -3.792 -13.465 52 HZ2 LYS 7 HZ2 LYS 7 74.198 -2.988 -14.922 53 HZ3 LYS 7 HZ3 LYS 7 73.416 -2.166 -13.656 54 H LYS 8 H LYS 8 78.281 1.565 -12.763 55 HA LYS 8 HA LYS 8 79.875 -0.221 -14.218 56 HB2 LYS 8 HB2 LYS 8 78.816 1.666 -15.298 57 HB3 LYS 8 HB3 LYS 8 79.742 2.798 -14.315 58 HG2 LYS 8 HG2 LYS 8 81.416 0.848 -15.766 59 HG3 LYS 8 HG3 LYS 8 80.490 1.909 -16.824 60 HD2 LYS 8 HD2 LYS 8 82.167 2.929 -14.515 61 HD3 LYS 8 HD3 LYS 8 82.778 2.787 -16.162 62 HE2 LYS 8 HE2 LYS 8 80.519 4.153 -16.688 63 HE3 LYS 8 HE3 LYS 8 80.790 4.707 -15.037 64 HZ1 LYS 8 HZ1 LYS 8 82.135 6.172 -16.036 65 HZ2 LYS 8 HZ2 LYS 8 82.313 5.232 -17.440 66 HZ3 LYS 8 HZ3 LYS 8 83.247 4.890 -16.062 67 H ILE 9 H ILE 9 80.837 2.519 -12.163 68 HA ILE 9 HA ILE 9 83.624 2.176 -12.486 69 HB ILE 9 HB ILE 9 82.078 3.426 -10.204 70 HG12 ILE 9 HG12 ILE 9 83.490 4.825 -12.482 71 HG13 ILE 9 HG13 ILE 9 81.805 4.319 -12.617 72 HG21 ILE 9 HG21 ILE 9 85.000 3.562 -11.006 73 HG22 ILE 9 HG22 ILE 9 84.343 2.929 -9.496 74 HG23 ILE 9 HG23 ILE 9 84.247 4.655 -9.845 75 HD11 ILE 9 HD11 ILE 9 82.918 6.109 -10.434 76 HD12 ILE 9 HD12 ILE 9 81.230 5.635 -10.625 77 HD13 ILE 9 HD13 ILE 9 81.997 6.666 -11.832 78 H PHE 10 H PHE 10 81.274 0.585 -10.474 79 HA PHE 10 HA PHE 10 83.182 -0.453 -8.585 80 HB2 PHE 10 HB2 PHE 10 81.069 -0.346 -7.644 81 HB3 PHE 10 HB1 PHE 10 80.268 -0.862 -9.127 82 HD1 PHE 10 HD1 PHE 10 80.206 -3.232 -9.771 83 HD2 PHE 10 HD2 PHE 10 82.030 -1.965 -6.103 84 HE1 PHE 10 HE1 PHE 10 80.230 -5.580 -8.981 85 HE2 PHE 10 HE2 PHE 10 82.059 -4.314 -5.306 86 HZ PHE 10 HZ PHE 10 81.159 -6.122 -6.749 87 H VAL 11 H VAL 11 81.300 -1.947 -11.230 88 HA VAL 11 HA VAL 11 82.312 -4.525 -11.028 89 HB VAL 11 HB VAL 11 81.720 -4.765 -13.430 90 HG11 VAL 11 HG11 VAL 11 79.386 -4.481 -13.096 91 HG12 VAL 11 HG12 VAL 11 79.630 -3.134 -11.986 92 HG13 VAL 11 HG13 VAL 11 80.045 -4.774 -11.487 93 HG21 VAL 11 HG21 VAL 11 80.835 -2.841 -14.635 94 HG22 VAL 11 HG22 VAL 11 82.469 -2.466 -14.087 95 HG23 VAL 11 HG23 VAL 11 81.076 -1.816 -13.224 96 H GLN 12 H GLN 12 83.750 -1.666 -12.408 97 HA GLN 12 HA GLN 12 85.917 -3.257 -13.583 98 HB2 GLN 12 HB2 GLN 12 86.603 -1.236 -14.682 99 HB3 GLN 12 HB1 GLN 12 84.861 -1.421 -14.876 100 HG2 GLN 12 HG2 GLN 12 84.539 0.100 -12.906 101 HG3 GLN 12 HG1 GLN 12 86.282 0.373 -12.894 102 HE21 GLN 12 HE21 GLN 12 85.579 -0.088 -16.084 103 HE22 GLN 12 HE22 GLN 12 85.299 1.516 -16.552 104 H LYS 13 H LYS 13 85.346 -1.160 -10.820 105 HA LYS 13 HA LYS 13 88.248 -1.038 -10.322 106 HB2 LYS 13 HB2 LYS 13 85.952 0.477 -9.085 107 HB3 LYS 13 HB3 LYS 13 87.616 0.594 -8.527 108 HG2 LYS 13 HG2 LYS 13 87.976 0.981 -11.208 109 HG3 LYS 13 HG3 LYS 13 86.375 1.684 -10.995 110 HD2 LYS 13 HD2 LYS 13 87.190 3.191 -9.289 111 HD3 LYS 13 HD3 LYS 13 88.765 2.397 -9.274 112 HE2 LYS 13 HE2 LYS 13 89.170 3.088 -11.585 113 HE3 LYS 13 HE3 LYS 13 87.569 3.821 -11.667 114 HZ1 LYS 13 HZ1 LYS 13 89.978 4.760 -10.332 115 HZ2 LYS 13 HZ2 LYS 13 88.514 5.016 -9.508 116 HZ3 LYS 13 HZ3 LYS 13 88.732 5.643 -11.071 117 H CYS 14 H CYS 14 85.397 -1.497 -8.176 118 HA CYS 14 HA CYS 14 87.090 -2.822 -6.250 119 HB2 CYS 14 HB2 CYS 14 84.122 -2.762 -5.992 120 HB3 CYS 14 HB1 CYS 14 85.353 -2.593 -4.746 121 H ALA 15 H ALA 15 84.596 -3.947 -8.508 122 HA ALA 15 HA ALA 15 84.076 -6.442 -7.480 123 HB1 ALA 15 HB1 ALA 15 84.103 -7.141 -10.028 124 HB2 ALA 15 HB2 ALA 15 84.300 -5.406 -10.274 125 HB3 ALA 15 HB3 ALA 15 82.887 -6.020 -9.416 126 H GLN 16 H GLN 16 87.033 -5.278 -8.890 127 HA GLN 16 HA GLN 16 88.349 -7.564 -9.663 128 HB2 GLN 16 HB2 GLN 16 89.221 -4.981 -8.460 129 HB3 GLN 16 HB1 GLN 16 90.407 -6.282 -8.539 130 HG2 GLN 16 HG2 GLN 16 89.966 -6.522 -10.964 131 HG3 GLN 16 HG1 GLN 16 88.807 -5.196 -10.876 132 HE21 GLN 16 HE21 GLN 16 92.253 -5.858 -10.003 133 HE22 GLN 16 HE22 GLN 16 92.805 -4.314 -10.442 134 H CYS 17 H CYS 17 88.598 -6.176 -6.356 135 HA CYS 17 HA CYS 17 89.005 -8.941 -5.369 136 HB2 CYS 17 HB2 CYS 17 90.214 -6.756 -3.786 137 HB3 CYS 17 HB1 CYS 17 90.851 -8.346 -4.183 138 H HIS 18 H HSD 18 86.436 -8.056 -5.418 139 HA HIS 18 HA HSD 18 85.817 -7.958 -2.581 140 HB2 HIS 18 HB2 HSD 18 85.254 -5.641 -4.407 141 HB3 HIS 18 HB1 HSD 18 84.163 -5.996 -3.071 142 HD1 HIS 18 HD1 HSD 18 85.120 -5.763 -0.645 143 HD2 HIS 18 HD2 HSD 18 87.779 -4.631 -3.642 144 HE1 HIS 18 HE1 HSD 18 86.997 -4.502 0.502 145 H THR 19 H THR 19 83.209 -7.567 -2.516 146 HA THR 19 HA THR 19 81.945 -9.160 -4.639 147 HB THR 19 HB THR 19 80.853 -10.097 -2.193 148 HG1 THR 19 HG1 THR 19 83.180 -11.050 -1.721 149 HG21 THR 19 HG21 THR 19 81.096 -11.322 -4.355 150 HG22 THR 19 HG22 THR 19 81.688 -12.247 -2.975 151 HG23 THR 19 HG23 THR 19 82.830 -11.446 -4.054 152 H VAL 20 H VAL 20 81.556 -7.266 -1.675 153 HA VAL 20 HA VAL 20 79.809 -6.000 -0.888 154 HB VAL 20 HB VAL 20 79.150 -4.234 -2.378 155 HG11 VAL 20 HG11 VAL 20 81.976 -5.182 -2.948 156 HG12 VAL 20 HG12 VAL 20 81.470 -4.174 -1.594 157 HG13 VAL 20 HG13 VAL 20 81.381 -3.548 -3.238 158 HG21 VAL 20 HG21 VAL 20 80.390 -5.770 -4.661 159 HG22 VAL 20 HG22 VAL 20 79.396 -4.320 -4.741 160 HG23 VAL 20 HG23 VAL 20 78.667 -5.864 -4.309 161 H GLU 21 H GLU 21 79.075 -8.723 -1.842 162 HA GLU 21 HA GLU 21 76.214 -8.196 -2.412 163 HB2 GLU 21 HB2 GLU 21 76.255 -10.573 -3.373 164 HB3 GLU 21 HB3 GLU 21 77.018 -9.307 -4.334 165 HG2 GLU 21 HG2 GLU 21 79.180 -10.038 -3.824 166 HG3 GLU 21 HG3 GLU 21 78.666 -10.867 -2.362 167 H LYS 22 H LYS 22 75.212 -8.376 -0.503 168 HA LYS 22 HA LYS 22 76.023 -9.773 1.740 169 HB2 LYS 22 HB2 LYS 22 73.921 -8.169 1.170 170 HB3 LYS 22 HB3 LYS 22 73.103 -9.728 1.273 171 HG2 LYS 22 HG2 LYS 22 74.498 -10.031 3.469 172 HG3 LYS 22 HG3 LYS 22 74.675 -8.277 3.392 173 HD2 LYS 22 HD2 LYS 22 72.134 -8.188 3.111 174 HD3 LYS 22 HD3 LYS 22 72.131 -9.882 3.598 175 HE2 LYS 22 HE2 LYS 22 71.788 -8.630 5.607 176 HE3 LYS 22 HE3 LYS 22 73.471 -9.157 5.647 177 HZ1 LYS 22 HZ1 LYS 22 74.236 -7.068 5.278 178 HZ2 LYS 22 HZ2 LYS 22 72.788 -6.664 6.069 179 HZ3 LYS 22 HZ3 LYS 22 72.882 -6.594 4.374 180 H GLY 23 H GLY 23 76.482 -11.858 1.946 181 HA2 GLY 23 HA2 GLY 23 75.827 -14.117 2.176 182 HA3 GLY 23 HA3 GLY 23 74.550 -13.853 0.995 183 H GLY 24 H GLY 24 77.619 -12.562 0.169 184 HA2 GLY 24 HA2 GLY 24 77.900 -14.577 -1.944 185 HA3 GLY 24 HA3 GLY 24 78.744 -13.036 -1.855 186 H LYS 25 H LYS 25 80.821 -13.740 -2.043 187 HA LYS 25 HA LYS 25 81.939 -15.124 0.278 188 HB2 LYS 25 HB2 LYS 25 83.294 -16.592 -1.320 189 HB3 LYS 25 HB3 LYS 25 81.601 -17.024 -1.094 190 HG2 LYS 25 HG2 LYS 25 82.131 -15.087 -3.283 191 HG3 LYS 25 HG3 LYS 25 82.760 -16.712 -3.545 192 HD2 LYS 25 HD2 LYS 25 80.613 -17.697 -3.367 193 HD3 LYS 25 HD3 LYS 25 79.920 -16.253 -2.628 194 HE2 LYS 25 HE2 LYS 25 79.319 -16.562 -5.062 195 HE3 LYS 25 HE3 LYS 25 80.095 -15.022 -4.695 196 HZ1 LYS 25 HZ1 LYS 25 81.966 -15.594 -5.790 197 HZ2 LYS 25 HZ2 LYS 25 80.903 -16.604 -6.649 198 HZ3 LYS 25 HZ3 LYS 25 81.851 -17.238 -5.389 199 H HIS 26 H HIS 26 83.660 -14.015 0.927 200 HA HIS 26 HA HIS 26 84.731 -11.809 -0.380 201 HB2 HIS 26 HB2 HIS 26 86.800 -12.419 1.170 202 HB3 HIS 26 HB1 HIS 26 85.287 -11.834 1.859 203 HD1 HIS 26 HD1 HIS 26 85.913 -15.335 0.533 204 HD2 HIS 26 HD2 HIS 26 85.202 -13.412 4.164 205 HE1 HIS 26 HE1 HIS 26 85.590 -17.160 2.259 206 HE2 HIS 26 HE2 HIS 26 85.155 -16.004 4.478 207 H LYS 27 H LYS 27 85.956 -11.597 -2.107 208 HA LYS 27 HA LYS 27 87.644 -13.876 -2.967 209 HB2 LYS 27 HB2 LYS 27 85.706 -13.257 -4.475 210 HB3 LYS 27 HB3 LYS 27 86.505 -11.707 -4.741 211 HG2 LYS 27 HG2 LYS 27 88.582 -13.085 -5.393 212 HG3 LYS 27 HG3 LYS 27 87.488 -14.465 -5.485 213 HD2 LYS 27 HD2 LYS 27 87.133 -11.865 -7.006 214 HD3 LYS 27 HD3 LYS 27 87.772 -13.359 -7.692 215 HE2 LYS 27 HE2 LYS 27 85.587 -14.456 -6.867 216 HE3 LYS 27 HE3 LYS 27 84.983 -12.810 -6.677 217 HZ1 LYS 27 HZ1 LYS 27 84.911 -14.245 -8.966 218 HZ2 LYS 27 HZ2 LYS 27 86.290 -13.279 -9.195 219 HZ3 LYS 27 HZ3 LYS 27 84.789 -12.555 -8.870 220 H THR 28 H THR 28 89.545 -13.274 -1.967 221 HA THR 28 HA THR 28 91.518 -12.140 -1.665 222 HB THR 28 HB THR 28 90.794 -10.673 -4.210 223 HG1 THR 28 HG1 THR 28 92.247 -12.564 -4.943 224 HG21 THR 28 HG21 THR 28 93.406 -11.030 -4.399 225 HG22 THR 28 HG22 THR 28 93.306 -11.172 -2.645 226 HG23 THR 28 HG23 THR 28 92.760 -9.697 -3.442 227 H GLY 29 H GLY 29 88.942 -11.084 -0.648 228 HA2 GLY 29 HA2 GLY 29 89.849 -8.730 0.567 229 HA3 GLY 29 HA3 GLY 29 88.838 -8.268 -0.799 230 HA PRO 30 HA PRO 30 86.306 -9.698 3.016 231 HB2 PRO 30 HB2 PRO 30 85.818 -7.311 4.254 232 HB3 PRO 30 HB1 PRO 30 87.211 -8.338 4.649 233 HG2 PRO 30 HG2 PRO 30 87.082 -5.905 2.929 234 HG3 PRO 30 HG1 PRO 30 88.319 -6.393 4.101 235 HD2 PRO 30 HD2 PRO 30 88.625 -6.729 1.401 236 HD3 PRO 30 HD1 PRO 30 89.381 -7.801 2.601 237 H ASN 31 H ASN 31 84.010 -9.113 3.437 238 HA ASN 31 HA ASN 31 82.756 -8.058 0.996 239 HB2 ASN 31 HB2 ASN 31 80.762 -9.172 1.722 240 HB3 ASN 31 HB1 ASN 31 82.097 -10.300 1.945 241 HD21 ASN 31 HD21 ASN 31 82.550 -11.015 4.080 242 HD22 ASN 31 HD22 ASN 31 81.689 -10.484 5.443 243 H LEU 32 H LEU 32 82.043 -6.057 0.948 244 HA LEU 32 HA LEU 32 81.952 -4.418 3.307 245 HB2 LEU 32 HB2 LEU 32 80.884 -3.639 0.599 246 HB3 LEU 32 HB3 LEU 32 81.564 -2.603 1.851 247 HG LEU 32 HG LEU 32 83.026 -4.563 0.068 248 HD11 LEU 32 HD11 LEU 32 82.893 -2.467 -1.000 249 HD12 LEU 32 HD12 LEU 32 84.453 -2.400 -0.185 250 HD13 LEU 32 HD13 LEU 32 83.060 -1.578 0.513 251 HD21 LEU 32 HD21 LEU 32 84.039 -4.973 2.164 252 HD22 LEU 32 HD22 LEU 32 83.863 -3.296 2.675 253 HD23 LEU 32 HD23 LEU 32 85.055 -3.722 1.451 254 H HIS 33 H HIS 33 80.108 -6.642 3.354 255 HA HIS 33 HA HIS 33 77.455 -5.873 2.752 256 HB2 HIS 33 HB2 HIS 33 78.478 -7.727 4.922 257 HB3 HIS 33 HB1 HIS 33 76.799 -7.610 4.394 258 HD1 HIS 33 HD1 HIS 33 78.249 -10.284 4.064 259 HD2 HIS 33 HD2 HIS 33 78.175 -7.357 1.094 260 HE1 HIS 33 HE1 HIS 33 78.687 -11.476 1.873 261 HE2 HIS 33 HE2 HIS 33 78.643 -9.708 0.053 262 H GLY 34 H GLY 34 75.909 -4.763 3.929 263 HA2 GLY 34 HA2 GLY 34 75.299 -2.952 5.278 264 HA3 GLY 34 HA3 GLY 34 75.664 -4.133 6.534 265 H LEU 35 H LEU 35 78.072 -2.860 4.361 266 HA LEU 35 HA LEU 35 80.003 -2.264 6.214 267 HB2 LEU 35 HB2 LEU 35 80.463 -2.316 3.842 268 HB3 LEU 35 HB3 LEU 35 79.410 -0.935 3.564 269 HG LEU 35 HG LEU 35 81.099 0.156 5.382 270 HD11 LEU 35 HD11 LEU 35 82.352 -2.110 5.335 271 HD12 LEU 35 HD12 LEU 35 83.311 -0.637 5.189 272 HD13 LEU 35 HD13 LEU 35 82.934 -1.588 3.755 273 HD21 LEU 35 HD21 LEU 35 81.807 -0.097 2.450 274 HD22 LEU 35 HD22 LEU 35 82.198 1.242 3.529 275 HD23 LEU 35 HD23 LEU 35 80.525 0.952 3.053 276 H PHE 36 H PHE 36 77.821 0.137 4.733 277 HA PHE 36 HA PHE 36 78.593 2.341 6.224 278 HB2 PHE 36 HB2 PHE 36 75.760 1.788 5.320 279 HB3 PHE 36 HB1 PHE 36 76.516 3.360 5.576 280 HD1 PHE 36 HD2 PHE 36 76.583 0.301 3.454 281 HD2 PHE 36 HD1 PHE 36 77.881 4.378 3.885 282 HE1 PHE 36 HE2 PHE 36 77.413 0.286 1.121 283 HE2 PHE 36 HE1 PHE 36 78.701 4.360 1.556 284 HZ PHE 36 HZ PHE 36 78.470 2.318 0.167 285 H GLY 37 H GLY 37 78.954 1.866 8.409 286 HA2 GLY 37 HA2 GLY 37 77.422 2.544 10.385 287 HA3 GLY 37 HA3 GLY 37 76.605 1.039 9.995 288 H ARG 38 H ARG 38 79.249 -0.246 9.295 289 HA ARG 38 HA ARG 38 79.881 -1.064 12.026 290 HB2 ARG 38 HB2 ARG 38 80.281 -2.174 9.309 291 HB3 ARG 38 HB3 ARG 38 81.531 -2.564 10.489 292 HG2 ARG 38 HG2 ARG 38 79.659 -3.280 12.061 293 HG3 ARG 38 HG3 ARG 38 78.564 -3.136 10.688 294 HD2 ARG 38 HD2 ARG 38 81.006 -4.684 10.110 295 HD3 ARG 38 HD3 ARG 38 79.974 -5.412 11.333 296 HE ARG 38 HE ARG 38 78.136 -4.978 9.529 297 HH11 ARG 38 HH21 ARG 38 81.446 -5.895 8.976 298 HH12 ARG 38 HH22 ARG 38 81.102 -6.725 7.497 299 HH21 ARG 38 HH11 ARG 38 77.699 -6.085 7.606 300 HH22 ARG 38 HH12 ARG 38 78.987 -6.843 6.730 301 H LYS 39 H LYS 39 81.923 -1.038 12.961 302 HA LYS 39 HA LYS 39 83.530 1.249 12.389 303 HB2 LYS 39 HB2 LYS 39 83.593 -0.992 14.353 304 HB3 LYS 39 HB3 LYS 39 85.076 -0.072 14.109 305 HG2 LYS 39 HG2 LYS 39 82.512 1.437 14.498 306 HG3 LYS 39 HG3 LYS 39 83.275 0.701 15.907 307 HD2 LYS 39 HD2 LYS 39 85.400 1.868 15.334 308 HD3 LYS 39 HD3 LYS 39 84.577 2.659 13.990 309 HE2 LYS 39 HE2 LYS 39 83.115 3.847 15.454 310 HE3 LYS 39 HE3 LYS 39 83.572 2.849 16.834 311 HZ1 LYS 39 HZ1 LYS 39 85.675 3.827 16.934 312 HZ2 LYS 39 HZ2 LYS 39 84.623 5.133 16.661 313 HZ3 LYS 39 HZ3 LYS 39 85.548 4.502 15.383 314 H THR 40 H THR 40 85.969 1.052 12.172 315 HA THR 40 HA THR 40 86.586 -0.292 9.759 316 HB THR 40 HB THR 40 88.981 0.393 10.394 317 HG1 THR 40 HG1 THR 40 87.507 1.745 12.400 318 HG21 THR 40 HG21 THR 40 88.257 2.902 10.208 319 HG22 THR 40 HG22 THR 40 86.638 2.234 10.008 320 HG23 THR 40 HG23 THR 40 87.913 1.808 8.869 321 H GLY 41 H GLY 41 87.786 -2.078 9.306 322 HA2 GLY 41 HA2 GLY 41 88.398 -4.275 9.618 323 HA3 GLY 41 HA3 GLY 41 89.421 -3.595 10.881 324 H GLN 42 H GLN 42 85.896 -4.031 10.568 325 HA GLN 42 HA GLN 42 85.926 -5.439 13.177 326 HB2 GLN 42 HB2 GLN 42 84.773 -3.192 13.099 327 HB3 GLN 42 HB1 GLN 42 83.606 -3.912 11.988 328 HG2 GLN 42 HG2 GLN 42 82.992 -5.586 13.651 329 HG3 GLN 42 HG1 GLN 42 84.233 -4.990 14.751 330 HE21 GLN 42 HE21 GLN 42 81.296 -3.840 13.003 331 HE22 GLN 42 HE22 GLN 42 80.833 -2.743 14.212 332 H ALA 43 H ALA 43 85.093 -5.638 9.843 333 HA ALA 43 HA ALA 43 83.029 -7.564 9.991 334 HB1 ALA 43 HB1 ALA 43 84.502 -7.998 7.609 335 HB2 ALA 43 HB2 ALA 43 84.578 -6.269 7.947 336 HB3 ALA 43 HB3 ALA 43 83.015 -7.069 7.801 337 HA PRO 44 HA PRO 44 85.719 -10.950 11.223 338 HB2 PRO 44 HB2 PRO 44 83.819 -12.850 11.542 339 HB3 PRO 44 HB1 PRO 44 84.004 -11.505 12.686 340 HG2 PRO 44 HG2 PRO 44 82.027 -11.856 10.483 341 HG3 PRO 44 HG1 PRO 44 81.792 -11.206 12.115 342 HD2 PRO 44 HD2 PRO 44 82.097 -9.634 9.857 343 HD3 PRO 44 HD1 PRO 44 82.473 -9.091 11.509 344 H GLY 45 H GLY 45 86.976 -11.896 9.695 345 HA2 GLY 45 HA2 GLY 45 86.443 -14.074 8.197 346 HA3 GLY 45 HA3 GLY 45 85.859 -12.776 7.164 347 H PHE 46 H PHE 46 87.391 -11.105 6.527 348 HA PHE 46 HA PHE 46 89.890 -12.216 5.711 349 HB2 PHE 46 HB2 PHE 46 88.521 -10.465 4.475 350 HB3 PHE 46 HB1 PHE 46 89.125 -9.296 5.648 351 HD1 PHE 46 HD1 PHE 46 90.163 -11.754 3.054 352 HD2 PHE 46 HD2 PHE 46 91.345 -8.436 5.512 353 HE1 PHE 46 HE1 PHE 46 92.272 -11.552 1.766 354 HE2 PHE 46 HE2 PHE 46 93.455 -8.234 4.225 355 HZ PHE 46 HZ PHE 46 93.919 -9.792 2.352 356 H THR 47 H THR 47 91.993 -11.538 6.269 357 HA THR 47 HA THR 47 92.349 -11.000 9.070 358 HB THR 47 HB THR 47 94.493 -10.996 6.947 359 HG1 THR 47 HG1 THR 47 94.364 -13.104 6.875 360 HG21 THR 47 HG21 THR 47 95.847 -11.861 8.852 361 HG22 THR 47 HG22 THR 47 94.443 -11.663 9.902 362 HG23 THR 47 HG23 THR 47 95.196 -10.251 9.160 363 H TYR 48 H TYR 48 91.354 -8.933 9.272 364 HA TYR 48 HA TYR 48 92.097 -6.642 7.810 365 HB2 TYR 48 HB2 TYR 48 90.734 -7.167 10.408 366 HB3 TYR 48 HB3 TYR 48 91.307 -5.530 10.104 367 HD1 TYR 48 HD2 TYR 48 90.801 -4.626 7.663 368 HD2 TYR 48 HD1 TYR 48 88.596 -7.732 9.640 369 HE1 TYR 48 HE2 TYR 48 88.862 -4.184 6.189 370 HE2 TYR 48 HE1 TYR 48 86.653 -7.290 8.165 371 HH TYR 48 HH TYR 48 86.259 -4.558 6.422 372 H THR 49 H THR 49 93.426 -4.889 8.369 373 HA THR 49 HA THR 49 95.890 -5.674 9.709 374 HB THR 49 HB THR 49 96.724 -3.491 8.910 375 HG1 THR 49 HG1 THR 49 95.035 -2.159 8.923 376 HG21 THR 49 HG21 THR 49 96.216 -3.931 6.410 377 HG22 THR 49 HG22 THR 49 95.282 -5.312 6.986 378 HG23 THR 49 HG23 THR 49 97.011 -5.214 7.322 379 H ASP 50 H ASP 50 96.868 -4.350 11.377 380 HA ASP 50 HA ASP 50 95.237 -3.874 13.580 381 HB2 ASP 50 HB2 ASP 50 97.251 -2.366 14.297 382 HB3 ASP 50 HB1 ASP 50 97.497 -4.100 14.096 383 H ALA 51 H ALA 51 96.519 -1.544 11.217 384 HA ALA 51 HA ALA 51 95.560 0.809 12.322 385 HB1 ALA 51 HB1 ALA 51 97.025 0.651 10.317 386 HB2 ALA 51 HB2 ALA 51 95.663 1.747 10.091 387 HB3 ALA 51 HB3 ALA 51 95.626 0.137 9.373 388 H ASN 52 H ASN 52 93.859 -1.539 10.282 389 HA ASN 52 HA ASN 52 91.424 0.031 10.270 390 HB2 ASN 52 HB2 ASN 52 92.460 -1.981 8.660 391 HB3 ASN 52 HB1 ASN 52 91.176 -2.803 9.537 392 HD21 ASN 52 HD21 ASN 52 90.182 -2.844 7.248 393 HD22 ASN 52 HD22 ASN 52 89.273 -1.493 6.770 394 H LYS 53 H LYS 53 92.857 -2.486 12.165 395 HA LYS 53 HA LYS 53 90.413 -3.253 13.493 396 HB2 LYS 53 HB2 LYS 53 92.672 -4.606 13.017 397 HB3 LYS 53 HB3 LYS 53 93.112 -3.928 14.585 398 HG2 LYS 53 HG2 LYS 53 90.883 -4.766 15.440 399 HG3 LYS 53 HG3 LYS 53 90.725 -5.648 13.921 400 HD2 LYS 53 HD2 LYS 53 92.999 -6.679 14.421 401 HD3 LYS 53 HD3 LYS 53 92.859 -5.991 16.040 402 HE2 LYS 53 HE2 LYS 53 90.744 -7.213 16.382 403 HE3 LYS 53 HE3 LYS 53 90.877 -7.901 14.764 404 HZ1 LYS 53 HZ1 LYS 53 91.714 -9.464 16.349 405 HZ2 LYS 53 HZ2 LYS 53 92.753 -8.305 17.029 406 HZ3 LYS 53 HZ3 LYS 53 93.022 -8.870 15.449 407 H ASN 54 H ASN 54 92.646 -0.755 13.671 408 HA ASN 54 HA ASN 54 92.812 -0.308 16.457 409 HB2 ASN 54 HB2 ASN 54 93.863 1.668 15.892 410 HB3 ASN 54 HB1 ASN 54 94.113 0.738 14.421 411 HD21 ASN 54 HD21 ASN 54 91.416 0.988 13.366 412 HD22 ASN 54 HD22 ASN 54 91.185 2.615 12.942 413 H LYS 55 H LYS 55 90.314 0.111 14.189 414 HA LYS 55 HA LYS 55 88.185 0.994 14.322 415 HB2 LYS 55 HB2 LYS 55 88.750 0.615 17.267 416 HB3 LYS 55 HB3 LYS 55 87.169 1.031 16.608 417 HG2 LYS 55 HG2 LYS 55 87.139 -1.024 15.285 418 HG3 LYS 55 HG3 LYS 55 88.763 -1.432 15.841 419 HD2 LYS 55 HD2 LYS 55 87.832 -1.350 18.214 420 HD3 LYS 55 HD3 LYS 55 86.228 -1.289 17.483 421 HE2 LYS 55 HE2 LYS 55 86.686 -3.402 16.293 422 HE3 LYS 55 HE3 LYS 55 88.288 -3.467 17.028 423 HZ1 LYS 55 HZ1 LYS 55 85.985 -3.161 18.801 424 HZ2 LYS 55 HZ2 LYS 55 87.448 -3.987 19.055 425 HZ3 LYS 55 HZ3 LYS 55 86.232 -4.683 18.094 426 H GLY 56 H GLY 56 89.587 2.963 13.573 427 HA2 GLY 56 HA2 GLY 56 89.705 5.124 15.525 428 HA3 GLY 56 HA3 GLY 56 90.256 5.191 13.854 429 H ILE 57 H ILE 57 87.878 4.289 12.596 430 HA ILE 57 HA ILE 57 85.801 6.193 13.419 431 HB ILE 57 HB ILE 57 85.651 7.213 11.229 432 HG12 ILE 57 HG12 ILE 57 87.670 6.657 9.640 433 HG13 ILE 57 HG13 ILE 57 87.754 5.155 10.558 434 HG21 ILE 57 HG21 ILE 57 88.557 7.204 12.081 435 HG22 ILE 57 HG22 ILE 57 87.294 8.088 12.937 436 HG23 ILE 57 HG23 ILE 57 87.686 8.504 11.269 437 HD11 ILE 57 HD11 ILE 57 85.857 4.329 9.607 438 HD12 ILE 57 HD12 ILE 57 86.170 5.529 8.359 439 HD13 ILE 57 HD13 ILE 57 85.031 5.885 9.652 440 H THR 58 H THR 58 83.896 5.974 11.743 441 HA THR 58 HA THR 58 83.467 3.076 11.333 442 HB THR 58 HB THR 58 81.512 5.283 11.996 443 HG1 THR 58 HG1 THR 58 82.765 3.205 13.353 444 HG21 THR 58 HG21 THR 58 80.381 3.826 10.473 445 HG22 THR 58 HG22 THR 58 79.875 3.336 12.090 446 HG23 THR 58 HG23 THR 58 81.084 2.394 11.222 447 H TRP 59 H TRP 59 82.687 2.328 9.411 448 HA TRP 59 HA TRP 59 83.102 3.867 7.073 449 HB2 TRP 59 HB2 TRP 59 81.310 1.446 7.219 450 HB3 TRP 59 HB1 TRP 59 82.275 2.015 5.856 451 HD1 TRP 59 HD1 TRP 59 85.018 2.478 7.317 452 HE1 TRP 59 HE1 TRP 59 86.399 0.452 8.119 453 HE3 TRP 59 HE3 TRP 59 81.354 -1.063 7.561 454 HZ2 TRP 59 HZ2 TRP 59 85.988 -2.299 8.808 455 HZ3 TRP 59 HZ3 TRP 59 81.874 -3.372 8.284 456 HH2 TRP 59 HH2 TRP 59 84.187 -3.993 8.908 457 H LYS 60 H LYS 60 81.766 5.097 5.876 458 HA LYS 60 HA LYS 60 78.889 5.023 6.218 459 HB2 LYS 60 HB2 LYS 60 80.488 7.473 7.013 460 HB3 LYS 60 HB3 LYS 60 78.739 7.441 6.803 461 HG2 LYS 60 HG2 LYS 60 78.691 5.555 8.514 462 HG3 LYS 60 HG3 LYS 60 80.378 5.946 8.856 463 HD2 LYS 60 HD2 LYS 60 78.056 7.887 9.042 464 HD3 LYS 60 HD3 LYS 60 78.859 7.118 10.413 465 HE2 LYS 60 HE2 LYS 60 80.044 9.102 10.347 466 HE3 LYS 60 HE3 LYS 60 81.030 8.145 9.244 467 HZ1 LYS 60 HZ1 LYS 60 80.608 9.661 7.706 468 HZ2 LYS 60 HZ2 LYS 60 79.505 10.471 8.712 469 HZ3 LYS 60 HZ3 LYS 60 78.978 9.192 7.725 470 H GLU 61 H GLU 61 78.393 7.563 5.055 471 HA GLU 61 HA GLU 61 78.941 6.944 2.309 472 HB2 GLU 61 HB2 GLU 61 76.846 8.071 3.190 473 HB3 GLU 61 HB3 GLU 61 77.816 9.529 3.396 474 HG2 GLU 61 HG2 GLU 61 78.455 9.366 0.970 475 HG3 GLU 61 HG3 GLU 61 77.307 8.038 0.809 476 H GLU 62 H GLU 62 79.761 9.775 4.342 477 HA GLU 62 HA GLU 62 81.593 10.862 2.456 478 HB2 GLU 62 HB2 GLU 62 81.460 11.349 5.440 479 HB3 GLU 62 HB3 GLU 62 82.226 12.388 4.238 480 HG2 GLU 62 HG2 GLU 62 80.084 12.825 3.175 481 HG3 GLU 62 HG3 GLU 62 79.281 11.674 4.242 482 H THR 63 H THR 63 82.114 9.081 5.502 483 HA THR 63 HA THR 63 84.854 9.029 5.603 484 HB THR 63 HB THR 63 84.634 6.826 6.721 485 HG1 THR 63 HG1 THR 63 82.133 6.432 6.865 486 HG21 THR 63 HG21 THR 63 82.409 8.733 7.459 487 HG22 THR 63 HG22 THR 63 84.104 8.983 7.873 488 HG23 THR 63 HG23 THR 63 83.231 7.599 8.531 489 H LEU 64 H LEU 64 82.715 7.101 3.571 490 HA LEU 64 HA LEU 64 84.790 5.453 2.505 491 HB2 LEU 64 HB2 LEU 64 81.916 5.839 2.050 492 HB3 LEU 64 HB3 LEU 64 82.815 5.416 0.600 493 HG LEU 64 HG LEU 64 83.135 3.879 3.183 494 HD11 LEU 64 HD11 LEU 64 81.009 3.164 2.877 495 HD12 LEU 64 HD12 LEU 64 81.633 2.285 1.481 496 HD13 LEU 64 HD13 LEU 64 80.908 3.876 1.269 497 HD21 LEU 64 HD21 LEU 64 84.920 3.368 1.718 498 HD22 LEU 64 HD22 LEU 64 83.897 3.476 0.286 499 HD23 LEU 64 HD23 LEU 64 83.746 2.100 1.375 500 H MET 65 H MET 65 83.362 8.547 1.604 501 HA MET 65 HA MET 65 84.399 8.731 -1.008 502 HB2 MET 65 HB2 MET 65 83.773 10.904 0.999 503 HB3 MET 65 HB1 MET 65 84.136 11.193 -0.702 504 HG2 MET 65 HG2 MET 65 82.213 9.960 -1.415 505 HG3 MET 65 HG1 MET 65 81.937 9.333 0.207 506 HE1 MET 65 HE1 MET 65 82.037 12.190 -2.165 507 HE2 MET 65 HE2 MET 65 80.722 13.247 -1.654 508 HE3 MET 65 HE3 MET 65 80.365 11.612 -2.202 509 H GLU 66 H GLU 66 85.702 10.156 2.003 510 HA GLU 66 HA GLU 66 88.117 11.061 0.872 511 HB2 GLU 66 HB2 GLU 66 87.486 10.211 3.711 512 HB3 GLU 66 HB3 GLU 66 88.956 11.056 3.224 513 HG2 GLU 66 HG2 GLU 66 86.165 12.114 2.711 514 HG3 GLU 66 HG3 GLU 66 87.141 12.569 4.107 515 H TYR 67 H TYR 67 87.073 7.959 2.059 516 HA TYR 67 HA TYR 67 89.699 6.759 2.071 517 HB2 TYR 67 HB2 TYR 67 88.085 5.855 3.584 518 HB3 TYR 67 HB3 TYR 67 86.897 5.667 2.301 519 HD1 TYR 67 HD1 TYR 67 89.977 4.314 3.791 520 HD2 TYR 67 HD2 TYR 67 87.052 3.849 0.679 521 HE1 TYR 67 HE1 TYR 67 90.812 2.021 3.349 522 HE2 TYR 67 HE2 TYR 67 87.890 1.557 0.235 523 HH TYR 67 HH TYR 67 89.483 0.063 0.693 524 H LEU 68 H LEU 68 87.109 7.215 -0.206 525 HA LEU 68 HA LEU 68 88.077 5.217 -2.069 526 HB2 LEU 68 HB2 LEU 68 85.769 7.091 -1.922 527 HB3 LEU 68 HB3 LEU 68 86.292 6.592 -3.524 528 HG LEU 68 HG LEU 68 85.689 4.656 -1.273 529 HD11 LEU 68 HD11 LEU 68 83.583 5.530 -1.742 530 HD12 LEU 68 HD12 LEU 68 83.665 4.190 -2.881 531 HD13 LEU 68 HD13 LEU 68 83.963 5.839 -3.435 532 HD21 LEU 68 HD21 LEU 68 85.386 3.272 -3.574 533 HD22 LEU 68 HD22 LEU 68 86.918 3.367 -2.711 534 HD23 LEU 68 HD23 LEU 68 86.619 4.417 -4.091 535 H GLU 69 H GLU 69 89.156 8.216 -1.230 536 HA GLU 69 HA GLU 69 90.104 8.820 -3.969 537 HB2 GLU 69 HB2 GLU 69 89.974 11.068 -3.518 538 HB3 GLU 69 HB3 GLU 69 88.699 10.501 -2.447 539 HG2 GLU 69 HG2 GLU 69 89.931 11.848 -1.003 540 HG3 GLU 69 HG3 GLU 69 90.653 10.273 -0.696 541 H ASN 70 H ASN 70 90.983 7.607 -0.985 542 HA ASN 70 HA ASN 70 93.702 7.254 -1.684 543 HB2 ASN 70 HB2 ASN 70 93.464 9.780 -0.950 544 HB3 ASN 70 HB1 ASN 70 93.484 9.096 0.671 545 HD21 ASN 70 HD21 ASN 70 95.312 6.949 0.290 546 HD22 ASN 70 HD22 ASN 70 96.833 7.589 -0.103 547 HA PRO 71 HA PRO 71 91.379 4.497 1.414 548 HB2 PRO 71 HB2 PRO 71 93.110 2.650 -0.190 549 HB3 PRO 71 HB1 PRO 71 91.457 2.411 0.405 550 HG2 PRO 71 HG2 PRO 71 91.966 3.027 -2.147 551 HG3 PRO 71 HG1 PRO 71 90.520 3.612 -1.306 552 HD2 PRO 71 HD2 PRO 71 92.935 5.118 -2.146 553 HD3 PRO 71 HD1 PRO 71 91.293 5.711 -1.819 554 H LYS 72 H LYS 72 94.778 4.610 0.392 555 HA LYS 72 HA LYS 72 95.763 3.285 2.737 556 HB2 LYS 72 HB2 LYS 72 96.929 3.291 0.531 557 HB3 LYS 72 HB3 LYS 72 97.280 5.001 0.768 558 HG2 LYS 72 HG2 LYS 72 99.105 4.437 1.971 559 HG3 LYS 72 HG3 LYS 72 98.053 3.693 3.172 560 HD2 LYS 72 HD2 LYS 72 98.946 2.252 0.660 561 HD3 LYS 72 HD3 LYS 72 99.832 2.164 2.182 562 HE2 LYS 72 HE2 LYS 72 96.936 1.359 1.766 563 HE3 LYS 72 HE3 LYS 72 98.295 0.259 1.989 564 HZ1 LYS 72 HZ1 LYS 72 97.067 2.100 3.936 565 HZ2 LYS 72 HZ2 LYS 72 98.673 1.581 4.138 566 HZ3 LYS 72 HZ3 LYS 72 97.408 0.447 4.100 567 H LYS 73 H LYS 73 95.773 6.682 1.655 568 HA LYS 73 HA LYS 73 97.131 7.673 3.918 569 HB2 LYS 73 HB2 LYS 73 96.857 8.870 1.728 570 HB3 LYS 73 HB3 LYS 73 95.192 9.215 2.195 571 HG2 LYS 73 HG2 LYS 73 96.002 10.350 4.238 572 HG3 LYS 73 HG3 LYS 73 97.665 10.019 3.755 573 HD2 LYS 73 HD2 LYS 73 97.416 12.166 2.909 574 HD3 LYS 73 HD3 LYS 73 96.909 11.221 1.510 575 HE2 LYS 73 HE2 LYS 73 95.295 13.018 1.942 576 HE3 LYS 73 HE3 LYS 73 94.545 11.449 2.236 577 HZ1 LYS 73 HZ1 LYS 73 95.875 12.666 4.510 578 HZ2 LYS 73 HZ2 LYS 73 94.400 11.827 4.432 579 HZ3 LYS 73 HZ3 LYS 73 94.477 13.460 3.972 580 H TYR 74 H TYR 74 93.754 6.924 3.377 581 HA TYR 74 HA TYR 74 92.707 8.501 5.497 582 HB2 TYR 74 HB2 TYR 74 91.519 7.220 3.502 583 HB3 TYR 74 HB3 TYR 74 91.383 5.940 4.703 584 HD1 TYR 74 HD1 TYR 74 90.969 9.673 4.524 585 HD2 TYR 74 HD2 TYR 74 89.439 5.941 6.004 586 HE1 TYR 74 HE1 TYR 74 89.064 10.867 5.570 587 HE2 TYR 74 HE2 TYR 74 87.538 7.135 7.049 588 HH TYR 74 HH TYR 74 87.274 9.779 7.906 589 H ILE 75 H ILE 75 93.329 4.984 5.336 590 HA ILE 75 HA ILE 75 93.772 5.027 8.264 591 HB ILE 75 HB ILE 75 92.686 2.645 6.769 592 HG12 ILE 75 HG12 ILE 75 91.168 4.927 8.070 593 HG13 ILE 75 HG13 ILE 75 91.110 4.449 6.375 594 HG21 ILE 75 HG21 ILE 75 92.089 1.872 8.945 595 HG22 ILE 75 HG22 ILE 75 92.346 3.463 9.662 596 HG23 ILE 75 HG23 ILE 75 93.723 2.510 9.111 597 HD11 ILE 75 HD11 ILE 75 90.285 2.179 7.162 598 HD12 ILE 75 HD12 ILE 75 89.161 3.516 7.402 599 HD13 ILE 75 HD13 ILE 75 90.098 2.895 8.762 600 HA PRO 76 HA PRO 76 97.675 3.852 5.867 601 HB2 PRO 76 HB2 PRO 76 98.558 4.681 8.615 602 HB3 PRO 76 HB1 PRO 76 99.337 4.978 7.047 603 HG2 PRO 76 HG2 PRO 76 97.928 6.875 8.285 604 HG3 PRO 76 HG1 PRO 76 97.926 6.712 6.520 605 HD2 PRO 76 HD2 PRO 76 95.759 6.104 8.452 606 HD3 PRO 76 HD1 PRO 76 95.653 6.473 6.718 607 H GLY 77 H GLY 77 98.159 1.740 5.792 608 HA2 GLY 77 HA2 GLY 77 99.211 -0.139 6.998 609 HA3 GLY 77 HA3 GLY 77 98.055 0.150 8.294 610 H THR 78 H THR 78 95.915 0.729 6.286 611 HA THR 78 HA THR 78 94.677 -1.767 6.186 612 HB THR 78 HB THR 78 93.523 0.420 5.888 613 HG1 THR 78 HG1 THR 78 92.881 -1.806 4.963 614 HG21 THR 78 HG21 THR 78 93.649 1.591 3.816 615 HG22 THR 78 HG22 THR 78 94.541 0.276 3.049 616 HG23 THR 78 HG23 THR 78 95.316 1.263 4.289 617 H LYS 79 H LYS 79 94.606 -3.416 4.701 618 HA LYS 79 HA LYS 79 96.768 -3.436 2.738 619 HB2 LYS 79 HB2 LYS 79 95.803 -5.366 4.398 620 HB3 LYS 79 HB3 LYS 79 94.948 -5.768 2.913 621 HG2 LYS 79 HG2 LYS 79 96.927 -6.973 2.644 622 HG3 LYS 79 HG3 LYS 79 97.318 -5.475 1.799 623 HD2 LYS 79 HD2 LYS 79 98.432 -4.609 3.813 624 HD3 LYS 79 HD3 LYS 79 98.012 -6.080 4.690 625 HE2 LYS 79 HE2 LYS 79 99.376 -7.426 3.205 626 HE3 LYS 79 HE3 LYS 79 99.683 -6.037 2.162 627 HZ1 LYS 79 HZ1 LYS 79 100.624 -4.969 4.264 628 HZ2 LYS 79 HZ2 LYS 79 101.559 -6.164 3.497 629 HZ3 LYS 79 HZ3 LYS 79 100.673 -6.542 4.896 630 H MET 80 H MET 80 96.058 -2.034 1.128 631 HA MET 80 HA MET 80 94.485 -3.183 -0.925 632 HB2 MET 80 HB2 MET 80 92.574 -2.607 0.473 633 HB3 MET 80 HB1 MET 80 93.156 -0.949 0.630 634 HG2 MET 80 HG2 MET 80 92.858 -0.546 -1.737 635 HG3 MET 80 HG1 MET 80 92.501 -2.247 -2.030 636 HE1 MET 80 HE1 MET 80 90.562 -0.419 -3.296 637 HE2 MET 80 HE2 MET 80 91.074 0.892 -2.239 638 HE3 MET 80 HE3 MET 80 89.374 0.439 -2.305 639 H ILE 81 H ILE 81 96.175 -2.604 -2.239 640 HA ILE 81 HA ILE 81 96.741 0.284 -2.530 641 HB ILE 81 HB ILE 81 98.374 -2.187 -3.120 642 HG12 ILE 81 HG12 ILE 81 100.038 -0.945 -1.743 643 HG13 ILE 81 HG13 ILE 81 98.869 0.358 -1.537 644 HG21 ILE 81 HG21 ILE 81 98.656 0.611 -4.221 645 HG22 ILE 81 HG22 ILE 81 98.746 -0.922 -5.086 646 HG23 ILE 81 HG23 ILE 81 100.061 -0.435 -4.017 647 HD11 ILE 81 HD11 ILE 81 99.117 -1.633 0.249 648 HD12 ILE 81 HD12 ILE 81 97.956 -2.396 -0.836 649 HD13 ILE 81 HD13 ILE 81 97.571 -0.852 -0.073 650 H PHE 82 H PHE 82 95.190 0.953 -3.950 651 HA PHE 82 HA PHE 82 95.391 -0.087 -6.682 652 HB2 PHE 82 HB2 PHE 82 93.495 -1.263 -5.411 653 HB3 PHE 82 HB1 PHE 82 92.679 0.301 -5.418 654 HD1 PHE 82 HD2 PHE 82 94.373 -2.131 -7.708 655 HD2 PHE 82 HD1 PHE 82 91.407 0.947 -7.284 656 HE1 PHE 82 HE2 PHE 82 93.617 -2.541 -10.034 657 HE2 PHE 82 HE1 PHE 82 90.650 0.538 -9.610 658 HZ PHE 82 HZ PHE 82 91.755 -1.205 -10.986 659 H ALA 83 H ALA 83 93.846 1.324 -8.124 660 HA ALA 83 HA ALA 83 94.696 4.047 -7.762 661 HB1 ALA 83 HB1 ALA 83 93.805 4.443 -9.915 662 HB2 ALA 83 HB2 ALA 83 92.685 3.086 -9.792 663 HB3 ALA 83 HB3 ALA 83 94.413 2.789 -9.983 664 H GLY 84 H GLY 84 93.719 5.303 -6.298 665 HA2 GLY 84 HA2 GLY 84 91.133 4.927 -5.249 666 HA3 GLY 84 HA3 GLY 84 92.067 6.416 -5.142 667 H ILE 85 H ILE 85 89.914 7.430 -5.391 668 HA ILE 85 HA ILE 85 88.925 7.405 -8.174 669 HB ILE 85 HB ILE 85 87.653 8.377 -5.607 670 HG12 ILE 85 HG12 ILE 85 87.851 5.828 -6.326 671 HG13 ILE 85 HG13 ILE 85 86.338 6.456 -5.685 672 HG21 ILE 85 HG21 ILE 85 85.629 8.562 -7.218 673 HG22 ILE 85 HG22 ILE 85 86.838 8.605 -8.497 674 HG23 ILE 85 HG23 ILE 85 86.833 9.850 -7.249 675 HD11 ILE 85 HD11 ILE 85 86.875 6.501 -8.648 676 HD12 ILE 85 HD12 ILE 85 85.328 6.563 -7.805 677 HD13 ILE 85 HD13 ILE 85 86.241 5.055 -7.864 678 H LYS 86 H LYS 86 88.347 9.487 -9.145 679 HA LYS 86 HA LYS 86 90.295 11.560 -8.382 680 HB2 LYS 86 HB2 LYS 86 89.999 10.413 -10.774 681 HB3 LYS 86 HB3 LYS 86 88.798 11.689 -10.959 682 HG2 LYS 86 HG2 LYS 86 90.721 12.778 -11.706 683 HG3 LYS 86 HG3 LYS 86 90.714 13.233 -10.003 684 HD2 LYS 86 HD2 LYS 86 92.907 12.490 -10.240 685 HD3 LYS 86 HD3 LYS 86 92.116 11.003 -9.721 686 HE2 LYS 86 HE2 LYS 86 93.356 10.313 -11.596 687 HE3 LYS 86 HE3 LYS 86 91.750 10.585 -12.269 688 HZ1 LYS 86 HZ1 LYS 86 92.621 12.077 -13.626 689 HZ2 LYS 86 HZ2 LYS 86 94.161 11.845 -12.948 690 HZ3 LYS 86 HZ3 LYS 86 93.113 13.016 -12.304 691 H LYS 87 H LYS 87 87.097 11.652 -9.992 692 HA LYS 87 HA LYS 87 86.551 14.250 -8.873 693 HB2 LYS 87 HB2 LYS 87 84.824 12.363 -10.483 694 HB3 LYS 87 HB3 LYS 87 84.384 14.017 -10.059 695 HG2 LYS 87 HG2 LYS 87 86.318 14.884 -11.269 696 HG3 LYS 87 HG3 LYS 87 86.865 13.243 -11.621 697 HD2 LYS 87 HD2 LYS 87 84.823 12.821 -12.920 698 HD3 LYS 87 HD3 LYS 87 84.234 14.441 -12.542 699 HE2 LYS 87 HE2 LYS 87 86.146 15.437 -13.707 700 HE3 LYS 87 HE3 LYS 87 86.799 13.832 -14.042 701 HZ1 LYS 87 HZ1 LYS 87 84.465 15.172 -15.206 702 HZ2 LYS 87 HZ2 LYS 87 84.443 13.478 -15.072 703 HZ3 LYS 87 HZ3 LYS 87 85.668 14.246 -15.964 704 H LYS 88 H LYS 88 84.620 14.772 -7.651 705 HA LYS 88 HA LYS 88 84.324 13.102 -5.350 706 HB2 LYS 88 HB2 LYS 88 84.141 15.631 -5.396 707 HB3 LYS 88 HB3 LYS 88 82.552 15.419 -6.129 708 HG2 LYS 88 HG2 LYS 88 82.051 13.847 -4.134 709 HG3 LYS 88 HG3 LYS 88 83.476 14.565 -3.384 710 HD2 LYS 88 HD2 LYS 88 81.838 16.007 -2.597 711 HD3 LYS 88 HD3 LYS 88 82.289 16.840 -4.084 712 HE2 LYS 88 HE2 LYS 88 80.428 15.744 -5.272 713 HE3 LYS 88 HE3 LYS 88 79.982 14.890 -3.796 714 HZ1 LYS 88 HZ1 LYS 88 78.650 16.656 -3.511 715 HZ2 LYS 88 HZ2 LYS 88 79.561 17.662 -4.534 716 HZ3 LYS 88 HZ3 LYS 88 80.054 17.407 -2.928 717 H THR 89 H THR 89 82.353 13.771 -8.211 718 HA THR 89 HA THR 89 80.047 12.362 -7.323 719 HB THR 89 HB THR 89 79.445 12.322 -9.752 720 HG1 THR 89 HG1 THR 89 81.042 13.835 -10.898 721 HG21 THR 89 HG21 THR 89 79.232 14.771 -9.940 722 HG22 THR 89 HG22 THR 89 80.428 14.975 -8.659 723 HG23 THR 89 HG23 THR 89 78.868 14.233 -8.300 724 H GLU 90 H GLU 90 83.090 11.368 -8.633 725 HA GLU 90 HA GLU 90 82.253 8.842 -9.654 726 HB2 GLU 90 HB2 GLU 90 84.911 10.006 -8.863 727 HB3 GLU 90 HB3 GLU 90 84.764 8.298 -9.285 728 HG2 GLU 90 HG2 GLU 90 84.058 8.779 -11.483 729 HG3 GLU 90 HG3 GLU 90 83.657 10.449 -11.085 730 H ARG 91 H ARG 91 83.545 9.926 -6.510 731 HA ARG 91 HA ARG 91 83.411 7.267 -5.393 732 HB2 ARG 91 HB2 ARG 91 83.386 9.179 -3.284 733 HB3 ARG 91 HB3 ARG 91 84.732 8.188 -3.828 734 HG2 ARG 91 HG2 ARG 91 85.228 9.929 -5.563 735 HG3 ARG 91 HG3 ARG 91 83.976 10.934 -4.839 736 HD2 ARG 91 HD2 ARG 91 85.239 10.576 -2.616 737 HD3 ARG 91 HD3 ARG 91 86.574 10.010 -3.613 738 HE ARG 91 HE ARG 91 85.693 12.742 -3.308 739 HH11 ARG 91 HH21 ARG 91 87.235 10.434 -5.379 740 HH12 ARG 91 HH22 ARG 91 88.143 11.622 -6.252 741 HH21 ARG 91 HH11 ARG 91 86.881 14.300 -4.451 742 HH22 ARG 91 HH12 ARG 91 87.943 13.809 -5.728 743 H GLU 92 H GLU 92 81.482 10.246 -5.165 744 HA GLU 92 HA GLU 92 79.546 9.379 -3.355 745 HB2 GLU 92 HB2 GLU 92 79.859 11.703 -4.455 746 HB3 GLU 92 HB3 GLU 92 78.857 11.065 -5.759 747 HG2 GLU 92 HG2 GLU 92 77.163 10.411 -3.976 748 HG3 GLU 92 HG3 GLU 92 78.116 11.365 -2.841 749 H ASP 93 H ASP 93 79.466 9.211 -6.924 750 HA ASP 93 HA ASP 93 77.067 7.745 -7.125 751 HB2 ASP 93 HB2 ASP 93 79.461 7.887 -8.972 752 HB3 ASP 93 HB1 ASP 93 77.935 7.111 -9.393 753 H LEU 94 H LEU 94 80.462 6.680 -7.095 754 HA LEU 94 HA LEU 94 80.032 3.925 -7.341 755 HB2 LEU 94 HB2 LEU 94 82.267 4.906 -7.509 756 HB3 LEU 94 HB3 LEU 94 82.184 5.403 -5.822 757 HG LEU 94 HG LEU 94 82.108 3.099 -5.078 758 HD11 LEU 94 HD11 LEU 94 81.821 2.581 -8.025 759 HD12 LEU 94 HD12 LEU 94 80.898 1.907 -6.682 760 HD13 LEU 94 HD13 LEU 94 82.542 1.352 -6.987 761 HD21 LEU 94 HD21 LEU 94 84.339 2.485 -5.603 762 HD22 LEU 94 HD22 LEU 94 84.314 4.241 -5.733 763 HD23 LEU 94 HD23 LEU 94 84.264 3.247 -7.189 764 H ILE 95 H ILE 95 79.855 6.068 -4.583 765 HA ILE 95 HA ILE 95 79.640 3.954 -2.668 766 HB ILE 95 HB ILE 95 79.392 6.936 -2.559 767 HG12 ILE 95 HG12 ILE 95 81.025 5.359 -0.646 768 HG13 ILE 95 HG13 ILE 95 81.502 5.202 -2.330 769 HG21 ILE 95 HG21 ILE 95 77.690 6.491 -1.026 770 HG22 ILE 95 HG22 ILE 95 79.106 6.419 0.022 771 HG23 ILE 95 HG23 ILE 95 78.371 4.930 -0.572 772 HD11 ILE 95 HD11 ILE 95 80.972 7.979 -1.460 773 HD12 ILE 95 HD12 ILE 95 82.288 7.330 -2.436 774 HD13 ILE 95 HD13 ILE 95 82.349 7.205 -0.682 775 H ALA 96 H ALA 96 77.445 5.855 -4.592 776 HA ALA 96 HA ALA 96 75.059 5.316 -3.172 777 HB1 ALA 96 HB1 ALA 96 73.910 5.951 -5.194 778 HB2 ALA 96 HB2 ALA 96 75.346 5.640 -6.168 779 HB3 ALA 96 HB3 ALA 96 75.324 6.994 -5.037 780 H TYR 97 H TYR 97 76.916 3.549 -5.574 781 HA TYR 97 HA TYR 97 74.979 1.450 -5.903 782 HB2 TYR 97 HB2 TYR 97 76.472 1.801 -7.734 783 HB3 TYR 97 HB3 TYR 97 77.887 1.717 -6.685 784 HD1 TYR 97 HD1 TYR 97 75.024 -0.286 -8.001 785 HD2 TYR 97 HD2 TYR 97 78.913 -0.362 -6.180 786 HE1 TYR 97 HE1 TYR 97 75.133 -2.740 -8.336 787 HE2 TYR 97 HE2 TYR 97 79.021 -2.816 -6.515 788 HH TYR 97 HH TYR 97 76.366 -4.570 -8.127 789 H LEU 98 H LEU 98 78.126 1.725 -4.224 790 HA LEU 98 HA LEU 98 78.277 -0.808 -3.128 791 HB2 LEU 98 HB2 LEU 98 79.204 1.884 -2.172 792 HB3 LEU 98 HB3 LEU 98 79.434 0.466 -1.158 793 HG LEU 98 HG LEU 98 80.269 0.330 -4.042 794 HD11 LEU 98 HD11 LEU 98 81.235 2.447 -3.044 795 HD12 LEU 98 HD12 LEU 98 82.432 1.263 -3.560 796 HD13 LEU 98 HD13 LEU 98 82.040 1.432 -1.850 797 HD21 LEU 98 HD21 LEU 98 81.433 -0.809 -1.487 798 HD22 LEU 98 HD22 LEU 98 81.889 -1.249 -3.134 799 HD23 LEU 98 HD23 LEU 98 80.287 -1.661 -2.521 800 H LYS 99 H LYS 99 76.118 1.785 -2.351 801 HA LYS 99 HA LYS 99 75.372 0.777 0.249 802 HB2 LYS 99 HB2 LYS 99 74.393 2.968 -1.552 803 HB3 LYS 99 HB3 LYS 99 73.400 2.449 -0.191 804 HG2 LYS 99 HG2 LYS 99 75.466 2.760 1.275 805 HG3 LYS 99 HG3 LYS 99 76.212 3.566 -0.104 806 HD2 LYS 99 HD2 LYS 99 73.538 4.399 1.049 807 HD3 LYS 99 HD3 LYS 99 75.069 5.113 1.551 808 HE2 LYS 99 HE2 LYS 99 75.497 5.609 -0.915 809 HE3 LYS 99 HE3 LYS 99 73.810 5.181 -1.197 810 HZ1 LYS 99 HZ1 LYS 99 74.678 7.633 -0.521 811 HZ2 LYS 99 HZ2 LYS 99 74.221 7.010 0.992 812 HZ3 LYS 99 HZ3 LYS 99 73.096 7.071 -0.279 813 H LYS 100 H LYS 100 73.736 0.953 -2.921 814 HA LYS 100 HA LYS 100 71.563 -0.717 -2.045 815 HB2 LYS 100 HB2 LYS 100 72.398 0.134 -4.828 816 HB3 LYS 100 HB3 LYS 100 70.874 -0.653 -4.414 817 HG2 LYS 100 HG2 LYS 100 70.491 1.267 -2.769 818 HG3 LYS 100 HG3 LYS 100 71.840 2.083 -3.560 819 HD2 LYS 100 HD2 LYS 100 70.626 1.739 -5.758 820 HD3 LYS 100 HD3 LYS 100 69.232 1.203 -4.821 821 HE2 LYS 100 HE2 LYS 100 70.540 3.925 -4.826 822 HE3 LYS 100 HE3 LYS 100 68.862 3.521 -5.190 823 HZ1 LYS 100 HZ1 LYS 100 68.638 4.212 -3.055 824 HZ2 LYS 100 HZ2 LYS 100 70.208 3.743 -2.604 825 HZ3 LYS 100 HZ3 LYS 100 68.980 2.579 -2.753 826 H ALA 101 H ALA 101 74.719 -1.283 -3.186 827 HA ALA 101 HA ALA 101 74.166 -3.929 -4.266 828 HB1 ALA 101 HB1 ALA 101 76.450 -3.995 -4.875 829 HB2 ALA 101 HB2 ALA 101 76.885 -2.755 -3.697 830 HB3 ALA 101 HB3 ALA 101 75.963 -2.321 -5.136 831 H THR 102 H THR 102 75.351 -2.446 -1.326 832 HA THR 102 HA THR 102 76.150 -5.019 -0.189 833 HB THR 102 HB THR 102 76.758 -3.638 1.795 834 HG1 THR 102 HG1 THR 102 75.516 -1.706 0.196 835 HG21 THR 102 HG21 THR 102 77.789 -2.992 -0.955 836 HG22 THR 102 HG22 THR 102 78.559 -3.923 0.329 837 HG23 THR 102 HG23 THR 102 78.455 -2.167 0.455 838 H ASN 103 H ASN 103 73.350 -3.324 -0.627 839 HA ASN 103 HA ASN 103 72.102 -4.128 1.905 840 HB2 ASN 103 HB2 ASN 103 71.313 -2.345 -0.384 841 HB3 ASN 103 HB1 ASN 103 70.102 -2.935 0.746 842 HD21 ASN 103 HD21 ASN 103 73.414 -2.285 1.786 843 HD22 ASN 103 HD22 ASN 103 73.032 -0.926 2.726 844 H GLU 104 H GLU 104 72.310 -5.010 -1.441 845 HA GLU 104 HA GLU 104 69.990 -6.793 -1.285 846 HB2 GLU 104 HB2 GLU 104 71.909 -6.219 -3.556 847 HB3 GLU 104 HB3 GLU 104 70.459 -7.218 -3.668 848 HG2 GLU 104 HG2 GLU 104 70.332 -4.365 -2.690 849 HG3 GLU 104 HG3 GLU 104 70.256 -4.753 -4.408 850 HHA HEC 201 HA HEC 105 89.522 -3.610 3.133 851 HHB HEC 201 HB HEC 105 85.680 -0.082 -0.437 852 HHC HEC 201 HC HEC 105 88.892 -1.832 -5.600 853 HHD HEC 201 HD HEC 105 92.337 -5.810 -2.084 854 HMA1 HEC 201 HMA1 HEC 105 85.369 -0.500 3.302 855 HMA2 HEC 201 HMA2 HEC 105 84.739 -0.413 1.658 856 HMA3 HEC 201 HMA3 HEC 105 85.905 0.786 2.221 857 HAA1 HEC 201 HAA1 HEC 105 87.324 -0.921 4.448 858 HAA2 HEC 201 HAA2 HEC 105 88.588 -2.131 4.392 859 HBA1 HEC 201 HBA1 HEC 105 87.146 -3.856 4.810 860 HBA2 HEC 201 HBA2 HEC 105 85.816 -3.105 3.938 861 HMB1 HEC 201 HMB1 HEC 105 85.198 1.404 -2.243 862 HMB2 HEC 201 HMB2 HEC 105 84.215 0.019 -2.714 863 HMB3 HEC 201 HMB3 HEC 105 84.888 1.079 -3.945 864 HAB HEC 201 HAB HEC 105 87.360 -0.655 -6.237 865 HBB1 HEC 201 HBB1 HEC 105 87.968 1.569 -6.042 866 HBB2 HEC 201 HBB2 HEC 105 86.282 1.755 -6.519 867 HBB3 HEC 201 HBB3 HEC 105 86.743 1.911 -4.825 868 HMC1 HEC 201 HMC1 HEC 105 89.833 -3.391 -6.952 869 HMC2 HEC 201 HMC2 HEC 105 91.291 -4.374 -6.998 870 HMC3 HEC 201 HMC3 HEC 105 91.409 -2.634 -6.744 871 HAC HEC 201 HAC HEC 105 92.774 -6.212 -4.015 872 HBC1 HEC 201 HBC1 HEC 105 94.439 -5.063 -5.065 873 HBC2 HEC 201 HBC2 HEC 105 93.307 -4.053 -5.962 874 HBC3 HEC 201 HBC3 HEC 105 93.696 -5.671 -6.543 875 HMD1 HEC 201 HMD1 HEC 105 93.582 -6.347 -0.317 876 HMD2 HEC 201 HMD2 HEC 105 92.458 -7.562 0.289 877 HMD3 HEC 201 HMD3 HEC 105 93.432 -6.618 1.414 878 HAD1 HEC 201 HAD1 HEC 105 92.097 -6.384 3.077 879 HAD2 HEC 201 HAD2 HEC 105 90.548 -5.728 3.559 880 HBD1 HEC 201 HBD1 HEC 105 91.769 -3.445 3.653 881 HBD2 HEC 201 HBD2 HEC 105 93.246 -4.404 3.641 882 H1 HOH 301 H2 HOH 200 81.688 3.155 -0.699 883 H2 HOH 301 H1 HOH 200 80.592 2.109 -0.678 884 H1 HOH 302 H2 HOH 201 86.489 5.723 5.184 885 H2 HOH 302 H1 HOH 201 87.215 5.204 6.407 886 H1 HOH 303 H2 HOH 202 83.792 -5.473 5.890 887 H2 HOH 303 H1 HOH 202 83.183 -6.618 5.112 888 H1 HOH 304 H2 HOH 203 82.933 -9.912 -0.075 889 H2 HOH 304 H1 HOH 203 84.389 -9.533 -0.254 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 76.280 9.241 -6.424 2 H2 GLY 1 H2 GLY 1 75.122 8.035 -6.726 3 H3 GLY 1 H3 GLY 1 75.018 8.983 -5.320 4 HA2 GLY 1 HA2 GLY 1 73.643 10.320 -6.410 5 HA3 GLY 1 HA3 GLY 1 75.046 10.810 -7.361 6 H ASP 2 H ASP 2 75.356 8.015 -8.384 7 HA ASP 2 HA ASP 2 72.968 7.684 -10.057 8 HB2 ASP 2 HB2 ASP 2 75.742 8.228 -11.126 9 HB3 ASP 2 HB1 ASP 2 74.434 7.549 -12.094 10 H VAL 3 H VAL 3 72.718 5.753 -8.856 11 HA VAL 3 HA VAL 3 74.493 3.735 -8.364 12 HB VAL 3 HB VAL 3 72.141 3.657 -7.676 13 HG11 VAL 3 HG11 VAL 3 71.212 4.592 -9.790 14 HG12 VAL 3 HG12 VAL 3 70.386 3.116 -9.290 15 HG13 VAL 3 HG13 VAL 3 71.571 3.064 -10.595 16 HG21 VAL 3 HG21 VAL 3 72.804 1.314 -9.484 17 HG22 VAL 3 HG22 VAL 3 71.752 1.292 -8.069 18 HG23 VAL 3 HG23 VAL 3 73.485 1.547 -7.875 19 H GLU 4 H GLU 4 73.402 4.876 -11.423 20 HA GLU 4 HA GLU 4 73.938 2.512 -12.947 21 HB2 GLU 4 HB2 GLU 4 73.727 5.417 -13.773 22 HB3 GLU 4 HB3 GLU 4 73.831 4.060 -14.896 23 HG2 GLU 4 HG2 GLU 4 71.762 3.126 -14.055 24 HG3 GLU 4 HG3 GLU 4 71.691 4.328 -12.768 25 H LYS 5 H LYS 5 75.698 5.622 -12.727 26 HA LYS 5 HA LYS 5 78.021 4.519 -14.014 27 HB2 LYS 5 HB2 LYS 5 77.439 7.139 -12.629 28 HB3 LYS 5 HB3 LYS 5 79.055 6.738 -13.213 29 HG2 LYS 5 HG2 LYS 5 78.311 6.575 -15.471 30 HG3 LYS 5 HG3 LYS 5 76.615 6.565 -14.991 31 HD2 LYS 5 HD2 LYS 5 78.318 8.925 -14.246 32 HD3 LYS 5 HD3 LYS 5 77.731 8.787 -15.902 33 HE2 LYS 5 HE2 LYS 5 75.409 8.542 -15.025 34 HE3 LYS 5 HE3 LYS 5 76.027 8.796 -13.393 35 HZ1 LYS 5 HZ1 LYS 5 75.301 10.882 -14.136 36 HZ2 LYS 5 HZ2 LYS 5 76.025 10.696 -15.662 37 HZ3 LYS 5 HZ3 LYS 5 76.990 10.931 -14.284 38 H GLY 6 H GLY 6 76.804 4.484 -10.843 39 HA2 GLY 6 HA2 GLY 6 79.360 4.285 -9.500 40 HA3 GLY 6 HA3 GLY 6 77.775 3.957 -8.792 41 H LYS 7 H LYS 7 77.015 2.222 -11.009 42 HA LYS 7 HA LYS 7 77.995 -0.260 -9.970 43 HB2 LYS 7 HB2 LYS 7 75.694 -0.030 -10.779 44 HB3 LYS 7 HB3 LYS 7 76.286 0.346 -12.395 45 HG2 LYS 7 HG2 LYS 7 77.539 -2.096 -11.550 46 HG3 LYS 7 HG3 LYS 7 75.810 -2.238 -11.245 47 HD2 LYS 7 HD2 LYS 7 75.290 -1.681 -13.544 48 HD3 LYS 7 HD3 LYS 7 76.980 -1.308 -13.882 49 HE2 LYS 7 HE2 LYS 7 77.623 -3.548 -13.844 50 HE3 LYS 7 HE3 LYS 7 76.253 -4.032 -12.844 51 HZ1 LYS 7 HZ1 LYS 7 75.121 -4.513 -14.665 52 HZ2 LYS 7 HZ2 LYS 7 76.458 -4.090 -15.624 53 HZ3 LYS 7 HZ3 LYS 7 75.287 -2.923 -15.232 54 H LYS 8 H LYS 8 78.457 1.558 -13.022 55 HA LYS 8 HA LYS 8 80.115 -0.443 -14.190 56 HB2 LYS 8 HB2 LYS 8 80.479 1.056 -15.954 57 HB3 LYS 8 HB3 LYS 8 78.869 1.462 -15.373 58 HG2 LYS 8 HG2 LYS 8 79.688 3.593 -15.357 59 HG3 LYS 8 HG3 LYS 8 80.370 3.110 -13.810 60 HD2 LYS 8 HD2 LYS 8 82.251 3.960 -14.914 61 HD3 LYS 8 HD3 LYS 8 82.378 2.239 -15.272 62 HE2 LYS 8 HE2 LYS 8 81.248 2.607 -17.439 63 HE3 LYS 8 HE3 LYS 8 81.121 4.328 -17.079 64 HZ1 LYS 8 HZ1 LYS 8 83.430 4.584 -17.162 65 HZ2 LYS 8 HZ2 LYS 8 83.062 3.599 -18.497 66 HZ3 LYS 8 HZ3 LYS 8 83.718 2.914 -17.088 67 H ILE 9 H ILE 9 80.754 2.287 -12.066 68 HA ILE 9 HA ILE 9 83.608 2.217 -12.398 69 HB ILE 9 HB ILE 9 81.829 3.463 -10.287 70 HG12 ILE 9 HG12 ILE 9 83.556 4.776 -12.399 71 HG13 ILE 9 HG13 ILE 9 81.868 4.364 -12.680 72 HG21 ILE 9 HG21 ILE 9 83.963 4.726 -9.700 73 HG22 ILE 9 HG22 ILE 9 84.837 3.514 -10.638 74 HG23 ILE 9 HG23 ILE 9 83.929 3.034 -9.205 75 HD11 ILE 9 HD11 ILE 9 81.187 5.750 -10.769 76 HD12 ILE 9 HD12 ILE 9 82.115 6.711 -11.922 77 HD13 ILE 9 HD13 ILE 9 82.877 6.137 -10.438 78 H PHE 10 H PHE 10 81.273 0.513 -10.486 79 HA PHE 10 HA PHE 10 83.170 -0.438 -8.526 80 HB2 PHE 10 HB2 PHE 10 81.041 -0.391 -7.616 81 HB3 PHE 10 HB1 PHE 10 80.273 -0.908 -9.118 82 HD1 PHE 10 HD1 PHE 10 80.281 -3.273 -9.795 83 HD2 PHE 10 HD2 PHE 10 81.997 -2.004 -6.074 84 HE1 PHE 10 HE1 PHE 10 80.352 -5.629 -9.031 85 HE2 PHE 10 HE2 PHE 10 82.072 -4.361 -5.305 86 HZ PHE 10 HZ PHE 10 81.250 -6.176 -6.787 87 H VAL 11 H VAL 11 81.360 -1.967 -11.204 88 HA VAL 11 HA VAL 11 82.430 -4.522 -11.013 89 HB VAL 11 HB VAL 11 81.900 -4.750 -13.429 90 HG11 VAL 11 HG11 VAL 11 79.561 -4.569 -13.139 91 HG12 VAL 11 HG12 VAL 11 79.717 -3.199 -12.043 92 HG13 VAL 11 HG13 VAL 11 80.186 -4.812 -11.510 93 HG21 VAL 11 HG21 VAL 11 82.505 -2.635 -14.328 94 HG22 VAL 11 HG22 VAL 11 81.537 -1.769 -13.137 95 HG23 VAL 11 HG23 VAL 11 80.744 -2.677 -14.423 96 H GLN 12 H GLN 12 83.795 -1.629 -12.442 97 HA GLN 12 HA GLN 12 86.025 -3.168 -13.558 98 HB2 GLN 12 HB2 GLN 12 86.662 -1.154 -14.672 99 HB3 GLN 12 HB1 GLN 12 84.915 -1.327 -14.837 100 HG2 GLN 12 HG2 GLN 12 84.667 0.173 -12.815 101 HG3 GLN 12 HG1 GLN 12 86.403 0.473 -12.910 102 HE21 GLN 12 HE21 GLN 12 85.606 0.015 -16.053 103 HE22 GLN 12 HE22 GLN 12 85.235 1.605 -16.503 104 H LYS 13 H LYS 13 85.355 -1.097 -10.809 105 HA LYS 13 HA LYS 13 88.240 -0.879 -10.271 106 HB2 LYS 13 HB2 LYS 13 86.638 1.125 -10.222 107 HB3 LYS 13 HB3 LYS 13 86.094 0.482 -8.672 108 HG2 LYS 13 HG2 LYS 13 88.291 0.658 -7.728 109 HG3 LYS 13 HG3 LYS 13 89.015 0.976 -9.301 110 HD2 LYS 13 HD2 LYS 13 86.873 2.839 -8.349 111 HD3 LYS 13 HD3 LYS 13 88.468 2.964 -7.608 112 HE2 LYS 13 HE2 LYS 13 89.517 3.326 -9.752 113 HE3 LYS 13 HE3 LYS 13 88.013 2.973 -10.603 114 HZ1 LYS 13 HZ1 LYS 13 88.230 5.173 -8.638 115 HZ2 LYS 13 HZ2 LYS 13 87.032 4.929 -9.818 116 HZ3 LYS 13 HZ3 LYS 13 88.599 5.395 -10.280 117 H CYS 14 H CYS 14 85.385 -1.391 -8.136 118 HA CYS 14 HA CYS 14 87.101 -2.660 -6.190 119 HB2 CYS 14 HB2 CYS 14 84.123 -2.639 -5.970 120 HB3 CYS 14 HB1 CYS 14 85.329 -2.522 -4.696 121 H ALA 15 H ALA 15 84.623 -3.857 -8.426 122 HA ALA 15 HA ALA 15 84.163 -6.359 -7.387 123 HB1 ALA 15 HB1 ALA 15 82.957 -5.904 -9.323 124 HB2 ALA 15 HB2 ALA 15 84.133 -7.085 -9.900 125 HB3 ALA 15 HB3 ALA 15 84.384 -5.367 -10.205 126 H GLN 16 H GLN 16 87.084 -5.141 -8.823 127 HA GLN 16 HA GLN 16 88.448 -7.377 -9.625 128 HB2 GLN 16 HB2 GLN 16 89.350 -4.893 -8.196 129 HB3 GLN 16 HB1 GLN 16 90.504 -6.160 -8.605 130 HG2 GLN 16 HG2 GLN 16 89.824 -6.021 -10.971 131 HG3 GLN 16 HG1 GLN 16 88.665 -4.757 -10.565 132 HE21 GLN 16 HE21 GLN 16 91.227 -4.706 -12.271 133 HE22 GLN 16 HE22 GLN 16 92.117 -3.410 -11.630 134 H CYS 17 H CYS 17 88.493 -6.091 -6.277 135 HA CYS 17 HA CYS 17 88.978 -8.857 -5.338 136 HB2 CYS 17 HB2 CYS 17 90.141 -6.677 -3.709 137 HB3 CYS 17 HB1 CYS 17 90.801 -8.256 -4.109 138 H HIS 18 H HSD 18 86.408 -8.081 -5.392 139 HA HIS 18 HA HSD 18 85.742 -7.980 -2.576 140 HB2 HIS 18 HB2 HSD 18 85.206 -5.643 -4.383 141 HB3 HIS 18 HB1 HSD 18 84.094 -6.012 -3.067 142 HD1 HIS 18 HD1 HSD 18 85.089 -5.943 -0.614 143 HD2 HIS 18 HD2 HSD 18 87.654 -4.538 -3.578 144 HE1 HIS 18 HE1 HSD 18 86.948 -4.701 0.578 145 H THR 19 H THR 19 83.149 -7.613 -2.505 146 HA THR 19 HA THR 19 81.892 -9.202 -4.638 147 HB THR 19 HB THR 19 81.186 -9.845 -1.803 148 HG1 THR 19 HG1 THR 19 83.077 -11.505 -2.692 149 HG21 THR 19 HG21 THR 19 80.168 -10.746 -4.046 150 HG22 THR 19 HG22 THR 19 80.486 -11.869 -2.724 151 HG23 THR 19 HG23 THR 19 81.611 -11.757 -4.077 152 H VAL 20 H VAL 20 81.522 -7.198 -1.760 153 HA VAL 20 HA VAL 20 79.796 -5.891 -0.994 154 HB VAL 20 HB VAL 20 79.092 -4.192 -2.565 155 HG11 VAL 20 HG11 VAL 20 81.306 -3.437 -3.317 156 HG12 VAL 20 HG12 VAL 20 81.951 -5.062 -3.086 157 HG13 VAL 20 HG13 VAL 20 81.407 -4.124 -1.698 158 HG21 VAL 20 HG21 VAL 20 79.458 -4.358 -4.921 159 HG22 VAL 20 HG22 VAL 20 78.676 -5.862 -4.446 160 HG23 VAL 20 HG23 VAL 20 80.412 -5.825 -4.735 161 H GLU 21 H GLU 21 78.923 -8.583 -1.598 162 HA GLU 21 HA GLU 21 76.085 -7.970 -2.136 163 HB2 GLU 21 HB2 GLU 21 75.794 -9.806 -3.561 164 HB3 GLU 21 HB3 GLU 21 77.332 -9.125 -4.088 165 HG2 GLU 21 HG2 GLU 21 78.437 -10.773 -2.464 166 HG3 GLU 21 HG3 GLU 21 76.863 -11.567 -2.379 167 H LYS 22 H LYS 22 74.956 -8.398 -0.385 168 HA LYS 22 HA LYS 22 75.873 -9.696 1.892 169 HB2 LYS 22 HB2 LYS 22 73.872 -8.186 1.723 170 HB3 LYS 22 HB3 LYS 22 72.984 -9.532 1.016 171 HG2 LYS 22 HG2 LYS 22 74.406 -10.184 3.536 172 HG3 LYS 22 HG3 LYS 22 73.106 -9.008 3.711 173 HD2 LYS 22 HD2 LYS 22 71.607 -10.606 2.445 174 HD3 LYS 22 HD3 LYS 22 72.904 -11.799 2.550 175 HE2 LYS 22 HE2 LYS 22 71.253 -12.070 4.384 176 HE3 LYS 22 HE3 LYS 22 72.855 -11.666 4.999 177 HZ1 LYS 22 HZ1 LYS 22 72.165 -9.679 5.732 178 HZ2 LYS 22 HZ2 LYS 22 70.614 -10.368 5.667 179 HZ3 LYS 22 HZ3 LYS 22 71.171 -9.396 4.388 180 H GLY 23 H GLY 23 75.963 -11.759 2.578 181 HA2 GLY 23 HA2 GLY 23 75.765 -14.054 2.601 182 HA3 GLY 23 HA3 GLY 23 74.365 -13.880 1.547 183 H GLY 24 H GLY 24 77.472 -12.547 0.675 184 HA2 GLY 24 HA2 GLY 24 77.568 -14.337 -1.648 185 HA3 GLY 24 HA3 GLY 24 78.483 -12.849 -1.441 186 H LYS 25 H LYS 25 80.534 -13.539 -1.718 187 HA LYS 25 HA LYS 25 81.675 -15.220 0.375 188 HB2 LYS 25 HB2 LYS 25 82.734 -16.765 -1.171 189 HB3 LYS 25 HB3 LYS 25 80.988 -16.803 -1.420 190 HG2 LYS 25 HG2 LYS 25 81.634 -14.845 -3.173 191 HG3 LYS 25 HG3 LYS 25 83.136 -15.766 -3.209 192 HD2 LYS 25 HD2 LYS 25 81.906 -16.850 -4.865 193 HD3 LYS 25 HD3 LYS 25 81.516 -17.838 -3.457 194 HE2 LYS 25 HE2 LYS 25 79.415 -17.387 -4.459 195 HE3 LYS 25 HE3 LYS 25 79.514 -16.243 -3.122 196 HZ1 LYS 25 HZ1 LYS 25 79.044 -14.750 -4.703 197 HZ2 LYS 25 HZ2 LYS 25 79.543 -15.763 -5.973 198 HZ3 LYS 25 HZ3 LYS 25 80.691 -14.870 -5.093 199 H HIS 26 H HIS 26 83.341 -14.059 1.089 200 HA HIS 26 HA HIS 26 84.497 -11.870 -0.176 201 HB2 HIS 26 HB2 HIS 26 86.512 -12.523 1.411 202 HB3 HIS 26 HB1 HIS 26 84.988 -11.947 2.084 203 HD1 HIS 26 HD1 HIS 26 86.005 -15.403 0.810 204 HD2 HIS 26 HD2 HIS 26 84.475 -13.591 4.238 205 HE1 HIS 26 HE1 HIS 26 85.534 -17.269 2.458 206 HE2 HIS 26 HE2 HIS 26 84.602 -16.180 4.553 207 H LYS 27 H LYS 27 85.779 -11.683 -1.870 208 HA LYS 27 HA LYS 27 87.484 -13.979 -2.652 209 HB2 LYS 27 HB2 LYS 27 85.719 -13.799 -4.274 210 HB3 LYS 27 HB3 LYS 27 85.930 -12.053 -4.392 211 HG2 LYS 27 HG2 LYS 27 88.022 -12.268 -5.493 212 HG3 LYS 27 HG3 LYS 27 88.172 -13.968 -5.047 213 HD2 LYS 27 HD2 LYS 27 87.501 -13.589 -7.451 214 HD3 LYS 27 HD3 LYS 27 86.375 -14.592 -6.536 215 HE2 LYS 27 HE2 LYS 27 84.796 -12.848 -6.337 216 HE3 LYS 27 HE3 LYS 27 85.983 -11.607 -6.742 217 HZ1 LYS 27 HZ1 LYS 27 84.764 -13.615 -8.547 218 HZ2 LYS 27 HZ2 LYS 27 86.140 -12.715 -8.974 219 HZ3 LYS 27 HZ3 LYS 27 84.670 -11.925 -8.654 220 H THR 28 H THR 28 89.551 -13.481 -2.321 221 HA THR 28 HA THR 28 91.485 -12.255 -2.066 222 HB THR 28 HB THR 28 90.504 -10.537 -4.334 223 HG1 THR 28 HG1 THR 28 90.937 -12.198 -5.720 224 HG21 THR 28 HG21 THR 28 93.195 -11.845 -3.981 225 HG22 THR 28 HG22 THR 28 92.806 -10.345 -3.139 226 HG23 THR 28 HG23 THR 28 92.785 -10.399 -4.902 227 H GLY 29 H GLY 29 89.047 -11.356 -0.650 228 HA2 GLY 29 HA2 GLY 29 89.969 -9.174 0.730 229 HA3 GLY 29 HA3 GLY 29 89.048 -8.485 -0.602 230 HA PRO 30 HA PRO 30 86.261 -10.017 2.952 231 HB2 PRO 30 HB2 PRO 30 85.796 -7.665 4.260 232 HB3 PRO 30 HB1 PRO 30 87.137 -8.751 4.676 233 HG2 PRO 30 HG2 PRO 30 87.162 -6.249 3.055 234 HG3 PRO 30 HG1 PRO 30 88.332 -6.829 4.254 235 HD2 PRO 30 HD2 PRO 30 88.729 -7.063 1.549 236 HD3 PRO 30 HD1 PRO 30 89.417 -8.195 2.735 237 H ASN 31 H ASN 31 83.977 -9.106 3.420 238 HA ASN 31 HA ASN 31 82.902 -8.009 0.899 239 HB2 ASN 31 HB2 ASN 31 82.157 -10.272 2.111 240 HB3 ASN 31 HB1 ASN 31 81.119 -9.160 3.001 241 HD21 ASN 31 HD21 ASN 31 80.581 -11.232 0.738 242 HD22 ASN 31 HD22 ASN 31 79.670 -10.348 -0.390 243 H LEU 32 H LEU 32 81.994 -6.064 0.852 244 HA LEU 32 HA LEU 32 82.072 -4.374 3.180 245 HB2 LEU 32 HB2 LEU 32 80.799 -3.722 0.521 246 HB3 LEU 32 HB3 LEU 32 81.456 -2.602 1.711 247 HG LEU 32 HG LEU 32 82.971 -4.504 -0.088 248 HD11 LEU 32 HD11 LEU 32 82.992 -1.512 0.399 249 HD12 LEU 32 HD12 LEU 32 82.540 -2.349 -1.081 250 HD13 LEU 32 HD13 LEU 32 84.219 -2.345 -0.554 251 HD21 LEU 32 HD21 LEU 32 84.039 -4.804 2.026 252 HD22 LEU 32 HD22 LEU 32 83.873 -3.097 2.432 253 HD23 LEU 32 HD23 LEU 32 85.007 -3.597 1.180 254 H HIS 33 H HIS 33 80.252 -6.657 3.345 255 HA HIS 33 HA HIS 33 77.572 -6.114 2.947 256 HB2 HIS 33 HB2 HIS 33 78.966 -7.561 5.202 257 HB3 HIS 33 HB1 HIS 33 77.210 -7.498 5.059 258 HD1 HIS 33 HD1 HIS 33 78.152 -10.244 4.833 259 HD2 HIS 33 HD2 HIS 33 78.246 -7.728 1.510 260 HE1 HIS 33 HE1 HIS 33 78.234 -11.747 2.797 261 HE2 HIS 33 HE2 HIS 33 78.292 -10.228 0.766 262 H GLY 34 H GLY 34 76.241 -4.566 3.633 263 HA2 GLY 34 HA2 GLY 34 75.625 -2.587 4.699 264 HA3 GLY 34 HA3 GLY 34 75.685 -3.649 6.101 265 H LEU 35 H LEU 35 78.398 -2.530 4.120 266 HA LEU 35 HA LEU 35 80.197 -2.028 6.120 267 HB2 LEU 35 HB2 LEU 35 80.672 -1.898 3.680 268 HB3 LEU 35 HB3 LEU 35 79.850 -0.341 3.630 269 HG LEU 35 HG LEU 35 81.525 0.270 5.576 270 HD11 LEU 35 HD11 LEU 35 83.713 -0.859 5.268 271 HD12 LEU 35 HD12 LEU 35 82.955 -1.976 4.136 272 HD13 LEU 35 HD13 LEU 35 82.470 -1.974 5.829 273 HD21 LEU 35 HD21 LEU 35 81.842 1.606 3.754 274 HD22 LEU 35 HD22 LEU 35 81.865 0.255 2.621 275 HD23 LEU 35 HD23 LEU 35 83.298 0.634 3.576 276 H PHE 36 H PHE 36 78.059 0.424 4.669 277 HA PHE 36 HA PHE 36 78.671 2.584 6.263 278 HB2 PHE 36 HB2 PHE 36 75.856 1.915 5.391 279 HB3 PHE 36 HB1 PHE 36 76.566 3.513 5.631 280 HD1 PHE 36 HD2 PHE 36 76.562 0.502 3.474 281 HD2 PHE 36 HD1 PHE 36 78.002 4.521 3.964 282 HE1 PHE 36 HE2 PHE 36 77.361 0.503 1.127 283 HE2 PHE 36 HE1 PHE 36 78.799 4.520 1.625 284 HZ PHE 36 HZ PHE 36 78.479 2.514 0.203 285 H GLY 37 H GLY 37 79.095 2.027 8.383 286 HA2 GLY 37 HA2 GLY 37 77.712 2.478 10.486 287 HA3 GLY 37 HA3 GLY 37 76.829 1.031 10.006 288 H ARG 38 H ARG 38 79.388 -0.117 8.928 289 HA ARG 38 HA ARG 38 80.191 -1.508 11.313 290 HB2 ARG 38 HB2 ARG 38 81.000 -1.590 8.416 291 HB3 ARG 38 HB3 ARG 38 81.928 -2.471 9.626 292 HG2 ARG 38 HG2 ARG 38 78.938 -2.776 9.595 293 HG3 ARG 38 HG3 ARG 38 79.886 -3.625 8.378 294 HD2 ARG 38 HD2 ARG 38 81.334 -4.305 10.535 295 HD3 ARG 38 HD3 ARG 38 79.786 -4.042 11.332 296 HE ARG 38 HE ARG 38 79.086 -6.031 10.398 297 HH11 ARG 38 HH21 ARG 38 81.645 -4.654 8.517 298 HH12 ARG 38 HH22 ARG 38 81.725 -5.977 7.400 299 HH21 ARG 38 HH11 ARG 38 79.180 -7.768 8.935 300 HH22 ARG 38 HH12 ARG 38 80.329 -7.740 7.639 301 H LYS 39 H LYS 39 82.319 -1.561 12.203 302 HA LYS 39 HA LYS 39 83.694 1.021 12.010 303 HB2 LYS 39 HB2 LYS 39 83.151 0.199 14.254 304 HB3 LYS 39 HB3 LYS 39 84.063 -1.276 13.946 305 HG2 LYS 39 HG2 LYS 39 85.916 -0.226 14.704 306 HG3 LYS 39 HG3 LYS 39 85.827 0.855 13.320 307 HD2 LYS 39 HD2 LYS 39 85.862 2.219 15.309 308 HD3 LYS 39 HD3 LYS 39 84.235 2.297 14.635 309 HE2 LYS 39 HE2 LYS 39 84.157 0.075 16.341 310 HE3 LYS 39 HE3 LYS 39 85.103 1.273 17.225 311 HZ1 LYS 39 HZ1 LYS 39 82.610 2.070 15.881 312 HZ2 LYS 39 HZ2 LYS 39 83.379 2.770 17.225 313 HZ3 LYS 39 HZ3 LYS 39 82.543 1.301 17.391 314 H THR 40 H THR 40 85.710 1.277 11.222 315 HA THR 40 HA THR 40 86.786 -0.195 9.242 316 HB THR 40 HB THR 40 89.004 0.737 9.853 317 HG1 THR 40 HG1 THR 40 87.720 1.858 12.093 318 HG21 THR 40 HG21 THR 40 87.318 2.127 8.690 319 HG22 THR 40 HG22 THR 40 88.328 3.095 9.761 320 HG23 THR 40 HG23 THR 40 86.693 2.656 10.251 321 H GLY 41 H GLY 41 87.760 -2.100 8.955 322 HA2 GLY 41 HA2 GLY 41 88.554 -4.204 9.404 323 HA3 GLY 41 HA3 GLY 41 89.504 -3.420 10.660 324 H GLN 42 H GLN 42 86.007 -4.020 10.267 325 HA GLN 42 HA GLN 42 86.029 -5.339 12.922 326 HB2 GLN 42 HB2 GLN 42 84.815 -3.237 13.014 327 HB3 GLN 42 HB1 GLN 42 83.844 -3.701 11.617 328 HG2 GLN 42 HG2 GLN 42 82.797 -5.486 12.830 329 HG3 GLN 42 HG1 GLN 42 83.931 -5.324 14.169 330 HE21 GLN 42 HE21 GLN 42 81.538 -3.286 12.381 331 HE22 GLN 42 HE22 GLN 42 80.991 -2.472 13.767 332 H ALA 43 H ALA 43 85.260 -5.624 9.580 333 HA ALA 43 HA ALA 43 83.221 -7.546 9.656 334 HB1 ALA 43 HB1 ALA 43 83.574 -6.685 7.534 335 HB2 ALA 43 HB2 ALA 43 84.367 -8.253 7.396 336 HB3 ALA 43 HB3 ALA 43 85.328 -6.799 7.668 337 HA PRO 44 HA PRO 44 85.763 -10.875 11.320 338 HB2 PRO 44 HB2 PRO 44 83.792 -12.686 11.705 339 HB3 PRO 44 HB1 PRO 44 83.961 -11.255 12.740 340 HG2 PRO 44 HG2 PRO 44 82.087 -11.734 10.472 341 HG3 PRO 44 HG1 PRO 44 81.789 -10.953 12.035 342 HD2 PRO 44 HD2 PRO 44 82.248 -9.570 9.685 343 HD3 PRO 44 HD1 PRO 44 82.564 -8.910 11.306 344 H GLY 45 H GLY 45 87.056 -11.956 9.920 345 HA2 GLY 45 HA2 GLY 45 86.579 -14.237 8.591 346 HA3 GLY 45 HA3 GLY 45 85.996 -13.042 7.436 347 H PHE 46 H PHE 46 87.528 -11.364 6.743 348 HA PHE 46 HA PHE 46 90.043 -12.508 6.025 349 HB2 PHE 46 HB2 PHE 46 88.649 -10.804 4.706 350 HB3 PHE 46 HB1 PHE 46 89.325 -9.588 5.789 351 HD1 PHE 46 HD2 PHE 46 90.131 -12.126 3.215 352 HD2 PHE 46 HD1 PHE 46 91.643 -8.930 5.655 353 HE1 PHE 46 HE2 PHE 46 92.212 -12.079 1.865 354 HE2 PHE 46 HE1 PHE 46 93.723 -8.883 4.304 355 HZ PHE 46 HZ PHE 46 94.007 -10.458 2.410 356 H THR 47 H THR 47 92.130 -11.854 6.620 357 HA THR 47 HA THR 47 92.416 -11.109 9.382 358 HB THR 47 HB THR 47 94.579 -11.376 7.289 359 HG1 THR 47 HG1 THR 47 92.895 -13.193 8.245 360 HG21 THR 47 HG21 THR 47 95.240 -10.299 9.412 361 HG22 THR 47 HG22 THR 47 95.985 -11.889 9.239 362 HG23 THR 47 HG23 THR 47 94.596 -11.677 10.304 363 H TYR 48 H TYR 48 91.467 -9.002 9.391 364 HA TYR 48 HA TYR 48 92.372 -6.859 7.784 365 HB2 TYR 48 HB2 TYR 48 90.871 -7.067 10.374 366 HB3 TYR 48 HB3 TYR 48 91.411 -5.490 9.799 367 HD1 TYR 48 HD2 TYR 48 90.623 -4.599 7.636 368 HD2 TYR 48 HD1 TYR 48 89.104 -8.277 9.247 369 HE1 TYR 48 HE2 TYR 48 88.713 -4.496 6.063 370 HE2 TYR 48 HE1 TYR 48 87.191 -8.177 7.672 371 HH TYR 48 HH TYR 48 86.299 -5.438 6.049 372 H THR 49 H THR 49 93.726 -5.104 8.308 373 HA THR 49 HA THR 49 96.086 -5.864 9.796 374 HB THR 49 HB THR 49 96.992 -3.726 9.011 375 HG1 THR 49 HG1 THR 49 95.465 -2.267 8.928 376 HG21 THR 49 HG21 THR 49 96.458 -4.097 6.493 377 HG22 THR 49 HG22 THR 49 95.510 -5.473 7.055 378 HG23 THR 49 HG23 THR 49 97.242 -5.403 7.383 379 H ASP 50 H ASP 50 97.010 -4.575 11.510 380 HA ASP 50 HA ASP 50 95.288 -4.069 13.639 381 HB2 ASP 50 HB2 ASP 50 98.012 -2.840 13.174 382 HB3 ASP 50 HB1 ASP 50 97.184 -2.986 14.723 383 H ALA 51 H ALA 51 96.677 -1.804 11.285 384 HA ALA 51 HA ALA 51 95.785 0.594 12.377 385 HB1 ALA 51 HB1 ALA 51 96.118 -0.235 9.490 386 HB2 ALA 51 HB2 ALA 51 97.278 0.629 10.501 387 HB3 ALA 51 HB3 ALA 51 95.784 1.420 9.996 388 H ASN 52 H ASN 52 94.076 -1.639 10.200 389 HA ASN 52 HA ASN 52 91.694 0.006 10.180 390 HB2 ASN 52 HB2 ASN 52 92.729 -1.933 8.500 391 HB3 ASN 52 HB1 ASN 52 91.409 -2.785 9.293 392 HD21 ASN 52 HD21 ASN 52 90.331 -2.733 7.107 393 HD22 ASN 52 HD22 ASN 52 89.515 -1.323 6.628 394 H LYS 53 H LYS 53 92.962 -2.626 12.029 395 HA LYS 53 HA LYS 53 90.396 -3.307 13.217 396 HB2 LYS 53 HB2 LYS 53 91.605 -5.252 13.167 397 HB3 LYS 53 HB3 LYS 53 93.149 -4.414 13.218 398 HG2 LYS 53 HG2 LYS 53 92.919 -4.026 15.610 399 HG3 LYS 53 HG3 LYS 53 91.295 -4.717 15.596 400 HD2 LYS 53 HD2 LYS 53 93.577 -6.369 14.558 401 HD3 LYS 53 HD3 LYS 53 93.377 -6.198 16.301 402 HE2 LYS 53 HE2 LYS 53 91.031 -6.980 16.097 403 HE3 LYS 53 HE3 LYS 53 91.269 -7.198 14.363 404 HZ1 LYS 53 HZ1 LYS 53 93.099 -8.737 14.896 405 HZ2 LYS 53 HZ2 LYS 53 91.594 -9.279 15.469 406 HZ3 LYS 53 HZ3 LYS 53 92.719 -8.596 16.542 407 H ASN 54 H ASN 54 92.699 -0.943 13.531 408 HA ASN 54 HA ASN 54 92.895 -0.631 16.342 409 HB2 ASN 54 HB2 ASN 54 93.947 1.381 15.871 410 HB3 ASN 54 HB1 ASN 54 94.239 0.481 14.389 411 HD21 ASN 54 HD21 ASN 54 91.557 0.762 13.281 412 HD22 ASN 54 HD22 ASN 54 91.347 2.396 12.878 413 H LYS 55 H LYS 55 90.409 -0.047 14.079 414 HA LYS 55 HA LYS 55 88.275 0.816 14.286 415 HB2 LYS 55 HB2 LYS 55 88.717 0.788 17.273 416 HB3 LYS 55 HB3 LYS 55 87.196 0.636 16.398 417 HG2 LYS 55 HG2 LYS 55 88.369 -1.482 15.335 418 HG3 LYS 55 HG3 LYS 55 89.370 -1.393 16.784 419 HD2 LYS 55 HD2 LYS 55 87.199 -1.282 18.121 420 HD3 LYS 55 HD3 LYS 55 86.369 -1.724 16.628 421 HE2 LYS 55 HE2 LYS 55 88.352 -3.336 18.226 422 HE3 LYS 55 HE3 LYS 55 86.746 -3.804 17.667 423 HZ1 LYS 55 HZ1 LYS 55 87.537 -3.832 15.414 424 HZ2 LYS 55 HZ2 LYS 55 88.544 -4.817 16.365 425 HZ3 LYS 55 HZ3 LYS 55 89.065 -3.270 15.892 426 H GLY 56 H GLY 56 89.692 2.750 13.472 427 HA2 GLY 56 HA2 GLY 56 89.997 4.916 15.368 428 HA3 GLY 56 HA3 GLY 56 90.343 4.980 13.645 429 H ILE 57 H ILE 57 87.886 4.217 12.583 430 HA ILE 57 HA ILE 57 85.900 6.067 13.706 431 HB ILE 57 HB ILE 57 85.557 7.157 11.532 432 HG12 ILE 57 HG12 ILE 57 87.772 6.703 10.001 433 HG13 ILE 57 HG13 ILE 57 87.556 5.103 10.708 434 HG21 ILE 57 HG21 ILE 57 87.459 8.595 11.636 435 HG22 ILE 57 HG22 ILE 57 88.489 7.306 12.259 436 HG23 ILE 57 HG23 ILE 57 87.225 7.995 13.277 437 HD11 ILE 57 HD11 ILE 57 85.006 5.571 10.002 438 HD12 ILE 57 HD12 ILE 57 86.169 4.874 8.882 439 HD13 ILE 57 HD13 ILE 57 85.800 6.596 8.813 440 H THR 58 H THR 58 83.885 5.994 12.151 441 HA THR 58 HA THR 58 83.331 3.140 11.621 442 HB THR 58 HB THR 58 81.588 5.416 12.541 443 HG1 THR 58 HG1 THR 58 82.426 4.244 14.183 444 HG21 THR 58 HG21 THR 58 80.221 4.497 10.858 445 HG22 THR 58 HG22 THR 58 79.729 3.621 12.308 446 HG23 THR 58 HG23 THR 58 80.815 2.861 11.144 447 H TRP 59 H TRP 59 82.544 2.515 9.652 448 HA TRP 59 HA TRP 59 83.019 4.161 7.404 449 HB2 TRP 59 HB2 TRP 59 81.389 1.629 7.674 450 HB3 TRP 59 HB1 TRP 59 81.774 2.404 6.140 451 HD1 TRP 59 HD1 TRP 59 83.001 -0.220 8.297 452 HE1 TRP 59 HE1 TRP 59 85.482 -0.759 7.837 453 HE3 TRP 59 HE3 TRP 59 84.299 3.881 5.539 454 HZ2 TRP 59 HZ2 TRP 59 87.718 0.401 6.486 455 HZ3 TRP 59 HZ3 TRP 59 86.608 4.136 4.682 456 HH2 TRP 59 HH2 TRP 59 88.317 2.404 5.149 457 H LYS 60 H LYS 60 81.695 5.335 6.112 458 HA LYS 60 HA LYS 60 78.830 5.440 6.546 459 HB2 LYS 60 HB2 LYS 60 80.624 7.782 7.223 460 HB3 LYS 60 HB3 LYS 60 78.891 7.932 6.945 461 HG2 LYS 60 HG2 LYS 60 78.609 6.112 8.738 462 HG3 LYS 60 HG3 LYS 60 80.299 6.410 9.142 463 HD2 LYS 60 HD2 LYS 60 78.259 8.640 9.011 464 HD3 LYS 60 HD3 LYS 60 78.568 7.730 10.489 465 HE2 LYS 60 HE2 LYS 60 81.003 8.320 10.264 466 HE3 LYS 60 HE3 LYS 60 80.571 9.371 8.915 467 HZ1 LYS 60 HZ1 LYS 60 79.468 10.822 10.274 468 HZ2 LYS 60 HZ2 LYS 60 80.700 10.308 11.323 469 HZ3 LYS 60 HZ3 LYS 60 79.138 9.656 11.460 470 H GLU 61 H GLU 61 78.249 7.759 5.197 471 HA GLU 61 HA GLU 61 78.816 7.007 2.499 472 HB2 GLU 61 HB2 GLU 61 76.699 8.117 3.288 473 HB3 GLU 61 HB3 GLU 61 77.622 9.610 3.472 474 HG2 GLU 61 HG2 GLU 61 78.223 9.560 1.096 475 HG3 GLU 61 HG3 GLU 61 77.368 8.031 0.896 476 H GLU 62 H GLU 62 79.587 9.995 4.315 477 HA GLU 62 HA GLU 62 81.388 10.960 2.331 478 HB2 GLU 62 HB2 GLU 62 81.967 12.671 3.961 479 HB3 GLU 62 HB3 GLU 62 80.220 12.424 3.963 480 HG2 GLU 62 HG2 GLU 62 80.626 10.758 5.878 481 HG3 GLU 62 HG3 GLU 62 82.242 11.452 5.985 482 H THR 63 H THR 63 81.875 9.292 5.433 483 HA THR 63 HA THR 63 84.643 9.402 5.597 484 HB THR 63 HB THR 63 84.487 7.287 6.872 485 HG1 THR 63 HG1 THR 63 82.742 6.554 5.347 486 HG21 THR 63 HG21 THR 63 82.326 9.345 7.348 487 HG22 THR 63 HG22 THR 63 83.940 9.304 8.056 488 HG23 THR 63 HG23 THR 63 82.747 8.088 8.512 489 H LEU 64 H LEU 64 82.566 7.297 3.702 490 HA LEU 64 HA LEU 64 84.635 5.587 2.753 491 HB2 LEU 64 HB2 LEU 64 81.775 5.976 2.263 492 HB3 LEU 64 HB3 LEU 64 82.655 5.542 0.805 493 HG LEU 64 HG LEU 64 82.833 4.026 3.422 494 HD11 LEU 64 HD11 LEU 64 81.658 2.316 1.655 495 HD12 LEU 64 HD12 LEU 64 80.975 3.846 1.113 496 HD13 LEU 64 HD13 LEU 64 80.753 3.326 2.782 497 HD21 LEU 64 HD21 LEU 64 83.651 2.355 1.384 498 HD22 LEU 64 HD22 LEU 64 84.736 3.278 2.420 499 HD23 LEU 64 HD23 LEU 64 84.275 3.916 0.844 500 H MET 65 H MET 65 83.205 8.609 1.584 501 HA MET 65 HA MET 65 84.347 8.671 -0.970 502 HB2 MET 65 HB2 MET 65 83.836 10.986 0.911 503 HB3 MET 65 HB1 MET 65 84.152 11.132 -0.815 504 HG2 MET 65 HG2 MET 65 82.149 9.912 -1.361 505 HG3 MET 65 HG1 MET 65 81.882 9.497 0.331 506 HE1 MET 65 HE1 MET 65 80.534 13.091 -1.949 507 HE2 MET 65 HE2 MET 65 80.312 11.366 -2.230 508 HE3 MET 65 HE3 MET 65 81.911 12.082 -2.412 509 H GLU 66 H GLU 66 85.631 10.187 2.001 510 HA GLU 66 HA GLU 66 88.084 10.998 0.911 511 HB2 GLU 66 HB2 GLU 66 87.473 10.183 3.764 512 HB3 GLU 66 HB3 GLU 66 88.869 11.125 3.237 513 HG2 GLU 66 HG2 GLU 66 86.005 11.973 2.740 514 HG3 GLU 66 HG3 GLU 66 86.947 12.506 4.131 515 H TYR 67 H TYR 67 86.976 7.918 2.100 516 HA TYR 67 HA TYR 67 89.591 6.705 2.239 517 HB2 TYR 67 HB2 TYR 67 87.822 5.845 3.647 518 HB3 TYR 67 HB3 TYR 67 86.792 5.561 2.246 519 HD1 TYR 67 HD1 TYR 67 89.889 4.481 3.977 520 HD2 TYR 67 HD2 TYR 67 87.061 3.626 0.858 521 HE1 TYR 67 HE1 TYR 67 90.864 2.215 3.714 522 HE2 TYR 67 HE2 TYR 67 88.038 1.363 0.593 523 HH TYR 67 HH TYR 67 90.467 0.335 1.121 524 H LEU 68 H LEU 68 87.088 7.127 -0.146 525 HA LEU 68 HA LEU 68 88.103 5.145 -1.977 526 HB2 LEU 68 HB2 LEU 68 86.003 7.298 -2.128 527 HB3 LEU 68 HB3 LEU 68 86.500 6.421 -3.569 528 HG LEU 68 HG LEU 68 85.442 5.152 -1.028 529 HD11 LEU 68 HD11 LEU 68 83.773 6.428 -2.416 530 HD12 LEU 68 HD12 LEU 68 83.444 4.699 -2.296 531 HD13 LEU 68 HD13 LEU 68 84.161 5.359 -3.763 532 HD21 LEU 68 HD21 LEU 68 85.231 3.272 -2.972 533 HD22 LEU 68 HD22 LEU 68 86.607 3.385 -1.879 534 HD23 LEU 68 HD23 LEU 68 86.703 4.087 -3.494 535 H GLU 69 H GLU 69 88.799 8.456 -1.278 536 HA GLU 69 HA GLU 69 90.065 8.935 -3.864 537 HB2 GLU 69 HB2 GLU 69 89.007 10.878 -3.150 538 HB3 GLU 69 HB3 GLU 69 89.390 10.587 -1.455 539 HG2 GLU 69 HG2 GLU 69 91.641 11.266 -1.734 540 HG3 GLU 69 HG3 GLU 69 91.536 11.164 -3.491 541 H ASN 70 H ASN 70 90.849 7.646 -0.843 542 HA ASN 70 HA ASN 70 93.561 7.181 -1.527 543 HB2 ASN 70 HB2 ASN 70 94.600 8.555 0.275 544 HB3 ASN 70 HB1 ASN 70 93.897 9.522 -1.018 545 HD21 ASN 70 HD21 ASN 70 93.525 8.581 2.373 546 HD22 ASN 70 HD22 ASN 70 92.318 9.719 2.736 547 HA PRO 71 HA PRO 71 91.358 4.427 1.556 548 HB2 PRO 71 HB2 PRO 71 93.083 2.521 0.033 549 HB3 PRO 71 HB1 PRO 71 91.391 2.355 0.537 550 HG2 PRO 71 HG2 PRO 71 92.051 2.885 -1.993 551 HG3 PRO 71 HG1 PRO 71 90.600 3.573 -1.241 552 HD2 PRO 71 HD2 PRO 71 93.190 4.904 -1.901 553 HD3 PRO 71 HD1 PRO 71 91.550 5.587 -1.850 554 H LYS 72 H LYS 72 94.743 4.670 0.557 555 HA LYS 72 HA LYS 72 95.734 3.397 2.965 556 HB2 LYS 72 HB2 LYS 72 96.888 3.151 0.800 557 HB3 LYS 72 HB3 LYS 72 97.212 4.882 0.784 558 HG2 LYS 72 HG2 LYS 72 99.198 4.067 1.693 559 HG3 LYS 72 HG3 LYS 72 98.281 4.412 3.155 560 HD2 LYS 72 HD2 LYS 72 99.069 2.237 3.548 561 HD3 LYS 72 HD3 LYS 72 97.445 1.947 2.931 562 HE2 LYS 72 HE2 LYS 72 98.603 0.493 1.570 563 HE3 LYS 72 HE3 LYS 72 98.754 1.950 0.589 564 HZ1 LYS 72 HZ1 LYS 72 100.793 0.441 1.753 565 HZ2 LYS 72 HZ2 LYS 72 100.785 1.956 2.519 566 HZ3 LYS 72 HZ3 LYS 72 100.935 1.856 0.829 567 H LYS 73 H LYS 73 95.820 6.703 1.604 568 HA LYS 73 HA LYS 73 97.223 7.832 3.776 569 HB2 LYS 73 HB2 LYS 73 96.640 8.777 1.370 570 HB3 LYS 73 HB3 LYS 73 95.274 9.490 2.227 571 HG2 LYS 73 HG2 LYS 73 96.762 10.604 3.789 572 HG3 LYS 73 HG3 LYS 73 98.163 9.786 3.099 573 HD2 LYS 73 HD2 LYS 73 98.029 12.058 2.207 574 HD3 LYS 73 HD3 LYS 73 97.705 10.898 0.919 575 HE2 LYS 73 HE2 LYS 73 95.410 11.378 0.887 576 HE3 LYS 73 HE3 LYS 73 95.426 12.039 2.523 577 HZ1 LYS 73 HZ1 LYS 73 95.761 13.393 0.087 578 HZ2 LYS 73 HZ2 LYS 73 97.196 13.541 0.984 579 HZ3 LYS 73 HZ3 LYS 73 95.717 14.036 1.655 580 H TYR 74 H TYR 74 94.034 6.694 3.583 581 HA TYR 74 HA TYR 74 92.953 8.522 5.566 582 HB2 TYR 74 HB2 TYR 74 91.730 7.188 3.604 583 HB3 TYR 74 HB3 TYR 74 91.563 5.972 4.868 584 HD1 TYR 74 HD1 TYR 74 91.258 9.705 4.510 585 HD2 TYR 74 HD2 TYR 74 89.630 6.092 6.170 586 HE1 TYR 74 HE1 TYR 74 89.392 11.001 5.502 587 HE2 TYR 74 HE2 TYR 74 87.765 7.391 7.162 588 HH TYR 74 HH TYR 74 87.669 10.929 6.945 589 H ILE 75 H ILE 75 93.560 5.007 5.427 590 HA ILE 75 HA ILE 75 94.034 5.062 8.352 591 HB ILE 75 HB ILE 75 92.689 2.842 6.791 592 HG12 ILE 75 HG12 ILE 75 91.388 4.542 8.915 593 HG13 ILE 75 HG13 ILE 75 91.429 5.101 7.245 594 HG21 ILE 75 HG21 ILE 75 93.801 1.850 8.632 595 HG22 ILE 75 HG22 ILE 75 92.163 2.125 9.224 596 HG23 ILE 75 HG23 ILE 75 93.463 3.223 9.687 597 HD11 ILE 75 HD11 ILE 75 90.298 2.449 8.183 598 HD12 ILE 75 HD12 ILE 75 90.345 3.010 6.512 599 HD13 ILE 75 HD13 ILE 75 89.351 3.856 7.698 600 HA PRO 76 HA PRO 76 97.847 3.725 5.941 601 HB2 PRO 76 HB2 PRO 76 98.826 4.559 8.653 602 HB3 PRO 76 HB1 PRO 76 99.562 4.827 7.060 603 HG2 PRO 76 HG2 PRO 76 98.251 6.771 8.321 604 HG3 PRO 76 HG1 PRO 76 98.167 6.586 6.560 605 HD2 PRO 76 HD2 PRO 76 96.083 6.014 8.605 606 HD3 PRO 76 HD1 PRO 76 95.895 6.434 6.888 607 H GLY 77 H GLY 77 98.313 1.609 5.895 608 HA2 GLY 77 HA2 GLY 77 99.339 -0.268 7.133 609 HA3 GLY 77 HA3 GLY 77 98.172 0.049 8.414 610 H THR 78 H THR 78 96.023 0.601 6.435 611 HA THR 78 HA THR 78 94.806 -1.905 6.327 612 HB THR 78 HB THR 78 93.619 0.260 6.065 613 HG1 THR 78 HG1 THR 78 92.724 -0.737 3.808 614 HG21 THR 78 HG21 THR 78 93.727 1.481 4.021 615 HG22 THR 78 HG22 THR 78 94.628 0.193 3.221 616 HG23 THR 78 HG23 THR 78 95.399 1.160 4.479 617 H LYS 79 H LYS 79 94.542 -3.447 4.693 618 HA LYS 79 HA LYS 79 96.729 -3.490 2.736 619 HB2 LYS 79 HB2 LYS 79 95.338 -5.474 4.286 620 HB3 LYS 79 HB3 LYS 79 95.169 -5.867 2.578 621 HG2 LYS 79 HG2 LYS 79 97.842 -5.149 3.802 622 HG3 LYS 79 HG3 LYS 79 97.238 -6.805 3.767 623 HD2 LYS 79 HD2 LYS 79 96.968 -6.599 1.282 624 HD3 LYS 79 HD3 LYS 79 97.739 -5.015 1.371 625 HE2 LYS 79 HE2 LYS 79 99.507 -6.503 0.842 626 HE3 LYS 79 HE3 LYS 79 99.674 -6.215 2.574 627 HZ1 LYS 79 HZ1 LYS 79 99.825 -8.580 1.965 628 HZ2 LYS 79 HZ2 LYS 79 98.229 -8.520 1.383 629 HZ3 LYS 79 HZ3 LYS 79 98.545 -8.261 3.032 630 H MET 80 H MET 80 96.003 -2.042 1.181 631 HA MET 80 HA MET 80 94.388 -3.091 -0.880 632 HB2 MET 80 HB2 MET 80 92.485 -2.648 0.543 633 HB3 MET 80 HB1 MET 80 93.062 -1.015 0.882 634 HG2 MET 80 HG2 MET 80 92.668 -0.305 -1.364 635 HG3 MET 80 HG1 MET 80 92.443 -1.962 -1.923 636 HE1 MET 80 HE1 MET 80 90.559 0.136 -2.772 637 HE2 MET 80 HE2 MET 80 90.653 1.160 -1.343 638 HE3 MET 80 HE3 MET 80 89.107 0.469 -1.819 639 H ILE 81 H ILE 81 96.049 -2.405 -2.192 640 HA ILE 81 HA ILE 81 96.541 0.509 -2.337 641 HB ILE 81 HB ILE 81 98.243 -1.868 -3.104 642 HG12 ILE 81 HG12 ILE 81 99.865 -0.666 -1.604 643 HG13 ILE 81 HG13 ILE 81 98.595 0.497 -1.233 644 HG21 ILE 81 HG21 ILE 81 98.479 1.042 -3.885 645 HG22 ILE 81 HG22 ILE 81 98.564 -0.380 -4.926 646 HG23 ILE 81 HG23 ILE 81 99.888 -0.018 -3.818 647 HD11 ILE 81 HD11 ILE 81 97.866 -2.368 -0.899 648 HD12 ILE 81 HD12 ILE 81 97.453 -0.973 0.098 649 HD13 ILE 81 HD13 ILE 81 99.039 -1.724 0.249 650 H PHE 82 H PHE 82 95.055 1.263 -3.756 651 HA PHE 82 HA PHE 82 95.301 0.405 -6.528 652 HB2 PHE 82 HB2 PHE 82 93.436 -0.948 -5.260 653 HB3 PHE 82 HB1 PHE 82 92.509 0.542 -5.429 654 HD1 PHE 82 HD2 PHE 82 94.203 -2.191 -7.255 655 HD2 PHE 82 HD1 PHE 82 91.752 1.320 -7.599 656 HE1 PHE 82 HE2 PHE 82 93.697 -2.776 -9.610 657 HE2 PHE 82 HE1 PHE 82 91.246 0.735 -9.955 658 HZ PHE 82 HZ PHE 82 92.219 -1.313 -10.961 659 H ALA 83 H ALA 83 94.625 1.976 -8.002 660 HA ALA 83 HA ALA 83 94.914 4.641 -7.277 661 HB1 ALA 83 HB1 ALA 83 93.408 3.502 -9.644 662 HB2 ALA 83 HB2 ALA 83 95.134 3.861 -9.586 663 HB3 ALA 83 HB3 ALA 83 93.957 5.171 -9.491 664 H GLY 84 H GLY 84 93.685 5.717 -5.865 665 HA2 GLY 84 HA2 GLY 84 91.064 5.124 -5.103 666 HA3 GLY 84 HA3 GLY 84 91.838 6.693 -4.898 667 H ILE 85 H ILE 85 89.666 7.552 -5.322 668 HA ILE 85 HA ILE 85 88.811 7.393 -8.138 669 HB ILE 85 HB ILE 85 87.467 8.467 -5.654 670 HG12 ILE 85 HG12 ILE 85 87.658 5.909 -6.305 671 HG13 ILE 85 HG13 ILE 85 86.122 6.563 -5.746 672 HG21 ILE 85 HG21 ILE 85 86.718 9.920 -7.361 673 HG22 ILE 85 HG22 ILE 85 85.482 8.662 -7.293 674 HG23 ILE 85 HG23 ILE 85 86.700 8.633 -8.565 675 HD11 ILE 85 HD11 ILE 85 86.177 5.108 -7.926 676 HD12 ILE 85 HD12 ILE 85 86.753 6.591 -8.685 677 HD13 ILE 85 HD13 ILE 85 85.183 6.563 -7.882 678 H LYS 86 H LYS 86 88.236 9.389 -9.260 679 HA LYS 86 HA LYS 86 90.178 11.511 -8.664 680 HB2 LYS 86 HB2 LYS 86 88.517 11.020 -11.144 681 HB3 LYS 86 HB3 LYS 86 89.789 12.229 -10.969 682 HG2 LYS 86 HG2 LYS 86 91.482 10.564 -10.750 683 HG3 LYS 86 HG3 LYS 86 90.293 9.283 -10.506 684 HD2 LYS 86 HD2 LYS 86 89.447 9.721 -12.835 685 HD3 LYS 86 HD3 LYS 86 90.794 10.837 -13.059 686 HE2 LYS 86 HE2 LYS 86 91.548 8.762 -13.952 687 HE3 LYS 86 HE3 LYS 86 92.320 8.895 -12.372 688 HZ1 LYS 86 HZ1 LYS 86 90.906 6.773 -13.185 689 HZ2 LYS 86 HZ2 LYS 86 89.709 7.651 -12.357 690 HZ3 LYS 86 HZ3 LYS 86 91.138 7.194 -11.558 691 H LYS 87 H LYS 87 86.901 11.553 -10.105 692 HA LYS 87 HA LYS 87 86.427 14.180 -8.975 693 HB2 LYS 87 HB2 LYS 87 84.739 12.351 -10.686 694 HB3 LYS 87 HB3 LYS 87 84.213 13.946 -10.144 695 HG2 LYS 87 HG2 LYS 87 86.176 14.968 -11.235 696 HG3 LYS 87 HG3 LYS 87 86.704 13.375 -11.780 697 HD2 LYS 87 HD2 LYS 87 84.657 13.113 -13.096 698 HD3 LYS 87 HD3 LYS 87 84.056 14.662 -12.506 699 HE2 LYS 87 HE2 LYS 87 84.996 15.114 -14.655 700 HE3 LYS 87 HE3 LYS 87 86.176 15.701 -13.483 701 HZ1 LYS 87 HZ1 LYS 87 86.456 13.659 -15.432 702 HZ2 LYS 87 HZ2 LYS 87 86.778 13.045 -13.881 703 HZ3 LYS 87 HZ3 LYS 87 87.644 14.386 -14.464 704 H LYS 88 H LYS 88 84.422 14.679 -7.803 705 HA LYS 88 HA LYS 88 84.144 13.007 -5.500 706 HB2 LYS 88 HB2 LYS 88 83.898 15.355 -5.173 707 HB3 LYS 88 HB3 LYS 88 82.695 15.481 -6.452 708 HG2 LYS 88 HG2 LYS 88 81.985 13.573 -4.295 709 HG3 LYS 88 HG3 LYS 88 82.097 15.252 -3.774 710 HD2 LYS 88 HD2 LYS 88 80.600 15.867 -5.720 711 HD3 LYS 88 HD3 LYS 88 80.359 14.142 -5.995 712 HE2 LYS 88 HE2 LYS 88 79.374 13.859 -3.813 713 HE3 LYS 88 HE3 LYS 88 79.811 15.502 -3.345 714 HZ1 LYS 88 HZ1 LYS 88 77.834 16.110 -4.108 715 HZ2 LYS 88 HZ2 LYS 88 77.545 14.586 -4.801 716 HZ3 LYS 88 HZ3 LYS 88 78.390 15.773 -5.676 717 H THR 89 H THR 89 81.965 13.835 -8.208 718 HA THR 89 HA THR 89 79.778 12.293 -7.405 719 HB THR 89 HB THR 89 79.191 12.216 -9.831 720 HG1 THR 89 HG1 THR 89 81.808 12.635 -10.038 721 HG21 THR 89 HG21 THR 89 78.530 14.134 -8.488 722 HG22 THR 89 HG22 THR 89 79.048 14.701 -10.077 723 HG23 THR 89 HG23 THR 89 80.123 14.864 -8.687 724 H GLU 90 H GLU 90 82.843 11.337 -8.718 725 HA GLU 90 HA GLU 90 82.034 8.744 -9.629 726 HB2 GLU 90 HB2 GLU 90 84.697 9.994 -8.966 727 HB3 GLU 90 HB3 GLU 90 84.565 8.281 -9.364 728 HG2 GLU 90 HG2 GLU 90 83.694 8.757 -11.534 729 HG3 GLU 90 HG3 GLU 90 83.426 10.452 -11.130 730 H ARG 91 H ARG 91 83.180 10.131 -6.616 731 HA ARG 91 HA ARG 91 83.418 7.608 -5.233 732 HB2 ARG 91 HB2 ARG 91 83.327 10.488 -4.291 733 HB3 ARG 91 HB3 ARG 91 83.485 9.120 -3.190 734 HG2 ARG 91 HG2 ARG 91 85.519 8.402 -4.456 735 HG3 ARG 91 HG3 ARG 91 85.389 9.872 -5.421 736 HD2 ARG 91 HD2 ARG 91 85.455 10.036 -2.419 737 HD3 ARG 91 HD3 ARG 91 86.950 9.883 -3.332 738 HE ARG 91 HE ARG 91 85.339 12.233 -3.108 739 HH11 ARG 91 HH21 ARG 91 87.340 10.396 -5.251 740 HH12 ARG 91 HH22 ARG 91 87.815 11.765 -6.202 741 HH21 ARG 91 HH11 ARG 91 85.957 14.031 -4.349 742 HH22 ARG 91 HH12 ARG 91 87.031 13.822 -5.690 743 H GLU 92 H GLU 92 81.106 10.324 -5.178 744 HA GLU 92 HA GLU 92 79.273 9.227 -3.366 745 HB2 GLU 92 HB2 GLU 92 79.317 11.596 -4.327 746 HB3 GLU 92 HB3 GLU 92 78.497 10.930 -5.739 747 HG2 GLU 92 HG2 GLU 92 76.762 9.979 -4.143 748 HG3 GLU 92 HG3 GLU 92 77.513 10.949 -2.876 749 H ASP 93 H ASP 93 79.221 9.145 -6.942 750 HA ASP 93 HA ASP 93 76.974 7.491 -7.221 751 HB2 ASP 93 HB2 ASP 93 79.419 7.750 -8.990 752 HB3 ASP 93 HB1 ASP 93 77.929 6.933 -9.457 753 H LEU 94 H LEU 94 80.436 6.625 -7.168 754 HA LEU 94 HA LEU 94 80.182 3.858 -7.375 755 HB2 LEU 94 HB2 LEU 94 82.367 4.940 -7.475 756 HB3 LEU 94 HB3 LEU 94 82.193 5.486 -5.809 757 HG LEU 94 HG LEU 94 82.222 3.210 -4.988 758 HD11 LEU 94 HD11 LEU 94 82.041 2.572 -7.916 759 HD12 LEU 94 HD12 LEU 94 81.103 1.917 -6.574 760 HD13 LEU 94 HD13 LEU 94 82.776 1.414 -6.808 761 HD21 LEU 94 HD21 LEU 94 84.399 4.492 -5.894 762 HD22 LEU 94 HD22 LEU 94 84.457 3.093 -6.963 763 HD23 LEU 94 HD23 LEU 94 84.487 2.869 -5.217 764 H ILE 95 H ILE 95 79.963 5.980 -4.583 765 HA ILE 95 HA ILE 95 79.735 3.859 -2.687 766 HB ILE 95 HB ILE 95 79.310 6.836 -2.554 767 HG12 ILE 95 HG12 ILE 95 81.259 5.126 -1.012 768 HG13 ILE 95 HG13 ILE 95 81.587 5.572 -2.684 769 HG21 ILE 95 HG21 ILE 95 79.311 6.154 0.041 770 HG22 ILE 95 HG22 ILE 95 78.557 4.697 -0.605 771 HG23 ILE 95 HG23 ILE 95 77.813 6.271 -0.882 772 HD11 ILE 95 HD11 ILE 95 82.443 7.103 -0.718 773 HD12 ILE 95 HD12 ILE 95 80.791 7.715 -0.752 774 HD13 ILE 95 HD13 ILE 95 81.804 7.821 -2.191 775 H ALA 96 H ALA 96 77.532 5.692 -4.654 776 HA ALA 96 HA ALA 96 75.146 5.104 -3.219 777 HB1 ALA 96 HB1 ALA 96 73.990 5.916 -5.139 778 HB2 ALA 96 HB2 ALA 96 75.365 5.581 -6.194 779 HB3 ALA 96 HB3 ALA 96 75.458 6.886 -5.011 780 H TYR 97 H TYR 97 77.021 3.470 -5.698 781 HA TYR 97 HA TYR 97 75.078 1.411 -6.196 782 HB2 TYR 97 HB2 TYR 97 76.723 1.915 -7.911 783 HB3 TYR 97 HB3 TYR 97 78.043 1.568 -6.795 784 HD1 TYR 97 HD1 TYR 97 75.076 0.023 -8.458 785 HD2 TYR 97 HD2 TYR 97 78.848 -0.640 -6.519 786 HE1 TYR 97 HE1 TYR 97 74.967 -2.376 -9.069 787 HE2 TYR 97 HE2 TYR 97 78.741 -3.040 -7.129 788 HH TYR 97 HH TYR 97 76.008 -4.330 -9.026 789 H LEU 98 H LEU 98 77.837 1.877 -4.075 790 HA LEU 98 HA LEU 98 78.153 -0.756 -3.145 791 HB2 LEU 98 HB2 LEU 98 78.753 1.957 -2.005 792 HB3 LEU 98 HB3 LEU 98 78.993 0.517 -1.022 793 HG LEU 98 HG LEU 98 80.160 0.713 -3.802 794 HD11 LEU 98 HD11 LEU 98 82.261 1.218 -2.087 795 HD12 LEU 98 HD12 LEU 98 80.960 2.170 -1.376 796 HD13 LEU 98 HD13 LEU 98 81.430 2.432 -3.053 797 HD21 LEU 98 HD21 LEU 98 81.838 -0.836 -2.694 798 HD22 LEU 98 HD22 LEU 98 80.212 -1.496 -2.844 799 HD23 LEU 98 HD23 LEU 98 80.770 -0.871 -1.292 800 H LYS 99 H LYS 99 76.232 1.958 -1.883 801 HA LYS 99 HA LYS 99 75.172 0.686 0.366 802 HB2 LYS 99 HB2 LYS 99 74.184 2.941 -1.368 803 HB3 LYS 99 HB3 LYS 99 73.242 2.367 0.008 804 HG2 LYS 99 HG2 LYS 99 75.318 2.682 1.432 805 HG3 LYS 99 HG3 LYS 99 76.054 3.493 0.051 806 HD2 LYS 99 HD2 LYS 99 73.400 4.337 1.244 807 HD3 LYS 99 HD3 LYS 99 74.941 5.030 1.743 808 HE2 LYS 99 HE2 LYS 99 75.223 5.346 -0.905 809 HE3 LYS 99 HE3 LYS 99 73.462 5.357 -0.831 810 HZ1 LYS 99 HZ1 LYS 99 74.013 6.963 1.190 811 HZ2 LYS 99 HZ2 LYS 99 73.829 7.527 -0.403 812 HZ3 LYS 99 HZ3 LYS 99 75.382 7.267 0.236 813 H LYS 100 H LYS 100 73.689 1.046 -2.869 814 HA LYS 100 HA LYS 100 71.447 -0.605 -2.236 815 HB2 LYS 100 HB2 LYS 100 72.574 0.218 -4.921 816 HB3 LYS 100 HB3 LYS 100 70.993 -0.518 -4.660 817 HG2 LYS 100 HG2 LYS 100 70.221 1.361 -3.397 818 HG3 LYS 100 HG3 LYS 100 71.847 2.035 -3.282 819 HD2 LYS 100 HD2 LYS 100 71.870 2.314 -5.760 820 HD3 LYS 100 HD3 LYS 100 70.202 1.742 -5.812 821 HE2 LYS 100 HE2 LYS 100 71.060 4.097 -4.118 822 HE3 LYS 100 HE3 LYS 100 70.502 4.277 -5.781 823 HZ1 LYS 100 HZ1 LYS 100 68.946 4.087 -3.510 824 HZ2 LYS 100 HZ2 LYS 100 68.745 2.607 -4.320 825 HZ3 LYS 100 HZ3 LYS 100 68.414 4.067 -5.120 826 H ALA 101 H ALA 101 74.657 -1.253 -3.433 827 HA ALA 101 HA ALA 101 73.985 -3.940 -4.330 828 HB1 ALA 101 HB1 ALA 101 76.671 -2.573 -4.055 829 HB2 ALA 101 HB2 ALA 101 75.696 -2.631 -5.523 830 HB3 ALA 101 HB3 ALA 101 76.374 -4.116 -4.856 831 H THR 102 H THR 102 75.072 -2.389 -1.447 832 HA THR 102 HA THR 102 76.094 -4.880 -0.301 833 HB THR 102 HB THR 102 76.548 -3.408 1.698 834 HG1 THR 102 HG1 THR 102 74.978 -1.785 0.268 835 HG21 THR 102 HG21 THR 102 78.453 -3.649 0.403 836 HG22 THR 102 HG22 THR 102 78.211 -1.909 0.267 837 HG23 THR 102 HG23 THR 102 77.690 -2.975 -1.037 838 H ASN 103 H ASN 103 73.169 -3.591 -0.837 839 HA ASN 103 HA ASN 103 71.998 -4.575 1.697 840 HB2 ASN 103 HB2 ASN 103 71.167 -2.468 -0.276 841 HB3 ASN 103 HB1 ASN 103 69.955 -3.262 0.723 842 HD21 ASN 103 HD21 ASN 103 73.239 -2.734 1.910 843 HD22 ASN 103 HD22 ASN 103 72.817 -1.556 3.055 844 H GLU 104 H GLU 104 72.187 -4.944 -1.732 845 HA GLU 104 HA GLU 104 70.936 -6.228 -3.234 846 HB2 GLU 104 HB2 GLU 104 71.920 -8.041 -1.039 847 HB3 GLU 104 HB3 GLU 104 71.096 -8.684 -2.459 848 HG2 GLU 104 HG2 GLU 104 73.387 -6.758 -2.784 849 HG3 GLU 104 HG3 GLU 104 73.702 -8.469 -2.505 850 HHA HEC 201 HA HEC 105 89.314 -3.832 3.266 851 HHB HEC 201 HB HEC 105 85.514 -0.199 -0.259 852 HHC HEC 201 HC HEC 105 88.870 -1.722 -5.406 853 HHD HEC 201 HD HEC 105 92.273 -5.793 -1.966 854 HMA1 HEC 201 HMA1 HEC 105 85.697 0.532 2.558 855 HMA2 HEC 201 HMA2 HEC 105 85.040 -0.860 3.417 856 HMA3 HEC 201 HMA3 HEC 105 84.558 -0.547 1.754 857 HAA1 HEC 201 HAA1 HEC 105 86.889 -1.347 4.656 858 HAA2 HEC 201 HAA2 HEC 105 88.279 -2.410 4.588 859 HBA1 HEC 201 HBA1 HEC 105 86.965 -4.347 4.579 860 HBA2 HEC 201 HBA2 HEC 105 85.531 -3.488 4.023 861 HMB1 HEC 201 HMB1 HEC 105 84.986 1.263 -1.972 862 HMB2 HEC 201 HMB2 HEC 105 84.086 -0.059 -2.712 863 HMB3 HEC 201 HMB3 HEC 105 84.848 1.160 -3.725 864 HAB HEC 201 HAB HEC 105 87.366 -0.530 -6.033 865 HBB1 HEC 201 HBB1 HEC 105 87.980 1.680 -5.692 866 HBB2 HEC 201 HBB2 HEC 105 86.330 1.887 -6.275 867 HBB3 HEC 201 HBB3 HEC 105 86.675 1.980 -4.549 868 HMC1 HEC 201 HMC1 HEC 105 91.237 -4.237 -6.858 869 HMC2 HEC 201 HMC2 HEC 105 91.466 -2.519 -6.536 870 HMC3 HEC 201 HMC3 HEC 105 89.844 -3.162 -6.785 871 HAC HEC 201 HAC HEC 105 92.727 -6.147 -3.900 872 HBC1 HEC 201 HBC1 HEC 105 93.274 -3.952 -5.807 873 HBC2 HEC 201 HBC2 HEC 105 93.676 -5.562 -6.402 874 HBC3 HEC 201 HBC3 HEC 105 94.399 -4.969 -4.908 875 HMD1 HEC 201 HMD1 HEC 105 93.287 -6.737 1.529 876 HMD2 HEC 201 HMD2 HEC 105 93.514 -6.350 -0.173 877 HMD3 HEC 201 HMD3 HEC 105 92.379 -7.614 0.298 878 HAD1 HEC 201 HAD1 HEC 105 91.860 -6.603 3.159 879 HAD2 HEC 201 HAD2 HEC 105 90.394 -5.804 3.688 880 HBD1 HEC 201 HBD1 HEC 105 91.816 -3.651 3.771 881 HBD2 HEC 201 HBD2 HEC 105 93.207 -4.730 3.675 882 H1 HOH 301 H2 HOH 200 83.620 2.751 -1.335 883 H2 HOH 301 H1 HOH 200 82.328 3.534 -1.252 884 H1 HOH 302 H2 HOH 201 85.486 5.370 6.180 885 H2 HOH 302 H1 HOH 201 86.984 5.246 6.351 886 H1 HOH 303 H2 HOH 202 83.880 -4.796 5.493 887 H2 HOH 303 H1 HOH 202 82.503 -5.409 5.657 888 H1 HOH 304 H2 HOH 203 83.836 -10.008 0.372 889 H2 HOH 304 H1 HOH 203 83.023 -9.441 -0.771 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 72.960 11.267 -5.960 2 H2 GLY 1 H2 GLY 1 73.602 11.444 -7.523 3 H3 GLY 1 H3 GLY 1 74.543 11.841 -6.165 4 HA2 GLY 1 HA2 GLY 1 75.415 9.806 -6.531 5 HA3 GLY 1 HA3 GLY 1 74.018 9.327 -5.565 6 H ASP 2 H ASP 2 75.638 8.612 -8.311 7 HA ASP 2 HA ASP 2 73.218 7.787 -9.805 8 HB2 ASP 2 HB2 ASP 2 76.038 8.378 -10.693 9 HB3 ASP 2 HB1 ASP 2 74.886 7.519 -11.711 10 H VAL 3 H VAL 3 72.860 5.881 -8.624 11 HA VAL 3 HA VAL 3 74.765 3.920 -8.025 12 HB VAL 3 HB VAL 3 72.628 3.728 -7.002 13 HG11 VAL 3 HG11 VAL 3 71.592 3.886 -9.834 14 HG12 VAL 3 HG12 VAL 3 71.195 4.922 -8.464 15 HG13 VAL 3 HG13 VAL 3 70.592 3.266 -8.520 16 HG21 VAL 3 HG21 VAL 3 72.476 1.579 -9.116 17 HG22 VAL 3 HG22 VAL 3 72.096 1.462 -7.400 18 HG23 VAL 3 HG23 VAL 3 73.773 1.583 -7.925 19 H GLU 4 H GLU 4 73.428 4.900 -11.029 20 HA GLU 4 HA GLU 4 73.797 2.417 -12.432 21 HB2 GLU 4 HB2 GLU 4 73.453 5.260 -13.409 22 HB3 GLU 4 HB3 GLU 4 73.512 3.850 -14.467 23 HG2 GLU 4 HG2 GLU 4 71.534 2.918 -13.474 24 HG3 GLU 4 HG3 GLU 4 71.550 4.113 -12.179 25 H LYS 5 H LYS 5 75.526 5.542 -12.606 26 HA LYS 5 HA LYS 5 77.736 4.407 -14.034 27 HB2 LYS 5 HB2 LYS 5 77.008 7.056 -12.913 28 HB3 LYS 5 HB3 LYS 5 78.737 6.726 -12.988 29 HG2 LYS 5 HG2 LYS 5 78.020 7.792 -15.068 30 HG3 LYS 5 HG3 LYS 5 78.500 6.128 -15.390 31 HD2 LYS 5 HD2 LYS 5 76.415 6.609 -16.566 32 HD3 LYS 5 HD3 LYS 5 76.105 5.443 -15.282 33 HE2 LYS 5 HE2 LYS 5 74.502 7.503 -15.571 34 HE3 LYS 5 HE3 LYS 5 74.985 7.005 -13.952 35 HZ1 LYS 5 HZ1 LYS 5 76.510 8.735 -13.793 36 HZ2 LYS 5 HZ2 LYS 5 75.180 9.459 -14.561 37 HZ3 LYS 5 HZ3 LYS 5 76.542 9.006 -15.468 38 H GLY 6 H GLY 6 76.790 4.551 -10.754 39 HA2 GLY 6 HA2 GLY 6 79.385 4.354 -9.557 40 HA3 GLY 6 HA3 GLY 6 77.849 3.948 -8.787 41 H LYS 7 H LYS 7 76.972 2.130 -10.794 42 HA LYS 7 HA LYS 7 78.164 -0.279 -9.873 43 HB2 LYS 7 HB2 LYS 7 75.794 -0.012 -10.706 44 HB3 LYS 7 HB3 LYS 7 76.451 0.092 -12.338 45 HG2 LYS 7 HG2 LYS 7 77.708 -2.159 -11.490 46 HG3 LYS 7 HG3 LYS 7 76.235 -2.263 -10.531 47 HD2 LYS 7 HD2 LYS 7 75.601 -3.366 -12.490 48 HD3 LYS 7 HD3 LYS 7 75.033 -1.727 -12.805 49 HE2 LYS 7 HE2 LYS 7 77.402 -1.371 -13.853 50 HE3 LYS 7 HE3 LYS 7 77.451 -3.133 -13.918 51 HZ1 LYS 7 HZ1 LYS 7 75.186 -2.940 -15.017 52 HZ2 LYS 7 HZ2 LYS 7 76.536 -2.489 -15.944 53 HZ3 LYS 7 HZ3 LYS 7 75.549 -1.299 -15.240 54 H LYS 8 H LYS 8 78.403 1.596 -12.884 55 HA LYS 8 HA LYS 8 80.024 -0.186 -14.332 56 HB2 LYS 8 HB2 LYS 8 78.970 1.695 -15.420 57 HB3 LYS 8 HB3 LYS 8 79.859 2.833 -14.408 58 HG2 LYS 8 HG2 LYS 8 81.569 0.905 -15.867 59 HG3 LYS 8 HG3 LYS 8 80.673 2.012 -16.906 60 HD2 LYS 8 HD2 LYS 8 82.158 3.073 -14.509 61 HD3 LYS 8 HD3 LYS 8 83.022 2.740 -16.008 62 HE2 LYS 8 HE2 LYS 8 80.533 4.459 -15.885 63 HE3 LYS 8 HE3 LYS 8 82.167 5.114 -15.787 64 HZ1 LYS 8 HZ1 LYS 8 81.544 5.216 -18.038 65 HZ2 LYS 8 HZ2 LYS 8 80.933 3.630 -18.033 66 HZ3 LYS 8 HZ3 LYS 8 82.606 3.899 -17.923 67 H ILE 9 H ILE 9 80.924 2.515 -12.198 68 HA ILE 9 HA ILE 9 83.728 2.206 -12.490 69 HB ILE 9 HB ILE 9 82.118 3.433 -10.241 70 HG12 ILE 9 HG12 ILE 9 83.555 4.798 -12.532 71 HG13 ILE 9 HG13 ILE 9 81.846 4.370 -12.601 72 HG21 ILE 9 HG21 ILE 9 84.327 2.999 -9.428 73 HG22 ILE 9 HG22 ILE 9 84.302 4.701 -9.893 74 HG23 ILE 9 HG23 ILE 9 85.059 3.509 -10.949 75 HD11 ILE 9 HD11 ILE 9 81.471 5.686 -10.512 76 HD12 ILE 9 HD12 ILE 9 82.056 6.680 -11.845 77 HD13 ILE 9 HD13 ILE 9 83.160 6.189 -10.562 78 H PHE 10 H PHE 10 81.358 0.529 -10.612 79 HA PHE 10 HA PHE 10 83.234 -0.493 -8.662 80 HB2 PHE 10 HB2 PHE 10 81.106 -0.364 -7.750 81 HB3 PHE 10 HB1 PHE 10 80.321 -0.883 -9.242 82 HD1 PHE 10 HD1 PHE 10 80.267 -3.256 -9.881 83 HD2 PHE 10 HD2 PHE 10 82.031 -1.979 -6.184 84 HE1 PHE 10 HE1 PHE 10 80.270 -5.600 -9.079 85 HE2 PHE 10 HE2 PHE 10 82.037 -4.326 -5.377 86 HZ PHE 10 HZ PHE 10 81.157 -6.136 -6.830 87 H VAL 11 H VAL 11 81.365 -1.963 -11.335 88 HA VAL 11 HA VAL 11 82.355 -4.549 -11.135 89 HB VAL 11 HB VAL 11 81.801 -4.770 -13.548 90 HG11 VAL 11 HG11 VAL 11 80.096 -4.780 -11.638 91 HG12 VAL 11 HG12 VAL 11 79.461 -4.455 -13.250 92 HG13 VAL 11 HG13 VAL 11 79.710 -3.129 -12.117 93 HG21 VAL 11 HG21 VAL 11 80.908 -2.802 -14.725 94 HG22 VAL 11 HG22 VAL 11 82.577 -2.514 -14.230 95 HG23 VAL 11 HG23 VAL 11 81.249 -1.800 -13.316 96 H GLN 12 H GLN 12 83.822 -1.708 -12.567 97 HA GLN 12 HA GLN 12 86.008 -3.346 -13.644 98 HB2 GLN 12 HB2 GLN 12 86.762 -1.292 -14.730 99 HB3 GLN 12 HB1 GLN 12 85.069 -1.626 -15.090 100 HG2 GLN 12 HG2 GLN 12 84.643 -0.096 -12.964 101 HG3 GLN 12 HG1 GLN 12 86.250 0.512 -13.350 102 HE21 GLN 12 HE21 GLN 12 83.617 -0.551 -15.557 103 HE22 GLN 12 HE22 GLN 12 83.529 0.921 -16.385 104 H LYS 13 H LYS 13 85.384 -1.193 -10.953 105 HA LYS 13 HA LYS 13 88.277 -1.001 -10.442 106 HB2 LYS 13 HB2 LYS 13 86.696 1.025 -10.425 107 HB3 LYS 13 HB3 LYS 13 86.171 0.429 -8.850 108 HG2 LYS 13 HG2 LYS 13 88.400 0.589 -7.961 109 HG3 LYS 13 HG3 LYS 13 89.081 0.894 -9.555 110 HD2 LYS 13 HD2 LYS 13 86.964 2.765 -8.565 111 HD3 LYS 13 HD3 LYS 13 88.576 2.896 -7.862 112 HE2 LYS 13 HE2 LYS 13 88.192 2.785 -10.852 113 HE3 LYS 13 HE3 LYS 13 88.070 4.308 -9.973 114 HZ1 LYS 13 HZ1 LYS 13 90.329 3.217 -8.976 115 HZ2 LYS 13 HZ2 LYS 13 90.271 4.383 -10.209 116 HZ3 LYS 13 HZ3 LYS 13 90.394 2.733 -10.600 117 H CYS 14 H CYS 14 85.404 -1.494 -8.315 118 HA CYS 14 HA CYS 14 87.128 -2.741 -6.351 119 HB2 CYS 14 HB2 CYS 14 84.156 -2.673 -6.094 120 HB3 CYS 14 HB1 CYS 14 85.382 -2.535 -4.839 121 H ALA 15 H ALA 15 84.612 -3.922 -8.553 122 HA ALA 15 HA ALA 15 84.108 -6.397 -7.471 123 HB1 ALA 15 HB1 ALA 15 84.324 -5.450 -10.306 124 HB2 ALA 15 HB2 ALA 15 82.893 -5.943 -9.403 125 HB3 ALA 15 HB3 ALA 15 84.037 -7.158 -9.974 126 H GLN 16 H GLN 16 87.045 -5.273 -8.960 127 HA GLN 16 HA GLN 16 88.333 -7.572 -9.725 128 HB2 GLN 16 HB2 GLN 16 89.260 -5.000 -8.530 129 HB3 GLN 16 HB1 GLN 16 90.425 -6.313 -8.683 130 HG2 GLN 16 HG2 GLN 16 89.911 -6.501 -11.083 131 HG3 GLN 16 HG1 GLN 16 88.729 -5.202 -10.938 132 HE21 GLN 16 HE21 GLN 16 89.816 -3.135 -9.755 133 HE22 GLN 16 HE22 GLN 16 91.333 -2.699 -10.381 134 H CYS 17 H CYS 17 88.500 -6.188 -6.409 135 HA CYS 17 HA CYS 17 88.960 -8.944 -5.425 136 HB2 CYS 17 HB2 CYS 17 90.208 -6.781 -3.848 137 HB3 CYS 17 HB1 CYS 17 90.837 -8.366 -4.282 138 H HIS 18 H HSD 18 86.407 -8.148 -5.413 139 HA HIS 18 HA HSD 18 85.839 -7.972 -2.577 140 HB2 HIS 18 HB2 HSD 18 85.257 -5.686 -4.430 141 HB3 HIS 18 HB1 HSD 18 84.163 -6.024 -3.091 142 HD1 HIS 18 HD1 HSD 18 85.112 -5.754 -0.665 143 HD2 HIS 18 HD2 HSD 18 87.781 -4.666 -3.671 144 HE1 HIS 18 HE1 HSD 18 86.984 -4.477 0.469 145 H THR 19 H THR 19 83.260 -7.662 -2.404 146 HA THR 19 HA THR 19 81.962 -9.329 -4.462 147 HB THR 19 HB THR 19 81.049 -9.917 -1.738 148 HG1 THR 19 HG1 THR 19 83.293 -11.276 -1.957 149 HG21 THR 19 HG21 THR 19 82.269 -11.791 -3.764 150 HG22 THR 19 HG22 THR 19 80.632 -11.163 -3.953 151 HG23 THR 19 HG23 THR 19 81.044 -12.143 -2.546 152 H VAL 20 H VAL 20 81.579 -7.223 -1.646 153 HA VAL 20 HA VAL 20 79.840 -5.891 -0.948 154 HB VAL 20 HB VAL 20 79.238 -4.201 -2.547 155 HG11 VAL 20 HG11 VAL 20 82.040 -5.167 -3.175 156 HG12 VAL 20 HG12 VAL 20 81.602 -4.308 -1.701 157 HG13 VAL 20 HG13 VAL 20 81.447 -3.511 -3.266 158 HG21 VAL 20 HG21 VAL 20 80.481 -5.903 -4.710 159 HG22 VAL 20 HG22 VAL 20 79.530 -4.433 -4.898 160 HG23 VAL 20 HG23 VAL 20 78.750 -5.926 -4.386 161 H GLU 21 H GLU 21 79.046 -8.658 -1.878 162 HA GLU 21 HA GLU 21 76.200 -8.027 -2.407 163 HB2 GLU 21 HB2 GLU 21 75.981 -9.929 -3.781 164 HB3 GLU 21 HB3 GLU 21 77.504 -9.200 -4.285 165 HG2 GLU 21 HG2 GLU 21 78.602 -10.778 -2.550 166 HG3 GLU 21 HG3 GLU 21 77.067 -11.646 -2.581 167 H LYS 22 H LYS 22 74.979 -8.433 -0.706 168 HA LYS 22 HA LYS 22 75.827 -9.775 1.605 169 HB2 LYS 22 HB2 LYS 22 73.953 -8.142 1.511 170 HB3 LYS 22 HB3 LYS 22 72.977 -9.352 0.679 171 HG2 LYS 22 HG2 LYS 22 72.702 -10.639 2.572 172 HG3 LYS 22 HG3 LYS 22 74.275 -10.196 3.233 173 HD2 LYS 22 HD2 LYS 22 72.456 -9.205 4.566 174 HD3 LYS 22 HD3 LYS 22 73.417 -7.950 3.785 175 HE2 LYS 22 HE2 LYS 22 71.760 -7.589 2.106 176 HE3 LYS 22 HE3 LYS 22 70.893 -9.060 2.545 177 HZ1 LYS 22 HZ1 LYS 22 70.065 -6.771 3.392 178 HZ2 LYS 22 HZ2 LYS 22 71.285 -6.957 4.560 179 HZ3 LYS 22 HZ3 LYS 22 70.044 -8.110 4.433 180 H GLY 23 H GLY 23 75.509 -11.824 2.395 181 HA2 GLY 23 HA2 GLY 23 75.072 -14.087 2.387 182 HA3 GLY 23 HA3 GLY 23 73.918 -13.806 1.086 183 H GLY 24 H GLY 24 77.084 -12.595 0.584 184 HA2 GLY 24 HA2 GLY 24 77.557 -14.658 -1.461 185 HA3 GLY 24 HA3 GLY 24 78.339 -13.083 -1.378 186 H LYS 25 H LYS 25 80.448 -13.690 -1.347 187 HA LYS 25 HA LYS 25 81.427 -14.886 1.121 188 HB2 LYS 25 HB2 LYS 25 82.888 -16.484 -0.189 189 HB3 LYS 25 HB3 LYS 25 81.174 -16.892 -0.156 190 HG2 LYS 25 HG2 LYS 25 82.069 -15.135 -2.393 191 HG3 LYS 25 HG3 LYS 25 82.610 -16.811 -2.449 192 HD2 LYS 25 HD2 LYS 25 80.248 -17.554 -2.170 193 HD3 LYS 25 HD3 LYS 25 79.736 -15.867 -2.215 194 HE2 LYS 25 HE2 LYS 25 79.463 -16.628 -4.445 195 HE3 LYS 25 HE3 LYS 25 80.983 -15.732 -4.466 196 HZ1 LYS 25 HZ1 LYS 25 82.219 -17.706 -4.422 197 HZ2 LYS 25 HZ2 LYS 25 80.987 -17.992 -5.556 198 HZ3 LYS 25 HZ3 LYS 25 80.877 -18.652 -3.994 199 H HIS 26 H HIS 26 83.450 -14.188 1.662 200 HA HIS 26 HA HIS 26 84.440 -11.816 0.597 201 HB2 HIS 26 HB2 HIS 26 86.354 -13.739 1.856 202 HB3 HIS 26 HB1 HIS 26 86.162 -12.009 2.129 203 HD1 HIS 26 HD1 HIS 26 84.838 -15.340 3.191 204 HD2 HIS 26 HD2 HIS 26 84.074 -11.317 3.970 205 HE1 HIS 26 HE1 HIS 26 83.325 -15.278 5.221 206 HE2 HIS 26 HE2 HIS 26 82.851 -12.832 5.709 207 H LYS 27 H LYS 27 85.327 -11.413 -1.310 208 HA LYS 27 HA LYS 27 86.774 -13.583 -2.706 209 HB2 LYS 27 HB2 LYS 27 84.626 -12.205 -3.627 210 HB3 LYS 27 HB3 LYS 27 85.922 -11.171 -4.217 211 HG2 LYS 27 HG2 LYS 27 85.532 -12.769 -5.947 212 HG3 LYS 27 HG3 LYS 27 87.017 -13.280 -5.146 213 HD2 LYS 27 HD2 LYS 27 86.032 -15.147 -4.204 214 HD3 LYS 27 HD3 LYS 27 84.447 -14.385 -4.084 215 HE2 LYS 27 HE2 LYS 27 84.619 -16.231 -5.815 216 HE3 LYS 27 HE3 LYS 27 84.029 -14.687 -6.428 217 HZ1 LYS 27 HZ1 LYS 27 85.779 -15.761 -7.813 218 HZ2 LYS 27 HZ2 LYS 27 86.875 -15.514 -6.538 219 HZ3 LYS 27 HZ3 LYS 27 86.155 -14.184 -7.312 220 H THR 28 H THR 28 88.844 -13.283 -1.964 221 HA THR 28 HA THR 28 90.887 -12.268 -1.630 222 HB THR 28 HB THR 28 90.238 -10.589 -4.043 223 HG1 THR 28 HG1 THR 28 89.835 -12.347 -5.080 224 HG21 THR 28 HG21 THR 28 92.488 -10.638 -2.677 225 HG22 THR 28 HG22 THR 28 92.537 -10.659 -4.440 226 HG23 THR 28 HG23 THR 28 92.748 -12.157 -3.533 227 H GLY 29 H GLY 29 88.486 -11.008 -0.426 228 HA2 GLY 29 HA2 GLY 29 89.690 -8.738 0.718 229 HA3 GLY 29 HA3 GLY 29 88.586 -8.200 -0.544 230 HA PRO 30 HA PRO 30 86.344 -9.311 3.513 231 HB2 PRO 30 HB2 PRO 30 85.919 -6.794 4.496 232 HB3 PRO 30 HB1 PRO 30 87.350 -7.764 4.900 233 HG2 PRO 30 HG2 PRO 30 87.060 -5.551 2.922 234 HG3 PRO 30 HG1 PRO 30 88.388 -5.895 4.043 235 HD2 PRO 30 HD2 PRO 30 88.491 -6.545 1.385 236 HD3 PRO 30 HD1 PRO 30 89.346 -7.472 2.638 237 H ASN 31 H ASN 31 84.098 -9.235 3.688 238 HA ASN 31 HA ASN 31 82.673 -8.302 1.359 239 HB2 ASN 31 HB2 ASN 31 80.792 -9.432 2.260 240 HB3 ASN 31 HB1 ASN 31 82.180 -10.430 2.685 241 HD21 ASN 31 HD21 ASN 31 83.175 -9.755 4.960 242 HD22 ASN 31 HD22 ASN 31 82.037 -9.459 6.185 243 H LEU 32 H LEU 32 81.940 -6.305 1.112 244 HA LEU 32 HA LEU 32 81.843 -4.457 3.328 245 HB2 LEU 32 HB2 LEU 32 80.843 -3.945 0.527 246 HB3 LEU 32 HB3 LEU 32 81.399 -2.769 1.712 247 HG LEU 32 HG LEU 32 83.026 -4.721 0.085 248 HD11 LEU 32 HD11 LEU 32 82.782 -2.539 -0.895 249 HD12 LEU 32 HD12 LEU 32 84.401 -2.604 -0.206 250 HD13 LEU 32 HD13 LEU 32 83.117 -1.742 0.640 251 HD21 LEU 32 HD21 LEU 32 83.896 -5.110 2.276 252 HD22 LEU 32 HD22 LEU 32 83.770 -3.406 2.705 253 HD23 LEU 32 HD23 LEU 32 84.980 -3.932 1.540 254 H HIS 33 H HIS 33 80.000 -6.708 3.476 255 HA HIS 33 HA HIS 33 77.357 -5.995 2.795 256 HB2 HIS 33 HB2 HIS 33 78.354 -7.683 5.106 257 HB3 HIS 33 HB1 HIS 33 76.687 -7.621 4.538 258 HD1 HIS 33 HD1 HIS 33 78.130 -10.302 4.417 259 HD2 HIS 33 HD2 HIS 33 78.166 -7.575 1.264 260 HE1 HIS 33 HE1 HIS 33 78.633 -11.635 2.324 261 HE2 HIS 33 HE2 HIS 33 78.655 -9.988 0.393 262 H GLY 34 H GLY 34 75.823 -4.746 3.807 263 HA2 GLY 34 HA2 GLY 34 75.204 -2.847 5.026 264 HA3 GLY 34 HA3 GLY 34 75.463 -3.971 6.358 265 H LEU 35 H LEU 35 78.027 -2.910 4.261 266 HA LEU 35 HA LEU 35 79.920 -2.308 6.109 267 HB2 LEU 35 HB2 LEU 35 80.396 -2.336 3.740 268 HB3 LEU 35 HB3 LEU 35 79.363 -0.939 3.471 269 HG LEU 35 HG LEU 35 81.051 0.115 5.310 270 HD11 LEU 35 HD11 LEU 35 82.282 -2.162 5.256 271 HD12 LEU 35 HD12 LEU 35 83.258 -0.698 5.120 272 HD13 LEU 35 HD13 LEU 35 82.876 -1.638 3.681 273 HD21 LEU 35 HD21 LEU 35 81.796 -0.122 2.386 274 HD22 LEU 35 HD22 LEU 35 82.166 1.212 3.478 275 HD23 LEU 35 HD23 LEU 35 80.501 0.923 2.972 276 H PHE 36 H PHE 36 77.784 0.137 4.645 277 HA PHE 36 HA PHE 36 78.570 2.311 6.175 278 HB2 PHE 36 HB2 PHE 36 75.737 1.819 5.241 279 HB3 PHE 36 HB1 PHE 36 76.528 3.372 5.504 280 HD1 PHE 36 HD2 PHE 36 76.562 0.305 3.389 281 HD2 PHE 36 HD1 PHE 36 77.907 4.367 3.814 282 HE1 PHE 36 HE2 PHE 36 77.416 0.269 1.064 283 HE2 PHE 36 HE1 PHE 36 78.749 4.330 1.493 284 HZ PHE 36 HZ PHE 36 78.508 2.283 0.112 285 H GLY 37 H GLY 37 78.908 1.761 8.351 286 HA2 GLY 37 HA2 GLY 37 77.334 2.440 10.316 287 HA3 GLY 37 HA3 GLY 37 76.552 0.922 9.907 288 H ARG 38 H ARG 38 79.235 -0.302 9.229 289 HA ARG 38 HA ARG 38 79.850 -1.128 11.962 290 HB2 ARG 38 HB2 ARG 38 80.259 -2.226 9.252 291 HB3 ARG 38 HB3 ARG 38 81.567 -2.552 10.387 292 HG2 ARG 38 HG2 ARG 38 79.767 -3.339 12.027 293 HG3 ARG 38 HG3 ARG 38 78.647 -3.290 10.666 294 HD2 ARG 38 HD2 ARG 38 81.263 -4.774 10.471 295 HD3 ARG 38 HD3 ARG 38 79.845 -5.534 11.180 296 HE ARG 38 HE ARG 38 78.756 -4.814 8.923 297 HH11 ARG 38 HH21 ARG 38 82.033 -5.881 9.406 298 HH12 ARG 38 HH22 ARG 38 82.187 -6.531 7.811 299 HH21 ARG 38 HH11 ARG 38 78.973 -5.689 6.852 300 HH22 ARG 38 HH12 ARG 38 80.461 -6.431 6.373 301 H LYS 39 H LYS 39 82.023 -1.280 12.769 302 HA LYS 39 HA LYS 39 83.553 1.116 12.272 303 HB2 LYS 39 HB2 LYS 39 83.621 -1.117 14.246 304 HB3 LYS 39 HB3 LYS 39 85.101 -0.194 14.004 305 HG2 LYS 39 HG2 LYS 39 82.504 1.269 14.409 306 HG3 LYS 39 HG3 LYS 39 83.345 0.596 15.805 307 HD2 LYS 39 HD2 LYS 39 85.425 1.812 15.036 308 HD3 LYS 39 HD3 LYS 39 84.431 2.609 13.817 309 HE2 LYS 39 HE2 LYS 39 84.470 4.116 15.654 310 HE3 LYS 39 HE3 LYS 39 82.902 3.315 15.756 311 HZ1 LYS 39 HZ1 LYS 39 83.441 2.576 17.755 312 HZ2 LYS 39 HZ2 LYS 39 84.941 3.369 17.665 313 HZ3 LYS 39 HZ3 LYS 39 84.791 1.764 17.127 314 H THR 40 H THR 40 85.941 1.013 11.964 315 HA THR 40 HA THR 40 86.588 -0.385 9.601 316 HB THR 40 HB THR 40 88.952 0.399 10.157 317 HG1 THR 40 HG1 THR 40 87.527 1.719 12.220 318 HG21 THR 40 HG21 THR 40 88.147 2.884 10.016 319 HG22 THR 40 HG22 THR 40 86.539 2.172 9.882 320 HG23 THR 40 HG23 THR 40 87.774 1.788 8.685 321 H GLY 41 H GLY 41 87.755 -2.184 9.179 322 HA2 GLY 41 HA2 GLY 41 88.480 -4.335 9.538 323 HA3 GLY 41 HA3 GLY 41 89.478 -3.596 10.788 324 H GLN 42 H GLN 42 85.974 -4.183 10.463 325 HA GLN 42 HA GLN 42 86.014 -5.381 13.169 326 HB2 GLN 42 HB2 GLN 42 84.588 -3.393 12.930 327 HB3 GLN 42 HB1 GLN 42 83.698 -4.187 11.629 328 HG2 GLN 42 HG2 GLN 42 82.840 -5.857 13.097 329 HG3 GLN 42 HG1 GLN 42 83.973 -5.421 14.374 330 HE21 GLN 42 HE21 GLN 42 81.988 -3.191 12.382 331 HE22 GLN 42 HE22 GLN 42 81.119 -2.555 13.693 332 H ALA 43 H ALA 43 85.459 -6.064 9.839 333 HA ALA 43 HA ALA 43 83.757 -8.345 10.285 334 HB1 ALA 43 HB1 ALA 43 85.044 -8.466 7.732 335 HB2 ALA 43 HB2 ALA 43 84.596 -6.792 8.057 336 HB3 ALA 43 HB3 ALA 43 83.369 -8.056 8.098 337 HA PRO 44 HA PRO 44 87.322 -10.931 11.214 338 HB2 PRO 44 HB2 PRO 44 85.981 -13.178 11.905 339 HB3 PRO 44 HB1 PRO 44 86.013 -11.744 12.952 340 HG2 PRO 44 HG2 PRO 44 83.874 -12.685 11.101 341 HG3 PRO 44 HG1 PRO 44 83.734 -11.995 12.727 342 HD2 PRO 44 HD2 PRO 44 83.332 -10.553 10.404 343 HD3 PRO 44 HD1 PRO 44 83.815 -9.827 11.954 344 H GLY 45 H GLY 45 85.820 -10.749 8.460 345 HA2 GLY 45 HA2 GLY 45 86.063 -13.407 7.368 346 HA3 GLY 45 HA3 GLY 45 85.710 -11.935 6.470 347 H PHE 46 H PHE 46 87.690 -10.347 6.487 348 HA PHE 46 HA PHE 46 89.970 -11.898 5.474 349 HB2 PHE 46 HB2 PHE 46 88.807 -10.022 4.154 350 HB3 PHE 46 HB1 PHE 46 89.611 -8.912 5.265 351 HD1 PHE 46 HD1 PHE 46 92.123 -8.924 5.434 352 HD2 PHE 46 HD2 PHE 46 90.011 -11.125 2.411 353 HE1 PHE 46 HE1 PHE 46 94.215 -9.126 4.120 354 HE2 PHE 46 HE2 PHE 46 92.103 -11.328 1.095 355 HZ PHE 46 HZ PHE 46 94.206 -10.328 1.950 356 H THR 47 H THR 47 92.137 -11.332 6.038 357 HA THR 47 HA THR 47 92.501 -10.857 8.834 358 HB THR 47 HB THR 47 94.567 -10.922 6.625 359 HG1 THR 47 HG1 THR 47 93.390 -12.833 6.703 360 HG21 THR 47 HG21 THR 47 96.016 -11.671 8.582 361 HG22 THR 47 HG22 THR 47 94.709 -11.132 9.636 362 HG23 THR 47 HG23 THR 47 95.534 -9.974 8.593 363 H TYR 48 H TYR 48 91.561 -8.789 9.136 364 HA TYR 48 HA TYR 48 92.338 -6.454 7.758 365 HB2 TYR 48 HB2 TYR 48 90.980 -7.035 10.355 366 HB3 TYR 48 HB3 TYR 48 91.527 -5.392 10.042 367 HD1 TYR 48 HD2 TYR 48 91.001 -4.530 7.576 368 HD2 TYR 48 HD1 TYR 48 88.831 -7.601 9.641 369 HE1 TYR 48 HE2 TYR 48 89.038 -4.115 6.122 370 HE2 TYR 48 HE1 TYR 48 86.870 -7.184 8.190 371 HH TYR 48 HH TYR 48 86.392 -4.519 6.462 372 H THR 49 H THR 49 93.690 -4.757 8.357 373 HA THR 49 HA THR 49 96.126 -5.599 9.709 374 HB THR 49 HB THR 49 96.992 -3.408 8.960 375 HG1 THR 49 HG1 THR 49 94.490 -3.049 7.708 376 HG21 THR 49 HG21 THR 49 96.327 -3.824 6.418 377 HG22 THR 49 HG22 THR 49 95.645 -5.308 7.077 378 HG23 THR 49 HG23 THR 49 97.362 -4.961 7.280 379 H ASP 50 H ASP 50 97.124 -4.221 11.373 380 HA ASP 50 HA ASP 50 95.487 -3.836 13.598 381 HB2 ASP 50 HB2 ASP 50 97.897 -4.089 13.805 382 HB3 ASP 50 HB1 ASP 50 98.157 -2.566 12.956 383 H ALA 51 H ALA 51 96.528 -1.529 11.129 384 HA ALA 51 HA ALA 51 95.577 0.815 12.357 385 HB1 ALA 51 HB1 ALA 51 95.654 0.246 9.388 386 HB2 ALA 51 HB2 ALA 51 97.065 0.706 10.340 387 HB3 ALA 51 HB3 ALA 51 95.709 1.822 10.175 388 H ASN 52 H ASN 52 93.963 -1.531 10.242 389 HA ASN 52 HA ASN 52 91.492 -0.023 10.227 390 HB2 ASN 52 HB2 ASN 52 92.616 -2.050 8.639 391 HB3 ASN 52 HB1 ASN 52 91.232 -2.809 9.418 392 HD21 ASN 52 HD21 ASN 52 90.287 -2.805 7.149 393 HD22 ASN 52 HD22 ASN 52 89.530 -1.389 6.593 394 H LYS 53 H LYS 53 92.952 -2.511 12.130 395 HA LYS 53 HA LYS 53 90.463 -3.338 13.380 396 HB2 LYS 53 HB2 LYS 53 91.829 -5.174 13.413 397 HB3 LYS 53 HB3 LYS 53 93.296 -4.207 13.394 398 HG2 LYS 53 HG2 LYS 53 93.094 -3.738 15.765 399 HG3 LYS 53 HG3 LYS 53 91.514 -4.521 15.824 400 HD2 LYS 53 HD2 LYS 53 93.871 -6.088 14.821 401 HD3 LYS 53 HD3 LYS 53 93.691 -5.842 16.557 402 HE2 LYS 53 HE2 LYS 53 91.382 -6.765 16.422 403 HE3 LYS 53 HE3 LYS 53 91.629 -7.078 14.704 404 HZ1 LYS 53 HZ1 LYS 53 92.569 -8.545 16.981 405 HZ2 LYS 53 HZ2 LYS 53 93.810 -8.189 15.876 406 HZ3 LYS 53 HZ3 LYS 53 92.427 -9.032 15.362 407 H ASN 54 H ASN 54 92.675 -0.835 13.637 408 HA ASN 54 HA ASN 54 92.757 -0.394 16.434 409 HB2 ASN 54 HB2 ASN 54 93.806 1.588 15.906 410 HB3 ASN 54 HB1 ASN 54 94.097 0.681 14.428 411 HD21 ASN 54 HD21 ASN 54 91.422 0.920 13.319 412 HD22 ASN 54 HD22 ASN 54 91.180 2.550 12.916 413 H LYS 55 H LYS 55 90.326 0.006 14.083 414 HA LYS 55 HA LYS 55 88.181 0.855 14.150 415 HB2 LYS 55 HB2 LYS 55 88.620 0.565 17.131 416 HB3 LYS 55 HB3 LYS 55 87.061 0.828 16.353 417 HG2 LYS 55 HG2 LYS 55 87.067 -1.288 15.327 418 HG3 LYS 55 HG3 LYS 55 88.810 -1.479 15.515 419 HD2 LYS 55 HD2 LYS 55 86.973 -1.283 17.907 420 HD3 LYS 55 HD3 LYS 55 87.296 -2.825 17.117 421 HE2 LYS 55 HE2 LYS 55 89.309 -2.992 18.131 422 HE3 LYS 55 HE3 LYS 55 89.779 -1.384 17.582 423 HZ1 LYS 55 HZ1 LYS 55 88.960 -0.398 19.464 424 HZ2 LYS 55 HZ2 LYS 55 89.520 -1.871 20.099 425 HZ3 LYS 55 HZ3 LYS 55 87.864 -1.649 19.794 426 H GLY 56 H GLY 56 89.574 2.839 13.437 427 HA2 GLY 56 HA2 GLY 56 89.676 5.000 15.371 428 HA3 GLY 56 HA3 GLY 56 90.174 5.080 13.686 429 H ILE 57 H ILE 57 87.798 4.217 12.446 430 HA ILE 57 HA ILE 57 85.722 6.080 13.371 431 HB ILE 57 HB ILE 57 85.521 7.149 11.206 432 HG12 ILE 57 HG12 ILE 57 87.498 6.644 9.559 433 HG13 ILE 57 HG13 ILE 57 87.635 5.129 10.447 434 HG21 ILE 57 HG21 ILE 57 87.225 7.940 12.931 435 HG22 ILE 57 HG22 ILE 57 87.504 8.478 11.276 436 HG23 ILE 57 HG23 ILE 57 88.454 7.150 11.943 437 HD11 ILE 57 HD11 ILE 57 85.726 4.282 9.534 438 HD12 ILE 57 HD12 ILE 57 85.985 5.507 8.298 439 HD13 ILE 57 HD13 ILE 57 84.876 5.822 9.627 440 H THR 58 H THR 58 83.770 5.903 11.779 441 HA THR 58 HA THR 58 83.299 3.022 11.323 442 HB THR 58 HB THR 58 81.305 5.237 11.835 443 HG1 THR 58 HG1 THR 58 82.740 4.478 13.586 444 HG21 THR 58 HG21 THR 58 80.471 3.341 10.435 445 HG22 THR 58 HG22 THR 58 79.675 3.437 12.004 446 HG23 THR 58 HG23 THR 58 80.932 2.234 11.727 447 H TRP 59 H TRP 59 82.514 2.289 9.398 448 HA TRP 59 HA TRP 59 82.965 3.839 7.069 449 HB2 TRP 59 HB2 TRP 59 81.180 1.409 7.199 450 HB3 TRP 59 HB1 TRP 59 82.132 1.996 5.834 451 HD1 TRP 59 HD1 TRP 59 84.869 2.484 7.324 452 HE1 TRP 59 HE1 TRP 59 86.279 0.463 8.081 453 HE3 TRP 59 HE3 TRP 59 81.262 -1.118 7.467 454 HZ2 TRP 59 HZ2 TRP 59 85.910 -2.315 8.704 455 HZ3 TRP 59 HZ3 TRP 59 81.813 -3.435 8.137 456 HH2 TRP 59 HH2 TRP 59 84.133 -4.036 8.756 457 H LYS 60 H LYS 60 81.647 5.088 5.883 458 HA LYS 60 HA LYS 60 78.763 5.023 6.212 459 HB2 LYS 60 HB2 LYS 60 80.395 7.445 7.018 460 HB3 LYS 60 HB3 LYS 60 78.651 7.461 6.765 461 HG2 LYS 60 HG2 LYS 60 78.522 5.563 8.474 462 HG3 LYS 60 HG3 LYS 60 80.202 5.932 8.862 463 HD2 LYS 60 HD2 LYS 60 78.085 8.086 8.869 464 HD3 LYS 60 HD3 LYS 60 78.379 7.080 10.286 465 HE2 LYS 60 HE2 LYS 60 80.783 7.738 10.212 466 HE3 LYS 60 HE3 LYS 60 80.416 8.822 8.870 467 HZ1 LYS 60 HZ1 LYS 60 78.915 8.999 11.401 468 HZ2 LYS 60 HZ2 LYS 60 79.139 10.187 10.207 469 HZ3 LYS 60 HZ3 LYS 60 80.420 9.763 11.239 470 H GLU 61 H GLU 61 78.283 7.558 5.018 471 HA GLU 61 HA GLU 61 78.864 6.897 2.282 472 HB2 GLU 61 HB2 GLU 61 76.740 8.005 3.166 473 HB3 GLU 61 HB3 GLU 61 77.686 9.490 3.281 474 HG2 GLU 61 HG2 GLU 61 78.228 9.344 0.886 475 HG3 GLU 61 HG3 GLU 61 77.312 7.844 0.761 476 H GLU 62 H GLU 62 79.591 9.782 4.272 477 HA GLU 62 HA GLU 62 81.439 10.858 2.391 478 HB2 GLU 62 HB2 GLU 62 81.156 11.429 5.353 479 HB3 GLU 62 HB3 GLU 62 82.028 12.425 4.186 480 HG2 GLU 62 HG2 GLU 62 80.030 12.988 3.018 481 HG3 GLU 62 HG3 GLU 62 79.107 11.734 3.845 482 H THR 63 H THR 63 81.869 9.064 5.434 483 HA THR 63 HA THR 63 84.621 9.104 5.646 484 HB THR 63 HB THR 63 84.414 6.910 6.781 485 HG1 THR 63 HG1 THR 63 82.668 6.328 5.179 486 HG21 THR 63 HG21 THR 63 83.887 8.853 8.085 487 HG22 THR 63 HG22 THR 63 82.651 7.643 8.433 488 HG23 THR 63 HG23 THR 63 82.291 8.985 7.346 489 H LEU 64 H LEU 64 82.579 7.107 3.584 490 HA LEU 64 HA LEU 64 84.698 5.478 2.593 491 HB2 LEU 64 HB2 LEU 64 81.838 5.807 2.089 492 HB3 LEU 64 HB3 LEU 64 82.749 5.459 0.628 493 HG LEU 64 HG LEU 64 83.089 3.839 3.157 494 HD11 LEU 64 HD11 LEU 64 81.657 2.247 1.426 495 HD12 LEU 64 HD12 LEU 64 80.914 3.822 1.168 496 HD13 LEU 64 HD13 LEU 64 80.963 3.130 2.786 497 HD21 LEU 64 HD21 LEU 64 84.908 3.433 1.698 498 HD22 LEU 64 HD22 LEU 64 83.899 3.561 0.258 499 HD23 LEU 64 HD23 LEU 64 83.774 2.144 1.298 500 H MET 65 H MET 65 83.277 8.554 1.624 501 HA MET 65 HA MET 65 84.388 8.713 -0.959 502 HB2 MET 65 HB2 MET 65 83.694 10.918 0.987 503 HB3 MET 65 HB1 MET 65 84.089 11.171 -0.712 504 HG2 MET 65 HG2 MET 65 82.193 9.897 -1.434 505 HG3 MET 65 HG1 MET 65 81.883 9.321 0.201 506 HE1 MET 65 HE1 MET 65 80.325 11.563 -2.307 507 HE2 MET 65 HE2 MET 65 82.014 12.062 -2.270 508 HE3 MET 65 HE3 MET 65 80.756 13.200 -1.796 509 H GLU 66 H GLU 66 85.600 10.212 2.058 510 HA GLU 66 HA GLU 66 88.030 11.112 0.949 511 HB2 GLU 66 HB2 GLU 66 87.492 10.297 3.817 512 HB3 GLU 66 HB3 GLU 66 88.789 11.351 3.254 513 HG2 GLU 66 HG2 GLU 66 87.002 12.876 2.307 514 HG3 GLU 66 HG3 GLU 66 85.812 11.890 3.155 515 H TYR 67 H TYR 67 86.982 8.045 2.204 516 HA TYR 67 HA TYR 67 89.614 6.868 2.329 517 HB2 TYR 67 HB2 TYR 67 88.020 5.969 3.835 518 HB3 TYR 67 HB3 TYR 67 86.808 5.811 2.573 519 HD1 TYR 67 HD2 TYR 67 87.005 4.048 0.839 520 HD2 TYR 67 HD1 TYR 67 89.745 4.305 4.137 521 HE1 TYR 67 HE2 TYR 67 87.756 1.727 0.396 522 HE2 TYR 67 HE1 TYR 67 90.494 1.983 3.695 523 HH TYR 67 HH TYR 67 89.502 0.245 0.830 524 H LEU 68 H LEU 68 87.084 7.218 -0.031 525 HA LEU 68 HA LEU 68 88.055 5.141 -1.781 526 HB2 LEU 68 HB2 LEU 68 85.831 7.100 -1.774 527 HB3 LEU 68 HB3 LEU 68 86.422 6.633 -3.361 528 HG LEU 68 HG LEU 68 85.620 4.662 -1.203 529 HD11 LEU 68 HD11 LEU 68 83.688 4.298 -2.935 530 HD12 LEU 68 HD12 LEU 68 84.085 5.936 -3.457 531 HD13 LEU 68 HD13 LEU 68 83.586 5.635 -1.794 532 HD21 LEU 68 HD21 LEU 68 85.426 3.326 -3.535 533 HD22 LEU 68 HD22 LEU 68 86.913 3.373 -2.592 534 HD23 LEU 68 HD23 LEU 68 86.709 4.450 -3.968 535 H GLU 69 H GLU 69 88.773 8.477 -1.252 536 HA GLU 69 HA GLU 69 89.970 8.829 -3.893 537 HB2 GLU 69 HB2 GLU 69 90.043 11.078 -3.420 538 HB3 GLU 69 HB3 GLU 69 88.742 10.607 -2.329 539 HG2 GLU 69 HG2 GLU 69 90.604 10.227 -0.579 540 HG3 GLU 69 HG3 GLU 69 91.635 11.151 -1.669 541 H ASN 70 H ASN 70 90.868 7.619 -0.868 542 HA ASN 70 HA ASN 70 93.523 7.047 -1.673 543 HB2 ASN 70 HB2 ASN 70 93.474 9.616 -1.034 544 HB3 ASN 70 HB1 ASN 70 93.553 8.989 0.608 545 HD21 ASN 70 HD21 ASN 70 95.256 6.808 0.381 546 HD22 ASN 70 HD22 ASN 70 96.773 7.302 -0.200 547 HA PRO 71 HA PRO 71 91.234 4.520 1.619 548 HB2 PRO 71 HB2 PRO 71 92.875 2.566 0.043 549 HB3 PRO 71 HB1 PRO 71 91.240 2.386 0.704 550 HG2 PRO 71 HG2 PRO 71 91.648 2.878 -1.883 551 HG3 PRO 71 HG1 PRO 71 90.269 3.567 -1.012 552 HD2 PRO 71 HD2 PRO 71 92.725 4.916 -1.999 553 HD3 PRO 71 HD1 PRO 71 91.115 5.598 -1.676 554 H LYS 72 H LYS 72 94.592 4.778 0.586 555 HA LYS 72 HA LYS 72 95.638 3.416 2.910 556 HB2 LYS 72 HB2 LYS 72 96.784 3.362 0.719 557 HB3 LYS 72 HB3 LYS 72 97.066 5.097 0.842 558 HG2 LYS 72 HG2 LYS 72 99.071 4.270 1.691 559 HG3 LYS 72 HG3 LYS 72 98.141 4.460 3.174 560 HD2 LYS 72 HD2 LYS 72 99.008 2.281 3.367 561 HD3 LYS 72 HD3 LYS 72 97.380 2.005 2.751 562 HE2 LYS 72 HE2 LYS 72 98.494 0.728 1.209 563 HE3 LYS 72 HE3 LYS 72 98.718 2.281 0.405 564 HZ1 LYS 72 HZ1 LYS 72 100.632 1.351 2.447 565 HZ2 LYS 72 HZ2 LYS 72 100.867 2.477 1.196 566 HZ3 LYS 72 HZ3 LYS 72 100.760 0.819 0.842 567 H LYS 73 H LYS 73 95.598 6.793 1.763 568 HA LYS 73 HA LYS 73 96.992 7.858 3.952 569 HB2 LYS 73 HB2 LYS 73 96.420 8.958 1.692 570 HB3 LYS 73 HB3 LYS 73 94.889 9.396 2.447 571 HG2 LYS 73 HG2 LYS 73 96.008 10.642 4.178 572 HG3 LYS 73 HG3 LYS 73 97.584 10.034 3.674 573 HD2 LYS 73 HD2 LYS 73 97.398 12.251 2.780 574 HD3 LYS 73 HD3 LYS 73 97.173 11.145 1.426 575 HE2 LYS 73 HE2 LYS 73 94.822 11.480 1.402 576 HE3 LYS 73 HE3 LYS 73 94.830 12.221 3.002 577 HZ1 LYS 73 HZ1 LYS 73 96.525 13.558 1.107 578 HZ2 LYS 73 HZ2 LYS 73 95.356 14.199 2.159 579 HZ3 LYS 73 HZ3 LYS 73 94.891 13.562 0.655 580 H TYR 74 H TYR 74 93.587 7.089 3.526 581 HA TYR 74 HA TYR 74 92.632 8.570 5.758 582 HB2 TYR 74 HB2 TYR 74 91.402 7.288 3.734 583 HB3 TYR 74 HB3 TYR 74 91.221 6.064 4.989 584 HD1 TYR 74 HD1 TYR 74 90.960 9.797 4.639 585 HD2 TYR 74 HD2 TYR 74 89.311 6.208 6.327 586 HE1 TYR 74 HE1 TYR 74 89.123 11.118 5.653 587 HE2 TYR 74 HE2 TYR 74 87.475 7.530 7.341 588 HH TYR 74 HH TYR 74 87.423 11.067 7.132 589 H ILE 75 H ILE 75 93.233 5.069 5.388 590 HA ILE 75 HA ILE 75 93.840 4.955 8.284 591 HB ILE 75 HB ILE 75 92.396 2.809 6.709 592 HG12 ILE 75 HG12 ILE 75 91.209 4.617 8.826 593 HG13 ILE 75 HG13 ILE 75 91.126 5.014 7.110 594 HG21 ILE 75 HG21 ILE 75 93.122 3.181 9.625 595 HG22 ILE 75 HG22 ILE 75 93.587 1.857 8.560 596 HG23 ILE 75 HG23 ILE 75 91.913 2.019 9.085 597 HD11 ILE 75 HD11 ILE 75 90.112 2.435 8.339 598 HD12 ILE 75 HD12 ILE 75 89.974 2.904 6.645 599 HD13 ILE 75 HD13 ILE 75 89.097 3.803 7.882 600 HA PRO 76 HA PRO 76 97.441 3.657 5.493 601 HB2 PRO 76 HB2 PRO 76 98.624 4.432 8.143 602 HB3 PRO 76 HB1 PRO 76 99.258 4.704 6.507 603 HG2 PRO 76 HG2 PRO 76 98.060 6.654 7.876 604 HG3 PRO 76 HG1 PRO 76 97.876 6.498 6.121 605 HD2 PRO 76 HD2 PRO 76 95.888 5.970 8.261 606 HD3 PRO 76 HD1 PRO 76 95.624 6.357 6.547 607 H GLY 77 H GLY 77 98.598 1.723 5.606 608 HA2 GLY 77 HA2 GLY 77 99.451 -0.214 6.694 609 HA3 GLY 77 HA3 GLY 77 98.330 0.066 8.024 610 H THR 78 H THR 78 96.072 0.573 6.197 611 HA THR 78 HA THR 78 94.934 -1.969 6.092 612 HB THR 78 HB THR 78 93.620 0.105 5.974 613 HG1 THR 78 HG1 THR 78 93.413 -1.976 4.187 614 HG21 THR 78 HG21 THR 78 95.302 1.238 4.449 615 HG22 THR 78 HG22 THR 78 93.608 1.477 4.016 616 HG23 THR 78 HG23 THR 78 94.593 0.318 3.123 617 H LYS 79 H LYS 79 94.849 -3.581 4.581 618 HA LYS 79 HA LYS 79 96.871 -3.503 2.494 619 HB2 LYS 79 HB2 LYS 79 95.125 -5.595 3.714 620 HB3 LYS 79 HB3 LYS 79 95.735 -5.881 2.085 621 HG2 LYS 79 HG2 LYS 79 98.052 -5.227 3.060 622 HG3 LYS 79 HG3 LYS 79 97.299 -5.487 4.635 623 HD2 LYS 79 HD2 LYS 79 96.577 -7.762 3.800 624 HD3 LYS 79 HD3 LYS 79 97.594 -7.486 2.386 625 HE2 LYS 79 HE2 LYS 79 99.551 -7.157 3.879 626 HE3 LYS 79 HE3 LYS 79 98.526 -7.505 5.272 627 HZ1 LYS 79 HZ1 LYS 79 97.983 -9.629 3.862 628 HZ2 LYS 79 HZ2 LYS 79 99.359 -9.566 4.857 629 HZ3 LYS 79 HZ3 LYS 79 99.505 -9.309 3.184 630 H MET 80 H MET 80 96.119 -2.002 0.994 631 HA MET 80 HA MET 80 94.448 -3.016 -1.052 632 HB2 MET 80 HB2 MET 80 92.544 -2.535 0.277 633 HB3 MET 80 HB1 MET 80 93.212 -0.999 0.824 634 HG2 MET 80 HG2 MET 80 92.731 0.082 -1.176 635 HG3 MET 80 HG1 MET 80 92.797 -1.406 -2.120 636 HE1 MET 80 HE1 MET 80 90.206 1.225 -1.018 637 HE2 MET 80 HE2 MET 80 89.268 0.413 -2.266 638 HE3 MET 80 HE3 MET 80 90.977 0.741 -2.534 639 H ILE 81 H ILE 81 96.093 -2.394 -2.406 640 HA ILE 81 HA ILE 81 96.430 0.521 -2.794 641 HB ILE 81 HB ILE 81 98.551 -1.635 -3.006 642 HG12 ILE 81 HG12 ILE 81 99.653 -0.015 -1.317 643 HG13 ILE 81 HG13 ILE 81 98.046 0.681 -1.125 644 HG21 ILE 81 HG21 ILE 81 100.022 0.393 -3.499 645 HG22 ILE 81 HG22 ILE 81 98.530 1.287 -3.790 646 HG23 ILE 81 HG23 ILE 81 98.936 -0.102 -4.797 647 HD11 ILE 81 HD11 ILE 81 97.905 -2.214 -0.963 648 HD12 ILE 81 HD12 ILE 81 97.414 -1.007 0.221 649 HD13 ILE 81 HD13 ILE 81 99.078 -1.584 0.194 650 H PHE 82 H PHE 82 95.168 0.828 -4.563 651 HA PHE 82 HA PHE 82 95.920 -0.650 -7.000 652 HB2 PHE 82 HB2 PHE 82 93.896 -1.736 -6.231 653 HB3 PHE 82 HB1 PHE 82 93.094 -0.180 -6.021 654 HD1 PHE 82 HD2 PHE 82 94.625 -2.439 -8.562 655 HD2 PHE 82 HD1 PHE 82 92.037 0.914 -7.848 656 HE1 PHE 82 HE2 PHE 82 93.903 -2.492 -10.934 657 HE2 PHE 82 HE1 PHE 82 91.315 0.861 -10.219 658 HZ PHE 82 HZ PHE 82 92.247 -0.843 -11.762 659 H ALA 83 H ALA 83 93.366 1.728 -6.325 660 HA ALA 83 HA ALA 83 94.819 3.948 -7.390 661 HB1 ALA 83 HB1 ALA 83 94.424 2.700 -9.489 662 HB2 ALA 83 HB2 ALA 83 93.560 4.237 -9.466 663 HB3 ALA 83 HB3 ALA 83 92.690 2.733 -9.168 664 H GLY 84 H GLY 84 94.026 5.560 -6.214 665 HA2 GLY 84 HA2 GLY 84 91.434 5.437 -4.981 666 HA3 GLY 84 HA3 GLY 84 92.564 6.786 -4.902 667 H ILE 85 H ILE 85 89.752 7.037 -5.258 668 HA ILE 85 HA ILE 85 89.107 7.486 -8.009 669 HB ILE 85 HB ILE 85 87.806 8.470 -5.464 670 HG12 ILE 85 HG12 ILE 85 87.992 5.911 -6.145 671 HG13 ILE 85 HG13 ILE 85 86.474 6.560 -5.535 672 HG21 ILE 85 HG21 ILE 85 87.032 9.931 -7.150 673 HG22 ILE 85 HG22 ILE 85 85.803 8.668 -7.090 674 HG23 ILE 85 HG23 ILE 85 87.015 8.655 -8.368 675 HD11 ILE 85 HD11 ILE 85 85.497 6.644 -7.671 676 HD12 ILE 85 HD12 ILE 85 86.400 5.130 -7.696 677 HD13 ILE 85 HD13 ILE 85 87.057 6.561 -8.490 678 H LYS 86 H LYS 86 88.466 9.674 -8.840 679 HA LYS 86 HA LYS 86 90.428 11.701 -7.952 680 HB2 LYS 86 HB2 LYS 86 89.186 11.819 -10.665 681 HB3 LYS 86 HB3 LYS 86 90.796 12.308 -10.144 682 HG2 LYS 86 HG2 LYS 86 89.881 9.419 -10.317 683 HG3 LYS 86 HG3 LYS 86 90.769 10.246 -11.592 684 HD2 LYS 86 HD2 LYS 86 91.888 10.279 -8.804 685 HD3 LYS 86 HD3 LYS 86 92.066 8.822 -9.776 686 HE2 LYS 86 HE2 LYS 86 92.781 11.491 -10.963 687 HE3 LYS 86 HE3 LYS 86 93.920 10.674 -9.893 688 HZ1 LYS 86 HZ1 LYS 86 93.982 10.208 -12.419 689 HZ2 LYS 86 HZ2 LYS 86 92.661 9.188 -12.098 690 HZ3 LYS 86 HZ3 LYS 86 94.153 8.917 -11.332 691 H LYS 87 H LYS 87 87.288 11.628 -9.700 692 HA LYS 87 HA LYS 87 86.661 14.276 -8.692 693 HB2 LYS 87 HB2 LYS 87 84.996 12.370 -10.346 694 HB3 LYS 87 HB3 LYS 87 84.630 14.067 -10.043 695 HG2 LYS 87 HG2 LYS 87 86.830 14.668 -11.090 696 HG3 LYS 87 HG3 LYS 87 87.036 12.970 -11.522 697 HD2 LYS 87 HD2 LYS 87 84.802 13.108 -12.713 698 HD3 LYS 87 HD3 LYS 87 84.858 14.852 -12.458 699 HE2 LYS 87 HE2 LYS 87 87.061 14.913 -13.634 700 HE3 LYS 87 HE3 LYS 87 86.891 13.191 -13.974 701 HZ1 LYS 87 HZ1 LYS 87 85.258 15.435 -14.980 702 HZ2 LYS 87 HZ2 LYS 87 84.660 13.845 -14.983 703 HZ3 LYS 87 HZ3 LYS 87 86.061 14.230 -15.862 704 H LYS 88 H LYS 88 84.670 14.780 -7.583 705 HA LYS 88 HA LYS 88 84.253 13.112 -5.299 706 HB2 LYS 88 HB2 LYS 88 84.062 15.489 -5.025 707 HB3 LYS 88 HB3 LYS 88 82.848 15.596 -6.299 708 HG2 LYS 88 HG2 LYS 88 82.126 13.708 -4.145 709 HG3 LYS 88 HG3 LYS 88 82.293 15.372 -3.593 710 HD2 LYS 88 HD2 LYS 88 80.772 16.099 -5.438 711 HD3 LYS 88 HD3 LYS 88 80.538 14.404 -5.870 712 HE2 LYS 88 HE2 LYS 88 78.725 15.290 -4.391 713 HE3 LYS 88 HE3 LYS 88 79.591 13.929 -3.677 714 HZ1 LYS 88 HZ1 LYS 88 80.557 16.644 -3.139 715 HZ2 LYS 88 HZ2 LYS 88 80.629 15.255 -2.162 716 HZ3 LYS 88 HZ3 LYS 88 79.169 16.109 -2.325 717 H THR 89 H THR 89 82.396 13.798 -8.245 718 HA THR 89 HA THR 89 80.065 12.376 -7.483 719 HB THR 89 HB THR 89 79.588 12.303 -9.926 720 HG1 THR 89 HG1 THR 89 81.314 12.330 -11.111 721 HG21 THR 89 HG21 THR 89 80.574 14.956 -8.839 722 HG22 THR 89 HG22 THR 89 78.969 14.267 -8.589 723 HG23 THR 89 HG23 THR 89 79.475 14.762 -10.205 724 H GLU 90 H GLU 90 83.166 11.382 -8.687 725 HA GLU 90 HA GLU 90 82.403 8.811 -9.650 726 HB2 GLU 90 HB2 GLU 90 85.015 10.020 -8.755 727 HB3 GLU 90 HB3 GLU 90 84.899 8.314 -9.189 728 HG2 GLU 90 HG2 GLU 90 84.283 8.805 -11.417 729 HG3 GLU 90 HG3 GLU 90 83.869 10.474 -11.025 730 H ARG 91 H ARG 91 83.418 10.093 -6.532 731 HA ARG 91 HA ARG 91 83.446 7.532 -5.211 732 HB2 ARG 91 HB2 ARG 91 83.292 10.297 -3.976 733 HB3 ARG 91 HB3 ARG 91 83.807 8.809 -3.186 734 HG2 ARG 91 HG2 ARG 91 85.691 8.640 -4.798 735 HG3 ARG 91 HG3 ARG 91 85.208 10.191 -5.486 736 HD2 ARG 91 HD2 ARG 91 85.335 10.652 -2.720 737 HD3 ARG 91 HD3 ARG 91 86.744 9.656 -3.072 738 HE ARG 91 HE ARG 91 86.772 11.568 -5.036 739 HH11 ARG 91 HH21 ARG 91 86.626 11.554 -1.578 740 HH12 ARG 91 HH22 ARG 91 87.452 13.065 -1.399 741 HH21 ARG 91 HH11 ARG 91 87.857 13.550 -4.809 742 HH22 ARG 91 HH12 ARG 91 88.151 14.195 -3.228 743 H GLU 92 H GLU 92 81.292 10.375 -5.203 744 HA GLU 92 HA GLU 92 79.341 9.393 -3.463 745 HB2 GLU 92 HB2 GLU 92 79.556 11.739 -4.508 746 HB3 GLU 92 HB3 GLU 92 78.677 11.068 -5.882 747 HG2 GLU 92 HG2 GLU 92 76.902 10.299 -4.258 748 HG3 GLU 92 HG3 GLU 92 77.739 11.215 -3.007 749 H ASP 93 H ASP 93 79.407 9.245 -7.036 750 HA ASP 93 HA ASP 93 77.095 7.675 -7.343 751 HB2 ASP 93 HB2 ASP 93 79.566 7.751 -9.094 752 HB3 ASP 93 HB1 ASP 93 77.984 7.138 -9.569 753 H LEU 94 H LEU 94 80.524 6.712 -7.216 754 HA LEU 94 HA LEU 94 80.188 3.952 -7.430 755 HB2 LEU 94 HB2 LEU 94 82.395 4.990 -7.535 756 HB3 LEU 94 HB3 LEU 94 82.247 5.505 -5.857 757 HG LEU 94 HG LEU 94 82.205 3.204 -5.091 758 HD11 LEU 94 HD11 LEU 94 82.746 1.454 -6.967 759 HD12 LEU 94 HD12 LEU 94 82.032 2.657 -8.041 760 HD13 LEU 94 HD13 LEU 94 81.079 1.972 -6.724 761 HD21 LEU 94 HD21 LEU 94 84.425 3.412 -7.133 762 HD22 LEU 94 HD22 LEU 94 84.470 2.632 -5.554 763 HD23 LEU 94 HD23 LEU 94 84.403 4.389 -5.665 764 H ILE 95 H ILE 95 79.912 6.088 -4.660 765 HA ILE 95 HA ILE 95 79.675 3.951 -2.773 766 HB ILE 95 HB ILE 95 79.382 6.928 -2.635 767 HG12 ILE 95 HG12 ILE 95 81.032 5.330 -0.746 768 HG13 ILE 95 HG13 ILE 95 81.525 5.252 -2.431 769 HG21 ILE 95 HG21 ILE 95 79.091 6.369 -0.062 770 HG22 ILE 95 HG22 ILE 95 78.379 4.879 -0.681 771 HG23 ILE 95 HG23 ILE 95 77.679 6.437 -1.117 772 HD11 ILE 95 HD11 ILE 95 82.312 7.209 -0.707 773 HD12 ILE 95 HD12 ILE 95 80.909 7.973 -1.447 774 HD13 ILE 95 HD13 ILE 95 82.240 7.405 -2.454 775 H ALA 96 H ALA 96 77.479 5.897 -4.674 776 HA ALA 96 HA ALA 96 75.084 5.328 -3.308 777 HB1 ALA 96 HB1 ALA 96 75.484 5.680 -6.292 778 HB2 ALA 96 HB2 ALA 96 75.284 6.999 -5.139 779 HB3 ALA 96 HB3 ALA 96 73.965 5.861 -5.413 780 H TYR 97 H TYR 97 76.963 3.557 -5.695 781 HA TYR 97 HA TYR 97 75.055 1.439 -6.019 782 HB2 TYR 97 HB2 TYR 97 76.594 1.795 -7.821 783 HB3 TYR 97 HB3 TYR 97 77.981 1.697 -6.736 784 HD1 TYR 97 HD1 TYR 97 75.126 -0.281 -8.109 785 HD2 TYR 97 HD2 TYR 97 78.982 -0.387 -6.220 786 HE1 TYR 97 HE1 TYR 97 75.223 -2.734 -8.445 787 HE2 TYR 97 HE2 TYR 97 79.077 -2.842 -6.557 788 HH TYR 97 HH TYR 97 77.066 -4.491 -8.642 789 H LEU 98 H LEU 98 78.242 1.643 -4.396 790 HA LEU 98 HA LEU 98 78.376 -0.826 -3.230 791 HB2 LEU 98 HB2 LEU 98 79.243 1.888 -2.294 792 HB3 LEU 98 HB3 LEU 98 79.457 0.500 -1.235 793 HG LEU 98 HG LEU 98 80.377 0.298 -4.091 794 HD11 LEU 98 HD11 LEU 98 81.289 2.451 -3.090 795 HD12 LEU 98 HD12 LEU 98 82.498 1.281 -3.604 796 HD13 LEU 98 HD13 LEU 98 82.107 1.446 -1.894 797 HD21 LEU 98 HD21 LEU 98 81.495 -0.763 -1.482 798 HD22 LEU 98 HD22 LEU 98 81.970 -1.255 -3.107 799 HD23 LEU 98 HD23 LEU 98 80.362 -1.648 -2.501 800 H LYS 99 H LYS 99 76.175 1.755 -2.481 801 HA LYS 99 HA LYS 99 75.388 0.733 0.099 802 HB2 LYS 99 HB2 LYS 99 74.317 2.869 -1.734 803 HB3 LYS 99 HB3 LYS 99 73.440 2.380 -0.284 804 HG2 LYS 99 HG2 LYS 99 75.357 2.929 1.116 805 HG3 LYS 99 HG3 LYS 99 76.326 3.301 -0.309 806 HD2 LYS 99 HD2 LYS 99 75.517 5.390 0.621 807 HD3 LYS 99 HD3 LYS 99 74.673 5.094 -0.898 808 HE2 LYS 99 HE2 LYS 99 72.670 4.514 0.179 809 HE3 LYS 99 HE3 LYS 99 73.483 4.147 1.701 810 HZ1 LYS 99 HZ1 LYS 99 73.738 6.873 0.714 811 HZ2 LYS 99 HZ2 LYS 99 73.538 6.304 2.302 812 HZ3 LYS 99 HZ3 LYS 99 72.198 6.416 1.263 813 H LYS 100 H LYS 100 73.785 0.907 -3.088 814 HA LYS 100 HA LYS 100 71.613 -0.775 -2.250 815 HB2 LYS 100 HB2 LYS 100 71.446 0.961 -4.050 816 HB3 LYS 100 HB3 LYS 100 72.448 -0.071 -5.070 817 HG2 LYS 100 HG2 LYS 100 70.813 -1.794 -5.125 818 HG3 LYS 100 HG3 LYS 100 69.912 -1.093 -3.782 819 HD2 LYS 100 HD2 LYS 100 70.289 0.543 -6.270 820 HD3 LYS 100 HD3 LYS 100 69.087 -0.746 -6.278 821 HE2 LYS 100 HE2 LYS 100 69.176 1.281 -4.044 822 HE3 LYS 100 HE3 LYS 100 68.310 1.613 -5.544 823 HZ1 LYS 100 HZ1 LYS 100 66.643 0.365 -4.842 824 HZ2 LYS 100 HZ2 LYS 100 67.448 0.108 -3.368 825 HZ3 LYS 100 HZ3 LYS 100 67.667 -0.975 -4.658 826 H ALA 101 H ALA 101 74.785 -1.357 -3.360 827 HA ALA 101 HA ALA 101 74.221 -3.999 -4.438 828 HB1 ALA 101 HB1 ALA 101 76.053 -2.358 -5.250 829 HB2 ALA 101 HB2 ALA 101 76.477 -4.062 -5.086 830 HB3 ALA 101 HB3 ALA 101 76.963 -2.909 -3.843 831 H THR 102 H THR 102 75.397 -2.510 -1.502 832 HA THR 102 HA THR 102 76.183 -5.069 -0.337 833 HB THR 102 HB THR 102 76.721 -3.663 1.659 834 HG1 THR 102 HG1 THR 102 75.244 -1.909 0.220 835 HG21 THR 102 HG21 THR 102 78.464 -2.225 0.357 836 HG22 THR 102 HG22 THR 102 77.829 -3.047 -1.071 837 HG23 THR 102 HG23 THR 102 78.555 -3.982 0.235 838 H ASN 103 H ASN 103 73.374 -3.434 -0.860 839 HA ASN 103 HA ASN 103 72.072 -4.197 1.654 840 HB2 ASN 103 HB2 ASN 103 71.294 -2.513 -0.715 841 HB3 ASN 103 HB1 ASN 103 70.083 -3.080 0.425 842 HD21 ASN 103 HD21 ASN 103 73.366 -2.329 1.481 843 HD22 ASN 103 HD22 ASN 103 72.948 -0.938 2.356 844 H GLU 104 H GLU 104 72.381 -5.165 -1.666 845 HA GLU 104 HA GLU 104 70.045 -6.697 -1.980 846 HB2 GLU 104 HB2 GLU 104 72.799 -6.874 -3.192 847 HB3 GLU 104 HB3 GLU 104 71.535 -8.029 -3.612 848 HG2 GLU 104 HG2 GLU 104 70.140 -6.347 -4.522 849 HG3 GLU 104 HG3 GLU 104 71.049 -5.053 -3.743 850 HHA HEC 201 HA HEC 105 89.564 -3.600 3.087 851 HHB HEC 201 HB HEC 105 85.691 -0.088 -0.466 852 HHC HEC 201 HC HEC 105 88.901 -1.815 -5.637 853 HHD HEC 201 HD HEC 105 92.327 -5.827 -2.151 854 HMA1 HEC 201 HMA1 HEC 105 85.939 0.781 2.217 855 HMA2 HEC 201 HMA2 HEC 105 85.385 -0.521 3.268 856 HMA3 HEC 201 HMA3 HEC 105 84.771 -0.399 1.621 857 HAA1 HEC 201 HAA1 HEC 105 87.354 -0.923 4.411 858 HAA2 HEC 201 HAA2 HEC 105 88.630 -2.119 4.349 859 HBA1 HEC 201 HBA1 HEC 105 87.216 -3.844 4.813 860 HBA2 HEC 201 HBA2 HEC 105 85.892 -3.156 3.883 861 HMB1 HEC 201 HMB1 HEC 105 84.911 1.105 -3.966 862 HMB2 HEC 201 HMB2 HEC 105 85.236 1.429 -2.267 863 HMB3 HEC 201 HMB3 HEC 105 84.236 0.053 -2.729 864 HAB HEC 201 HAB HEC 105 87.421 -0.576 -6.257 865 HBB1 HEC 201 HBB1 HEC 105 86.747 1.953 -4.797 866 HBB2 HEC 201 HBB2 HEC 105 88.038 1.643 -5.950 867 HBB3 HEC 201 HBB3 HEC 105 86.381 1.840 -6.516 868 HMC1 HEC 201 HMC1 HEC 105 91.349 -2.569 -6.773 869 HMC2 HEC 201 HMC2 HEC 105 89.834 -3.432 -7.014 870 HMC3 HEC 201 HMC3 HEC 105 91.360 -4.311 -7.043 871 HAC HEC 201 HAC HEC 105 92.745 -6.234 -4.094 872 HBC1 HEC 201 HBC1 HEC 105 93.414 -5.388 -6.769 873 HBC2 HEC 201 HBC2 HEC 105 94.451 -5.442 -5.344 874 HBC3 HEC 201 HBC3 HEC 105 93.498 -3.999 -5.687 875 HMD1 HEC 201 HMD1 HEC 105 93.523 -6.539 1.322 876 HMD2 HEC 201 HMD2 HEC 105 93.567 -6.374 -0.430 877 HMD3 HEC 201 HMD3 HEC 105 92.497 -7.562 0.315 878 HAD1 HEC 201 HAD1 HEC 105 92.191 -6.327 3.025 879 HAD2 HEC 201 HAD2 HEC 105 90.636 -5.695 3.525 880 HBD1 HEC 201 HBD1 HEC 105 91.773 -3.393 3.601 881 HBD2 HEC 201 HBD2 HEC 105 93.292 -4.275 3.494 882 H1 HOH 301 H2 HOH 200 80.674 2.180 -0.490 883 H2 HOH 301 H1 HOH 200 81.691 3.237 -0.861 884 H1 HOH 302 H2 HOH 201 85.724 5.227 6.243 885 H2 HOH 302 H1 HOH 201 87.129 5.398 5.707 886 H1 HOH 303 H2 HOH 202 83.792 -5.420 4.837 887 H2 HOH 303 H1 HOH 202 84.274 -6.423 5.865 888 H1 HOH 304 H2 HOH 203 81.707 -10.931 -0.085 889 H2 HOH 304 H1 HOH 203 82.557 -9.684 -0.205 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 74.677 11.881 -8.430 2 H2 GLY 1 H2 GLY 1 76.042 10.882 -8.594 3 H3 GLY 1 H3 GLY 1 75.818 11.793 -7.178 4 HA2 GLY 1 HA2 GLY 1 75.270 9.467 -6.803 5 HA3 GLY 1 HA3 GLY 1 73.859 10.508 -6.614 6 H ASP 2 H ASP 2 75.540 8.372 -8.882 7 HA ASP 2 HA ASP 2 72.934 7.763 -10.148 8 HB2 ASP 2 HB2 ASP 2 75.594 8.168 -11.530 9 HB3 ASP 2 HB1 ASP 2 74.155 7.507 -12.304 10 H VAL 3 H VAL 3 72.744 5.889 -8.889 11 HA VAL 3 HA VAL 3 74.594 3.946 -8.343 12 HB VAL 3 HB VAL 3 72.362 3.758 -7.471 13 HG11 VAL 3 HG11 VAL 3 70.920 4.694 -9.051 14 HG12 VAL 3 HG12 VAL 3 70.554 2.977 -9.219 15 HG13 VAL 3 HG13 VAL 3 71.614 3.772 -10.384 16 HG21 VAL 3 HG21 VAL 3 73.700 1.648 -8.033 17 HG22 VAL 3 HG22 VAL 3 72.649 1.475 -9.437 18 HG23 VAL 3 HG23 VAL 3 71.966 1.427 -7.812 19 H GLU 4 H GLU 4 73.398 4.885 -11.421 20 HA GLU 4 HA GLU 4 73.885 2.423 -12.801 21 HB2 GLU 4 HB2 GLU 4 73.592 5.270 -13.774 22 HB3 GLU 4 HB3 GLU 4 73.766 3.882 -14.849 23 HG2 GLU 4 HG2 GLU 4 71.721 2.918 -14.104 24 HG3 GLU 4 HG3 GLU 4 71.629 4.000 -12.715 25 H LYS 5 H LYS 5 75.642 5.535 -12.839 26 HA LYS 5 HA LYS 5 77.927 4.404 -14.139 27 HB2 LYS 5 HB2 LYS 5 77.237 7.037 -12.895 28 HB3 LYS 5 HB3 LYS 5 78.943 6.661 -13.112 29 HG2 LYS 5 HG2 LYS 5 78.314 7.774 -15.111 30 HG3 LYS 5 HG3 LYS 5 78.340 6.068 -15.541 31 HD2 LYS 5 HD2 LYS 5 76.294 6.770 -16.441 32 HD3 LYS 5 HD3 LYS 5 75.806 6.117 -14.880 33 HE2 LYS 5 HE2 LYS 5 75.657 8.310 -13.911 34 HE3 LYS 5 HE3 LYS 5 76.448 9.046 -15.305 35 HZ1 LYS 5 HZ1 LYS 5 73.734 8.641 -14.923 36 HZ2 LYS 5 HZ2 LYS 5 74.202 7.562 -16.149 37 HZ3 LYS 5 HZ3 LYS 5 74.505 9.226 -16.317 38 H GLY 6 H GLY 6 76.816 4.586 -10.890 39 HA2 GLY 6 HA2 GLY 6 79.336 4.339 -9.568 40 HA3 GLY 6 HA3 GLY 6 77.760 3.938 -8.881 41 H LYS 7 H LYS 7 76.981 2.117 -10.923 42 HA LYS 7 HA LYS 7 78.153 -0.284 -9.937 43 HB2 LYS 7 HB2 LYS 7 75.800 -0.048 -10.808 44 HB3 LYS 7 HB3 LYS 7 76.477 0.061 -12.432 45 HG2 LYS 7 HG2 LYS 7 77.663 -2.152 -11.932 46 HG3 LYS 7 HG3 LYS 7 76.628 -2.270 -10.511 47 HD2 LYS 7 HD2 LYS 7 75.340 -3.418 -12.069 48 HD3 LYS 7 HD3 LYS 7 74.698 -1.787 -12.260 49 HE2 LYS 7 HE2 LYS 7 76.185 -1.399 -14.173 50 HE3 LYS 7 HE3 LYS 7 76.899 -2.997 -13.963 51 HZ1 LYS 7 HZ1 LYS 7 75.161 -2.924 -15.685 52 HZ2 LYS 7 HZ2 LYS 7 74.022 -2.496 -14.499 53 HZ3 LYS 7 HZ3 LYS 7 74.796 -4.008 -14.431 54 H LYS 8 H LYS 8 78.478 1.584 -12.946 55 HA LYS 8 HA LYS 8 80.121 -0.223 -14.342 56 HB2 LYS 8 HB2 LYS 8 79.087 1.671 -15.454 57 HB3 LYS 8 HB3 LYS 8 80.008 2.799 -14.460 58 HG2 LYS 8 HG2 LYS 8 81.654 0.792 -15.891 59 HG3 LYS 8 HG3 LYS 8 80.803 1.924 -16.940 60 HD2 LYS 8 HD2 LYS 8 82.318 2.953 -14.548 61 HD3 LYS 8 HD3 LYS 8 83.178 2.563 -16.036 62 HE2 LYS 8 HE2 LYS 8 81.976 4.175 -17.290 63 HE3 LYS 8 HE3 LYS 8 80.729 4.331 -16.052 64 HZ1 LYS 8 HZ1 LYS 8 83.414 4.911 -15.154 65 HZ2 LYS 8 HZ2 LYS 8 81.965 5.749 -14.866 66 HZ3 LYS 8 HZ3 LYS 8 82.815 5.991 -16.317 67 H ILE 9 H ILE 9 80.970 2.484 -12.199 68 HA ILE 9 HA ILE 9 83.780 2.163 -12.434 69 HB ILE 9 HB ILE 9 82.158 3.424 -10.215 70 HG12 ILE 9 HG12 ILE 9 83.548 4.815 -12.510 71 HG13 ILE 9 HG13 ILE 9 81.878 4.268 -12.645 72 HG21 ILE 9 HG21 ILE 9 84.280 4.709 -9.851 73 HG22 ILE 9 HG22 ILE 9 85.075 3.643 -11.008 74 HG23 ILE 9 HG23 ILE 9 84.438 2.989 -9.500 75 HD11 ILE 9 HD11 ILE 9 81.268 5.600 -10.668 76 HD12 ILE 9 HD12 ILE 9 81.996 6.626 -11.905 77 HD13 ILE 9 HD13 ILE 9 82.941 6.131 -10.500 78 H PHE 10 H PHE 10 81.363 0.532 -10.590 79 HA PHE 10 HA PHE 10 83.187 -0.479 -8.585 80 HB2 PHE 10 HB2 PHE 10 81.042 -0.325 -7.723 81 HB3 PHE 10 HB1 PHE 10 80.287 -0.849 -9.226 82 HD1 PHE 10 HD1 PHE 10 80.236 -3.233 -9.853 83 HD2 PHE 10 HD2 PHE 10 81.896 -1.931 -6.116 84 HE1 PHE 10 HE1 PHE 10 80.193 -5.567 -9.026 85 HE2 PHE 10 HE2 PHE 10 81.857 -4.268 -5.287 86 HZ PHE 10 HZ PHE 10 81.004 -6.087 -6.745 87 H VAL 11 H VAL 11 81.370 -1.966 -11.284 88 HA VAL 11 HA VAL 11 82.342 -4.556 -11.034 89 HB VAL 11 HB VAL 11 81.827 -4.808 -13.450 90 HG11 VAL 11 HG11 VAL 11 79.485 -4.482 -13.203 91 HG12 VAL 11 HG12 VAL 11 79.716 -3.144 -12.080 92 HG13 VAL 11 HG13 VAL 11 80.089 -4.791 -11.575 93 HG21 VAL 11 HG21 VAL 11 80.932 -2.838 -14.650 94 HG22 VAL 11 HG22 VAL 11 82.615 -2.591 -14.183 95 HG23 VAL 11 HG23 VAL 11 81.323 -1.827 -13.260 96 H GLN 12 H GLN 12 83.838 -1.741 -12.484 97 HA GLN 12 HA GLN 12 86.019 -3.387 -13.550 98 HB2 GLN 12 HB2 GLN 12 86.757 -1.397 -14.673 99 HB3 GLN 12 HB1 GLN 12 85.016 -1.557 -14.901 100 HG2 GLN 12 HG2 GLN 12 84.714 -0.017 -12.909 101 HG3 GLN 12 HG1 GLN 12 86.453 0.275 -12.967 102 HE21 GLN 12 HE21 GLN 12 85.787 -0.241 -16.113 103 HE22 GLN 12 HE22 GLN 12 85.408 1.333 -16.614 104 H LYS 13 H LYS 13 85.415 -1.201 -10.869 105 HA LYS 13 HA LYS 13 88.303 -1.105 -10.306 106 HB2 LYS 13 HB2 LYS 13 86.668 0.942 -10.333 107 HB3 LYS 13 HB3 LYS 13 86.288 0.410 -8.698 108 HG2 LYS 13 HG2 LYS 13 88.101 1.651 -8.092 109 HG3 LYS 13 HG3 LYS 13 89.044 0.291 -8.691 110 HD2 LYS 13 HD2 LYS 13 88.190 2.669 -10.376 111 HD3 LYS 13 HD3 LYS 13 89.781 2.484 -9.641 112 HE2 LYS 13 HE2 LYS 13 90.023 0.307 -10.885 113 HE3 LYS 13 HE3 LYS 13 88.522 0.687 -11.731 114 HZ1 LYS 13 HZ1 LYS 13 90.671 2.684 -11.673 115 HZ2 LYS 13 HZ2 LYS 13 89.480 2.414 -12.852 116 HZ3 LYS 13 HZ3 LYS 13 90.811 1.366 -12.732 117 H CYS 14 H CYS 14 85.383 -1.448 -8.222 118 HA CYS 14 HA CYS 14 87.006 -2.695 -6.186 119 HB2 CYS 14 HB2 CYS 14 84.026 -2.596 -6.062 120 HB3 CYS 14 HB1 CYS 14 85.196 -2.452 -4.757 121 H ALA 15 H ALA 15 84.512 -3.897 -8.412 122 HA ALA 15 HA ALA 15 84.002 -6.361 -7.316 123 HB1 ALA 15 HB1 ALA 15 82.805 -5.919 -9.264 124 HB2 ALA 15 HB2 ALA 15 83.947 -7.147 -9.808 125 HB3 ALA 15 HB3 ALA 15 84.248 -5.446 -10.159 126 H GLN 16 H GLN 16 86.951 -5.246 -8.781 127 HA GLN 16 HA GLN 16 88.243 -7.557 -9.515 128 HB2 GLN 16 HB2 GLN 16 89.247 -5.041 -8.212 129 HB3 GLN 16 HB1 GLN 16 90.351 -6.349 -8.636 130 HG2 GLN 16 HG2 GLN 16 89.913 -6.145 -10.935 131 HG3 GLN 16 HG1 GLN 16 88.393 -5.293 -10.667 132 HE21 GLN 16 HE21 GLN 16 91.047 -4.256 -8.683 133 HE22 GLN 16 HE22 GLN 16 91.394 -2.831 -9.535 134 H CYS 17 H CYS 17 88.484 -6.108 -6.230 135 HA CYS 17 HA CYS 17 88.908 -8.854 -5.197 136 HB2 CYS 17 HB2 CYS 17 90.070 -6.644 -3.615 137 HB3 CYS 17 HB1 CYS 17 90.734 -8.228 -3.997 138 H HIS 18 H HSD 18 86.335 -8.024 -5.288 139 HA HIS 18 HA HSD 18 85.672 -7.883 -2.468 140 HB2 HIS 18 HB2 HSD 18 85.128 -5.589 -4.326 141 HB3 HIS 18 HB1 HSD 18 84.018 -5.933 -3.002 142 HD1 HIS 18 HD1 HSD 18 84.972 -5.734 -0.556 143 HD2 HIS 18 HD2 HSD 18 87.604 -4.508 -3.542 144 HE1 HIS 18 HE1 HSD 18 86.820 -4.446 0.604 145 H THR 19 H THR 19 83.079 -7.529 -2.412 146 HA THR 19 HA THR 19 81.822 -9.116 -4.543 147 HB THR 19 HB THR 19 80.807 -10.012 -2.007 148 HG1 THR 19 HG1 THR 19 83.246 -11.036 -1.963 149 HG21 THR 19 HG21 THR 19 82.414 -11.341 -4.204 150 HG22 THR 19 HG22 THR 19 80.657 -11.308 -4.053 151 HG23 THR 19 HG23 THR 19 81.627 -12.208 -2.887 152 H VAL 20 H VAL 20 81.525 -7.086 -1.689 153 HA VAL 20 HA VAL 20 79.773 -5.833 -0.867 154 HB VAL 20 HB VAL 20 79.034 -4.139 -2.423 155 HG11 VAL 20 HG11 VAL 20 81.223 -3.383 -3.253 156 HG12 VAL 20 HG12 VAL 20 81.879 -5.001 -3.019 157 HG13 VAL 20 HG13 VAL 20 81.372 -4.047 -1.629 158 HG21 VAL 20 HG21 VAL 20 78.548 -5.784 -4.292 159 HG22 VAL 20 HG22 VAL 20 80.278 -5.804 -4.618 160 HG23 VAL 20 HG23 VAL 20 79.366 -4.309 -4.796 161 H GLU 21 H GLU 21 78.985 -8.570 -1.593 162 HA GLU 21 HA GLU 21 76.108 -8.036 -1.995 163 HB2 GLU 21 HB2 GLU 21 75.848 -9.858 -3.481 164 HB3 GLU 21 HB3 GLU 21 77.267 -8.991 -4.067 165 HG2 GLU 21 HG2 GLU 21 78.612 -10.625 -2.552 166 HG3 GLU 21 HG3 GLU 21 77.141 -11.598 -2.563 167 H LYS 22 H LYS 22 75.033 -8.649 -0.258 168 HA LYS 22 HA LYS 22 76.102 -10.123 1.872 169 HB2 LYS 22 HB2 LYS 22 74.152 -8.613 2.064 170 HB3 LYS 22 HB3 LYS 22 73.185 -9.771 1.149 171 HG2 LYS 22 HG2 LYS 22 73.154 -11.326 2.878 172 HG3 LYS 22 HG3 LYS 22 74.667 -10.740 3.573 173 HD2 LYS 22 HD2 LYS 22 73.581 -8.757 4.431 174 HD3 LYS 22 HD3 LYS 22 72.085 -9.157 3.588 175 HE2 LYS 22 HE2 LYS 22 73.361 -10.719 5.850 176 HE3 LYS 22 HE3 LYS 22 71.852 -9.808 5.917 177 HZ1 LYS 22 HZ1 LYS 22 72.426 -12.308 4.454 178 HZ2 LYS 22 HZ2 LYS 22 71.113 -11.319 4.028 179 HZ3 LYS 22 HZ3 LYS 22 71.198 -12.002 5.581 180 H GLY 23 H GLY 23 76.126 -12.243 2.401 181 HA2 GLY 23 HA2 GLY 23 75.778 -14.522 2.256 182 HA3 GLY 23 HA3 GLY 23 74.493 -14.212 1.091 183 H GLY 24 H GLY 24 77.560 -12.775 0.475 184 HA2 GLY 24 HA2 GLY 24 77.925 -14.535 -1.847 185 HA3 GLY 24 HA3 GLY 24 78.717 -12.984 -1.579 186 H LYS 25 H LYS 25 80.819 -13.607 -1.792 187 HA LYS 25 HA LYS 25 81.951 -15.123 0.424 188 HB2 LYS 25 HB2 LYS 25 83.341 -16.448 -1.333 189 HB3 LYS 25 HB3 LYS 25 81.702 -16.986 -0.970 190 HG2 LYS 25 HG2 LYS 25 80.827 -15.993 -2.953 191 HG3 LYS 25 HG3 LYS 25 82.304 -15.071 -3.230 192 HD2 LYS 25 HD2 LYS 25 83.544 -17.194 -3.573 193 HD3 LYS 25 HD3 LYS 25 82.039 -18.089 -3.359 194 HE2 LYS 25 HE2 LYS 25 81.062 -17.016 -5.308 195 HE3 LYS 25 HE3 LYS 25 82.469 -15.967 -5.481 196 HZ1 LYS 25 HZ1 LYS 25 83.348 -18.623 -5.371 197 HZ2 LYS 25 HZ2 LYS 25 83.454 -17.532 -6.669 198 HZ3 LYS 25 HZ3 LYS 25 82.094 -18.539 -6.510 199 H HIS 26 H HIS 26 83.578 -13.918 1.140 200 HA HIS 26 HA HIS 26 84.649 -11.693 -0.136 201 HB2 HIS 26 HB2 HIS 26 86.691 -12.307 1.481 202 HB3 HIS 26 HB1 HIS 26 85.167 -11.677 2.104 203 HD1 HIS 26 HD1 HIS 26 86.520 -15.137 1.184 204 HD2 HIS 26 HD2 HIS 26 84.222 -13.283 4.127 205 HE1 HIS 26 HE1 HIS 26 85.902 -16.940 2.852 206 HE2 HIS 26 HE2 HIS 26 84.501 -15.824 4.654 207 H LYS 27 H LYS 27 85.818 -11.536 -1.909 208 HA LYS 27 HA LYS 27 87.585 -13.784 -2.687 209 HB2 LYS 27 HB2 LYS 27 85.670 -13.206 -4.223 210 HB3 LYS 27 HB3 LYS 27 86.438 -11.640 -4.485 211 HG2 LYS 27 HG2 LYS 27 88.535 -12.904 -5.167 212 HG3 LYS 27 HG3 LYS 27 87.561 -14.374 -5.149 213 HD2 LYS 27 HD2 LYS 27 86.686 -11.954 -6.730 214 HD3 LYS 27 HD3 LYS 27 87.823 -13.118 -7.407 215 HE2 LYS 27 HE2 LYS 27 85.051 -13.760 -6.354 216 HE3 LYS 27 HE3 LYS 27 85.523 -13.697 -8.051 217 HZ1 LYS 27 HZ1 LYS 27 85.897 -15.787 -6.144 218 HZ2 LYS 27 HZ2 LYS 27 87.360 -15.351 -6.893 219 HZ3 LYS 27 HZ3 LYS 27 86.031 -15.833 -7.835 220 H THR 28 H THR 28 89.686 -13.400 -2.428 221 HA THR 28 HA THR 28 91.632 -12.232 -1.978 222 HB THR 28 HB THR 28 90.682 -10.627 -4.361 223 HG1 THR 28 HG1 THR 28 91.785 -13.203 -4.102 224 HG21 THR 28 HG21 THR 28 93.320 -10.935 -4.717 225 HG22 THR 28 HG22 THR 28 93.288 -11.020 -2.958 226 HG23 THR 28 HG23 THR 28 92.660 -9.595 -3.784 227 H GLY 29 H GLY 29 89.163 -11.237 -0.675 228 HA2 GLY 29 HA2 GLY 29 90.142 -9.061 0.715 229 HA3 GLY 29 HA3 GLY 29 89.213 -8.383 -0.619 230 HA PRO 30 HA PRO 30 86.480 -9.928 3.003 231 HB2 PRO 30 HB2 PRO 30 86.035 -7.556 4.300 232 HB3 PRO 30 HB1 PRO 30 87.352 -8.666 4.724 233 HG2 PRO 30 HG2 PRO 30 87.432 -6.173 3.092 234 HG3 PRO 30 HG1 PRO 30 88.586 -6.769 4.298 235 HD2 PRO 30 HD2 PRO 30 89.007 -7.020 1.609 236 HD3 PRO 30 HD1 PRO 30 89.635 -8.188 2.794 237 H ASN 31 H ASN 31 84.218 -8.970 3.540 238 HA ASN 31 HA ASN 31 83.026 -8.047 1.014 239 HB2 ASN 31 HB2 ASN 31 80.983 -8.933 1.810 240 HB3 ASN 31 HB1 ASN 31 82.200 -10.100 2.325 241 HD21 ASN 31 HD21 ASN 31 82.392 -10.495 4.563 242 HD22 ASN 31 HD22 ASN 31 81.546 -9.625 5.752 243 H LEU 32 H LEU 32 81.254 -6.424 1.174 244 HA LEU 32 HA LEU 32 81.860 -4.399 3.254 245 HB2 LEU 32 HB2 LEU 32 80.655 -3.826 0.547 246 HB3 LEU 32 HB3 LEU 32 81.318 -2.674 1.699 247 HG LEU 32 HG LEU 32 82.836 -4.713 0.050 248 HD11 LEU 32 HD11 LEU 32 82.089 -2.136 -0.546 249 HD12 LEU 32 HD12 LEU 32 83.506 -2.939 -1.217 250 HD13 LEU 32 HD13 LEU 32 83.674 -1.877 0.180 251 HD21 LEU 32 HD21 LEU 32 84.042 -4.834 2.043 252 HD22 LEU 32 HD22 LEU 32 83.618 -3.196 2.521 253 HD23 LEU 32 HD23 LEU 32 84.824 -3.462 1.269 254 H HIS 33 H HIS 33 79.986 -6.587 3.546 255 HA HIS 33 HA HIS 33 77.317 -5.808 3.055 256 HB2 HIS 33 HB2 HIS 33 78.369 -7.535 5.309 257 HB3 HIS 33 HB1 HIS 33 76.711 -7.493 4.710 258 HD1 HIS 33 HD1 HIS 33 78.822 -9.970 4.617 259 HD2 HIS 33 HD2 HIS 33 77.634 -7.556 1.432 260 HE1 HIS 33 HE1 HIS 33 79.226 -11.315 2.509 261 HE2 HIS 33 HE2 HIS 33 78.501 -9.861 0.560 262 H GLY 34 H GLY 34 75.873 -4.578 4.196 263 HA2 GLY 34 HA2 GLY 34 75.337 -2.708 5.488 264 HA3 GLY 34 HA3 GLY 34 75.718 -3.839 6.786 265 H LEU 35 H LEU 35 78.044 -2.667 4.460 266 HA LEU 35 HA LEU 35 80.082 -2.068 6.185 267 HB2 LEU 35 HB2 LEU 35 80.360 -2.135 3.765 268 HB3 LEU 35 HB3 LEU 35 79.359 -0.698 3.585 269 HG LEU 35 HG LEU 35 81.147 0.371 5.226 270 HD11 LEU 35 HD11 LEU 35 82.239 -1.988 5.388 271 HD12 LEU 35 HD12 LEU 35 83.292 -0.589 5.188 272 HD13 LEU 35 HD13 LEU 35 82.908 -1.607 3.806 273 HD21 LEU 35 HD21 LEU 35 82.306 1.246 3.323 274 HD22 LEU 35 HD22 LEU 35 80.655 0.935 2.790 275 HD23 LEU 35 HD23 LEU 35 81.946 -0.188 2.363 276 H PHE 36 H PHE 36 77.834 0.337 4.824 277 HA PHE 36 HA PHE 36 78.726 2.537 6.270 278 HB2 PHE 36 HB2 PHE 36 75.857 2.046 5.454 279 HB3 PHE 36 HB1 PHE 36 76.657 3.602 5.679 280 HD1 PHE 36 HD2 PHE 36 76.557 0.544 3.566 281 HD2 PHE 36 HD1 PHE 36 78.031 4.562 3.957 282 HE1 PHE 36 HE2 PHE 36 77.323 0.497 1.209 283 HE2 PHE 36 HE1 PHE 36 78.789 4.512 1.605 284 HZ PHE 36 HZ PHE 36 78.434 2.483 0.228 285 H GLY 37 H GLY 37 79.137 2.089 8.452 286 HA2 GLY 37 HA2 GLY 37 77.699 2.813 10.469 287 HA3 GLY 37 HA3 GLY 37 76.805 1.347 10.109 288 H ARG 38 H ARG 38 79.403 -0.035 9.349 289 HA ARG 38 HA ARG 38 80.040 -0.876 12.074 290 HB2 ARG 38 HB2 ARG 38 80.314 -2.028 9.363 291 HB3 ARG 38 HB3 ARG 38 81.578 -2.468 10.511 292 HG2 ARG 38 HG2 ARG 38 79.779 -3.126 12.140 293 HG3 ARG 38 HG3 ARG 38 78.591 -2.843 10.867 294 HD2 ARG 38 HD2 ARG 38 80.790 -4.524 9.937 295 HD3 ARG 38 HD3 ARG 38 79.974 -5.230 11.326 296 HE ARG 38 HE ARG 38 77.853 -4.682 9.895 297 HH11 ARG 38 HH21 ARG 38 80.954 -5.767 8.754 298 HH12 ARG 38 HH22 ARG 38 80.307 -6.549 7.353 299 HH21 ARG 38 HH11 ARG 38 77.020 -5.722 8.070 300 HH22 ARG 38 HH12 ARG 38 78.086 -6.530 6.971 301 H LYS 39 H LYS 39 82.008 -0.791 13.051 302 HA LYS 39 HA LYS 39 83.754 1.338 12.439 303 HB2 LYS 39 HB2 LYS 39 83.885 -1.013 14.304 304 HB3 LYS 39 HB3 LYS 39 85.280 0.047 14.111 305 HG2 LYS 39 HG2 LYS 39 82.602 1.309 14.588 306 HG3 LYS 39 HG3 LYS 39 83.422 0.552 15.952 307 HD2 LYS 39 HD2 LYS 39 85.410 1.933 15.563 308 HD3 LYS 39 HD3 LYS 39 84.651 2.657 14.145 309 HE2 LYS 39 HE2 LYS 39 82.802 3.482 15.628 310 HE3 LYS 39 HE3 LYS 39 83.710 2.884 17.017 311 HZ1 LYS 39 HZ1 LYS 39 85.568 4.304 16.325 312 HZ2 LYS 39 HZ2 LYS 39 84.171 5.203 16.681 313 HZ3 LYS 39 HZ3 LYS 39 84.619 4.928 15.066 314 H THR 40 H THR 40 86.217 0.934 12.249 315 HA THR 40 HA THR 40 86.693 -0.366 9.760 316 HB THR 40 HB THR 40 89.124 0.160 10.330 317 HG1 THR 40 HG1 THR 40 87.904 1.602 12.432 318 HG21 THR 40 HG21 THR 40 87.020 2.336 10.368 319 HG22 THR 40 HG22 THR 40 87.805 1.652 8.945 320 HG23 THR 40 HG23 THR 40 88.737 2.619 10.088 321 H GLY 41 H GLY 41 87.887 -2.203 9.283 322 HA2 GLY 41 HA2 GLY 41 88.445 -4.419 9.552 323 HA3 GLY 41 HA3 GLY 41 89.348 -3.835 10.947 324 H GLN 42 H GLN 42 85.860 -4.143 10.250 325 HA GLN 42 HA GLN 42 85.580 -5.599 12.816 326 HB2 GLN 42 HB2 GLN 42 84.403 -3.339 12.464 327 HB3 GLN 42 HB1 GLN 42 83.343 -4.207 11.354 328 HG2 GLN 42 HG2 GLN 42 82.951 -5.880 13.239 329 HG3 GLN 42 HG1 GLN 42 83.758 -4.731 14.304 330 HE21 GLN 42 HE21 GLN 42 82.708 -2.318 13.036 331 HE22 GLN 42 HE22 GLN 42 81.049 -2.255 13.386 332 H ALA 43 H ALA 43 85.194 -5.811 9.400 333 HA ALA 43 HA ALA 43 83.175 -7.778 9.272 334 HB1 ALA 43 HB1 ALA 43 84.818 -8.258 7.090 335 HB2 ALA 43 HB2 ALA 43 85.110 -6.558 7.460 336 HB3 ALA 43 HB3 ALA 43 83.472 -7.121 7.140 337 HA PRO 44 HA PRO 44 85.780 -11.076 10.903 338 HB2 PRO 44 HB2 PRO 44 83.859 -12.961 11.163 339 HB3 PRO 44 HB1 PRO 44 83.953 -11.565 12.255 340 HG2 PRO 44 HG2 PRO 44 82.159 -12.018 9.917 341 HG3 PRO 44 HG1 PRO 44 81.792 -11.304 11.496 342 HD2 PRO 44 HD2 PRO 44 82.275 -9.826 9.210 343 HD3 PRO 44 HD1 PRO 44 82.518 -9.213 10.862 344 H GLY 45 H GLY 45 87.150 -11.971 9.442 345 HA2 GLY 45 HA2 GLY 45 86.779 -14.243 8.023 346 HA3 GLY 45 HA3 GLY 45 86.207 -13.009 6.905 347 H PHE 46 H PHE 46 87.713 -11.277 6.324 348 HA PHE 46 HA PHE 46 90.294 -12.315 5.679 349 HB2 PHE 46 HB2 PHE 46 88.955 -10.640 4.318 350 HB3 PHE 46 HB1 PHE 46 89.431 -9.425 5.505 351 HD1 PHE 46 HD1 PHE 46 90.855 -12.037 3.234 352 HD2 PHE 46 HD2 PHE 46 91.507 -8.337 5.315 353 HE1 PHE 46 HE1 PHE 46 93.044 -11.782 2.094 354 HE2 PHE 46 HE2 PHE 46 93.695 -8.081 4.175 355 HZ PHE 46 HZ PHE 46 94.463 -9.803 2.564 356 H THR 47 H THR 47 92.310 -11.730 6.456 357 HA THR 47 HA THR 47 92.433 -11.018 9.228 358 HB THR 47 HB THR 47 94.736 -11.155 7.281 359 HG1 THR 47 HG1 THR 47 93.092 -13.026 7.606 360 HG21 THR 47 HG21 THR 47 96.024 -11.708 9.263 361 HG22 THR 47 HG22 THR 47 94.562 -11.733 10.248 362 HG23 THR 47 HG23 THR 47 95.138 -10.214 9.564 363 H TYR 48 H TYR 48 91.389 -8.921 9.147 364 HA TYR 48 HA TYR 48 92.290 -6.717 7.678 365 HB2 TYR 48 HB2 TYR 48 90.803 -7.063 10.251 366 HB3 TYR 48 HB3 TYR 48 91.375 -5.455 9.821 367 HD1 TYR 48 HD2 TYR 48 90.688 -4.424 7.650 368 HD2 TYR 48 HD1 TYR 48 88.962 -8.075 9.105 369 HE1 TYR 48 HE2 TYR 48 88.793 -4.152 6.081 370 HE2 TYR 48 HE1 TYR 48 87.065 -7.804 7.532 371 HH TYR 48 HH TYR 48 86.428 -4.903 5.924 372 H THR 49 H THR 49 93.634 -4.956 8.252 373 HA THR 49 HA THR 49 96.015 -5.774 9.695 374 HB THR 49 HB THR 49 96.981 -3.709 8.880 375 HG1 THR 49 HG1 THR 49 94.315 -3.119 8.121 376 HG21 THR 49 HG21 THR 49 96.418 -5.731 7.315 377 HG22 THR 49 HG22 THR 49 96.950 -4.212 6.594 378 HG23 THR 49 HG23 THR 49 95.236 -4.628 6.611 379 H ASP 50 H ASP 50 96.919 -4.674 11.476 380 HA ASP 50 HA ASP 50 95.304 -4.141 13.625 381 HB2 ASP 50 HB2 ASP 50 97.693 -4.426 13.888 382 HB3 ASP 50 HB1 ASP 50 98.007 -2.943 12.988 383 H ALA 51 H ALA 51 96.462 -1.849 11.189 384 HA ALA 51 HA ALA 51 95.550 0.527 12.338 385 HB1 ALA 51 HB1 ALA 51 95.835 -0.306 9.449 386 HB2 ALA 51 HB2 ALA 51 96.958 0.647 10.419 387 HB3 ALA 51 HB3 ALA 51 95.406 1.333 9.940 388 H ASN 52 H ASN 52 93.836 -1.848 10.345 389 HA ASN 52 HA ASN 52 91.395 -0.288 10.331 390 HB2 ASN 52 HB2 ASN 52 92.274 -2.927 9.232 391 HB3 ASN 52 HB1 ASN 52 90.548 -2.642 9.437 392 HD21 ASN 52 HD21 ASN 52 90.204 -2.540 7.105 393 HD22 ASN 52 HD22 ASN 52 90.725 -1.199 6.202 394 H LYS 53 H LYS 53 92.840 -2.793 12.247 395 HA LYS 53 HA LYS 53 90.364 -3.483 13.604 396 HB2 LYS 53 HB2 LYS 53 91.607 -5.386 13.697 397 HB3 LYS 53 HB3 LYS 53 93.119 -4.518 13.471 398 HG2 LYS 53 HG2 LYS 53 93.149 -3.881 15.834 399 HG3 LYS 53 HG3 LYS 53 91.576 -4.645 16.079 400 HD2 LYS 53 HD2 LYS 53 92.626 -6.814 15.286 401 HD3 LYS 53 HD3 LYS 53 94.188 -5.996 15.365 402 HE2 LYS 53 HE2 LYS 53 92.271 -6.550 17.637 403 HE3 LYS 53 HE3 LYS 53 93.935 -7.109 17.464 404 HZ1 LYS 53 HZ1 LYS 53 94.516 -4.644 17.429 405 HZ2 LYS 53 HZ2 LYS 53 94.074 -5.323 18.923 406 HZ3 LYS 53 HZ3 LYS 53 92.959 -4.383 18.050 407 H ASN 54 H ASN 54 92.688 -1.067 13.753 408 HA ASN 54 HA ASN 54 92.876 -0.605 16.542 409 HB2 ASN 54 HB2 ASN 54 93.985 1.329 15.960 410 HB3 ASN 54 HB1 ASN 54 94.191 0.399 14.481 411 HD21 ASN 54 HD21 ASN 54 91.506 0.727 13.447 412 HD22 ASN 54 HD22 ASN 54 91.306 2.362 13.040 413 H LYS 55 H LYS 55 90.396 -0.130 14.256 414 HA LYS 55 HA LYS 55 88.307 0.847 14.359 415 HB2 LYS 55 HB2 LYS 55 88.776 0.382 17.311 416 HB3 LYS 55 HB3 LYS 55 87.220 0.806 16.594 417 HG2 LYS 55 HG2 LYS 55 87.152 -1.227 15.322 418 HG3 LYS 55 HG3 LYS 55 88.829 -1.604 15.721 419 HD2 LYS 55 HD2 LYS 55 88.116 -1.673 18.159 420 HD3 LYS 55 HD3 LYS 55 86.449 -1.594 17.591 421 HE2 LYS 55 HE2 LYS 55 86.926 -3.917 17.859 422 HE3 LYS 55 HE3 LYS 55 87.000 -3.613 16.123 423 HZ1 LYS 55 HZ1 LYS 55 89.344 -3.560 16.183 424 HZ2 LYS 55 HZ2 LYS 55 88.885 -4.935 17.068 425 HZ3 LYS 55 HZ3 LYS 55 89.385 -3.528 17.878 426 H GLY 56 H GLY 56 89.792 2.790 13.713 427 HA2 GLY 56 HA2 GLY 56 89.882 4.887 15.751 428 HA3 GLY 56 HA3 GLY 56 90.552 4.983 14.125 429 H ILE 57 H ILE 57 88.228 4.145 12.718 430 HA ILE 57 HA ILE 57 86.202 6.174 13.383 431 HB ILE 57 HB ILE 57 86.152 7.001 11.098 432 HG12 ILE 57 HG12 ILE 57 88.334 6.208 9.736 433 HG13 ILE 57 HG13 ILE 57 88.088 4.748 10.690 434 HG21 ILE 57 HG21 ILE 57 87.763 7.948 12.813 435 HG22 ILE 57 HG22 ILE 57 88.201 8.250 11.132 436 HG23 ILE 57 HG23 ILE 57 89.026 6.987 12.046 437 HD11 ILE 57 HD11 ILE 57 86.918 4.941 8.367 438 HD12 ILE 57 HD12 ILE 57 85.778 5.994 9.201 439 HD13 ILE 57 HD13 ILE 57 85.984 4.324 9.725 440 H THR 58 H THR 58 84.392 5.909 11.530 441 HA THR 58 HA THR 58 83.911 3.010 11.214 442 HB THR 58 HB THR 58 82.030 5.150 12.196 443 HG1 THR 58 HG1 THR 58 81.717 3.370 13.751 444 HG21 THR 58 HG21 THR 58 81.463 2.577 10.779 445 HG22 THR 58 HG22 THR 58 80.571 4.095 10.742 446 HG23 THR 58 HG23 THR 58 80.431 3.023 12.135 447 H TRP 59 H TRP 59 83.025 2.327 9.332 448 HA TRP 59 HA TRP 59 83.306 3.946 7.036 449 HB2 TRP 59 HB2 TRP 59 81.510 1.532 7.142 450 HB3 TRP 59 HB1 TRP 59 82.497 2.118 5.803 451 HD1 TRP 59 HD1 TRP 59 85.268 2.443 7.176 452 HE1 TRP 59 HE1 TRP 59 86.584 0.367 7.975 453 HE3 TRP 59 HE3 TRP 59 81.463 -0.932 7.594 454 HZ2 TRP 59 HZ2 TRP 59 86.075 -2.342 8.724 455 HZ3 TRP 59 HZ3 TRP 59 81.907 -3.248 8.343 456 HH2 TRP 59 HH2 TRP 59 84.210 -3.956 8.910 457 H LYS 60 H LYS 60 81.884 5.134 5.880 458 HA LYS 60 HA LYS 60 79.038 5.065 6.404 459 HB2 LYS 60 HB2 LYS 60 80.718 7.468 7.158 460 HB3 LYS 60 HB3 LYS 60 78.974 7.542 6.916 461 HG2 LYS 60 HG2 LYS 60 78.839 5.601 8.616 462 HG3 LYS 60 HG3 LYS 60 80.505 6.013 9.022 463 HD2 LYS 60 HD2 LYS 60 78.275 8.060 9.019 464 HD3 LYS 60 HD3 LYS 60 78.713 7.128 10.451 465 HE2 LYS 60 HE2 LYS 60 81.078 7.955 10.167 466 HE3 LYS 60 HE3 LYS 60 80.489 9.025 8.895 467 HZ1 LYS 60 HZ1 LYS 60 78.805 9.305 11.102 468 HZ2 LYS 60 HZ2 LYS 60 79.870 10.455 10.445 469 HZ3 LYS 60 HZ3 LYS 60 80.400 9.407 11.672 470 H GLU 61 H GLU 61 78.367 7.496 5.192 471 HA GLU 61 HA GLU 61 78.900 6.840 2.445 472 HB2 GLU 61 HB2 GLU 61 76.717 7.712 3.107 473 HB3 GLU 61 HB3 GLU 61 77.466 9.205 3.674 474 HG2 GLU 61 HG2 GLU 61 78.143 9.814 1.461 475 HG3 GLU 61 HG3 GLU 61 77.743 8.219 0.829 476 H GLU 62 H GLU 62 79.489 9.802 4.362 477 HA GLU 62 HA GLU 62 81.203 10.958 2.401 478 HB2 GLU 62 HB2 GLU 62 81.684 12.639 4.094 479 HB3 GLU 62 HB3 GLU 62 79.958 12.275 4.103 480 HG2 GLU 62 HG2 GLU 62 80.454 10.591 5.952 481 HG3 GLU 62 HG3 GLU 62 82.062 11.308 6.048 482 H THR 63 H THR 63 81.778 9.081 5.349 483 HA THR 63 HA THR 63 84.565 9.396 5.491 484 HB THR 63 HB THR 63 84.564 7.333 6.802 485 HG1 THR 63 HG1 THR 63 82.893 5.973 6.759 486 HG21 THR 63 HG21 THR 63 82.250 9.220 7.229 487 HG22 THR 63 HG22 THR 63 83.820 9.223 8.031 488 HG23 THR 63 HG23 THR 63 82.652 7.949 8.384 489 H LEU 64 H LEU 64 82.530 7.250 3.597 490 HA LEU 64 HA LEU 64 84.622 5.605 2.609 491 HB2 LEU 64 HB2 LEU 64 81.762 5.963 2.099 492 HB3 LEU 64 HB3 LEU 64 82.664 5.569 0.646 493 HG LEU 64 HG LEU 64 82.814 3.999 3.234 494 HD11 LEU 64 HD11 LEU 64 80.805 3.201 2.537 495 HD12 LEU 64 HD12 LEU 64 81.742 2.330 1.324 496 HD13 LEU 64 HD13 LEU 64 80.987 3.869 0.917 497 HD21 LEU 64 HD21 LEU 64 84.769 3.328 2.271 498 HD22 LEU 64 HD22 LEU 64 84.328 3.971 0.691 499 HD23 LEU 64 HD23 LEU 64 83.734 2.389 1.198 500 H MET 65 H MET 65 83.182 8.648 1.529 501 HA MET 65 HA MET 65 84.317 8.787 -1.032 502 HB2 MET 65 HB2 MET 65 83.776 11.049 0.907 503 HB3 MET 65 HB1 MET 65 84.066 11.234 -0.822 504 HG2 MET 65 HG2 MET 65 82.078 9.992 -1.364 505 HG3 MET 65 HG1 MET 65 81.844 9.532 0.321 506 HE1 MET 65 HE1 MET 65 80.174 13.013 -1.834 507 HE2 MET 65 HE2 MET 65 80.296 11.291 -2.188 508 HE3 MET 65 HE3 MET 65 81.719 12.319 -2.347 509 H GLU 66 H GLU 66 85.576 10.260 1.976 510 HA GLU 66 HA GLU 66 88.023 11.115 0.881 511 HB2 GLU 66 HB2 GLU 66 87.412 10.311 3.737 512 HB3 GLU 66 HB3 GLU 66 88.795 11.270 3.209 513 HG2 GLU 66 HG2 GLU 66 87.063 12.868 2.167 514 HG3 GLU 66 HG3 GLU 66 85.870 12.017 3.146 515 H TYR 67 H TYR 67 86.930 8.032 2.046 516 HA TYR 67 HA TYR 67 89.549 6.838 2.234 517 HB2 TYR 67 HB2 TYR 67 87.891 5.884 3.633 518 HB3 TYR 67 HB3 TYR 67 86.730 5.787 2.316 519 HD1 TYR 67 HD2 TYR 67 86.989 4.098 0.520 520 HD2 TYR 67 HD1 TYR 67 89.595 4.196 3.933 521 HE1 TYR 67 HE2 TYR 67 87.746 1.793 0.008 522 HE2 TYR 67 HE1 TYR 67 90.351 1.890 3.422 523 HH TYR 67 HH TYR 67 88.925 0.045 0.736 524 H LEU 68 H LEU 68 87.074 7.220 -0.189 525 HA LEU 68 HA LEU 68 88.155 5.253 -1.998 526 HB2 LEU 68 HB2 LEU 68 86.009 7.355 -2.165 527 HB3 LEU 68 HB3 LEU 68 86.561 6.532 -3.616 528 HG LEU 68 HG LEU 68 85.475 5.167 -1.136 529 HD11 LEU 68 HD11 LEU 68 84.241 5.283 -3.890 530 HD12 LEU 68 HD12 LEU 68 83.859 6.469 -2.645 531 HD13 LEU 68 HD13 LEU 68 83.497 4.763 -2.380 532 HD21 LEU 68 HD21 LEU 68 86.823 4.189 -3.597 533 HD22 LEU 68 HD22 LEU 68 85.371 3.318 -3.115 534 HD23 LEU 68 HD23 LEU 68 86.725 3.458 -1.996 535 H GLU 69 H GLU 69 88.736 8.592 -1.301 536 HA GLU 69 HA GLU 69 90.030 9.128 -3.848 537 HB2 GLU 69 HB2 GLU 69 88.976 11.044 -3.054 538 HB3 GLU 69 HB3 GLU 69 89.383 10.698 -1.375 539 HG2 GLU 69 HG2 GLU 69 91.630 11.383 -1.663 540 HG3 GLU 69 HG3 GLU 69 91.502 11.336 -3.420 541 H ASN 70 H ASN 70 90.822 7.772 -0.847 542 HA ASN 70 HA ASN 70 93.506 7.250 -1.556 543 HB2 ASN 70 HB2 ASN 70 93.379 9.811 -0.800 544 HB3 ASN 70 HB1 ASN 70 93.498 9.086 0.799 545 HD21 ASN 70 HD21 ASN 70 95.249 6.982 0.456 546 HD22 ASN 70 HD22 ASN 70 96.742 7.535 -0.133 547 HA PRO 71 HA PRO 71 91.199 4.574 1.550 548 HB2 PRO 71 HB2 PRO 71 92.914 2.666 0.007 549 HB3 PRO 71 HB1 PRO 71 91.237 2.485 0.554 550 HG2 PRO 71 HG2 PRO 71 91.819 3.030 -1.987 551 HG3 PRO 71 HG1 PRO 71 90.392 3.717 -1.193 552 HD2 PRO 71 HD2 PRO 71 92.947 5.050 -1.947 553 HD3 PRO 71 HD1 PRO 71 91.317 5.741 -1.793 554 H LYS 72 H LYS 72 94.601 4.700 0.569 555 HA LYS 72 HA LYS 72 95.568 3.354 2.911 556 HB2 LYS 72 HB2 LYS 72 96.753 3.380 0.713 557 HB3 LYS 72 HB3 LYS 72 97.104 5.087 0.972 558 HG2 LYS 72 HG2 LYS 72 98.906 4.520 2.205 559 HG3 LYS 72 HG3 LYS 72 97.842 3.734 3.369 560 HD2 LYS 72 HD2 LYS 72 98.807 2.374 0.837 561 HD3 LYS 72 HD3 LYS 72 99.644 2.243 2.383 562 HE2 LYS 72 HE2 LYS 72 96.797 1.380 1.791 563 HE3 LYS 72 HE3 LYS 72 98.168 0.332 2.149 564 HZ1 LYS 72 HZ1 LYS 72 97.040 0.530 4.158 565 HZ2 LYS 72 HZ2 LYS 72 96.757 2.194 3.957 566 HZ3 LYS 72 HZ3 LYS 72 98.321 1.631 4.310 567 H LYS 73 H LYS 73 95.582 6.766 1.854 568 HA LYS 73 HA LYS 73 96.918 7.732 4.140 569 HB2 LYS 73 HB2 LYS 73 96.487 8.897 1.865 570 HB3 LYS 73 HB3 LYS 73 94.964 9.407 2.591 571 HG2 LYS 73 HG2 LYS 73 96.375 10.227 4.578 572 HG3 LYS 73 HG3 LYS 73 97.771 10.023 3.521 573 HD2 LYS 73 HD2 LYS 73 97.259 12.227 3.041 574 HD3 LYS 73 HD3 LYS 73 96.249 11.429 1.834 575 HE2 LYS 73 HE2 LYS 73 94.812 12.996 2.904 576 HE3 LYS 73 HE3 LYS 73 94.397 11.437 3.616 577 HZ1 LYS 73 HZ1 LYS 73 96.528 12.900 4.933 578 HZ2 LYS 73 HZ2 LYS 73 95.241 12.013 5.600 579 HZ3 LYS 73 HZ3 LYS 73 94.988 13.600 5.047 580 H TYR 74 H TYR 74 93.556 6.963 3.571 581 HA TYR 74 HA TYR 74 92.466 8.504 5.692 582 HB2 TYR 74 HB2 TYR 74 91.328 7.186 3.679 583 HB3 TYR 74 HB3 TYR 74 91.186 5.922 4.899 584 HD1 TYR 74 HD1 TYR 74 90.763 9.657 4.701 585 HD2 TYR 74 HD2 TYR 74 89.198 5.916 6.121 586 HE1 TYR 74 HE1 TYR 74 88.832 10.844 5.700 587 HE2 TYR 74 HE2 TYR 74 87.266 7.106 7.119 588 HH TYR 74 HH TYR 74 86.448 10.256 6.347 589 H ILE 75 H ILE 75 93.162 5.008 5.510 590 HA ILE 75 HA ILE 75 93.600 5.036 8.439 591 HB ILE 75 HB ILE 75 92.325 2.805 6.832 592 HG12 ILE 75 HG12 ILE 75 91.000 4.498 8.956 593 HG13 ILE 75 HG13 ILE 75 90.987 4.991 7.264 594 HG21 ILE 75 HG21 ILE 75 91.800 2.041 9.251 595 HG22 ILE 75 HG22 ILE 75 93.068 3.164 9.739 596 HG23 ILE 75 HG23 ILE 75 93.448 1.814 8.670 597 HD11 ILE 75 HD11 ILE 75 90.059 2.264 8.195 598 HD12 ILE 75 HD12 ILE 75 89.838 2.987 6.602 599 HD13 ILE 75 HD13 ILE 75 88.971 3.637 7.992 600 HA PRO 76 HA PRO 76 97.474 3.883 6.007 601 HB2 PRO 76 HB2 PRO 76 98.376 4.658 8.765 602 HB3 PRO 76 HB1 PRO 76 99.144 4.982 7.197 603 HG2 PRO 76 HG2 PRO 76 97.747 6.859 8.475 604 HG3 PRO 76 HG1 PRO 76 97.727 6.725 6.710 605 HD2 PRO 76 HD2 PRO 76 95.581 6.079 8.652 606 HD3 PRO 76 HD1 PRO 76 95.454 6.486 6.929 607 H GLY 77 H GLY 77 97.998 1.786 5.889 608 HA2 GLY 77 HA2 GLY 77 99.059 -0.109 7.066 609 HA3 GLY 77 HA3 GLY 77 97.877 0.132 8.349 610 H THR 78 H THR 78 95.739 0.720 6.368 611 HA THR 78 HA THR 78 94.573 -1.804 6.162 612 HB THR 78 HB THR 78 93.301 0.293 5.972 613 HG1 THR 78 HG1 THR 78 93.218 -1.684 4.004 614 HG21 THR 78 HG21 THR 78 93.428 1.654 3.995 615 HG22 THR 78 HG22 THR 78 94.504 0.500 3.207 616 HG23 THR 78 HG23 THR 78 95.075 1.434 4.590 617 H LYS 79 H LYS 79 94.538 -3.384 4.609 618 HA LYS 79 HA LYS 79 96.680 -3.261 2.622 619 HB2 LYS 79 HB2 LYS 79 95.885 -5.275 4.229 620 HB3 LYS 79 HB3 LYS 79 94.914 -5.649 2.810 621 HG2 LYS 79 HG2 LYS 79 96.876 -6.797 2.313 622 HG3 LYS 79 HG3 LYS 79 97.183 -5.255 1.515 623 HD2 LYS 79 HD2 LYS 79 98.457 -4.473 3.461 624 HD3 LYS 79 HD3 LYS 79 98.104 -5.975 4.316 625 HE2 LYS 79 HE2 LYS 79 99.199 -7.164 2.306 626 HE3 LYS 79 HE3 LYS 79 99.831 -5.575 1.874 627 HZ1 LYS 79 HZ1 LYS 79 100.227 -6.936 4.483 628 HZ2 LYS 79 HZ2 LYS 79 100.853 -5.417 4.049 629 HZ3 LYS 79 HZ3 LYS 79 101.386 -6.819 3.250 630 H MET 80 H MET 80 95.879 -1.831 1.074 631 HA MET 80 HA MET 80 94.271 -2.976 -0.968 632 HB2 MET 80 HB2 MET 80 92.378 -2.494 0.432 633 HB3 MET 80 HB1 MET 80 92.972 -0.868 0.771 634 HG2 MET 80 HG2 MET 80 92.578 -0.151 -1.474 635 HG3 MET 80 HG1 MET 80 92.334 -1.805 -2.034 636 HE1 MET 80 HE1 MET 80 90.336 1.380 -1.264 637 HE2 MET 80 HE2 MET 80 89.058 0.537 -2.130 638 HE3 MET 80 HE3 MET 80 90.711 0.479 -2.737 639 H ILE 81 H ILE 81 95.903 -2.339 -2.333 640 HA ILE 81 HA ILE 81 96.148 0.575 -2.791 641 HB ILE 81 HB ILE 81 98.339 -1.515 -2.811 642 HG12 ILE 81 HG12 ILE 81 99.373 0.269 -1.273 643 HG13 ILE 81 HG13 ILE 81 97.767 0.989 -1.204 644 HG21 ILE 81 HG21 ILE 81 99.760 0.524 -3.467 645 HG22 ILE 81 HG22 ILE 81 98.241 1.291 -3.928 646 HG23 ILE 81 HG23 ILE 81 98.764 -0.188 -4.735 647 HD11 ILE 81 HD11 ILE 81 98.746 -1.116 0.389 648 HD12 ILE 81 HD12 ILE 81 97.610 -1.873 -0.725 649 HD13 ILE 81 HD13 ILE 81 97.084 -0.540 0.301 650 H PHE 82 H PHE 82 94.937 0.803 -4.600 651 HA PHE 82 HA PHE 82 95.785 -0.723 -6.977 652 HB2 PHE 82 HB2 PHE 82 93.636 -1.653 -5.976 653 HB3 PHE 82 HB1 PHE 82 92.881 -0.119 -6.403 654 HD1 PHE 82 HD2 PHE 82 92.575 0.533 -8.752 655 HD2 PHE 82 HD1 PHE 82 94.375 -3.220 -7.691 656 HE1 PHE 82 HE2 PHE 82 92.291 -0.263 -11.083 657 HE2 PHE 82 HE1 PHE 82 94.092 -4.015 -10.022 658 HZ PHE 82 HZ PHE 82 93.050 -2.537 -11.719 659 H ALA 83 H ALA 83 93.302 1.737 -6.261 660 HA ALA 83 HA ALA 83 94.717 3.922 -7.362 661 HB1 ALA 83 HB1 ALA 83 92.608 2.832 -9.228 662 HB2 ALA 83 HB2 ALA 83 94.329 2.515 -9.445 663 HB3 ALA 83 HB3 ALA 83 93.720 4.169 -9.515 664 H GLY 84 H GLY 84 93.835 5.569 -6.296 665 HA2 GLY 84 HA2 GLY 84 91.260 5.417 -5.061 666 HA3 GLY 84 HA3 GLY 84 92.305 6.834 -5.116 667 H ILE 85 H ILE 85 89.725 7.391 -5.360 668 HA ILE 85 HA ILE 85 88.948 7.407 -8.179 669 HB ILE 85 HB ILE 85 87.590 8.421 -5.676 670 HG12 ILE 85 HG12 ILE 85 87.833 5.870 -6.350 671 HG13 ILE 85 HG13 ILE 85 86.289 6.489 -5.773 672 HG21 ILE 85 HG21 ILE 85 86.823 8.596 -8.587 673 HG22 ILE 85 HG22 ILE 85 86.805 9.869 -7.368 674 HG23 ILE 85 HG23 ILE 85 85.600 8.582 -7.317 675 HD11 ILE 85 HD11 ILE 85 86.294 5.054 -7.935 676 HD12 ILE 85 HD12 ILE 85 86.930 6.501 -8.716 677 HD13 ILE 85 HD13 ILE 85 85.354 6.545 -7.926 678 H LYS 86 H LYS 86 88.398 9.395 -9.286 679 HA LYS 86 HA LYS 86 90.294 11.534 -8.630 680 HB2 LYS 86 HB2 LYS 86 88.753 10.798 -11.113 681 HB3 LYS 86 HB3 LYS 86 89.583 12.347 -10.958 682 HG2 LYS 86 HG2 LYS 86 91.699 11.148 -10.467 683 HG3 LYS 86 HG3 LYS 86 90.862 9.610 -10.687 684 HD2 LYS 86 HD2 LYS 86 90.491 10.012 -12.996 685 HD3 LYS 86 HD3 LYS 86 90.869 11.729 -12.840 686 HE2 LYS 86 HE2 LYS 86 92.903 9.562 -12.272 687 HE3 LYS 86 HE3 LYS 86 92.702 10.280 -13.870 688 HZ1 LYS 86 HZ1 LYS 86 92.871 12.225 -11.768 689 HZ2 LYS 86 HZ2 LYS 86 93.722 12.138 -13.237 690 HZ3 LYS 86 HZ3 LYS 86 94.264 11.264 -11.885 691 H LYS 87 H LYS 87 87.048 11.644 -10.126 692 HA LYS 87 HA LYS 87 86.553 14.210 -8.883 693 HB2 LYS 87 HB2 LYS 87 84.482 12.626 -10.376 694 HB3 LYS 87 HB3 LYS 87 84.696 14.374 -10.286 695 HG2 LYS 87 HG2 LYS 87 86.982 13.930 -11.448 696 HG3 LYS 87 HG3 LYS 87 86.288 12.363 -11.868 697 HD2 LYS 87 HD2 LYS 87 85.059 15.061 -12.519 698 HD3 LYS 87 HD3 LYS 87 85.904 14.019 -13.663 699 HE2 LYS 87 HE2 LYS 87 83.796 13.240 -14.096 700 HE3 LYS 87 HE3 LYS 87 84.084 12.257 -12.662 701 HZ1 LYS 87 HZ1 LYS 87 82.425 14.638 -12.986 702 HZ2 LYS 87 HZ2 LYS 87 83.220 14.444 -11.499 703 HZ3 LYS 87 HZ3 LYS 87 82.152 13.245 -12.057 704 H LYS 88 H LYS 88 84.537 14.667 -7.710 705 HA LYS 88 HA LYS 88 84.233 12.884 -5.496 706 HB2 LYS 88 HB2 LYS 88 83.967 15.440 -5.491 707 HB3 LYS 88 HB3 LYS 88 82.360 15.153 -6.162 708 HG2 LYS 88 HG2 LYS 88 81.780 13.738 -4.241 709 HG3 LYS 88 HG3 LYS 88 83.402 13.943 -3.581 710 HD2 LYS 88 HD2 LYS 88 82.281 15.588 -2.394 711 HD3 LYS 88 HD3 LYS 88 82.800 16.527 -3.793 712 HE2 LYS 88 HE2 LYS 88 80.621 16.158 -4.869 713 HE3 LYS 88 HE3 LYS 88 80.100 15.172 -3.504 714 HZ1 LYS 88 HZ1 LYS 88 79.759 17.852 -3.738 715 HZ2 LYS 88 HZ2 LYS 88 81.115 17.738 -2.721 716 HZ3 LYS 88 HZ3 LYS 88 79.661 16.971 -2.292 717 H THR 89 H THR 89 82.112 13.829 -8.209 718 HA THR 89 HA THR 89 79.879 12.311 -7.527 719 HB THR 89 HB THR 89 79.384 12.250 -9.962 720 HG1 THR 89 HG1 THR 89 81.521 13.852 -10.570 721 HG21 THR 89 HG21 THR 89 79.327 14.723 -10.250 722 HG22 THR 89 HG22 THR 89 80.396 14.886 -8.856 723 HG23 THR 89 HG23 THR 89 78.775 14.221 -8.653 724 H GLU 90 H GLU 90 82.965 11.318 -8.813 725 HA GLU 90 HA GLU 90 82.150 8.730 -9.707 726 HB2 GLU 90 HB2 GLU 90 84.812 9.948 -8.981 727 HB3 GLU 90 HB3 GLU 90 84.667 8.239 -9.387 728 HG2 GLU 90 HG2 GLU 90 83.690 8.810 -11.554 729 HG3 GLU 90 HG3 GLU 90 83.744 10.524 -11.148 730 H ARG 91 H ARG 91 83.236 10.108 -6.669 731 HA ARG 91 HA ARG 91 83.413 7.576 -5.290 732 HB2 ARG 91 HB2 ARG 91 83.352 10.443 -4.306 733 HB3 ARG 91 HB3 ARG 91 83.557 9.045 -3.251 734 HG2 ARG 91 HG2 ARG 91 85.552 8.381 -4.621 735 HG3 ARG 91 HG3 ARG 91 85.384 9.891 -5.513 736 HD2 ARG 91 HD2 ARG 91 85.456 10.084 -2.538 737 HD3 ARG 91 HD3 ARG 91 86.964 9.688 -3.353 738 HE ARG 91 HE ARG 91 85.850 11.861 -4.710 739 HH11 ARG 91 HH21 ARG 91 87.046 11.047 -1.567 740 HH12 ARG 91 HH22 ARG 91 87.577 12.654 -1.201 741 HH21 ARG 91 HH11 ARG 91 86.544 13.972 -4.238 742 HH22 ARG 91 HH12 ARG 91 87.292 14.310 -2.713 743 H GLU 92 H GLU 92 81.130 10.311 -5.328 744 HA GLU 92 HA GLU 92 79.276 9.268 -3.492 745 HB2 GLU 92 HB2 GLU 92 79.286 11.618 -4.322 746 HB3 GLU 92 HB3 GLU 92 78.701 11.041 -5.882 747 HG2 GLU 92 HG2 GLU 92 76.700 10.098 -4.789 748 HG3 GLU 92 HG3 GLU 92 77.282 10.675 -3.227 749 H ASP 93 H ASP 93 79.245 9.154 -7.068 750 HA ASP 93 HA ASP 93 76.971 7.527 -7.331 751 HB2 ASP 93 HB2 ASP 93 79.410 7.705 -9.119 752 HB3 ASP 93 HB1 ASP 93 77.867 6.982 -9.572 753 H LEU 94 H LEU 94 80.423 6.643 -7.252 754 HA LEU 94 HA LEU 94 80.143 3.869 -7.453 755 HB2 LEU 94 HB2 LEU 94 82.328 4.942 -7.615 756 HB3 LEU 94 HB3 LEU 94 82.197 5.504 -5.952 757 HG LEU 94 HG LEU 94 82.267 3.246 -5.104 758 HD11 LEU 94 HD11 LEU 94 81.066 1.944 -6.637 759 HD12 LEU 94 HD12 LEU 94 82.724 1.410 -6.902 760 HD13 LEU 94 HD13 LEU 94 81.978 2.554 -8.017 761 HD21 LEU 94 HD21 LEU 94 84.403 3.143 -7.202 762 HD22 LEU 94 HD22 LEU 94 84.520 2.854 -5.469 763 HD23 LEU 94 HD23 LEU 94 84.403 4.502 -6.079 764 H ILE 95 H ILE 95 79.976 6.021 -4.683 765 HA ILE 95 HA ILE 95 79.762 3.906 -2.770 766 HB ILE 95 HB ILE 95 79.411 6.892 -2.623 767 HG12 ILE 95 HG12 ILE 95 81.372 5.091 -1.195 768 HG13 ILE 95 HG13 ILE 95 81.661 5.646 -2.841 769 HG21 ILE 95 HG21 ILE 95 78.705 4.758 -0.640 770 HG22 ILE 95 HG22 ILE 95 77.945 6.325 -0.914 771 HG23 ILE 95 HG23 ILE 95 79.470 6.228 -0.035 772 HD11 ILE 95 HD11 ILE 95 80.979 7.602 -0.660 773 HD12 ILE 95 HD12 ILE 95 81.790 7.899 -2.197 774 HD13 ILE 95 HD13 ILE 95 82.637 7.060 -0.903 775 H ALA 96 H ALA 96 77.552 5.768 -4.695 776 HA ALA 96 HA ALA 96 75.200 5.276 -3.171 777 HB1 ALA 96 HB1 ALA 96 75.479 7.025 -4.979 778 HB2 ALA 96 HB2 ALA 96 74.003 6.067 -5.087 779 HB3 ALA 96 HB3 ALA 96 75.362 5.717 -6.156 780 H TYR 97 H TYR 97 76.919 3.552 -5.707 781 HA TYR 97 HA TYR 97 74.891 1.542 -6.061 782 HB2 TYR 97 HB2 TYR 97 76.339 1.826 -7.919 783 HB3 TYR 97 HB3 TYR 97 77.782 1.765 -6.906 784 HD1 TYR 97 HD1 TYR 97 74.944 -0.264 -8.211 785 HD2 TYR 97 HD2 TYR 97 78.799 -0.311 -6.318 786 HE1 TYR 97 HE1 TYR 97 75.065 -2.720 -8.518 787 HE2 TYR 97 HE2 TYR 97 78.920 -2.769 -6.628 788 HH TYR 97 HH TYR 97 76.649 -4.485 -8.601 789 H LEU 98 H LEU 98 77.772 1.977 -4.102 790 HA LEU 98 HA LEU 98 78.091 -0.641 -3.145 791 HB2 LEU 98 HB2 LEU 98 78.747 2.075 -2.042 792 HB3 LEU 98 HB3 LEU 98 79.014 0.637 -1.065 793 HG LEU 98 HG LEU 98 80.083 0.866 -3.885 794 HD11 LEU 98 HD11 LEU 98 80.976 2.254 -1.470 795 HD12 LEU 98 HD12 LEU 98 81.487 2.469 -3.142 796 HD13 LEU 98 HD13 LEU 98 82.233 1.221 -2.151 797 HD21 LEU 98 HD21 LEU 98 80.474 -0.951 -1.522 798 HD22 LEU 98 HD22 LEU 98 81.803 -0.727 -2.658 799 HD23 LEU 98 HD23 LEU 98 80.260 -1.361 -3.221 800 H LYS 99 H LYS 99 76.197 2.092 -1.883 801 HA LYS 99 HA LYS 99 75.200 0.861 0.423 802 HB2 LYS 99 HB2 LYS 99 74.175 3.078 -1.333 803 HB3 LYS 99 HB3 LYS 99 73.238 2.516 0.050 804 HG2 LYS 99 HG2 LYS 99 75.383 2.847 1.434 805 HG3 LYS 99 HG3 LYS 99 76.002 3.747 0.050 806 HD2 LYS 99 HD2 LYS 99 73.303 4.424 1.215 807 HD3 LYS 99 HD3 LYS 99 74.775 5.047 1.958 808 HE2 LYS 99 HE2 LYS 99 74.304 5.339 -1.006 809 HE3 LYS 99 HE3 LYS 99 73.631 6.498 0.139 810 HZ1 LYS 99 HZ1 LYS 99 75.955 6.919 -0.844 811 HZ2 LYS 99 HZ2 LYS 99 76.477 5.755 0.279 812 HZ3 LYS 99 HZ3 LYS 99 75.713 7.174 0.815 813 H LYS 100 H LYS 100 73.614 1.187 -2.763 814 HA LYS 100 HA LYS 100 71.413 -0.483 -2.053 815 HB2 LYS 100 HB2 LYS 100 72.443 0.312 -4.786 816 HB3 LYS 100 HB3 LYS 100 70.866 -0.404 -4.450 817 HG2 LYS 100 HG2 LYS 100 70.412 1.539 -2.899 818 HG3 LYS 100 HG3 LYS 100 71.898 2.280 -3.496 819 HD2 LYS 100 HD2 LYS 100 70.977 2.094 -5.827 820 HD3 LYS 100 HD3 LYS 100 69.453 1.546 -5.129 821 HE2 LYS 100 HE2 LYS 100 69.470 3.677 -3.733 822 HE3 LYS 100 HE3 LYS 100 70.800 4.229 -4.752 823 HZ1 LYS 100 HZ1 LYS 100 69.082 5.034 -5.955 824 HZ2 LYS 100 HZ2 LYS 100 67.981 3.864 -5.403 825 HZ3 LYS 100 HZ3 LYS 100 69.102 3.472 -6.617 826 H ALA 101 H ALA 101 74.600 -1.118 -3.276 827 HA ALA 101 HA ALA 101 73.940 -3.796 -4.201 828 HB1 ALA 101 HB1 ALA 101 76.605 -2.391 -3.923 829 HB2 ALA 101 HB2 ALA 101 75.638 -2.500 -5.395 830 HB3 ALA 101 HB3 ALA 101 76.348 -3.955 -4.696 831 H THR 102 H THR 102 75.076 -2.277 -1.305 832 HA THR 102 HA THR 102 75.999 -4.839 -0.193 833 HB THR 102 HB THR 102 76.735 -3.421 1.733 834 HG1 THR 102 HG1 THR 102 75.308 -1.595 0.268 835 HG21 THR 102 HG21 THR 102 77.666 -2.830 -1.075 836 HG22 THR 102 HG22 THR 102 78.400 -3.895 0.121 837 HG23 THR 102 HG23 THR 102 78.477 -2.147 0.334 838 H ASN 103 H ASN 103 73.159 -3.373 -0.613 839 HA ASN 103 HA ASN 103 72.089 -3.998 2.067 840 HB2 ASN 103 HB2 ASN 103 71.129 -2.277 -0.207 841 HB3 ASN 103 HB1 ASN 103 70.033 -2.799 1.067 842 HD21 ASN 103 HD21 ASN 103 73.426 -2.216 1.796 843 HD22 ASN 103 HD22 ASN 103 73.173 -0.796 2.687 844 H GLU 104 H GLU 104 72.118 -4.995 -1.240 845 HA GLU 104 HA GLU 104 70.389 -7.269 -0.566 846 HB2 GLU 104 HB2 GLU 104 68.963 -6.985 -2.468 847 HB3 GLU 104 HB3 GLU 104 68.976 -5.449 -1.604 848 HG2 GLU 104 HG2 GLU 104 69.339 -4.717 -3.782 849 HG3 GLU 104 HG3 GLU 104 70.997 -4.903 -3.216 850 HHA HEC 201 HA HEC 105 89.234 -3.422 3.277 851 HHB HEC 201 HB HEC 105 85.401 -0.027 -0.434 852 HHC HEC 201 HC HEC 105 88.820 -1.729 -5.481 853 HHD HEC 201 HD HEC 105 92.170 -5.679 -1.855 854 HMA1 HEC 201 HMA1 HEC 105 85.595 0.848 2.414 855 HMA2 HEC 201 HMA2 HEC 105 84.886 -0.536 3.244 856 HMA3 HEC 201 HMA3 HEC 105 84.475 -0.214 1.563 857 HAA1 HEC 201 HAA1 HEC 105 86.671 -0.945 4.521 858 HAA2 HEC 201 HAA2 HEC 105 88.238 -1.729 4.507 859 HBA1 HEC 201 HBA1 HEC 105 87.222 -3.911 4.433 860 HBA2 HEC 201 HBA2 HEC 105 85.620 -3.210 4.222 861 HMB1 HEC 201 HMB1 HEC 105 83.994 -0.005 -2.975 862 HMB2 HEC 201 HMB2 HEC 105 84.792 1.239 -3.927 863 HMB3 HEC 201 HMB3 HEC 105 84.842 1.313 -2.170 864 HAB HEC 201 HAB HEC 105 87.316 -0.556 -6.171 865 HBB1 HEC 201 HBB1 HEC 105 86.377 1.863 -6.524 866 HBB2 HEC 201 HBB2 HEC 105 86.615 2.015 -4.785 867 HBB3 HEC 201 HBB3 HEC 105 87.983 1.652 -5.830 868 HMC1 HEC 201 HMC1 HEC 105 91.302 -2.452 -6.528 869 HMC2 HEC 201 HMC2 HEC 105 89.818 -3.355 -6.815 870 HMC3 HEC 201 HMC3 HEC 105 91.366 -4.195 -6.782 871 HAC HEC 201 HAC HEC 105 92.626 -6.117 -3.784 872 HBC1 HEC 201 HBC1 HEC 105 94.375 -5.343 -4.983 873 HBC2 HEC 201 HBC2 HEC 105 93.441 -3.899 -5.371 874 HBC3 HEC 201 HBC3 HEC 105 93.387 -5.299 -6.442 875 HMD1 HEC 201 HMD1 HEC 105 93.108 -6.533 1.705 876 HMD2 HEC 201 HMD2 HEC 105 93.444 -6.121 0.026 877 HMD3 HEC 201 HMD3 HEC 105 92.264 -7.375 0.408 878 HAD1 HEC 201 HAD1 HEC 105 91.602 -6.301 3.320 879 HAD2 HEC 201 HAD2 HEC 105 90.339 -5.213 3.849 880 HBD1 HEC 201 HBD1 HEC 105 92.614 -3.602 3.244 881 HBD2 HEC 201 HBD2 HEC 105 93.178 -4.966 4.205 882 H1 HOH 301 H2 HOH 200 83.202 2.077 -0.670 883 H2 HOH 301 H1 HOH 200 82.318 3.273 -0.390 884 H1 HOH 302 H2 HOH 201 85.066 5.290 6.987 885 H2 HOH 302 H1 HOH 201 85.535 4.990 5.578 886 H1 HOH 303 H2 HOH 202 82.001 -6.781 5.473 887 H2 HOH 303 H1 HOH 202 81.495 -5.499 6.101 888 H1 HOH 304 H2 HOH 203 81.625 -9.475 -0.065 889 H2 HOH 304 H1 HOH 203 80.754 -10.699 0.131 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 72.895 8.687 -5.243 2 H2 GLY 1 H2 GLY 1 72.499 10.230 -5.835 3 H3 GLY 1 H3 GLY 1 73.721 10.051 -4.667 4 HA2 GLY 1 HA2 GLY 1 74.588 10.441 -6.934 5 HA3 GLY 1 HA3 GLY 1 75.144 8.936 -6.203 6 H ASP 2 H ASP 2 75.454 8.587 -8.657 7 HA ASP 2 HA ASP 2 72.974 7.673 -9.963 8 HB2 ASP 2 HB2 ASP 2 75.765 8.154 -11.017 9 HB3 ASP 2 HB1 ASP 2 74.458 7.461 -11.974 10 H VAL 3 H VAL 3 72.717 5.790 -8.673 11 HA VAL 3 HA VAL 3 74.538 3.802 -8.134 12 HB VAL 3 HB VAL 3 72.292 3.690 -7.259 13 HG11 VAL 3 HG11 VAL 3 71.094 4.733 -9.105 14 HG12 VAL 3 HG12 VAL 3 70.385 3.151 -8.785 15 HG13 VAL 3 HG13 VAL 3 71.467 3.369 -10.160 16 HG21 VAL 3 HG21 VAL 3 72.543 1.386 -9.205 17 HG22 VAL 3 HG22 VAL 3 71.839 1.368 -7.589 18 HG23 VAL 3 HG23 VAL 3 73.579 1.543 -7.788 19 H GLU 4 H GLU 4 73.317 4.794 -11.191 20 HA GLU 4 HA GLU 4 73.768 2.323 -12.587 21 HB2 GLU 4 HB2 GLU 4 73.517 5.154 -13.630 22 HB3 GLU 4 HB3 GLU 4 73.488 3.695 -14.620 23 HG2 GLU 4 HG2 GLU 4 71.526 2.896 -13.267 24 HG3 GLU 4 HG3 GLU 4 71.505 4.464 -12.464 25 H LYS 5 H LYS 5 75.491 5.457 -12.677 26 HA LYS 5 HA LYS 5 77.751 4.337 -14.034 27 HB2 LYS 5 HB2 LYS 5 77.285 6.966 -12.618 28 HB3 LYS 5 HB3 LYS 5 78.818 6.558 -13.387 29 HG2 LYS 5 HG2 LYS 5 77.736 6.288 -15.540 30 HG3 LYS 5 HG3 LYS 5 76.145 6.501 -14.813 31 HD2 LYS 5 HD2 LYS 5 78.315 8.613 -14.707 32 HD3 LYS 5 HD3 LYS 5 77.077 8.564 -15.961 33 HE2 LYS 5 HE2 LYS 5 75.428 8.438 -13.889 34 HE3 LYS 5 HE3 LYS 5 76.788 9.172 -13.038 35 HZ1 LYS 5 HZ1 LYS 5 75.130 10.729 -14.111 36 HZ2 LYS 5 HZ2 LYS 5 75.783 10.247 -15.602 37 HZ3 LYS 5 HZ3 LYS 5 76.768 11.014 -14.449 38 H GLY 6 H GLY 6 76.714 4.464 -10.782 39 HA2 GLY 6 HA2 GLY 6 79.279 4.307 -9.516 40 HA3 GLY 6 HA3 GLY 6 77.729 3.884 -8.785 41 H LYS 7 H LYS 7 76.904 2.039 -10.761 42 HA LYS 7 HA LYS 7 78.139 -0.341 -9.817 43 HB2 LYS 7 HB2 LYS 7 75.779 -0.217 -10.591 44 HB3 LYS 7 HB3 LYS 7 76.356 0.053 -12.235 45 HG2 LYS 7 HG2 LYS 7 77.591 -2.123 -12.108 46 HG3 LYS 7 HG3 LYS 7 76.867 -2.399 -10.526 47 HD2 LYS 7 HD2 LYS 7 75.335 -3.515 -11.861 48 HD3 LYS 7 HD3 LYS 7 74.608 -1.908 -11.848 49 HE2 LYS 7 HE2 LYS 7 76.087 -1.477 -13.952 50 HE3 LYS 7 HE3 LYS 7 76.214 -3.235 -14.027 51 HZ1 LYS 7 HZ1 LYS 7 73.782 -3.347 -14.001 52 HZ2 LYS 7 HZ2 LYS 7 74.364 -2.484 -15.345 53 HZ3 LYS 7 HZ3 LYS 7 73.701 -1.653 -14.019 54 H LYS 8 H LYS 8 78.362 1.529 -12.832 55 HA LYS 8 HA LYS 8 79.995 -0.243 -14.277 56 HB2 LYS 8 HB2 LYS 8 78.928 1.640 -15.359 57 HB3 LYS 8 HB3 LYS 8 79.831 2.776 -14.359 58 HG2 LYS 8 HG2 LYS 8 81.525 0.839 -15.816 59 HG3 LYS 8 HG3 LYS 8 80.621 1.933 -16.859 60 HD2 LYS 8 HD2 LYS 8 82.149 2.990 -14.483 61 HD3 LYS 8 HD3 LYS 8 82.963 2.692 -16.018 62 HE2 LYS 8 HE2 LYS 8 81.807 4.374 -17.119 63 HE3 LYS 8 HE3 LYS 8 80.404 4.253 -16.056 64 HZ1 LYS 8 HZ1 LYS 8 83.029 5.222 -15.095 65 HZ2 LYS 8 HZ2 LYS 8 81.509 5.393 -14.357 66 HZ3 LYS 8 HZ3 LYS 8 81.875 6.267 -15.767 67 H ILE 9 H ILE 9 80.881 2.469 -12.149 68 HA ILE 9 HA ILE 9 83.685 2.164 -12.445 69 HB ILE 9 HB ILE 9 82.092 3.400 -10.190 70 HG12 ILE 9 HG12 ILE 9 83.486 4.784 -12.492 71 HG13 ILE 9 HG13 ILE 9 81.793 4.295 -12.580 72 HG21 ILE 9 HG21 ILE 9 84.244 4.677 -9.847 73 HG22 ILE 9 HG22 ILE 9 85.015 3.555 -10.967 74 HG23 ILE 9 HG23 ILE 9 84.345 2.963 -9.449 75 HD11 ILE 9 HD11 ILE 9 82.140 6.674 -11.811 76 HD12 ILE 9 HD12 ILE 9 82.920 6.030 -10.367 77 HD13 ILE 9 HD13 ILE 9 81.221 5.677 -10.683 78 H PHE 10 H PHE 10 81.327 0.494 -10.557 79 HA PHE 10 HA PHE 10 83.213 -0.518 -8.612 80 HB2 PHE 10 HB2 PHE 10 81.093 -0.389 -7.686 81 HB3 PHE 10 HB1 PHE 10 80.298 -0.906 -9.172 82 HD1 PHE 10 HD1 PHE 10 80.230 -3.275 -9.813 83 HD2 PHE 10 HD2 PHE 10 82.031 -2.008 -6.131 84 HE1 PHE 10 HE1 PHE 10 80.239 -5.621 -9.017 85 HE2 PHE 10 HE2 PHE 10 82.044 -4.358 -5.331 86 HZ PHE 10 HZ PHE 10 81.148 -6.164 -6.778 87 H VAL 11 H VAL 11 81.327 -2.001 -11.268 88 HA VAL 11 HA VAL 11 82.330 -4.586 -11.062 89 HB VAL 11 HB VAL 11 81.733 -4.832 -13.459 90 HG11 VAL 11 HG11 VAL 11 79.400 -4.530 -13.130 91 HG12 VAL 11 HG12 VAL 11 79.653 -3.182 -12.024 92 HG13 VAL 11 HG13 VAL 11 80.057 -4.822 -11.521 93 HG21 VAL 11 HG21 VAL 11 82.485 -2.602 -14.203 94 HG22 VAL 11 HG22 VAL 11 81.207 -1.856 -13.247 95 HG23 VAL 11 HG23 VAL 11 80.795 -2.868 -14.629 96 H GLN 12 H GLN 12 83.759 -1.745 -12.511 97 HA GLN 12 HA GLN 12 85.920 -3.357 -13.669 98 HB2 GLN 12 HB2 GLN 12 86.593 -1.358 -14.807 99 HB3 GLN 12 HB1 GLN 12 84.844 -1.521 -14.966 100 HG2 GLN 12 HG2 GLN 12 84.619 0.002 -12.951 101 HG3 GLN 12 HG1 GLN 12 86.353 0.301 -13.077 102 HE21 GLN 12 HE21 GLN 12 85.533 -0.199 -16.198 103 HE22 GLN 12 HE22 GLN 12 85.141 1.382 -16.668 104 H LYS 13 H LYS 13 85.353 -1.228 -10.943 105 HA LYS 13 HA LYS 13 88.252 -1.073 -10.457 106 HB2 LYS 13 HB2 LYS 13 86.655 0.957 -10.418 107 HB3 LYS 13 HB3 LYS 13 86.189 0.366 -8.822 108 HG2 LYS 13 HG2 LYS 13 88.451 0.532 -8.016 109 HG3 LYS 13 HG3 LYS 13 89.069 0.845 -9.635 110 HD2 LYS 13 HD2 LYS 13 86.984 2.695 -8.532 111 HD3 LYS 13 HD3 LYS 13 88.638 2.847 -7.941 112 HE2 LYS 13 HE2 LYS 13 89.457 3.099 -10.244 113 HE3 LYS 13 HE3 LYS 13 87.818 2.903 -10.861 114 HZ1 LYS 13 HZ1 LYS 13 88.627 5.253 -10.602 115 HZ2 LYS 13 HZ2 LYS 13 88.552 5.017 -8.922 116 HZ3 LYS 13 HZ3 LYS 13 87.142 4.903 -9.862 117 H CYS 14 H CYS 14 85.410 -1.495 -8.286 118 HA CYS 14 HA CYS 14 87.109 -2.760 -6.329 119 HB2 CYS 14 HB2 CYS 14 84.137 -2.715 -6.097 120 HB3 CYS 14 HB1 CYS 14 85.351 -2.549 -4.835 121 H ALA 15 H ALA 15 84.622 -3.959 -8.552 122 HA ALA 15 HA ALA 15 84.120 -6.435 -7.477 123 HB1 ALA 15 HB1 ALA 15 84.137 -7.179 -10.011 124 HB2 ALA 15 HB2 ALA 15 84.328 -5.449 -10.289 125 HB3 ALA 15 HB3 ALA 15 82.920 -6.050 -9.415 126 H GLN 16 H GLN 16 87.067 -5.286 -8.918 127 HA GLN 16 HA GLN 16 88.394 -7.567 -9.669 128 HB2 GLN 16 HB2 GLN 16 89.383 -5.093 -8.264 129 HB3 GLN 16 HB1 GLN 16 90.480 -6.374 -8.779 130 HG2 GLN 16 HG2 GLN 16 89.752 -6.136 -11.087 131 HG3 GLN 16 HG1 GLN 16 88.525 -4.962 -10.615 132 HE21 GLN 16 HE21 GLN 16 89.718 -3.482 -12.181 133 HE22 GLN 16 HE22 GLN 16 91.091 -2.659 -11.618 134 H CYS 17 H CYS 17 88.588 -6.173 -6.362 135 HA CYS 17 HA CYS 17 89.024 -8.929 -5.362 136 HB2 CYS 17 HB2 CYS 17 90.211 -6.732 -3.779 137 HB3 CYS 17 HB1 CYS 17 90.866 -8.315 -4.178 138 H HIS 18 H HSD 18 86.452 -8.102 -5.415 139 HA HIS 18 HA HSD 18 85.829 -7.958 -2.582 140 HB2 HIS 18 HB2 HSD 18 85.256 -5.675 -4.443 141 HB3 HIS 18 HB1 HSD 18 84.155 -6.020 -3.113 142 HD1 HIS 18 HD1 HSD 18 85.105 -5.784 -0.676 143 HD2 HIS 18 HD2 HSD 18 87.746 -4.602 -3.670 144 HE1 HIS 18 HE1 HSD 18 86.957 -4.491 0.473 145 H THR 19 H THR 19 83.231 -7.613 -2.491 146 HA THR 19 HA THR 19 81.963 -9.248 -4.584 147 HB THR 19 HB THR 19 80.908 -10.100 -2.070 148 HG1 THR 19 HG1 THR 19 83.205 -11.118 -1.665 149 HG21 THR 19 HG21 THR 19 81.043 -11.357 -4.245 150 HG22 THR 19 HG22 THR 19 81.592 -12.284 -2.849 151 HG23 THR 19 HG23 THR 19 82.769 -11.572 -3.952 152 H VAL 20 H VAL 20 81.618 -7.215 -1.719 153 HA VAL 20 HA VAL 20 79.840 -5.971 -0.932 154 HB VAL 20 HB VAL 20 79.203 -4.220 -2.444 155 HG11 VAL 20 HG11 VAL 20 82.018 -5.178 -3.034 156 HG12 VAL 20 HG12 VAL 20 81.531 -4.196 -1.654 157 HG13 VAL 20 HG13 VAL 20 81.427 -3.537 -3.284 158 HG21 VAL 20 HG21 VAL 20 78.663 -5.799 -4.354 159 HG22 VAL 20 HG22 VAL 20 80.392 -5.867 -4.683 160 HG23 VAL 20 HG23 VAL 20 79.529 -4.339 -4.820 161 H GLU 21 H GLU 21 79.115 -8.709 -2.006 162 HA GLU 21 HA GLU 21 76.259 -8.134 -2.551 163 HB2 GLU 21 HB2 GLU 21 76.115 -10.087 -3.886 164 HB3 GLU 21 HB3 GLU 21 77.594 -9.278 -4.400 165 HG2 GLU 21 HG2 GLU 21 78.739 -10.789 -2.590 166 HG3 GLU 21 HG3 GLU 21 77.278 -11.765 -2.743 167 H LYS 22 H LYS 22 75.082 -8.461 -0.806 168 HA LYS 22 HA LYS 22 75.766 -9.629 1.563 169 HB2 LYS 22 HB2 LYS 22 73.576 -8.399 0.812 170 HB3 LYS 22 HB3 LYS 22 72.977 -10.030 0.518 171 HG2 LYS 22 HG2 LYS 22 72.357 -9.775 2.738 172 HG3 LYS 22 HG3 LYS 22 73.965 -10.468 2.952 173 HD2 LYS 22 HD2 LYS 22 74.907 -8.181 3.156 174 HD3 LYS 22 HD3 LYS 22 73.283 -7.511 2.992 175 HE2 LYS 22 HE2 LYS 22 74.022 -9.510 5.140 176 HE3 LYS 22 HE3 LYS 22 74.119 -7.766 5.383 177 HZ1 LYS 22 HZ1 LYS 22 71.662 -8.084 4.314 178 HZ2 LYS 22 HZ2 LYS 22 71.990 -7.945 5.975 179 HZ3 LYS 22 HZ3 LYS 22 71.807 -9.479 5.268 180 H GLY 23 H GLY 23 75.656 -11.649 2.500 181 HA2 GLY 23 HA2 GLY 23 75.868 -13.938 2.588 182 HA3 GLY 23 HA3 GLY 23 74.510 -13.964 1.467 183 H GLY 24 H GLY 24 77.521 -12.403 0.623 184 HA2 GLY 24 HA2 GLY 24 77.848 -14.240 -1.616 185 HA3 GLY 24 HA3 GLY 24 78.745 -12.751 -1.339 186 H LYS 25 H LYS 25 80.777 -13.568 -1.585 187 HA LYS 25 HA LYS 25 81.815 -15.111 0.657 188 HB2 LYS 25 HB2 LYS 25 83.055 -16.615 -1.039 189 HB3 LYS 25 HB3 LYS 25 81.361 -16.972 -0.706 190 HG2 LYS 25 HG2 LYS 25 80.701 -15.683 -2.717 191 HG3 LYS 25 HG3 LYS 25 82.402 -15.369 -3.061 192 HD2 LYS 25 HD2 LYS 25 82.821 -17.787 -3.256 193 HD3 LYS 25 HD3 LYS 25 81.127 -18.115 -2.890 194 HE2 LYS 25 HE2 LYS 25 80.524 -16.688 -4.897 195 HE3 LYS 25 HE3 LYS 25 82.238 -16.676 -5.311 196 HZ1 LYS 25 HZ1 LYS 25 80.490 -18.556 -6.101 197 HZ2 LYS 25 HZ2 LYS 25 81.167 -19.290 -4.726 198 HZ3 LYS 25 HZ3 LYS 25 82.168 -18.785 -6.002 199 H HIS 26 H HIS 26 83.530 -13.999 1.318 200 HA HIS 26 HA HIS 26 84.759 -11.918 -0.052 201 HB2 HIS 26 HB2 HIS 26 86.724 -12.446 1.571 202 HB3 HIS 26 HB1 HIS 26 85.171 -11.958 2.247 203 HD1 HIS 26 HD1 HIS 26 83.586 -13.972 3.083 204 HD2 HIS 26 HD2 HIS 26 87.562 -14.989 2.348 205 HE1 HIS 26 HE1 HIS 26 83.974 -16.207 4.209 206 HE2 HIS 26 HE2 HIS 26 86.393 -16.841 3.771 207 H LYS 27 H LYS 27 86.070 -11.845 -1.727 208 HA LYS 27 HA LYS 27 87.786 -14.179 -2.333 209 HB2 LYS 27 HB2 LYS 27 85.873 -14.147 -3.886 210 HB3 LYS 27 HB3 LYS 27 86.262 -12.484 -4.330 211 HG2 LYS 27 HG2 LYS 27 88.350 -13.133 -5.303 212 HG3 LYS 27 HG3 LYS 27 88.242 -14.753 -4.615 213 HD2 LYS 27 HD2 LYS 27 87.639 -14.818 -6.990 214 HD3 LYS 27 HD3 LYS 27 86.225 -15.184 -6.001 215 HE2 LYS 27 HE2 LYS 27 85.270 -13.058 -6.364 216 HE3 LYS 27 HE3 LYS 27 86.802 -12.361 -6.891 217 HZ1 LYS 27 HZ1 LYS 27 85.545 -14.570 -8.389 218 HZ2 LYS 27 HZ2 LYS 27 86.684 -13.430 -8.927 219 HZ3 LYS 27 HZ3 LYS 27 85.073 -12.963 -8.656 220 H THR 28 H THR 28 89.676 -13.295 -1.585 221 HA THR 28 HA THR 28 91.595 -12.031 -1.668 222 HB THR 28 HB THR 28 90.565 -10.622 -4.115 223 HG1 THR 28 HG1 THR 28 91.859 -13.073 -4.357 224 HG21 THR 28 HG21 THR 28 92.781 -10.039 -3.160 225 HG22 THR 28 HG22 THR 28 92.924 -10.758 -4.763 226 HG23 THR 28 HG23 THR 28 93.277 -11.723 -3.330 227 H GLY 29 H GLY 29 89.073 -11.145 -0.394 228 HA2 GLY 29 HA2 GLY 29 89.837 -8.745 0.716 229 HA3 GLY 29 HA3 GLY 29 88.842 -8.307 -0.669 230 HA PRO 30 HA PRO 30 86.224 -9.713 3.066 231 HB2 PRO 30 HB2 PRO 30 85.714 -7.359 4.326 232 HB3 PRO 30 HB1 PRO 30 87.138 -8.350 4.701 233 HG2 PRO 30 HG2 PRO 30 86.929 -5.908 3.002 234 HG3 PRO 30 HG1 PRO 30 88.185 -6.369 4.163 235 HD2 PRO 30 HD2 PRO 30 88.457 -6.687 1.443 236 HD3 PRO 30 HD1 PRO 30 89.292 -7.704 2.637 237 H ASN 31 H ASN 31 83.923 -9.039 3.503 238 HA ASN 31 HA ASN 31 82.702 -8.016 1.026 239 HB2 ASN 31 HB2 ASN 31 80.665 -9.059 1.796 240 HB3 ASN 31 HB1 ASN 31 81.976 -10.227 1.954 241 HD21 ASN 31 HD21 ASN 31 82.446 -11.019 4.051 242 HD22 ASN 31 HD22 ASN 31 81.656 -10.481 5.454 243 H LEU 32 H LEU 32 81.942 -6.026 0.947 244 HA LEU 32 HA LEU 32 81.914 -4.348 3.288 245 HB2 LEU 32 HB2 LEU 32 80.833 -3.604 0.575 246 HB3 LEU 32 HB3 LEU 32 81.503 -2.547 1.815 247 HG LEU 32 HG LEU 32 82.981 -4.522 0.061 248 HD11 LEU 32 HD11 LEU 32 82.886 -2.464 -1.052 249 HD12 LEU 32 HD12 LEU 32 84.402 -2.328 -0.168 250 HD13 LEU 32 HD13 LEU 32 82.953 -1.534 0.443 251 HD21 LEU 32 HD21 LEU 32 83.968 -4.896 2.181 252 HD22 LEU 32 HD22 LEU 32 83.822 -3.202 2.641 253 HD23 LEU 32 HD23 LEU 32 85.004 -3.684 1.430 254 H HIS 33 H HIS 33 80.036 -6.560 3.359 255 HA HIS 33 HA HIS 33 77.389 -5.757 2.792 256 HB2 HIS 33 HB2 HIS 33 78.414 -7.610 4.958 257 HB3 HIS 33 HB1 HIS 33 76.733 -7.481 4.443 258 HD1 HIS 33 HD1 HIS 33 78.146 -10.169 4.108 259 HD2 HIS 33 HD2 HIS 33 78.099 -7.247 1.136 260 HE1 HIS 33 HE1 HIS 33 78.571 -11.368 1.920 261 HE2 HIS 33 HE2 HIS 33 78.541 -9.602 0.097 262 H GLY 34 H GLY 34 75.867 -4.632 3.985 263 HA2 GLY 34 HA2 GLY 34 75.295 -2.805 5.333 264 HA3 GLY 34 HA3 GLY 34 75.645 -3.994 6.585 265 H LEU 35 H LEU 35 78.066 -2.747 4.409 266 HA LEU 35 HA LEU 35 80.011 -2.186 6.262 267 HB2 LEU 35 HB2 LEU 35 80.459 -2.240 3.883 268 HB3 LEU 35 HB3 LEU 35 79.433 -0.835 3.617 269 HG LEU 35 HG LEU 35 81.153 0.200 5.444 270 HD11 LEU 35 HD11 LEU 35 82.939 -1.548 3.769 271 HD12 LEU 35 HD12 LEU 35 82.369 -2.084 5.348 272 HD13 LEU 35 HD13 LEU 35 83.349 -0.624 5.211 273 HD21 LEU 35 HD21 LEU 35 80.577 1.070 3.164 274 HD22 LEU 35 HD22 LEU 35 81.785 -0.025 2.491 275 HD23 LEU 35 HD23 LEU 35 82.278 1.271 3.582 276 H PHE 36 H PHE 36 77.868 0.255 4.787 277 HA PHE 36 HA PHE 36 78.675 2.444 6.269 278 HB2 PHE 36 HB2 PHE 36 75.822 1.931 5.412 279 HB3 PHE 36 HB1 PHE 36 76.615 3.491 5.630 280 HD1 PHE 36 HD2 PHE 36 76.586 0.399 3.557 281 HD2 PHE 36 HD1 PHE 36 77.978 4.450 3.908 282 HE1 PHE 36 HE2 PHE 36 77.391 0.327 1.216 283 HE2 PHE 36 HE1 PHE 36 78.770 4.379 1.571 284 HZ PHE 36 HZ PHE 36 78.483 2.319 0.220 285 H GLY 37 H GLY 37 79.055 1.996 8.453 286 HA2 GLY 37 HA2 GLY 37 77.562 2.702 10.443 287 HA3 GLY 37 HA3 GLY 37 76.717 1.209 10.075 288 H ARG 38 H ARG 38 79.320 -0.146 9.366 289 HA ARG 38 HA ARG 38 79.970 -0.919 12.107 290 HB2 ARG 38 HB2 ARG 38 80.277 -2.113 9.419 291 HB3 ARG 38 HB3 ARG 38 81.561 -2.490 10.566 292 HG2 ARG 38 HG2 ARG 38 79.691 -3.092 12.223 293 HG3 ARG 38 HG3 ARG 38 78.601 -3.042 10.839 294 HD2 ARG 38 HD2 ARG 38 81.085 -4.626 10.463 295 HD3 ARG 38 HD3 ARG 38 79.929 -5.281 11.613 296 HE ARG 38 HE ARG 38 78.245 -5.102 9.753 297 HH11 ARG 38 HH21 ARG 38 81.657 -5.294 9.069 298 HH12 ARG 38 HH22 ARG 38 81.427 -5.991 7.502 299 HH21 ARG 38 HH11 ARG 38 77.971 -6.021 7.713 300 HH22 ARG 38 HH12 ARG 38 79.352 -6.405 6.739 301 H LYS 39 H LYS 39 82.020 -0.912 13.020 302 HA LYS 39 HA LYS 39 83.670 1.318 12.384 303 HB2 LYS 39 HB2 LYS 39 83.846 -0.959 14.329 304 HB3 LYS 39 HB3 LYS 39 85.230 0.107 14.095 305 HG2 LYS 39 HG2 LYS 39 82.534 1.347 14.537 306 HG3 LYS 39 HG3 LYS 39 83.381 0.663 15.924 307 HD2 LYS 39 HD2 LYS 39 85.367 2.050 15.383 308 HD3 LYS 39 HD3 LYS 39 84.488 2.758 14.029 309 HE2 LYS 39 HE2 LYS 39 84.024 4.349 15.638 310 HE3 LYS 39 HE3 LYS 39 82.682 3.246 15.944 311 HZ1 LYS 39 HZ1 LYS 39 84.848 3.931 17.635 312 HZ2 LYS 39 HZ2 LYS 39 84.829 2.254 17.367 313 HZ3 LYS 39 HZ3 LYS 39 83.456 3.032 17.994 314 H THR 40 H THR 40 86.094 1.076 12.109 315 HA THR 40 HA THR 40 86.634 -0.296 9.697 316 HB THR 40 HB THR 40 89.044 0.323 10.240 317 HG1 THR 40 HG1 THR 40 87.792 1.749 12.333 318 HG21 THR 40 HG21 THR 40 88.560 2.775 9.996 319 HG22 THR 40 HG22 THR 40 86.854 2.411 10.253 320 HG23 THR 40 HG23 THR 40 87.692 1.759 8.845 321 H GLY 41 H GLY 41 87.865 -2.095 9.244 322 HA2 GLY 41 HA2 GLY 41 88.430 -4.306 9.561 323 HA3 GLY 41 HA3 GLY 41 89.416 -3.656 10.868 324 H GLN 42 H GLN 42 85.908 -4.014 10.411 325 HA GLN 42 HA GLN 42 85.811 -5.480 12.985 326 HB2 GLN 42 HB2 GLN 42 84.730 -3.133 12.807 327 HB3 GLN 42 HB1 GLN 42 83.491 -3.939 11.844 328 HG2 GLN 42 HG2 GLN 42 83.048 -5.506 13.675 329 HG3 GLN 42 HG1 GLN 42 84.331 -4.775 14.636 330 HE21 GLN 42 HE21 GLN 42 81.181 -4.006 13.097 331 HE22 GLN 42 HE22 GLN 42 80.782 -2.766 14.185 332 H ALA 43 H ALA 43 85.416 -5.765 9.670 333 HA ALA 43 HA ALA 43 83.166 -7.567 9.684 334 HB1 ALA 43 HB1 ALA 43 84.227 -8.029 7.287 335 HB2 ALA 43 HB2 ALA 43 85.078 -6.527 7.648 336 HB3 ALA 43 HB3 ALA 43 83.316 -6.558 7.625 337 HA PRO 44 HA PRO 44 85.826 -11.012 10.826 338 HB2 PRO 44 HB2 PRO 44 83.900 -12.891 11.109 339 HB3 PRO 44 HB1 PRO 44 84.111 -11.579 12.286 340 HG2 PRO 44 HG2 PRO 44 82.117 -11.842 10.086 341 HG3 PRO 44 HG1 PRO 44 81.901 -11.235 11.737 342 HD2 PRO 44 HD2 PRO 44 82.215 -9.605 9.524 343 HD3 PRO 44 HD1 PRO 44 82.610 -9.115 11.187 344 H GLY 45 H GLY 45 87.060 -11.812 9.195 345 HA2 GLY 45 HA2 GLY 45 86.475 -13.981 7.650 346 HA3 GLY 45 HA3 GLY 45 85.940 -12.623 6.664 347 H PHE 46 H PHE 46 87.513 -11.001 6.066 348 HA PHE 46 HA PHE 46 90.010 -12.143 5.282 349 HB2 PHE 46 HB2 PHE 46 88.683 -10.344 4.053 350 HB3 PHE 46 HB1 PHE 46 89.315 -9.207 5.244 351 HD1 PHE 46 HD1 PHE 46 91.737 -8.746 5.391 352 HD2 PHE 46 HD2 PHE 46 90.117 -11.331 2.368 353 HE1 PHE 46 HE1 PHE 46 93.861 -8.591 4.122 354 HE2 PHE 46 HE2 PHE 46 92.240 -11.178 1.098 355 HZ PHE 46 HZ PHE 46 94.113 -9.807 1.974 356 H THR 47 H THR 47 92.104 -11.580 5.934 357 HA THR 47 HA THR 47 92.417 -11.081 8.732 358 HB THR 47 HB THR 47 94.504 -11.136 6.543 359 HG1 THR 47 HG1 THR 47 94.054 -13.223 8.329 360 HG21 THR 47 HG21 THR 47 95.427 -10.106 8.498 361 HG22 THR 47 HG22 THR 47 95.973 -11.783 8.512 362 HG23 THR 47 HG23 THR 47 94.646 -11.279 9.559 363 H TYR 48 H TYR 48 91.386 -9.015 8.947 364 HA TYR 48 HA TYR 48 92.176 -6.683 7.586 365 HB2 TYR 48 HB2 TYR 48 90.763 -7.264 10.154 366 HB3 TYR 48 HB3 TYR 48 91.304 -5.615 9.852 367 HD1 TYR 48 HD1 TYR 48 90.537 -4.401 7.821 368 HD2 TYR 48 HD2 TYR 48 88.919 -8.214 8.941 369 HE1 TYR 48 HE1 TYR 48 88.607 -4.012 6.331 370 HE2 TYR 48 HE2 TYR 48 86.980 -7.828 7.442 371 HH TYR 48 HH TYR 48 86.271 -4.778 6.124 372 H THR 49 H THR 49 93.489 -4.944 8.242 373 HA THR 49 HA THR 49 95.922 -5.783 9.598 374 HB THR 49 HB THR 49 96.776 -3.578 8.890 375 HG1 THR 49 HG1 THR 49 95.405 -2.076 8.444 376 HG21 THR 49 HG21 THR 49 97.116 -5.185 7.224 377 HG22 THR 49 HG22 THR 49 96.223 -3.936 6.355 378 HG23 THR 49 HG23 THR 49 95.388 -5.381 6.923 379 H ASP 50 H ASP 50 96.914 -4.426 11.271 380 HA ASP 50 HA ASP 50 95.262 -4.068 13.500 381 HB2 ASP 50 HB2 ASP 50 97.797 -2.495 13.206 382 HB3 ASP 50 HB1 ASP 50 97.162 -3.335 14.620 383 H ALA 51 H ALA 51 96.506 -1.691 11.176 384 HA ALA 51 HA ALA 51 95.560 0.640 12.375 385 HB1 ALA 51 HB1 ALA 51 95.888 -0.081 9.459 386 HB2 ALA 51 HB2 ALA 51 97.023 0.796 10.484 387 HB3 ALA 51 HB3 ALA 51 95.494 1.545 10.019 388 H ASN 52 H ASN 52 93.897 -1.679 10.290 389 HA ASN 52 HA ASN 52 91.456 -0.120 10.226 390 HB2 ASN 52 HB2 ASN 52 92.513 -2.534 8.941 391 HB3 ASN 52 HB1 ASN 52 90.816 -2.685 9.382 392 HD21 ASN 52 HD21 ASN 52 90.195 -2.582 7.089 393 HD22 ASN 52 HD22 ASN 52 90.234 -1.105 6.251 394 H LYS 53 H LYS 53 92.828 -2.685 12.129 395 HA LYS 53 HA LYS 53 90.310 -3.377 13.400 396 HB2 LYS 53 HB2 LYS 53 91.554 -5.287 13.448 397 HB3 LYS 53 HB3 LYS 53 93.076 -4.414 13.354 398 HG2 LYS 53 HG2 LYS 53 92.958 -3.876 15.738 399 HG3 LYS 53 HG3 LYS 53 91.374 -4.646 15.852 400 HD2 LYS 53 HD2 LYS 53 92.565 -6.759 14.937 401 HD3 LYS 53 HD3 LYS 53 94.060 -5.932 15.377 402 HE2 LYS 53 HE2 LYS 53 93.069 -5.613 17.695 403 HE3 LYS 53 HE3 LYS 53 91.778 -6.711 17.207 404 HZ1 LYS 53 HZ1 LYS 53 93.437 -8.394 16.722 405 HZ2 LYS 53 HZ2 LYS 53 93.555 -7.887 18.340 406 HZ3 LYS 53 HZ3 LYS 53 94.680 -7.340 17.191 407 H ASN 54 H ASN 54 92.634 -0.979 13.666 408 HA ASN 54 HA ASN 54 92.761 -0.587 16.469 409 HB2 ASN 54 HB2 ASN 54 93.891 1.355 15.961 410 HB3 ASN 54 HB1 ASN 54 94.128 0.459 14.467 411 HD21 ASN 54 HD21 ASN 54 91.463 0.832 13.381 412 HD22 ASN 54 HD22 ASN 54 91.289 2.477 13.005 413 H LYS 55 H LYS 55 90.332 -0.045 14.146 414 HA LYS 55 HA LYS 55 88.231 0.906 14.238 415 HB2 LYS 55 HB2 LYS 55 88.661 0.472 17.201 416 HB3 LYS 55 HB3 LYS 55 87.115 0.870 16.452 417 HG2 LYS 55 HG2 LYS 55 87.624 -1.218 14.935 418 HG3 LYS 55 HG3 LYS 55 88.722 -1.663 16.241 419 HD2 LYS 55 HD2 LYS 55 85.752 -1.109 16.505 420 HD3 LYS 55 HD3 LYS 55 86.538 -2.683 16.637 421 HE2 LYS 55 HE2 LYS 55 86.837 -0.317 18.500 422 HE3 LYS 55 HE3 LYS 55 86.176 -1.906 18.880 423 HZ1 LYS 55 HZ1 LYS 55 88.283 -2.168 19.644 424 HZ2 LYS 55 HZ2 LYS 55 88.959 -1.084 18.525 425 HZ3 LYS 55 HZ3 LYS 55 88.532 -2.654 18.038 426 H GLY 56 H GLY 56 89.708 2.857 13.596 427 HA2 GLY 56 HA2 GLY 56 89.813 4.955 15.619 428 HA3 GLY 56 HA3 GLY 56 90.421 5.062 13.971 429 H ILE 57 H ILE 57 88.092 4.257 12.597 430 HA ILE 57 HA ILE 57 86.058 6.243 13.375 431 HB ILE 57 HB ILE 57 85.934 7.126 11.119 432 HG12 ILE 57 HG12 ILE 57 88.035 6.371 9.636 433 HG13 ILE 57 HG13 ILE 57 87.874 4.896 10.584 434 HG21 ILE 57 HG21 ILE 57 87.534 8.160 12.690 435 HG22 ILE 57 HG22 ILE 57 88.118 8.261 11.028 436 HG23 ILE 57 HG23 ILE 57 88.793 7.060 12.129 437 HD11 ILE 57 HD11 ILE 57 86.556 5.169 8.313 438 HD12 ILE 57 HD12 ILE 57 85.418 6.070 9.308 439 HD13 ILE 57 HD13 ILE 57 85.784 4.388 9.686 440 H THR 58 H THR 58 84.181 6.012 11.611 441 HA THR 58 HA THR 58 83.656 3.114 11.317 442 HB THR 58 HB THR 58 81.747 5.341 12.046 443 HG1 THR 58 HG1 THR 58 81.955 4.563 13.979 444 HG21 THR 58 HG21 THR 58 80.101 3.399 12.187 445 HG22 THR 58 HG22 THR 58 81.278 2.457 11.276 446 HG23 THR 58 HG23 THR 58 80.557 3.895 10.558 447 H TRP 59 H TRP 59 82.798 2.384 9.427 448 HA TRP 59 HA TRP 59 83.169 3.926 7.085 449 HB2 TRP 59 HB2 TRP 59 81.343 1.534 7.270 450 HB3 TRP 59 HB1 TRP 59 82.281 2.092 5.885 451 HD1 TRP 59 HD1 TRP 59 85.078 2.487 7.233 452 HE1 TRP 59 HE1 TRP 59 86.444 0.434 8.003 453 HE3 TRP 59 HE3 TRP 59 81.348 -0.973 7.662 454 HZ2 TRP 59 HZ2 TRP 59 86.003 -2.290 8.742 455 HZ3 TRP 59 HZ3 TRP 59 81.851 -3.286 8.391 456 HH2 TRP 59 HH2 TRP 59 84.173 -3.945 8.932 457 H LYS 60 H LYS 60 81.811 5.158 5.908 458 HA LYS 60 HA LYS 60 78.948 5.151 6.358 459 HB2 LYS 60 HB2 LYS 60 80.660 7.529 7.121 460 HB3 LYS 60 HB3 LYS 60 78.918 7.620 6.871 461 HG2 LYS 60 HG2 LYS 60 78.733 5.715 8.587 462 HG3 LYS 60 HG3 LYS 60 80.415 6.065 8.984 463 HD2 LYS 60 HD2 LYS 60 78.287 8.214 8.971 464 HD3 LYS 60 HD3 LYS 60 78.645 7.254 10.405 465 HE2 LYS 60 HE2 LYS 60 81.047 7.950 10.202 466 HE3 LYS 60 HE3 LYS 60 80.578 9.025 8.885 467 HZ1 LYS 60 HZ1 LYS 60 80.202 10.508 10.484 468 HZ2 LYS 60 HZ2 LYS 60 80.230 9.338 11.716 469 HZ3 LYS 60 HZ3 LYS 60 78.801 9.619 10.840 470 H GLU 61 H GLU 61 78.380 7.612 5.139 471 HA GLU 61 HA GLU 61 78.950 6.951 2.397 472 HB2 GLU 61 HB2 GLU 61 76.780 7.943 3.239 473 HB3 GLU 61 HB3 GLU 61 77.644 9.468 3.443 474 HG2 GLU 61 HG2 GLU 61 78.197 9.532 1.079 475 HG3 GLU 61 HG3 GLU 61 77.501 7.931 0.835 476 H GLU 62 H GLU 62 79.571 9.880 4.355 477 HA GLU 62 HA GLU 62 81.355 10.997 2.434 478 HB2 GLU 62 HB2 GLU 62 82.004 12.451 4.513 479 HB3 GLU 62 HB3 GLU 62 80.399 12.616 3.806 480 HG2 GLU 62 HG2 GLU 62 80.747 10.543 5.931 481 HG3 GLU 62 HG3 GLU 62 80.754 12.229 6.439 482 H THR 63 H THR 63 81.812 9.043 5.342 483 HA THR 63 HA THR 63 84.604 9.334 5.573 484 HB THR 63 HB THR 63 84.537 7.239 6.844 485 HG1 THR 63 HG1 THR 63 82.422 6.821 5.249 486 HG21 THR 63 HG21 THR 63 83.826 9.106 8.106 487 HG22 THR 63 HG22 THR 63 82.591 7.878 8.387 488 HG23 THR 63 HG23 THR 63 82.283 9.195 7.255 489 H LEU 64 H LEU 64 82.587 7.232 3.604 490 HA LEU 64 HA LEU 64 84.704 5.591 2.645 491 HB2 LEU 64 HB2 LEU 64 81.851 5.918 2.125 492 HB3 LEU 64 HB3 LEU 64 82.756 5.569 0.659 493 HG LEU 64 HG LEU 64 83.131 3.956 3.190 494 HD11 LEU 64 HD11 LEU 64 81.664 2.336 1.549 495 HD12 LEU 64 HD12 LEU 64 80.932 3.902 1.212 496 HD13 LEU 64 HD13 LEU 64 80.977 3.289 2.863 497 HD21 LEU 64 HD21 LEU 64 83.804 2.250 1.366 498 HD22 LEU 64 HD22 LEU 64 84.918 3.583 1.662 499 HD23 LEU 64 HD23 LEU 64 83.841 3.627 0.266 500 H MET 65 H MET 65 83.276 8.636 1.584 501 HA MET 65 HA MET 65 84.406 8.796 -0.977 502 HB2 MET 65 HB2 MET 65 83.815 11.007 1.000 503 HB3 MET 65 HB1 MET 65 84.192 11.259 -0.704 504 HG2 MET 65 HG2 MET 65 82.241 10.050 -1.399 505 HG3 MET 65 HG1 MET 65 81.931 9.491 0.243 506 HE1 MET 65 HE1 MET 65 80.290 13.049 -1.785 507 HE2 MET 65 HE2 MET 65 80.203 11.315 -2.088 508 HE3 MET 65 HE3 MET 65 81.717 12.175 -2.359 509 H GLU 66 H GLU 66 85.671 10.223 2.047 510 HA GLU 66 HA GLU 66 88.122 11.077 0.961 511 HB2 GLU 66 HB2 GLU 66 87.450 10.266 3.801 512 HB3 GLU 66 HB3 GLU 66 88.900 11.148 3.314 513 HG2 GLU 66 HG2 GLU 66 86.081 12.113 2.764 514 HG3 GLU 66 HG3 GLU 66 87.033 12.619 4.159 515 H TYR 67 H TYR 67 87.017 7.993 2.134 516 HA TYR 67 HA TYR 67 89.637 6.789 2.266 517 HB2 TYR 67 HB2 TYR 67 87.935 5.907 3.709 518 HB3 TYR 67 HB3 TYR 67 86.834 5.675 2.357 519 HD1 TYR 67 HD1 TYR 67 89.867 4.416 4.032 520 HD2 TYR 67 HD2 TYR 67 87.090 3.821 0.810 521 HE1 TYR 67 HE1 TYR 67 90.762 2.129 3.684 522 HE2 TYR 67 HE2 TYR 67 87.987 1.535 0.460 523 HH TYR 67 HH TYR 67 89.512 0.046 1.071 524 H LEU 68 H LEU 68 87.125 7.183 -0.119 525 HA LEU 68 HA LEU 68 88.140 5.165 -1.908 526 HB2 LEU 68 HB2 LEU 68 85.993 7.262 -2.050 527 HB3 LEU 68 HB3 LEU 68 86.532 6.471 -3.525 528 HG LEU 68 HG LEU 68 85.473 5.061 -1.055 529 HD11 LEU 68 HD11 LEU 68 84.177 4.987 -3.759 530 HD12 LEU 68 HD12 LEU 68 83.908 6.388 -2.725 531 HD13 LEU 68 HD13 LEU 68 83.459 4.776 -2.163 532 HD21 LEU 68 HD21 LEU 68 85.385 3.249 -3.083 533 HD22 LEU 68 HD22 LEU 68 86.705 3.356 -1.921 534 HD23 LEU 68 HD23 LEU 68 86.853 4.124 -3.501 535 H GLU 69 H GLU 69 88.797 8.511 -1.299 536 HA GLU 69 HA GLU 69 90.088 8.887 -3.897 537 HB2 GLU 69 HB2 GLU 69 90.119 11.154 -3.428 538 HB3 GLU 69 HB3 GLU 69 88.702 10.644 -2.520 539 HG2 GLU 69 HG2 GLU 69 89.779 11.839 -0.868 540 HG3 GLU 69 HG3 GLU 69 90.507 10.261 -0.593 541 H ASN 70 H ASN 70 90.872 7.704 -0.856 542 HA ASN 70 HA ASN 70 93.594 7.268 -1.513 543 HB2 ASN 70 HB2 ASN 70 93.393 9.810 -0.830 544 HB3 ASN 70 HB1 ASN 70 93.384 9.157 0.803 545 HD21 ASN 70 HD21 ASN 70 95.184 6.985 0.509 546 HD22 ASN 70 HD22 ASN 70 96.719 7.589 0.109 547 HA PRO 71 HA PRO 71 91.277 4.545 1.563 548 HB2 PRO 71 HB2 PRO 71 93.055 2.673 0.047 549 HB3 PRO 71 HB1 PRO 71 91.378 2.453 0.576 550 HG2 PRO 71 HG2 PRO 71 91.976 3.013 -1.959 551 HG3 PRO 71 HG1 PRO 71 90.522 3.660 -1.181 552 HD2 PRO 71 HD2 PRO 71 93.042 5.064 -1.916 553 HD3 PRO 71 HD1 PRO 71 91.394 5.710 -1.761 554 H LYS 72 H LYS 72 94.709 4.668 0.647 555 HA LYS 72 HA LYS 72 95.599 3.387 3.064 556 HB2 LYS 72 HB2 LYS 72 96.857 3.219 0.954 557 HB3 LYS 72 HB3 LYS 72 97.152 4.953 0.995 558 HG2 LYS 72 HG2 LYS 72 99.120 4.064 1.927 559 HG3 LYS 72 HG3 LYS 72 98.181 4.512 3.345 560 HD2 LYS 72 HD2 LYS 72 99.141 2.267 3.626 561 HD3 LYS 72 HD3 LYS 72 97.385 2.175 3.555 562 HE2 LYS 72 HE2 LYS 72 97.393 1.068 1.546 563 HE3 LYS 72 HE3 LYS 72 98.805 1.943 0.950 564 HZ1 LYS 72 HZ1 LYS 72 100.053 0.619 2.735 565 HZ2 LYS 72 HZ2 LYS 72 99.597 -0.183 1.308 566 HZ3 LYS 72 HZ3 LYS 72 98.699 -0.403 2.732 567 H LYS 73 H LYS 73 95.729 6.736 1.845 568 HA LYS 73 HA LYS 73 97.056 7.820 4.061 569 HB2 LYS 73 HB2 LYS 73 96.756 8.977 1.877 570 HB3 LYS 73 HB3 LYS 73 95.060 9.232 2.286 571 HG2 LYS 73 HG2 LYS 73 95.598 10.638 4.122 572 HG3 LYS 73 HG3 LYS 73 97.286 10.133 4.116 573 HD2 LYS 73 HD2 LYS 73 97.135 12.343 3.114 574 HD3 LYS 73 HD3 LYS 73 97.536 11.178 1.852 575 HE2 LYS 73 HE2 LYS 73 95.308 11.170 1.009 576 HE3 LYS 73 HE3 LYS 73 94.683 11.985 2.441 577 HZ1 LYS 73 HZ1 LYS 73 95.776 13.976 1.838 578 HZ2 LYS 73 HZ2 LYS 73 94.986 13.424 0.439 579 HZ3 LYS 73 HZ3 LYS 73 96.663 13.215 0.610 580 H TYR 74 H TYR 74 93.664 7.069 3.552 581 HA TYR 74 HA TYR 74 92.636 8.624 5.693 582 HB2 TYR 74 HB2 TYR 74 91.453 7.303 3.695 583 HB3 TYR 74 HB3 TYR 74 91.295 6.064 4.939 584 HD1 TYR 74 HD1 TYR 74 90.943 9.801 4.659 585 HD2 TYR 74 HD2 TYR 74 89.333 6.127 6.202 586 HE1 TYR 74 HE1 TYR 74 89.049 11.049 5.658 587 HE2 TYR 74 HE2 TYR 74 87.440 7.378 7.201 588 HH TYR 74 HH TYR 74 87.426 10.609 7.690 589 H ILE 75 H ILE 75 93.274 5.115 5.497 590 HA ILE 75 HA ILE 75 93.778 5.135 8.415 591 HB ILE 75 HB ILE 75 92.412 2.922 6.861 592 HG12 ILE 75 HG12 ILE 75 91.153 4.708 8.950 593 HG13 ILE 75 HG13 ILE 75 91.131 5.146 7.243 594 HG21 ILE 75 HG21 ILE 75 91.893 2.193 9.270 595 HG22 ILE 75 HG22 ILE 75 93.136 3.340 9.769 596 HG23 ILE 75 HG23 ILE 75 93.558 1.980 8.729 597 HD11 ILE 75 HD11 ILE 75 90.137 2.485 8.293 598 HD12 ILE 75 HD12 ILE 75 89.944 3.129 6.662 599 HD13 ILE 75 HD13 ILE 75 89.089 3.876 8.011 600 HA PRO 76 HA PRO 76 97.532 3.826 5.873 601 HB2 PRO 76 HB2 PRO 76 98.565 4.642 8.572 602 HB3 PRO 76 HB1 PRO 76 99.276 4.910 6.967 603 HG2 PRO 76 HG2 PRO 76 97.984 6.853 8.259 604 HG3 PRO 76 HG1 PRO 76 97.889 6.680 6.498 605 HD2 PRO 76 HD2 PRO 76 95.809 6.132 8.544 606 HD3 PRO 76 HD1 PRO 76 95.621 6.515 6.819 607 H GLY 77 H GLY 77 98.093 1.734 5.815 608 HA2 GLY 77 HA2 GLY 77 99.122 -0.146 7.046 609 HA3 GLY 77 HA3 GLY 77 97.921 0.130 8.304 610 H THR 78 H THR 78 95.794 0.683 6.339 611 HA THR 78 HA THR 78 94.638 -1.845 6.128 612 HB THR 78 HB THR 78 93.423 0.327 5.940 613 HG1 THR 78 HG1 THR 78 92.500 -0.650 3.689 614 HG21 THR 78 HG21 THR 78 95.169 1.267 4.331 615 HG22 THR 78 HG22 THR 78 93.484 1.582 3.919 616 HG23 THR 78 HG23 THR 78 94.376 0.316 3.076 617 H LYS 79 H LYS 79 94.659 -3.444 4.613 618 HA LYS 79 HA LYS 79 96.778 -3.322 2.618 619 HB2 LYS 79 HB2 LYS 79 96.233 -5.344 4.105 620 HB3 LYS 79 HB3 LYS 79 94.861 -5.610 3.033 621 HG2 LYS 79 HG2 LYS 79 96.451 -6.887 1.938 622 HG3 LYS 79 HG3 LYS 79 96.727 -5.335 1.146 623 HD2 LYS 79 HD2 LYS 79 98.536 -4.836 2.753 624 HD3 LYS 79 HD3 LYS 79 98.264 -6.391 3.540 625 HE2 LYS 79 HE2 LYS 79 98.643 -7.420 1.195 626 HE3 LYS 79 HE3 LYS 79 99.335 -5.853 0.773 627 HZ1 LYS 79 HZ1 LYS 79 101.036 -7.372 1.547 628 HZ2 LYS 79 HZ2 LYS 79 100.211 -7.595 3.014 629 HZ3 LYS 79 HZ3 LYS 79 100.870 -6.077 2.630 630 H MET 80 H MET 80 96.035 -1.859 1.079 631 HA MET 80 HA MET 80 94.499 -2.911 -1.037 632 HB2 MET 80 HB2 MET 80 92.546 -2.539 0.348 633 HB3 MET 80 HB1 MET 80 93.063 -0.890 0.704 634 HG2 MET 80 HG2 MET 80 92.739 -0.200 -1.570 635 HG3 MET 80 HG1 MET 80 92.545 -1.864 -2.115 636 HE1 MET 80 HE1 MET 80 90.355 -0.262 -3.263 637 HE2 MET 80 HE2 MET 80 90.870 1.018 -2.169 638 HE3 MET 80 HE3 MET 80 89.186 0.507 -2.182 639 H ILE 81 H ILE 81 96.023 -2.147 -2.414 640 HA ILE 81 HA ILE 81 96.225 0.786 -2.680 641 HB ILE 81 HB ILE 81 98.538 -1.167 -2.825 642 HG12 ILE 81 HG12 ILE 81 99.277 0.570 -0.938 643 HG13 ILE 81 HG13 ILE 81 97.536 0.763 -0.751 644 HG21 ILE 81 HG21 ILE 81 98.941 0.533 -4.436 645 HG22 ILE 81 HG22 ILE 81 99.823 1.053 -3.001 646 HG23 ILE 81 HG23 ILE 81 98.270 1.789 -3.397 647 HD11 ILE 81 HD11 ILE 81 97.780 -1.017 0.668 648 HD12 ILE 81 HD12 ILE 81 99.264 -1.564 -0.109 649 HD13 ILE 81 HD13 ILE 81 97.700 -1.951 -0.825 650 H PHE 82 H PHE 82 94.701 0.558 -4.398 651 HA PHE 82 HA PHE 82 95.791 -0.724 -6.837 652 HB2 PHE 82 HB2 PHE 82 93.693 -1.742 -6.133 653 HB3 PHE 82 HB1 PHE 82 92.918 -0.160 -6.065 654 HD1 PHE 82 HD2 PHE 82 94.807 -2.378 -8.424 655 HD2 PHE 82 HD1 PHE 82 91.799 0.654 -7.960 656 HE1 PHE 82 HE2 PHE 82 94.267 -2.543 -10.839 657 HE2 PHE 82 HE1 PHE 82 91.260 0.487 -10.373 658 HZ PHE 82 HZ PHE 82 92.493 -1.111 -11.813 659 H ALA 83 H ALA 83 93.290 1.743 -6.267 660 HA ALA 83 HA ALA 83 94.805 3.922 -7.277 661 HB1 ALA 83 HB1 ALA 83 92.741 2.880 -9.220 662 HB2 ALA 83 HB2 ALA 83 94.459 2.512 -9.368 663 HB3 ALA 83 HB3 ALA 83 93.903 4.183 -9.467 664 H GLY 84 H GLY 84 93.937 5.469 -6.062 665 HA2 GLY 84 HA2 GLY 84 91.333 5.402 -4.961 666 HA3 GLY 84 HA3 GLY 84 92.395 6.806 -4.998 667 H ILE 85 H ILE 85 89.783 7.310 -5.279 668 HA ILE 85 HA ILE 85 89.022 7.364 -8.085 669 HB ILE 85 HB ILE 85 87.724 8.425 -5.571 670 HG12 ILE 85 HG12 ILE 85 87.865 5.875 -6.226 671 HG13 ILE 85 HG13 ILE 85 86.337 6.549 -5.674 672 HG21 ILE 85 HG21 ILE 85 85.717 8.686 -7.159 673 HG22 ILE 85 HG22 ILE 85 86.896 8.621 -8.467 674 HG23 ILE 85 HG23 ILE 85 86.983 9.908 -7.265 675 HD11 ILE 85 HD11 ILE 85 86.961 6.579 -8.610 676 HD12 ILE 85 HD12 ILE 85 85.395 6.536 -7.799 677 HD13 ILE 85 HD13 ILE 85 86.398 5.087 -7.857 678 H LYS 86 H LYS 86 88.456 9.389 -9.172 679 HA LYS 86 HA LYS 86 90.433 11.474 -8.566 680 HB2 LYS 86 HB2 LYS 86 88.763 10.911 -11.022 681 HB3 LYS 86 HB3 LYS 86 89.854 12.287 -10.862 682 HG2 LYS 86 HG2 LYS 86 91.739 10.736 -10.451 683 HG3 LYS 86 HG3 LYS 86 90.644 9.366 -10.649 684 HD2 LYS 86 HD2 LYS 86 90.089 10.284 -12.952 685 HD3 LYS 86 HD3 LYS 86 91.429 11.413 -12.737 686 HE2 LYS 86 HE2 LYS 86 91.530 8.398 -12.886 687 HE3 LYS 86 HE3 LYS 86 92.385 9.572 -13.888 688 HZ1 LYS 86 HZ1 LYS 86 93.842 8.583 -12.229 689 HZ2 LYS 86 HZ2 LYS 86 92.828 9.137 -10.983 690 HZ3 LYS 86 HZ3 LYS 86 93.662 10.248 -11.959 691 H LYS 87 H LYS 87 87.147 11.610 -9.968 692 HA LYS 87 HA LYS 87 86.722 14.191 -8.696 693 HB2 LYS 87 HB2 LYS 87 84.987 12.539 -10.542 694 HB3 LYS 87 HB3 LYS 87 84.581 14.155 -9.964 695 HG2 LYS 87 HG2 LYS 87 86.804 14.933 -10.916 696 HG3 LYS 87 HG3 LYS 87 86.929 13.356 -11.697 697 HD2 LYS 87 HD2 LYS 87 84.800 13.749 -12.865 698 HD3 LYS 87 HD3 LYS 87 84.643 15.315 -12.067 699 HE2 LYS 87 HE2 LYS 87 86.800 16.017 -13.109 700 HE3 LYS 87 HE3 LYS 87 86.844 14.486 -13.981 701 HZ1 LYS 87 HZ1 LYS 87 85.699 16.721 -14.910 702 HZ2 LYS 87 HZ2 LYS 87 84.360 15.946 -14.207 703 HZ3 LYS 87 HZ3 LYS 87 85.270 15.156 -15.403 704 H LYS 88 H LYS 88 84.692 14.661 -7.556 705 HA LYS 88 HA LYS 88 84.311 12.867 -5.372 706 HB2 LYS 88 HB2 LYS 88 84.069 15.388 -5.294 707 HB3 LYS 88 HB3 LYS 88 82.527 15.185 -6.127 708 HG2 LYS 88 HG2 LYS 88 81.822 13.611 -4.292 709 HG3 LYS 88 HG3 LYS 88 83.302 14.033 -3.433 710 HD2 LYS 88 HD2 LYS 88 81.849 15.575 -2.494 711 HD3 LYS 88 HD3 LYS 88 82.441 16.516 -3.862 712 HE2 LYS 88 HE2 LYS 88 80.485 15.786 -5.198 713 HE3 LYS 88 HE3 LYS 88 79.887 14.882 -3.807 714 HZ1 LYS 88 HZ1 LYS 88 78.845 16.763 -3.280 715 HZ2 LYS 88 HZ2 LYS 88 79.782 17.702 -4.342 716 HZ3 LYS 88 HZ3 LYS 88 80.361 17.342 -2.786 717 H THR 89 H THR 89 82.194 13.874 -8.071 718 HA THR 89 HA THR 89 79.963 12.354 -7.457 719 HB THR 89 HB THR 89 79.523 12.292 -9.908 720 HG1 THR 89 HG1 THR 89 81.048 12.889 -11.285 721 HG21 THR 89 HG21 THR 89 79.274 14.684 -10.139 722 HG22 THR 89 HG22 THR 89 80.550 14.978 -8.957 723 HG23 THR 89 HG23 THR 89 79.016 14.278 -8.441 724 H GLU 90 H GLU 90 83.050 11.332 -8.741 725 HA GLU 90 HA GLU 90 82.228 8.758 -9.637 726 HB2 GLU 90 HB2 GLU 90 84.879 9.961 -8.867 727 HB3 GLU 90 HB3 GLU 90 84.742 8.242 -9.226 728 HG2 GLU 90 HG2 GLU 90 83.757 8.792 -11.426 729 HG3 GLU 90 HG3 GLU 90 83.935 10.509 -11.068 730 H ARG 91 H ARG 91 83.288 10.097 -6.567 731 HA ARG 91 HA ARG 91 83.380 7.552 -5.205 732 HB2 ARG 91 HB2 ARG 91 83.226 10.342 -4.033 733 HB3 ARG 91 HB3 ARG 91 83.721 8.873 -3.193 734 HG2 ARG 91 HG2 ARG 91 85.595 8.634 -4.834 735 HG3 ARG 91 HG3 ARG 91 85.147 10.199 -5.513 736 HD2 ARG 91 HD2 ARG 91 85.315 10.536 -2.690 737 HD3 ARG 91 HD3 ARG 91 86.755 9.656 -3.192 738 HE ARG 91 HE ARG 91 86.546 11.690 -5.017 739 HH11 ARG 91 HH21 ARG 91 86.621 11.442 -1.565 740 HH12 ARG 91 HH22 ARG 91 87.365 12.989 -1.333 741 HH21 ARG 91 HH11 ARG 91 87.521 13.719 -4.719 742 HH22 ARG 91 HH12 ARG 91 87.875 14.277 -3.118 743 H GLU 92 H GLU 92 81.134 10.316 -5.316 744 HA GLU 92 HA GLU 92 79.252 9.308 -3.477 745 HB2 GLU 92 HB2 GLU 92 79.328 11.658 -4.379 746 HB3 GLU 92 HB3 GLU 92 78.654 11.041 -5.888 747 HG2 GLU 92 HG2 GLU 92 76.718 10.128 -4.606 748 HG3 GLU 92 HG3 GLU 92 77.372 10.870 -3.147 749 H ASP 93 H ASP 93 79.263 9.167 -7.051 750 HA ASP 93 HA ASP 93 76.984 7.541 -7.318 751 HB2 ASP 93 HB2 ASP 93 79.419 7.638 -9.117 752 HB3 ASP 93 HB1 ASP 93 77.819 7.042 -9.560 753 H LEU 94 H LEU 94 80.439 6.663 -7.254 754 HA LEU 94 HA LEU 94 80.169 3.890 -7.437 755 HB2 LEU 94 HB2 LEU 94 82.353 4.962 -7.589 756 HB3 LEU 94 HB3 LEU 94 82.215 5.523 -5.926 757 HG LEU 94 HG LEU 94 82.264 3.255 -5.081 758 HD11 LEU 94 HD11 LEU 94 82.762 1.438 -6.894 759 HD12 LEU 94 HD12 LEU 94 82.018 2.587 -8.004 760 HD13 LEU 94 HD13 LEU 94 81.097 1.954 -6.640 761 HD21 LEU 94 HD21 LEU 94 84.413 4.526 -6.032 762 HD22 LEU 94 HD22 LEU 94 84.437 3.151 -7.137 763 HD23 LEU 94 HD23 LEU 94 84.521 2.886 -5.397 764 H ILE 95 H ILE 95 79.949 6.050 -4.673 765 HA ILE 95 HA ILE 95 79.752 3.924 -2.773 766 HB ILE 95 HB ILE 95 79.417 6.901 -2.607 767 HG12 ILE 95 HG12 ILE 95 81.307 4.981 -1.222 768 HG13 ILE 95 HG13 ILE 95 81.658 5.736 -2.772 769 HG21 ILE 95 HG21 ILE 95 78.620 4.780 -0.644 770 HG22 ILE 95 HG22 ILE 95 77.876 6.347 -0.956 771 HG23 ILE 95 HG23 ILE 95 79.371 6.251 -0.026 772 HD11 ILE 95 HD11 ILE 95 82.692 7.065 -1.043 773 HD12 ILE 95 HD12 ILE 95 81.184 7.134 -0.135 774 HD13 ILE 95 HD13 ILE 95 81.321 7.968 -1.682 775 H ALA 96 H ALA 96 77.514 5.791 -4.669 776 HA ALA 96 HA ALA 96 75.167 5.223 -3.177 777 HB1 ALA 96 HB1 ALA 96 73.970 6.013 -5.063 778 HB2 ALA 96 HB2 ALA 96 75.273 5.582 -6.172 779 HB3 ALA 96 HB3 ALA 96 75.472 6.937 -5.060 780 H TYR 97 H TYR 97 76.980 3.516 -5.654 781 HA TYR 97 HA TYR 97 75.029 1.433 -6.007 782 HB2 TYR 97 HB2 TYR 97 76.524 1.844 -7.842 783 HB3 TYR 97 HB3 TYR 97 77.938 1.671 -6.802 784 HD1 TYR 97 HD1 TYR 97 75.027 -0.175 -8.223 785 HD2 TYR 97 HD2 TYR 97 78.877 -0.467 -6.343 786 HE1 TYR 97 HE1 TYR 97 75.049 -2.616 -8.651 787 HE2 TYR 97 HE2 TYR 97 78.900 -2.909 -6.772 788 HH TYR 97 HH TYR 97 77.029 -4.413 -8.928 789 H LEU 98 H LEU 98 78.096 1.793 -4.239 790 HA LEU 98 HA LEU 98 78.308 -0.793 -3.220 791 HB2 LEU 98 HB2 LEU 98 79.211 1.898 -2.241 792 HB3 LEU 98 HB3 LEU 98 79.458 0.474 -1.237 793 HG LEU 98 HG LEU 98 80.301 0.423 -4.130 794 HD11 LEU 98 HD11 LEU 98 81.284 2.470 -2.978 795 HD12 LEU 98 HD12 LEU 98 82.452 1.320 -3.610 796 HD13 LEU 98 HD13 LEU 98 82.098 1.356 -1.884 797 HD21 LEU 98 HD21 LEU 98 81.908 -1.215 -3.258 798 HD22 LEU 98 HD22 LEU 98 80.278 -1.651 -2.746 799 HD23 LEU 98 HD23 LEU 98 81.379 -0.876 -1.611 800 H LYS 99 H LYS 99 76.126 1.771 -2.422 801 HA LYS 99 HA LYS 99 75.392 0.747 0.174 802 HB2 LYS 99 HB2 LYS 99 74.296 2.887 -1.636 803 HB3 LYS 99 HB3 LYS 99 73.426 2.386 -0.187 804 HG2 LYS 99 HG2 LYS 99 75.354 2.926 1.209 805 HG3 LYS 99 HG3 LYS 99 76.311 3.315 -0.220 806 HD2 LYS 99 HD2 LYS 99 75.489 5.386 0.760 807 HD3 LYS 99 HD3 LYS 99 74.673 5.117 -0.780 808 HE2 LYS 99 HE2 LYS 99 72.653 4.518 0.245 809 HE3 LYS 99 HE3 LYS 99 73.436 4.106 1.772 810 HZ1 LYS 99 HZ1 LYS 99 74.053 6.569 1.835 811 HZ2 LYS 99 HZ2 LYS 99 72.445 6.144 2.183 812 HZ3 LYS 99 HZ3 LYS 99 72.850 6.776 0.658 813 H LYS 100 H LYS 100 73.741 0.907 -2.993 814 HA LYS 100 HA LYS 100 71.586 -0.782 -2.127 815 HB2 LYS 100 HB2 LYS 100 71.560 0.974 -4.010 816 HB3 LYS 100 HB3 LYS 100 72.337 -0.261 -4.999 817 HG2 LYS 100 HG2 LYS 100 70.383 -1.795 -4.133 818 HG3 LYS 100 HG3 LYS 100 69.584 -0.264 -3.783 819 HD2 LYS 100 HD2 LYS 100 68.868 -0.648 -5.966 820 HD3 LYS 100 HD3 LYS 100 70.300 0.338 -6.251 821 HE2 LYS 100 HE2 LYS 100 70.685 -1.435 -7.714 822 HE3 LYS 100 HE3 LYS 100 71.533 -2.002 -6.277 823 HZ1 LYS 100 HZ1 LYS 100 68.727 -2.681 -6.969 824 HZ2 LYS 100 HZ2 LYS 100 69.615 -3.283 -5.651 825 HZ3 LYS 100 HZ3 LYS 100 70.063 -3.692 -7.238 826 H ALA 101 H ALA 101 74.758 -1.337 -3.277 827 HA ALA 101 HA ALA 101 74.212 -4.010 -4.295 828 HB1 ALA 101 HB1 ALA 101 76.581 -4.100 -4.775 829 HB2 ALA 101 HB2 ALA 101 76.876 -2.661 -3.799 830 HB3 ALA 101 HB3 ALA 101 75.963 -2.536 -5.303 831 H THR 102 H THR 102 75.380 -2.467 -1.381 832 HA THR 102 HA THR 102 76.170 -5.036 -0.213 833 HB THR 102 HB THR 102 76.855 -3.642 1.730 834 HG1 THR 102 HG1 THR 102 75.269 -1.894 0.497 835 HG21 THR 102 HG21 THR 102 77.824 -2.992 -1.046 836 HG22 THR 102 HG22 THR 102 78.590 -3.999 0.183 837 HG23 THR 102 HG23 THR 102 78.566 -2.245 0.369 838 H ASN 103 H ASN 103 73.426 -3.204 -0.599 839 HA ASN 103 HA ASN 103 72.183 -4.133 1.911 840 HB2 ASN 103 HB2 ASN 103 71.487 -1.991 -0.090 841 HB3 ASN 103 HB1 ASN 103 70.309 -2.577 1.077 842 HD21 ASN 103 HD21 ASN 103 73.736 -2.439 1.894 843 HD22 ASN 103 HD22 ASN 103 73.599 -1.158 2.996 844 H GLU 104 H GLU 104 72.269 -4.569 -1.510 845 HA GLU 104 HA GLU 104 70.851 -5.706 -2.978 846 HB2 GLU 104 HB2 GLU 104 71.603 -7.580 -0.746 847 HB3 GLU 104 HB3 GLU 104 70.648 -8.144 -2.118 848 HG2 GLU 104 HG2 GLU 104 73.202 -6.600 -2.551 849 HG3 GLU 104 HG3 GLU 104 73.240 -8.337 -2.261 850 HHA HEC 201 HA HEC 105 89.430 -3.539 3.121 851 HHB HEC 201 HB HEC 105 85.574 -0.091 -0.509 852 HHC HEC 201 HC HEC 105 88.890 -1.792 -5.621 853 HHD HEC 201 HD HEC 105 92.307 -5.750 -2.060 854 HMA1 HEC 201 HMA1 HEC 105 85.784 0.779 2.257 855 HMA2 HEC 201 HMA2 HEC 105 85.153 -0.575 3.193 856 HMA3 HEC 201 HMA3 HEC 105 84.646 -0.349 1.522 857 HAA1 HEC 201 HAA1 HEC 105 87.057 -0.940 4.407 858 HAA2 HEC 201 HAA2 HEC 105 88.466 -1.981 4.369 859 HBA1 HEC 201 HBA1 HEC 105 87.224 -3.909 4.643 860 HBA2 HEC 201 HBA2 HEC 105 85.782 -3.218 3.911 861 HMB1 HEC 201 HMB1 HEC 105 85.010 1.269 -2.230 862 HMB2 HEC 201 HMB2 HEC 105 84.127 -0.055 -2.985 863 HMB3 HEC 201 HMB3 HEC 105 84.898 1.171 -3.984 864 HAB HEC 201 HAB HEC 105 87.381 -0.597 -6.276 865 HBB1 HEC 201 HBB1 HEC 105 87.961 1.626 -6.069 866 HBB2 HEC 201 HBB2 HEC 105 86.267 1.824 -6.508 867 HBB3 HEC 201 HBB3 HEC 105 86.761 1.937 -4.820 868 HMC1 HEC 201 HMC1 HEC 105 89.854 -3.296 -6.957 869 HMC2 HEC 201 HMC2 HEC 105 91.262 -4.350 -6.999 870 HMC3 HEC 201 HMC3 HEC 105 91.465 -2.620 -6.736 871 HAC HEC 201 HAC HEC 105 92.752 -6.171 -3.987 872 HBC1 HEC 201 HBC1 HEC 105 93.293 -4.040 -5.980 873 HBC2 HEC 201 HBC2 HEC 105 93.748 -5.671 -6.469 874 HBC3 HEC 201 HBC3 HEC 105 94.418 -4.973 -4.995 875 HMD1 HEC 201 HMD1 HEC 105 92.437 -7.482 0.397 876 HMD2 HEC 201 HMD2 HEC 105 93.431 -6.463 1.435 877 HMD3 HEC 201 HMD3 HEC 105 93.521 -6.285 -0.312 878 HAD1 HEC 201 HAD1 HEC 105 92.076 -6.243 3.111 879 HAD2 HEC 201 HAD2 HEC 105 90.508 -5.617 3.583 880 HBD1 HEC 201 HBD1 HEC 105 91.657 -3.305 3.636 881 HBD2 HEC 201 HBD2 HEC 105 93.167 -4.208 3.611 882 H1 HOH 301 H2 HOH 200 79.841 3.237 -0.910 883 H2 HOH 301 H1 HOH 200 80.503 2.064 -0.224 884 H1 HOH 302 H2 HOH 201 86.219 4.805 5.975 885 H2 HOH 302 H1 HOH 201 85.827 6.093 5.282 886 H1 HOH 303 H2 HOH 202 82.939 -4.783 5.961 887 H2 HOH 303 H1 HOH 202 84.134 -5.660 5.654 888 H1 HOH 304 H2 HOH 203 84.524 -10.138 0.921 889 H2 HOH 304 H1 HOH 203 83.976 -9.143 -0.078 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 75.184 9.315 -5.288 2 H2 GLY 1 H2 GLY 1 76.062 9.744 -6.677 3 H3 GLY 1 H3 GLY 1 75.169 8.298 -6.646 4 HA2 GLY 1 HA2 GLY 1 73.238 10.047 -6.095 5 HA3 GLY 1 HA3 GLY 1 74.287 11.018 -7.130 6 H ASP 2 H ASP 2 75.167 8.235 -8.247 7 HA ASP 2 HA ASP 2 72.811 7.705 -9.945 8 HB2 ASP 2 HB2 ASP 2 75.622 8.275 -10.897 9 HB3 ASP 2 HB1 ASP 2 74.367 7.555 -11.905 10 H VAL 3 H VAL 3 72.574 5.808 -8.664 11 HA VAL 3 HA VAL 3 74.438 3.861 -8.112 12 HB VAL 3 HB VAL 3 72.198 3.686 -7.249 13 HG11 VAL 3 HG11 VAL 3 70.923 4.729 -8.996 14 HG12 VAL 3 HG12 VAL 3 70.323 3.077 -8.852 15 HG13 VAL 3 HG13 VAL 3 71.414 3.508 -10.169 16 HG21 VAL 3 HG21 VAL 3 72.516 1.424 -9.242 17 HG22 VAL 3 HG22 VAL 3 71.746 1.361 -7.658 18 HG23 VAL 3 HG23 VAL 3 73.492 1.562 -7.780 19 H GLU 4 H GLU 4 73.208 4.842 -11.170 20 HA GLU 4 HA GLU 4 73.737 2.397 -12.584 21 HB2 GLU 4 HB2 GLU 4 73.216 5.237 -13.460 22 HB3 GLU 4 HB3 GLU 4 73.569 3.947 -14.611 23 HG2 GLU 4 HG2 GLU 4 71.396 3.671 -12.532 24 HG3 GLU 4 HG3 GLU 4 71.088 4.402 -14.106 25 H LYS 5 H LYS 5 75.363 5.582 -12.654 26 HA LYS 5 HA LYS 5 77.647 4.552 -14.036 27 HB2 LYS 5 HB2 LYS 5 76.896 7.148 -12.750 28 HB3 LYS 5 HB3 LYS 5 78.606 6.845 -13.042 29 HG2 LYS 5 HG2 LYS 5 77.818 7.952 -15.000 30 HG3 LYS 5 HG3 LYS 5 77.946 6.254 -15.447 31 HD2 LYS 5 HD2 LYS 5 75.824 6.766 -16.260 32 HD3 LYS 5 HD3 LYS 5 75.425 6.165 -14.653 33 HE2 LYS 5 HE2 LYS 5 75.386 8.482 -13.794 34 HE3 LYS 5 HE3 LYS 5 75.787 9.081 -15.403 35 HZ1 LYS 5 HZ1 LYS 5 73.310 8.880 -14.571 36 HZ2 LYS 5 HZ2 LYS 5 73.489 7.295 -15.158 37 HZ3 LYS 5 HZ3 LYS 5 73.729 8.620 -16.194 38 H GLY 6 H GLY 6 76.637 4.623 -10.766 39 HA2 GLY 6 HA2 GLY 6 79.227 4.460 -9.547 40 HA3 GLY 6 HA3 GLY 6 77.688 4.045 -8.787 41 H LYS 7 H LYS 7 76.861 2.231 -10.841 42 HA LYS 7 HA LYS 7 78.058 -0.172 -9.891 43 HB2 LYS 7 HB2 LYS 7 75.725 -0.105 -10.623 44 HB3 LYS 7 HB3 LYS 7 76.231 0.329 -12.254 45 HG2 LYS 7 HG2 LYS 7 77.552 -2.094 -11.202 46 HG3 LYS 7 HG3 LYS 7 75.806 -2.253 -11.377 47 HD2 LYS 7 HD2 LYS 7 76.004 -1.421 -13.727 48 HD3 LYS 7 HD3 LYS 7 77.757 -1.403 -13.539 49 HE2 LYS 7 HE2 LYS 7 77.560 -3.520 -14.407 50 HE3 LYS 7 HE3 LYS 7 77.255 -3.930 -12.719 51 HZ1 LYS 7 HZ1 LYS 7 75.048 -3.112 -14.497 52 HZ2 LYS 7 HZ2 LYS 7 74.983 -4.024 -13.065 53 HZ3 LYS 7 HZ3 LYS 7 75.599 -4.716 -14.490 54 H LYS 8 H LYS 8 78.310 1.706 -12.902 55 HA LYS 8 HA LYS 8 79.933 -0.075 -14.345 56 HB2 LYS 8 HB2 LYS 8 78.876 1.853 -15.396 57 HB3 LYS 8 HB3 LYS 8 79.850 2.950 -14.418 58 HG2 LYS 8 HG2 LYS 8 81.409 0.934 -15.931 59 HG3 LYS 8 HG3 LYS 8 80.546 2.097 -16.934 60 HD2 LYS 8 HD2 LYS 8 82.156 3.066 -14.581 61 HD3 LYS 8 HD3 LYS 8 82.964 2.675 -16.098 62 HE2 LYS 8 HE2 LYS 8 81.459 4.230 -17.297 63 HE3 LYS 8 HE3 LYS 8 80.672 4.636 -15.773 64 HZ1 LYS 8 HZ1 LYS 8 82.572 5.671 -14.974 65 HZ2 LYS 8 HZ2 LYS 8 82.536 6.146 -16.605 66 HZ3 LYS 8 HZ3 LYS 8 83.591 4.915 -16.099 67 H ILE 9 H ILE 9 80.855 2.666 -12.266 68 HA ILE 9 HA ILE 9 83.646 2.305 -12.517 69 HB ILE 9 HB ILE 9 82.035 3.580 -10.297 70 HG12 ILE 9 HG12 ILE 9 83.574 4.949 -12.508 71 HG13 ILE 9 HG13 ILE 9 81.892 4.467 -12.724 72 HG21 ILE 9 HG21 ILE 9 84.227 4.787 -9.884 73 HG22 ILE 9 HG22 ILE 9 84.992 3.610 -10.950 74 HG23 ILE 9 HG23 ILE 9 84.232 3.078 -9.451 75 HD11 ILE 9 HD11 ILE 9 82.742 6.083 -10.324 76 HD12 ILE 9 HD12 ILE 9 81.131 5.910 -11.019 77 HD13 ILE 9 HD13 ILE 9 82.355 6.866 -11.856 78 H PHE 10 H PHE 10 81.244 0.700 -10.591 79 HA PHE 10 HA PHE 10 83.102 -0.323 -8.640 80 HB2 PHE 10 HB2 PHE 10 80.971 -0.226 -7.747 81 HB3 PHE 10 HB1 PHE 10 80.204 -0.724 -9.254 82 HD1 PHE 10 HD1 PHE 10 80.129 -3.081 -9.918 83 HD2 PHE 10 HD2 PHE 10 81.905 -1.868 -6.206 84 HE1 PHE 10 HE1 PHE 10 80.118 -5.437 -9.151 85 HE2 PHE 10 HE2 PHE 10 81.895 -4.226 -5.432 86 HZ PHE 10 HZ PHE 10 81.002 -6.011 -6.909 87 H VAL 11 H VAL 11 81.296 -1.822 -11.337 88 HA VAL 11 HA VAL 11 82.309 -4.395 -11.099 89 HB VAL 11 HB VAL 11 81.806 -4.641 -13.522 90 HG11 VAL 11 HG11 VAL 11 79.465 -4.400 -13.261 91 HG12 VAL 11 HG12 VAL 11 79.644 -3.031 -12.166 92 HG13 VAL 11 HG13 VAL 11 80.070 -4.656 -11.625 93 HG21 VAL 11 HG21 VAL 11 81.106 -1.702 -13.348 94 HG22 VAL 11 HG22 VAL 11 80.962 -2.735 -14.768 95 HG23 VAL 11 HG23 VAL 11 82.555 -2.320 -14.136 96 H GLN 12 H GLN 12 83.780 -1.543 -12.473 97 HA GLN 12 HA GLN 12 85.988 -3.143 -13.554 98 HB2 GLN 12 HB2 GLN 12 86.699 -1.132 -14.661 99 HB3 GLN 12 HB1 GLN 12 84.967 -1.341 -14.912 100 HG2 GLN 12 HG2 GLN 12 84.579 0.199 -12.949 101 HG3 GLN 12 HG1 GLN 12 86.315 0.520 -12.947 102 HE21 GLN 12 HE21 GLN 12 85.672 -0.020 -16.122 103 HE22 GLN 12 HE22 GLN 12 85.325 1.560 -16.626 104 H LYS 13 H LYS 13 85.333 -1.056 -10.811 105 HA LYS 13 HA LYS 13 88.224 -0.868 -10.259 106 HB2 LYS 13 HB2 LYS 13 85.870 0.584 -9.056 107 HB3 LYS 13 HB3 LYS 13 87.517 0.733 -8.462 108 HG2 LYS 13 HG2 LYS 13 88.027 1.216 -11.043 109 HG3 LYS 13 HG3 LYS 13 86.340 1.714 -11.032 110 HD2 LYS 13 HD2 LYS 13 87.391 3.709 -10.459 111 HD3 LYS 13 HD3 LYS 13 87.043 3.042 -8.864 112 HE2 LYS 13 HE2 LYS 13 89.314 2.126 -8.723 113 HE3 LYS 13 HE3 LYS 13 89.668 2.709 -10.349 114 HZ1 LYS 13 HZ1 LYS 13 90.229 4.651 -9.486 115 HZ2 LYS 13 HZ2 LYS 13 89.858 4.099 -7.923 116 HZ3 LYS 13 HZ3 LYS 13 88.662 4.848 -8.867 117 H CYS 14 H CYS 14 85.330 -1.420 -8.205 118 HA CYS 14 HA CYS 14 87.012 -2.737 -6.248 119 HB2 CYS 14 HB2 CYS 14 84.047 -2.582 -5.992 120 HB3 CYS 14 HB1 CYS 14 85.284 -2.432 -4.750 121 H ALA 15 H ALA 15 84.496 -3.819 -8.502 122 HA ALA 15 HA ALA 15 83.888 -6.281 -7.439 123 HB1 ALA 15 HB1 ALA 15 84.203 -5.346 -10.270 124 HB2 ALA 15 HB2 ALA 15 82.733 -5.776 -9.395 125 HB3 ALA 15 HB3 ALA 15 83.838 -7.039 -9.937 126 H GLN 16 H GLN 16 86.894 -5.250 -8.852 127 HA GLN 16 HA GLN 16 88.116 -7.584 -9.613 128 HB2 GLN 16 HB2 GLN 16 89.139 -5.077 -8.338 129 HB3 GLN 16 HB1 GLN 16 90.244 -6.429 -8.581 130 HG2 GLN 16 HG2 GLN 16 89.594 -6.482 -10.988 131 HG3 GLN 16 HG1 GLN 16 88.583 -5.063 -10.719 132 HE21 GLN 16 HE21 GLN 16 90.056 -3.314 -9.295 133 HE22 GLN 16 HE22 GLN 16 91.547 -2.983 -10.035 134 H CYS 17 H CYS 17 88.612 -6.215 -6.325 135 HA CYS 17 HA CYS 17 88.943 -9.001 -5.363 136 HB2 CYS 17 HB2 CYS 17 90.080 -6.806 -3.733 137 HB3 CYS 17 HB1 CYS 17 90.753 -8.383 -4.130 138 H HIS 18 H HSD 18 86.339 -8.025 -5.430 139 HA HIS 18 HA HSD 18 85.721 -8.084 -2.587 140 HB2 HIS 18 HB2 HSD 18 85.112 -5.689 -4.308 141 HB3 HIS 18 HB1 HSD 18 84.136 -6.078 -2.893 142 HD1 HIS 18 HD1 HSD 18 86.594 -7.162 -1.155 143 HD2 HIS 18 HD2 HSD 18 86.423 -3.493 -3.124 144 HE1 HIS 18 HE1 HSD 18 88.243 -5.637 0.022 145 H THR 19 H THR 19 83.180 -7.811 -2.381 146 HA THR 19 HA THR 19 81.875 -9.290 -4.581 147 HB THR 19 HB THR 19 80.820 -10.089 -2.012 148 HG1 THR 19 HG1 THR 19 83.333 -11.133 -2.197 149 HG21 THR 19 HG21 THR 19 81.223 -12.299 -2.889 150 HG22 THR 19 HG22 THR 19 82.397 -11.679 -4.049 151 HG23 THR 19 HG23 THR 19 80.687 -11.285 -4.228 152 H VAL 20 H VAL 20 81.549 -7.256 -1.723 153 HA VAL 20 HA VAL 20 79.832 -5.925 -0.966 154 HB VAL 20 HB VAL 20 79.180 -4.228 -2.551 155 HG11 VAL 20 HG11 VAL 20 81.362 -3.479 -3.214 156 HG12 VAL 20 HG12 VAL 20 81.982 -5.127 -3.256 157 HG13 VAL 20 HG13 VAL 20 81.573 -4.379 -1.713 158 HG21 VAL 20 HG21 VAL 20 78.701 -5.944 -4.401 159 HG22 VAL 20 HG22 VAL 20 80.430 -5.898 -4.733 160 HG23 VAL 20 HG23 VAL 20 79.461 -4.437 -4.902 161 H GLU 21 H GLU 21 78.959 -8.637 -1.616 162 HA GLU 21 HA GLU 21 76.117 -8.024 -2.177 163 HB2 GLU 21 HB2 GLU 21 75.866 -10.001 -3.472 164 HB3 GLU 21 HB3 GLU 21 77.312 -9.205 -4.089 165 HG2 GLU 21 HG2 GLU 21 78.591 -10.684 -2.380 166 HG3 GLU 21 HG3 GLU 21 77.111 -11.641 -2.329 167 H LYS 22 H LYS 22 74.827 -8.567 -0.562 168 HA LYS 22 HA LYS 22 75.563 -9.556 1.877 169 HB2 LYS 22 HB2 LYS 22 73.285 -8.607 1.075 170 HB3 LYS 22 HB3 LYS 22 72.885 -10.284 0.710 171 HG2 LYS 22 HG2 LYS 22 72.137 -10.165 2.903 172 HG3 LYS 22 HG3 LYS 22 73.796 -10.691 3.177 173 HD2 LYS 22 HD2 LYS 22 74.495 -8.368 3.556 174 HD3 LYS 22 HD3 LYS 22 72.857 -7.807 3.219 175 HE2 LYS 22 HE2 LYS 22 72.101 -9.351 5.122 176 HE3 LYS 22 HE3 LYS 22 73.807 -9.479 5.550 177 HZ1 LYS 22 HZ1 LYS 22 72.198 -7.573 6.472 178 HZ2 LYS 22 HZ2 LYS 22 72.817 -6.790 5.097 179 HZ3 LYS 22 HZ3 LYS 22 73.872 -7.374 6.293 180 H GLY 23 H GLY 23 75.594 -11.548 2.901 181 HA2 GLY 23 HA2 GLY 23 76.270 -13.761 3.009 182 HA3 GLY 23 HA3 GLY 23 74.782 -14.014 2.103 183 H GLY 24 H GLY 24 77.647 -12.297 0.949 184 HA2 GLY 24 HA2 GLY 24 77.737 -13.977 -1.413 185 HA3 GLY 24 HA3 GLY 24 78.755 -12.580 -1.078 186 H LYS 25 H LYS 25 80.756 -13.379 -1.395 187 HA LYS 25 HA LYS 25 81.754 -15.300 0.551 188 HB2 LYS 25 HB2 LYS 25 82.649 -16.850 -1.030 189 HB3 LYS 25 HB3 LYS 25 80.954 -16.628 -1.455 190 HG2 LYS 25 HG2 LYS 25 81.876 -14.734 -3.030 191 HG3 LYS 25 HG3 LYS 25 83.405 -15.594 -2.857 192 HD2 LYS 25 HD2 LYS 25 82.517 -16.666 -4.721 193 HD3 LYS 25 HD3 LYS 25 81.940 -17.717 -3.429 194 HE2 LYS 25 HE2 LYS 25 79.769 -16.634 -3.440 195 HE3 LYS 25 HE3 LYS 25 80.335 -15.415 -4.582 196 HZ1 LYS 25 HZ1 LYS 25 80.922 -17.757 -5.813 197 HZ2 LYS 25 HZ2 LYS 25 79.567 -16.786 -6.137 198 HZ3 LYS 25 HZ3 LYS 25 79.439 -18.098 -5.065 199 H HIS 26 H HIS 26 83.441 -14.275 1.383 200 HA HIS 26 HA HIS 26 84.771 -12.088 0.296 201 HB2 HIS 26 HB2 HIS 26 86.203 -14.024 2.091 202 HB3 HIS 26 HB1 HIS 26 86.258 -12.262 2.088 203 HD1 HIS 26 HD1 HIS 26 82.997 -12.124 1.884 204 HD2 HIS 26 HD2 HIS 26 85.273 -14.025 4.813 205 HE1 HIS 26 HE1 HIS 26 81.515 -12.314 3.929 206 HE2 HIS 26 HE2 HIS 26 82.889 -13.471 5.725 207 H LYS 27 H LYS 27 86.148 -11.876 -1.332 208 HA LYS 27 HA LYS 27 87.860 -14.161 -2.091 209 HB2 LYS 27 HB2 LYS 27 87.464 -13.282 -4.515 210 HB3 LYS 27 HB3 LYS 27 86.238 -14.310 -3.772 211 HG2 LYS 27 HG2 LYS 27 84.812 -12.484 -3.312 212 HG3 LYS 27 HG3 LYS 27 86.107 -11.306 -3.525 213 HD2 LYS 27 HD2 LYS 27 84.551 -11.343 -5.466 214 HD3 LYS 27 HD3 LYS 27 86.195 -11.791 -5.924 215 HE2 LYS 27 HE2 LYS 27 85.650 -14.078 -6.110 216 HE3 LYS 27 HE3 LYS 27 84.175 -13.895 -5.158 217 HZ1 LYS 27 HZ1 LYS 27 84.436 -12.393 -7.665 218 HZ2 LYS 27 HZ2 LYS 27 83.042 -12.999 -6.907 219 HZ3 LYS 27 HZ3 LYS 27 84.079 -14.050 -7.746 220 H THR 28 H THR 28 89.930 -13.574 -2.077 221 HA THR 28 HA THR 28 91.781 -12.201 -1.884 222 HB THR 28 HB THR 28 90.609 -10.668 -4.192 223 HG1 THR 28 HG1 THR 28 91.429 -12.451 -5.469 224 HG21 THR 28 HG21 THR 28 92.853 -10.442 -4.874 225 HG22 THR 28 HG22 THR 28 93.382 -11.807 -3.891 226 HG23 THR 28 HG23 THR 28 92.944 -10.283 -3.120 227 H GLY 29 H GLY 29 89.345 -11.374 -0.417 228 HA2 GLY 29 HA2 GLY 29 90.162 -9.099 0.843 229 HA3 GLY 29 HA3 GLY 29 89.215 -8.498 -0.515 230 HA PRO 30 HA PRO 30 86.496 -10.077 3.092 231 HB2 PRO 30 HB2 PRO 30 86.038 -7.764 4.469 232 HB3 PRO 30 HB1 PRO 30 87.388 -8.855 4.838 233 HG2 PRO 30 HG2 PRO 30 87.385 -6.313 3.279 234 HG3 PRO 30 HG1 PRO 30 88.567 -6.915 4.455 235 HD2 PRO 30 HD2 PRO 30 88.949 -7.085 1.746 236 HD3 PRO 30 HD1 PRO 30 89.641 -8.248 2.898 237 H ASN 31 H ASN 31 84.214 -9.323 3.546 238 HA ASN 31 HA ASN 31 83.031 -8.303 1.078 239 HB2 ASN 31 HB2 ASN 31 80.995 -9.200 1.864 240 HB3 ASN 31 HB1 ASN 31 82.210 -10.352 2.412 241 HD21 ASN 31 HD21 ASN 31 82.556 -10.568 4.692 242 HD22 ASN 31 HD22 ASN 31 81.617 -9.744 5.842 243 H LEU 32 H LEU 32 81.288 -6.669 1.212 244 HA LEU 32 HA LEU 32 81.843 -4.649 3.309 245 HB2 LEU 32 HB2 LEU 32 80.793 -4.096 0.527 246 HB3 LEU 32 HB3 LEU 32 81.317 -2.917 1.722 247 HG LEU 32 HG LEU 32 83.016 -4.856 0.144 248 HD11 LEU 32 HD11 LEU 32 84.053 -2.887 -0.694 249 HD12 LEU 32 HD12 LEU 32 83.371 -1.886 0.589 250 HD13 LEU 32 HD13 LEU 32 82.330 -2.516 -0.684 251 HD21 LEU 32 HD21 LEU 32 84.085 -5.068 2.208 252 HD22 LEU 32 HD22 LEU 32 83.590 -3.469 2.748 253 HD23 LEU 32 HD23 LEU 32 84.885 -3.639 1.569 254 H HIS 33 H HIS 33 79.950 -6.769 3.617 255 HA HIS 33 HA HIS 33 77.309 -5.998 2.965 256 HB2 HIS 33 HB2 HIS 33 78.222 -7.643 5.336 257 HB3 HIS 33 HB1 HIS 33 76.611 -7.633 4.619 258 HD1 HIS 33 HD1 HIS 33 78.449 -10.204 4.747 259 HD2 HIS 33 HD2 HIS 33 78.052 -7.701 1.437 260 HE1 HIS 33 HE1 HIS 33 79.093 -11.584 2.724 261 HE2 HIS 33 HE2 HIS 33 78.855 -10.073 0.698 262 H GLY 34 H GLY 34 75.805 -4.754 4.018 263 HA2 GLY 34 HA2 GLY 34 75.235 -2.821 5.207 264 HA3 GLY 34 HA3 GLY 34 75.534 -3.913 6.556 265 H LEU 35 H LEU 35 78.013 -2.863 4.339 266 HA LEU 35 HA LEU 35 79.969 -2.235 6.120 267 HB2 LEU 35 HB2 LEU 35 80.345 -2.297 3.720 268 HB3 LEU 35 HB3 LEU 35 79.336 -0.874 3.493 269 HG LEU 35 HG LEU 35 81.102 0.144 5.269 270 HD11 LEU 35 HD11 LEU 35 82.247 -2.233 5.096 271 HD12 LEU 35 HD12 LEU 35 83.233 -0.773 5.160 272 HD13 LEU 35 HD13 LEU 35 82.927 -1.559 3.615 273 HD21 LEU 35 HD21 LEU 35 81.780 -0.135 2.331 274 HD22 LEU 35 HD22 LEU 35 82.197 1.201 3.405 275 HD23 LEU 35 HD23 LEU 35 80.518 0.941 2.933 276 H PHE 36 H PHE 36 77.779 0.176 4.680 277 HA PHE 36 HA PHE 36 78.610 2.370 6.170 278 HB2 PHE 36 HB2 PHE 36 75.771 1.886 5.250 279 HB3 PHE 36 HB1 PHE 36 76.572 3.439 5.499 280 HD1 PHE 36 HD2 PHE 36 76.561 0.363 3.400 281 HD2 PHE 36 HD1 PHE 36 77.979 4.401 3.811 282 HE1 PHE 36 HE2 PHE 36 77.416 0.302 1.076 283 HE2 PHE 36 HE1 PHE 36 78.822 4.338 1.489 284 HZ PHE 36 HZ PHE 36 78.545 2.291 0.117 285 H GLY 37 H GLY 37 78.956 1.840 8.350 286 HA2 GLY 37 HA2 GLY 37 77.420 2.563 10.320 287 HA3 GLY 37 HA3 GLY 37 76.590 1.067 9.927 288 H ARG 38 H ARG 38 79.231 -0.246 9.245 289 HA ARG 38 HA ARG 38 79.843 -1.043 11.992 290 HB2 ARG 38 HB2 ARG 38 80.139 -2.235 9.313 291 HB3 ARG 38 HB3 ARG 38 81.469 -2.577 10.417 292 HG2 ARG 38 HG2 ARG 38 79.696 -3.248 12.133 293 HG3 ARG 38 HG3 ARG 38 78.532 -3.190 10.809 294 HD2 ARG 38 HD2 ARG 38 81.079 -4.778 10.541 295 HD3 ARG 38 HD3 ARG 38 79.681 -5.465 11.360 296 HE ARG 38 HE ARG 38 78.566 -4.646 9.068 297 HH11 ARG 38 HH21 ARG 38 81.538 -6.325 9.707 298 HH12 ARG 38 HH22 ARG 38 81.536 -7.171 8.197 299 HH21 ARG 38 HH11 ARG 38 78.563 -5.774 7.103 300 HH22 ARG 38 HH12 ARG 38 79.853 -6.867 6.731 301 H LYS 39 H LYS 39 81.900 -1.069 12.907 302 HA LYS 39 HA LYS 39 83.555 1.171 12.293 303 HB2 LYS 39 HB2 LYS 39 83.564 -1.028 14.301 304 HB3 LYS 39 HB3 LYS 39 85.080 -0.171 14.026 305 HG2 LYS 39 HG2 LYS 39 82.556 1.413 14.426 306 HG3 LYS 39 HG3 LYS 39 83.367 0.720 15.829 307 HD2 LYS 39 HD2 LYS 39 85.487 1.830 15.105 308 HD3 LYS 39 HD3 LYS 39 84.598 2.602 13.792 309 HE2 LYS 39 HE2 LYS 39 83.020 3.513 15.588 310 HE3 LYS 39 HE3 LYS 39 84.224 2.991 16.766 311 HZ1 LYS 39 HZ1 LYS 39 84.508 5.315 16.084 312 HZ2 LYS 39 HZ2 LYS 39 84.765 4.810 14.483 313 HZ3 LYS 39 HZ3 LYS 39 85.861 4.367 15.703 314 H THR 40 H THR 40 85.976 0.927 12.052 315 HA THR 40 HA THR 40 86.549 -0.477 9.664 316 HB THR 40 HB THR 40 88.942 0.192 10.210 317 HG1 THR 40 HG1 THR 40 87.642 1.606 12.286 318 HG21 THR 40 HG21 THR 40 87.836 1.669 8.777 319 HG22 THR 40 HG22 THR 40 88.250 2.720 10.133 320 HG23 THR 40 HG23 THR 40 86.615 2.078 9.983 321 H GLY 41 H GLY 41 87.704 -2.303 9.244 322 HA2 GLY 41 HA2 GLY 41 88.365 -4.475 9.583 323 HA3 GLY 41 HA3 GLY 41 89.297 -3.805 10.921 324 H GLN 42 H GLN 42 85.805 -4.266 10.355 325 HA GLN 42 HA GLN 42 85.639 -5.549 13.017 326 HB2 GLN 42 HB2 GLN 42 84.242 -3.567 12.799 327 HB3 GLN 42 HB1 GLN 42 83.495 -4.225 11.342 328 HG2 GLN 42 HG2 GLN 42 82.429 -5.974 12.546 329 HG3 GLN 42 HG1 GLN 42 83.435 -5.713 13.970 330 HE21 GLN 42 HE21 GLN 42 82.438 -2.763 12.525 331 HE22 GLN 42 HE22 GLN 42 81.158 -2.417 13.585 332 H ALA 43 H ALA 43 85.330 -6.112 9.642 333 HA ALA 43 HA ALA 43 83.572 -8.375 9.841 334 HB1 ALA 43 HB1 ALA 43 83.398 -7.743 7.686 335 HB2 ALA 43 HB2 ALA 43 84.905 -8.623 7.431 336 HB3 ALA 43 HB3 ALA 43 84.938 -6.886 7.734 337 HA PRO 44 HA PRO 44 87.024 -11.018 11.063 338 HB2 PRO 44 HB2 PRO 44 85.579 -13.168 11.813 339 HB3 PRO 44 HB1 PRO 44 85.606 -11.682 12.785 340 HG2 PRO 44 HG2 PRO 44 83.529 -12.657 10.879 341 HG3 PRO 44 HG1 PRO 44 83.332 -11.884 12.462 342 HD2 PRO 44 HD2 PRO 44 83.094 -10.552 10.047 343 HD3 PRO 44 HD1 PRO 44 83.503 -9.763 11.588 344 H GLY 45 H GLY 45 85.712 -10.877 8.237 345 HA2 GLY 45 HA2 GLY 45 85.826 -13.603 7.283 346 HA3 GLY 45 HA3 GLY 45 85.606 -12.159 6.301 347 H PHE 46 H PHE 46 87.871 -10.707 7.014 348 HA PHE 46 HA PHE 46 90.080 -12.439 6.061 349 HB2 PHE 46 HB2 PHE 46 89.211 -10.855 4.329 350 HB3 PHE 46 HB1 PHE 46 89.661 -9.519 5.389 351 HD1 PHE 46 HD2 PHE 46 91.085 -12.593 3.790 352 HD2 PHE 46 HD1 PHE 46 91.837 -8.644 5.304 353 HE1 PHE 46 HE2 PHE 46 93.417 -12.718 2.958 354 HE2 PHE 46 HE1 PHE 46 94.169 -8.769 4.471 355 HZ PHE 46 HZ PHE 46 94.960 -10.806 3.298 356 H THR 47 H THR 47 92.210 -11.831 6.732 357 HA THR 47 HA THR 47 92.335 -11.003 9.465 358 HB THR 47 HB THR 47 94.672 -11.223 7.567 359 HG1 THR 47 HG1 THR 47 93.282 -13.254 8.976 360 HG21 THR 47 HG21 THR 47 94.363 -11.767 10.533 361 HG22 THR 47 HG22 THR 47 95.079 -10.313 9.838 362 HG23 THR 47 HG23 THR 47 95.861 -11.877 9.607 363 H TYR 48 H TYR 48 91.346 -8.910 9.319 364 HA TYR 48 HA TYR 48 92.245 -6.770 7.768 365 HB2 TYR 48 HB2 TYR 48 90.743 -7.048 10.329 366 HB3 TYR 48 HB3 TYR 48 91.359 -5.451 9.913 367 HD1 TYR 48 HD2 TYR 48 90.708 -4.371 7.778 368 HD2 TYR 48 HD1 TYR 48 88.932 -8.048 9.102 369 HE1 TYR 48 HE2 TYR 48 88.853 -4.049 6.174 370 HE2 TYR 48 HE1 TYR 48 87.073 -7.728 7.493 371 HH TYR 48 HH TYR 48 86.420 -4.824 6.006 372 H THR 49 H THR 49 93.536 -4.952 8.298 373 HA THR 49 HA THR 49 95.978 -5.679 9.685 374 HB THR 49 HB THR 49 96.800 -3.509 8.877 375 HG1 THR 49 HG1 THR 49 95.468 -2.034 8.162 376 HG21 THR 49 HG21 THR 49 97.087 -5.167 7.246 377 HG22 THR 49 HG22 THR 49 96.190 -3.928 6.369 378 HG23 THR 49 HG23 THR 49 95.352 -5.350 6.987 379 H ASP 50 H ASP 50 96.930 -4.406 11.370 380 HA ASP 50 HA ASP 50 95.358 -3.946 13.590 381 HB2 ASP 50 HB2 ASP 50 97.273 -2.433 14.342 382 HB3 ASP 50 HB1 ASP 50 97.704 -4.086 13.903 383 H ALA 51 H ALA 51 96.460 -1.573 11.188 384 HA ALA 51 HA ALA 51 95.397 0.735 12.309 385 HB1 ALA 51 HB1 ALA 51 95.585 1.720 10.163 386 HB2 ALA 51 HB2 ALA 51 95.368 0.172 9.347 387 HB3 ALA 51 HB3 ALA 51 96.859 0.503 10.229 388 H ASN 52 H ASN 52 93.806 -1.737 10.341 389 HA ASN 52 HA ASN 52 91.306 -0.277 10.244 390 HB2 ASN 52 HB2 ASN 52 92.328 -2.887 9.217 391 HB3 ASN 52 HB1 ASN 52 90.587 -2.715 9.422 392 HD21 ASN 52 HD21 ASN 52 90.099 -2.602 7.151 393 HD22 ASN 52 HD22 ASN 52 90.580 -1.288 6.188 394 H LYS 53 H LYS 53 92.795 -2.694 12.256 395 HA LYS 53 HA LYS 53 90.315 -3.417 13.582 396 HB2 LYS 53 HB2 LYS 53 91.684 -5.266 13.601 397 HB3 LYS 53 HB3 LYS 53 93.157 -4.305 13.643 398 HG2 LYS 53 HG2 LYS 53 92.885 -3.850 15.993 399 HG3 LYS 53 HG3 LYS 53 91.270 -4.562 15.994 400 HD2 LYS 53 HD2 LYS 53 92.328 -6.746 15.292 401 HD3 LYS 53 HD3 LYS 53 93.902 -5.996 15.560 402 HE2 LYS 53 HE2 LYS 53 93.154 -5.463 17.913 403 HE3 LYS 53 HE3 LYS 53 91.718 -6.442 17.612 404 HZ1 LYS 53 HZ1 LYS 53 92.930 -8.187 18.196 405 HZ2 LYS 53 HZ2 LYS 53 94.363 -7.275 18.236 406 HZ3 LYS 53 HZ3 LYS 53 93.840 -7.978 16.780 407 H ASN 54 H ASN 54 92.613 -0.960 13.734 408 HA ASN 54 HA ASN 54 92.724 -0.449 16.516 409 HB2 ASN 54 HB2 ASN 54 93.849 1.468 15.935 410 HB3 ASN 54 HB1 ASN 54 94.075 0.535 14.461 411 HD21 ASN 54 HD21 ASN 54 91.387 0.874 13.405 412 HD22 ASN 54 HD22 ASN 54 91.205 2.509 12.989 413 H LYS 55 H LYS 55 90.291 -0.038 14.171 414 HA LYS 55 HA LYS 55 88.178 0.891 14.229 415 HB2 LYS 55 HB2 LYS 55 88.687 0.485 17.179 416 HB3 LYS 55 HB3 LYS 55 87.140 1.031 16.534 417 HG2 LYS 55 HG2 LYS 55 87.122 -1.014 15.060 418 HG3 LYS 55 HG3 LYS 55 88.552 -1.580 15.924 419 HD2 LYS 55 HD2 LYS 55 85.879 -0.926 17.201 420 HD3 LYS 55 HD3 LYS 55 86.481 -2.551 16.874 421 HE2 LYS 55 HE2 LYS 55 87.124 -2.280 19.096 422 HE3 LYS 55 HE3 LYS 55 88.575 -1.729 18.260 423 HZ1 LYS 55 HZ1 LYS 55 86.837 0.440 18.461 424 HZ2 LYS 55 HZ2 LYS 55 88.333 0.224 19.237 425 HZ3 LYS 55 HZ3 LYS 55 86.899 -0.287 19.992 426 H GLY 56 H GLY 56 89.638 2.812 13.484 427 HA2 GLY 56 HA2 GLY 56 89.787 5.003 15.392 428 HA3 GLY 56 HA3 GLY 56 90.331 5.034 13.719 429 H ILE 57 H ILE 57 87.936 4.160 12.485 430 HA ILE 57 HA ILE 57 85.893 6.110 13.283 431 HB ILE 57 HB ILE 57 85.770 7.120 11.093 432 HG12 ILE 57 HG12 ILE 57 87.738 6.488 9.479 433 HG13 ILE 57 HG13 ILE 57 87.808 4.998 10.416 434 HG21 ILE 57 HG21 ILE 57 87.823 8.361 11.113 435 HG22 ILE 57 HG22 ILE 57 88.691 7.030 11.878 436 HG23 ILE 57 HG23 ILE 57 87.477 7.929 12.788 437 HD11 ILE 57 HD11 ILE 57 86.164 5.426 8.244 438 HD12 ILE 57 HD12 ILE 57 85.074 5.731 9.592 439 HD13 ILE 57 HD13 ILE 57 85.913 4.187 9.468 440 H THR 58 H THR 58 83.937 5.883 11.759 441 HA THR 58 HA THR 58 83.485 3.000 11.302 442 HB THR 58 HB THR 58 81.552 5.222 11.982 443 HG1 THR 58 HG1 THR 58 82.102 4.575 13.891 444 HG21 THR 58 HG21 THR 58 80.409 3.757 10.471 445 HG22 THR 58 HG22 THR 58 79.905 3.288 12.094 446 HG23 THR 58 HG23 THR 58 81.104 2.328 11.232 447 H TRP 59 H TRP 59 82.671 2.270 9.386 448 HA TRP 59 HA TRP 59 83.095 3.819 7.057 449 HB2 TRP 59 HB2 TRP 59 81.261 1.427 7.194 450 HB3 TRP 59 HB1 TRP 59 82.224 1.993 5.830 451 HD1 TRP 59 HD1 TRP 59 84.992 2.388 7.251 452 HE1 TRP 59 HE1 TRP 59 86.345 0.329 8.020 453 HE3 TRP 59 HE3 TRP 59 81.263 -1.082 7.542 454 HZ2 TRP 59 HZ2 TRP 59 85.892 -2.416 8.702 455 HZ3 TRP 59 HZ3 TRP 59 81.748 -3.404 8.245 456 HH2 TRP 59 HH2 TRP 59 84.058 -4.073 8.826 457 H LYS 60 H LYS 60 81.771 5.063 5.864 458 HA LYS 60 HA LYS 60 78.897 5.073 6.264 459 HB2 LYS 60 HB2 LYS 60 80.616 7.452 7.015 460 HB3 LYS 60 HB3 LYS 60 78.872 7.533 6.775 461 HG2 LYS 60 HG2 LYS 60 78.700 5.647 8.507 462 HG3 LYS 60 HG3 LYS 60 80.386 5.992 8.887 463 HD2 LYS 60 HD2 LYS 60 78.289 8.168 8.868 464 HD3 LYS 60 HD3 LYS 60 78.609 7.197 10.305 465 HE2 LYS 60 HE2 LYS 60 81.012 7.849 10.169 466 HE3 LYS 60 HE3 LYS 60 80.622 8.899 8.807 467 HZ1 LYS 60 HZ1 LYS 60 79.882 10.453 10.181 468 HZ2 LYS 60 HZ2 LYS 60 80.475 9.534 11.481 469 HZ3 LYS 60 HZ3 LYS 60 78.860 9.362 10.982 470 H GLU 61 H GLU 61 78.421 7.577 5.040 471 HA GLU 61 HA GLU 61 78.969 6.884 2.302 472 HB2 GLU 61 HB2 GLU 61 76.853 8.004 3.191 473 HB3 GLU 61 HB3 GLU 61 77.803 9.487 3.292 474 HG2 GLU 61 HG2 GLU 61 78.303 9.376 0.907 475 HG3 GLU 61 HG3 GLU 61 77.464 7.831 0.776 476 H GLU 62 H GLU 62 79.714 9.783 4.262 477 HA GLU 62 HA GLU 62 81.549 10.846 2.367 478 HB2 GLU 62 HB2 GLU 62 81.423 11.438 5.331 479 HB3 GLU 62 HB3 GLU 62 82.091 12.469 4.065 480 HG2 GLU 62 HG2 GLU 62 79.804 12.518 3.007 481 HG3 GLU 62 HG3 GLU 62 79.190 11.679 4.431 482 H THR 63 H THR 63 82.006 9.046 5.405 483 HA THR 63 HA THR 63 84.762 9.080 5.587 484 HB THR 63 HB THR 63 84.569 6.892 6.722 485 HG1 THR 63 HG1 THR 63 82.476 6.687 5.121 486 HG21 THR 63 HG21 THR 63 82.473 8.982 7.301 487 HG22 THR 63 HG22 THR 63 84.048 8.786 8.067 488 HG23 THR 63 HG23 THR 63 82.768 7.612 8.368 489 H LEU 64 H LEU 64 82.686 7.088 3.551 490 HA LEU 64 HA LEU 64 84.786 5.451 2.532 491 HB2 LEU 64 HB2 LEU 64 81.924 5.798 2.066 492 HB3 LEU 64 HB3 LEU 64 82.810 5.465 0.586 493 HG LEU 64 HG LEU 64 83.171 3.811 3.092 494 HD11 LEU 64 HD11 LEU 64 81.036 3.126 2.723 495 HD12 LEU 64 HD12 LEU 64 81.725 2.238 1.363 496 HD13 LEU 64 HD13 LEU 64 80.989 3.817 1.105 497 HD21 LEU 64 HD21 LEU 64 84.980 3.421 1.616 498 HD22 LEU 64 HD22 LEU 64 83.963 3.569 0.185 499 HD23 LEU 64 HD23 LEU 64 83.843 2.139 1.207 500 H MET 65 H MET 65 83.374 8.538 1.581 501 HA MET 65 HA MET 65 84.456 8.703 -1.012 502 HB2 MET 65 HB2 MET 65 83.818 10.902 0.960 503 HB3 MET 65 HB1 MET 65 84.197 11.163 -0.743 504 HG2 MET 65 HG2 MET 65 82.277 9.916 -1.451 505 HG3 MET 65 HG1 MET 65 81.976 9.336 0.185 506 HE1 MET 65 HE1 MET 65 80.443 11.407 -2.293 507 HE2 MET 65 HE2 MET 65 82.027 12.178 -2.284 508 HE3 MET 65 HE3 MET 65 80.602 13.102 -1.814 509 H GLU 66 H GLU 66 85.734 10.156 2.001 510 HA GLU 66 HA GLU 66 88.158 11.042 0.870 511 HB2 GLU 66 HB2 GLU 66 87.556 10.226 3.726 512 HB3 GLU 66 HB3 GLU 66 88.979 11.128 3.207 513 HG2 GLU 66 HG2 GLU 66 86.125 12.044 2.762 514 HG3 GLU 66 HG3 GLU 66 87.150 12.596 4.086 515 H TYR 67 H TYR 67 87.104 7.961 2.094 516 HA TYR 67 HA TYR 67 89.731 6.764 2.156 517 HB2 TYR 67 HB2 TYR 67 88.075 5.900 3.664 518 HB3 TYR 67 HB3 TYR 67 86.930 5.657 2.351 519 HD1 TYR 67 HD1 TYR 67 89.982 4.393 3.972 520 HD2 TYR 67 HD2 TYR 67 87.156 3.794 0.793 521 HE1 TYR 67 HE1 TYR 67 90.853 2.095 3.630 522 HE2 TYR 67 HE2 TYR 67 88.029 1.498 0.450 523 HH TYR 67 HH TYR 67 90.350 0.320 0.943 524 H LEU 68 H LEU 68 87.169 7.184 -0.155 525 HA LEU 68 HA LEU 68 88.075 5.133 -1.966 526 HB2 LEU 68 HB2 LEU 68 85.875 7.102 -1.848 527 HB3 LEU 68 HB3 LEU 68 86.438 6.721 -3.469 528 HG LEU 68 HG LEU 68 85.687 4.626 -1.412 529 HD11 LEU 68 HD11 LEU 68 83.637 5.650 -1.875 530 HD12 LEU 68 HD12 LEU 68 83.693 4.368 -3.081 531 HD13 LEU 68 HD13 LEU 68 84.078 6.028 -3.539 532 HD21 LEU 68 HD21 LEU 68 85.415 3.438 -3.806 533 HD22 LEU 68 HD22 LEU 68 86.940 3.442 -2.928 534 HD23 LEU 68 HD23 LEU 68 86.670 4.597 -4.227 535 H GLU 69 H GLU 69 88.900 8.428 -1.372 536 HA GLU 69 HA GLU 69 90.117 8.739 -4.026 537 HB2 GLU 69 HB2 GLU 69 90.208 11.026 -3.610 538 HB3 GLU 69 HB3 GLU 69 88.754 10.555 -2.739 539 HG2 GLU 69 HG2 GLU 69 89.772 11.742 -1.055 540 HG3 GLU 69 HG3 GLU 69 90.531 10.181 -0.759 541 H ASN 70 H ASN 70 90.917 7.646 -0.954 542 HA ASN 70 HA ASN 70 93.643 7.200 -1.623 543 HB2 ASN 70 HB2 ASN 70 93.411 9.752 -0.953 544 HB3 ASN 70 HB1 ASN 70 93.440 9.102 0.681 545 HD21 ASN 70 HD21 ASN 70 95.265 6.963 0.378 546 HD22 ASN 70 HD22 ASN 70 96.782 7.584 -0.058 547 HA PRO 71 HA PRO 71 91.382 4.506 1.505 548 HB2 PRO 71 HB2 PRO 71 93.097 2.587 -0.018 549 HB3 PRO 71 HB1 PRO 71 91.416 2.417 0.520 550 HG2 PRO 71 HG2 PRO 71 92.019 2.927 -2.023 551 HG3 PRO 71 HG1 PRO 71 90.586 3.625 -1.250 552 HD2 PRO 71 HD2 PRO 71 93.156 4.946 -1.985 553 HD3 PRO 71 HD1 PRO 71 91.521 5.633 -1.883 554 H LYS 72 H LYS 72 94.778 4.589 0.482 555 HA LYS 72 HA LYS 72 95.765 3.298 2.846 556 HB2 LYS 72 HB2 LYS 72 96.926 3.269 0.639 557 HB3 LYS 72 HB3 LYS 72 97.277 4.983 0.846 558 HG2 LYS 72 HG2 LYS 72 99.105 4.442 2.055 559 HG3 LYS 72 HG3 LYS 72 98.057 3.714 3.270 560 HD2 LYS 72 HD2 LYS 72 98.947 2.240 0.776 561 HD3 LYS 72 HD3 LYS 72 99.833 2.172 2.299 562 HE2 LYS 72 HE2 LYS 72 96.926 1.384 1.924 563 HE3 LYS 72 HE3 LYS 72 98.278 0.265 2.100 564 HZ1 LYS 72 HZ1 LYS 72 97.185 2.150 4.098 565 HZ2 LYS 72 HZ2 LYS 72 98.739 1.483 4.258 566 HZ3 LYS 72 HZ3 LYS 72 97.374 0.470 4.228 567 H LYS 73 H LYS 73 95.785 6.673 1.708 568 HA LYS 73 HA LYS 73 97.160 7.716 3.927 569 HB2 LYS 73 HB2 LYS 73 96.886 8.898 1.767 570 HB3 LYS 73 HB3 LYS 73 95.183 9.144 2.143 571 HG2 LYS 73 HG2 LYS 73 97.005 9.981 4.309 572 HG3 LYS 73 HG3 LYS 73 97.207 10.895 2.816 573 HD2 LYS 73 HD2 LYS 73 94.918 11.573 2.803 574 HD3 LYS 73 HD3 LYS 73 94.492 10.408 4.058 575 HE2 LYS 73 HE2 LYS 73 95.591 11.642 5.745 576 HE3 LYS 73 HE3 LYS 73 96.527 12.575 4.575 577 HZ1 LYS 73 HZ1 LYS 73 94.273 13.414 3.783 578 HZ2 LYS 73 HZ2 LYS 73 94.858 14.016 5.260 579 HZ3 LYS 73 HZ3 LYS 73 93.661 12.812 5.246 580 H TYR 74 H TYR 74 93.745 7.020 3.436 581 HA TYR 74 HA TYR 74 92.785 8.582 5.605 582 HB2 TYR 74 HB2 TYR 74 91.529 7.379 3.603 583 HB3 TYR 74 HB3 TYR 74 91.360 6.087 4.785 584 HD1 TYR 74 HD1 TYR 74 91.071 9.831 4.639 585 HD2 TYR 74 HD2 TYR 74 89.455 6.145 6.143 586 HE1 TYR 74 HE1 TYR 74 89.226 11.081 5.725 587 HE2 TYR 74 HE2 TYR 74 87.613 7.397 7.230 588 HH TYR 74 HH TYR 74 87.305 10.921 6.837 589 H ILE 75 H ILE 75 93.293 5.044 5.373 590 HA ILE 75 HA ILE 75 93.752 5.024 8.301 591 HB ILE 75 HB ILE 75 92.618 2.691 6.765 592 HG12 ILE 75 HG12 ILE 75 91.120 4.934 8.158 593 HG13 ILE 75 HG13 ILE 75 91.095 4.582 6.432 594 HG21 ILE 75 HG21 ILE 75 92.374 3.483 9.681 595 HG22 ILE 75 HG22 ILE 75 93.645 2.425 9.071 596 HG23 ILE 75 HG23 ILE 75 91.956 1.931 8.953 597 HD11 ILE 75 HD11 ILE 75 90.058 2.812 8.657 598 HD12 ILE 75 HD12 ILE 75 90.188 2.304 6.972 599 HD13 ILE 75 HD13 ILE 75 89.105 3.624 7.415 600 HA PRO 76 HA PRO 76 97.630 3.825 5.867 601 HB2 PRO 76 HB2 PRO 76 98.525 4.601 8.628 602 HB3 PRO 76 HB1 PRO 76 99.312 4.901 7.066 603 HG2 PRO 76 HG2 PRO 76 97.933 6.808 8.322 604 HG3 PRO 76 HG1 PRO 76 97.933 6.665 6.556 605 HD2 PRO 76 HD2 PRO 76 95.748 6.078 8.474 606 HD3 PRO 76 HD1 PRO 76 95.657 6.460 6.742 607 H GLY 77 H GLY 77 98.239 1.742 5.795 608 HA2 GLY 77 HA2 GLY 77 99.220 -0.176 6.946 609 HA3 GLY 77 HA3 GLY 77 98.085 0.109 8.263 610 H THR 78 H THR 78 95.919 0.718 6.284 611 HA THR 78 HA THR 78 94.665 -1.767 6.190 612 HB THR 78 HB THR 78 93.525 0.431 5.918 613 HG1 THR 78 HG1 THR 78 92.868 -0.937 3.606 614 HG21 THR 78 HG21 THR 78 95.290 1.260 4.282 615 HG22 THR 78 HG22 THR 78 93.617 1.598 3.840 616 HG23 THR 78 HG23 THR 78 94.486 0.277 3.060 617 H LYS 79 H LYS 79 94.498 -3.382 4.667 618 HA LYS 79 HA LYS 79 96.651 -3.475 2.701 619 HB2 LYS 79 HB2 LYS 79 95.785 -5.386 4.309 620 HB3 LYS 79 HB3 LYS 79 94.639 -5.669 3.002 621 HG2 LYS 79 HG2 LYS 79 96.354 -6.141 1.440 622 HG3 LYS 79 HG3 LYS 79 97.601 -5.420 2.458 623 HD2 LYS 79 HD2 LYS 79 97.276 -7.203 4.127 624 HD3 LYS 79 HD3 LYS 79 96.044 -7.935 3.099 625 HE2 LYS 79 HE2 LYS 79 98.964 -7.541 2.383 626 HE3 LYS 79 HE3 LYS 79 98.181 -9.077 2.754 627 HZ1 LYS 79 HZ1 LYS 79 96.590 -8.325 0.849 628 HZ2 LYS 79 HZ2 LYS 79 98.073 -9.070 0.488 629 HZ3 LYS 79 HZ3 LYS 79 97.918 -7.382 0.375 630 H MET 80 H MET 80 96.004 -2.019 1.106 631 HA MET 80 HA MET 80 94.418 -3.042 -0.978 632 HB2 MET 80 HB2 MET 80 92.475 -2.585 0.370 633 HB3 MET 80 HB1 MET 80 93.061 -0.968 0.760 634 HG2 MET 80 HG2 MET 80 92.739 -0.199 -1.468 635 HG3 MET 80 HG1 MET 80 92.555 -1.838 -2.090 636 HE1 MET 80 HE1 MET 80 89.247 0.482 -2.236 637 HE2 MET 80 HE2 MET 80 90.920 0.458 -2.785 638 HE3 MET 80 HE3 MET 80 90.502 1.289 -1.290 639 H ILE 81 H ILE 81 96.105 -2.377 -2.259 640 HA ILE 81 HA ILE 81 96.633 0.531 -2.406 641 HB ILE 81 HB ILE 81 98.316 -1.872 -3.133 642 HG12 ILE 81 HG12 ILE 81 99.934 -0.689 -1.625 643 HG13 ILE 81 HG13 ILE 81 98.691 0.516 -1.295 644 HG21 ILE 81 HG21 ILE 81 98.593 1.024 -3.949 645 HG22 ILE 81 HG22 ILE 81 98.681 -0.412 -4.970 646 HG23 ILE 81 HG23 ILE 81 99.991 -0.047 -3.848 647 HD11 ILE 81 HD11 ILE 81 97.479 -0.902 0.036 648 HD12 ILE 81 HD12 ILE 81 99.047 -1.675 0.244 649 HD13 ILE 81 HD13 ILE 81 97.893 -2.327 -0.917 650 H PHE 82 H PHE 82 95.104 1.251 -3.827 651 HA PHE 82 HA PHE 82 95.390 0.363 -6.602 652 HB2 PHE 82 HB2 PHE 82 93.483 -0.917 -5.382 653 HB3 PHE 82 HB1 PHE 82 92.614 0.615 -5.463 654 HD1 PHE 82 HD1 PHE 82 94.509 -1.811 -7.594 655 HD2 PHE 82 HD2 PHE 82 91.468 1.218 -7.429 656 HE1 PHE 82 HE1 PHE 82 93.916 -2.277 -9.956 657 HE2 PHE 82 HE2 PHE 82 90.875 0.751 -9.792 658 HZ PHE 82 HZ PHE 82 92.099 -0.996 -11.055 659 H ALA 83 H ALA 83 94.680 1.912 -8.126 660 HA ALA 83 HA ALA 83 95.123 4.582 -7.480 661 HB1 ALA 83 HB1 ALA 83 94.458 5.101 -9.679 662 HB2 ALA 83 HB2 ALA 83 93.325 3.751 -9.749 663 HB3 ALA 83 HB3 ALA 83 95.062 3.448 -9.793 664 H GLY 84 H GLY 84 93.992 5.735 -6.050 665 HA2 GLY 84 HA2 GLY 84 91.361 5.263 -5.214 666 HA3 GLY 84 HA3 GLY 84 92.223 6.787 -5.019 667 H ILE 85 H ILE 85 89.775 7.342 -5.373 668 HA ILE 85 HA ILE 85 88.967 7.396 -8.167 669 HB ILE 85 HB ILE 85 87.716 8.494 -5.646 670 HG12 ILE 85 HG12 ILE 85 87.850 5.927 -6.273 671 HG13 ILE 85 HG13 ILE 85 86.341 6.609 -5.674 672 HG21 ILE 85 HG21 ILE 85 86.945 9.944 -7.350 673 HG22 ILE 85 HG22 ILE 85 85.684 8.718 -7.215 674 HG23 ILE 85 HG23 ILE 85 86.851 8.639 -8.533 675 HD11 ILE 85 HD11 ILE 85 86.891 6.575 -8.631 676 HD12 ILE 85 HD12 ILE 85 85.343 6.613 -7.788 677 HD13 ILE 85 HD13 ILE 85 86.290 5.127 -7.825 678 H LYS 86 H LYS 86 88.416 9.422 -9.259 679 HA LYS 86 HA LYS 86 90.403 11.499 -8.644 680 HB2 LYS 86 HB2 LYS 86 90.001 10.293 -10.973 681 HB3 LYS 86 HB3 LYS 86 88.761 11.532 -11.143 682 HG2 LYS 86 HG2 LYS 86 90.587 12.666 -12.018 683 HG3 LYS 86 HG3 LYS 86 90.720 13.134 -10.323 684 HD2 LYS 86 HD2 LYS 86 92.289 11.218 -9.965 685 HD3 LYS 86 HD3 LYS 86 92.221 10.884 -11.695 686 HE2 LYS 86 HE2 LYS 86 93.031 13.206 -12.133 687 HE3 LYS 86 HE3 LYS 86 93.204 13.441 -10.393 688 HZ1 LYS 86 HZ1 LYS 86 94.464 11.052 -10.997 689 HZ2 LYS 86 HZ2 LYS 86 95.194 12.520 -10.550 690 HZ3 LYS 86 HZ3 LYS 86 94.960 12.149 -12.192 691 H LYS 87 H LYS 87 87.126 11.601 -10.085 692 HA LYS 87 HA LYS 87 86.687 14.217 -8.899 693 HB2 LYS 87 HB2 LYS 87 84.673 12.594 -10.443 694 HB3 LYS 87 HB3 LYS 87 84.761 14.345 -10.264 695 HG2 LYS 87 HG2 LYS 87 87.029 14.216 -11.434 696 HG3 LYS 87 HG3 LYS 87 86.619 12.548 -11.835 697 HD2 LYS 87 HD2 LYS 87 85.796 13.619 -13.719 698 HD3 LYS 87 HD3 LYS 87 84.362 13.665 -12.695 699 HE2 LYS 87 HE2 LYS 87 85.181 15.940 -11.872 700 HE3 LYS 87 HE3 LYS 87 86.359 15.885 -13.183 701 HZ1 LYS 87 HZ1 LYS 87 84.508 17.017 -14.033 702 HZ2 LYS 87 HZ2 LYS 87 83.406 15.901 -13.380 703 HZ3 LYS 87 HZ3 LYS 87 84.398 15.454 -14.684 704 H LYS 88 H LYS 88 84.666 14.711 -7.748 705 HA LYS 88 HA LYS 88 84.324 12.972 -5.505 706 HB2 LYS 88 HB2 LYS 88 84.105 15.501 -5.489 707 HB3 LYS 88 HB3 LYS 88 82.540 15.286 -6.275 708 HG2 LYS 88 HG2 LYS 88 81.998 13.661 -4.342 709 HG3 LYS 88 HG3 LYS 88 83.398 14.359 -3.530 710 HD2 LYS 88 HD2 LYS 88 81.736 15.772 -2.743 711 HD3 LYS 88 HD3 LYS 88 82.222 16.652 -4.191 712 HE2 LYS 88 HE2 LYS 88 80.396 15.585 -5.460 713 HE3 LYS 88 HE3 LYS 88 79.914 14.690 -4.020 714 HZ1 LYS 88 HZ1 LYS 88 79.661 17.556 -4.601 715 HZ2 LYS 88 HZ2 LYS 88 79.842 17.062 -2.986 716 HZ3 LYS 88 HZ3 LYS 88 78.534 16.493 -3.910 717 H THR 89 H THR 89 82.172 13.946 -8.188 718 HA THR 89 HA THR 89 79.940 12.451 -7.505 719 HB THR 89 HB THR 89 79.463 12.357 -9.958 720 HG1 THR 89 HG1 THR 89 80.951 13.068 -11.356 721 HG21 THR 89 HG21 THR 89 78.947 14.336 -8.481 722 HG22 THR 89 HG22 THR 89 79.167 14.742 -10.184 723 HG23 THR 89 HG23 THR 89 80.459 15.061 -9.027 724 H GLU 90 H GLU 90 83.009 11.390 -8.766 725 HA GLU 90 HA GLU 90 82.157 8.820 -9.664 726 HB2 GLU 90 HB2 GLU 90 84.823 10.001 -8.909 727 HB3 GLU 90 HB3 GLU 90 84.667 8.282 -9.265 728 HG2 GLU 90 HG2 GLU 90 83.708 8.819 -11.466 729 HG3 GLU 90 HG3 GLU 90 83.837 10.540 -11.110 730 H ARG 91 H ARG 91 83.353 10.131 -6.618 731 HA ARG 91 HA ARG 91 83.392 7.617 -5.235 732 HB2 ARG 91 HB2 ARG 91 83.248 10.424 -4.099 733 HB3 ARG 91 HB3 ARG 91 83.734 8.968 -3.236 734 HG2 ARG 91 HG2 ARG 91 85.602 8.692 -4.891 735 HG3 ARG 91 HG3 ARG 91 85.170 10.266 -5.561 736 HD2 ARG 91 HD2 ARG 91 85.325 10.678 -2.783 737 HD3 ARG 91 HD3 ARG 91 86.708 9.659 -3.172 738 HE ARG 91 HE ARG 91 86.795 11.584 -5.097 739 HH11 ARG 91 HH21 ARG 91 86.546 11.601 -1.642 740 HH12 ARG 91 HH22 ARG 91 87.353 13.122 -1.456 741 HH21 ARG 91 HH11 ARG 91 87.856 13.575 -4.856 742 HH22 ARG 91 HH12 ARG 91 88.095 14.238 -3.274 743 H GLU 92 H GLU 92 81.195 10.432 -5.231 744 HA GLU 92 HA GLU 92 79.293 9.413 -3.443 745 HB2 GLU 92 HB2 GLU 92 79.431 11.774 -4.378 746 HB3 GLU 92 HB3 GLU 92 78.649 11.151 -5.831 747 HG2 GLU 92 HG2 GLU 92 76.830 10.231 -4.297 748 HG3 GLU 92 HG3 GLU 92 77.549 11.203 -3.014 749 H ASP 93 H ASP 93 79.281 9.320 -7.020 750 HA ASP 93 HA ASP 93 76.978 7.737 -7.306 751 HB2 ASP 93 HB2 ASP 93 79.430 7.956 -9.069 752 HB3 ASP 93 HB1 ASP 93 77.936 7.149 -9.541 753 H LEU 94 H LEU 94 80.412 6.790 -7.252 754 HA LEU 94 HA LEU 94 80.094 4.030 -7.472 755 HB2 LEU 94 HB2 LEU 94 82.292 5.081 -7.602 756 HB3 LEU 94 HB3 LEU 94 82.163 5.592 -5.921 757 HG LEU 94 HG LEU 94 82.133 3.283 -5.165 758 HD11 LEU 94 HD11 LEU 94 82.695 1.557 -7.060 759 HD12 LEU 94 HD12 LEU 94 81.957 2.759 -8.116 760 HD13 LEU 94 HD13 LEU 94 81.022 2.047 -6.802 761 HD21 LEU 94 HD21 LEU 94 84.344 3.659 -7.203 762 HD22 LEU 94 HD22 LEU 94 84.403 2.671 -5.746 763 HD23 LEU 94 HD23 LEU 94 84.323 4.426 -5.615 764 H ILE 95 H ILE 95 79.933 6.135 -4.660 765 HA ILE 95 HA ILE 95 79.700 3.991 -2.796 766 HB ILE 95 HB ILE 95 79.411 6.967 -2.630 767 HG12 ILE 95 HG12 ILE 95 81.085 5.359 -0.770 768 HG13 ILE 95 HG13 ILE 95 81.555 5.279 -2.462 769 HG21 ILE 95 HG21 ILE 95 78.444 4.903 -0.671 770 HG22 ILE 95 HG22 ILE 95 77.722 6.452 -1.101 771 HG23 ILE 95 HG23 ILE 95 79.146 6.401 -0.062 772 HD11 ILE 95 HD11 ILE 95 82.375 7.231 -0.750 773 HD12 ILE 95 HD12 ILE 95 80.966 8.004 -1.469 774 HD13 ILE 95 HD13 ILE 95 82.280 7.430 -2.494 775 H ALA 96 H ALA 96 77.494 5.870 -4.713 776 HA ALA 96 HA ALA 96 75.111 5.285 -3.292 777 HB1 ALA 96 HB1 ALA 96 73.959 6.050 -5.217 778 HB2 ALA 96 HB2 ALA 96 75.293 5.616 -6.285 779 HB3 ALA 96 HB3 ALA 96 75.453 6.985 -5.187 780 H TYR 97 H TYR 97 77.002 3.581 -5.713 781 HA TYR 97 HA TYR 97 75.081 1.471 -6.097 782 HB2 TYR 97 HB2 TYR 97 76.642 1.960 -7.887 783 HB3 TYR 97 HB3 TYR 97 78.015 1.679 -6.817 784 HD1 TYR 97 HD1 TYR 97 75.063 0.028 -8.388 785 HD2 TYR 97 HD2 TYR 97 78.848 -0.515 -6.435 786 HE1 TYR 97 HE1 TYR 97 74.993 -2.390 -8.928 787 HE2 TYR 97 HE2 TYR 97 78.778 -2.934 -6.973 788 HH TYR 97 HH TYR 97 76.436 -4.262 -9.151 789 H LEU 98 H LEU 98 78.185 1.798 -4.361 790 HA LEU 98 HA LEU 98 78.380 -0.762 -3.310 791 HB2 LEU 98 HB2 LEU 98 79.270 1.934 -2.335 792 HB3 LEU 98 HB3 LEU 98 79.508 0.517 -1.321 793 HG LEU 98 HG LEU 98 80.362 0.378 -4.199 794 HD11 LEU 98 HD11 LEU 98 82.145 1.499 -2.031 795 HD12 LEU 98 HD12 LEU 98 81.282 2.523 -3.177 796 HD13 LEU 98 HD13 LEU 98 82.482 1.377 -3.756 797 HD21 LEU 98 HD21 LEU 98 81.879 -1.251 -3.363 798 HD22 LEU 98 HD22 LEU 98 80.379 -1.541 -2.480 799 HD23 LEU 98 HD23 LEU 98 81.705 -0.673 -1.708 800 H LYS 99 H LYS 99 76.160 1.778 -2.545 801 HA LYS 99 HA LYS 99 75.424 0.747 0.055 802 HB2 LYS 99 HB2 LYS 99 74.359 2.914 -1.741 803 HB3 LYS 99 HB3 LYS 99 73.459 2.396 -0.315 804 HG2 LYS 99 HG2 LYS 99 75.382 2.892 1.118 805 HG3 LYS 99 HG3 LYS 99 76.342 3.333 -0.293 806 HD2 LYS 99 HD2 LYS 99 75.484 5.361 0.762 807 HD3 LYS 99 HD3 LYS 99 74.708 5.142 -0.806 808 HE2 LYS 99 HE2 LYS 99 72.666 4.517 0.142 809 HE3 LYS 99 HE3 LYS 99 73.410 4.004 1.656 810 HZ1 LYS 99 HZ1 LYS 99 73.581 6.823 0.844 811 HZ2 LYS 99 HZ2 LYS 99 73.589 6.149 2.403 812 HZ3 LYS 99 HZ3 LYS 99 72.139 6.246 1.525 813 H LYS 100 H LYS 100 73.769 0.961 -3.105 814 HA LYS 100 HA LYS 100 71.609 -0.732 -2.275 815 HB2 LYS 100 HB2 LYS 100 72.518 0.387 -4.917 816 HB3 LYS 100 HB3 LYS 100 71.213 -0.797 -4.836 817 HG2 LYS 100 HG2 LYS 100 69.879 0.633 -3.452 818 HG3 LYS 100 HG3 LYS 100 71.229 1.735 -3.178 819 HD2 LYS 100 HD2 LYS 100 71.173 2.536 -5.414 820 HD3 LYS 100 HD3 LYS 100 70.153 1.199 -5.950 821 HE2 LYS 100 HE2 LYS 100 69.207 3.159 -3.857 822 HE3 LYS 100 HE3 LYS 100 69.002 3.479 -5.579 823 HZ1 LYS 100 HZ1 LYS 100 68.208 0.834 -4.722 824 HZ2 LYS 100 HZ2 LYS 100 67.425 1.920 -5.769 825 HZ3 LYS 100 HZ3 LYS 100 67.267 2.093 -4.086 826 H ALA 101 H ALA 101 74.789 -1.295 -3.366 827 HA ALA 101 HA ALA 101 74.255 -3.956 -4.418 828 HB1 ALA 101 HB1 ALA 101 76.898 -2.581 -3.874 829 HB2 ALA 101 HB2 ALA 101 76.024 -2.517 -5.405 830 HB3 ALA 101 HB3 ALA 101 76.656 -4.054 -4.813 831 H THR 102 H THR 102 75.456 -2.429 -1.494 832 HA THR 102 HA THR 102 76.153 -5.018 -0.312 833 HB THR 102 HB THR 102 76.915 -3.652 1.609 834 HG1 THR 102 HG1 THR 102 75.500 -1.764 0.203 835 HG21 THR 102 HG21 THR 102 78.578 -4.063 -0.026 836 HG22 THR 102 HG22 THR 102 78.659 -2.325 0.265 837 HG23 THR 102 HG23 THR 102 77.845 -2.943 -1.172 838 H ASN 103 H ASN 103 73.435 -3.223 -0.759 839 HA ASN 103 HA ASN 103 72.198 -4.018 1.802 840 HB2 ASN 103 HB2 ASN 103 71.527 -1.945 -0.275 841 HB3 ASN 103 HB1 ASN 103 70.329 -2.487 0.891 842 HD21 ASN 103 HD21 ASN 103 73.747 -2.333 1.749 843 HD22 ASN 103 HD22 ASN 103 73.596 -1.020 2.812 844 H GLU 104 H GLU 104 72.275 -4.593 -1.595 845 HA GLU 104 HA GLU 104 70.841 -5.770 -3.017 846 HB2 GLU 104 HB2 GLU 104 71.350 -7.674 -0.721 847 HB3 GLU 104 HB3 GLU 104 70.767 -8.151 -2.316 848 HG2 GLU 104 HG2 GLU 104 72.841 -6.940 -3.245 849 HG3 GLU 104 HG3 GLU 104 73.442 -6.953 -1.589 850 HHA HEC 201 HA HEC 105 89.309 -3.500 3.186 851 HHB HEC 201 HB HEC 105 85.631 0.118 -0.468 852 HHC HEC 201 HC HEC 105 88.831 -1.808 -5.576 853 HHD HEC 201 HD HEC 105 92.132 -5.828 -1.975 854 HMA1 HEC 201 HMA1 HEC 105 84.692 -0.075 1.536 855 HMA2 HEC 201 HMA2 HEC 105 85.866 0.960 2.349 856 HMA3 HEC 201 HMA3 HEC 105 85.127 -0.389 3.212 857 HAA1 HEC 201 HAA1 HEC 105 86.870 -0.924 4.466 858 HAA2 HEC 201 HAA2 HEC 105 88.390 -1.794 4.441 859 HBA1 HEC 201 HBA1 HEC 105 87.357 -3.878 4.552 860 HBA2 HEC 201 HBA2 HEC 105 85.826 -3.269 3.934 861 HMB1 HEC 201 HMB1 HEC 105 84.216 0.291 -2.696 862 HMB2 HEC 201 HMB2 HEC 105 84.899 1.235 -4.015 863 HMB3 HEC 201 HMB3 HEC 105 85.277 1.655 -2.348 864 HAB HEC 201 HAB HEC 105 87.356 -0.584 -6.243 865 HBB1 HEC 201 HBB1 HEC 105 86.353 1.861 -6.558 866 HBB2 HEC 201 HBB2 HEC 105 86.821 2.014 -4.866 867 HBB3 HEC 201 HBB3 HEC 105 88.031 1.619 -6.080 868 HMC1 HEC 201 HMC1 HEC 105 91.321 -2.674 -6.682 869 HMC2 HEC 201 HMC2 HEC 105 89.741 -3.421 -6.903 870 HMC3 HEC 201 HMC3 HEC 105 91.191 -4.416 -6.918 871 HAC HEC 201 HAC HEC 105 92.608 -6.243 -3.894 872 HBC1 HEC 201 HBC1 HEC 105 94.297 -5.039 -4.860 873 HBC2 HEC 201 HBC2 HEC 105 93.193 -4.104 -5.868 874 HBC3 HEC 201 HBC3 HEC 105 93.660 -5.735 -6.349 875 HMD1 HEC 201 HMD1 HEC 105 93.589 -6.203 0.467 876 HMD2 HEC 201 HMD2 HEC 105 92.396 -7.287 -0.242 877 HMD3 HEC 201 HMD3 HEC 105 92.577 -7.203 1.505 878 HAD1 HEC 201 HAD1 HEC 105 91.883 -6.284 3.200 879 HAD2 HEC 201 HAD2 HEC 105 90.334 -5.616 3.670 880 HBD1 HEC 201 HBD1 HEC 105 91.483 -3.347 3.778 881 HBD2 HEC 201 HBD2 HEC 105 93.005 -4.214 3.615 882 H1 HOH 301 H2 HOH 200 79.970 3.502 -0.841 883 H2 HOH 301 H1 HOH 200 80.726 2.232 -0.507 884 H1 HOH 302 H2 HOH 201 86.034 4.946 5.742 885 H2 HOH 302 H1 HOH 201 87.359 5.672 5.633 886 H1 HOH 303 H2 HOH 202 81.671 -6.078 5.987 887 H2 HOH 303 H1 HOH 202 83.000 -5.734 5.350 888 H1 HOH 304 H2 HOH 203 81.948 -9.702 0.147 889 H2 HOH 304 H1 HOH 203 80.844 -10.737 0.198 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 74.735 8.983 -5.383 2 H2 GLY 1 H2 GLY 1 76.002 9.387 -6.440 3 H3 GLY 1 H3 GLY 1 74.986 8.073 -6.792 4 HA2 GLY 1 HA2 GLY 1 73.298 10.231 -6.487 5 HA3 GLY 1 HA3 GLY 1 74.660 10.810 -7.449 6 H ASP 2 H ASP 2 75.217 8.085 -8.474 7 HA ASP 2 HA ASP 2 72.852 7.562 -10.152 8 HB2 ASP 2 HB2 ASP 2 75.629 8.194 -11.164 9 HB3 ASP 2 HB1 ASP 2 74.381 7.427 -12.144 10 H VAL 3 H VAL 3 72.663 5.657 -8.888 11 HA VAL 3 HA VAL 3 74.554 3.737 -8.352 12 HB VAL 3 HB VAL 3 72.245 3.592 -7.556 13 HG11 VAL 3 HG11 VAL 3 71.520 2.818 -10.395 14 HG12 VAL 3 HG12 VAL 3 71.251 4.427 -9.724 15 HG13 VAL 3 HG13 VAL 3 70.419 3.034 -9.034 16 HG21 VAL 3 HG21 VAL 3 72.738 1.190 -9.327 17 HG22 VAL 3 HG22 VAL 3 72.008 1.231 -7.722 18 HG23 VAL 3 HG23 VAL 3 73.735 1.520 -7.912 19 H GLU 4 H GLU 4 73.365 4.736 -11.417 20 HA GLU 4 HA GLU 4 73.913 2.308 -12.845 21 HB2 GLU 4 HB2 GLU 4 73.716 5.123 -13.934 22 HB3 GLU 4 HB3 GLU 4 73.544 3.622 -14.844 23 HG2 GLU 4 HG2 GLU 4 71.581 3.030 -13.421 24 HG3 GLU 4 HG3 GLU 4 71.720 4.599 -12.628 25 H LYS 5 H LYS 5 75.564 5.483 -12.840 26 HA LYS 5 HA LYS 5 77.884 4.432 -14.155 27 HB2 LYS 5 HB2 LYS 5 77.208 7.040 -12.810 28 HB3 LYS 5 HB3 LYS 5 78.868 6.692 -13.290 29 HG2 LYS 5 HG2 LYS 5 78.272 6.477 -15.586 30 HG3 LYS 5 HG3 LYS 5 76.551 6.402 -15.210 31 HD2 LYS 5 HD2 LYS 5 78.082 8.840 -14.368 32 HD3 LYS 5 HD3 LYS 5 77.664 8.663 -16.071 33 HE2 LYS 5 HE2 LYS 5 75.346 8.648 -15.627 34 HE3 LYS 5 HE3 LYS 5 75.585 8.284 -13.920 35 HZ1 LYS 5 HZ1 LYS 5 76.008 10.424 -13.425 36 HZ2 LYS 5 HZ2 LYS 5 75.102 10.723 -14.831 37 HZ3 LYS 5 HZ3 LYS 5 76.800 10.738 -14.892 38 H GLY 6 H GLY 6 76.755 4.511 -10.928 39 HA2 GLY 6 HA2 GLY 6 79.294 4.348 -9.602 40 HA3 GLY 6 HA3 GLY 6 77.725 3.931 -8.907 41 H LYS 7 H LYS 7 77.000 2.127 -11.026 42 HA LYS 7 HA LYS 7 78.157 -0.281 -10.027 43 HB2 LYS 7 HB2 LYS 7 75.815 -0.000 -10.984 44 HB3 LYS 7 HB3 LYS 7 76.568 0.031 -12.578 45 HG2 LYS 7 HG2 LYS 7 77.737 -2.177 -11.784 46 HG3 LYS 7 HG3 LYS 7 76.439 -2.227 -10.594 47 HD2 LYS 7 HD2 LYS 7 75.436 -3.401 -12.325 48 HD3 LYS 7 HD3 LYS 7 74.916 -1.763 -12.725 49 HE2 LYS 7 HE2 LYS 7 76.857 -1.542 -14.260 50 HE3 LYS 7 HE3 LYS 7 77.323 -3.202 -13.887 51 HZ1 LYS 7 HZ1 LYS 7 75.275 -2.233 -15.639 52 HZ2 LYS 7 HZ2 LYS 7 74.695 -3.397 -14.545 53 HZ3 LYS 7 HZ3 LYS 7 76.002 -3.765 -15.567 54 H LYS 8 H LYS 8 78.514 1.607 -13.021 55 HA LYS 8 HA LYS 8 80.203 -0.161 -14.402 56 HB2 LYS 8 HB2 LYS 8 79.182 1.757 -15.498 57 HB3 LYS 8 HB3 LYS 8 80.098 2.863 -14.475 58 HG2 LYS 8 HG2 LYS 8 81.739 0.864 -15.926 59 HG3 LYS 8 HG3 LYS 8 80.920 2.035 -16.956 60 HD2 LYS 8 HD2 LYS 8 82.419 2.979 -14.519 61 HD3 LYS 8 HD3 LYS 8 83.292 2.616 -16.007 62 HE2 LYS 8 HE2 LYS 8 80.858 4.389 -16.069 63 HE3 LYS 8 HE3 LYS 8 82.433 5.049 -15.632 64 HZ1 LYS 8 HZ1 LYS 8 83.260 3.943 -17.736 65 HZ2 LYS 8 HZ2 LYS 8 82.275 5.313 -17.932 66 HZ3 LYS 8 HZ3 LYS 8 81.630 3.759 -18.168 67 H ILE 9 H ILE 9 81.023 2.572 -12.274 68 HA ILE 9 HA ILE 9 83.825 2.233 -12.429 69 HB ILE 9 HB ILE 9 82.144 3.487 -10.250 70 HG12 ILE 9 HG12 ILE 9 83.672 4.877 -12.458 71 HG13 ILE 9 HG13 ILE 9 81.998 4.366 -12.676 72 HG21 ILE 9 HG21 ILE 9 84.289 4.731 -9.788 73 HG22 ILE 9 HG22 ILE 9 85.105 3.618 -10.885 74 HG23 ILE 9 HG23 ILE 9 84.360 3.012 -9.406 75 HD11 ILE 9 HD11 ILE 9 82.072 6.696 -11.908 76 HD12 ILE 9 HD12 ILE 9 83.021 6.216 -10.501 77 HD13 ILE 9 HD13 ILE 9 81.352 5.671 -10.667 78 H PHE 10 H PHE 10 81.364 0.622 -10.587 79 HA PHE 10 HA PHE 10 83.159 -0.395 -8.573 80 HB2 PHE 10 HB2 PHE 10 80.988 -0.269 -7.768 81 HB3 PHE 10 HB1 PHE 10 80.283 -0.827 -9.284 82 HD1 PHE 10 HD1 PHE 10 80.238 -3.201 -9.862 83 HD2 PHE 10 HD2 PHE 10 81.921 -1.848 -6.153 84 HE1 PHE 10 HE1 PHE 10 80.233 -5.531 -9.015 85 HE2 PHE 10 HE2 PHE 10 81.920 -4.178 -5.303 86 HZ PHE 10 HZ PHE 10 81.076 -6.021 -6.738 87 H VAL 11 H VAL 11 81.434 -1.906 -11.318 88 HA VAL 11 HA VAL 11 82.449 -4.476 -11.033 89 HB VAL 11 HB VAL 11 81.987 -4.759 -13.452 90 HG11 VAL 11 HG11 VAL 11 79.825 -3.108 -12.144 91 HG12 VAL 11 HG12 VAL 11 80.208 -4.745 -11.616 92 HG13 VAL 11 HG13 VAL 11 79.634 -4.459 -13.258 93 HG21 VAL 11 HG21 VAL 11 82.770 -2.480 -14.125 94 HG22 VAL 11 HG22 VAL 11 81.343 -1.801 -13.344 95 HG23 VAL 11 HG23 VAL 11 81.162 -2.857 -14.741 96 H GLN 12 H GLN 12 83.931 -1.627 -12.398 97 HA GLN 12 HA GLN 12 86.170 -3.210 -13.430 98 HB2 GLN 12 HB2 GLN 12 86.892 -1.204 -14.523 99 HB3 GLN 12 HB1 GLN 12 85.158 -1.384 -14.782 100 HG2 GLN 12 HG2 GLN 12 84.780 0.148 -12.819 101 HG3 GLN 12 HG1 GLN 12 86.521 0.431 -12.780 102 HE21 GLN 12 HE21 GLN 12 85.919 -0.062 -15.975 103 HE22 GLN 12 HE22 GLN 12 85.619 1.531 -16.467 104 H LYS 13 H LYS 13 85.468 -1.079 -10.715 105 HA LYS 13 HA LYS 13 88.346 -0.949 -10.097 106 HB2 LYS 13 HB2 LYS 13 86.009 0.574 -8.950 107 HB3 LYS 13 HB3 LYS 13 87.660 0.710 -8.360 108 HG2 LYS 13 HG2 LYS 13 88.102 1.076 -11.016 109 HG3 LYS 13 HG3 LYS 13 86.472 1.730 -10.890 110 HD2 LYS 13 HD2 LYS 13 87.162 3.287 -9.167 111 HD3 LYS 13 HD3 LYS 13 88.765 2.554 -9.089 112 HE2 LYS 13 HE2 LYS 13 89.318 3.307 -11.292 113 HE3 LYS 13 HE3 LYS 13 87.649 3.776 -11.620 114 HZ1 LYS 13 HZ1 LYS 13 89.293 5.594 -10.967 115 HZ2 LYS 13 HZ2 LYS 13 89.167 4.977 -9.390 116 HZ3 LYS 13 HZ3 LYS 13 87.789 5.578 -10.183 117 H CYS 14 H CYS 14 85.384 -1.452 -8.119 118 HA CYS 14 HA CYS 14 87.008 -2.735 -6.094 119 HB2 CYS 14 HB2 CYS 14 84.037 -2.602 -5.930 120 HB3 CYS 14 HB1 CYS 14 85.234 -2.432 -4.652 121 H ALA 15 H ALA 15 84.520 -3.860 -8.370 122 HA ALA 15 HA ALA 15 83.970 -6.339 -7.308 123 HB1 ALA 15 HB1 ALA 15 83.873 -7.105 -9.774 124 HB2 ALA 15 HB2 ALA 15 84.289 -5.436 -10.156 125 HB3 ALA 15 HB3 ALA 15 82.807 -5.794 -9.269 126 H GLN 16 H GLN 16 86.935 -5.231 -8.742 127 HA GLN 16 HA GLN 16 88.212 -7.526 -9.517 128 HB2 GLN 16 HB2 GLN 16 89.022 -4.891 -8.562 129 HB3 GLN 16 HB1 GLN 16 90.207 -6.134 -8.164 130 HG2 GLN 16 HG2 GLN 16 90.140 -6.880 -10.558 131 HG3 GLN 16 HG1 GLN 16 89.084 -5.513 -10.912 132 HE21 GLN 16 HE21 GLN 16 90.530 -3.731 -8.962 133 HE22 GLN 16 HE22 GLN 16 91.997 -3.341 -9.720 134 H CYS 17 H CYS 17 88.568 -6.168 -6.206 135 HA CYS 17 HA CYS 17 88.964 -8.950 -5.255 136 HB2 CYS 17 HB2 CYS 17 90.112 -6.765 -3.626 137 HB3 CYS 17 HB1 CYS 17 90.787 -8.337 -4.041 138 H HIS 18 H HSD 18 86.363 -8.027 -5.305 139 HA HIS 18 HA HSD 18 85.750 -8.056 -2.466 140 HB2 HIS 18 HB2 HSD 18 85.131 -5.669 -4.194 141 HB3 HIS 18 HB1 HSD 18 84.158 -6.055 -2.776 142 HD1 HIS 18 HD1 HSD 18 86.649 -7.127 -1.053 143 HD2 HIS 18 HD2 HSD 18 86.414 -3.454 -3.009 144 HE1 HIS 18 HE1 HSD 18 88.286 -5.584 0.116 145 H THR 19 H THR 19 83.173 -7.704 -2.312 146 HA THR 19 HA THR 19 81.880 -9.209 -4.496 147 HB THR 19 HB THR 19 80.765 -10.087 -2.020 148 HG1 THR 19 HG1 THR 19 83.366 -10.933 -1.977 149 HG21 THR 19 HG21 THR 19 82.608 -11.518 -3.954 150 HG22 THR 19 HG22 THR 19 80.868 -11.329 -4.175 151 HG23 THR 19 HG23 THR 19 81.488 -12.276 -2.822 152 H VAL 20 H VAL 20 81.541 -7.217 -1.602 153 HA VAL 20 HA VAL 20 79.804 -5.916 -0.829 154 HB VAL 20 HB VAL 20 79.148 -4.190 -2.387 155 HG11 VAL 20 HG11 VAL 20 81.994 -5.114 -2.884 156 HG12 VAL 20 HG12 VAL 20 81.454 -4.140 -1.518 157 HG13 VAL 20 HG13 VAL 20 81.382 -3.482 -3.150 158 HG21 VAL 20 HG21 VAL 20 78.718 -5.847 -4.285 159 HG22 VAL 20 HG22 VAL 20 80.455 -5.811 -4.573 160 HG23 VAL 20 HG23 VAL 20 79.505 -4.339 -4.741 161 H GLU 21 H GLU 21 78.975 -8.628 -1.637 162 HA GLU 21 HA GLU 21 76.135 -8.009 -2.195 163 HB2 GLU 21 HB2 GLU 21 75.911 -9.887 -3.604 164 HB3 GLU 21 HB3 GLU 21 77.412 -9.120 -4.120 165 HG2 GLU 21 HG2 GLU 21 78.552 -10.726 -2.421 166 HG3 GLU 21 HG3 GLU 21 77.038 -11.627 -2.499 167 H LYS 22 H LYS 22 74.906 -8.504 -0.529 168 HA LYS 22 HA LYS 22 75.673 -9.720 1.817 169 HB2 LYS 22 HB2 LYS 22 72.989 -9.444 0.480 170 HB3 LYS 22 HB3 LYS 22 73.143 -10.262 2.034 171 HG2 LYS 22 HG2 LYS 22 74.435 -7.572 1.685 172 HG3 LYS 22 HG3 LYS 22 72.691 -7.650 1.932 173 HD2 LYS 22 HD2 LYS 22 73.080 -9.024 3.982 174 HD3 LYS 22 HD3 LYS 22 74.817 -8.808 3.761 175 HE2 LYS 22 HE2 LYS 22 74.193 -7.109 5.295 176 HE3 LYS 22 HE3 LYS 22 74.327 -6.281 3.743 177 HZ1 LYS 22 HZ1 LYS 22 71.839 -7.226 5.056 178 HZ2 LYS 22 HZ2 LYS 22 71.905 -6.624 3.469 179 HZ3 LYS 22 HZ3 LYS 22 72.302 -5.618 4.779 180 H GLY 23 H GLY 23 75.497 -11.781 2.697 181 HA2 GLY 23 HA2 GLY 23 75.771 -14.066 2.676 182 HA3 GLY 23 HA3 GLY 23 74.381 -14.056 1.596 183 H GLY 24 H GLY 24 77.408 -12.486 0.778 184 HA2 GLY 24 HA2 GLY 24 77.672 -14.242 -1.547 185 HA3 GLY 24 HA3 GLY 24 78.541 -12.738 -1.268 186 H LYS 25 H LYS 25 80.588 -13.471 -1.576 187 HA LYS 25 HA LYS 25 81.730 -15.065 0.582 188 HB2 LYS 25 HB2 LYS 25 82.992 -16.453 -1.177 189 HB3 LYS 25 HB3 LYS 25 81.307 -16.875 -0.874 190 HG2 LYS 25 HG2 LYS 25 81.704 -14.815 -2.968 191 HG3 LYS 25 HG3 LYS 25 82.349 -16.405 -3.368 192 HD2 LYS 25 HD2 LYS 25 80.170 -17.434 -2.869 193 HD3 LYS 25 HD3 LYS 25 79.516 -15.854 -2.438 194 HE2 LYS 25 HE2 LYS 25 78.834 -16.191 -4.687 195 HE3 LYS 25 HE3 LYS 25 80.220 -15.105 -4.796 196 HZ1 LYS 25 HZ1 LYS 25 81.105 -17.780 -4.786 197 HZ2 LYS 25 HZ2 LYS 25 81.298 -16.600 -5.993 198 HZ3 LYS 25 HZ3 LYS 25 79.920 -17.595 -5.985 199 H HIS 26 H HIS 26 83.386 -13.888 1.264 200 HA HIS 26 HA HIS 26 84.521 -11.709 -0.038 201 HB2 HIS 26 HB2 HIS 26 86.545 -12.339 1.567 202 HB3 HIS 26 HB1 HIS 26 85.023 -11.729 2.216 203 HD1 HIS 26 HD1 HIS 26 85.863 -15.237 0.981 204 HD2 HIS 26 HD2 HIS 26 84.624 -13.303 4.461 205 HE1 HIS 26 HE1 HIS 26 85.401 -17.054 2.686 206 HE2 HIS 26 HE2 HIS 26 84.645 -15.891 4.812 207 H LYS 27 H LYS 27 85.818 -11.528 -1.727 208 HA LYS 27 HA LYS 27 87.487 -13.849 -2.517 209 HB2 LYS 27 HB2 LYS 27 85.974 -11.830 -4.169 210 HB3 LYS 27 HB3 LYS 27 87.320 -12.750 -4.843 211 HG2 LYS 27 HG2 LYS 27 86.198 -14.853 -4.292 212 HG3 LYS 27 HG3 LYS 27 84.877 -13.972 -3.526 213 HD2 LYS 27 HD2 LYS 27 84.323 -12.906 -5.673 214 HD3 LYS 27 HD3 LYS 27 85.662 -13.754 -6.448 215 HE2 LYS 27 HE2 LYS 27 83.301 -15.096 -5.099 216 HE3 LYS 27 HE3 LYS 27 83.497 -14.902 -6.840 217 HZ1 LYS 27 HZ1 LYS 27 84.359 -16.983 -6.503 218 HZ2 LYS 27 HZ2 LYS 27 85.003 -16.602 -4.977 219 HZ3 LYS 27 HZ3 LYS 27 85.765 -16.042 -6.389 220 H THR 28 H THR 28 89.580 -13.475 -2.161 221 HA THR 28 HA THR 28 91.538 -12.320 -1.730 222 HB THR 28 HB THR 28 90.738 -10.617 -4.082 223 HG1 THR 28 HG1 THR 28 90.770 -12.307 -5.311 224 HG21 THR 28 HG21 THR 28 93.405 -11.910 -3.678 225 HG22 THR 28 HG22 THR 28 92.994 -10.524 -2.669 226 HG23 THR 28 HG23 THR 28 93.016 -10.362 -4.424 227 H GLY 29 H GLY 29 89.061 -11.287 -0.469 228 HA2 GLY 29 HA2 GLY 29 90.041 -9.097 0.897 229 HA3 GLY 29 HA3 GLY 29 89.138 -8.431 -0.460 230 HA PRO 30 HA PRO 30 86.346 -9.914 3.153 231 HB2 PRO 30 HB2 PRO 30 85.924 -7.522 4.431 232 HB3 PRO 30 HB1 PRO 30 87.203 -8.664 4.888 233 HG2 PRO 30 HG2 PRO 30 87.383 -6.179 3.252 234 HG3 PRO 30 HG1 PRO 30 88.498 -6.805 4.480 235 HD2 PRO 30 HD2 PRO 30 88.966 -7.070 1.801 236 HD3 PRO 30 HD1 PRO 30 89.532 -8.257 2.997 237 H ASN 31 H ASN 31 84.085 -9.004 3.608 238 HA ASN 31 HA ASN 31 82.959 -8.022 1.079 239 HB2 ASN 31 HB2 ASN 31 80.887 -8.894 1.829 240 HB3 ASN 31 HB1 ASN 31 82.086 -10.082 2.337 241 HD21 ASN 31 HD21 ASN 31 83.024 -8.167 4.536 242 HD22 ASN 31 HD22 ASN 31 81.841 -8.309 5.744 243 H LEU 32 H LEU 32 81.129 -6.425 1.271 244 HA LEU 32 HA LEU 32 81.707 -4.425 3.383 245 HB2 LEU 32 HB2 LEU 32 80.627 -3.775 0.641 246 HB3 LEU 32 HB3 LEU 32 81.268 -2.663 1.842 247 HG LEU 32 HG LEU 32 82.815 -4.708 0.228 248 HD11 LEU 32 HD11 LEU 32 83.566 -1.830 0.395 249 HD12 LEU 32 HD12 LEU 32 82.076 -2.195 -0.469 250 HD13 LEU 32 HD13 LEU 32 83.595 -2.923 -0.990 251 HD21 LEU 32 HD21 LEU 32 84.740 -3.345 1.526 252 HD22 LEU 32 HD22 LEU 32 84.051 -4.828 2.173 253 HD23 LEU 32 HD23 LEU 32 83.485 -3.268 2.758 254 H HIS 33 H HIS 33 79.804 -6.547 3.645 255 HA HIS 33 HA HIS 33 77.166 -5.738 3.011 256 HB2 HIS 33 HB2 HIS 33 78.128 -7.490 5.287 257 HB3 HIS 33 HB1 HIS 33 76.469 -7.388 4.696 258 HD1 HIS 33 HD1 HIS 33 77.668 -10.114 4.509 259 HD2 HIS 33 HD2 HIS 33 78.196 -7.292 1.486 260 HE1 HIS 33 HE1 HIS 33 78.237 -11.412 2.410 261 HE2 HIS 33 HE2 HIS 33 78.557 -9.706 0.557 262 H GLY 34 H GLY 34 75.684 -4.490 4.099 263 HA2 GLY 34 HA2 GLY 34 75.136 -2.600 5.360 264 HA3 GLY 34 HA3 GLY 34 75.447 -3.732 6.674 265 H LEU 35 H LEU 35 77.937 -2.727 4.477 266 HA LEU 35 HA LEU 35 79.907 -2.134 6.245 267 HB2 LEU 35 HB2 LEU 35 80.305 -2.199 3.868 268 HB3 LEU 35 HB3 LEU 35 79.269 -0.802 3.608 269 HG LEU 35 HG LEU 35 81.012 0.304 5.345 270 HD11 LEU 35 HD11 LEU 35 82.869 -1.430 3.759 271 HD12 LEU 35 HD12 LEU 35 82.202 -2.053 5.267 272 HD13 LEU 35 HD13 LEU 35 83.163 -0.575 5.269 273 HD21 LEU 35 HD21 LEU 35 80.426 1.015 2.989 274 HD22 LEU 35 HD22 LEU 35 81.692 -0.070 2.419 275 HD23 LEU 35 HD23 LEU 35 82.105 1.303 3.445 276 H PHE 36 H PHE 36 77.763 0.323 4.824 277 HA PHE 36 HA PHE 36 78.634 2.504 6.305 278 HB2 PHE 36 HB2 PHE 36 75.755 2.104 5.494 279 HB3 PHE 36 HB1 PHE 36 76.654 3.616 5.622 280 HD1 PHE 36 HD2 PHE 36 76.403 0.430 3.703 281 HD2 PHE 36 HD1 PHE 36 77.969 4.433 3.798 282 HE1 PHE 36 HE2 PHE 36 77.122 0.209 1.343 283 HE2 PHE 36 HE1 PHE 36 78.673 4.210 1.441 284 HZ PHE 36 HZ PHE 36 78.253 2.101 0.207 285 H GLY 37 H GLY 37 79.010 1.939 8.484 286 HA2 GLY 37 HA2 GLY 37 77.513 2.687 10.478 287 HA3 GLY 37 HA3 GLY 37 76.643 1.213 10.084 288 H ARG 38 H ARG 38 79.320 -0.090 9.361 289 HA ARG 38 HA ARG 38 79.877 -0.980 12.090 290 HB2 ARG 38 HB2 ARG 38 80.249 -2.077 9.377 291 HB3 ARG 38 HB3 ARG 38 81.527 -2.478 10.523 292 HG2 ARG 38 HG2 ARG 38 79.676 -3.178 12.142 293 HG3 ARG 38 HG3 ARG 38 78.567 -3.054 10.776 294 HD2 ARG 38 HD2 ARG 38 81.085 -4.656 10.460 295 HD3 ARG 38 HD3 ARG 38 79.735 -5.358 11.342 296 HE ARG 38 HE ARG 38 78.511 -4.527 9.104 297 HH11 ARG 38 HH21 ARG 38 81.501 -6.216 9.613 298 HH12 ARG 38 HH22 ARG 38 81.420 -7.075 8.113 299 HH21 ARG 38 HH11 ARG 38 78.407 -5.671 7.150 300 HH22 ARG 38 HH12 ARG 38 79.674 -6.774 6.725 301 H LYS 39 H LYS 39 82.034 -1.272 12.888 302 HA LYS 39 HA LYS 39 83.691 1.058 12.429 303 HB2 LYS 39 HB2 LYS 39 83.157 0.119 14.700 304 HB3 LYS 39 HB3 LYS 39 84.165 -1.266 14.298 305 HG2 LYS 39 HG2 LYS 39 85.684 0.102 15.418 306 HG3 LYS 39 HG3 LYS 39 85.982 0.553 13.746 307 HD2 LYS 39 HD2 LYS 39 85.802 2.577 15.078 308 HD3 LYS 39 HD3 LYS 39 84.391 2.470 14.030 309 HE2 LYS 39 HE2 LYS 39 84.075 1.167 16.673 310 HE3 LYS 39 HE3 LYS 39 84.250 2.921 16.719 311 HZ1 LYS 39 HZ1 LYS 39 82.239 3.200 15.855 312 HZ2 LYS 39 HZ2 LYS 39 81.962 1.553 16.166 313 HZ3 LYS 39 HZ3 LYS 39 82.499 2.053 14.634 314 H THR 40 H THR 40 85.899 1.030 11.874 315 HA THR 40 HA THR 40 86.674 -0.438 9.693 316 HB THR 40 HB THR 40 89.039 0.182 10.376 317 HG1 THR 40 HG1 THR 40 87.635 1.497 12.455 318 HG21 THR 40 HG21 THR 40 88.456 2.695 10.287 319 HG22 THR 40 HG22 THR 40 86.776 2.166 10.190 320 HG23 THR 40 HG23 THR 40 87.923 1.690 8.938 321 H GLY 41 H GLY 41 87.798 -2.268 9.265 322 HA2 GLY 41 HA2 GLY 41 88.394 -4.467 9.564 323 HA3 GLY 41 HA3 GLY 41 89.331 -3.841 10.916 324 H GLN 42 H GLN 42 85.837 -4.237 10.328 325 HA GLN 42 HA GLN 42 85.672 -5.679 12.915 326 HB2 GLN 42 HB2 GLN 42 84.508 -3.525 12.952 327 HB3 GLN 42 HB1 GLN 42 83.562 -4.002 11.542 328 HG2 GLN 42 HG2 GLN 42 82.357 -5.621 12.729 329 HG3 GLN 42 HG1 GLN 42 83.584 -5.754 13.987 330 HE21 GLN 42 HE21 GLN 42 81.582 -3.067 12.616 331 HE22 GLN 42 HE22 GLN 42 81.128 -2.452 14.131 332 H ALA 43 H ALA 43 85.086 -5.879 9.522 333 HA ALA 43 HA ALA 43 83.026 -7.821 9.547 334 HB1 ALA 43 HB1 ALA 43 83.137 -7.509 7.327 335 HB2 ALA 43 HB2 ALA 43 84.783 -8.132 7.274 336 HB3 ALA 43 HB3 ALA 43 84.498 -6.422 7.601 337 HA PRO 44 HA PRO 44 85.694 -11.178 10.916 338 HB2 PRO 44 HB2 PRO 44 83.788 -13.078 11.200 339 HB3 PRO 44 HB1 PRO 44 83.936 -11.719 12.334 340 HG2 PRO 44 HG2 PRO 44 82.030 -12.093 10.071 341 HG3 PRO 44 HG1 PRO 44 81.741 -11.436 11.691 342 HD2 PRO 44 HD2 PRO 44 82.110 -9.873 9.442 343 HD3 PRO 44 HD1 PRO 44 82.444 -9.324 11.100 344 H GLY 45 H GLY 45 86.990 -11.870 9.256 345 HA2 GLY 45 HA2 GLY 45 86.498 -14.154 7.800 346 HA3 GLY 45 HA3 GLY 45 85.974 -12.837 6.756 347 H PHE 46 H PHE 46 87.544 -11.188 6.188 348 HA PHE 46 HA PHE 46 90.077 -12.313 5.497 349 HB2 PHE 46 HB2 PHE 46 88.755 -10.540 4.212 350 HB3 PHE 46 HB1 PHE 46 89.364 -9.382 5.395 351 HD1 PHE 46 HD1 PHE 46 90.403 -11.897 2.855 352 HD2 PHE 46 HD2 PHE 46 91.599 -8.571 5.295 353 HE1 PHE 46 HE1 PHE 46 92.551 -11.765 1.622 354 HE2 PHE 46 HE2 PHE 46 93.747 -8.439 4.062 355 HZ PHE 46 HZ PHE 46 94.223 -10.037 2.225 356 H THR 47 H THR 47 92.161 -11.579 6.134 357 HA THR 47 HA THR 47 92.368 -11.051 8.960 358 HB THR 47 HB THR 47 94.645 -11.040 6.986 359 HG1 THR 47 HG1 THR 47 93.493 -12.902 6.586 360 HG21 THR 47 HG21 THR 47 95.824 -12.027 8.964 361 HG22 THR 47 HG22 THR 47 94.355 -11.782 9.908 362 HG23 THR 47 HG23 THR 47 95.223 -10.394 9.250 363 H TYR 48 H TYR 48 91.361 -8.965 9.070 364 HA TYR 48 HA TYR 48 92.155 -6.684 7.657 365 HB2 TYR 48 HB2 TYR 48 90.821 -7.192 10.279 366 HB3 TYR 48 HB3 TYR 48 91.402 -5.563 9.958 367 HD1 TYR 48 HD2 TYR 48 90.875 -4.703 7.477 368 HD2 TYR 48 HD1 TYR 48 88.643 -7.692 9.601 369 HE1 TYR 48 HE2 TYR 48 88.903 -4.241 6.054 370 HE2 TYR 48 HE1 TYR 48 86.670 -7.225 8.177 371 HH TYR 48 HH TYR 48 86.288 -4.532 6.394 372 H THR 49 H THR 49 93.538 -4.957 8.211 373 HA THR 49 HA THR 49 95.994 -5.813 9.515 374 HB THR 49 HB THR 49 96.908 -3.700 8.709 375 HG1 THR 49 HG1 THR 49 95.647 -2.126 8.001 376 HG21 THR 49 HG21 THR 49 96.435 -4.000 6.269 377 HG22 THR 49 HG22 THR 49 95.145 -5.125 6.699 378 HG23 THR 49 HG23 THR 49 96.821 -5.511 7.094 379 H ASP 50 H ASP 50 96.969 -4.718 11.277 380 HA ASP 50 HA ASP 50 95.416 -4.210 13.482 381 HB2 ASP 50 HB2 ASP 50 97.808 -4.503 13.680 382 HB3 ASP 50 HB1 ASP 50 98.104 -3.018 12.776 383 H ALA 51 H ALA 51 96.540 -1.857 11.068 384 HA ALA 51 HA ALA 51 95.669 0.496 12.247 385 HB1 ALA 51 HB1 ALA 51 95.600 -0.290 9.325 386 HB2 ALA 51 HB2 ALA 51 96.925 0.516 10.168 387 HB3 ALA 51 HB3 ALA 51 95.392 1.354 9.928 388 H ASN 52 H ASN 52 93.826 -1.552 9.975 389 HA ASN 52 HA ASN 52 91.374 -0.156 10.333 390 HB2 ASN 52 HB2 ASN 52 92.249 -2.704 9.067 391 HB3 ASN 52 HB1 ASN 52 90.545 -2.580 9.491 392 HD21 ASN 52 HD21 ASN 52 90.164 -2.573 7.085 393 HD22 ASN 52 HD22 ASN 52 90.344 -1.111 6.237 394 H LYS 53 H LYS 53 93.021 -2.622 12.103 395 HA LYS 53 HA LYS 53 90.721 -3.510 13.598 396 HB2 LYS 53 HB2 LYS 53 93.157 -4.615 13.005 397 HB3 LYS 53 HB3 LYS 53 93.430 -4.051 14.652 398 HG2 LYS 53 HG2 LYS 53 91.438 -5.241 15.412 399 HG3 LYS 53 HG3 LYS 53 91.109 -5.770 13.761 400 HD2 LYS 53 HD2 LYS 53 93.332 -6.916 13.733 401 HD3 LYS 53 HD3 LYS 53 93.541 -6.480 15.429 402 HE2 LYS 53 HE2 LYS 53 92.168 -8.150 16.128 403 HE3 LYS 53 HE3 LYS 53 90.956 -7.774 14.904 404 HZ1 LYS 53 HZ1 LYS 53 93.454 -9.007 14.018 405 HZ2 LYS 53 HZ2 LYS 53 91.877 -9.189 13.411 406 HZ3 LYS 53 HZ3 LYS 53 92.340 -9.990 14.837 407 H ASN 54 H ASN 54 92.936 -0.945 13.694 408 HA ASN 54 HA ASN 54 93.128 -0.505 16.476 409 HB2 ASN 54 HB2 ASN 54 94.235 1.411 15.899 410 HB3 ASN 54 HB1 ASN 54 94.355 0.564 14.364 411 HD21 ASN 54 HD21 ASN 54 91.621 0.959 13.491 412 HD22 ASN 54 HD22 ASN 54 91.411 2.615 13.189 413 H LYS 55 H LYS 55 90.597 -0.066 14.246 414 HA LYS 55 HA LYS 55 88.454 0.774 14.437 415 HB2 LYS 55 HB2 LYS 55 89.068 0.636 17.399 416 HB3 LYS 55 HB3 LYS 55 87.466 0.822 16.688 417 HG2 LYS 55 HG2 LYS 55 87.416 -1.361 15.883 418 HG3 LYS 55 HG3 LYS 55 89.173 -1.485 15.810 419 HD2 LYS 55 HD2 LYS 55 88.245 -2.848 17.659 420 HD3 LYS 55 HD3 LYS 55 89.289 -1.562 18.264 421 HE2 LYS 55 HE2 LYS 55 87.383 -0.195 18.848 422 HE3 LYS 55 HE3 LYS 55 86.277 -1.315 18.054 423 HZ1 LYS 55 HZ1 LYS 55 87.485 -1.466 20.659 424 HZ2 LYS 55 HZ2 LYS 55 87.614 -2.909 19.773 425 HZ3 LYS 55 HZ3 LYS 55 86.088 -2.223 20.068 426 H GLY 56 H GLY 56 89.809 2.705 13.546 427 HA2 GLY 56 HA2 GLY 56 90.047 4.946 15.382 428 HA3 GLY 56 HA3 GLY 56 90.474 4.941 13.676 429 H ILE 57 H ILE 57 88.005 4.047 12.605 430 HA ILE 57 HA ILE 57 86.006 5.983 13.532 431 HB ILE 57 HB ILE 57 85.743 6.973 11.313 432 HG12 ILE 57 HG12 ILE 57 87.826 6.459 9.745 433 HG13 ILE 57 HG13 ILE 57 87.857 4.940 10.635 434 HG21 ILE 57 HG21 ILE 57 87.697 8.357 11.358 435 HG22 ILE 57 HG22 ILE 57 88.663 7.080 12.097 436 HG23 ILE 57 HG23 ILE 57 87.393 7.876 13.027 437 HD11 ILE 57 HD11 ILE 57 85.221 5.858 9.545 438 HD12 ILE 57 HD12 ILE 57 85.845 4.222 9.748 439 HD13 ILE 57 HD13 ILE 57 86.410 5.219 8.413 440 H THR 58 H THR 58 84.078 5.850 11.819 441 HA THR 58 HA THR 58 83.525 2.971 11.408 442 HB THR 58 HB THR 58 81.764 5.223 12.355 443 HG1 THR 58 HG1 THR 58 82.189 4.189 14.113 444 HG21 THR 58 HG21 THR 58 81.021 2.742 10.858 445 HG22 THR 58 HG22 THR 58 80.245 4.325 10.860 446 HG23 THR 58 HG23 THR 58 80.004 3.222 12.215 447 H TRP 59 H TRP 59 82.670 2.317 9.486 448 HA TRP 59 HA TRP 59 83.082 3.935 7.198 449 HB2 TRP 59 HB2 TRP 59 81.259 1.535 7.256 450 HB3 TRP 59 HB1 TRP 59 82.271 2.121 5.933 451 HD1 TRP 59 HD1 TRP 59 84.978 2.510 7.457 452 HE1 TRP 59 HE1 TRP 59 86.314 0.460 8.268 453 HE3 TRP 59 HE3 TRP 59 81.270 -0.991 7.570 454 HZ2 TRP 59 HZ2 TRP 59 85.857 -2.301 8.912 455 HZ3 TRP 59 HZ3 TRP 59 81.745 -3.316 8.275 456 HH2 TRP 59 HH2 TRP 59 84.034 -3.971 8.947 457 H LYS 60 H LYS 60 81.746 5.178 6.019 458 HA LYS 60 HA LYS 60 78.873 5.190 6.467 459 HB2 LYS 60 HB2 LYS 60 80.606 7.591 7.116 460 HB3 LYS 60 HB3 LYS 60 78.852 7.645 6.949 461 HG2 LYS 60 HG2 LYS 60 78.784 5.783 8.719 462 HG3 LYS 60 HG3 LYS 60 80.478 6.168 9.023 463 HD2 LYS 60 HD2 LYS 60 78.323 8.290 9.061 464 HD3 LYS 60 HD3 LYS 60 78.750 7.363 10.498 465 HE2 LYS 60 HE2 LYS 60 81.136 8.081 10.174 466 HE3 LYS 60 HE3 LYS 60 80.592 9.131 8.866 467 HZ1 LYS 60 HZ1 LYS 60 80.691 9.799 11.493 468 HZ2 LYS 60 HZ2 LYS 60 79.049 9.430 11.264 469 HZ3 LYS 60 HZ3 LYS 60 79.798 10.613 10.303 470 H GLU 61 H GLU 61 78.333 7.631 5.189 471 HA GLU 61 HA GLU 61 78.866 6.890 2.460 472 HB2 GLU 61 HB2 GLU 61 76.709 7.868 3.106 473 HB3 GLU 61 HB3 GLU 61 77.524 9.353 3.603 474 HG2 GLU 61 HG2 GLU 61 78.234 9.814 1.354 475 HG3 GLU 61 HG3 GLU 61 77.722 8.221 0.803 476 H GLU 62 H GLU 62 79.549 9.858 4.332 477 HA GLU 62 HA GLU 62 81.327 10.925 2.383 478 HB2 GLU 62 HB2 GLU 62 80.931 11.565 5.314 479 HB3 GLU 62 HB3 GLU 62 81.977 12.492 4.237 480 HG2 GLU 62 HG2 GLU 62 79.067 11.967 3.608 481 HG3 GLU 62 HG3 GLU 62 79.593 13.376 4.527 482 H THR 63 H THR 63 81.837 9.132 5.407 483 HA THR 63 HA THR 63 84.610 9.292 5.576 484 HB THR 63 HB THR 63 84.494 7.159 6.805 485 HG1 THR 63 HG1 THR 63 82.744 6.460 5.226 486 HG21 THR 63 HG21 THR 63 82.319 9.190 7.294 487 HG22 THR 63 HG22 THR 63 83.891 9.068 8.084 488 HG23 THR 63 HG23 THR 63 82.643 7.866 8.410 489 H LEU 64 H LEU 64 82.557 7.221 3.611 490 HA LEU 64 HA LEU 64 84.654 5.568 2.615 491 HB2 LEU 64 HB2 LEU 64 81.792 5.887 2.202 492 HB3 LEU 64 HB3 LEU 64 82.634 5.585 0.691 493 HG LEU 64 HG LEU 64 83.038 3.898 3.171 494 HD11 LEU 64 HD11 LEU 64 80.906 3.886 1.121 495 HD12 LEU 64 HD12 LEU 64 80.913 3.201 2.742 496 HD13 LEU 64 HD13 LEU 64 81.657 2.319 1.410 497 HD21 LEU 64 HD21 LEU 64 83.968 3.807 0.310 498 HD22 LEU 64 HD22 LEU 64 83.721 2.290 1.173 499 HD23 LEU 64 HD23 LEU 64 84.871 3.474 1.787 500 H MET 65 H MET 65 83.211 8.622 1.602 501 HA MET 65 HA MET 65 84.299 8.751 -0.992 502 HB2 MET 65 HB2 MET 65 83.618 10.976 0.935 503 HB3 MET 65 HB1 MET 65 83.993 11.211 -0.771 504 HG2 MET 65 HG2 MET 65 82.093 9.934 -1.459 505 HG3 MET 65 HG1 MET 65 81.808 9.355 0.182 506 HE1 MET 65 HE1 MET 65 81.881 12.390 -2.214 507 HE2 MET 65 HE2 MET 65 80.292 13.050 -1.835 508 HE3 MET 65 HE3 MET 65 80.437 11.380 -2.376 509 H GLU 66 H GLU 66 85.524 10.295 1.992 510 HA GLU 66 HA GLU 66 87.933 11.211 0.865 511 HB2 GLU 66 HB2 GLU 66 87.519 10.380 3.745 512 HB3 GLU 66 HB3 GLU 66 88.686 11.549 3.126 513 HG2 GLU 66 HG2 GLU 66 86.644 12.834 2.216 514 HG3 GLU 66 HG3 GLU 66 85.682 11.809 3.279 515 H TYR 67 H TYR 67 86.947 8.134 2.143 516 HA TYR 67 HA TYR 67 89.599 6.998 2.254 517 HB2 TYR 67 HB2 TYR 67 87.987 6.096 3.762 518 HB3 TYR 67 HB3 TYR 67 86.814 5.864 2.473 519 HD1 TYR 67 HD2 TYR 67 87.033 4.031 0.866 520 HD2 TYR 67 HD1 TYR 67 89.866 4.562 4.049 521 HE1 TYR 67 HE2 TYR 67 87.895 1.738 0.482 522 HE2 TYR 67 HE1 TYR 67 90.727 2.268 3.666 523 HH TYR 67 HH TYR 67 89.802 0.398 0.895 524 H LEU 68 H LEU 68 87.042 7.297 -0.088 525 HA LEU 68 HA LEU 68 88.027 5.241 -1.849 526 HB2 LEU 68 HB2 LEU 68 85.788 7.174 -1.811 527 HB3 LEU 68 HB3 LEU 68 86.387 6.763 -3.412 528 HG LEU 68 HG LEU 68 85.630 4.707 -1.318 529 HD11 LEU 68 HD11 LEU 68 83.572 5.673 -1.834 530 HD12 LEU 68 HD12 LEU 68 83.674 4.391 -3.037 531 HD13 LEU 68 HD13 LEU 68 84.039 6.057 -3.489 532 HD21 LEU 68 HD21 LEU 68 86.638 4.624 -4.130 533 HD22 LEU 68 HD22 LEU 68 85.418 3.444 -3.670 534 HD23 LEU 68 HD23 LEU 68 86.941 3.520 -2.792 535 H GLU 69 H GLU 69 88.765 8.557 -1.278 536 HA GLU 69 HA GLU 69 90.007 8.891 -3.914 537 HB2 GLU 69 HB2 GLU 69 89.878 11.143 -3.562 538 HB3 GLU 69 HB3 GLU 69 88.655 10.669 -2.388 539 HG2 GLU 69 HG2 GLU 69 90.507 10.561 -0.655 540 HG3 GLU 69 HG3 GLU 69 91.568 11.303 -1.851 541 H ASN 70 H ASN 70 90.809 7.796 -0.832 542 HA ASN 70 HA ASN 70 93.546 7.392 -1.503 543 HB2 ASN 70 HB2 ASN 70 93.252 9.931 -0.800 544 HB3 ASN 70 HB1 ASN 70 93.298 9.258 0.825 545 HD21 ASN 70 HD21 ASN 70 95.170 7.158 0.463 546 HD22 ASN 70 HD22 ASN 70 96.674 7.827 0.049 547 HA PRO 71 HA PRO 71 91.342 4.641 1.630 548 HB2 PRO 71 HB2 PRO 71 93.020 2.733 0.053 549 HB3 PRO 71 HB1 PRO 71 91.349 2.563 0.621 550 HG2 PRO 71 HG2 PRO 71 91.905 3.091 -1.930 551 HG3 PRO 71 HG1 PRO 71 90.488 3.785 -1.122 552 HD2 PRO 71 HD2 PRO 71 93.051 5.109 -1.891 553 HD3 PRO 71 HD1 PRO 71 91.417 5.797 -1.764 554 H LYS 72 H LYS 72 94.707 4.759 0.520 555 HA LYS 72 HA LYS 72 95.784 3.437 2.821 556 HB2 LYS 72 HB2 LYS 72 96.895 3.487 0.598 557 HB3 LYS 72 HB3 LYS 72 97.191 5.210 0.819 558 HG2 LYS 72 HG2 LYS 72 99.054 4.740 2.001 559 HG3 LYS 72 HG3 LYS 72 98.077 3.894 3.197 560 HD2 LYS 72 HD2 LYS 72 98.996 2.595 0.620 561 HD3 LYS 72 HD3 LYS 72 99.920 2.511 2.119 562 HE2 LYS 72 HE2 LYS 72 97.101 1.489 1.670 563 HE3 LYS 72 HE3 LYS 72 98.546 0.521 1.962 564 HZ1 LYS 72 HZ1 LYS 72 97.118 2.301 3.837 565 HZ2 LYS 72 HZ2 LYS 72 98.730 1.838 4.111 566 HZ3 LYS 72 HZ3 LYS 72 97.508 0.661 4.024 567 H LYS 73 H LYS 73 95.686 6.846 1.789 568 HA LYS 73 HA LYS 73 97.089 7.857 4.010 569 HB2 LYS 73 HB2 LYS 73 96.743 9.102 1.894 570 HB3 LYS 73 HB3 LYS 73 95.041 9.291 2.308 571 HG2 LYS 73 HG2 LYS 73 96.912 10.110 4.452 572 HG3 LYS 73 HG3 LYS 73 97.007 11.087 2.989 573 HD2 LYS 73 HD2 LYS 73 94.564 11.457 3.078 574 HD3 LYS 73 HD3 LYS 73 94.474 10.494 4.552 575 HE2 LYS 73 HE2 LYS 73 94.567 12.761 5.285 576 HE3 LYS 73 HE3 LYS 73 96.189 12.117 5.542 577 HZ1 LYS 73 HZ1 LYS 73 96.634 14.068 4.460 578 HZ2 LYS 73 HZ2 LYS 73 95.237 13.996 3.495 579 HZ3 LYS 73 HZ3 LYS 73 96.568 12.998 3.145 580 H TYR 74 H TYR 74 93.665 7.148 3.539 581 HA TYR 74 HA TYR 74 92.708 8.608 5.770 582 HB2 TYR 74 HB2 TYR 74 91.493 7.294 3.748 583 HB3 TYR 74 HB3 TYR 74 91.293 6.102 5.031 584 HD1 TYR 74 HD1 TYR 74 91.035 9.821 4.551 585 HD2 TYR 74 HD2 TYR 74 89.398 6.297 6.386 586 HE1 TYR 74 HE1 TYR 74 89.195 11.176 5.515 587 HE2 TYR 74 HE2 TYR 74 87.559 7.654 7.347 588 HH TYR 74 HH TYR 74 87.601 10.802 7.728 589 H ILE 75 H ILE 75 93.301 5.097 5.449 590 HA ILE 75 HA ILE 75 93.884 5.026 8.351 591 HB ILE 75 HB ILE 75 92.422 2.884 6.787 592 HG12 ILE 75 HG12 ILE 75 91.264 4.661 8.941 593 HG13 ILE 75 HG13 ILE 75 91.195 5.118 7.241 594 HG21 ILE 75 HG21 ILE 75 91.944 2.132 9.209 595 HG22 ILE 75 HG22 ILE 75 93.255 3.214 9.676 596 HG23 ILE 75 HG23 ILE 75 93.573 1.858 8.594 597 HD11 ILE 75 HD11 ILE 75 90.114 2.536 8.405 598 HD12 ILE 75 HD12 ILE 75 90.040 3.010 6.708 599 HD13 ILE 75 HD13 ILE 75 89.143 3.926 7.920 600 HA PRO 76 HA PRO 76 97.535 3.690 5.670 601 HB2 PRO 76 HB2 PRO 76 98.635 4.368 8.383 602 HB3 PRO 76 HB1 PRO 76 99.337 4.666 6.780 603 HG2 PRO 76 HG2 PRO 76 98.128 6.608 8.156 604 HG3 PRO 76 HG1 PRO 76 98.015 6.504 6.391 605 HD2 PRO 76 HD2 PRO 76 95.925 5.974 8.427 606 HD3 PRO 76 HD1 PRO 76 95.742 6.396 6.711 607 H GLY 77 H GLY 77 98.774 1.770 5.859 608 HA2 GLY 77 HA2 GLY 77 99.479 -0.243 6.857 609 HA3 GLY 77 HA3 GLY 77 98.368 0.051 8.192 610 H THR 78 H THR 78 96.175 0.701 6.275 611 HA THR 78 HA THR 78 94.889 -1.771 6.163 612 HB THR 78 HB THR 78 93.751 0.428 5.964 613 HG1 THR 78 HG1 THR 78 93.148 -0.947 3.613 614 HG21 THR 78 HG21 THR 78 94.739 0.376 3.108 615 HG22 THR 78 HG22 THR 78 95.492 1.345 4.375 616 HG23 THR 78 HG23 THR 78 93.821 1.654 3.904 617 H LYS 79 H LYS 79 94.674 -3.354 4.600 618 HA LYS 79 HA LYS 79 96.786 -3.374 2.574 619 HB2 LYS 79 HB2 LYS 79 95.833 -5.331 4.210 620 HB3 LYS 79 HB3 LYS 79 94.918 -5.667 2.745 621 HG2 LYS 79 HG2 LYS 79 96.861 -6.909 2.376 622 HG3 LYS 79 HG3 LYS 79 97.249 -5.398 1.553 623 HD2 LYS 79 HD2 LYS 79 98.238 -4.662 3.847 624 HD3 LYS 79 HD3 LYS 79 98.212 -6.382 4.236 625 HE2 LYS 79 HE2 LYS 79 99.638 -5.084 1.897 626 HE3 LYS 79 HE3 LYS 79 100.391 -5.819 3.311 627 HZ1 LYS 79 HZ1 LYS 79 98.856 -7.818 2.469 628 HZ2 LYS 79 HZ2 LYS 79 100.467 -7.606 1.976 629 HZ3 LYS 79 HZ3 LYS 79 99.195 -7.073 0.984 630 H MET 80 H MET 80 96.049 -1.904 1.040 631 HA MET 80 HA MET 80 94.416 -2.928 -1.014 632 HB2 MET 80 HB2 MET 80 92.508 -2.501 0.385 633 HB3 MET 80 HB1 MET 80 93.099 -0.890 0.793 634 HG2 MET 80 HG2 MET 80 92.702 -0.067 -1.399 635 HG3 MET 80 HG1 MET 80 92.538 -1.690 -2.066 636 HE1 MET 80 HE1 MET 80 89.165 0.594 -2.032 637 HE2 MET 80 HE2 MET 80 90.789 0.551 -2.713 638 HE3 MET 80 HE3 MET 80 90.506 1.371 -1.182 639 H ILE 81 H ILE 81 96.049 -2.239 -2.342 640 HA ILE 81 HA ILE 81 96.297 0.689 -2.689 641 HB ILE 81 HB ILE 81 98.513 -1.365 -2.929 642 HG12 ILE 81 HG12 ILE 81 99.435 0.312 -1.093 643 HG13 ILE 81 HG13 ILE 81 97.725 0.651 -0.836 644 HG21 ILE 81 HG21 ILE 81 99.887 0.782 -3.197 645 HG22 ILE 81 HG22 ILE 81 98.355 1.601 -3.497 646 HG23 ILE 81 HG23 ILE 81 98.892 0.313 -4.576 647 HD11 ILE 81 HD11 ILE 81 97.781 -1.143 0.554 648 HD12 ILE 81 HD12 ILE 81 99.291 -1.740 -0.131 649 HD13 ILE 81 HD13 ILE 81 97.759 -2.112 -0.918 650 H PHE 82 H PHE 82 95.269 1.116 -4.545 651 HA PHE 82 HA PHE 82 96.060 -0.370 -6.949 652 HB2 PHE 82 HB2 PHE 82 94.053 -1.527 -6.303 653 HB3 PHE 82 HB1 PHE 82 93.204 -0.008 -6.018 654 HD1 PHE 82 HD1 PHE 82 95.224 -1.594 -8.765 655 HD2 PHE 82 HD2 PHE 82 91.730 0.663 -7.693 656 HE1 PHE 82 HE1 PHE 82 94.525 -1.544 -11.144 657 HE2 PHE 82 HE2 PHE 82 91.031 0.713 -10.071 658 HZ PHE 82 HZ PHE 82 92.429 -0.391 -11.797 659 H ALA 83 H ALA 83 93.325 1.826 -6.570 660 HA ALA 83 HA ALA 83 94.788 4.143 -7.471 661 HB1 ALA 83 HB1 ALA 83 93.392 4.359 -9.576 662 HB2 ALA 83 HB2 ALA 83 92.949 2.666 -9.360 663 HB3 ALA 83 HB3 ALA 83 94.636 3.110 -9.621 664 H GLY 84 H GLY 84 93.896 5.598 -6.149 665 HA2 GLY 84 HA2 GLY 84 91.304 5.438 -5.041 666 HA3 GLY 84 HA3 GLY 84 92.325 6.873 -5.050 667 H ILE 85 H ILE 85 89.792 7.468 -5.296 668 HA ILE 85 HA ILE 85 88.965 7.492 -8.096 669 HB ILE 85 HB ILE 85 87.690 8.553 -5.571 670 HG12 ILE 85 HG12 ILE 85 87.869 5.992 -6.223 671 HG13 ILE 85 HG13 ILE 85 86.354 6.644 -5.611 672 HG21 ILE 85 HG21 ILE 85 86.852 8.721 -8.463 673 HG22 ILE 85 HG22 ILE 85 86.891 10.003 -7.252 674 HG23 ILE 85 HG23 ILE 85 85.661 8.741 -7.163 675 HD11 ILE 85 HD11 ILE 85 86.883 6.657 -8.571 676 HD12 ILE 85 HD12 ILE 85 85.341 6.637 -7.715 677 HD13 ILE 85 HD13 ILE 85 86.330 5.180 -7.782 678 H LYS 86 H LYS 86 88.427 9.493 -9.200 679 HA LYS 86 HA LYS 86 90.357 11.614 -8.557 680 HB2 LYS 86 HB2 LYS 86 88.912 10.768 -11.049 681 HB3 LYS 86 HB3 LYS 86 89.579 12.397 -10.925 682 HG2 LYS 86 HG2 LYS 86 91.799 11.452 -10.404 683 HG3 LYS 86 HG3 LYS 86 91.135 9.823 -10.532 684 HD2 LYS 86 HD2 LYS 86 90.681 10.087 -12.864 685 HD3 LYS 86 HD3 LYS 86 90.968 11.826 -12.792 686 HE2 LYS 86 HE2 LYS 86 93.347 11.366 -12.183 687 HE3 LYS 86 HE3 LYS 86 93.036 9.644 -12.396 688 HZ1 LYS 86 HZ1 LYS 86 93.326 9.875 -14.563 689 HZ2 LYS 86 HZ2 LYS 86 93.687 11.521 -14.348 690 HZ3 LYS 86 HZ3 LYS 86 92.087 11.031 -14.645 691 H LYS 87 H LYS 87 87.119 11.679 -10.069 692 HA LYS 87 HA LYS 87 86.607 14.273 -8.876 693 HB2 LYS 87 HB2 LYS 87 84.794 12.551 -10.575 694 HB3 LYS 87 HB3 LYS 87 84.581 14.263 -10.210 695 HG2 LYS 87 HG2 LYS 87 86.629 14.826 -11.387 696 HG3 LYS 87 HG3 LYS 87 86.996 13.120 -11.643 697 HD2 LYS 87 HD2 LYS 87 84.326 13.732 -12.618 698 HD3 LYS 87 HD3 LYS 87 85.511 14.809 -13.355 699 HE2 LYS 87 HE2 LYS 87 86.837 12.928 -14.117 700 HE3 LYS 87 HE3 LYS 87 85.809 11.795 -13.239 701 HZ1 LYS 87 HZ1 LYS 87 85.303 13.218 -15.732 702 HZ2 LYS 87 HZ2 LYS 87 83.979 13.016 -14.686 703 HZ3 LYS 87 HZ3 LYS 87 84.830 11.660 -15.256 704 H LYS 88 H LYS 88 84.555 14.736 -7.777 705 HA LYS 88 HA LYS 88 84.190 13.002 -5.535 706 HB2 LYS 88 HB2 LYS 88 83.925 15.323 -5.127 707 HB3 LYS 88 HB3 LYS 88 82.808 15.514 -6.474 708 HG2 LYS 88 HG2 LYS 88 81.963 13.551 -4.403 709 HG3 LYS 88 HG3 LYS 88 82.016 15.229 -3.867 710 HD2 LYS 88 HD2 LYS 88 80.696 15.754 -6.044 711 HD3 LYS 88 HD3 LYS 88 80.366 14.023 -6.088 712 HE2 LYS 88 HE2 LYS 88 78.535 14.940 -4.901 713 HE3 LYS 88 HE3 LYS 88 79.590 14.295 -3.644 714 HZ1 LYS 88 HZ1 LYS 88 80.593 16.594 -3.562 715 HZ2 LYS 88 HZ2 LYS 88 79.016 16.444 -2.950 716 HZ3 LYS 88 HZ3 LYS 88 79.272 17.113 -4.491 717 H THR 89 H THR 89 82.100 13.904 -8.295 718 HA THR 89 HA THR 89 79.869 12.383 -7.647 719 HB THR 89 HB THR 89 79.436 12.266 -10.093 720 HG1 THR 89 HG1 THR 89 81.106 13.621 -11.258 721 HG21 THR 89 HG21 THR 89 78.849 14.268 -8.749 722 HG22 THR 89 HG22 THR 89 79.268 14.690 -10.410 723 HG23 THR 89 HG23 THR 89 80.432 14.956 -9.112 724 H GLU 90 H GLU 90 82.987 11.359 -8.810 725 HA GLU 90 HA GLU 90 82.202 8.762 -9.694 726 HB2 GLU 90 HB2 GLU 90 84.827 10.000 -8.893 727 HB3 GLU 90 HB3 GLU 90 84.710 8.277 -9.237 728 HG2 GLU 90 HG2 GLU 90 83.793 8.773 -11.462 729 HG3 GLU 90 HG3 GLU 90 83.881 10.500 -11.122 730 H ARG 91 H ARG 91 83.316 10.128 -6.638 731 HA ARG 91 HA ARG 91 83.366 7.630 -5.227 732 HB2 ARG 91 HB2 ARG 91 83.178 10.456 -4.143 733 HB3 ARG 91 HB3 ARG 91 83.636 9.019 -3.232 734 HG2 ARG 91 HG2 ARG 91 85.547 8.707 -4.844 735 HG3 ARG 91 HG3 ARG 91 85.146 10.282 -5.529 736 HD2 ARG 91 HD2 ARG 91 85.240 10.637 -2.716 737 HD3 ARG 91 HD3 ARG 91 86.663 9.692 -3.144 738 HE ARG 91 HE ARG 91 86.653 11.688 -5.002 739 HH11 ARG 91 HH21 ARG 91 86.426 11.563 -1.548 740 HH12 ARG 91 HH22 ARG 91 87.188 13.099 -1.308 741 HH21 ARG 91 HH11 ARG 91 87.653 13.701 -4.688 742 HH22 ARG 91 HH12 ARG 91 87.882 14.309 -3.083 743 H GLU 92 H GLU 92 81.126 10.406 -5.312 744 HA GLU 92 HA GLU 92 79.207 9.396 -3.536 745 HB2 GLU 92 HB2 GLU 92 79.321 11.744 -4.469 746 HB3 GLU 92 HB3 GLU 92 78.623 11.111 -5.959 747 HG2 GLU 92 HG2 GLU 92 76.711 10.205 -4.596 748 HG3 GLU 92 HG3 GLU 92 77.377 11.050 -3.199 749 H ASP 93 H ASP 93 79.252 9.257 -7.112 750 HA ASP 93 HA ASP 93 76.965 7.649 -7.404 751 HB2 ASP 93 HB2 ASP 93 79.429 7.866 -9.150 752 HB3 ASP 93 HB1 ASP 93 77.936 7.059 -9.627 753 H LEU 94 H LEU 94 80.404 6.758 -7.220 754 HA LEU 94 HA LEU 94 80.110 3.981 -7.453 755 HB2 LEU 94 HB2 LEU 94 82.300 5.050 -7.578 756 HB3 LEU 94 HB3 LEU 94 82.152 5.582 -5.905 757 HG LEU 94 HG LEU 94 82.140 3.283 -5.120 758 HD11 LEU 94 HD11 LEU 94 81.982 2.720 -8.064 759 HD12 LEU 94 HD12 LEU 94 81.056 2.009 -6.742 760 HD13 LEU 94 HD13 LEU 94 82.737 1.540 -6.993 761 HD21 LEU 94 HD21 LEU 94 84.419 2.704 -5.644 762 HD22 LEU 94 HD22 LEU 94 84.319 4.462 -5.599 763 HD23 LEU 94 HD23 LEU 94 84.364 3.619 -7.147 764 H ILE 95 H ILE 95 79.858 6.125 -4.681 765 HA ILE 95 HA ILE 95 79.646 3.994 -2.785 766 HB ILE 95 HB ILE 95 79.356 6.972 -2.661 767 HG12 ILE 95 HG12 ILE 95 81.027 5.364 -0.792 768 HG13 ILE 95 HG13 ILE 95 81.503 5.309 -2.483 769 HG21 ILE 95 HG21 ILE 95 78.391 4.936 -0.672 770 HG22 ILE 95 HG22 ILE 95 77.663 6.475 -1.128 771 HG23 ILE 95 HG23 ILE 95 79.085 6.449 -0.086 772 HD11 ILE 95 HD11 ILE 95 82.224 7.455 -2.478 773 HD12 ILE 95 HD12 ILE 95 82.283 7.255 -0.732 774 HD13 ILE 95 HD13 ILE 95 80.884 8.015 -1.480 775 H ALA 96 H ALA 96 77.452 5.825 -4.753 776 HA ALA 96 HA ALA 96 75.061 5.285 -3.324 777 HB1 ALA 96 HB1 ALA 96 75.457 5.695 -6.302 778 HB2 ALA 96 HB2 ALA 96 75.214 6.982 -5.120 779 HB3 ALA 96 HB3 ALA 96 73.926 5.818 -5.432 780 H TYR 97 H TYR 97 76.948 3.528 -5.716 781 HA TYR 97 HA TYR 97 75.018 1.416 -6.035 782 HB2 TYR 97 HB2 TYR 97 76.495 1.787 -7.881 783 HB3 TYR 97 HB3 TYR 97 77.918 1.689 -6.844 784 HD1 TYR 97 HD1 TYR 97 75.079 -0.280 -8.235 785 HD2 TYR 97 HD2 TYR 97 78.893 -0.412 -6.266 786 HE1 TYR 97 HE1 TYR 97 75.169 -2.732 -8.577 787 HE2 TYR 97 HE2 TYR 97 78.982 -2.867 -6.610 788 HH TYR 97 HH TYR 97 76.468 -4.725 -7.242 789 H LEU 98 H LEU 98 78.149 1.761 -4.347 790 HA LEU 98 HA LEU 98 78.336 -0.786 -3.259 791 HB2 LEU 98 HB2 LEU 98 79.227 1.908 -2.251 792 HB3 LEU 98 HB3 LEU 98 79.531 0.446 -1.321 793 HG LEU 98 HG LEU 98 80.279 0.522 -4.236 794 HD11 LEU 98 HD11 LEU 98 82.069 1.497 -1.998 795 HD12 LEU 98 HD12 LEU 98 81.250 2.563 -3.137 796 HD13 LEU 98 HD13 LEU 98 82.460 1.421 -3.715 797 HD21 LEU 98 HD21 LEU 98 81.921 -0.726 -2.080 798 HD22 LEU 98 HD22 LEU 98 81.575 -1.307 -3.706 799 HD23 LEU 98 HD23 LEU 98 80.365 -1.478 -2.434 800 H LYS 99 H LYS 99 76.153 1.786 -2.521 801 HA LYS 99 HA LYS 99 75.396 0.794 0.088 802 HB2 LYS 99 HB2 LYS 99 74.494 3.008 -1.713 803 HB3 LYS 99 HB3 LYS 99 73.412 2.472 -0.429 804 HG2 LYS 99 HG2 LYS 99 75.387 2.740 1.171 805 HG3 LYS 99 HG3 LYS 99 76.218 3.571 -0.144 806 HD2 LYS 99 HD2 LYS 99 73.489 4.383 0.896 807 HD3 LYS 99 HD3 LYS 99 75.000 5.107 1.446 808 HE2 LYS 99 HE2 LYS 99 75.489 5.584 -1.030 809 HE3 LYS 99 HE3 LYS 99 73.795 5.193 -1.324 810 HZ1 LYS 99 HZ1 LYS 99 74.436 7.086 0.815 811 HZ2 LYS 99 HZ2 LYS 99 73.073 7.016 -0.196 812 HZ3 LYS 99 HZ3 LYS 99 74.545 7.627 -0.788 813 H LYS 100 H LYS 100 73.921 0.849 -3.151 814 HA LYS 100 HA LYS 100 71.668 -0.745 -2.297 815 HB2 LYS 100 HB2 LYS 100 72.634 0.214 -4.991 816 HB3 LYS 100 HB3 LYS 100 71.214 -0.816 -4.799 817 HG2 LYS 100 HG2 LYS 100 70.046 0.824 -3.556 818 HG3 LYS 100 HG3 LYS 100 71.515 1.744 -3.230 819 HD2 LYS 100 HD2 LYS 100 71.699 2.283 -5.644 820 HD3 LYS 100 HD3 LYS 100 70.195 1.407 -5.939 821 HE2 LYS 100 HE2 LYS 100 68.912 2.966 -4.692 822 HE3 LYS 100 HE3 LYS 100 70.347 3.669 -3.943 823 HZ1 LYS 100 HZ1 LYS 100 71.028 4.505 -6.096 824 HZ2 LYS 100 HZ2 LYS 100 69.474 5.073 -5.710 825 HZ3 LYS 100 HZ3 LYS 100 69.666 3.811 -6.831 826 H ALA 101 H ALA 101 74.861 -1.379 -3.294 827 HA ALA 101 HA ALA 101 74.314 -4.039 -4.340 828 HB1 ALA 101 HB1 ALA 101 77.006 -2.838 -3.682 829 HB2 ALA 101 HB2 ALA 101 76.161 -2.517 -5.196 830 HB3 ALA 101 HB3 ALA 101 76.652 -4.162 -4.792 831 H THR 102 H THR 102 75.476 -2.510 -1.403 832 HA THR 102 HA THR 102 76.133 -5.076 -0.169 833 HB THR 102 HB THR 102 76.740 -3.650 1.790 834 HG1 THR 102 HG1 THR 102 75.272 -1.900 0.438 835 HG21 THR 102 HG21 THR 102 78.649 -2.511 0.630 836 HG22 THR 102 HG22 THR 102 77.891 -2.913 -0.911 837 HG23 THR 102 HG23 THR 102 78.443 -4.199 0.161 838 H ASN 103 H ASN 103 73.390 -3.401 -0.777 839 HA ASN 103 HA ASN 103 72.066 -4.005 1.776 840 HB2 ASN 103 HB2 ASN 103 71.364 -2.341 -0.627 841 HB3 ASN 103 HB1 ASN 103 70.134 -2.812 0.535 842 HD21 ASN 103 HD21 ASN 103 73.451 -2.233 1.573 843 HD22 ASN 103 HD22 ASN 103 73.123 -0.793 2.406 844 H GLU 104 H GLU 104 72.374 -5.099 -1.484 845 HA GLU 104 HA GLU 104 69.933 -6.555 -1.683 846 HB2 GLU 104 HB2 GLU 104 72.580 -6.744 -3.119 847 HB3 GLU 104 HB3 GLU 104 71.238 -7.830 -3.482 848 HG2 GLU 104 HG2 GLU 104 70.765 -4.861 -3.420 849 HG3 GLU 104 HG3 GLU 104 71.502 -5.593 -4.843 850 HHA HEC 201 HA HEC 105 89.340 -3.369 3.281 851 HHB HEC 201 HB HEC 105 85.593 0.139 -0.403 852 HHC HEC 201 HC HEC 105 88.829 -1.784 -5.494 853 HHD HEC 201 HD HEC 105 92.154 -5.753 -1.858 854 HMA1 HEC 201 HMA1 HEC 105 84.528 -0.446 2.062 855 HMA2 HEC 201 HMA2 HEC 105 85.549 0.966 1.803 856 HMA3 HEC 201 HMA3 HEC 105 85.529 0.170 3.374 857 HAA1 HEC 201 HAA1 HEC 105 87.027 -0.724 4.538 858 HAA2 HEC 201 HAA2 HEC 105 88.398 -1.809 4.511 859 HBA1 HEC 201 HBA1 HEC 105 87.103 -3.686 4.815 860 HBA2 HEC 201 HBA2 HEC 105 85.707 -2.992 3.996 861 HMB1 HEC 201 HMB1 HEC 105 85.200 1.629 -2.259 862 HMB2 HEC 201 HMB2 HEC 105 84.171 0.261 -2.679 863 HMB3 HEC 201 HMB3 HEC 105 84.877 1.253 -3.948 864 HAB HEC 201 HAB HEC 105 87.331 -0.580 -6.172 865 HBB1 HEC 201 HBB1 HEC 105 86.321 1.852 -6.514 866 HBB2 HEC 201 HBB2 HEC 105 86.760 2.027 -4.816 867 HBB3 HEC 201 HBB3 HEC 105 87.995 1.633 -6.007 868 HMC1 HEC 201 HMC1 HEC 105 89.760 -3.646 -6.828 869 HMC2 HEC 201 HMC2 HEC 105 91.411 -4.258 -6.776 870 HMC3 HEC 201 HMC3 HEC 105 91.103 -2.531 -6.596 871 HAC HEC 201 HAC HEC 105 92.616 -6.190 -3.780 872 HBC1 HEC 201 HBC1 HEC 105 93.527 -5.504 -6.358 873 HBC2 HEC 201 HBC2 HEC 105 94.369 -5.230 -4.834 874 HBC3 HEC 201 HBC3 HEC 105 93.338 -3.970 -5.511 875 HMD1 HEC 201 HMD1 HEC 105 93.434 -6.215 0.008 876 HMD2 HEC 201 HMD2 HEC 105 92.224 -7.429 0.428 877 HMD3 HEC 201 HMD3 HEC 105 93.114 -6.592 1.697 878 HAD1 HEC 201 HAD1 HEC 105 91.688 -6.270 3.336 879 HAD2 HEC 201 HAD2 HEC 105 90.412 -5.196 3.861 880 HBD1 HEC 201 HBD1 HEC 105 92.655 -3.555 3.216 881 HBD2 HEC 201 HBD2 HEC 105 93.251 -4.896 4.187 882 H1 HOH 301 H2 HOH 200 81.656 3.353 -0.833 883 H2 HOH 301 H1 HOH 200 80.725 2.202 -0.512 884 H1 HOH 302 H2 HOH 201 85.551 5.524 6.311 885 H2 HOH 302 H1 HOH 201 86.218 6.679 5.598 886 H1 HOH 303 H2 HOH 202 82.794 -5.234 5.625 887 H2 HOH 303 H1 HOH 202 81.910 -5.847 6.688 888 H1 HOH 304 H2 HOH 203 82.223 -9.917 0.318 889 H2 HOH 304 H1 HOH 203 81.540 -11.205 0.723 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 73.699 11.441 -7.762 2 H2 GLY 1 H2 GLY 1 74.552 11.716 -6.318 3 H3 GLY 1 H3 GLY 1 73.014 10.993 -6.276 4 HA2 GLY 1 HA2 GLY 1 75.564 9.836 -7.229 5 HA3 GLY 1 HA3 GLY 1 74.487 9.222 -5.973 6 H ASP 2 H ASP 2 75.481 8.584 -8.985 7 HA ASP 2 HA ASP 2 72.841 7.671 -9.963 8 HB2 ASP 2 HB2 ASP 2 75.448 8.140 -11.421 9 HB3 ASP 2 HB1 ASP 2 74.006 7.441 -12.157 10 H VAL 3 H VAL 3 72.745 5.809 -8.672 11 HA VAL 3 HA VAL 3 74.614 3.875 -8.205 12 HB VAL 3 HB VAL 3 72.398 3.705 -7.270 13 HG11 VAL 3 HG11 VAL 3 71.186 4.697 -9.189 14 HG12 VAL 3 HG12 VAL 3 70.445 3.183 -8.671 15 HG13 VAL 3 HG13 VAL 3 71.460 3.220 -10.113 16 HG21 VAL 3 HG21 VAL 3 72.602 1.375 -9.182 17 HG22 VAL 3 HG22 VAL 3 72.052 1.374 -7.506 18 HG23 VAL 3 HG23 VAL 3 73.761 1.593 -7.873 19 H GLU 4 H GLU 4 73.303 4.799 -11.245 20 HA GLU 4 HA GLU 4 73.768 2.328 -12.626 21 HB2 GLU 4 HB2 GLU 4 73.635 5.089 -13.844 22 HB3 GLU 4 HB3 GLU 4 73.274 3.548 -14.623 23 HG2 GLU 4 HG2 GLU 4 71.437 3.241 -12.886 24 HG3 GLU 4 HG3 GLU 4 71.702 4.925 -12.435 25 H LYS 5 H LYS 5 75.467 5.473 -12.763 26 HA LYS 5 HA LYS 5 77.724 4.347 -14.126 27 HB2 LYS 5 HB2 LYS 5 77.081 7.009 -12.892 28 HB3 LYS 5 HB3 LYS 5 78.749 6.640 -13.329 29 HG2 LYS 5 HG2 LYS 5 78.261 6.476 -15.609 30 HG3 LYS 5 HG3 LYS 5 76.554 6.137 -15.325 31 HD2 LYS 5 HD2 LYS 5 77.657 8.789 -14.450 32 HD3 LYS 5 HD3 LYS 5 77.327 8.532 -16.163 33 HE2 LYS 5 HE2 LYS 5 75.027 8.179 -15.796 34 HE3 LYS 5 HE3 LYS 5 75.259 7.846 -14.079 35 HZ1 LYS 5 HZ1 LYS 5 74.344 10.047 -14.418 36 HZ2 LYS 5 HZ2 LYS 5 75.654 10.471 -15.413 37 HZ3 LYS 5 HZ3 LYS 5 75.903 10.157 -13.761 38 H GLY 6 H GLY 6 76.713 4.543 -10.865 39 HA2 GLY 6 HA2 GLY 6 79.289 4.424 -9.617 40 HA3 GLY 6 HA3 GLY 6 77.746 4.004 -8.866 41 H LYS 7 H LYS 7 76.937 2.126 -10.838 42 HA LYS 7 HA LYS 7 78.174 -0.235 -9.846 43 HB2 LYS 7 HB2 LYS 7 75.811 -0.102 -10.647 44 HB3 LYS 7 HB3 LYS 7 76.419 0.082 -12.292 45 HG2 LYS 7 HG2 LYS 7 77.614 -2.089 -12.064 46 HG3 LYS 7 HG3 LYS 7 76.917 -2.279 -10.456 47 HD2 LYS 7 HD2 LYS 7 75.387 -3.477 -11.738 48 HD3 LYS 7 HD3 LYS 7 74.634 -1.883 -11.727 49 HE2 LYS 7 HE2 LYS 7 75.637 -1.368 -13.906 50 HE3 LYS 7 HE3 LYS 7 76.463 -2.926 -13.912 51 HZ1 LYS 7 HZ1 LYS 7 74.172 -2.614 -15.101 52 HZ2 LYS 7 HZ2 LYS 7 73.558 -2.887 -13.540 53 HZ3 LYS 7 HZ3 LYS 7 74.539 -4.056 -14.286 54 H LYS 8 H LYS 8 78.375 1.561 -12.911 55 HA LYS 8 HA LYS 8 80.032 -0.216 -14.312 56 HB2 LYS 8 HB2 LYS 8 78.969 1.648 -15.430 57 HB3 LYS 8 HB3 LYS 8 79.862 2.801 -14.441 58 HG2 LYS 8 HG2 LYS 8 81.569 0.843 -15.857 59 HG3 LYS 8 HG3 LYS 8 80.674 1.924 -16.922 60 HD2 LYS 8 HD2 LYS 8 82.165 3.033 -14.548 61 HD3 LYS 8 HD3 LYS 8 83.018 2.679 -16.049 62 HE2 LYS 8 HE2 LYS 8 81.820 4.280 -17.265 63 HE3 LYS 8 HE3 LYS 8 80.479 4.292 -16.120 64 HZ1 LYS 8 HZ1 LYS 8 83.011 5.713 -16.029 65 HZ2 LYS 8 HZ2 LYS 8 82.464 5.081 -14.549 66 HZ3 LYS 8 HZ3 LYS 8 81.490 6.162 -15.426 67 H ILE 9 H ILE 9 80.889 2.525 -12.214 68 HA ILE 9 HA ILE 9 83.696 2.244 -12.481 69 HB ILE 9 HB ILE 9 82.060 3.478 -10.256 70 HG12 ILE 9 HG12 ILE 9 83.502 4.858 -12.530 71 HG13 ILE 9 HG13 ILE 9 81.813 4.365 -12.654 72 HG21 ILE 9 HG21 ILE 9 84.279 3.070 -9.437 73 HG22 ILE 9 HG22 ILE 9 84.218 4.771 -9.899 74 HG23 ILE 9 HG23 ILE 9 85.003 3.598 -10.956 75 HD11 ILE 9 HD11 ILE 9 82.931 6.161 -10.481 76 HD12 ILE 9 HD12 ILE 9 81.238 5.719 -10.700 77 HD13 ILE 9 HD13 ILE 9 82.048 6.727 -11.898 78 H PHE 10 H PHE 10 81.335 0.572 -10.588 79 HA PHE 10 HA PHE 10 83.219 -0.416 -8.628 80 HB2 PHE 10 HB2 PHE 10 81.099 -0.289 -7.706 81 HB3 PHE 10 HB1 PHE 10 80.307 -0.805 -9.194 82 HD1 PHE 10 HD1 PHE 10 80.245 -3.177 -9.836 83 HD2 PHE 10 HD2 PHE 10 82.008 -1.905 -6.139 84 HE1 PHE 10 HE1 PHE 10 80.238 -5.521 -9.034 85 HE2 PHE 10 HE2 PHE 10 82.005 -4.252 -5.332 86 HZ PHE 10 HZ PHE 10 81.120 -6.061 -6.784 87 H VAL 11 H VAL 11 81.352 -1.926 -11.279 88 HA VAL 11 HA VAL 11 82.349 -4.508 -11.051 89 HB VAL 11 HB VAL 11 81.775 -4.764 -13.453 90 HG11 VAL 11 HG11 VAL 11 79.440 -4.454 -13.148 91 HG12 VAL 11 HG12 VAL 11 79.687 -3.100 -12.048 92 HG13 VAL 11 HG13 VAL 11 80.079 -4.738 -11.530 93 HG21 VAL 11 HG21 VAL 11 82.543 -2.530 -14.188 94 HG22 VAL 11 HG22 VAL 11 81.242 -1.788 -13.260 95 HG23 VAL 11 HG23 VAL 11 80.862 -2.807 -14.646 96 H GLN 12 H GLN 12 83.796 -1.679 -12.510 97 HA GLN 12 HA GLN 12 85.963 -3.301 -13.641 98 HB2 GLN 12 HB2 GLN 12 86.655 -1.302 -14.769 99 HB3 GLN 12 HB1 GLN 12 84.908 -1.464 -14.948 100 HG2 GLN 12 HG2 GLN 12 84.650 0.065 -12.952 101 HG3 GLN 12 HG1 GLN 12 86.390 0.348 -13.026 102 HE21 GLN 12 HE21 GLN 12 85.631 -0.141 -16.172 103 HE22 GLN 12 HE22 GLN 12 85.281 1.446 -16.648 104 H LYS 13 H LYS 13 85.387 -1.149 -10.930 105 HA LYS 13 HA LYS 13 88.282 -1.019 -10.419 106 HB2 LYS 13 HB2 LYS 13 86.695 1.021 -10.402 107 HB3 LYS 13 HB3 LYS 13 86.219 0.443 -8.806 108 HG2 LYS 13 HG2 LYS 13 88.462 0.623 -7.978 109 HG3 LYS 13 HG3 LYS 13 89.113 0.876 -9.595 110 HD2 LYS 13 HD2 LYS 13 87.038 2.793 -8.596 111 HD3 LYS 13 HD3 LYS 13 88.676 2.933 -7.960 112 HE2 LYS 13 HE2 LYS 13 87.982 2.880 -10.912 113 HE3 LYS 13 HE3 LYS 13 88.302 4.346 -9.986 114 HZ1 LYS 13 HZ1 LYS 13 90.141 2.298 -10.914 115 HZ2 LYS 13 HZ2 LYS 13 90.435 2.903 -9.353 116 HZ3 LYS 13 HZ3 LYS 13 90.392 3.960 -10.683 117 H CYS 14 H CYS 14 85.417 -1.410 -8.276 118 HA CYS 14 HA CYS 14 87.090 -2.670 -6.292 119 HB2 CYS 14 HB2 CYS 14 84.118 -2.581 -6.082 120 HB3 CYS 14 HB1 CYS 14 85.325 -2.416 -4.815 121 H ALA 15 H ALA 15 84.618 -3.869 -8.526 122 HA ALA 15 HA ALA 15 84.076 -6.328 -7.423 123 HB1 ALA 15 HB1 ALA 15 82.890 -5.933 -9.370 124 HB2 ALA 15 HB2 ALA 15 84.082 -7.099 -9.943 125 HB3 ALA 15 HB3 ALA 15 84.316 -5.379 -10.247 126 H GLN 16 H GLN 16 87.048 -5.240 -8.867 127 HA GLN 16 HA GLN 16 88.333 -7.541 -9.609 128 HB2 GLN 16 HB2 GLN 16 89.338 -5.060 -8.243 129 HB3 GLN 16 HB1 GLN 16 90.438 -6.375 -8.652 130 HG2 GLN 16 HG2 GLN 16 89.685 -6.251 -11.010 131 HG3 GLN 16 HG1 GLN 16 88.628 -4.904 -10.591 132 HE21 GLN 16 HE21 GLN 16 91.660 -5.585 -11.847 133 HE22 GLN 16 HE22 GLN 16 92.436 -4.123 -11.473 134 H CYS 17 H CYS 17 88.535 -6.177 -6.287 135 HA CYS 17 HA CYS 17 88.954 -8.947 -5.317 136 HB2 CYS 17 HB2 CYS 17 90.122 -6.776 -3.688 137 HB3 CYS 17 HB1 CYS 17 90.790 -8.345 -4.121 138 H HIS 18 H HSD 18 86.378 -8.105 -5.376 139 HA HIS 18 HA HSD 18 85.730 -8.046 -2.554 140 HB2 HIS 18 HB2 HSD 18 85.158 -5.683 -4.330 141 HB3 HIS 18 HB1 HSD 18 84.149 -6.041 -2.931 142 HD1 HIS 18 HD1 HSD 18 86.552 -7.087 -1.101 143 HD2 HIS 18 HD2 HSD 18 86.461 -3.475 -3.176 144 HE1 HIS 18 HE1 HSD 18 88.180 -5.539 0.076 145 H THR 19 H THR 19 83.153 -7.667 -2.445 146 HA THR 19 HA THR 19 81.863 -9.175 -4.619 147 HB THR 19 HB THR 19 81.178 -9.842 -1.780 148 HG1 THR 19 HG1 THR 19 82.838 -11.631 -2.378 149 HG21 THR 19 HG21 THR 19 80.069 -10.639 -4.038 150 HG22 THR 19 HG22 THR 19 80.315 -11.781 -2.716 151 HG23 THR 19 HG23 THR 19 81.439 -11.747 -4.073 152 H VAL 20 H VAL 20 81.527 -7.232 -1.698 153 HA VAL 20 HA VAL 20 79.851 -5.880 -0.913 154 HB VAL 20 HB VAL 20 79.228 -4.127 -2.441 155 HG11 VAL 20 HG11 VAL 20 81.589 -4.248 -1.643 156 HG12 VAL 20 HG12 VAL 20 81.445 -3.464 -3.215 157 HG13 VAL 20 HG13 VAL 20 82.010 -5.129 -3.108 158 HG21 VAL 20 HG21 VAL 20 78.685 -5.779 -4.332 159 HG22 VAL 20 HG22 VAL 20 80.409 -5.759 -4.686 160 HG23 VAL 20 HG23 VAL 20 79.471 -4.274 -4.800 161 H GLU 21 H GLU 21 78.878 -8.546 -1.570 162 HA GLU 21 HA GLU 21 76.058 -7.812 -2.050 163 HB2 GLU 21 HB2 GLU 21 75.675 -9.613 -3.513 164 HB3 GLU 21 HB3 GLU 21 77.204 -8.932 -4.066 165 HG2 GLU 21 HG2 GLU 21 78.325 -10.648 -2.507 166 HG3 GLU 21 HG3 GLU 21 76.748 -11.436 -2.448 167 H LYS 22 H LYS 22 74.924 -8.270 -0.309 168 HA LYS 22 HA LYS 22 75.792 -9.670 1.922 169 HB2 LYS 22 HB2 LYS 22 73.045 -9.019 0.873 170 HB3 LYS 22 HB3 LYS 22 73.250 -9.933 2.367 171 HG2 LYS 22 HG2 LYS 22 74.917 -7.484 2.138 172 HG3 LYS 22 HG3 LYS 22 73.182 -7.205 2.266 173 HD2 LYS 22 HD2 LYS 22 74.527 -9.134 4.148 174 HD3 LYS 22 HD3 LYS 22 74.608 -7.400 4.458 175 HE2 LYS 22 HE2 LYS 22 72.280 -7.206 4.715 176 HE3 LYS 22 HE3 LYS 22 71.963 -8.720 3.867 177 HZ1 LYS 22 HZ1 LYS 22 71.854 -9.626 5.880 178 HZ2 LYS 22 HZ2 LYS 22 72.538 -8.267 6.635 179 HZ3 LYS 22 HZ3 LYS 22 73.539 -9.458 5.956 180 H GLY 23 H GLY 23 75.882 -11.762 2.510 181 HA2 GLY 23 HA2 GLY 23 75.634 -14.055 2.454 182 HA3 GLY 23 HA3 GLY 23 74.265 -13.821 1.373 183 H GLY 24 H GLY 24 77.392 -12.485 0.599 184 HA2 GLY 24 HA2 GLY 24 77.534 -14.244 -1.749 185 HA3 GLY 24 HA3 GLY 24 78.428 -12.744 -1.515 186 H LYS 25 H LYS 25 80.465 -13.525 -1.868 187 HA LYS 25 HA LYS 25 81.608 -15.134 0.286 188 HB2 LYS 25 HB2 LYS 25 82.839 -16.525 -1.480 189 HB3 LYS 25 HB3 LYS 25 81.142 -16.912 -1.202 190 HG2 LYS 25 HG2 LYS 25 81.690 -14.849 -3.282 191 HG3 LYS 25 HG3 LYS 25 82.168 -16.497 -3.677 192 HD2 LYS 25 HD2 LYS 25 79.875 -17.277 -3.112 193 HD3 LYS 25 HD3 LYS 25 79.405 -15.607 -2.798 194 HE2 LYS 25 HE2 LYS 25 80.393 -15.222 -5.236 195 HE3 LYS 25 HE3 LYS 25 80.030 -16.940 -5.406 196 HZ1 LYS 25 HZ1 LYS 25 77.790 -16.589 -5.078 197 HZ2 LYS 25 HZ2 LYS 25 78.226 -15.211 -5.971 198 HZ3 LYS 25 HZ3 LYS 25 78.015 -15.105 -4.289 199 H HIS 26 H HIS 26 83.238 -13.923 0.988 200 HA HIS 26 HA HIS 26 84.427 -11.804 -0.404 201 HB2 HIS 26 HB2 HIS 26 86.353 -12.324 1.361 202 HB3 HIS 26 HB1 HIS 26 84.809 -11.640 1.865 203 HD1 HIS 26 HD1 HIS 26 86.626 -14.962 1.670 204 HD2 HIS 26 HD2 HIS 26 83.284 -13.297 3.525 205 HE1 HIS 26 HE1 HIS 26 85.785 -16.693 3.318 206 HE2 HIS 26 HE2 HIS 26 83.747 -15.692 4.456 207 H LYS 27 H LYS 27 85.925 -11.708 -1.944 208 HA LYS 27 HA LYS 27 87.658 -14.064 -2.410 209 HB2 LYS 27 HB2 LYS 27 86.168 -12.384 -4.434 210 HB3 LYS 27 HB3 LYS 27 87.505 -13.449 -4.866 211 HG2 LYS 27 HG2 LYS 27 86.219 -15.318 -3.689 212 HG3 LYS 27 HG3 LYS 27 84.841 -14.217 -3.659 213 HD2 LYS 27 HD2 LYS 27 86.323 -15.165 -6.128 214 HD3 LYS 27 HD3 LYS 27 84.698 -15.645 -5.637 215 HE2 LYS 27 HE2 LYS 27 84.164 -13.103 -5.687 216 HE3 LYS 27 HE3 LYS 27 85.644 -12.962 -6.637 217 HZ1 LYS 27 HZ1 LYS 27 83.804 -15.061 -7.442 218 HZ2 LYS 27 HZ2 LYS 27 84.727 -13.998 -8.393 219 HZ3 LYS 27 HZ3 LYS 27 83.266 -13.474 -7.701 220 H THR 28 H THR 28 89.650 -13.431 -1.868 221 HA THR 28 HA THR 28 91.576 -12.188 -1.732 222 HB THR 28 HB THR 28 90.637 -10.639 -4.134 223 HG1 THR 28 HG1 THR 28 90.168 -12.874 -4.429 224 HG21 THR 28 HG21 THR 28 92.923 -10.455 -4.626 225 HG22 THR 28 HG22 THR 28 93.341 -11.865 -3.652 226 HG23 THR 28 HG23 THR 28 92.906 -10.348 -2.865 227 H GLY 29 H GLY 29 89.071 -11.245 -0.454 228 HA2 GLY 29 HA2 GLY 29 89.936 -8.935 0.774 229 HA3 GLY 29 HA3 GLY 29 88.980 -8.389 -0.600 230 HA PRO 30 HA PRO 30 86.347 -9.904 3.144 231 HB2 PRO 30 HB2 PRO 30 85.858 -7.485 4.371 232 HB3 PRO 30 HB1 PRO 30 87.160 -8.592 4.850 233 HG2 PRO 30 HG2 PRO 30 87.287 -6.136 3.168 234 HG3 PRO 30 HG1 PRO 30 88.421 -6.726 4.395 235 HD2 PRO 30 HD2 PRO 30 88.881 -7.020 1.724 236 HD3 PRO 30 HD1 PRO 30 89.462 -8.192 2.927 237 H ASN 31 H ASN 31 84.056 -9.138 3.601 238 HA ASN 31 HA ASN 31 82.864 -8.150 1.096 239 HB2 ASN 31 HB2 ASN 31 80.776 -9.095 1.983 240 HB3 ASN 31 HB1 ASN 31 82.056 -10.304 1.954 241 HD21 ASN 31 HD21 ASN 31 80.343 -8.050 4.155 242 HD22 ASN 31 HD22 ASN 31 80.678 -8.933 5.565 243 H LEU 32 H LEU 32 82.061 -6.159 0.975 244 HA LEU 32 HA LEU 32 82.056 -4.428 3.283 245 HB2 LEU 32 HB2 LEU 32 80.964 -3.754 0.553 246 HB3 LEU 32 HB3 LEU 32 81.606 -2.657 1.771 247 HG LEU 32 HG LEU 32 83.123 -4.620 0.042 248 HD11 LEU 32 HD11 LEU 32 83.154 -1.630 0.494 249 HD12 LEU 32 HD12 LEU 32 82.913 -2.503 -1.017 250 HD13 LEU 32 HD13 LEU 32 84.507 -2.465 -0.268 251 HD21 LEU 32 HD21 LEU 32 83.959 -3.266 2.609 252 HD22 LEU 32 HD22 LEU 32 85.134 -3.798 1.408 253 HD23 LEU 32 HD23 LEU 32 84.081 -4.973 2.193 254 H HIS 33 H HIS 33 80.197 -6.641 3.427 255 HA HIS 33 HA HIS 33 77.542 -5.905 2.838 256 HB2 HIS 33 HB2 HIS 33 78.614 -7.643 5.076 257 HB3 HIS 33 HB1 HIS 33 76.923 -7.554 4.589 258 HD1 HIS 33 HD1 HIS 33 78.355 -10.239 4.339 259 HD2 HIS 33 HD2 HIS 33 78.227 -7.443 1.250 260 HE1 HIS 33 HE1 HIS 33 78.755 -11.523 2.194 261 HE2 HIS 33 HE2 HIS 33 78.681 -9.832 0.301 262 H GLY 34 H GLY 34 75.992 -4.769 3.975 263 HA2 GLY 34 HA2 GLY 34 75.390 -2.871 5.214 264 HA3 GLY 34 HA3 GLY 34 75.722 -4.002 6.525 265 H LEU 35 H LEU 35 78.148 -2.795 4.326 266 HA LEU 35 HA LEU 35 80.080 -2.165 6.165 267 HB2 LEU 35 HB2 LEU 35 80.525 -2.256 3.787 268 HB3 LEU 35 HB3 LEU 35 79.486 -0.865 3.500 269 HG LEU 35 HG LEU 35 81.175 0.254 5.277 270 HD11 LEU 35 HD11 LEU 35 82.390 -2.037 5.349 271 HD12 LEU 35 HD12 LEU 35 83.376 -0.586 5.164 272 HD13 LEU 35 HD13 LEU 35 83.013 -1.589 3.762 273 HD21 LEU 35 HD21 LEU 35 80.663 0.968 2.919 274 HD22 LEU 35 HD22 LEU 35 81.917 -0.143 2.369 275 HD23 LEU 35 HD23 LEU 35 82.341 1.227 3.395 276 H PHE 36 H PHE 36 77.894 0.209 4.650 277 HA PHE 36 HA PHE 36 78.667 2.432 6.111 278 HB2 PHE 36 HB2 PHE 36 75.848 1.857 5.179 279 HB3 PHE 36 HB1 PHE 36 76.576 3.439 5.456 280 HD1 PHE 36 HD2 PHE 36 76.713 0.397 3.317 281 HD2 PHE 36 HD1 PHE 36 77.968 4.481 3.798 282 HE1 PHE 36 HE2 PHE 36 77.582 0.407 0.997 283 HE2 PHE 36 HE1 PHE 36 78.829 4.487 1.482 284 HZ PHE 36 HZ PHE 36 78.638 2.452 0.076 285 H GLY 37 H GLY 37 79.024 1.948 8.306 286 HA2 GLY 37 HA2 GLY 37 77.492 2.681 10.265 287 HA3 GLY 37 HA3 GLY 37 76.652 1.187 9.887 288 H ARG 38 H ARG 38 79.288 -0.158 9.236 289 HA ARG 38 HA ARG 38 79.869 -0.924 11.997 290 HB2 ARG 38 HB2 ARG 38 80.189 -2.148 9.333 291 HB3 ARG 38 HB3 ARG 38 81.496 -2.493 10.464 292 HG2 ARG 38 HG2 ARG 38 79.665 -3.102 12.158 293 HG3 ARG 38 HG3 ARG 38 78.549 -3.081 10.793 294 HD2 ARG 38 HD2 ARG 38 81.074 -4.647 10.486 295 HD3 ARG 38 HD3 ARG 38 79.831 -5.313 11.535 296 HE ARG 38 HE ARG 38 78.300 -4.989 9.514 297 HH11 ARG 38 HH21 ARG 38 81.725 -5.561 9.254 298 HH12 ARG 38 HH22 ARG 38 81.606 -6.314 7.700 299 HH21 ARG 38 HH11 ARG 38 78.166 -5.990 7.496 300 HH22 ARG 38 HH12 ARG 38 79.600 -6.563 6.713 301 H LYS 39 H LYS 39 81.919 -0.974 12.928 302 HA LYS 39 HA LYS 39 83.584 1.265 12.356 303 HB2 LYS 39 HB2 LYS 39 83.499 -0.919 14.347 304 HB3 LYS 39 HB3 LYS 39 85.094 -0.236 14.044 305 HG2 LYS 39 HG2 LYS 39 82.710 1.549 14.544 306 HG3 LYS 39 HG3 LYS 39 83.624 0.862 15.885 307 HD2 LYS 39 HD2 LYS 39 85.715 1.813 14.624 308 HD3 LYS 39 HD3 LYS 39 84.537 2.824 13.790 309 HE2 LYS 39 HE2 LYS 39 84.869 2.637 16.799 310 HE3 LYS 39 HE3 LYS 39 85.443 3.964 15.788 311 HZ1 LYS 39 HZ1 LYS 39 83.449 4.875 15.949 312 HZ2 LYS 39 HZ2 LYS 39 82.876 3.560 16.861 313 HZ3 LYS 39 HZ3 LYS 39 82.764 3.536 15.166 314 H THR 40 H THR 40 85.986 1.064 12.065 315 HA THR 40 HA THR 40 86.564 -0.330 9.672 316 HB THR 40 HB THR 40 88.966 0.364 10.238 317 HG1 THR 40 HG1 THR 40 87.820 2.069 12.107 318 HG21 THR 40 HG21 THR 40 88.246 2.873 10.051 319 HG22 THR 40 HG22 THR 40 86.619 2.211 9.903 320 HG23 THR 40 HG23 THR 40 87.860 1.770 8.731 321 H GLY 41 H GLY 41 87.769 -2.130 9.244 322 HA2 GLY 41 HA2 GLY 41 88.401 -4.317 9.597 323 HA3 GLY 41 HA3 GLY 41 89.395 -3.616 10.872 324 H GLN 42 H GLN 42 85.878 -4.064 10.493 325 HA GLN 42 HA GLN 42 85.837 -5.303 13.178 326 HB2 GLN 42 HB2 GLN 42 84.453 -3.177 12.570 327 HB3 GLN 42 HB1 GLN 42 83.390 -4.313 11.740 328 HG2 GLN 42 HG2 GLN 42 83.450 -5.665 13.953 329 HG3 GLN 42 HG1 GLN 42 84.075 -4.183 14.675 330 HE21 GLN 42 HE21 GLN 42 81.239 -5.616 13.093 331 HE22 GLN 42 HE22 GLN 42 80.157 -4.389 13.547 332 H ALA 43 H ALA 43 85.349 -5.890 9.834 333 HA ALA 43 HA ALA 43 83.609 -8.171 10.173 334 HB1 ALA 43 HB1 ALA 43 84.551 -8.442 7.655 335 HB2 ALA 43 HB2 ALA 43 84.890 -6.731 7.916 336 HB3 ALA 43 HB3 ALA 43 83.243 -7.335 8.074 337 HA PRO 44 HA PRO 44 86.985 -10.961 10.995 338 HB2 PRO 44 HB2 PRO 44 85.689 -13.332 10.712 339 HB3 PRO 44 HB1 PRO 44 85.391 -12.247 12.081 340 HG2 PRO 44 HG2 PRO 44 83.789 -12.618 9.590 341 HG3 PRO 44 HG1 PRO 44 83.241 -12.445 11.266 342 HD2 PRO 44 HD2 PRO 44 83.229 -10.368 9.469 343 HD3 PRO 44 HD1 PRO 44 83.396 -10.140 11.225 344 H GLY 45 H GLY 45 85.497 -13.283 8.949 345 HA2 GLY 45 HA2 GLY 45 86.518 -14.440 7.188 346 HA3 GLY 45 HA3 GLY 45 86.086 -12.930 6.396 347 H PHE 46 H PHE 46 87.680 -11.351 6.041 348 HA PHE 46 HA PHE 46 90.309 -12.397 5.577 349 HB2 PHE 46 HB2 PHE 46 89.165 -10.717 4.115 350 HB3 PHE 46 HB1 PHE 46 89.377 -9.525 5.399 351 HD1 PHE 46 HD2 PHE 46 91.080 -11.591 2.869 352 HD2 PHE 46 HD1 PHE 46 91.595 -8.678 5.984 353 HE1 PHE 46 HE2 PHE 46 93.393 -11.162 2.085 354 HE2 PHE 46 HE1 PHE 46 93.908 -8.249 5.199 355 HZ PHE 46 HZ PHE 46 94.808 -9.491 3.250 356 H THR 47 H THR 47 92.290 -11.562 6.412 357 HA THR 47 HA THR 47 92.159 -10.972 9.256 358 HB THR 47 HB THR 47 94.529 -11.368 7.416 359 HG1 THR 47 HG1 THR 47 93.090 -13.176 7.794 360 HG21 THR 47 HG21 THR 47 94.265 -11.031 10.407 361 HG22 THR 47 HG22 THR 47 95.277 -10.109 9.295 362 HG23 THR 47 HG23 THR 47 95.675 -11.786 9.664 363 H TYR 48 H TYR 48 91.307 -8.871 9.271 364 HA TYR 48 HA TYR 48 92.234 -6.694 7.777 365 HB2 TYR 48 HB2 TYR 48 90.746 -7.014 10.346 366 HB3 TYR 48 HB3 TYR 48 91.370 -5.415 9.941 367 HD1 TYR 48 HD2 TYR 48 90.740 -4.347 7.771 368 HD2 TYR 48 HD1 TYR 48 88.881 -7.944 9.186 369 HE1 TYR 48 HE2 TYR 48 88.868 -3.994 6.194 370 HE2 TYR 48 HE1 TYR 48 87.001 -7.597 7.604 371 HH TYR 48 HH TYR 48 86.403 -4.701 6.088 372 H THR 49 H THR 49 93.563 -4.927 8.345 373 HA THR 49 HA THR 49 95.985 -5.722 9.728 374 HB THR 49 HB THR 49 96.820 -3.514 8.984 375 HG1 THR 49 HG1 THR 49 94.665 -2.552 9.164 376 HG21 THR 49 HG21 THR 49 96.141 -3.957 6.435 377 HG22 THR 49 HG22 THR 49 95.538 -5.466 7.117 378 HG23 THR 49 HG23 THR 49 97.239 -5.035 7.297 379 H ASP 50 H ASP 50 96.945 -4.476 11.448 380 HA ASP 50 HA ASP 50 95.324 -4.049 13.652 381 HB2 ASP 50 HB2 ASP 50 97.311 -2.532 14.406 382 HB3 ASP 50 HB1 ASP 50 97.588 -4.254 14.152 383 H ALA 51 H ALA 51 96.551 -1.645 11.340 384 HA ALA 51 HA ALA 51 95.527 0.659 12.523 385 HB1 ALA 51 HB1 ALA 51 95.523 1.591 10.192 386 HB2 ALA 51 HB2 ALA 51 95.914 -0.027 9.605 387 HB3 ALA 51 HB3 ALA 51 97.040 0.824 10.662 388 H ASN 52 H ASN 52 93.946 -1.683 10.396 389 HA ASN 52 HA ASN 52 91.493 -0.146 10.273 390 HB2 ASN 52 HB2 ASN 52 92.606 -2.528 8.994 391 HB3 ASN 52 HB1 ASN 52 90.910 -2.731 9.421 392 HD21 ASN 52 HD21 ASN 52 90.169 -2.577 7.203 393 HD22 ASN 52 HD22 ASN 52 90.227 -1.113 6.344 394 H LYS 53 H LYS 53 92.838 -2.681 12.237 395 HA LYS 53 HA LYS 53 90.291 -3.399 13.428 396 HB2 LYS 53 HB2 LYS 53 91.645 -5.270 13.389 397 HB3 LYS 53 HB3 LYS 53 93.119 -4.337 13.610 398 HG2 LYS 53 HG2 LYS 53 92.668 -4.024 15.951 399 HG3 LYS 53 HG3 LYS 53 91.047 -4.700 15.783 400 HD2 LYS 53 HD2 LYS 53 92.227 -6.841 14.952 401 HD3 LYS 53 HD3 LYS 53 93.700 -6.130 15.611 402 HE2 LYS 53 HE2 LYS 53 91.169 -6.854 17.100 403 HE3 LYS 53 HE3 LYS 53 92.792 -7.495 17.353 404 HZ1 LYS 53 HZ1 LYS 53 92.892 -5.939 18.939 405 HZ2 LYS 53 HZ2 LYS 53 91.612 -5.030 18.289 406 HZ3 LYS 53 HZ3 LYS 53 93.181 -4.860 17.662 407 H ASN 54 H ASN 54 92.623 -1.001 13.766 408 HA ASN 54 HA ASN 54 92.639 -0.600 16.570 409 HB2 ASN 54 HB2 ASN 54 93.815 1.320 16.104 410 HB3 ASN 54 HB1 ASN 54 94.088 0.432 14.611 411 HD21 ASN 54 HD21 ASN 54 91.457 0.847 13.452 412 HD22 ASN 54 HD22 ASN 54 91.317 2.496 13.080 413 H LYS 55 H LYS 55 90.312 -0.063 14.152 414 HA LYS 55 HA LYS 55 88.208 0.877 14.154 415 HB2 LYS 55 HB2 LYS 55 88.541 0.537 17.141 416 HB3 LYS 55 HB3 LYS 55 87.024 0.930 16.335 417 HG2 LYS 55 HG2 LYS 55 87.522 -1.202 14.900 418 HG3 LYS 55 HG3 LYS 55 88.619 -1.621 16.215 419 HD2 LYS 55 HD2 LYS 55 85.672 -0.982 16.536 420 HD3 LYS 55 HD3 LYS 55 86.373 -2.600 16.566 421 HE2 LYS 55 HE2 LYS 55 87.866 -1.754 18.468 422 HE3 LYS 55 HE3 LYS 55 86.801 -0.351 18.540 423 HZ1 LYS 55 HZ1 LYS 55 84.928 -2.007 18.716 424 HZ2 LYS 55 HZ2 LYS 55 85.945 -1.887 20.071 425 HZ3 LYS 55 HZ3 LYS 55 86.108 -3.192 18.996 426 H GLY 56 H GLY 56 89.711 2.790 13.484 427 HA2 GLY 56 HA2 GLY 56 89.868 4.955 15.404 428 HA3 GLY 56 HA3 GLY 56 90.370 5.012 13.718 429 H ILE 57 H ILE 57 88.007 4.238 12.455 430 HA ILE 57 HA ILE 57 85.953 6.133 13.363 431 HB ILE 57 HB ILE 57 85.798 7.217 11.210 432 HG12 ILE 57 HG12 ILE 57 87.756 6.656 9.557 433 HG13 ILE 57 HG13 ILE 57 87.844 5.135 10.440 434 HG21 ILE 57 HG21 ILE 57 88.708 7.096 12.049 435 HG22 ILE 57 HG22 ILE 57 87.474 8.044 12.878 436 HG23 ILE 57 HG23 ILE 57 87.905 8.424 11.211 437 HD11 ILE 57 HD11 ILE 57 86.180 5.622 8.299 438 HD12 ILE 57 HD12 ILE 57 85.098 5.882 9.663 439 HD13 ILE 57 HD13 ILE 57 85.942 4.346 9.485 440 H THR 58 H THR 58 83.982 5.954 11.833 441 HA THR 58 HA THR 58 83.526 3.080 11.321 442 HB THR 58 HB THR 58 81.601 5.297 12.037 443 HG1 THR 58 HG1 THR 58 81.752 2.970 13.489 444 HG21 THR 58 HG21 THR 58 79.952 3.358 12.127 445 HG22 THR 58 HG22 THR 58 81.147 2.421 11.234 446 HG23 THR 58 HG23 THR 58 80.442 3.866 10.511 447 H TRP 59 H TRP 59 82.707 2.375 9.401 448 HA TRP 59 HA TRP 59 83.114 3.951 7.087 449 HB2 TRP 59 HB2 TRP 59 81.299 1.544 7.199 450 HB3 TRP 59 HB1 TRP 59 82.267 2.129 5.845 451 HD1 TRP 59 HD1 TRP 59 85.029 2.520 7.249 452 HE1 TRP 59 HE1 TRP 59 86.389 0.469 8.029 453 HE3 TRP 59 HE3 TRP 59 81.308 -0.954 7.580 454 HZ2 TRP 59 HZ2 TRP 59 85.941 -2.271 8.733 455 HZ3 TRP 59 HZ3 TRP 59 81.800 -3.270 8.297 456 HH2 TRP 59 HH2 TRP 59 84.112 -3.930 8.875 457 H LYS 60 H LYS 60 81.749 5.144 5.861 458 HA LYS 60 HA LYS 60 78.887 5.142 6.305 459 HB2 LYS 60 HB2 LYS 60 80.598 7.527 7.054 460 HB3 LYS 60 HB3 LYS 60 78.856 7.616 6.799 461 HG2 LYS 60 HG2 LYS 60 78.665 5.728 8.531 462 HG3 LYS 60 HG3 LYS 60 80.347 6.073 8.927 463 HD2 LYS 60 HD2 LYS 60 78.249 8.247 8.885 464 HD3 LYS 60 HD3 LYS 60 78.560 7.280 10.326 465 HE2 LYS 60 HE2 LYS 60 80.977 7.927 10.174 466 HE3 LYS 60 HE3 LYS 60 80.560 9.007 8.844 467 HZ1 LYS 60 HZ1 LYS 60 79.594 9.145 11.644 468 HZ2 LYS 60 HZ2 LYS 60 78.937 10.070 10.379 469 HZ3 LYS 60 HZ3 LYS 60 80.562 10.276 10.830 470 H GLU 61 H GLU 61 78.366 7.634 5.078 471 HA GLU 61 HA GLU 61 78.902 6.942 2.337 472 HB2 GLU 61 HB2 GLU 61 76.760 7.974 3.125 473 HB3 GLU 61 HB3 GLU 61 77.646 9.468 3.431 474 HG2 GLU 61 HG2 GLU 61 78.263 9.644 1.090 475 HG3 GLU 61 HG3 GLU 61 77.549 8.071 0.743 476 H GLU 62 H GLU 62 79.609 9.863 4.279 477 HA GLU 62 HA GLU 62 81.416 10.937 2.355 478 HB2 GLU 62 HB2 GLU 62 81.029 11.561 5.291 479 HB3 GLU 62 HB3 GLU 62 82.036 12.506 4.194 480 HG2 GLU 62 HG2 GLU 62 80.020 12.826 2.727 481 HG3 GLU 62 HG3 GLU 62 79.050 12.037 3.970 482 H THR 63 H THR 63 81.870 9.099 5.362 483 HA THR 63 HA THR 63 84.648 9.250 5.551 484 HB THR 63 HB THR 63 84.530 7.150 6.807 485 HG1 THR 63 HG1 THR 63 82.737 5.914 6.753 486 HG21 THR 63 HG21 THR 63 82.608 7.815 8.357 487 HG22 THR 63 HG22 THR 63 82.304 9.137 7.232 488 HG23 THR 63 HG23 THR 63 83.850 9.032 8.073 489 H LEU 64 H LEU 64 82.587 7.219 3.555 490 HA LEU 64 HA LEU 64 84.681 5.546 2.578 491 HB2 LEU 64 HB2 LEU 64 81.825 5.891 2.108 492 HB3 LEU 64 HB3 LEU 64 82.704 5.563 0.623 493 HG LEU 64 HG LEU 64 83.017 3.907 3.139 494 HD11 LEU 64 HD11 LEU 64 80.904 3.213 2.629 495 HD12 LEU 64 HD12 LEU 64 81.713 2.295 1.360 496 HD13 LEU 64 HD13 LEU 64 80.977 3.850 0.987 497 HD21 LEU 64 HD21 LEU 64 84.888 3.382 1.887 498 HD22 LEU 64 HD22 LEU 64 84.134 3.845 0.362 499 HD23 LEU 64 HD23 LEU 64 83.741 2.296 1.105 500 H MET 65 H MET 65 83.286 8.623 1.576 501 HA MET 65 HA MET 65 84.390 8.759 -1.009 502 HB2 MET 65 HB2 MET 65 83.768 10.985 0.939 503 HB3 MET 65 HB1 MET 65 84.147 11.222 -0.767 504 HG2 MET 65 HG2 MET 65 82.211 9.978 -1.454 505 HG3 MET 65 HG1 MET 65 81.903 9.440 0.195 506 HE1 MET 65 HE1 MET 65 81.953 12.404 -2.305 507 HE2 MET 65 HE2 MET 65 80.360 13.039 -1.899 508 HE3 MET 65 HE3 MET 65 80.535 11.348 -2.359 509 H GLU 66 H GLU 66 85.641 10.222 2.003 510 HA GLU 66 HA GLU 66 88.085 11.089 0.909 511 HB2 GLU 66 HB2 GLU 66 87.252 10.387 3.726 512 HB3 GLU 66 HB3 GLU 66 88.865 10.987 3.341 513 HG2 GLU 66 HG2 GLU 66 86.394 12.455 2.424 514 HG3 GLU 66 HG3 GLU 66 87.078 12.727 4.025 515 H TYR 67 H TYR 67 87.006 8.011 2.126 516 HA TYR 67 HA TYR 67 89.635 6.821 2.230 517 HB2 TYR 67 HB2 TYR 67 87.971 5.936 3.711 518 HB3 TYR 67 HB3 TYR 67 86.836 5.701 2.388 519 HD1 TYR 67 HD2 TYR 67 87.124 3.882 0.770 520 HD2 TYR 67 HD1 TYR 67 89.842 4.408 4.054 521 HE1 TYR 67 HE2 TYR 67 88.021 1.600 0.395 522 HE2 TYR 67 HE1 TYR 67 90.737 2.126 3.681 523 HH TYR 67 HH TYR 67 90.343 0.427 0.937 524 H LEU 68 H LEU 68 87.092 7.214 -0.106 525 HA LEU 68 HA LEU 68 88.020 5.169 -1.904 526 HB2 LEU 68 HB2 LEU 68 85.847 7.178 -1.834 527 HB3 LEU 68 HB3 LEU 68 86.426 6.761 -3.441 528 HG LEU 68 HG LEU 68 85.610 4.713 -1.361 529 HD11 LEU 68 HD11 LEU 68 83.625 4.459 -3.017 530 HD12 LEU 68 HD12 LEU 68 84.057 6.083 -3.552 531 HD13 LEU 68 HD13 LEU 68 83.596 5.798 -1.875 532 HD21 LEU 68 HD21 LEU 68 85.342 3.486 -3.735 533 HD22 LEU 68 HD22 LEU 68 86.860 3.484 -2.843 534 HD23 LEU 68 HD23 LEU 68 86.619 4.618 -4.166 535 H GLU 69 H GLU 69 88.802 8.498 -1.330 536 HA GLU 69 HA GLU 69 90.146 8.735 -3.934 537 HB2 GLU 69 HB2 GLU 69 90.187 11.039 -3.602 538 HB3 GLU 69 HB3 GLU 69 88.691 10.580 -2.797 539 HG2 GLU 69 HG2 GLU 69 89.668 11.913 -1.164 540 HG3 GLU 69 HG3 GLU 69 90.246 10.322 -0.687 541 H ASN 70 H ASN 70 90.796 7.776 -0.779 542 HA ASN 70 HA ASN 70 93.591 7.450 -1.325 543 HB2 ASN 70 HB2 ASN 70 94.481 8.859 0.436 544 HB3 ASN 70 HB1 ASN 70 93.553 9.847 -0.685 545 HD21 ASN 70 HD21 ASN 70 93.516 8.434 2.582 546 HD22 ASN 70 HD22 ASN 70 92.245 9.399 3.161 547 HA PRO 71 HA PRO 71 91.252 4.496 1.551 548 HB2 PRO 71 HB2 PRO 71 93.030 2.710 -0.061 549 HB3 PRO 71 HB1 PRO 71 91.347 2.467 0.443 550 HG2 PRO 71 HG2 PRO 71 91.988 3.155 -2.060 551 HG3 PRO 71 HG1 PRO 71 90.507 3.727 -1.275 552 HD2 PRO 71 HD2 PRO 71 92.994 5.230 -1.912 553 HD3 PRO 71 HD1 PRO 71 91.331 5.825 -1.723 554 H LYS 72 H LYS 72 94.648 4.732 0.561 555 HA LYS 72 HA LYS 72 95.641 3.389 2.911 556 HB2 LYS 72 HB2 LYS 72 96.807 3.302 0.735 557 HB3 LYS 72 HB3 LYS 72 97.113 5.032 0.845 558 HG2 LYS 72 HG2 LYS 72 99.099 4.181 1.717 559 HG3 LYS 72 HG3 LYS 72 98.161 4.404 3.190 560 HD2 LYS 72 HD2 LYS 72 98.970 2.216 3.432 561 HD3 LYS 72 HD3 LYS 72 97.360 1.952 2.767 562 HE2 LYS 72 HE2 LYS 72 98.596 0.609 1.347 563 HE3 LYS 72 HE3 LYS 72 98.667 2.125 0.451 564 HZ1 LYS 72 HZ1 LYS 72 100.799 0.665 1.355 565 HZ2 LYS 72 HZ2 LYS 72 100.706 1.973 2.437 566 HZ3 LYS 72 HZ3 LYS 72 100.845 2.255 0.767 567 H LYS 73 H LYS 73 95.678 6.767 1.748 568 HA LYS 73 HA LYS 73 97.049 7.779 4.004 569 HB2 LYS 73 HB2 LYS 73 96.486 8.829 1.621 570 HB3 LYS 73 HB3 LYS 73 95.152 9.544 2.526 571 HG2 LYS 73 HG2 LYS 73 96.881 10.283 4.249 572 HG3 LYS 73 HG3 LYS 73 98.115 9.810 3.082 573 HD2 LYS 73 HD2 LYS 73 97.863 12.039 2.500 574 HD3 LYS 73 HD3 LYS 73 96.656 11.316 1.440 575 HE2 LYS 73 HE2 LYS 73 95.504 13.101 2.478 576 HE3 LYS 73 HE3 LYS 73 95.003 11.685 3.401 577 HZ1 LYS 73 HZ1 LYS 73 95.947 13.872 4.536 578 HZ2 LYS 73 HZ2 LYS 73 97.413 13.047 4.300 579 HZ3 LYS 73 HZ3 LYS 73 96.167 12.329 5.205 580 H TYR 74 H TYR 74 93.765 6.823 3.587 581 HA TYR 74 HA TYR 74 92.673 8.533 5.626 582 HB2 TYR 74 HB2 TYR 74 91.491 7.209 3.647 583 HB3 TYR 74 HB3 TYR 74 91.356 5.955 4.877 584 HD1 TYR 74 HD1 TYR 74 90.946 9.688 4.636 585 HD2 TYR 74 HD2 TYR 74 89.401 5.976 6.152 586 HE1 TYR 74 HE1 TYR 74 89.039 10.897 5.658 587 HE2 TYR 74 HE2 TYR 74 87.495 7.188 7.173 588 HH TYR 74 HH TYR 74 86.601 9.176 7.603 589 H ILE 75 H ILE 75 93.299 5.019 5.497 590 HA ILE 75 HA ILE 75 93.785 5.092 8.417 591 HB ILE 75 HB ILE 75 92.386 2.890 6.876 592 HG12 ILE 75 HG12 ILE 75 91.200 4.616 9.052 593 HG13 ILE 75 HG13 ILE 75 91.159 5.137 7.370 594 HG21 ILE 75 HG21 ILE 75 93.546 1.862 8.671 595 HG22 ILE 75 HG22 ILE 75 91.929 2.143 9.312 596 HG23 ILE 75 HG23 ILE 75 93.251 3.223 9.752 597 HD11 ILE 75 HD11 ILE 75 89.097 3.905 8.021 598 HD12 ILE 75 HD12 ILE 75 90.084 2.489 8.381 599 HD13 ILE 75 HD13 ILE 75 89.979 3.094 6.728 600 HA PRO 76 HA PRO 76 97.574 3.767 5.965 601 HB2 PRO 76 HB2 PRO 76 98.561 4.557 8.688 602 HB3 PRO 76 HB1 PRO 76 99.298 4.842 7.098 603 HG2 PRO 76 HG2 PRO 76 97.991 6.774 8.384 604 HG3 PRO 76 HG1 PRO 76 97.912 6.612 6.620 605 HD2 PRO 76 HD2 PRO 76 95.816 6.036 8.646 606 HD3 PRO 76 HD1 PRO 76 95.638 6.456 6.929 607 H GLY 77 H GLY 77 98.101 1.670 5.890 608 HA2 GLY 77 HA2 GLY 77 99.115 -0.229 7.098 609 HA3 GLY 77 HA3 GLY 77 97.927 0.051 8.370 610 H THR 78 H THR 78 95.821 0.654 6.366 611 HA THR 78 HA THR 78 94.593 -1.840 6.184 612 HB THR 78 HB THR 78 93.468 0.386 5.935 613 HG1 THR 78 HG1 THR 78 93.097 -1.858 4.392 614 HG21 THR 78 HG21 THR 78 94.367 0.229 3.060 615 HG22 THR 78 HG22 THR 78 95.258 1.162 4.263 616 HG23 THR 78 HG23 THR 78 93.584 1.575 3.889 617 H LYS 79 H LYS 79 94.508 -3.437 4.648 618 HA LYS 79 HA LYS 79 96.666 -3.423 2.678 619 HB2 LYS 79 HB2 LYS 79 96.074 -5.402 4.200 620 HB3 LYS 79 HB3 LYS 79 94.682 -5.646 3.149 621 HG2 LYS 79 HG2 LYS 79 95.994 -6.762 1.691 622 HG3 LYS 79 HG3 LYS 79 96.936 -5.296 1.437 623 HD2 LYS 79 HD2 LYS 79 97.428 -7.175 3.762 624 HD3 LYS 79 HD3 LYS 79 98.257 -7.329 2.214 625 HE2 LYS 79 HE2 LYS 79 98.240 -4.740 3.776 626 HE3 LYS 79 HE3 LYS 79 99.475 -5.975 4.013 627 HZ1 LYS 79 HZ1 LYS 79 99.626 -4.030 2.184 628 HZ2 LYS 79 HZ2 LYS 79 98.947 -5.280 1.255 629 HZ3 LYS 79 HZ3 LYS 79 100.428 -5.519 2.053 630 H MET 80 H MET 80 95.949 -1.961 1.119 631 HA MET 80 HA MET 80 94.359 -3.019 -0.964 632 HB2 MET 80 HB2 MET 80 92.428 -2.549 0.389 633 HB3 MET 80 HB1 MET 80 93.027 -0.936 0.779 634 HG2 MET 80 HG2 MET 80 92.708 -0.165 -1.454 635 HG3 MET 80 HG1 MET 80 92.493 -1.803 -2.068 636 HE1 MET 80 HE1 MET 80 90.374 -0.094 -3.167 637 HE2 MET 80 HE2 MET 80 90.855 1.127 -1.992 638 HE3 MET 80 HE3 MET 80 89.171 0.618 -2.083 639 H ILE 81 H ILE 81 95.949 -2.354 -2.337 640 HA ILE 81 HA ILE 81 96.241 0.564 -2.698 641 HB ILE 81 HB ILE 81 98.471 -1.480 -2.867 642 HG12 ILE 81 HG12 ILE 81 99.305 0.194 -0.972 643 HG13 ILE 81 HG13 ILE 81 97.579 0.479 -0.766 644 HG21 ILE 81 HG21 ILE 81 98.374 1.519 -3.299 645 HG22 ILE 81 HG22 ILE 81 98.792 0.287 -4.489 646 HG23 ILE 81 HG23 ILE 81 99.869 0.600 -3.129 647 HD11 ILE 81 HD11 ILE 81 99.186 -1.904 -0.092 648 HD12 ILE 81 HD12 ILE 81 97.655 -2.265 -0.885 649 HD13 ILE 81 HD13 ILE 81 97.674 -1.332 0.609 650 H PHE 82 H PHE 82 94.830 0.577 -4.444 651 HA PHE 82 HA PHE 82 95.807 -0.821 -6.868 652 HB2 PHE 82 HB2 PHE 82 93.742 -1.878 -6.047 653 HB3 PHE 82 HB1 PHE 82 92.926 -0.317 -6.084 654 HD1 PHE 82 HD1 PHE 82 94.926 -2.586 -8.303 655 HD2 PHE 82 HD2 PHE 82 91.758 0.302 -8.016 656 HE1 PHE 82 HE1 PHE 82 94.403 -2.920 -10.704 657 HE2 PHE 82 HE2 PHE 82 91.237 -0.033 -10.417 658 HZ PHE 82 HZ PHE 82 92.559 -1.643 -11.761 659 H ALA 83 H ALA 83 93.273 1.589 -6.186 660 HA ALA 83 HA ALA 83 94.678 3.800 -7.274 661 HB1 ALA 83 HB1 ALA 83 92.719 2.420 -9.123 662 HB2 ALA 83 HB2 ALA 83 94.447 2.639 -9.396 663 HB3 ALA 83 HB3 ALA 83 93.372 4.036 -9.381 664 H GLY 84 H GLY 84 93.786 5.448 -6.224 665 HA2 GLY 84 HA2 GLY 84 91.186 5.254 -5.015 666 HA3 GLY 84 HA3 GLY 84 92.254 6.654 -4.978 667 H ILE 85 H ILE 85 89.750 7.336 -5.243 668 HA ILE 85 HA ILE 85 88.983 7.479 -8.063 669 HB ILE 85 HB ILE 85 87.649 8.460 -5.533 670 HG12 ILE 85 HG12 ILE 85 87.850 5.910 -6.255 671 HG13 ILE 85 HG13 ILE 85 86.329 6.544 -5.636 672 HG21 ILE 85 HG21 ILE 85 86.875 8.673 -8.442 673 HG22 ILE 85 HG22 ILE 85 86.903 9.943 -7.218 674 HG23 ILE 85 HG23 ILE 85 85.662 8.691 -7.163 675 HD11 ILE 85 HD11 ILE 85 86.260 5.150 -7.820 676 HD12 ILE 85 HD12 ILE 85 86.921 6.592 -8.590 677 HD13 ILE 85 HD13 ILE 85 85.359 6.665 -7.776 678 H LYS 86 H LYS 86 88.385 9.599 -9.002 679 HA LYS 86 HA LYS 86 90.312 11.673 -8.157 680 HB2 LYS 86 HB2 LYS 86 89.055 11.070 -10.835 681 HB3 LYS 86 HB3 LYS 86 90.013 12.515 -10.511 682 HG2 LYS 86 HG2 LYS 86 91.968 11.226 -10.028 683 HG3 LYS 86 HG3 LYS 86 91.046 9.724 -9.967 684 HD2 LYS 86 HD2 LYS 86 90.478 10.043 -12.391 685 HD3 LYS 86 HD3 LYS 86 91.561 11.436 -12.416 686 HE2 LYS 86 HE2 LYS 86 93.452 10.025 -11.783 687 HE3 LYS 86 HE3 LYS 86 92.389 8.624 -11.638 688 HZ1 LYS 86 HZ1 LYS 86 93.633 9.651 -13.943 689 HZ2 LYS 86 HZ2 LYS 86 91.949 9.738 -14.146 690 HZ3 LYS 86 HZ3 LYS 86 92.688 8.252 -13.783 691 H LYS 87 H LYS 87 87.215 11.697 -9.964 692 HA LYS 87 HA LYS 87 86.573 14.300 -8.890 693 HB2 LYS 87 HB2 LYS 87 84.791 12.470 -10.502 694 HB3 LYS 87 HB3 LYS 87 84.636 14.214 -10.304 695 HG2 LYS 87 HG2 LYS 87 87.013 12.843 -11.595 696 HG3 LYS 87 HG3 LYS 87 85.678 13.574 -12.485 697 HD2 LYS 87 HD2 LYS 87 86.215 15.715 -11.114 698 HD3 LYS 87 HD3 LYS 87 87.755 14.928 -10.768 699 HE2 LYS 87 HE2 LYS 87 86.653 15.407 -13.552 700 HE3 LYS 87 HE3 LYS 87 87.878 16.406 -12.769 701 HZ1 LYS 87 HZ1 LYS 87 89.286 14.443 -12.573 702 HZ2 LYS 87 HZ2 LYS 87 88.900 14.765 -14.196 703 HZ3 LYS 87 HZ3 LYS 87 88.115 13.507 -13.367 704 H LYS 88 H LYS 88 84.476 14.765 -7.883 705 HA LYS 88 HA LYS 88 84.084 13.150 -5.559 706 HB2 LYS 88 HB2 LYS 88 83.764 15.568 -5.469 707 HB3 LYS 88 HB3 LYS 88 82.468 15.463 -6.660 708 HG2 LYS 88 HG2 LYS 88 81.144 14.070 -5.111 709 HG3 LYS 88 HG3 LYS 88 82.441 14.156 -3.920 710 HD2 LYS 88 HD2 LYS 88 81.977 16.344 -3.366 711 HD3 LYS 88 HD3 LYS 88 81.431 16.752 -4.992 712 HE2 LYS 88 HE2 LYS 88 79.297 15.793 -4.644 713 HE3 LYS 88 HE3 LYS 88 79.838 14.892 -3.229 714 HZ1 LYS 88 HZ1 LYS 88 78.573 16.779 -2.521 715 HZ2 LYS 88 HZ2 LYS 88 79.529 17.836 -3.447 716 HZ3 LYS 88 HZ3 LYS 88 80.196 17.038 -2.104 717 H THR 89 H THR 89 81.949 13.944 -8.317 718 HA THR 89 HA THR 89 79.800 12.335 -7.662 719 HB THR 89 HB THR 89 79.366 12.194 -10.118 720 HG1 THR 89 HG1 THR 89 81.630 12.135 -10.669 721 HG21 THR 89 HG21 THR 89 80.127 14.841 -8.870 722 HG22 THR 89 HG22 THR 89 78.524 14.113 -8.966 723 HG23 THR 89 HG23 THR 89 79.305 14.723 -10.425 724 H GLU 90 H GLU 90 82.946 11.413 -8.825 725 HA GLU 90 HA GLU 90 82.257 8.795 -9.721 726 HB2 GLU 90 HB2 GLU 90 84.841 10.065 -8.817 727 HB3 GLU 90 HB3 GLU 90 84.749 8.364 -9.267 728 HG2 GLU 90 HG2 GLU 90 84.149 8.867 -11.494 729 HG3 GLU 90 HG3 GLU 90 83.701 10.523 -11.092 730 H ARG 91 H ARG 91 83.285 10.182 -6.646 731 HA ARG 91 HA ARG 91 83.350 7.664 -5.251 732 HB2 ARG 91 HB2 ARG 91 83.273 10.516 -4.218 733 HB3 ARG 91 HB3 ARG 91 83.584 9.086 -3.236 734 HG2 ARG 91 HG2 ARG 91 85.494 8.568 -4.851 735 HG3 ARG 91 HG3 ARG 91 85.279 10.204 -5.470 736 HD2 ARG 91 HD2 ARG 91 85.365 10.303 -2.590 737 HD3 ARG 91 HD3 ARG 91 86.755 9.400 -3.177 738 HE ARG 91 HE ARG 91 87.559 11.351 -4.177 739 HH11 ARG 91 HH21 ARG 91 84.300 11.741 -3.058 740 HH12 ARG 91 HH22 ARG 91 84.294 13.460 -3.269 741 HH21 ARG 91 HH11 ARG 91 87.546 13.599 -4.458 742 HH22 ARG 91 HH12 ARG 91 86.127 14.510 -4.062 743 H GLU 92 H GLU 92 81.124 10.455 -5.324 744 HA GLU 92 HA GLU 92 79.221 9.450 -3.525 745 HB2 GLU 92 HB2 GLU 92 79.358 11.800 -4.504 746 HB3 GLU 92 HB3 GLU 92 78.566 11.146 -5.938 747 HG2 GLU 92 HG2 GLU 92 76.740 10.278 -4.422 748 HG3 GLU 92 HG3 GLU 92 77.487 11.187 -3.109 749 H ASP 93 H ASP 93 79.240 9.304 -7.099 750 HA ASP 93 HA ASP 93 76.942 7.706 -7.376 751 HB2 ASP 93 HB2 ASP 93 79.395 7.847 -9.150 752 HB3 ASP 93 HB1 ASP 93 77.843 7.147 -9.609 753 H LEU 94 H LEU 94 80.382 6.800 -7.243 754 HA LEU 94 HA LEU 94 80.082 4.028 -7.461 755 HB2 LEU 94 HB2 LEU 94 82.274 5.081 -7.598 756 HB3 LEU 94 HB3 LEU 94 82.135 5.633 -5.931 757 HG LEU 94 HG LEU 94 82.130 3.347 -5.114 758 HD11 LEU 94 HD11 LEU 94 82.673 1.564 -6.954 759 HD12 LEU 94 HD12 LEU 94 81.943 2.736 -8.051 760 HD13 LEU 94 HD13 LEU 94 81.003 2.073 -6.715 761 HD21 LEU 94 HD21 LEU 94 84.318 3.700 -7.184 762 HD22 LEU 94 HD22 LEU 94 84.398 2.716 -5.725 763 HD23 LEU 94 HD23 LEU 94 84.313 4.471 -5.598 764 H ILE 95 H ILE 95 79.896 6.165 -4.673 765 HA ILE 95 HA ILE 95 79.686 4.041 -2.780 766 HB ILE 95 HB ILE 95 79.358 7.017 -2.661 767 HG12 ILE 95 HG12 ILE 95 81.047 5.418 -0.795 768 HG13 ILE 95 HG13 ILE 95 81.524 5.388 -2.485 769 HG21 ILE 95 HG21 ILE 95 79.099 6.476 -0.080 770 HG22 ILE 95 HG22 ILE 95 78.397 4.974 -0.680 771 HG23 ILE 95 HG23 ILE 95 77.678 6.521 -1.122 772 HD11 ILE 95 HD11 ILE 95 82.296 7.320 -0.724 773 HD12 ILE 95 HD12 ILE 95 80.874 8.077 -1.435 774 HD13 ILE 95 HD13 ILE 95 82.204 7.553 -2.465 775 H ALA 96 H ALA 96 77.443 5.886 -4.707 776 HA ALA 96 HA ALA 96 75.073 5.303 -3.281 777 HB1 ALA 96 HB1 ALA 96 73.909 5.865 -5.332 778 HB2 ALA 96 HB2 ALA 96 75.384 5.641 -6.274 779 HB3 ALA 96 HB3 ALA 96 75.262 6.979 -5.131 780 H TYR 97 H TYR 97 76.956 3.550 -5.677 781 HA TYR 97 HA TYR 97 75.056 1.415 -5.985 782 HB2 TYR 97 HB2 TYR 97 76.573 1.818 -7.807 783 HB3 TYR 97 HB3 TYR 97 77.973 1.682 -6.743 784 HD1 TYR 97 HD1 TYR 97 75.091 -0.229 -8.145 785 HD2 TYR 97 HD2 TYR 97 78.943 -0.432 -6.261 786 HE1 TYR 97 HE1 TYR 97 75.150 -2.676 -8.532 787 HE2 TYR 97 HE2 TYR 97 79.003 -2.880 -6.646 788 HH TYR 97 HH TYR 97 77.775 -4.476 -8.504 789 H LEU 98 H LEU 98 78.197 1.760 -4.310 790 HA LEU 98 HA LEU 98 78.396 -0.757 -3.189 791 HB2 LEU 98 HB2 LEU 98 79.277 1.961 -2.266 792 HB3 LEU 98 HB3 LEU 98 79.526 0.564 -1.227 793 HG LEU 98 HG LEU 98 80.379 0.415 -4.110 794 HD11 LEU 98 HD11 LEU 98 82.285 1.362 -1.991 795 HD12 LEU 98 HD12 LEU 98 81.313 2.532 -2.880 796 HD13 LEU 98 HD13 LEU 98 82.426 1.478 -3.743 797 HD21 LEU 98 HD21 LEU 98 81.595 -0.715 -1.579 798 HD22 LEU 98 HD22 LEU 98 81.940 -1.202 -3.238 799 HD23 LEU 98 HD23 LEU 98 80.369 -1.562 -2.520 800 H LYS 99 H LYS 99 76.177 1.795 -2.432 801 HA LYS 99 HA LYS 99 75.467 0.779 0.180 802 HB2 LYS 99 HB2 LYS 99 74.441 2.965 -1.606 803 HB3 LYS 99 HB3 LYS 99 73.483 2.436 -0.223 804 HG2 LYS 99 HG2 LYS 99 75.569 2.774 1.200 805 HG3 LYS 99 HG3 LYS 99 76.290 3.571 -0.197 806 HD2 LYS 99 HD2 LYS 99 73.635 4.404 1.001 807 HD3 LYS 99 HD3 LYS 99 75.174 5.128 1.466 808 HE2 LYS 99 HE2 LYS 99 75.542 5.587 -1.027 809 HE3 LYS 99 HE3 LYS 99 73.841 5.179 -1.247 810 HZ1 LYS 99 HZ1 LYS 99 73.801 7.451 -0.925 811 HZ2 LYS 99 HZ2 LYS 99 75.031 7.423 0.246 812 HZ3 LYS 99 HZ3 LYS 99 73.472 6.867 0.633 813 H LYS 100 H LYS 100 73.823 0.919 -2.991 814 HA LYS 100 HA LYS 100 71.630 -0.703 -2.105 815 HB2 LYS 100 HB2 LYS 100 71.663 0.986 -4.047 816 HB3 LYS 100 HB3 LYS 100 72.430 -0.297 -4.981 817 HG2 LYS 100 HG2 LYS 100 70.373 -1.704 -3.924 818 HG3 LYS 100 HG3 LYS 100 69.634 -0.105 -3.964 819 HD2 LYS 100 HD2 LYS 100 69.091 -0.901 -6.086 820 HD3 LYS 100 HD3 LYS 100 70.594 -0.042 -6.422 821 HE2 LYS 100 HE2 LYS 100 70.849 -2.156 -7.479 822 HE3 LYS 100 HE3 LYS 100 71.781 -2.281 -5.987 823 HZ1 LYS 100 HZ1 LYS 100 68.948 -3.069 -6.009 824 HZ2 LYS 100 HZ2 LYS 100 70.207 -3.608 -5.003 825 HZ3 LYS 100 HZ3 LYS 100 70.116 -4.138 -6.615 826 H ALA 101 H ALA 101 74.795 -1.368 -3.260 827 HA ALA 101 HA ALA 101 74.174 -4.065 -4.153 828 HB1 ALA 101 HB1 ALA 101 75.923 -2.722 -5.283 829 HB2 ALA 101 HB2 ALA 101 76.563 -4.228 -4.624 830 HB3 ALA 101 HB3 ALA 101 76.853 -2.704 -3.785 831 H THR 102 H THR 102 75.494 -2.438 -1.341 832 HA THR 102 HA THR 102 76.286 -4.952 -0.086 833 HB THR 102 HB THR 102 76.946 -3.484 1.810 834 HG1 THR 102 HG1 THR 102 75.532 -1.686 0.251 835 HG21 THR 102 HG21 THR 102 77.891 -2.934 -0.993 836 HG22 THR 102 HG22 THR 102 78.694 -3.836 0.290 837 HG23 THR 102 HG23 THR 102 78.606 -2.077 0.373 838 H ASN 103 H ASN 103 73.505 -3.140 -0.472 839 HA ASN 103 HA ASN 103 72.310 -3.800 2.105 840 HB2 ASN 103 HB2 ASN 103 71.495 -2.210 -0.303 841 HB3 ASN 103 HB1 ASN 103 70.266 -2.749 0.833 842 HD21 ASN 103 HD21 ASN 103 73.510 -2.040 1.983 843 HD22 ASN 103 HD22 ASN 103 73.103 -0.609 2.798 844 H GLU 104 H GLU 104 72.420 -4.984 -1.156 845 HA GLU 104 HA GLU 104 70.991 -7.382 -0.387 846 HB2 GLU 104 HB2 GLU 104 69.333 -7.172 -2.253 847 HB3 GLU 104 HB3 GLU 104 69.085 -6.006 -0.952 848 HG2 GLU 104 HG2 GLU 104 70.430 -4.346 -2.289 849 HG3 GLU 104 HG3 GLU 104 70.431 -5.503 -3.619 850 HHA HEC 201 HA HEC 105 89.268 -3.398 3.201 851 HHB HEC 201 HB HEC 105 85.563 0.144 -0.496 852 HHC HEC 201 HC HEC 105 88.850 -1.738 -5.565 853 HHD HEC 201 HD HEC 105 92.122 -5.752 -1.930 854 HMA1 HEC 201 HMA1 HEC 105 85.053 -0.339 3.187 855 HMA2 HEC 201 HMA2 HEC 105 84.620 -0.045 1.506 856 HMA3 HEC 201 HMA3 HEC 105 85.775 1.013 2.316 857 HAA1 HEC 201 HAA1 HEC 105 86.810 -0.818 4.445 858 HAA2 HEC 201 HAA2 HEC 105 88.350 -1.656 4.428 859 HBA1 HEC 201 HBA1 HEC 105 87.364 -3.757 4.598 860 HBA2 HEC 201 HBA2 HEC 105 85.821 -3.202 3.964 861 HMB1 HEC 201 HMB1 HEC 105 84.861 1.259 -4.044 862 HMB2 HEC 201 HMB2 HEC 105 85.171 1.639 -2.353 863 HMB3 HEC 201 HMB3 HEC 105 84.159 0.260 -2.778 864 HAB HEC 201 HAB HEC 105 87.396 -0.499 -6.245 865 HBB1 HEC 201 HBB1 HEC 105 86.726 2.067 -4.855 866 HBB2 HEC 201 HBB2 HEC 105 88.009 1.724 -6.009 867 HBB3 HEC 201 HBB3 HEC 105 86.350 1.916 -6.569 868 HMC1 HEC 201 HMC1 HEC 105 89.785 -3.283 -6.877 869 HMC2 HEC 201 HMC2 HEC 105 91.165 -4.373 -6.894 870 HMC3 HEC 201 HMC3 HEC 105 91.411 -2.646 -6.648 871 HAC HEC 201 HAC HEC 105 92.607 -6.179 -3.841 872 HBC1 HEC 201 HBC1 HEC 105 94.278 -4.879 -4.760 873 HBC2 HEC 201 HBC2 HEC 105 93.192 -4.100 -5.906 874 HBC3 HEC 201 HBC3 HEC 105 93.762 -5.738 -6.210 875 HMD1 HEC 201 HMD1 HEC 105 93.326 -6.278 -0.145 876 HMD2 HEC 201 HMD2 HEC 105 92.186 -7.456 0.502 877 HMD3 HEC 201 HMD3 HEC 105 93.170 -6.484 1.595 878 HAD1 HEC 201 HAD1 HEC 105 91.781 -6.222 3.239 879 HAD2 HEC 201 HAD2 HEC 105 90.265 -5.475 3.700 880 HBD1 HEC 201 HBD1 HEC 105 91.490 -3.274 3.838 881 HBD2 HEC 201 HBD2 HEC 105 92.988 -4.173 3.616 882 H1 HOH 301 H2 HOH 200 81.344 3.474 -1.142 883 H2 HOH 301 H1 HOH 200 82.805 3.443 -1.533 884 H1 HOH 302 H2 HOH 201 86.129 5.980 5.102 885 H2 HOH 302 H1 HOH 201 85.333 5.149 6.082 886 H1 HOH 303 H2 HOH 202 82.306 -5.673 5.665 887 H2 HOH 303 H1 HOH 202 83.584 -4.953 5.290 888 H1 HOH 304 H2 HOH 203 83.271 -9.556 -0.926 889 H2 HOH 304 H1 HOH 203 82.061 -9.605 -0.018 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 73.511 12.138 -7.103 2 H2 GLY 1 H2 GLY 1 74.469 11.853 -8.478 3 H3 GLY 1 H3 GLY 1 75.202 12.151 -6.974 4 HA2 GLY 1 HA2 GLY 1 75.395 9.900 -7.020 5 HA3 GLY 1 HA3 GLY 1 73.812 10.064 -6.257 6 H ASP 2 H ASP 2 75.214 8.144 -8.307 7 HA ASP 2 HA ASP 2 72.784 7.697 -9.875 8 HB2 ASP 2 HB2 ASP 2 75.501 8.134 -11.129 9 HB3 ASP 2 HB1 ASP 2 74.101 7.474 -11.974 10 H VAL 3 H VAL 3 72.627 5.855 -8.522 11 HA VAL 3 HA VAL 3 74.465 3.900 -7.995 12 HB VAL 3 HB VAL 3 72.241 3.767 -7.083 13 HG11 VAL 3 HG11 VAL 3 70.996 4.785 -8.907 14 HG12 VAL 3 HG12 VAL 3 70.310 3.198 -8.574 15 HG13 VAL 3 HG13 VAL 3 71.366 3.425 -9.965 16 HG21 VAL 3 HG21 VAL 3 72.401 1.437 -9.000 17 HG22 VAL 3 HG22 VAL 3 71.829 1.446 -7.331 18 HG23 VAL 3 HG23 VAL 3 73.549 1.619 -7.675 19 H GLU 4 H GLU 4 73.154 4.791 -11.055 20 HA GLU 4 HA GLU 4 73.643 2.310 -12.410 21 HB2 GLU 4 HB2 GLU 4 73.125 5.132 -13.340 22 HB3 GLU 4 HB3 GLU 4 73.476 3.827 -14.475 23 HG2 GLU 4 HG2 GLU 4 71.318 3.566 -12.378 24 HG3 GLU 4 HG3 GLU 4 70.995 4.286 -13.954 25 H LYS 5 H LYS 5 75.311 5.472 -12.592 26 HA LYS 5 HA LYS 5 77.562 4.374 -13.974 27 HB2 LYS 5 HB2 LYS 5 76.960 7.010 -12.656 28 HB3 LYS 5 HB3 LYS 5 78.604 6.641 -13.173 29 HG2 LYS 5 HG2 LYS 5 77.923 6.352 -15.451 30 HG3 LYS 5 HG3 LYS 5 76.215 6.369 -15.012 31 HD2 LYS 5 HD2 LYS 5 77.890 8.752 -14.297 32 HD3 LYS 5 HD3 LYS 5 77.394 8.550 -15.977 33 HE2 LYS 5 HE2 LYS 5 75.104 8.682 -15.449 34 HE3 LYS 5 HE3 LYS 5 75.379 8.313 -13.747 35 HZ1 LYS 5 HZ1 LYS 5 75.000 10.594 -13.796 36 HZ2 LYS 5 HZ2 LYS 5 75.934 10.826 -15.197 37 HZ3 LYS 5 HZ3 LYS 5 76.691 10.474 -13.717 38 H GLY 6 H GLY 6 76.592 4.527 -10.693 39 HA2 GLY 6 HA2 GLY 6 79.184 4.376 -9.490 40 HA3 GLY 6 HA3 GLY 6 77.652 3.956 -8.718 41 H LYS 7 H LYS 7 76.828 2.114 -10.747 42 HA LYS 7 HA LYS 7 78.053 -0.270 -9.785 43 HB2 LYS 7 HB2 LYS 7 75.708 -0.201 -10.510 44 HB3 LYS 7 HB3 LYS 7 76.219 0.181 -12.152 45 HG2 LYS 7 HG2 LYS 7 77.526 -2.216 -11.019 46 HG3 LYS 7 HG3 LYS 7 75.781 -2.371 -11.206 47 HD2 LYS 7 HD2 LYS 7 76.006 -1.607 -13.577 48 HD3 LYS 7 HD3 LYS 7 77.758 -1.599 -13.372 49 HE2 LYS 7 HE2 LYS 7 77.441 -3.724 -14.255 50 HE3 LYS 7 HE3 LYS 7 77.350 -4.075 -12.529 51 HZ1 LYS 7 HZ1 LYS 7 75.112 -4.372 -12.608 52 HZ2 LYS 7 HZ2 LYS 7 75.498 -4.871 -14.185 53 HZ3 LYS 7 HZ3 LYS 7 74.888 -3.309 -13.912 54 H LYS 8 H LYS 8 78.248 1.572 -12.817 55 HA LYS 8 HA LYS 8 79.878 -0.191 -14.267 56 HB2 LYS 8 HB2 LYS 8 78.799 1.681 -15.347 57 HB3 LYS 8 HB3 LYS 8 79.692 2.826 -14.347 58 HG2 LYS 8 HG2 LYS 8 81.401 0.907 -15.815 59 HG3 LYS 8 HG3 LYS 8 80.484 1.998 -16.853 60 HD2 LYS 8 HD2 LYS 8 81.987 3.088 -14.478 61 HD3 LYS 8 HD3 LYS 8 82.835 2.756 -15.987 62 HE2 LYS 8 HE2 LYS 8 80.399 4.542 -15.700 63 HE3 LYS 8 HE3 LYS 8 82.059 5.096 -15.915 64 HZ1 LYS 8 HZ1 LYS 8 80.204 4.117 -17.858 65 HZ2 LYS 8 HZ2 LYS 8 81.692 3.299 -17.927 66 HZ3 LYS 8 HZ3 LYS 8 81.642 4.990 -18.080 67 H ILE 9 H ILE 9 80.804 2.584 -12.232 68 HA ILE 9 HA ILE 9 83.594 2.257 -12.528 69 HB ILE 9 HB ILE 9 82.027 3.498 -10.254 70 HG12 ILE 9 HG12 ILE 9 83.343 4.827 -12.638 71 HG13 ILE 9 HG13 ILE 9 81.630 4.409 -12.587 72 HG21 ILE 9 HG21 ILE 9 84.920 3.835 -11.103 73 HG22 ILE 9 HG22 ILE 9 84.371 3.001 -9.648 74 HG23 ILE 9 HG23 ILE 9 84.118 4.736 -9.819 75 HD11 ILE 9 HD11 ILE 9 81.360 5.791 -10.552 76 HD12 ILE 9 HD12 ILE 9 81.960 6.748 -11.902 77 HD13 ILE 9 HD13 ILE 9 83.064 6.229 -10.632 78 H PHE 10 H PHE 10 81.239 0.669 -10.521 79 HA PHE 10 HA PHE 10 83.118 -0.354 -8.605 80 HB2 PHE 10 HB2 PHE 10 80.990 -0.264 -7.706 81 HB3 PHE 10 HB1 PHE 10 80.222 -0.782 -9.206 82 HD1 PHE 10 HD1 PHE 10 80.185 -3.151 -9.859 83 HD2 PHE 10 HD2 PHE 10 81.915 -1.880 -6.143 84 HE1 PHE 10 HE1 PHE 10 80.194 -5.499 -9.065 85 HE2 PHE 10 HE2 PHE 10 81.928 -4.229 -5.346 86 HZ PHE 10 HZ PHE 10 81.067 -6.040 -6.811 87 H VAL 11 H VAL 11 81.314 -1.887 -11.289 88 HA VAL 11 HA VAL 11 82.342 -4.449 -11.038 89 HB VAL 11 HB VAL 11 81.859 -4.706 -13.468 90 HG11 VAL 11 HG11 VAL 11 79.671 -3.123 -12.122 91 HG12 VAL 11 HG12 VAL 11 80.116 -4.739 -11.573 92 HG13 VAL 11 HG13 VAL 11 79.515 -4.499 -13.212 93 HG21 VAL 11 HG21 VAL 11 81.016 -2.819 -14.725 94 HG22 VAL 11 HG22 VAL 11 82.582 -2.361 -14.056 95 HG23 VAL 11 HG23 VAL 11 81.098 -1.784 -13.302 96 H GLN 12 H GLN 12 83.795 -1.602 -12.429 97 HA GLN 12 HA GLN 12 86.029 -3.187 -13.479 98 HB2 GLN 12 HB2 GLN 12 86.789 -1.057 -14.465 99 HB3 GLN 12 HB1 GLN 12 85.146 -1.481 -14.941 100 HG2 GLN 12 HG2 GLN 12 84.543 -0.017 -12.776 101 HG3 GLN 12 HG1 GLN 12 86.095 0.721 -13.157 102 HE21 GLN 12 HE21 GLN 12 83.527 -0.551 -15.335 103 HE22 GLN 12 HE22 GLN 12 83.332 0.903 -16.181 104 H LYS 13 H LYS 13 85.332 -1.092 -10.758 105 HA LYS 13 HA LYS 13 88.217 -0.871 -10.184 106 HB2 LYS 13 HB2 LYS 13 85.837 0.570 -9.018 107 HB3 LYS 13 HB3 LYS 13 87.484 0.760 -8.430 108 HG2 LYS 13 HG2 LYS 13 87.506 1.017 -11.301 109 HG3 LYS 13 HG3 LYS 13 86.268 2.083 -10.648 110 HD2 LYS 13 HD2 LYS 13 87.847 3.178 -9.205 111 HD3 LYS 13 HD3 LYS 13 89.091 1.980 -9.562 112 HE2 LYS 13 HE2 LYS 13 89.290 2.735 -11.831 113 HE3 LYS 13 HE3 LYS 13 87.851 3.744 -11.686 114 HZ1 LYS 13 HZ1 LYS 13 89.815 4.333 -9.691 115 HZ2 LYS 13 HZ2 LYS 13 89.019 5.378 -10.768 116 HZ3 LYS 13 HZ3 LYS 13 90.417 4.548 -11.262 117 H CYS 14 H CYS 14 85.308 -1.443 -8.153 118 HA CYS 14 HA CYS 14 86.989 -2.720 -6.169 119 HB2 CYS 14 HB2 CYS 14 84.021 -2.607 -5.948 120 HB3 CYS 14 HB1 CYS 14 85.240 -2.437 -4.690 121 H ALA 15 H ALA 15 84.488 -3.848 -8.422 122 HA ALA 15 HA ALA 15 83.940 -6.325 -7.358 123 HB1 ALA 15 HB1 ALA 15 82.766 -5.819 -9.312 124 HB2 ALA 15 HB2 ALA 15 83.870 -7.086 -9.844 125 HB3 ALA 15 HB3 ALA 15 84.231 -5.397 -10.197 126 H GLN 16 H GLN 16 86.908 -5.222 -8.789 127 HA GLN 16 HA GLN 16 88.187 -7.514 -9.568 128 HB2 GLN 16 HB2 GLN 16 89.028 -4.905 -8.505 129 HB3 GLN 16 HB1 GLN 16 90.211 -6.188 -8.266 130 HG2 GLN 16 HG2 GLN 16 90.096 -6.740 -10.671 131 HG3 GLN 16 HG1 GLN 16 88.917 -5.451 -10.909 132 HE21 GLN 16 HE21 GLN 16 92.047 -5.613 -9.107 133 HE22 GLN 16 HE22 GLN 16 92.705 -4.235 -9.852 134 H CYS 17 H CYS 17 88.640 -6.175 -6.263 135 HA CYS 17 HA CYS 17 88.992 -8.966 -5.326 136 HB2 CYS 17 HB2 CYS 17 90.156 -6.816 -3.670 137 HB3 CYS 17 HB1 CYS 17 90.834 -8.371 -4.142 138 H HIS 18 H HSD 18 86.400 -8.020 -5.371 139 HA HIS 18 HA HSD 18 85.787 -8.067 -2.528 140 HB2 HIS 18 HB2 HSD 18 85.155 -5.689 -4.262 141 HB3 HIS 18 HB1 HSD 18 84.175 -6.082 -2.852 142 HD1 HIS 18 HD1 HSD 18 86.651 -7.134 -1.107 143 HD2 HIS 18 HD2 HSD 18 86.416 -3.466 -3.068 144 HE1 HIS 18 HE1 HSD 18 88.271 -5.581 0.073 145 H THR 19 H THR 19 83.205 -7.738 -2.385 146 HA THR 19 HA THR 19 81.940 -9.259 -4.567 147 HB THR 19 HB THR 19 81.082 -9.999 -1.835 148 HG1 THR 19 HG1 THR 19 82.982 -11.464 -1.807 149 HG21 THR 19 HG21 THR 19 80.754 -12.090 -2.821 150 HG22 THR 19 HG22 THR 19 82.031 -11.839 -4.011 151 HG23 THR 19 HG23 THR 19 80.489 -11.001 -4.182 152 H VAL 20 H VAL 20 81.564 -7.286 -1.667 153 HA VAL 20 HA VAL 20 79.822 -6.001 -0.892 154 HB VAL 20 HB VAL 20 79.134 -4.281 -2.445 155 HG11 VAL 20 HG11 VAL 20 81.994 -5.155 -2.957 156 HG12 VAL 20 HG12 VAL 20 81.444 -4.205 -1.578 157 HG13 VAL 20 HG13 VAL 20 81.354 -3.530 -3.203 158 HG21 VAL 20 HG21 VAL 20 79.488 -4.419 -4.800 159 HG22 VAL 20 HG22 VAL 20 78.728 -5.942 -4.347 160 HG23 VAL 20 HG23 VAL 20 80.464 -5.875 -4.638 161 H GLU 21 H GLU 21 78.991 -8.708 -1.607 162 HA GLU 21 HA GLU 21 76.147 -8.112 -2.144 163 HB2 GLU 21 HB2 GLU 21 75.895 -9.947 -3.594 164 HB3 GLU 21 HB3 GLU 21 77.399 -9.190 -4.116 165 HG2 GLU 21 HG2 GLU 21 78.564 -10.838 -2.502 166 HG3 GLU 21 HG3 GLU 21 77.030 -11.708 -2.501 167 H LYS 22 H LYS 22 75.024 -8.568 -0.397 168 HA LYS 22 HA LYS 22 75.837 -9.829 1.890 169 HB2 LYS 22 HB2 LYS 22 73.766 -8.597 1.818 170 HB3 LYS 22 HB3 LYS 22 73.066 -9.752 0.682 171 HG2 LYS 22 HG2 LYS 22 72.808 -11.404 2.303 172 HG3 LYS 22 HG3 LYS 22 74.106 -10.763 3.312 173 HD2 LYS 22 HD2 LYS 22 72.757 -9.039 4.173 174 HD3 LYS 22 HD3 LYS 22 71.589 -9.169 2.859 175 HE2 LYS 22 HE2 LYS 22 72.050 -11.453 4.779 176 HE3 LYS 22 HE3 LYS 22 70.907 -10.159 5.144 177 HZ1 LYS 22 HZ1 LYS 22 70.402 -12.379 3.638 178 HZ2 LYS 22 HZ2 LYS 22 70.605 -11.151 2.482 179 HZ3 LYS 22 HZ3 LYS 22 69.444 -10.981 3.710 180 H GLY 23 H GLY 23 75.678 -11.895 2.764 181 HA2 GLY 23 HA2 GLY 23 75.947 -14.181 2.725 182 HA3 GLY 23 HA3 GLY 23 74.522 -14.162 1.693 183 H GLY 24 H GLY 24 77.493 -12.581 0.732 184 HA2 GLY 24 HA2 GLY 24 77.663 -14.319 -1.602 185 HA3 GLY 24 HA3 GLY 24 78.597 -12.854 -1.313 186 H LYS 25 H LYS 25 80.611 -13.654 -1.682 187 HA LYS 25 HA LYS 25 81.743 -15.337 0.411 188 HB2 LYS 25 HB2 LYS 25 82.909 -16.702 -1.483 189 HB3 LYS 25 HB3 LYS 25 81.262 -17.126 -1.017 190 HG2 LYS 25 HG2 LYS 25 80.360 -15.821 -2.877 191 HG3 LYS 25 HG3 LYS 25 81.983 -15.291 -3.321 192 HD2 LYS 25 HD2 LYS 25 82.643 -17.564 -3.852 193 HD3 LYS 25 HD3 LYS 25 81.110 -18.192 -3.245 194 HE2 LYS 25 HE2 LYS 25 79.955 -16.758 -4.994 195 HE3 LYS 25 HE3 LYS 25 81.550 -16.451 -5.681 196 HZ1 LYS 25 HZ1 LYS 25 80.095 -18.445 -6.498 197 HZ2 LYS 25 HZ2 LYS 25 80.767 -19.223 -5.146 198 HZ3 LYS 25 HZ3 LYS 25 81.778 -18.600 -6.359 199 H HIS 26 H HIS 26 83.366 -14.100 1.081 200 HA HIS 26 HA HIS 26 84.575 -12.022 -0.314 201 HB2 HIS 26 HB2 HIS 26 86.573 -12.878 1.407 202 HB3 HIS 26 HB1 HIS 26 85.273 -11.764 1.818 203 HD1 HIS 26 HD1 HIS 26 85.433 -15.571 1.464 204 HD2 HIS 26 HD2 HIS 26 84.091 -12.660 4.129 205 HE1 HIS 26 HE1 HIS 26 84.367 -16.808 3.400 206 HE2 HIS 26 HE2 HIS 26 83.544 -15.048 5.033 207 H LYS 27 H LYS 27 85.902 -11.948 -1.972 208 HA LYS 27 HA LYS 27 87.625 -14.287 -2.554 209 HB2 LYS 27 HB2 LYS 27 85.635 -13.923 -4.126 210 HB3 LYS 27 HB3 LYS 27 86.460 -12.457 -4.653 211 HG2 LYS 27 HG2 LYS 27 88.509 -13.931 -5.073 212 HG3 LYS 27 HG3 LYS 27 87.429 -15.313 -4.871 213 HD2 LYS 27 HD2 LYS 27 87.172 -13.096 -6.925 214 HD3 LYS 27 HD3 LYS 27 87.567 -14.786 -7.239 215 HE2 LYS 27 HE2 LYS 27 85.305 -15.314 -6.084 216 HE3 LYS 27 HE3 LYS 27 84.940 -13.608 -6.339 217 HZ1 LYS 27 HZ1 LYS 27 85.445 -15.708 -8.349 218 HZ2 LYS 27 HZ2 LYS 27 85.654 -14.067 -8.735 219 HZ3 LYS 27 HZ3 LYS 27 84.134 -14.637 -8.236 220 H THR 28 H THR 28 89.585 -13.598 -1.890 221 HA THR 28 HA THR 28 91.542 -12.400 -1.848 222 HB THR 28 HB THR 28 90.472 -10.837 -4.201 223 HG1 THR 28 HG1 THR 28 90.862 -12.514 -5.445 224 HG21 THR 28 HG21 THR 28 93.183 -11.468 -3.057 225 HG22 THR 28 HG22 THR 28 92.531 -9.914 -3.571 226 HG23 THR 28 HG23 THR 28 93.009 -11.111 -4.773 227 H GLY 29 H GLY 29 89.077 -11.501 -0.465 228 HA2 GLY 29 HA2 GLY 29 89.964 -9.281 0.865 229 HA3 GLY 29 HA3 GLY 29 89.062 -8.626 -0.498 230 HA PRO 30 HA PRO 30 86.230 -10.076 3.070 231 HB2 PRO 30 HB2 PRO 30 85.803 -7.706 4.356 232 HB3 PRO 30 HB1 PRO 30 87.124 -8.811 4.786 233 HG2 PRO 30 HG2 PRO 30 87.196 -6.329 3.133 234 HG3 PRO 30 HG1 PRO 30 88.347 -6.906 4.352 235 HD2 PRO 30 HD2 PRO 30 88.775 -7.187 1.663 236 HD3 PRO 30 HD1 PRO 30 89.417 -8.324 2.870 237 H ASN 31 H ASN 31 83.947 -9.284 3.435 238 HA ASN 31 HA ASN 31 82.907 -8.097 0.946 239 HB2 ASN 31 HB2 ASN 31 82.139 -10.379 2.086 240 HB3 ASN 31 HB1 ASN 31 81.115 -9.293 3.020 241 HD21 ASN 31 HD21 ASN 31 80.555 -11.281 0.689 242 HD22 ASN 31 HD22 ASN 31 79.638 -10.354 -0.400 243 H LEU 32 H LEU 32 82.022 -6.148 0.923 244 HA LEU 32 HA LEU 32 82.071 -4.520 3.296 245 HB2 LEU 32 HB2 LEU 32 80.915 -3.717 0.632 246 HB3 LEU 32 HB3 LEU 32 81.629 -2.688 1.869 247 HG LEU 32 HG LEU 32 83.041 -4.635 0.034 248 HD11 LEU 32 HD11 LEU 32 83.089 -1.653 0.505 249 HD12 LEU 32 HD12 LEU 32 82.880 -2.527 -1.009 250 HD13 LEU 32 HD13 LEU 32 84.462 -2.471 -0.240 251 HD21 LEU 32 HD21 LEU 32 83.977 -3.356 2.606 252 HD22 LEU 32 HD22 LEU 32 85.111 -3.851 1.352 253 HD23 LEU 32 HD23 LEU 32 84.079 -5.050 2.130 254 H HIS 33 H HIS 33 80.198 -6.705 3.452 255 HA HIS 33 HA HIS 33 77.534 -6.030 2.933 256 HB2 HIS 33 HB2 HIS 33 78.753 -7.616 5.203 257 HB3 HIS 33 HB1 HIS 33 77.017 -7.499 4.925 258 HD1 HIS 33 HD1 HIS 33 78.092 -10.260 4.698 259 HD2 HIS 33 HD2 HIS 33 78.131 -7.649 1.447 260 HE1 HIS 33 HE1 HIS 33 78.238 -11.702 2.623 261 HE2 HIS 33 HE2 HIS 33 78.265 -10.124 0.635 262 H GLY 34 H GLY 34 75.987 -4.832 4.020 263 HA2 GLY 34 HA2 GLY 34 75.435 -2.809 5.103 264 HA3 GLY 34 HA3 GLY 34 75.671 -3.889 6.474 265 H LEU 35 H LEU 35 78.133 -2.691 4.272 266 HA LEU 35 HA LEU 35 80.086 -2.121 6.115 267 HB2 LEU 35 HB2 LEU 35 80.465 -2.179 3.711 268 HB3 LEU 35 HB3 LEU 35 79.491 -0.730 3.497 269 HG LEU 35 HG LEU 35 81.245 0.262 5.258 270 HD11 LEU 35 HD11 LEU 35 83.406 -0.694 5.132 271 HD12 LEU 35 HD12 LEU 35 82.974 -1.686 3.743 272 HD13 LEU 35 HD13 LEU 35 82.337 -2.080 5.337 273 HD21 LEU 35 HD21 LEU 35 80.776 0.976 2.870 274 HD22 LEU 35 HD22 LEU 35 82.034 -0.150 2.367 275 HD23 LEU 35 HD23 LEU 35 82.439 1.216 3.405 276 H PHE 36 H PHE 36 77.910 0.298 4.656 277 HA PHE 36 HA PHE 36 78.717 2.495 6.133 278 HB2 PHE 36 HB2 PHE 36 75.873 1.965 5.254 279 HB3 PHE 36 HB1 PHE 36 76.644 3.532 5.499 280 HD1 PHE 36 HD2 PHE 36 76.639 0.479 3.376 281 HD2 PHE 36 HD1 PHE 36 78.044 4.518 3.814 282 HE1 PHE 36 HE2 PHE 36 77.456 0.452 1.037 283 HE2 PHE 36 HE1 PHE 36 78.852 4.489 1.480 284 HZ PHE 36 HZ PHE 36 78.561 2.459 0.085 285 H GLY 37 H GLY 37 79.089 2.064 8.319 286 HA2 GLY 37 HA2 GLY 37 77.609 2.767 10.307 287 HA3 GLY 37 HA3 GLY 37 76.739 1.289 9.934 288 H ARG 38 H ARG 38 79.321 -0.102 9.224 289 HA ARG 38 HA ARG 38 79.945 -0.917 11.955 290 HB2 ARG 38 HB2 ARG 38 80.281 -2.063 9.249 291 HB3 ARG 38 HB3 ARG 38 81.551 -2.463 10.403 292 HG2 ARG 38 HG2 ARG 38 79.643 -3.081 12.026 293 HG3 ARG 38 HG3 ARG 38 78.590 -3.033 10.613 294 HD2 ARG 38 HD2 ARG 38 81.127 -4.609 10.424 295 HD3 ARG 38 HD3 ARG 38 79.801 -5.287 11.357 296 HE ARG 38 HE ARG 38 78.456 -4.797 9.190 297 HH11 ARG 38 HH21 ARG 38 81.799 -5.750 9.352 298 HH12 ARG 38 HH22 ARG 38 81.777 -6.539 7.811 299 HH21 ARG 38 HH11 ARG 38 78.444 -5.850 7.192 300 HH22 ARG 38 HH12 ARG 38 79.886 -6.602 6.599 301 H LYS 39 H LYS 39 81.961 -0.904 12.910 302 HA LYS 39 HA LYS 39 83.650 1.307 12.326 303 HB2 LYS 39 HB2 LYS 39 83.718 -0.979 14.257 304 HB3 LYS 39 HB3 LYS 39 85.168 0.000 14.038 305 HG2 LYS 39 HG2 LYS 39 82.543 1.396 14.459 306 HG3 LYS 39 HG3 LYS 39 83.346 0.670 15.851 307 HD2 LYS 39 HD2 LYS 39 85.425 1.937 15.250 308 HD3 LYS 39 HD3 LYS 39 84.517 2.740 13.969 309 HE2 LYS 39 HE2 LYS 39 84.197 2.985 16.948 310 HE3 LYS 39 HE3 LYS 39 84.319 4.261 15.737 311 HZ1 LYS 39 HZ1 LYS 39 82.133 3.303 14.863 312 HZ2 LYS 39 HZ2 LYS 39 82.082 4.226 16.290 313 HZ3 LYS 39 HZ3 LYS 39 82.013 2.529 16.367 314 H THR 40 H THR 40 86.097 0.997 12.133 315 HA THR 40 HA THR 40 86.658 -0.341 9.695 316 HB THR 40 HB THR 40 89.075 0.221 10.327 317 HG1 THR 40 HG1 THR 40 87.790 1.733 12.333 318 HG21 THR 40 HG21 THR 40 88.624 2.694 10.062 319 HG22 THR 40 HG22 THR 40 86.904 2.325 10.196 320 HG23 THR 40 HG23 THR 40 87.845 1.671 8.855 321 H GLY 41 H GLY 41 87.905 -2.153 9.260 322 HA2 GLY 41 HA2 GLY 41 88.434 -4.376 9.570 323 HA3 GLY 41 HA3 GLY 41 89.379 -3.750 10.918 324 H GLN 42 H GLN 42 85.885 -4.073 10.331 325 HA GLN 42 HA GLN 42 85.662 -5.434 12.951 326 HB2 GLN 42 HB2 GLN 42 84.436 -3.302 12.789 327 HB3 GLN 42 HB1 GLN 42 83.547 -3.924 11.398 328 HG2 GLN 42 HG2 GLN 42 82.377 -5.499 12.682 329 HG3 GLN 42 HG1 GLN 42 83.568 -5.469 13.982 330 HE21 GLN 42 HE21 GLN 42 81.759 -2.809 12.341 331 HE22 GLN 42 HE22 GLN 42 81.121 -2.169 13.778 332 H ALA 43 H ALA 43 85.588 -5.993 9.647 333 HA ALA 43 HA ALA 43 83.509 -8.010 9.677 334 HB1 ALA 43 HB1 ALA 43 83.549 -7.306 7.532 335 HB2 ALA 43 HB2 ALA 43 84.915 -8.405 7.349 336 HB3 ALA 43 HB3 ALA 43 85.196 -6.694 7.672 337 HA PRO 44 HA PRO 44 86.571 -11.000 11.108 338 HB2 PRO 44 HB2 PRO 44 84.856 -12.998 11.720 339 HB3 PRO 44 HB1 PRO 44 84.984 -11.536 12.720 340 HG2 PRO 44 HG2 PRO 44 82.938 -12.250 10.671 341 HG3 PRO 44 HG1 PRO 44 82.728 -11.478 12.253 342 HD2 PRO 44 HD2 PRO 44 82.785 -10.099 9.858 343 HD3 PRO 44 HD1 PRO 44 83.195 -9.379 11.433 344 H GLY 45 H GLY 45 86.048 -10.642 8.250 345 HA2 GLY 45 HA2 GLY 45 85.886 -13.420 7.266 346 HA3 GLY 45 HA3 GLY 45 85.673 -11.972 6.288 347 H PHE 46 H PHE 46 87.670 -10.504 6.242 348 HA PHE 46 HA PHE 46 89.968 -12.181 5.542 349 HB2 PHE 46 HB2 PHE 46 88.946 -10.313 4.062 350 HB3 PHE 46 HB1 PHE 46 89.791 -9.202 5.139 351 HD1 PHE 46 HD1 PHE 46 92.276 -9.317 5.361 352 HD2 PHE 46 HD2 PHE 46 90.132 -11.662 2.469 353 HE1 PHE 46 HE1 PHE 46 94.391 -9.741 4.136 354 HE2 PHE 46 HE2 PHE 46 92.247 -12.085 1.244 355 HZ PHE 46 HZ PHE 46 94.376 -11.124 2.077 356 H THR 47 H THR 47 92.114 -11.644 6.235 357 HA THR 47 HA THR 47 92.278 -11.025 9.022 358 HB THR 47 HB THR 47 94.604 -11.121 7.105 359 HG1 THR 47 HG1 THR 47 93.474 -12.959 6.685 360 HG21 THR 47 HG21 THR 47 95.721 -12.081 9.114 361 HG22 THR 47 HG22 THR 47 94.233 -11.840 10.025 362 HG23 THR 47 HG23 THR 47 95.114 -10.451 9.396 363 H TYR 48 H TYR 48 91.349 -8.916 9.098 364 HA TYR 48 HA TYR 48 92.288 -6.681 7.679 365 HB2 TYR 48 HB2 TYR 48 90.769 -7.082 10.225 366 HB3 TYR 48 HB3 TYR 48 91.360 -5.469 9.835 367 HD1 TYR 48 HD1 TYR 48 90.619 -4.307 7.806 368 HD2 TYR 48 HD2 TYR 48 89.025 -8.137 8.907 369 HE1 TYR 48 HE1 TYR 48 88.757 -3.984 6.214 370 HE2 TYR 48 HE2 TYR 48 87.156 -7.816 7.312 371 HH TYR 48 HH TYR 48 86.463 -4.798 5.898 372 H THR 49 H THR 49 93.630 -4.959 8.310 373 HA THR 49 HA THR 49 95.989 -5.811 9.775 374 HB THR 49 HB THR 49 96.979 -3.746 8.982 375 HG1 THR 49 HG1 THR 49 95.795 -2.110 8.332 376 HG21 THR 49 HG21 THR 49 96.452 -5.750 7.397 377 HG22 THR 49 HG22 THR 49 96.962 -4.221 6.684 378 HG23 THR 49 HG23 THR 49 95.254 -4.663 6.693 379 H ASP 50 H ASP 50 96.905 -4.605 11.531 380 HA ASP 50 HA ASP 50 95.220 -4.105 13.663 381 HB2 ASP 50 HB2 ASP 50 97.807 -2.604 13.327 382 HB3 ASP 50 HB1 ASP 50 97.088 -3.247 14.803 383 H ALA 51 H ALA 51 96.433 -1.835 11.235 384 HA ALA 51 HA ALA 51 95.536 0.559 12.364 385 HB1 ALA 51 HB1 ALA 51 96.960 0.676 10.466 386 HB2 ALA 51 HB2 ALA 51 95.411 1.336 9.943 387 HB3 ALA 51 HB3 ALA 51 95.867 -0.306 9.492 388 H ASN 52 H ASN 52 93.819 -1.785 10.332 389 HA ASN 52 HA ASN 52 91.394 -0.198 10.298 390 HB2 ASN 52 HB2 ASN 52 92.302 -2.793 9.150 391 HB3 ASN 52 HB1 ASN 52 90.572 -2.597 9.407 392 HD21 ASN 52 HD21 ASN 52 90.190 -2.497 7.075 393 HD22 ASN 52 HD22 ASN 52 90.604 -1.110 6.185 394 H LYS 53 H LYS 53 92.782 -2.736 12.215 395 HA LYS 53 HA LYS 53 90.280 -3.412 13.526 396 HB2 LYS 53 HB2 LYS 53 91.519 -5.324 13.592 397 HB3 LYS 53 HB3 LYS 53 93.041 -4.458 13.450 398 HG2 LYS 53 HG2 LYS 53 92.979 -3.879 15.826 399 HG3 LYS 53 HG3 LYS 53 91.392 -4.633 15.988 400 HD2 LYS 53 HD2 LYS 53 92.521 -6.779 15.115 401 HD3 LYS 53 HD3 LYS 53 94.048 -5.960 15.446 402 HE2 LYS 53 HE2 LYS 53 93.392 -7.321 17.378 403 HE3 LYS 53 HE3 LYS 53 93.330 -5.609 17.796 404 HZ1 LYS 53 HZ1 LYS 53 91.352 -7.156 18.378 405 HZ2 LYS 53 HZ2 LYS 53 90.922 -6.929 16.751 406 HZ3 LYS 53 HZ3 LYS 53 91.052 -5.594 17.792 407 H ASN 54 H ASN 54 92.605 -1.009 13.723 408 HA ASN 54 HA ASN 54 92.772 -0.574 16.519 409 HB2 ASN 54 HB2 ASN 54 93.893 1.361 15.964 410 HB3 ASN 54 HB1 ASN 54 94.108 0.445 14.479 411 HD21 ASN 54 HD21 ASN 54 91.436 0.795 13.418 412 HD22 ASN 54 HD22 ASN 54 91.248 2.435 13.026 413 H LYS 55 H LYS 55 90.314 -0.071 14.218 414 HA LYS 55 HA LYS 55 88.218 0.884 14.316 415 HB2 LYS 55 HB2 LYS 55 88.388 0.859 17.313 416 HB3 LYS 55 HB3 LYS 55 87.005 0.523 16.272 417 HG2 LYS 55 HG2 LYS 55 88.599 -1.467 15.443 418 HG3 LYS 55 HG3 LYS 55 89.264 -1.265 17.065 419 HD2 LYS 55 HD2 LYS 55 86.812 -1.335 17.876 420 HD3 LYS 55 HD3 LYS 55 86.438 -1.978 16.277 421 HE2 LYS 55 HE2 LYS 55 86.807 -3.916 17.564 422 HE3 LYS 55 HE3 LYS 55 88.353 -3.672 16.751 423 HZ1 LYS 55 HZ1 LYS 55 89.238 -3.687 18.774 424 HZ2 LYS 55 HZ2 LYS 55 87.726 -3.561 19.538 425 HZ3 LYS 55 HZ3 LYS 55 88.536 -2.163 19.013 426 H GLY 56 H GLY 56 89.693 2.815 13.625 427 HA2 GLY 56 HA2 GLY 56 89.812 4.951 15.612 428 HA3 GLY 56 HA3 GLY 56 90.432 5.020 13.966 429 H ILE 57 H ILE 57 88.141 4.242 12.557 430 HA ILE 57 HA ILE 57 86.100 6.239 13.295 431 HB ILE 57 HB ILE 57 86.021 7.107 11.032 432 HG12 ILE 57 HG12 ILE 57 88.124 6.321 9.579 433 HG13 ILE 57 HG13 ILE 57 87.952 4.857 10.542 434 HG21 ILE 57 HG21 ILE 57 87.629 8.100 12.647 435 HG22 ILE 57 HG22 ILE 57 88.182 8.248 10.980 436 HG23 ILE 57 HG23 ILE 57 88.881 7.020 12.034 437 HD11 ILE 57 HD11 ILE 57 85.888 4.328 9.614 438 HD12 ILE 57 HD12 ILE 57 86.648 5.138 8.249 439 HD13 ILE 57 HD13 ILE 57 85.496 6.009 9.255 440 H THR 58 H THR 58 84.241 6.005 11.519 441 HA THR 58 HA THR 58 83.709 3.108 11.222 442 HB THR 58 HB THR 58 81.815 5.338 11.977 443 HG1 THR 58 HG1 THR 58 83.172 4.269 13.584 444 HG21 THR 58 HG21 THR 58 81.308 2.483 11.134 445 HG22 THR 58 HG22 THR 58 80.599 3.949 10.464 446 HG23 THR 58 HG23 THR 58 80.145 3.409 12.080 447 H TRP 59 H TRP 59 82.858 2.390 9.326 448 HA TRP 59 HA TRP 59 83.228 3.955 6.997 449 HB2 TRP 59 HB2 TRP 59 81.421 1.546 7.138 450 HB3 TRP 59 HB1 TRP 59 82.387 2.119 5.779 451 HD1 TRP 59 HD1 TRP 59 85.159 2.507 7.179 452 HE1 TRP 59 HE1 TRP 59 86.510 0.448 7.964 453 HE3 TRP 59 HE3 TRP 59 81.417 -0.946 7.528 454 HZ2 TRP 59 HZ2 TRP 59 86.049 -2.282 8.679 455 HZ3 TRP 59 HZ3 TRP 59 81.901 -3.263 8.254 456 HH2 TRP 59 HH2 TRP 59 84.211 -3.932 8.829 457 H LYS 60 H LYS 60 81.842 5.130 5.785 458 HA LYS 60 HA LYS 60 78.984 5.109 6.241 459 HB2 LYS 60 HB2 LYS 60 80.687 7.484 7.023 460 HB3 LYS 60 HB3 LYS 60 78.957 7.603 6.716 461 HG2 LYS 60 HG2 LYS 60 78.751 5.651 8.434 462 HG3 LYS 60 HG3 LYS 60 80.379 6.121 8.920 463 HD2 LYS 60 HD2 LYS 60 78.105 8.109 8.740 464 HD3 LYS 60 HD3 LYS 60 78.463 7.211 10.213 465 HE2 LYS 60 HE2 LYS 60 80.723 8.129 10.275 466 HE3 LYS 60 HE3 LYS 60 80.458 8.955 8.739 467 HZ1 LYS 60 HZ1 LYS 60 78.483 9.493 10.785 468 HZ2 LYS 60 HZ2 LYS 60 79.251 10.557 9.705 469 HZ3 LYS 60 HZ3 LYS 60 80.040 10.071 11.130 470 H GLU 61 H GLU 61 78.418 7.580 5.013 471 HA GLU 61 HA GLU 61 78.989 6.905 2.274 472 HB2 GLU 61 HB2 GLU 61 76.816 7.839 2.877 473 HB3 GLU 61 HB3 GLU 61 77.590 9.302 3.486 474 HG2 GLU 61 HG2 GLU 61 78.351 9.917 1.299 475 HG3 GLU 61 HG3 GLU 61 77.914 8.343 0.636 476 H GLU 62 H GLU 62 79.616 9.835 4.228 477 HA GLU 62 HA GLU 62 81.410 10.960 2.327 478 HB2 GLU 62 HB2 GLU 62 81.121 11.562 5.280 479 HB3 GLU 62 HB3 GLU 62 81.937 12.578 4.092 480 HG2 GLU 62 HG2 GLU 62 79.887 12.987 2.909 481 HG3 GLU 62 HG3 GLU 62 79.034 11.758 3.844 482 H THR 63 H THR 63 81.879 9.075 5.293 483 HA THR 63 HA THR 63 84.662 9.284 5.492 484 HB THR 63 HB THR 63 84.566 7.184 6.750 485 HG1 THR 63 HG1 THR 63 82.985 6.289 5.199 486 HG21 THR 63 HG21 THR 63 82.628 7.828 8.296 487 HG22 THR 63 HG22 THR 63 82.319 9.150 7.169 488 HG23 THR 63 HG23 THR 63 83.861 9.057 8.017 489 H LEU 64 H LEU 64 82.623 7.219 3.504 490 HA LEU 64 HA LEU 64 84.725 5.563 2.532 491 HB2 LEU 64 HB2 LEU 64 81.870 5.925 2.010 492 HB3 LEU 64 HB3 LEU 64 82.785 5.540 0.559 493 HG LEU 64 HG LEU 64 83.018 3.962 3.133 494 HD11 LEU 64 HD11 LEU 64 81.005 3.878 0.972 495 HD12 LEU 64 HD12 LEU 64 80.928 3.235 2.610 496 HD13 LEU 64 HD13 LEU 64 81.741 2.320 1.342 497 HD21 LEU 64 HD21 LEU 64 83.763 2.282 1.157 498 HD22 LEU 64 HD22 LEU 64 84.906 3.364 1.948 499 HD23 LEU 64 HD23 LEU 64 84.206 3.809 0.393 500 H MET 65 H MET 65 83.342 8.642 1.523 501 HA MET 65 HA MET 65 84.436 8.781 -1.060 502 HB2 MET 65 HB2 MET 65 83.879 11.011 0.904 503 HB3 MET 65 HB1 MET 65 84.232 11.242 -0.808 504 HG2 MET 65 HG2 MET 65 82.260 10.027 -1.458 505 HG3 MET 65 HG1 MET 65 81.972 9.504 0.198 506 HE1 MET 65 HE1 MET 65 80.390 11.448 -2.259 507 HE2 MET 65 HE2 MET 65 81.951 12.255 -2.390 508 HE3 MET 65 HE3 MET 65 80.533 13.170 -1.884 509 H GLU 66 H GLU 66 85.744 10.207 1.948 510 HA GLU 66 HA GLU 66 88.191 11.034 0.824 511 HB2 GLU 66 HB2 GLU 66 87.372 10.354 3.649 512 HB3 GLU 66 HB3 GLU 66 88.995 10.917 3.250 513 HG2 GLU 66 HG2 GLU 66 86.526 12.426 2.386 514 HG3 GLU 66 HG3 GLU 66 87.295 12.712 3.945 515 H TYR 67 H TYR 67 87.073 7.976 2.064 516 HA TYR 67 HA TYR 67 89.678 6.733 2.143 517 HB2 TYR 67 HB2 TYR 67 87.993 5.887 3.633 518 HB3 TYR 67 HB3 TYR 67 86.859 5.662 2.306 519 HD1 TYR 67 HD2 TYR 67 87.150 3.844 0.676 520 HD2 TYR 67 HD1 TYR 67 89.816 4.323 4.011 521 HE1 TYR 67 HE2 TYR 67 88.013 1.547 0.317 522 HE2 TYR 67 HE1 TYR 67 90.677 2.024 3.652 523 HH TYR 67 HH TYR 67 89.495 0.021 0.948 524 H LEU 68 H LEU 68 87.140 7.201 -0.174 525 HA LEU 68 HA LEU 68 88.045 5.159 -2.001 526 HB2 LEU 68 HB2 LEU 68 85.865 7.168 -1.892 527 HB3 LEU 68 HB3 LEU 68 86.412 6.722 -3.502 528 HG LEU 68 HG LEU 68 85.625 4.716 -1.370 529 HD11 LEU 68 HD11 LEU 68 83.611 4.436 -2.969 530 HD12 LEU 68 HD12 LEU 68 84.051 6.029 -3.585 531 HD13 LEU 68 HD13 LEU 68 83.617 5.827 -1.888 532 HD21 LEU 68 HD21 LEU 68 86.859 3.464 -2.851 533 HD22 LEU 68 HD22 LEU 68 86.580 4.566 -4.194 534 HD23 LEU 68 HD23 LEU 68 85.321 3.439 -3.704 535 H GLU 69 H GLU 69 88.779 8.465 -1.355 536 HA GLU 69 HA GLU 69 90.092 8.839 -3.951 537 HB2 GLU 69 HB2 GLU 69 88.990 10.809 -3.456 538 HB3 GLU 69 HB3 GLU 69 89.196 10.612 -1.717 539 HG2 GLU 69 HG2 GLU 69 91.481 11.297 -1.816 540 HG3 GLU 69 HG3 GLU 69 91.505 11.188 -3.577 541 H ASN 70 H ASN 70 90.761 7.694 -0.867 542 HA ASN 70 HA ASN 70 93.539 7.363 -1.391 543 HB2 ASN 70 HB2 ASN 70 94.394 8.769 0.466 544 HB3 ASN 70 HB1 ASN 70 93.678 9.725 -0.830 545 HD21 ASN 70 HD21 ASN 70 93.202 8.626 2.511 546 HD22 ASN 70 HD22 ASN 70 91.922 9.686 2.854 547 HA PRO 71 HA PRO 71 91.229 4.482 1.530 548 HB2 PRO 71 HB2 PRO 71 93.075 2.662 0.042 549 HB3 PRO 71 HB1 PRO 71 91.374 2.428 0.484 550 HG2 PRO 71 HG2 PRO 71 92.109 3.032 -2.011 551 HG3 PRO 71 HG1 PRO 71 90.602 3.639 -1.305 552 HD2 PRO 71 HD2 PRO 71 93.138 5.101 -1.864 553 HD3 PRO 71 HD1 PRO 71 91.470 5.711 -1.816 554 H LYS 72 H LYS 72 94.646 4.822 0.675 555 HA LYS 72 HA LYS 72 95.575 3.525 3.084 556 HB2 LYS 72 HB2 LYS 72 96.822 3.426 0.944 557 HB3 LYS 72 HB3 LYS 72 97.112 5.160 1.060 558 HG2 LYS 72 HG2 LYS 72 99.062 4.323 2.023 559 HG3 LYS 72 HG3 LYS 72 98.058 4.551 3.451 560 HD2 LYS 72 HD2 LYS 72 98.871 2.368 3.740 561 HD3 LYS 72 HD3 LYS 72 97.289 2.093 3.016 562 HE2 LYS 72 HE2 LYS 72 98.572 0.745 1.647 563 HE3 LYS 72 HE3 LYS 72 98.700 2.258 0.753 564 HZ1 LYS 72 HZ1 LYS 72 100.636 1.410 2.832 565 HZ2 LYS 72 HZ2 LYS 72 100.786 2.714 1.755 566 HZ3 LYS 72 HZ3 LYS 72 100.853 1.118 1.177 567 H LYS 73 H LYS 73 95.595 6.881 1.853 568 HA LYS 73 HA LYS 73 96.870 7.982 4.107 569 HB2 LYS 73 HB2 LYS 73 96.332 9.005 1.739 570 HB3 LYS 73 HB3 LYS 73 94.884 9.595 2.552 571 HG2 LYS 73 HG2 LYS 73 96.569 10.382 4.406 572 HG3 LYS 73 HG3 LYS 73 97.766 10.241 3.119 573 HD2 LYS 73 HD2 LYS 73 97.101 12.441 2.807 574 HD3 LYS 73 HD3 LYS 73 95.958 11.624 1.742 575 HE2 LYS 73 HE2 LYS 73 94.340 11.542 3.683 576 HE3 LYS 73 HE3 LYS 73 95.460 12.569 4.577 577 HZ1 LYS 73 HZ1 LYS 73 93.694 13.816 3.426 578 HZ2 LYS 73 HZ2 LYS 73 94.295 13.261 1.937 579 HZ3 LYS 73 HZ3 LYS 73 95.251 14.263 2.922 580 H TYR 74 H TYR 74 93.619 6.910 3.651 581 HA TYR 74 HA TYR 74 92.456 8.552 5.707 582 HB2 TYR 74 HB2 TYR 74 91.356 7.198 3.684 583 HB3 TYR 74 HB3 TYR 74 91.205 5.957 4.926 584 HD1 TYR 74 HD1 TYR 74 90.751 9.680 4.627 585 HD2 TYR 74 HD2 TYR 74 89.217 5.966 6.148 586 HE1 TYR 74 HE1 TYR 74 88.796 10.874 5.577 587 HE2 TYR 74 HE2 TYR 74 87.264 7.161 7.097 588 HH TYR 74 HH TYR 74 86.441 9.212 7.619 589 H ILE 75 H ILE 75 93.184 5.061 5.518 590 HA ILE 75 HA ILE 75 93.645 5.088 8.444 591 HB ILE 75 HB ILE 75 92.326 2.862 6.870 592 HG12 ILE 75 HG12 ILE 75 91.024 4.582 8.985 593 HG13 ILE 75 HG13 ILE 75 91.016 5.073 7.293 594 HG21 ILE 75 HG21 ILE 75 93.056 3.254 9.779 595 HG22 ILE 75 HG22 ILE 75 93.478 1.907 8.722 596 HG23 ILE 75 HG23 ILE 75 91.816 2.105 9.279 597 HD11 ILE 75 HD11 ILE 75 90.051 2.364 8.238 598 HD12 ILE 75 HD12 ILE 75 89.857 3.069 6.634 599 HD13 ILE 75 HD13 ILE 75 88.984 3.749 8.007 600 HA PRO 76 HA PRO 76 97.459 3.846 5.978 601 HB2 PRO 76 HB2 PRO 76 98.440 4.658 8.697 602 HB3 PRO 76 HB1 PRO 76 99.165 4.955 7.104 603 HG2 PRO 76 HG2 PRO 76 97.829 6.864 8.393 604 HG3 PRO 76 HG1 PRO 76 97.742 6.699 6.630 605 HD2 PRO 76 HD2 PRO 76 95.673 6.077 8.673 606 HD3 PRO 76 HD1 PRO 76 95.474 6.503 6.960 607 H GLY 77 H GLY 77 98.015 1.754 5.906 608 HA2 GLY 77 HA2 GLY 77 99.069 -0.121 7.120 609 HA3 GLY 77 HA3 GLY 77 97.879 0.141 8.391 610 H THR 78 H THR 78 95.752 0.693 6.393 611 HA THR 78 HA THR 78 94.582 -1.831 6.218 612 HB THR 78 HB THR 78 93.378 0.337 5.974 613 HG1 THR 78 HG1 THR 78 93.143 -1.614 3.938 614 HG21 THR 78 HG21 THR 78 94.398 0.290 3.132 615 HG22 THR 78 HG22 THR 78 95.157 1.258 4.396 616 HG23 THR 78 HG23 THR 78 93.483 1.565 3.934 617 H LYS 79 H LYS 79 94.464 -3.397 4.623 618 HA LYS 79 HA LYS 79 96.666 -3.365 2.696 619 HB2 LYS 79 HB2 LYS 79 96.029 -5.359 4.188 620 HB3 LYS 79 HB3 LYS 79 94.671 -5.589 3.092 621 HG2 LYS 79 HG2 LYS 79 96.247 -6.929 2.047 622 HG3 LYS 79 HG3 LYS 79 96.571 -5.397 1.236 623 HD2 LYS 79 HD2 LYS 79 98.383 -4.917 2.830 624 HD3 LYS 79 HD3 LYS 79 98.044 -6.423 3.683 625 HE2 LYS 79 HE2 LYS 79 98.439 -7.603 1.441 626 HE3 LYS 79 HE3 LYS 79 99.117 -6.075 0.880 627 HZ1 LYS 79 HZ1 LYS 79 100.755 -7.682 1.827 628 HZ2 LYS 79 HZ2 LYS 79 100.026 -7.450 3.344 629 HZ3 LYS 79 HZ3 LYS 79 100.772 -6.147 2.547 630 H MET 80 H MET 80 95.966 -1.867 1.154 631 HA MET 80 HA MET 80 94.444 -2.890 -0.988 632 HB2 MET 80 HB2 MET 80 92.495 -2.500 0.411 633 HB3 MET 80 HB1 MET 80 93.021 -0.849 0.740 634 HG2 MET 80 HG2 MET 80 92.707 -0.201 -1.551 635 HG3 MET 80 HG1 MET 80 92.470 -1.874 -2.055 636 HE1 MET 80 HE1 MET 80 89.163 0.604 -2.076 637 HE2 MET 80 HE2 MET 80 90.314 -0.155 -3.172 638 HE3 MET 80 HE3 MET 80 90.862 1.091 -2.054 639 H ILE 81 H ILE 81 96.129 -2.144 -2.233 640 HA ILE 81 HA ILE 81 96.311 0.793 -2.531 641 HB ILE 81 HB ILE 81 98.625 -1.158 -2.671 642 HG12 ILE 81 HG12 ILE 81 99.306 0.469 -0.671 643 HG13 ILE 81 HG13 ILE 81 97.560 0.657 -0.523 644 HG21 ILE 81 HG21 ILE 81 98.384 1.837 -3.033 645 HG22 ILE 81 HG22 ILE 81 99.000 0.657 -4.188 646 HG23 ILE 81 HG23 ILE 81 99.922 1.030 -2.733 647 HD11 ILE 81 HD11 ILE 81 97.734 -1.203 0.790 648 HD12 ILE 81 HD12 ILE 81 99.266 -1.690 0.069 649 HD13 ILE 81 HD13 ILE 81 97.750 -2.059 -0.750 650 H PHE 82 H PHE 82 94.809 0.539 -4.283 651 HA PHE 82 HA PHE 82 95.996 -0.692 -6.704 652 HB2 PHE 82 HB2 PHE 82 94.016 -1.896 -6.263 653 HB3 PHE 82 HB1 PHE 82 93.137 -0.448 -5.781 654 HD1 PHE 82 HD2 PHE 82 95.259 -1.231 -8.783 655 HD2 PHE 82 HD1 PHE 82 91.396 -0.076 -7.298 656 HE1 PHE 82 HE2 PHE 82 94.451 -0.946 -11.108 657 HE2 PHE 82 HE1 PHE 82 90.588 0.206 -9.624 658 HZ PHE 82 HZ PHE 82 92.116 -0.228 -11.529 659 H ALA 83 H ALA 83 93.237 1.495 -6.427 660 HA ALA 83 HA ALA 83 94.730 3.781 -7.392 661 HB1 ALA 83 HB1 ALA 83 92.703 2.410 -9.175 662 HB2 ALA 83 HB2 ALA 83 94.430 2.578 -9.488 663 HB3 ALA 83 HB3 ALA 83 93.395 4.005 -9.474 664 H GLY 84 H GLY 84 93.863 5.496 -6.434 665 HA2 GLY 84 HA2 GLY 84 91.298 5.340 -5.126 666 HA3 GLY 84 HA3 GLY 84 92.382 6.728 -5.142 667 H ILE 85 H ILE 85 89.847 7.386 -5.368 668 HA ILE 85 HA ILE 85 89.037 7.495 -8.174 669 HB ILE 85 HB ILE 85 87.761 8.521 -5.633 670 HG12 ILE 85 HG12 ILE 85 87.924 5.961 -6.332 671 HG13 ILE 85 HG13 ILE 85 86.424 6.618 -5.686 672 HG21 ILE 85 HG21 ILE 85 86.927 8.710 -8.526 673 HG22 ILE 85 HG22 ILE 85 86.987 9.992 -7.316 674 HG23 ILE 85 HG23 ILE 85 85.741 8.747 -7.223 675 HD11 ILE 85 HD11 ILE 85 86.951 6.622 -8.653 676 HD12 ILE 85 HD12 ILE 85 85.408 6.732 -7.807 677 HD13 ILE 85 HD13 ILE 85 86.284 5.201 -7.848 678 H LYS 86 H LYS 86 88.434 9.599 -9.144 679 HA LYS 86 HA LYS 86 90.404 11.666 -8.403 680 HB2 LYS 86 HB2 LYS 86 88.966 11.097 -11.000 681 HB3 LYS 86 HB3 LYS 86 89.993 12.507 -10.732 682 HG2 LYS 86 HG2 LYS 86 91.817 10.844 -10.018 683 HG3 LYS 86 HG3 LYS 86 90.792 9.592 -10.722 684 HD2 LYS 86 HD2 LYS 86 91.759 12.054 -12.205 685 HD3 LYS 86 HD3 LYS 86 92.496 10.457 -12.330 686 HE2 LYS 86 HE2 LYS 86 90.148 9.613 -12.968 687 HE3 LYS 86 HE3 LYS 86 89.737 11.312 -13.206 688 HZ1 LYS 86 HZ1 LYS 86 90.687 9.883 -15.154 689 HZ2 LYS 86 HZ2 LYS 86 92.182 10.270 -14.442 690 HZ3 LYS 86 HZ3 LYS 86 91.144 11.507 -14.972 691 H LYS 87 H LYS 87 87.216 11.741 -10.037 692 HA LYS 87 HA LYS 87 86.662 14.333 -8.873 693 HB2 LYS 87 HB2 LYS 87 84.958 12.523 -10.597 694 HB3 LYS 87 HB3 LYS 87 84.548 14.177 -10.146 695 HG2 LYS 87 HG2 LYS 87 87.028 14.607 -11.135 696 HG3 LYS 87 HG3 LYS 87 86.591 13.189 -12.084 697 HD2 LYS 87 HD2 LYS 87 84.839 15.653 -11.843 698 HD3 LYS 87 HD3 LYS 87 85.973 15.381 -13.164 699 HE2 LYS 87 HE2 LYS 87 83.850 13.354 -12.447 700 HE3 LYS 87 HE3 LYS 87 83.542 14.669 -13.580 701 HZ1 LYS 87 HZ1 LYS 87 84.960 13.814 -15.114 702 HZ2 LYS 87 HZ2 LYS 87 84.461 12.364 -14.383 703 HZ3 LYS 87 HZ3 LYS 87 85.953 13.060 -13.965 704 H LYS 88 H LYS 88 84.613 14.793 -7.763 705 HA LYS 88 HA LYS 88 84.282 13.077 -5.500 706 HB2 LYS 88 HB2 LYS 88 83.989 15.623 -5.577 707 HB3 LYS 88 HB3 LYS 88 82.410 15.304 -6.294 708 HG2 LYS 88 HG2 LYS 88 81.897 13.814 -4.326 709 HG3 LYS 88 HG3 LYS 88 83.406 14.356 -3.592 710 HD2 LYS 88 HD2 LYS 88 81.938 15.885 -2.653 711 HD3 LYS 88 HD3 LYS 88 82.399 16.765 -4.110 712 HE2 LYS 88 HE2 LYS 88 80.401 15.845 -5.271 713 HE3 LYS 88 HE3 LYS 88 79.928 15.037 -3.776 714 HZ1 LYS 88 HZ1 LYS 88 79.717 17.816 -4.514 715 HZ2 LYS 88 HZ2 LYS 88 80.338 17.562 -2.953 716 HZ3 LYS 88 HZ3 LYS 88 78.823 16.922 -3.383 717 H THR 89 H THR 89 82.121 13.984 -8.199 718 HA THR 89 HA THR 89 79.934 12.418 -7.528 719 HB THR 89 HB THR 89 79.437 12.354 -9.965 720 HG1 THR 89 HG1 THR 89 81.313 13.979 -10.828 721 HG21 THR 89 HG21 THR 89 80.376 14.980 -8.784 722 HG22 THR 89 HG22 THR 89 78.754 14.297 -8.694 723 HG23 THR 89 HG23 THR 89 79.391 14.851 -10.241 724 H GLU 90 H GLU 90 83.036 11.460 -8.772 725 HA GLU 90 HA GLU 90 82.276 8.878 -9.716 726 HB2 GLU 90 HB2 GLU 90 84.901 10.099 -8.870 727 HB3 GLU 90 HB3 GLU 90 84.779 8.400 -9.323 728 HG2 GLU 90 HG2 GLU 90 84.080 8.929 -11.529 729 HG3 GLU 90 HG3 GLU 90 83.731 10.603 -11.100 730 H ARG 91 H ARG 91 83.384 10.188 -6.640 731 HA ARG 91 HA ARG 91 83.463 7.650 -5.289 732 HB2 ARG 91 HB2 ARG 91 83.310 10.450 -4.133 733 HB3 ARG 91 HB3 ARG 91 83.779 8.988 -3.269 734 HG2 ARG 91 HG2 ARG 91 85.671 8.709 -4.885 735 HG3 ARG 91 HG3 ARG 91 85.247 10.272 -5.585 736 HD2 ARG 91 HD2 ARG 91 85.394 10.612 -2.752 737 HD3 ARG 91 HD3 ARG 91 86.844 9.753 -3.261 738 HE ARG 91 HE ARG 91 86.595 11.796 -5.078 739 HH11 ARG 91 HH21 ARG 91 86.712 11.522 -1.627 740 HH12 ARG 91 HH22 ARG 91 87.451 13.071 -1.393 741 HH21 ARG 91 HH11 ARG 91 87.565 13.826 -4.775 742 HH22 ARG 91 HH12 ARG 91 87.934 14.374 -3.174 743 H GLU 92 H GLU 92 81.258 10.458 -5.220 744 HA GLU 92 HA GLU 92 79.363 9.411 -3.454 745 HB2 GLU 92 HB2 GLU 92 79.588 11.782 -4.605 746 HB3 GLU 92 HB3 GLU 92 78.469 11.086 -5.775 747 HG2 GLU 92 HG2 GLU 92 78.055 11.411 -2.794 748 HG3 GLU 92 HG3 GLU 92 77.130 12.156 -4.095 749 H ASP 93 H ASP 93 79.338 9.347 -7.031 750 HA ASP 93 HA ASP 93 77.036 7.772 -7.331 751 HB2 ASP 93 HB2 ASP 93 79.501 7.918 -9.085 752 HB3 ASP 93 HB1 ASP 93 77.963 7.200 -9.562 753 H LEU 94 H LEU 94 80.461 6.808 -7.228 754 HA LEU 94 HA LEU 94 80.125 4.045 -7.448 755 HB2 LEU 94 HB2 LEU 94 82.331 5.082 -7.573 756 HB3 LEU 94 HB3 LEU 94 82.198 5.605 -5.897 757 HG LEU 94 HG LEU 94 82.158 3.304 -5.121 758 HD11 LEU 94 HD11 LEU 94 81.028 2.067 -6.747 759 HD12 LEU 94 HD12 LEU 94 82.696 1.553 -6.997 760 HD13 LEU 94 HD13 LEU 94 81.974 2.752 -8.068 761 HD21 LEU 94 HD21 LEU 94 84.362 3.639 -7.175 762 HD22 LEU 94 HD22 LEU 94 84.421 2.670 -5.704 763 HD23 LEU 94 HD23 LEU 94 84.355 4.428 -5.597 764 H ILE 95 H ILE 95 79.941 6.169 -4.651 765 HA ILE 95 HA ILE 95 79.716 4.045 -2.764 766 HB ILE 95 HB ILE 95 79.366 7.021 -2.642 767 HG12 ILE 95 HG12 ILE 95 81.062 5.450 -0.764 768 HG13 ILE 95 HG13 ILE 95 81.543 5.392 -2.453 769 HG21 ILE 95 HG21 ILE 95 78.410 4.956 -0.681 770 HG22 ILE 95 HG22 ILE 95 77.688 6.507 -1.106 771 HG23 ILE 95 HG23 ILE 95 79.106 6.452 -0.060 772 HD11 ILE 95 HD11 ILE 95 82.209 7.565 -2.475 773 HD12 ILE 95 HD12 ILE 95 82.320 7.349 -0.733 774 HD13 ILE 95 HD13 ILE 95 80.889 8.097 -1.436 775 H ALA 96 H ALA 96 77.491 5.916 -4.690 776 HA ALA 96 HA ALA 96 75.104 5.315 -3.305 777 HB1 ALA 96 HB1 ALA 96 75.346 5.597 -6.301 778 HB2 ALA 96 HB2 ALA 96 75.428 6.983 -5.214 779 HB3 ALA 96 HB3 ALA 96 73.966 6.000 -5.280 780 H TYR 97 H TYR 97 77.015 3.591 -5.701 781 HA TYR 97 HA TYR 97 75.126 1.461 -6.058 782 HB2 TYR 97 HB2 TYR 97 76.732 1.936 -7.821 783 HB3 TYR 97 HB3 TYR 97 78.076 1.647 -6.714 784 HD1 TYR 97 HD1 TYR 97 75.097 0.009 -8.264 785 HD2 TYR 97 HD2 TYR 97 78.910 -0.541 -6.369 786 HE1 TYR 97 HE1 TYR 97 75.004 -2.413 -8.783 787 HE2 TYR 97 HE2 TYR 97 78.817 -2.965 -6.887 788 HH TYR 97 HH TYR 97 76.065 -4.354 -8.682 789 H LEU 98 H LEU 98 78.264 1.733 -4.365 790 HA LEU 98 HA LEU 98 78.415 -0.771 -3.235 791 HB2 LEU 98 HB2 LEU 98 79.278 1.941 -2.280 792 HB3 LEU 98 HB3 LEU 98 79.499 0.540 -1.239 793 HG LEU 98 HG LEU 98 80.419 0.391 -4.100 794 HD11 LEU 98 HD11 LEU 98 81.320 2.513 -2.851 795 HD12 LEU 98 HD12 LEU 98 82.454 1.461 -3.690 796 HD13 LEU 98 HD13 LEU 98 82.275 1.345 -1.941 797 HD21 LEU 98 HD21 LEU 98 81.935 -1.242 -3.207 798 HD22 LEU 98 HD22 LEU 98 80.367 -1.570 -2.471 799 HD23 LEU 98 HD23 LEU 98 81.611 -0.723 -1.554 800 H LYS 99 H LYS 99 76.179 1.777 -2.531 801 HA LYS 99 HA LYS 99 75.401 0.755 0.060 802 HB2 LYS 99 HB2 LYS 99 74.442 2.952 -1.744 803 HB3 LYS 99 HB3 LYS 99 73.420 2.411 -0.413 804 HG2 LYS 99 HG2 LYS 99 75.469 2.720 1.096 805 HG3 LYS 99 HG3 LYS 99 76.210 3.574 -0.256 806 HD2 LYS 99 HD2 LYS 99 73.505 4.314 0.892 807 HD3 LYS 99 HD3 LYS 99 75.014 5.055 1.421 808 HE2 LYS 99 HE2 LYS 99 75.450 5.628 -1.022 809 HE3 LYS 99 HE3 LYS 99 73.783 5.146 -1.341 810 HZ1 LYS 99 HZ1 LYS 99 74.300 7.030 0.841 811 HZ2 LYS 99 HZ2 LYS 99 72.948 6.899 -0.179 812 HZ3 LYS 99 HZ3 LYS 99 74.381 7.607 -0.752 813 H LYS 100 H LYS 100 73.896 0.857 -3.178 814 HA LYS 100 HA LYS 100 71.654 -0.745 -2.366 815 HB2 LYS 100 HB2 LYS 100 72.712 0.193 -5.028 816 HB3 LYS 100 HB3 LYS 100 71.372 -0.946 -4.933 817 HG2 LYS 100 HG2 LYS 100 70.237 1.088 -4.978 818 HG3 LYS 100 HG3 LYS 100 70.368 0.815 -3.242 819 HD2 LYS 100 HD2 LYS 100 72.431 2.206 -3.207 820 HD3 LYS 100 HD3 LYS 100 72.217 2.529 -4.927 821 HE2 LYS 100 HE2 LYS 100 70.692 3.583 -2.597 822 HE3 LYS 100 HE3 LYS 100 71.105 4.372 -4.118 823 HZ1 LYS 100 HZ1 LYS 100 68.754 3.953 -4.026 824 HZ2 LYS 100 HZ2 LYS 100 69.012 2.304 -3.714 825 HZ3 LYS 100 HZ3 LYS 100 69.444 2.965 -5.218 826 H ALA 101 H ALA 101 74.865 -1.426 -3.398 827 HA ALA 101 HA ALA 101 74.271 -4.139 -4.262 828 HB1 ALA 101 HB1 ALA 101 76.923 -2.736 -3.855 829 HB2 ALA 101 HB2 ALA 101 76.046 -2.851 -5.381 830 HB3 ALA 101 HB3 ALA 101 76.693 -4.307 -4.623 831 H THR 102 H THR 102 75.478 -2.468 -1.428 832 HA THR 102 HA THR 102 76.247 -4.964 -0.119 833 HB THR 102 HB THR 102 76.856 -3.468 1.773 834 HG1 THR 102 HG1 THR 102 75.479 -1.696 0.154 835 HG21 THR 102 HG21 THR 102 77.876 -2.953 -1.011 836 HG22 THR 102 HG22 THR 102 78.642 -3.845 0.302 837 HG23 THR 102 HG23 THR 102 78.557 -2.085 0.365 838 H ASN 103 H ASN 103 73.444 -3.323 -0.687 839 HA ASN 103 HA ASN 103 72.190 -3.938 1.894 840 HB2 ASN 103 HB2 ASN 103 71.433 -2.307 -0.508 841 HB3 ASN 103 HB1 ASN 103 70.194 -2.837 0.621 842 HD21 ASN 103 HD21 ASN 103 73.435 -2.192 1.802 843 HD22 ASN 103 HD22 ASN 103 73.049 -0.755 2.616 844 H GLU 104 H GLU 104 72.419 -5.067 -1.371 845 HA GLU 104 HA GLU 104 70.027 -6.642 -1.389 846 HB2 GLU 104 HB2 GLU 104 72.528 -6.625 -3.077 847 HB3 GLU 104 HB3 GLU 104 71.237 -7.801 -3.329 848 HG2 GLU 104 HG2 GLU 104 70.682 -4.835 -3.217 849 HG3 GLU 104 HG3 GLU 104 71.129 -5.638 -4.721 850 HHA HEC 201 HA HEC 105 89.314 -3.407 3.238 851 HHB HEC 201 HB HEC 105 85.579 0.138 -0.431 852 HHC HEC 201 HC HEC 105 88.805 -1.770 -5.533 853 HHD HEC 201 HD HEC 105 92.148 -5.737 -1.916 854 HMA1 HEC 201 HMA1 HEC 105 84.646 -0.056 1.576 855 HMA2 HEC 201 HMA2 HEC 105 85.805 0.998 2.387 856 HMA3 HEC 201 HMA3 HEC 105 85.085 -0.359 3.253 857 HAA1 HEC 201 HAA1 HEC 105 86.833 -0.861 4.509 858 HAA2 HEC 201 HAA2 HEC 105 88.377 -1.691 4.485 859 HBA1 HEC 201 HBA1 HEC 105 87.335 -3.831 4.449 860 HBA2 HEC 201 HBA2 HEC 105 85.753 -3.133 4.120 861 HMB1 HEC 201 HMB1 HEC 105 84.839 1.241 -3.973 862 HMB2 HEC 201 HMB2 HEC 105 85.177 1.631 -2.290 863 HMB3 HEC 201 HMB3 HEC 105 84.154 0.253 -2.691 864 HAB HEC 201 HAB HEC 105 87.303 -0.574 -6.203 865 HBB1 HEC 201 HBB1 HEC 105 87.973 1.641 -5.998 866 HBB2 HEC 201 HBB2 HEC 105 86.323 1.841 -6.579 867 HBB3 HEC 201 HBB3 HEC 105 86.686 2.037 -4.866 868 HMC1 HEC 201 HMC1 HEC 105 91.306 -4.287 -6.844 869 HMC2 HEC 201 HMC2 HEC 105 91.197 -2.541 -6.628 870 HMC3 HEC 201 HMC3 HEC 105 89.734 -3.493 -6.865 871 HAC HEC 201 HAC HEC 105 92.615 -6.166 -3.834 872 HBC1 HEC 201 HBC1 HEC 105 93.480 -3.931 -5.306 873 HBC2 HEC 201 HBC2 HEC 105 93.365 -5.236 -6.485 874 HBC3 HEC 201 HBC3 HEC 105 94.370 -5.431 -5.051 875 HMD1 HEC 201 HMD1 HEC 105 93.187 -6.516 1.606 876 HMD2 HEC 201 HMD2 HEC 105 93.370 -6.265 -0.125 877 HMD3 HEC 201 HMD3 HEC 105 92.210 -7.450 0.476 878 HAD1 HEC 201 HAD1 HEC 105 91.847 -6.208 3.260 879 HAD2 HEC 201 HAD2 HEC 105 90.348 -5.442 3.744 880 HBD1 HEC 201 HBD1 HEC 105 91.484 -3.302 4.022 881 HBD2 HEC 201 HBD2 HEC 105 92.992 -4.004 3.447 882 H1 HOH 301 H2 HOH 200 83.088 2.726 -0.802 883 H2 HOH 301 H1 HOH 200 82.562 4.137 -0.953 884 H1 HOH 302 H2 HOH 201 85.234 5.189 5.533 885 H2 HOH 302 H1 HOH 201 86.373 6.187 5.567 886 H1 HOH 303 H2 HOH 202 84.005 -6.512 5.527 887 H2 HOH 303 H1 HOH 202 82.519 -6.560 5.806 888 H1 HOH 304 H2 HOH 203 83.819 -10.341 0.950 889 H2 HOH 304 H1 HOH 203 82.698 -10.786 0.035 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 72.960 11.118 -6.778 2 H2 GLY 1 H2 GLY 1 74.395 11.458 -7.620 3 H3 GLY 1 H3 GLY 1 74.358 11.558 -5.925 4 HA2 GLY 1 HA2 GLY 1 75.466 9.529 -6.712 5 HA3 GLY 1 HA3 GLY 1 74.043 9.201 -5.723 6 H ASP 2 H ASP 2 75.555 8.595 -8.672 7 HA ASP 2 HA ASP 2 73.043 7.721 -9.961 8 HB2 ASP 2 HB2 ASP 2 75.789 8.251 -11.107 9 HB3 ASP 2 HB1 ASP 2 74.436 7.590 -12.024 10 H VAL 3 H VAL 3 72.858 5.812 -8.708 11 HA VAL 3 HA VAL 3 74.732 3.861 -8.234 12 HB VAL 3 HB VAL 3 72.505 3.675 -7.330 13 HG11 VAL 3 HG11 VAL 3 70.599 3.085 -8.872 14 HG12 VAL 3 HG12 VAL 3 71.660 3.452 -10.232 15 HG13 VAL 3 HG13 VAL 3 71.221 4.721 -9.089 16 HG21 VAL 3 HG21 VAL 3 73.839 1.571 -7.944 17 HG22 VAL 3 HG22 VAL 3 72.758 1.417 -9.328 18 HG23 VAL 3 HG23 VAL 3 72.109 1.351 -7.690 19 H GLU 4 H GLU 4 73.470 4.887 -11.260 20 HA GLU 4 HA GLU 4 73.934 2.454 -12.711 21 HB2 GLU 4 HB2 GLU 4 73.576 5.319 -13.611 22 HB3 GLU 4 HB3 GLU 4 73.728 3.954 -14.719 23 HG2 GLU 4 HG2 GLU 4 71.641 4.103 -12.529 24 HG3 GLU 4 HG3 GLU 4 71.344 4.607 -14.192 25 H LYS 5 H LYS 5 75.652 5.594 -12.743 26 HA LYS 5 HA LYS 5 77.910 4.489 -14.123 27 HB2 LYS 5 HB2 LYS 5 77.264 7.120 -12.833 28 HB3 LYS 5 HB3 LYS 5 78.945 6.753 -13.217 29 HG2 LYS 5 HG2 LYS 5 78.548 6.665 -15.514 30 HG3 LYS 5 HG3 LYS 5 76.834 6.304 -15.310 31 HD2 LYS 5 HD2 LYS 5 77.884 8.939 -14.321 32 HD3 LYS 5 HD3 LYS 5 77.609 8.727 -16.049 33 HE2 LYS 5 HE2 LYS 5 75.304 8.391 -15.775 34 HE3 LYS 5 HE3 LYS 5 75.472 7.940 -14.079 35 HZ1 LYS 5 HZ1 LYS 5 74.654 10.090 -13.997 36 HZ2 LYS 5 HZ2 LYS 5 75.607 10.623 -15.298 37 HZ3 LYS 5 HZ3 LYS 5 76.322 10.319 -13.787 38 H GLY 6 H GLY 6 76.877 4.602 -10.865 39 HA2 GLY 6 HA2 GLY 6 79.459 4.382 -9.624 40 HA3 GLY 6 HA3 GLY 6 77.904 4.014 -8.872 41 H LYS 7 H LYS 7 77.068 2.234 -10.981 42 HA LYS 7 HA LYS 7 78.150 -0.214 -10.001 43 HB2 LYS 7 HB2 LYS 7 75.814 0.144 -10.930 44 HB3 LYS 7 HB3 LYS 7 76.545 0.178 -12.533 45 HG2 LYS 7 HG2 LYS 7 77.674 -2.088 -11.649 46 HG3 LYS 7 HG3 LYS 7 76.232 -2.113 -10.638 47 HD2 LYS 7 HD2 LYS 7 75.458 -3.234 -12.527 48 HD3 LYS 7 HD3 LYS 7 74.994 -1.578 -12.913 49 HE2 LYS 7 HE2 LYS 7 77.301 -1.393 -14.061 50 HE3 LYS 7 HE3 LYS 7 77.350 -3.153 -13.958 51 HZ1 LYS 7 HZ1 LYS 7 75.796 -3.372 -15.535 52 HZ2 LYS 7 HZ2 LYS 7 76.220 -1.784 -15.965 53 HZ3 LYS 7 HZ3 LYS 7 74.872 -2.066 -14.971 54 H LYS 8 H LYS 8 78.523 1.640 -13.019 55 HA LYS 8 HA LYS 8 80.171 -0.199 -14.372 56 HB2 LYS 8 HB2 LYS 8 79.165 1.667 -15.542 57 HB3 LYS 8 HB3 LYS 8 80.050 2.820 -14.546 58 HG2 LYS 8 HG2 LYS 8 81.748 0.807 -15.905 59 HG3 LYS 8 HG3 LYS 8 80.914 1.914 -16.991 60 HD2 LYS 8 HD2 LYS 8 82.351 3.006 -14.580 61 HD3 LYS 8 HD3 LYS 8 83.265 2.581 -16.026 62 HE2 LYS 8 HE2 LYS 8 80.895 4.472 -15.952 63 HE3 LYS 8 HE3 LYS 8 82.585 4.959 -16.065 64 HZ1 LYS 8 HZ1 LYS 8 82.216 4.850 -18.254 65 HZ2 LYS 8 HZ2 LYS 8 80.838 3.872 -18.091 66 HZ3 LYS 8 HZ3 LYS 8 82.387 3.174 -18.057 67 H ILE 9 H ILE 9 80.977 2.498 -12.211 68 HA ILE 9 HA ILE 9 83.796 2.211 -12.423 69 HB ILE 9 HB ILE 9 82.117 3.446 -10.230 70 HG12 ILE 9 HG12 ILE 9 83.616 4.857 -12.446 71 HG13 ILE 9 HG13 ILE 9 81.946 4.328 -12.656 72 HG21 ILE 9 HG21 ILE 9 85.071 3.576 -10.881 73 HG22 ILE 9 HG22 ILE 9 84.326 3.022 -9.382 74 HG23 ILE 9 HG23 ILE 9 84.264 4.729 -9.818 75 HD11 ILE 9 HD11 ILE 9 81.286 5.625 -10.654 76 HD12 ILE 9 HD12 ILE 9 82.016 6.663 -11.880 77 HD13 ILE 9 HD13 ILE 9 82.953 6.173 -10.469 78 H PHE 10 H PHE 10 81.371 0.550 -10.598 79 HA PHE 10 HA PHE 10 83.206 -0.469 -8.607 80 HB2 PHE 10 HB2 PHE 10 81.062 -0.316 -7.733 81 HB3 PHE 10 HB1 PHE 10 80.300 -0.854 -9.230 82 HD1 PHE 10 HD1 PHE 10 80.243 -3.229 -9.838 83 HD2 PHE 10 HD2 PHE 10 81.979 -1.917 -6.141 84 HE1 PHE 10 HE1 PHE 10 80.239 -5.565 -9.015 85 HE2 PHE 10 HE2 PHE 10 81.979 -4.256 -5.313 86 HZ PHE 10 HZ PHE 10 81.110 -6.081 -6.755 87 H VAL 11 H VAL 11 81.363 -1.940 -11.296 88 HA VAL 11 HA VAL 11 82.349 -4.531 -11.073 89 HB VAL 11 HB VAL 11 81.779 -4.779 -13.471 90 HG11 VAL 11 HG11 VAL 11 79.442 -4.424 -13.187 91 HG12 VAL 11 HG12 VAL 11 79.707 -3.092 -12.065 92 HG13 VAL 11 HG13 VAL 11 80.070 -4.745 -11.572 93 HG21 VAL 11 HG21 VAL 11 80.834 -2.772 -14.625 94 HG22 VAL 11 HG22 VAL 11 82.557 -2.612 -14.278 95 HG23 VAL 11 HG23 VAL 11 81.371 -1.784 -13.269 96 H GLN 12 H GLN 12 83.809 -1.694 -12.506 97 HA GLN 12 HA GLN 12 85.985 -3.315 -13.623 98 HB2 GLN 12 HB2 GLN 12 86.663 -1.342 -14.785 99 HB3 GLN 12 HB1 GLN 12 84.911 -1.475 -14.934 100 HG2 GLN 12 HG2 GLN 12 84.739 0.063 -12.912 101 HG3 GLN 12 HG1 GLN 12 86.472 0.346 -13.090 102 HE21 GLN 12 HE21 GLN 12 85.591 -0.175 -16.182 103 HE22 GLN 12 HE22 GLN 12 85.186 1.400 -16.658 104 H LYS 13 H LYS 13 85.377 -1.171 -10.918 105 HA LYS 13 HA LYS 13 88.268 -1.010 -10.394 106 HB2 LYS 13 HB2 LYS 13 86.683 1.022 -10.384 107 HB3 LYS 13 HB3 LYS 13 86.177 0.434 -8.800 108 HG2 LYS 13 HG2 LYS 13 88.416 0.601 -7.936 109 HG3 LYS 13 HG3 LYS 13 89.080 0.898 -9.541 110 HD2 LYS 13 HD2 LYS 13 86.972 2.770 -8.524 111 HD3 LYS 13 HD3 LYS 13 88.600 2.912 -7.863 112 HE2 LYS 13 HE2 LYS 13 89.538 3.235 -10.071 113 HE3 LYS 13 HE3 LYS 13 87.986 2.885 -10.831 114 HZ1 LYS 13 HZ1 LYS 13 87.986 5.009 -8.850 115 HZ2 LYS 13 HZ2 LYS 13 87.185 4.913 -10.346 116 HZ3 LYS 13 HZ3 LYS 13 88.828 5.343 -10.284 117 H CYS 14 H CYS 14 85.397 -1.434 -8.255 118 HA CYS 14 HA CYS 14 87.083 -2.695 -6.280 119 HB2 CYS 14 HB2 CYS 14 84.108 -2.640 -6.068 120 HB3 CYS 14 HB1 CYS 14 85.315 -2.490 -4.796 121 H ALA 15 H ALA 15 84.582 -3.891 -8.493 122 HA ALA 15 HA ALA 15 84.093 -6.368 -7.418 123 HB1 ALA 15 HB1 ALA 15 84.315 -5.423 -10.254 124 HB2 ALA 15 HB2 ALA 15 82.882 -5.917 -9.354 125 HB3 ALA 15 HB3 ALA 15 84.029 -7.131 -9.918 126 H GLN 16 H GLN 16 87.030 -5.223 -8.887 127 HA GLN 16 HA GLN 16 88.339 -7.508 -9.656 128 HB2 GLN 16 HB2 GLN 16 89.346 -5.035 -8.267 129 HB3 GLN 16 HB1 GLN 16 90.440 -6.323 -8.769 130 HG2 GLN 16 HG2 GLN 16 89.701 -6.107 -11.080 131 HG3 GLN 16 HG1 GLN 16 88.495 -4.909 -10.615 132 HE21 GLN 16 HE21 GLN 16 90.668 -4.411 -12.510 133 HE22 GLN 16 HE22 GLN 16 91.652 -3.206 -11.829 134 H CYS 17 H CYS 17 88.567 -6.129 -6.344 135 HA CYS 17 HA CYS 17 89.001 -8.890 -5.359 136 HB2 CYS 17 HB2 CYS 17 90.209 -6.711 -3.772 137 HB3 CYS 17 HB1 CYS 17 90.857 -8.291 -4.194 138 H HIS 18 H HSD 18 86.439 -8.069 -5.393 139 HA HIS 18 HA HSD 18 85.823 -7.929 -2.560 140 HB2 HIS 18 HB2 HSD 18 85.245 -5.643 -4.417 141 HB3 HIS 18 HB1 HSD 18 84.142 -5.993 -3.090 142 HD1 HIS 18 HD1 HSD 18 85.058 -5.707 -0.656 143 HD2 HIS 18 HD2 HSD 18 87.758 -4.609 -3.632 144 HE1 HIS 18 HE1 HSD 18 86.901 -4.407 0.496 145 H THR 19 H THR 19 83.225 -7.603 -2.463 146 HA THR 19 HA THR 19 81.971 -9.263 -4.547 147 HB THR 19 HB THR 19 81.092 -9.900 -1.811 148 HG1 THR 19 HG1 THR 19 83.347 -11.270 -2.256 149 HG21 THR 19 HG21 THR 19 80.586 -11.061 -4.068 150 HG22 THR 19 HG22 THR 19 80.959 -12.083 -2.679 151 HG23 THR 19 HG23 THR 19 82.193 -11.767 -3.901 152 H VAL 20 H VAL 20 81.540 -7.273 -1.657 153 HA VAL 20 HA VAL 20 79.791 -5.982 -0.920 154 HB VAL 20 HB VAL 20 79.224 -4.211 -2.425 155 HG11 VAL 20 HG11 VAL 20 81.608 -4.442 -1.618 156 HG12 VAL 20 HG12 VAL 20 81.428 -3.503 -3.097 157 HG13 VAL 20 HG13 VAL 20 81.996 -5.168 -3.174 158 HG21 VAL 20 HG21 VAL 20 79.502 -4.326 -4.791 159 HG22 VAL 20 HG22 VAL 20 78.680 -5.819 -4.345 160 HG23 VAL 20 HG23 VAL 20 80.409 -5.830 -4.681 161 H GLU 21 H GLU 21 79.043 -8.708 -2.104 162 HA GLU 21 HA GLU 21 76.225 -8.076 -2.746 163 HB2 GLU 21 HB2 GLU 21 76.084 -10.076 -3.964 164 HB3 GLU 21 HB3 GLU 21 77.684 -9.458 -4.368 165 HG2 GLU 21 HG2 GLU 21 78.536 -10.900 -2.408 166 HG3 GLU 21 HG3 GLU 21 76.963 -11.696 -2.482 167 H LYS 22 H LYS 22 74.901 -8.241 -1.083 168 HA LYS 22 HA LYS 22 75.500 -9.318 1.410 169 HB2 LYS 22 HB2 LYS 22 73.173 -8.221 0.068 170 HB3 LYS 22 HB3 LYS 22 72.708 -9.557 1.118 171 HG2 LYS 22 HG2 LYS 22 74.542 -7.346 2.069 172 HG3 LYS 22 HG3 LYS 22 72.789 -7.213 2.180 173 HD2 LYS 22 HD2 LYS 22 72.856 -9.494 3.372 174 HD3 LYS 22 HD3 LYS 22 74.592 -9.226 3.530 175 HE2 LYS 22 HE2 LYS 22 74.148 -7.078 4.676 176 HE3 LYS 22 HE3 LYS 22 72.415 -7.374 4.542 177 HZ1 LYS 22 HZ1 LYS 22 73.218 -9.649 5.653 178 HZ2 LYS 22 HZ2 LYS 22 72.720 -8.297 6.554 179 HZ3 LYS 22 HZ3 LYS 22 74.374 -8.592 6.305 180 H GLY 23 H GLY 23 75.529 -11.306 2.248 181 HA2 GLY 23 HA2 GLY 23 75.138 -13.566 2.521 182 HA3 GLY 23 HA3 GLY 23 73.904 -13.459 1.272 183 H GLY 24 H GLY 24 77.186 -12.379 0.706 184 HA2 GLY 24 HA2 GLY 24 77.515 -14.572 -1.250 185 HA3 GLY 24 HA3 GLY 24 78.318 -13.008 -1.327 186 H LYS 25 H LYS 25 80.406 -13.694 -1.357 187 HA LYS 25 HA LYS 25 81.467 -14.709 1.172 188 HB2 LYS 25 HB2 LYS 25 82.901 -16.360 -0.111 189 HB3 LYS 25 HB3 LYS 25 81.195 -16.781 0.020 190 HG2 LYS 25 HG2 LYS 25 81.961 -15.143 -2.349 191 HG3 LYS 25 HG3 LYS 25 82.537 -16.807 -2.335 192 HD2 LYS 25 HD2 LYS 25 80.295 -17.661 -2.102 193 HD3 LYS 25 HD3 LYS 25 79.648 -16.042 -1.837 194 HE2 LYS 25 HE2 LYS 25 79.204 -16.654 -4.138 195 HE3 LYS 25 HE3 LYS 25 80.461 -15.418 -4.136 196 HZ1 LYS 25 HZ1 LYS 25 82.117 -17.208 -4.268 197 HZ2 LYS 25 HZ2 LYS 25 81.075 -17.193 -5.609 198 HZ3 LYS 25 HZ3 LYS 25 80.868 -18.349 -4.381 199 H HIS 26 H HIS 26 83.362 -13.779 1.678 200 HA HIS 26 HA HIS 26 84.350 -11.609 0.162 201 HB2 HIS 26 HB2 HIS 26 86.438 -12.154 1.807 202 HB3 HIS 26 HB1 HIS 26 84.988 -11.299 2.331 203 HD1 HIS 26 HD1 HIS 26 86.384 -14.839 2.218 204 HD2 HIS 26 HD2 HIS 26 83.551 -12.608 4.311 205 HE1 HIS 26 HE1 HIS 26 85.531 -16.329 4.081 206 HE2 HIS 26 HE2 HIS 26 83.803 -14.982 5.366 207 H LYS 27 H LYS 27 85.783 -11.488 -1.439 208 HA LYS 27 HA LYS 27 87.443 -13.866 -2.051 209 HB2 LYS 27 HB2 LYS 27 85.580 -13.650 -3.659 210 HB3 LYS 27 HB3 LYS 27 86.100 -12.006 -4.029 211 HG2 LYS 27 HG2 LYS 27 88.205 -12.792 -4.909 212 HG3 LYS 27 HG3 LYS 27 87.881 -14.434 -4.354 213 HD2 LYS 27 HD2 LYS 27 87.429 -14.206 -6.774 214 HD3 LYS 27 HD3 LYS 27 85.956 -14.583 -5.882 215 HE2 LYS 27 HE2 LYS 27 85.123 -12.394 -6.080 216 HE3 LYS 27 HE3 LYS 27 86.715 -11.718 -6.425 217 HZ1 LYS 27 HZ1 LYS 27 86.360 -12.002 -8.574 218 HZ2 LYS 27 HZ2 LYS 27 84.793 -12.573 -8.244 219 HZ3 LYS 27 HZ3 LYS 27 86.092 -13.663 -8.356 220 H THR 28 H THR 28 89.548 -13.424 -1.950 221 HA THR 28 HA THR 28 91.488 -12.187 -1.713 222 HB THR 28 HB THR 28 90.511 -10.595 -4.072 223 HG1 THR 28 HG1 THR 28 91.342 -13.304 -4.019 224 HG21 THR 28 HG21 THR 28 92.748 -10.105 -3.223 225 HG22 THR 28 HG22 THR 28 92.879 -10.934 -4.773 226 HG23 THR 28 HG23 THR 28 93.169 -11.816 -3.274 227 H GLY 29 H GLY 29 89.066 -11.176 -0.345 228 HA2 GLY 29 HA2 GLY 29 90.033 -8.908 0.875 229 HA3 GLY 29 HA3 GLY 29 89.063 -8.315 -0.470 230 HA PRO 30 HA PRO 30 86.423 -9.716 3.272 231 HB2 PRO 30 HB2 PRO 30 86.027 -7.321 4.535 232 HB3 PRO 30 HB1 PRO 30 87.357 -8.423 4.940 233 HG2 PRO 30 HG2 PRO 30 87.387 -5.962 3.261 234 HG3 PRO 30 HG1 PRO 30 88.577 -6.539 4.440 235 HD2 PRO 30 HD2 PRO 30 88.902 -6.839 1.737 236 HD3 PRO 30 HD1 PRO 30 89.584 -7.972 2.925 237 H ASN 31 H ASN 31 84.145 -9.192 3.561 238 HA ASN 31 HA ASN 31 82.948 -8.139 1.136 239 HB2 ASN 31 HB2 ASN 31 80.906 -9.025 1.959 240 HB3 ASN 31 HB1 ASN 31 82.138 -10.184 2.454 241 HD21 ASN 31 HD21 ASN 31 82.616 -10.374 4.731 242 HD22 ASN 31 HD22 ASN 31 81.679 -9.600 5.915 243 H LEU 32 H LEU 32 81.255 -6.478 1.203 244 HA LEU 32 HA LEU 32 81.751 -4.472 3.325 245 HB2 LEU 32 HB2 LEU 32 80.806 -3.886 0.514 246 HB3 LEU 32 HB3 LEU 32 81.335 -2.729 1.728 247 HG LEU 32 HG LEU 32 83.020 -4.727 0.203 248 HD11 LEU 32 HD11 LEU 32 82.689 -2.619 -0.936 249 HD12 LEU 32 HD12 LEU 32 84.319 -2.609 -0.269 250 HD13 LEU 32 HD13 LEU 32 83.032 -1.712 0.535 251 HD21 LEU 32 HD21 LEU 32 83.539 -3.373 2.827 252 HD22 LEU 32 HD22 LEU 32 84.870 -3.508 1.686 253 HD23 LEU 32 HD23 LEU 32 84.060 -4.956 2.266 254 H HIS 33 H HIS 33 79.825 -6.591 3.523 255 HA HIS 33 HA HIS 33 77.210 -5.719 2.830 256 HB2 HIS 33 HB2 HIS 33 78.055 -7.570 5.074 257 HB3 HIS 33 HB1 HIS 33 76.438 -7.441 4.381 258 HD1 HIS 33 HD1 HIS 33 78.347 -10.033 4.301 259 HD2 HIS 33 HD2 HIS 33 77.667 -7.365 1.170 260 HE1 HIS 33 HE1 HIS 33 78.864 -11.289 2.164 261 HE2 HIS 33 HE2 HIS 33 78.453 -9.678 0.246 262 H GLY 34 H GLY 34 75.726 -4.488 3.942 263 HA2 GLY 34 HA2 GLY 34 75.156 -2.677 5.296 264 HA3 GLY 34 HA3 GLY 34 75.500 -3.849 6.568 265 H LEU 35 H LEU 35 77.969 -2.807 4.382 266 HA LEU 35 HA LEU 35 79.950 -2.227 6.136 267 HB2 LEU 35 HB2 LEU 35 80.325 -2.251 3.753 268 HB3 LEU 35 HB3 LEU 35 79.283 -0.852 3.527 269 HG LEU 35 HG LEU 35 81.016 0.259 5.239 270 HD11 LEU 35 HD11 LEU 35 82.199 -2.092 5.256 271 HD12 LEU 35 HD12 LEU 35 83.173 -0.623 5.207 272 HD13 LEU 35 HD13 LEU 35 82.884 -1.534 3.730 273 HD21 LEU 35 HD21 LEU 35 81.758 -0.181 2.338 274 HD22 LEU 35 HD22 LEU 35 82.158 1.211 3.344 275 HD23 LEU 35 HD23 LEU 35 80.487 0.925 2.858 276 H PHE 36 H PHE 36 77.785 0.242 4.772 277 HA PHE 36 HA PHE 36 78.670 2.400 6.285 278 HB2 PHE 36 HB2 PHE 36 75.805 2.002 5.414 279 HB3 PHE 36 HB1 PHE 36 76.672 3.522 5.627 280 HD1 PHE 36 HD2 PHE 36 76.540 0.410 3.573 281 HD2 PHE 36 HD1 PHE 36 78.011 4.439 3.869 282 HE1 PHE 36 HE2 PHE 36 77.328 0.299 1.228 283 HE2 PHE 36 HE1 PHE 36 78.786 4.326 1.526 284 HZ PHE 36 HZ PHE 36 78.447 2.258 0.201 285 H GLY 37 H GLY 37 79.032 1.774 8.452 286 HA2 GLY 37 HA2 GLY 37 77.509 2.498 10.449 287 HA3 GLY 37 HA3 GLY 37 76.664 1.017 10.030 288 H ARG 38 H ARG 38 79.348 -0.242 9.296 289 HA ARG 38 HA ARG 38 79.915 -1.187 11.998 290 HB2 ARG 38 HB2 ARG 38 80.339 -2.182 9.256 291 HB3 ARG 38 HB3 ARG 38 81.625 -2.581 10.394 292 HG2 ARG 38 HG2 ARG 38 79.831 -3.429 11.971 293 HG3 ARG 38 HG3 ARG 38 78.682 -3.240 10.644 294 HD2 ARG 38 HD2 ARG 38 81.217 -4.896 10.501 295 HD3 ARG 38 HD3 ARG 38 79.612 -5.556 10.802 296 HE ARG 38 HE ARG 38 79.390 -4.078 8.468 297 HH11 ARG 38 HH21 ARG 38 81.258 -6.746 9.645 298 HH12 ARG 38 HH22 ARG 38 81.432 -7.484 8.087 299 HH21 ARG 38 HH11 ARG 38 79.620 -5.043 6.430 300 HH22 ARG 38 HH12 ARG 38 80.498 -6.527 6.272 301 H LYS 39 H LYS 39 82.061 -1.426 12.822 302 HA LYS 39 HA LYS 39 83.679 0.944 12.417 303 HB2 LYS 39 HB2 LYS 39 83.194 0.081 14.679 304 HB3 LYS 39 HB3 LYS 39 84.035 -1.411 14.284 305 HG2 LYS 39 HG2 LYS 39 85.682 -0.186 15.414 306 HG3 LYS 39 HG3 LYS 39 86.060 0.146 13.733 307 HD2 LYS 39 HD2 LYS 39 86.118 2.236 14.970 308 HD3 LYS 39 HD3 LYS 39 84.724 2.260 13.894 309 HE2 LYS 39 HE2 LYS 39 84.231 1.145 16.606 310 HE3 LYS 39 HE3 LYS 39 84.569 2.873 16.534 311 HZ1 LYS 39 HZ1 LYS 39 82.598 3.272 15.627 312 HZ2 LYS 39 HZ2 LYS 39 82.172 1.675 16.021 313 HZ3 LYS 39 HZ3 LYS 39 82.775 2.040 14.476 314 H THR 40 H THR 40 85.894 0.947 11.877 315 HA THR 40 HA THR 40 86.696 -0.509 9.690 316 HB THR 40 HB THR 40 89.040 0.161 10.364 317 HG1 THR 40 HG1 THR 40 87.753 1.579 12.422 318 HG21 THR 40 HG21 THR 40 86.722 2.070 10.193 319 HG22 THR 40 HG22 THR 40 87.944 1.701 8.975 320 HG23 THR 40 HG23 THR 40 88.366 2.680 10.380 321 H GLY 41 H GLY 41 87.818 -2.344 9.280 322 HA2 GLY 41 HA2 GLY 41 88.422 -4.537 9.608 323 HA3 GLY 41 HA3 GLY 41 89.374 -3.886 10.937 324 H GLN 42 H GLN 42 85.874 -4.303 10.402 325 HA GLN 42 HA GLN 42 85.743 -5.684 13.023 326 HB2 GLN 42 HB2 GLN 42 84.500 -3.572 12.980 327 HB3 GLN 42 HB1 GLN 42 83.586 -4.129 11.577 328 HG2 GLN 42 HG2 GLN 42 82.458 -5.785 12.809 329 HG3 GLN 42 HG1 GLN 42 83.655 -5.770 14.102 330 HE21 GLN 42 HE21 GLN 42 81.694 -3.169 12.537 331 HE22 GLN 42 HE22 GLN 42 81.090 -2.555 14.000 332 H ALA 43 H ALA 43 85.198 -6.003 9.638 333 HA ALA 43 HA ALA 43 83.220 -8.037 9.721 334 HB1 ALA 43 HB1 ALA 43 83.264 -7.633 7.518 335 HB2 ALA 43 HB2 ALA 43 84.863 -8.362 7.411 336 HB3 ALA 43 HB3 ALA 43 84.700 -6.634 7.728 337 HA PRO 44 HA PRO 44 86.105 -11.206 11.104 338 HB2 PRO 44 HB2 PRO 44 84.306 -13.185 11.516 339 HB3 PRO 44 HB1 PRO 44 84.431 -11.788 12.605 340 HG2 PRO 44 HG2 PRO 44 82.458 -12.322 10.435 341 HG3 PRO 44 HG1 PRO 44 82.203 -11.622 12.043 342 HD2 PRO 44 HD2 PRO 44 82.411 -10.127 9.726 343 HD3 PRO 44 HD1 PRO 44 82.772 -9.502 11.352 344 H GLY 45 H GLY 45 87.369 -11.881 9.415 345 HA2 GLY 45 HA2 GLY 45 86.910 -14.230 8.037 346 HA3 GLY 45 HA3 GLY 45 86.327 -12.952 6.977 347 H PHE 46 H PHE 46 87.839 -11.280 6.328 348 HA PHE 46 HA PHE 46 90.390 -12.352 5.622 349 HB2 PHE 46 HB2 PHE 46 89.047 -10.690 4.268 350 HB3 PHE 46 HB1 PHE 46 89.527 -9.461 5.440 351 HD1 PHE 46 HD2 PHE 46 90.749 -11.822 2.863 352 HD2 PHE 46 HD1 PHE 46 91.786 -8.618 5.529 353 HE1 PHE 46 HE2 PHE 46 92.921 -11.555 1.696 354 HE2 PHE 46 HE1 PHE 46 93.958 -8.351 4.362 355 HZ PHE 46 HZ PHE 46 94.525 -9.819 2.446 356 H THR 47 H THR 47 92.458 -11.610 6.239 357 HA THR 47 HA THR 47 92.707 -11.009 9.031 358 HB THR 47 HB THR 47 94.864 -10.997 6.913 359 HG1 THR 47 HG1 THR 47 93.334 -12.965 7.629 360 HG21 THR 47 HG21 THR 47 96.321 -11.519 8.839 361 HG22 THR 47 HG22 THR 47 94.930 -11.404 9.916 362 HG23 THR 47 HG23 THR 47 95.500 -9.973 9.056 363 H TYR 48 H TYR 48 91.587 -8.978 9.148 364 HA TYR 48 HA TYR 48 92.248 -6.670 7.707 365 HB2 TYR 48 HB2 TYR 48 90.920 -7.242 10.307 366 HB3 TYR 48 HB3 TYR 48 91.463 -5.589 10.038 367 HD1 TYR 48 HD2 TYR 48 90.902 -4.588 7.671 368 HD2 TYR 48 HD1 TYR 48 88.823 -7.877 9.485 369 HE1 TYR 48 HE2 TYR 48 88.946 -4.150 6.218 370 HE2 TYR 48 HE1 TYR 48 86.865 -7.437 8.034 371 HH TYR 48 HH TYR 48 86.392 -4.618 6.393 372 H THR 49 H THR 49 93.524 -4.865 8.237 373 HA THR 49 HA THR 49 96.049 -5.565 9.488 374 HB THR 49 HB THR 49 96.843 -3.460 8.631 375 HG1 THR 49 HG1 THR 49 95.279 -2.027 9.015 376 HG21 THR 49 HG21 THR 49 96.170 -3.664 6.231 377 HG22 THR 49 HG22 THR 49 94.913 -4.800 6.717 378 HG23 THR 49 HG23 THR 49 96.612 -5.207 6.957 379 H ASP 50 H ASP 50 96.993 -4.443 11.243 380 HA ASP 50 HA ASP 50 95.422 -4.030 13.473 381 HB2 ASP 50 HB2 ASP 50 98.011 -2.571 12.937 382 HB3 ASP 50 HB1 ASP 50 97.331 -3.007 14.504 383 H ALA 51 H ALA 51 96.417 -1.683 11.023 384 HA ALA 51 HA ALA 51 95.529 0.657 12.296 385 HB1 ALA 51 HB1 ALA 51 96.914 0.695 10.275 386 HB2 ALA 51 HB2 ALA 51 95.435 1.627 10.038 387 HB3 ALA 51 HB3 ALA 51 95.583 0.013 9.341 388 H ASN 52 H ASN 52 93.800 -1.708 10.321 389 HA ASN 52 HA ASN 52 91.340 -0.182 10.356 390 HB2 ASN 52 HB2 ASN 52 92.245 -2.800 9.240 391 HB3 ASN 52 HB1 ASN 52 90.520 -2.580 9.514 392 HD21 ASN 52 HD21 ASN 52 90.173 -2.567 7.153 393 HD22 ASN 52 HD22 ASN 52 90.560 -1.184 6.242 394 H LYS 53 H LYS 53 92.863 -2.659 12.248 395 HA LYS 53 HA LYS 53 90.435 -3.377 13.672 396 HB2 LYS 53 HB2 LYS 53 91.720 -5.257 13.702 397 HB3 LYS 53 HB3 LYS 53 93.213 -4.355 13.486 398 HG2 LYS 53 HG2 LYS 53 93.237 -3.750 15.856 399 HG3 LYS 53 HG3 LYS 53 91.680 -4.546 16.095 400 HD2 LYS 53 HD2 LYS 53 92.873 -6.659 15.149 401 HD3 LYS 53 HD3 LYS 53 94.364 -5.787 15.509 402 HE2 LYS 53 HE2 LYS 53 92.220 -6.705 17.420 403 HE3 LYS 53 HE3 LYS 53 93.953 -7.026 17.476 404 HZ1 LYS 53 HZ1 LYS 53 93.513 -5.381 19.086 405 HZ2 LYS 53 HZ2 LYS 53 92.562 -4.466 18.015 406 HZ3 LYS 53 HZ3 LYS 53 94.243 -4.573 17.785 407 H ASN 54 H ASN 54 92.801 -0.967 13.790 408 HA ASN 54 HA ASN 54 92.995 -0.513 16.581 409 HB2 ASN 54 HB2 ASN 54 94.181 1.362 16.006 410 HB3 ASN 54 HB1 ASN 54 94.314 0.475 14.494 411 HD21 ASN 54 HD21 ASN 54 91.619 0.949 13.536 412 HD22 ASN 54 HD22 ASN 54 91.482 2.604 13.189 413 H LYS 55 H LYS 55 90.531 0.020 14.297 414 HA LYS 55 HA LYS 55 88.399 0.881 14.478 415 HB2 LYS 55 HB2 LYS 55 88.861 1.263 17.430 416 HB3 LYS 55 HB3 LYS 55 87.356 0.902 16.585 417 HG2 LYS 55 HG2 LYS 55 88.580 -1.294 15.859 418 HG3 LYS 55 HG3 LYS 55 89.657 -0.935 17.209 419 HD2 LYS 55 HD2 LYS 55 87.714 -0.839 18.732 420 HD3 LYS 55 HD3 LYS 55 86.643 -1.217 17.383 421 HE2 LYS 55 HE2 LYS 55 88.072 -3.317 17.035 422 HE3 LYS 55 HE3 LYS 55 88.768 -2.976 18.619 423 HZ1 LYS 55 HZ1 LYS 55 86.727 -4.500 18.475 424 HZ2 LYS 55 HZ2 LYS 55 85.844 -3.065 18.252 425 HZ3 LYS 55 HZ3 LYS 55 86.750 -3.296 19.670 426 H GLY 56 H GLY 56 89.815 2.675 13.395 427 HA2 GLY 56 HA2 GLY 56 90.223 5.059 14.972 428 HA3 GLY 56 HA3 GLY 56 90.453 4.904 13.235 429 H ILE 57 H ILE 57 87.988 4.091 12.367 430 HA ILE 57 HA ILE 57 85.986 5.933 13.439 431 HB ILE 57 HB ILE 57 85.590 6.982 11.247 432 HG12 ILE 57 HG12 ILE 57 87.595 6.687 9.592 433 HG13 ILE 57 HG13 ILE 57 87.899 5.193 10.474 434 HG21 ILE 57 HG21 ILE 57 87.201 7.927 12.977 435 HG22 ILE 57 HG22 ILE 57 87.448 8.490 11.324 436 HG23 ILE 57 HG23 ILE 57 88.507 7.254 12.002 437 HD11 ILE 57 HD11 ILE 57 86.223 5.374 8.334 438 HD12 ILE 57 HD12 ILE 57 85.078 5.609 9.651 439 HD13 ILE 57 HD13 ILE 57 86.069 4.153 9.592 440 H THR 58 H THR 58 83.988 5.784 11.798 441 HA THR 58 HA THR 58 83.528 2.895 11.352 442 HB THR 58 HB THR 58 81.719 5.115 12.283 443 HG1 THR 58 HG1 THR 58 81.414 3.719 13.958 444 HG21 THR 58 HG21 THR 58 81.014 2.611 10.796 445 HG22 THR 58 HG22 THR 58 80.255 4.199 10.732 446 HG23 THR 58 HG23 THR 58 79.964 3.137 12.109 447 H TRP 59 H TRP 59 82.731 2.208 9.415 448 HA TRP 59 HA TRP 59 83.107 3.826 7.127 449 HB2 TRP 59 HB2 TRP 59 81.319 1.401 7.180 450 HB3 TRP 59 HB1 TRP 59 82.329 2.000 5.861 451 HD1 TRP 59 HD1 TRP 59 85.029 2.413 7.414 452 HE1 TRP 59 HE1 TRP 59 86.378 0.366 8.214 453 HE3 TRP 59 HE3 TRP 59 81.352 -1.121 7.465 454 HZ2 TRP 59 HZ2 TRP 59 85.940 -2.402 8.832 455 HZ3 TRP 59 HZ3 TRP 59 81.841 -3.448 8.154 456 HH2 TRP 59 HH2 TRP 59 84.131 -4.091 8.838 457 H LYS 60 H LYS 60 81.777 5.099 5.998 458 HA LYS 60 HA LYS 60 78.893 5.051 6.412 459 HB2 LYS 60 HB2 LYS 60 80.580 7.486 7.055 460 HB3 LYS 60 HB3 LYS 60 78.823 7.491 6.915 461 HG2 LYS 60 HG2 LYS 60 78.861 5.609 8.684 462 HG3 LYS 60 HG3 LYS 60 80.531 6.094 8.977 463 HD2 LYS 60 HD2 LYS 60 78.245 8.077 9.026 464 HD3 LYS 60 HD3 LYS 60 78.759 7.194 10.463 465 HE2 LYS 60 HE2 LYS 60 81.061 8.078 10.159 466 HE3 LYS 60 HE3 LYS 60 80.501 9.009 8.771 467 HZ1 LYS 60 HZ1 LYS 60 80.506 10.378 10.736 468 HZ2 LYS 60 HZ2 LYS 60 79.525 9.265 11.563 469 HZ3 LYS 60 HZ3 LYS 60 78.907 10.122 10.233 470 H GLU 61 H GLU 61 78.335 7.496 5.141 471 HA GLU 61 HA GLU 61 78.899 6.773 2.411 472 HB2 GLU 61 HB2 GLU 61 76.728 7.701 2.957 473 HB3 GLU 61 HB3 GLU 61 77.474 9.158 3.614 474 HG2 GLU 61 HG2 GLU 61 78.211 9.879 1.476 475 HG3 GLU 61 HG3 GLU 61 77.938 8.291 0.758 476 H GLU 62 H GLU 62 79.525 9.742 4.306 477 HA GLU 62 HA GLU 62 81.305 10.849 2.387 478 HB2 GLU 62 HB2 GLU 62 80.996 11.443 5.340 479 HB3 GLU 62 HB3 GLU 62 81.906 12.431 4.196 480 HG2 GLU 62 HG2 GLU 62 79.848 12.759 2.858 481 HG3 GLU 62 HG3 GLU 62 78.943 11.802 4.031 482 H THR 63 H THR 63 81.835 9.052 5.408 483 HA THR 63 HA THR 63 84.605 9.209 5.558 484 HB THR 63 HB THR 63 84.508 7.083 6.789 485 HG1 THR 63 HG1 THR 63 82.523 6.616 5.171 486 HG21 THR 63 HG21 THR 63 82.298 9.076 7.277 487 HG22 THR 63 HG22 THR 63 83.868 8.974 8.074 488 HG23 THR 63 HG23 THR 63 82.636 7.752 8.390 489 H LEU 64 H LEU 64 82.544 7.149 3.589 490 HA LEU 64 HA LEU 64 84.635 5.502 2.574 491 HB2 LEU 64 HB2 LEU 64 81.773 5.839 2.149 492 HB3 LEU 64 HB3 LEU 64 82.627 5.532 0.645 493 HG LEU 64 HG LEU 64 82.963 3.845 3.136 494 HD11 LEU 64 HD11 LEU 64 80.856 3.152 2.607 495 HD12 LEU 64 HD12 LEU 64 81.673 2.253 1.329 496 HD13 LEU 64 HD13 LEU 64 80.935 3.813 0.976 497 HD21 LEU 64 HD21 LEU 64 83.701 2.270 1.073 498 HD22 LEU 64 HD22 LEU 64 84.840 3.338 1.889 499 HD23 LEU 64 HD23 LEU 64 84.101 3.837 0.370 500 H MET 65 H MET 65 83.236 8.590 1.609 501 HA MET 65 HA MET 65 84.313 8.724 -0.994 502 HB2 MET 65 HB2 MET 65 83.681 10.955 0.947 503 HB3 MET 65 HB1 MET 65 84.035 11.180 -0.766 504 HG2 MET 65 HG2 MET 65 82.103 9.925 -1.421 505 HG3 MET 65 HG1 MET 65 81.829 9.370 0.229 506 HE1 MET 65 HE1 MET 65 80.200 11.452 -2.237 507 HE2 MET 65 HE2 MET 65 81.837 12.099 -2.303 508 HE3 MET 65 HE3 MET 65 80.505 13.142 -1.810 509 H GLU 66 H GLU 66 85.566 10.229 2.002 510 HA GLU 66 HA GLU 66 87.991 11.115 0.885 511 HB2 GLU 66 HB2 GLU 66 87.388 10.307 3.743 512 HB3 GLU 66 HB3 GLU 66 88.785 11.249 3.221 513 HG2 GLU 66 HG2 GLU 66 87.094 12.878 2.183 514 HG3 GLU 66 HG3 GLU 66 85.870 12.032 3.126 515 H TYR 67 H TYR 67 86.955 8.033 2.125 516 HA TYR 67 HA TYR 67 89.593 6.863 2.220 517 HB2 TYR 67 HB2 TYR 67 87.941 5.971 3.710 518 HB3 TYR 67 HB3 TYR 67 86.800 5.730 2.394 519 HD1 TYR 67 HD2 TYR 67 87.059 3.893 0.805 520 HD2 TYR 67 HD1 TYR 67 89.843 4.464 4.024 521 HE1 TYR 67 HE2 TYR 67 87.953 1.608 0.438 522 HE2 TYR 67 HE1 TYR 67 90.738 2.181 3.659 523 HH TYR 67 HH TYR 67 89.482 0.117 1.034 524 H LEU 68 H LEU 68 87.026 7.217 -0.099 525 HA LEU 68 HA LEU 68 87.993 5.196 -1.909 526 HB2 LEU 68 HB2 LEU 68 85.778 7.173 -1.847 527 HB3 LEU 68 HB3 LEU 68 86.335 6.686 -3.441 528 HG LEU 68 HG LEU 68 85.538 4.748 -1.250 529 HD11 LEU 68 HD11 LEU 68 83.515 5.750 -1.848 530 HD12 LEU 68 HD12 LEU 68 83.587 4.381 -2.951 531 HD13 LEU 68 HD13 LEU 68 84.004 5.997 -3.522 532 HD21 LEU 68 HD21 LEU 68 86.809 3.430 -2.634 533 HD22 LEU 68 HD22 LEU 68 86.593 4.485 -4.027 534 HD23 LEU 68 HD23 LEU 68 85.310 3.377 -3.553 535 H GLU 69 H GLU 69 88.694 8.523 -1.306 536 HA GLU 69 HA GLU 69 89.929 8.897 -3.939 537 HB2 GLU 69 HB2 GLU 69 89.851 11.152 -3.530 538 HB3 GLU 69 HB3 GLU 69 88.562 10.647 -2.443 539 HG2 GLU 69 HG2 GLU 69 90.398 10.427 -0.649 540 HG3 GLU 69 HG3 GLU 69 91.415 11.350 -1.754 541 H ASN 70 H ASN 70 90.756 7.777 -0.870 542 HA ASN 70 HA ASN 70 93.492 7.400 -1.557 543 HB2 ASN 70 HB2 ASN 70 93.196 9.930 -0.857 544 HB3 ASN 70 HB1 ASN 70 93.214 9.265 0.772 545 HD21 ASN 70 HD21 ASN 70 95.099 7.162 0.447 546 HD22 ASN 70 HD22 ASN 70 96.608 7.834 0.059 547 HA PRO 71 HA PRO 71 91.256 4.619 1.551 548 HB2 PRO 71 HB2 PRO 71 93.005 2.763 -0.013 549 HB3 PRO 71 HB1 PRO 71 91.338 2.537 0.547 550 HG2 PRO 71 HG2 PRO 71 91.904 3.107 -2.000 551 HG3 PRO 71 HG1 PRO 71 90.445 3.718 -1.203 552 HD2 PRO 71 HD2 PRO 71 92.913 5.184 -1.980 553 HD3 PRO 71 HD1 PRO 71 91.257 5.793 -1.770 554 H LYS 72 H LYS 72 94.642 4.793 0.509 555 HA LYS 72 HA LYS 72 95.685 3.488 2.836 556 HB2 LYS 72 HB2 LYS 72 96.824 3.566 0.613 557 HB3 LYS 72 HB3 LYS 72 97.136 5.278 0.883 558 HG2 LYS 72 HG2 LYS 72 98.954 4.772 2.116 559 HG3 LYS 72 HG3 LYS 72 97.946 3.870 3.244 560 HD2 LYS 72 HD2 LYS 72 98.932 2.689 0.633 561 HD3 LYS 72 HD3 LYS 72 99.831 2.548 2.144 562 HE2 LYS 72 HE2 LYS 72 97.013 1.544 1.629 563 HE3 LYS 72 HE3 LYS 72 98.457 0.555 1.844 564 HZ1 LYS 72 HZ1 LYS 72 97.080 2.240 3.846 565 HZ2 LYS 72 HZ2 LYS 72 98.675 1.701 4.072 566 HZ3 LYS 72 HZ3 LYS 72 97.409 0.579 3.917 567 H LYS 73 H LYS 73 95.587 6.892 1.787 568 HA LYS 73 HA LYS 73 96.943 7.934 4.015 569 HB2 LYS 73 HB2 LYS 73 96.619 9.189 1.923 570 HB3 LYS 73 HB3 LYS 73 94.892 9.297 2.264 571 HG2 LYS 73 HG2 LYS 73 95.322 10.564 4.299 572 HG3 LYS 73 HG3 LYS 73 97.062 10.372 4.086 573 HD2 LYS 73 HD2 LYS 73 97.150 11.871 2.309 574 HD3 LYS 73 HD3 LYS 73 95.466 11.598 1.858 575 HE2 LYS 73 HE2 LYS 73 94.665 12.912 3.685 576 HE3 LYS 73 HE3 LYS 73 96.252 12.944 4.451 577 HZ1 LYS 73 HZ1 LYS 73 96.858 14.673 3.222 578 HZ2 LYS 73 HZ2 LYS 73 95.236 14.816 2.735 579 HZ3 LYS 73 HZ3 LYS 73 96.339 13.942 1.782 580 H TYR 74 H TYR 74 93.529 7.187 3.516 581 HA TYR 74 HA TYR 74 92.540 8.621 5.749 582 HB2 TYR 74 HB2 TYR 74 91.356 7.325 3.703 583 HB3 TYR 74 HB3 TYR 74 91.163 6.108 4.962 584 HD1 TYR 74 HD1 TYR 74 90.899 9.845 4.627 585 HD2 TYR 74 HD2 TYR 74 89.203 6.232 6.223 586 HE1 TYR 74 HE1 TYR 74 89.025 11.150 5.594 587 HE2 TYR 74 HE2 TYR 74 87.332 7.540 7.189 588 HH TYR 74 HH TYR 74 86.869 9.845 7.890 589 H ILE 75 H ILE 75 93.165 5.121 5.400 590 HA ILE 75 HA ILE 75 93.741 5.026 8.303 591 HB ILE 75 HB ILE 75 92.347 2.836 6.751 592 HG12 ILE 75 HG12 ILE 75 91.071 4.697 8.767 593 HG13 ILE 75 HG13 ILE 75 91.036 5.038 7.036 594 HG21 ILE 75 HG21 ILE 75 93.556 2.035 8.700 595 HG22 ILE 75 HG22 ILE 75 91.836 2.052 9.087 596 HG23 ILE 75 HG23 ILE 75 92.890 3.329 9.695 597 HD11 ILE 75 HD11 ILE 75 90.108 2.402 8.188 598 HD12 ILE 75 HD12 ILE 75 89.822 3.036 6.567 599 HD13 ILE 75 HD13 ILE 75 89.021 3.770 7.955 600 HA PRO 76 HA PRO 76 97.399 3.757 5.598 601 HB2 PRO 76 HB2 PRO 76 98.494 4.425 8.315 602 HB3 PRO 76 HB1 PRO 76 99.194 4.740 6.713 603 HG2 PRO 76 HG2 PRO 76 97.970 6.664 8.095 604 HG3 PRO 76 HG1 PRO 76 97.843 6.560 6.331 605 HD2 PRO 76 HD2 PRO 76 95.779 5.993 8.386 606 HD3 PRO 76 HD1 PRO 76 95.574 6.432 6.677 607 H GLY 77 H GLY 77 98.762 1.890 5.844 608 HA2 GLY 77 HA2 GLY 77 99.452 -0.136 6.794 609 HA3 GLY 77 HA3 GLY 77 98.352 0.143 8.141 610 H THR 78 H THR 78 96.129 0.766 6.237 611 HA THR 78 HA THR 78 94.878 -1.724 6.148 612 HB THR 78 HB THR 78 93.684 0.429 5.942 613 HG1 THR 78 HG1 THR 78 92.280 -0.291 4.285 614 HG21 THR 78 HG21 THR 78 95.408 1.434 4.408 615 HG22 THR 78 HG22 THR 78 93.741 1.677 3.887 616 HG23 THR 78 HG23 THR 78 94.738 0.448 3.110 617 H LYS 79 H LYS 79 94.687 -3.327 4.602 618 HA LYS 79 HA LYS 79 96.802 -3.335 2.580 619 HB2 LYS 79 HB2 LYS 79 96.032 -5.283 4.220 620 HB3 LYS 79 HB3 LYS 79 94.913 -5.627 2.904 621 HG2 LYS 79 HG2 LYS 79 96.750 -6.890 2.241 622 HG3 LYS 79 HG3 LYS 79 97.080 -5.374 1.403 623 HD2 LYS 79 HD2 LYS 79 98.577 -4.663 3.202 624 HD3 LYS 79 HD3 LYS 79 98.191 -6.115 4.127 625 HE2 LYS 79 HE2 LYS 79 100.316 -6.438 2.970 626 HE3 LYS 79 HE3 LYS 79 99.099 -7.501 2.266 627 HZ1 LYS 79 HZ1 LYS 79 100.596 -6.060 0.740 628 HZ2 LYS 79 HZ2 LYS 79 99.503 -4.820 1.133 629 HZ3 LYS 79 HZ3 LYS 79 98.949 -6.237 0.376 630 H MET 80 H MET 80 96.060 -1.912 1.009 631 HA MET 80 HA MET 80 94.441 -3.024 -1.022 632 HB2 MET 80 HB2 MET 80 92.565 -2.470 0.444 633 HB3 MET 80 HB1 MET 80 93.137 -0.807 0.579 634 HG2 MET 80 HG2 MET 80 92.760 -0.403 -1.767 635 HG3 MET 80 HG1 MET 80 92.446 -2.110 -2.068 636 HE1 MET 80 HE1 MET 80 90.945 1.016 -2.162 637 HE2 MET 80 HE2 MET 80 89.253 0.531 -2.219 638 HE3 MET 80 HE3 MET 80 90.427 -0.270 -3.260 639 H ILE 81 H ILE 81 96.099 -2.419 -2.359 640 HA ILE 81 HA ILE 81 96.440 0.490 -2.794 641 HB ILE 81 HB ILE 81 98.504 -1.720 -2.899 642 HG12 ILE 81 HG12 ILE 81 99.697 -0.027 -1.394 643 HG13 ILE 81 HG13 ILE 81 98.166 0.838 -1.307 644 HG21 ILE 81 HG21 ILE 81 98.535 1.074 -4.047 645 HG22 ILE 81 HG22 ILE 81 98.966 -0.440 -4.842 646 HG23 ILE 81 HG23 ILE 81 100.024 0.239 -3.605 647 HD11 ILE 81 HD11 ILE 81 97.825 -2.020 -0.781 648 HD12 ILE 81 HD12 ILE 81 97.325 -0.634 0.186 649 HD13 ILE 81 HD13 ILE 81 98.960 -1.270 0.339 650 H PHE 82 H PHE 82 95.257 0.879 -4.577 651 HA PHE 82 HA PHE 82 95.929 -0.627 -7.013 652 HB2 PHE 82 HB2 PHE 82 93.894 -1.688 -6.221 653 HB3 PHE 82 HB1 PHE 82 93.114 -0.119 -6.020 654 HD1 PHE 82 HD2 PHE 82 94.558 -2.456 -8.528 655 HD2 PHE 82 HD1 PHE 82 92.122 1.021 -7.868 656 HE1 PHE 82 HE2 PHE 82 93.832 -2.514 -10.899 657 HE2 PHE 82 HE1 PHE 82 91.397 0.962 -10.239 658 HZ PHE 82 HZ PHE 82 92.252 -0.806 -11.754 659 H ALA 83 H ALA 83 93.415 1.780 -6.289 660 HA ALA 83 HA ALA 83 94.847 4.021 -7.277 661 HB1 ALA 83 HB1 ALA 83 92.866 2.798 -9.211 662 HB2 ALA 83 HB2 ALA 83 94.616 2.808 -9.421 663 HB3 ALA 83 HB3 ALA 83 93.719 4.325 -9.425 664 H GLY 84 H GLY 84 93.929 5.642 -6.209 665 HA2 GLY 84 HA2 GLY 84 91.323 5.427 -5.038 666 HA3 GLY 84 HA3 GLY 84 92.371 6.841 -4.997 667 H ILE 85 H ILE 85 89.751 7.318 -5.295 668 HA ILE 85 HA ILE 85 89.006 7.478 -8.094 669 HB ILE 85 HB ILE 85 87.721 8.531 -5.570 670 HG12 ILE 85 HG12 ILE 85 87.877 5.967 -6.240 671 HG13 ILE 85 HG13 ILE 85 86.372 6.635 -5.618 672 HG21 ILE 85 HG21 ILE 85 86.902 8.705 -8.468 673 HG22 ILE 85 HG22 ILE 85 86.963 9.993 -7.265 674 HG23 ILE 85 HG23 ILE 85 85.710 8.756 -7.172 675 HD11 ILE 85 HD11 ILE 85 86.900 6.646 -8.579 676 HD12 ILE 85 HD12 ILE 85 85.358 6.680 -7.725 677 HD13 ILE 85 HD13 ILE 85 86.298 5.190 -7.788 678 H LYS 86 H LYS 86 88.457 9.548 -9.125 679 HA LYS 86 HA LYS 86 90.413 11.624 -8.386 680 HB2 LYS 86 HB2 LYS 86 90.345 10.528 -10.716 681 HB3 LYS 86 HB3 LYS 86 88.894 11.495 -10.982 682 HG2 LYS 86 HG2 LYS 86 90.141 13.550 -10.488 683 HG3 LYS 86 HG3 LYS 86 91.589 12.606 -10.142 684 HD2 LYS 86 HD2 LYS 86 91.972 13.226 -12.358 685 HD3 LYS 86 HD3 LYS 86 91.208 11.652 -12.569 686 HE2 LYS 86 HE2 LYS 86 89.037 12.728 -12.941 687 HE3 LYS 86 HE3 LYS 86 89.754 14.313 -12.656 688 HZ1 LYS 86 HZ1 LYS 86 89.534 13.728 -15.033 689 HZ2 LYS 86 HZ2 LYS 86 90.629 12.451 -14.794 690 HZ3 LYS 86 HZ3 LYS 86 91.132 14.058 -14.567 691 H LYS 87 H LYS 87 87.181 11.621 -9.942 692 HA LYS 87 HA LYS 87 86.641 14.247 -8.812 693 HB2 LYS 87 HB2 LYS 87 84.676 12.570 -10.357 694 HB3 LYS 87 HB3 LYS 87 84.789 14.327 -10.255 695 HG2 LYS 87 HG2 LYS 87 87.066 14.127 -11.375 696 HG3 LYS 87 HG3 LYS 87 86.666 12.439 -11.692 697 HD2 LYS 87 HD2 LYS 87 84.579 13.204 -12.849 698 HD3 LYS 87 HD3 LYS 87 85.122 14.869 -12.639 699 HE2 LYS 87 HE2 LYS 87 86.822 12.774 -14.004 700 HE3 LYS 87 HE3 LYS 87 85.682 13.789 -14.888 701 HZ1 LYS 87 HZ1 LYS 87 86.817 15.742 -13.983 702 HZ2 LYS 87 HZ2 LYS 87 87.863 14.778 -14.910 703 HZ3 LYS 87 HZ3 LYS 87 87.944 14.735 -13.213 704 H LYS 88 H LYS 88 84.585 14.696 -7.707 705 HA LYS 88 HA LYS 88 84.240 12.957 -5.464 706 HB2 LYS 88 HB2 LYS 88 83.941 15.516 -5.548 707 HB3 LYS 88 HB3 LYS 88 82.346 15.176 -6.223 708 HG2 LYS 88 HG2 LYS 88 81.791 13.798 -4.262 709 HG3 LYS 88 HG3 LYS 88 83.395 14.090 -3.591 710 HD2 LYS 88 HD2 LYS 88 82.232 15.756 -2.488 711 HD3 LYS 88 HD3 LYS 88 82.671 16.644 -3.947 712 HE2 LYS 88 HE2 LYS 88 80.492 16.047 -4.957 713 HE3 LYS 88 HE3 LYS 88 80.053 15.187 -3.482 714 HZ1 LYS 88 HZ1 LYS 88 80.672 17.469 -2.402 715 HZ2 LYS 88 HZ2 LYS 88 79.133 17.215 -3.073 716 HZ3 LYS 88 HZ3 LYS 88 80.313 18.068 -3.948 717 H THR 89 H THR 89 82.073 13.908 -8.144 718 HA THR 89 HA THR 89 79.888 12.336 -7.513 719 HB THR 89 HB THR 89 79.400 12.292 -9.945 720 HG1 THR 89 HG1 THR 89 81.249 13.846 -10.882 721 HG21 THR 89 HG21 THR 89 80.344 14.865 -8.672 722 HG22 THR 89 HG22 THR 89 78.695 14.249 -8.779 723 HG23 THR 89 HG23 THR 89 79.515 14.831 -10.228 724 H GLU 90 H GLU 90 82.997 11.372 -8.746 725 HA GLU 90 HA GLU 90 82.233 8.793 -9.693 726 HB2 GLU 90 HB2 GLU 90 84.847 10.032 -8.857 727 HB3 GLU 90 HB3 GLU 90 84.746 8.314 -9.233 728 HG2 GLU 90 HG2 GLU 90 83.902 8.806 -11.459 729 HG3 GLU 90 HG3 GLU 90 83.840 10.528 -11.091 730 H ARG 91 H ARG 91 83.305 10.104 -6.606 731 HA ARG 91 HA ARG 91 83.359 7.566 -5.250 732 HB2 ARG 91 HB2 ARG 91 83.163 10.341 -4.050 733 HB3 ARG 91 HB3 ARG 91 83.705 8.872 -3.242 734 HG2 ARG 91 HG2 ARG 91 85.577 8.714 -4.884 735 HG3 ARG 91 HG3 ARG 91 85.075 10.268 -5.551 736 HD2 ARG 91 HD2 ARG 91 85.211 10.723 -2.795 737 HD3 ARG 91 HD3 ARG 91 86.611 9.709 -3.134 738 HE ARG 91 HE ARG 91 86.702 11.601 -5.103 739 HH11 ARG 91 HH21 ARG 91 86.444 11.657 -1.649 740 HH12 ARG 91 HH22 ARG 91 87.249 13.181 -1.478 741 HH21 ARG 91 HH11 ARG 91 87.759 13.598 -4.882 742 HH22 ARG 91 HH12 ARG 91 87.992 14.278 -3.306 743 H GLU 92 H GLU 92 81.161 10.378 -5.233 744 HA GLU 92 HA GLU 92 79.236 9.365 -3.480 745 HB2 GLU 92 HB2 GLU 92 79.359 11.716 -4.389 746 HB3 GLU 92 HB3 GLU 92 78.664 11.102 -5.890 747 HG2 GLU 92 HG2 GLU 92 76.709 10.257 -4.627 748 HG3 GLU 92 HG3 GLU 92 77.396 10.915 -3.142 749 H ASP 93 H ASP 93 79.257 9.244 -7.056 750 HA ASP 93 HA ASP 93 76.955 7.659 -7.345 751 HB2 ASP 93 HB2 ASP 93 79.413 7.803 -9.108 752 HB3 ASP 93 HB1 ASP 93 77.869 7.094 -9.576 753 H LEU 94 H LEU 94 80.387 6.729 -7.194 754 HA LEU 94 HA LEU 94 80.069 3.959 -7.428 755 HB2 LEU 94 HB2 LEU 94 82.270 4.997 -7.550 756 HB3 LEU 94 HB3 LEU 94 82.127 5.543 -5.881 757 HG LEU 94 HG LEU 94 82.086 3.248 -5.077 758 HD11 LEU 94 HD11 LEU 94 81.946 2.662 -8.022 759 HD12 LEU 94 HD12 LEU 94 80.987 1.985 -6.705 760 HD13 LEU 94 HD13 LEU 94 82.661 1.479 -6.925 761 HD21 LEU 94 HD21 LEU 94 84.320 3.545 -7.103 762 HD22 LEU 94 HD22 LEU 94 84.364 2.646 -5.588 763 HD23 LEU 94 HD23 LEU 94 84.279 4.406 -5.564 764 H ILE 95 H ILE 95 79.836 6.094 -4.650 765 HA ILE 95 HA ILE 95 79.623 3.973 -2.753 766 HB ILE 95 HB ILE 95 79.279 6.950 -2.638 767 HG12 ILE 95 HG12 ILE 95 80.995 5.358 -0.790 768 HG13 ILE 95 HG13 ILE 95 81.460 5.345 -2.485 769 HG21 ILE 95 HG21 ILE 95 78.345 4.893 -0.657 770 HG22 ILE 95 HG22 ILE 95 77.617 6.441 -1.082 771 HG23 ILE 95 HG23 ILE 95 79.048 6.393 -0.053 772 HD11 ILE 95 HD11 ILE 95 80.791 8.018 -1.409 773 HD12 ILE 95 HD12 ILE 95 82.117 7.517 -2.454 774 HD13 ILE 95 HD13 ILE 95 82.227 7.271 -0.716 775 H ALA 96 H ALA 96 77.401 5.835 -4.686 776 HA ALA 96 HA ALA 96 75.017 5.243 -3.287 777 HB1 ALA 96 HB1 ALA 96 75.240 5.532 -6.285 778 HB2 ALA 96 HB2 ALA 96 75.349 6.916 -5.196 779 HB3 ALA 96 HB3 ALA 96 73.874 5.950 -5.249 780 H TYR 97 H TYR 97 76.952 3.494 -5.635 781 HA TYR 97 HA TYR 97 75.031 1.375 -5.995 782 HB2 TYR 97 HB2 TYR 97 76.529 1.775 -7.822 783 HB3 TYR 97 HB3 TYR 97 77.940 1.665 -6.770 784 HD1 TYR 97 HD1 TYR 97 75.110 -0.288 -8.209 785 HD2 TYR 97 HD2 TYR 97 78.913 -0.442 -6.220 786 HE1 TYR 97 HE1 TYR 97 75.207 -2.736 -8.586 787 HE2 TYR 97 HE2 TYR 97 79.010 -2.891 -6.596 788 HH TYR 97 HH TYR 97 76.319 -4.706 -7.579 789 H LEU 98 H LEU 98 78.087 1.796 -4.199 790 HA LEU 98 HA LEU 98 78.301 -0.778 -3.153 791 HB2 LEU 98 HB2 LEU 98 79.203 1.924 -2.206 792 HB3 LEU 98 HB3 LEU 98 79.427 0.522 -1.169 793 HG LEU 98 HG LEU 98 80.298 0.368 -4.046 794 HD11 LEU 98 HD11 LEU 98 81.255 2.470 -2.815 795 HD12 LEU 98 HD12 LEU 98 82.362 1.395 -3.663 796 HD13 LEU 98 HD13 LEU 98 82.200 1.288 -1.912 797 HD21 LEU 98 HD21 LEU 98 81.426 -0.792 -1.487 798 HD22 LEU 98 HD22 LEU 98 81.871 -1.241 -3.134 799 HD23 LEU 98 HD23 LEU 98 80.264 -1.624 -2.518 800 H LYS 99 H LYS 99 76.104 1.787 -2.385 801 HA LYS 99 HA LYS 99 75.347 0.764 0.209 802 HB2 LYS 99 HB2 LYS 99 74.260 2.911 -1.604 803 HB3 LYS 99 HB3 LYS 99 73.406 2.422 -0.141 804 HG2 LYS 99 HG2 LYS 99 75.370 2.946 1.221 805 HG3 LYS 99 HG3 LYS 99 76.289 3.350 -0.227 806 HD2 LYS 99 HD2 LYS 99 75.522 5.430 0.697 807 HD3 LYS 99 HD3 LYS 99 74.537 5.112 -0.731 808 HE2 LYS 99 HE2 LYS 99 72.657 4.510 0.544 809 HE3 LYS 99 HE3 LYS 99 73.618 4.189 1.987 810 HZ1 LYS 99 HZ1 LYS 99 74.158 6.780 1.489 811 HZ2 LYS 99 HZ2 LYS 99 72.991 6.227 2.592 812 HZ3 LYS 99 HZ3 LYS 99 72.532 6.674 1.018 813 H LYS 100 H LYS 100 73.686 0.990 -2.946 814 HA LYS 100 HA LYS 100 71.542 -0.727 -2.110 815 HB2 LYS 100 HB2 LYS 100 72.347 0.062 -4.919 816 HB3 LYS 100 HB3 LYS 100 70.781 -0.566 -4.405 817 HG2 LYS 100 HG2 LYS 100 70.596 1.428 -2.856 818 HG3 LYS 100 HG3 LYS 100 72.039 2.079 -3.632 819 HD2 LYS 100 HD2 LYS 100 70.403 3.078 -4.937 820 HD3 LYS 100 HD3 LYS 100 70.654 1.593 -5.852 821 HE2 LYS 100 HE2 LYS 100 68.310 1.708 -5.626 822 HE3 LYS 100 HE3 LYS 100 68.789 0.600 -4.341 823 HZ1 LYS 100 HZ1 LYS 100 68.938 3.254 -3.407 824 HZ2 LYS 100 HZ2 LYS 100 67.963 1.981 -2.844 825 HZ3 LYS 100 HZ3 LYS 100 67.407 2.995 -4.089 826 H ALA 101 H ALA 101 74.709 -1.244 -3.241 827 HA ALA 101 HA ALA 101 74.185 -3.871 -4.377 828 HB1 ALA 101 HB1 ALA 101 76.818 -2.491 -3.803 829 HB2 ALA 101 HB2 ALA 101 75.942 -2.400 -5.331 830 HB3 ALA 101 HB3 ALA 101 76.590 -3.944 -4.776 831 H THR 102 H THR 102 75.330 -2.434 -1.401 832 HA THR 102 HA THR 102 76.123 -5.028 -0.300 833 HB THR 102 HB THR 102 76.730 -3.670 1.703 834 HG1 THR 102 HG1 THR 102 76.524 -1.457 1.568 835 HG21 THR 102 HG21 THR 102 78.462 -2.229 0.398 836 HG22 THR 102 HG22 THR 102 77.776 -2.992 -1.038 837 HG23 THR 102 HG23 THR 102 78.520 -3.982 0.218 838 H ASN 103 H ASN 103 73.318 -3.372 -0.751 839 HA ASN 103 HA ASN 103 72.071 -4.177 1.786 840 HB2 ASN 103 HB2 ASN 103 71.266 -2.373 -0.483 841 HB3 ASN 103 HB1 ASN 103 70.083 -2.949 0.682 842 HD21 ASN 103 HD21 ASN 103 73.437 -2.320 1.608 843 HD22 ASN 103 HD22 ASN 103 73.093 -0.962 2.564 844 H GLU 104 H GLU 104 72.296 -5.034 -1.559 845 HA GLU 104 HA GLU 104 70.259 -7.148 -1.152 846 HB2 GLU 104 HB2 GLU 104 69.568 -6.937 -3.430 847 HB3 GLU 104 HB3 GLU 104 69.581 -5.308 -2.755 848 HG2 GLU 104 HG2 GLU 104 70.720 -4.959 -4.754 849 HG3 GLU 104 HG3 GLU 104 72.064 -5.275 -3.658 850 HHA HEC 201 HA HEC 105 89.475 -3.524 3.140 851 HHB HEC 201 HB HEC 105 85.600 -0.037 -0.439 852 HHC HEC 201 HC HEC 105 88.862 -1.738 -5.589 853 HHD HEC 201 HD HEC 105 92.281 -5.739 -2.077 854 HMA1 HEC 201 HMA1 HEC 105 85.818 0.826 2.257 855 HMA2 HEC 201 HMA2 HEC 105 85.259 -0.489 3.291 856 HMA3 HEC 201 HMA3 HEC 105 84.666 -0.357 1.637 857 HAA1 HEC 201 HAA1 HEC 105 87.186 -0.881 4.452 858 HAA2 HEC 201 HAA2 HEC 105 88.544 -1.985 4.394 859 HBA1 HEC 201 HBA1 HEC 105 87.244 -3.825 4.804 860 HBA2 HEC 201 HBA2 HEC 105 85.851 -3.170 3.954 861 HMB1 HEC 201 HMB1 HEC 105 84.841 1.157 -3.950 862 HMB2 HEC 201 HMB2 HEC 105 85.140 1.473 -2.245 863 HMB3 HEC 201 HMB3 HEC 105 84.154 0.093 -2.730 864 HAB HEC 201 HAB HEC 105 87.361 -0.532 -6.225 865 HBB1 HEC 201 HBB1 HEC 105 86.687 2.004 -4.782 866 HBB2 HEC 201 HBB2 HEC 105 87.966 1.690 -5.949 867 HBB3 HEC 201 HBB3 HEC 105 86.302 1.879 -6.496 868 HMC1 HEC 201 HMC1 HEC 105 89.821 -3.255 -6.945 869 HMC2 HEC 201 HMC2 HEC 105 91.251 -4.277 -6.992 870 HMC3 HEC 201 HMC3 HEC 105 91.416 -2.546 -6.713 871 HAC HEC 201 HAC HEC 105 92.742 -6.121 -4.004 872 HBC1 HEC 201 HBC1 HEC 105 93.343 -5.163 -6.699 873 HBC2 HEC 201 HBC2 HEC 105 94.432 -5.418 -5.338 874 HBC3 HEC 201 HBC3 HEC 105 93.554 -3.897 -5.491 875 HMD1 HEC 201 HMD1 HEC 105 93.528 -6.270 -0.319 876 HMD2 HEC 201 HMD2 HEC 105 92.415 -7.479 0.321 877 HMD3 HEC 201 HMD3 HEC 105 93.400 -6.514 1.418 878 HAD1 HEC 201 HAD1 HEC 105 92.086 -6.260 3.094 879 HAD2 HEC 201 HAD2 HEC 105 90.540 -5.601 3.587 880 HBD1 HEC 201 HBD1 HEC 105 91.728 -3.315 3.637 881 HBD2 HEC 201 HBD2 HEC 105 93.225 -4.239 3.572 882 H1 HOH 301 H2 HOH 200 81.262 3.398 -0.928 883 H2 HOH 301 H1 HOH 200 82.591 3.321 -1.655 884 H1 HOH 302 H2 HOH 201 86.957 5.357 5.559 885 H2 HOH 302 H1 HOH 201 85.504 5.198 5.953 886 H1 HOH 303 H2 HOH 202 82.313 -5.634 5.175 887 H2 HOH 303 H1 HOH 202 82.411 -5.729 6.683 888 H1 HOH 304 H2 HOH 203 82.389 -11.099 0.554 889 H2 HOH 304 H1 HOH 203 81.327 -10.110 0.125 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 76.207 9.577 -7.031 2 H2 GLY 1 H2 GLY 1 75.225 8.243 -6.653 3 H3 GLY 1 H3 GLY 1 75.486 9.464 -5.500 4 HA2 GLY 1 HA2 GLY 1 73.421 10.054 -6.242 5 HA3 GLY 1 HA3 GLY 1 74.456 10.997 -7.314 6 H ASP 2 H ASP 2 75.215 8.096 -8.330 7 HA ASP 2 HA ASP 2 72.827 7.568 -9.962 8 HB2 ASP 2 HB2 ASP 2 75.570 7.947 -11.173 9 HB3 ASP 2 HB1 ASP 2 74.066 7.603 -12.026 10 H VAL 3 H VAL 3 72.638 5.659 -8.751 11 HA VAL 3 HA VAL 3 74.549 3.753 -8.203 12 HB VAL 3 HB VAL 3 72.293 3.544 -7.358 13 HG11 VAL 3 HG11 VAL 3 71.534 3.181 -10.272 14 HG12 VAL 3 HG12 VAL 3 71.074 4.523 -9.225 15 HG13 VAL 3 HG13 VAL 3 70.441 2.908 -8.916 16 HG21 VAL 3 HG21 VAL 3 71.952 1.198 -7.703 17 HG22 VAL 3 HG22 VAL 3 73.689 1.464 -7.849 18 HG23 VAL 3 HG23 VAL 3 72.706 1.255 -9.297 19 H GLU 4 H GLU 4 73.356 4.744 -11.263 20 HA GLU 4 HA GLU 4 73.894 2.306 -12.683 21 HB2 GLU 4 HB2 GLU 4 73.502 5.154 -13.619 22 HB3 GLU 4 HB3 GLU 4 73.696 3.778 -14.707 23 HG2 GLU 4 HG2 GLU 4 71.711 2.714 -13.808 24 HG3 GLU 4 HG3 GLU 4 71.559 3.957 -12.567 25 H LYS 5 H LYS 5 75.547 5.480 -12.705 26 HA LYS 5 HA LYS 5 77.853 4.424 -14.035 27 HB2 LYS 5 HB2 LYS 5 77.151 7.035 -12.726 28 HB3 LYS 5 HB3 LYS 5 78.835 6.696 -13.127 29 HG2 LYS 5 HG2 LYS 5 78.411 6.599 -15.426 30 HG3 LYS 5 HG3 LYS 5 76.698 6.250 -15.199 31 HD2 LYS 5 HD2 LYS 5 77.773 8.873 -14.208 32 HD3 LYS 5 HD3 LYS 5 77.490 8.672 -15.937 33 HE2 LYS 5 HE2 LYS 5 75.179 8.270 -15.633 34 HE3 LYS 5 HE3 LYS 5 75.375 7.946 -13.912 35 HZ1 LYS 5 HZ1 LYS 5 75.789 10.203 -13.474 36 HZ2 LYS 5 HZ2 LYS 5 74.450 10.187 -14.519 37 HZ3 LYS 5 HZ3 LYS 5 75.991 10.578 -15.116 38 H GLY 6 H GLY 6 76.760 4.515 -10.791 39 HA2 GLY 6 HA2 GLY 6 79.310 4.354 -9.493 40 HA3 GLY 6 HA3 GLY 6 77.752 3.912 -8.788 41 H LYS 7 H LYS 7 76.990 2.101 -10.848 42 HA LYS 7 HA LYS 7 78.185 -0.297 -9.900 43 HB2 LYS 7 HB2 LYS 7 75.840 -0.036 -10.831 44 HB3 LYS 7 HB3 LYS 7 76.571 0.039 -12.433 45 HG2 LYS 7 HG2 LYS 7 77.774 -2.172 -11.706 46 HG3 LYS 7 HG3 LYS 7 76.496 -2.264 -10.500 47 HD2 LYS 7 HD2 LYS 7 75.523 -3.430 -12.268 48 HD3 LYS 7 HD3 LYS 7 74.911 -1.802 -12.556 49 HE2 LYS 7 HE2 LYS 7 76.618 -1.388 -14.226 50 HE3 LYS 7 HE3 LYS 7 77.426 -2.907 -13.842 51 HZ1 LYS 7 HZ1 LYS 7 74.630 -3.166 -14.515 52 HZ2 LYS 7 HZ2 LYS 7 75.965 -4.081 -15.033 53 HZ3 LYS 7 HZ3 LYS 7 75.602 -2.601 -15.785 54 H LYS 8 H LYS 8 78.510 1.602 -12.892 55 HA LYS 8 HA LYS 8 80.200 -0.143 -14.294 56 HB2 LYS 8 HB2 LYS 8 79.176 1.757 -15.385 57 HB3 LYS 8 HB3 LYS 8 80.041 2.876 -14.334 58 HG2 LYS 8 HG2 LYS 8 81.785 0.961 -15.763 59 HG3 LYS 8 HG3 LYS 8 80.924 2.081 -16.817 60 HD2 LYS 8 HD2 LYS 8 82.350 3.101 -14.365 61 HD3 LYS 8 HD3 LYS 8 83.243 2.800 -15.853 62 HE2 LYS 8 HE2 LYS 8 80.715 4.440 -15.895 63 HE3 LYS 8 HE3 LYS 8 82.261 5.177 -15.474 64 HZ1 LYS 8 HZ1 LYS 8 81.272 4.522 -18.019 65 HZ2 LYS 8 HZ2 LYS 8 82.668 3.596 -17.729 66 HZ3 LYS 8 HZ3 LYS 8 82.731 5.291 -17.617 67 H ILE 9 H ILE 9 81.030 2.570 -12.143 68 HA ILE 9 HA ILE 9 83.836 2.245 -12.326 69 HB ILE 9 HB ILE 9 82.177 3.468 -10.113 70 HG12 ILE 9 HG12 ILE 9 83.587 4.843 -12.413 71 HG13 ILE 9 HG13 ILE 9 81.887 4.378 -12.481 72 HG21 ILE 9 HG21 ILE 9 84.318 4.766 -9.739 73 HG22 ILE 9 HG22 ILE 9 85.114 3.631 -10.830 74 HG23 ILE 9 HG23 ILE 9 84.410 3.056 -9.319 75 HD11 ILE 9 HD11 ILE 9 82.328 6.765 -11.720 76 HD12 ILE 9 HD12 ILE 9 83.033 6.079 -10.256 77 HD13 ILE 9 HD13 ILE 9 81.332 5.798 -10.631 78 H PHE 10 H PHE 10 81.404 0.577 -10.520 79 HA PHE 10 HA PHE 10 83.217 -0.437 -8.510 80 HB2 PHE 10 HB2 PHE 10 81.061 -0.316 -7.669 81 HB3 PHE 10 HB1 PHE 10 80.329 -0.843 -9.184 82 HD1 PHE 10 HD1 PHE 10 80.271 -3.213 -9.807 83 HD2 PHE 10 HD2 PHE 10 81.988 -1.927 -6.089 84 HE1 PHE 10 HE1 PHE 10 80.265 -5.556 -8.997 85 HE2 PHE 10 HE2 PHE 10 81.985 -4.271 -5.277 86 HZ PHE 10 HZ PHE 10 81.124 -6.087 -6.735 87 H VAL 11 H VAL 11 81.438 -1.928 -11.235 88 HA VAL 11 HA VAL 11 82.428 -4.507 -10.992 89 HB VAL 11 HB VAL 11 81.961 -4.747 -13.418 90 HG11 VAL 11 HG11 VAL 11 79.611 -4.431 -13.208 91 HG12 VAL 11 HG12 VAL 11 79.819 -3.099 -12.074 92 HG13 VAL 11 HG13 VAL 11 80.189 -4.747 -11.572 93 HG21 VAL 11 HG21 VAL 11 81.371 -1.780 -13.242 94 HG22 VAL 11 HG22 VAL 11 81.128 -2.803 -14.657 95 HG23 VAL 11 HG23 VAL 11 82.760 -2.480 -14.072 96 H GLN 12 H GLN 12 83.942 -1.669 -12.358 97 HA GLN 12 HA GLN 12 86.172 -3.301 -13.356 98 HB2 GLN 12 HB2 GLN 12 86.943 -1.255 -14.438 99 HB3 GLN 12 HB1 GLN 12 85.263 -1.595 -14.846 100 HG2 GLN 12 HG2 GLN 12 84.772 -0.055 -12.741 101 HG3 GLN 12 HG1 GLN 12 86.388 0.557 -13.086 102 HE21 GLN 12 HE21 GLN 12 83.796 -0.522 -15.336 103 HE22 GLN 12 HE22 GLN 12 83.729 0.942 -16.182 104 H LYS 13 H LYS 13 85.435 -1.139 -10.704 105 HA LYS 13 HA LYS 13 88.305 -0.899 -10.106 106 HB2 LYS 13 HB2 LYS 13 86.695 1.101 -10.147 107 HB3 LYS 13 HB3 LYS 13 86.132 0.504 -8.584 108 HG2 LYS 13 HG2 LYS 13 88.336 0.696 -7.634 109 HG3 LYS 13 HG3 LYS 13 89.054 1.019 -9.209 110 HD2 LYS 13 HD2 LYS 13 86.876 2.846 -8.271 111 HD3 LYS 13 HD3 LYS 13 88.468 3.008 -7.529 112 HE2 LYS 13 HE2 LYS 13 88.132 2.906 -10.528 113 HE3 LYS 13 HE3 LYS 13 88.007 4.422 -9.636 114 HZ1 LYS 13 HZ1 LYS 13 90.332 2.595 -9.794 115 HZ2 LYS 13 HZ2 LYS 13 90.216 3.837 -8.640 116 HZ3 LYS 13 HZ3 LYS 13 90.243 4.211 -10.298 117 H CYS 14 H CYS 14 85.384 -1.424 -8.049 118 HA CYS 14 HA CYS 14 87.090 -2.661 -6.053 119 HB2 CYS 14 HB2 CYS 14 84.113 -2.592 -5.828 120 HB3 CYS 14 HB1 CYS 14 85.328 -2.450 -4.563 121 H ALA 15 H ALA 15 84.611 -3.813 -8.300 122 HA ALA 15 HA ALA 15 84.056 -6.291 -7.258 123 HB1 ALA 15 HB1 ALA 15 84.361 -5.310 -10.071 124 HB2 ALA 15 HB2 ALA 15 82.903 -5.818 -9.218 125 HB3 ALA 15 HB3 ALA 15 84.064 -7.022 -9.775 126 H GLN 16 H GLN 16 87.036 -5.176 -8.651 127 HA GLN 16 HA GLN 16 88.325 -7.483 -9.402 128 HB2 GLN 16 HB2 GLN 16 89.458 -5.126 -7.891 129 HB3 GLN 16 HB1 GLN 16 90.424 -6.345 -8.719 130 HG2 GLN 16 HG2 GLN 16 88.274 -5.173 -10.377 131 HG3 GLN 16 HG1 GLN 16 89.513 -4.023 -9.887 132 HE21 GLN 16 HE21 GLN 16 91.839 -4.703 -10.384 133 HE22 GLN 16 HE22 GLN 16 92.110 -5.661 -11.759 134 H CYS 17 H CYS 17 88.586 -6.068 -6.111 135 HA CYS 17 HA CYS 17 89.005 -8.824 -5.100 136 HB2 CYS 17 HB2 CYS 17 90.113 -6.591 -3.505 137 HB3 CYS 17 HB1 CYS 17 90.797 -8.173 -3.858 138 H HIS 18 H HSD 18 86.412 -7.946 -5.231 139 HA HIS 18 HA HSD 18 85.706 -7.918 -2.414 140 HB2 HIS 18 HB2 HSD 18 85.170 -5.555 -4.195 141 HB3 HIS 18 HB1 HSD 18 84.078 -5.942 -2.869 142 HD1 HIS 18 HD1 HSD 18 85.110 -5.888 -0.422 143 HD2 HIS 18 HD2 HSD 18 87.612 -4.432 -3.416 144 HE1 HIS 18 HE1 HSD 18 86.968 -4.622 0.750 145 H THR 19 H THR 19 83.111 -7.550 -2.386 146 HA THR 19 HA THR 19 81.884 -9.061 -4.589 147 HB THR 19 HB THR 19 80.917 -9.944 -1.974 148 HG1 THR 19 HG1 THR 19 83.426 -10.963 -2.580 149 HG21 THR 19 HG21 THR 19 80.575 -10.959 -4.302 150 HG22 THR 19 HG22 THR 19 80.998 -12.079 -3.007 151 HG23 THR 19 HG23 THR 19 82.227 -11.559 -4.160 152 H VAL 20 H VAL 20 81.542 -7.124 -1.679 153 HA VAL 20 HA VAL 20 79.825 -5.837 -0.861 154 HB VAL 20 HB VAL 20 79.103 -4.126 -2.399 155 HG11 VAL 20 HG11 VAL 20 81.462 -4.118 -1.633 156 HG12 VAL 20 HG12 VAL 20 81.296 -3.410 -3.236 157 HG13 VAL 20 HG13 VAL 20 81.918 -5.049 -3.056 158 HG21 VAL 20 HG21 VAL 20 79.330 -4.297 -4.762 159 HG22 VAL 20 HG22 VAL 20 78.603 -5.820 -4.266 160 HG23 VAL 20 HG23 VAL 20 80.322 -5.744 -4.640 161 H GLU 21 H GLU 21 78.954 -8.533 -1.449 162 HA GLU 21 HA GLU 21 76.089 -7.949 -1.817 163 HB2 GLU 21 HB2 GLU 21 75.860 -10.074 -3.125 164 HB3 GLU 21 HB3 GLU 21 76.762 -8.814 -3.966 165 HG2 GLU 21 HG2 GLU 21 78.881 -9.875 -3.091 166 HG3 GLU 21 HG3 GLU 21 77.893 -11.210 -2.509 167 H LYS 22 H LYS 22 74.969 -8.683 -0.147 168 HA LYS 22 HA LYS 22 76.166 -10.246 1.908 169 HB2 LYS 22 HB2 LYS 22 74.374 -8.568 2.293 170 HB3 LYS 22 HB3 LYS 22 73.235 -9.633 1.473 171 HG2 LYS 22 HG2 LYS 22 74.808 -10.933 3.624 172 HG3 LYS 22 HG3 LYS 22 73.708 -9.674 4.178 173 HD2 LYS 22 HD2 LYS 22 72.726 -11.754 2.236 174 HD3 LYS 22 HD3 LYS 22 72.834 -12.142 3.952 175 HE2 LYS 22 HE2 LYS 22 71.384 -10.277 4.521 176 HE3 LYS 22 HE3 LYS 22 71.366 -9.731 2.844 177 HZ1 LYS 22 HZ1 LYS 22 70.370 -11.898 2.252 178 HZ2 LYS 22 HZ2 LYS 22 69.384 -10.962 3.271 179 HZ3 LYS 22 HZ3 LYS 22 70.260 -12.274 3.902 180 H GLY 23 H GLY 23 76.168 -12.375 2.275 181 HA2 GLY 23 HA2 GLY 23 75.537 -14.605 2.159 182 HA3 GLY 23 HA3 GLY 23 74.220 -14.152 1.083 183 H GLY 24 H GLY 24 77.372 -12.998 0.293 184 HA2 GLY 24 HA2 GLY 24 77.460 -14.867 -1.993 185 HA3 GLY 24 HA3 GLY 24 78.244 -13.295 -1.927 186 H LYS 25 H LYS 25 80.365 -13.656 -2.081 187 HA LYS 25 HA LYS 25 81.672 -15.247 -0.015 188 HB2 LYS 25 HB2 LYS 25 83.019 -16.499 -1.693 189 HB3 LYS 25 HB3 LYS 25 81.306 -16.917 -1.744 190 HG2 LYS 25 HG2 LYS 25 81.128 -15.069 -3.564 191 HG3 LYS 25 HG3 LYS 25 82.882 -15.208 -3.668 192 HD2 LYS 25 HD2 LYS 25 82.748 -17.524 -4.282 193 HD3 LYS 25 HD3 LYS 25 81.025 -17.587 -3.906 194 HE2 LYS 25 HE2 LYS 25 82.066 -15.661 -5.977 195 HE3 LYS 25 HE3 LYS 25 81.734 -17.339 -6.399 196 HZ1 LYS 25 HZ1 LYS 25 79.489 -17.107 -5.778 197 HZ2 LYS 25 HZ2 LYS 25 79.848 -15.740 -6.719 198 HZ3 LYS 25 HZ3 LYS 25 79.758 -15.610 -5.028 199 H HIS 26 H HIS 26 83.281 -14.034 0.736 200 HA HIS 26 HA HIS 26 84.216 -11.708 -0.643 201 HB2 HIS 26 HB2 HIS 26 86.075 -12.219 1.368 202 HB3 HIS 26 HB1 HIS 26 84.633 -11.219 1.523 203 HD1 HIS 26 HD1 HIS 26 82.392 -12.593 2.276 204 HD2 HIS 26 HD2 HIS 26 86.047 -14.471 2.982 205 HE1 HIS 26 HE1 HIS 26 81.943 -14.421 3.970 206 HE2 HIS 26 HE2 HIS 26 84.162 -15.574 4.412 207 H LYS 27 H LYS 27 85.753 -11.568 -2.138 208 HA LYS 27 HA LYS 27 87.699 -13.791 -2.387 209 HB2 LYS 27 HB2 LYS 27 85.987 -12.436 -4.359 210 HB3 LYS 27 HB3 LYS 27 87.674 -12.558 -4.854 211 HG2 LYS 27 HG2 LYS 27 87.621 -14.995 -4.366 212 HG3 LYS 27 HG3 LYS 27 85.913 -14.858 -3.948 213 HD2 LYS 27 HD2 LYS 27 86.881 -13.857 -6.618 214 HD3 LYS 27 HD3 LYS 27 86.590 -15.579 -6.382 215 HE2 LYS 27 HE2 LYS 27 84.285 -15.048 -5.592 216 HE3 LYS 27 HE3 LYS 27 84.583 -13.348 -5.949 217 HZ1 LYS 27 HZ1 LYS 27 84.024 -15.535 -7.741 218 HZ2 LYS 27 HZ2 LYS 27 85.321 -14.556 -8.236 219 HZ3 LYS 27 HZ3 LYS 27 83.792 -13.869 -7.957 220 H THR 28 H THR 28 89.799 -13.300 -2.313 221 HA THR 28 HA THR 28 91.627 -11.992 -1.716 222 HB THR 28 HB THR 28 90.770 -10.479 -4.187 223 HG1 THR 28 HG1 THR 28 92.147 -12.237 -5.139 224 HG21 THR 28 HG21 THR 28 93.382 -10.732 -4.470 225 HG22 THR 28 HG22 THR 28 93.350 -10.955 -2.723 226 HG23 THR 28 HG23 THR 28 92.728 -9.466 -3.434 227 H GLY 29 H GLY 29 89.036 -11.075 -0.594 228 HA2 GLY 29 HA2 GLY 29 89.881 -8.732 0.666 229 HA3 GLY 29 HA3 GLY 29 88.844 -8.256 -0.675 230 HA PRO 30 HA PRO 30 86.356 -9.834 3.076 231 HB2 PRO 30 HB2 PRO 30 85.848 -7.535 4.433 232 HB3 PRO 30 HB1 PRO 30 87.292 -8.522 4.737 233 HG2 PRO 30 HG2 PRO 30 87.016 -6.022 3.132 234 HG3 PRO 30 HG1 PRO 30 88.307 -6.511 4.245 235 HD2 PRO 30 HD2 PRO 30 88.518 -6.728 1.513 236 HD3 PRO 30 HD1 PRO 30 89.386 -7.784 2.650 237 H ASN 31 H ASN 31 84.064 -9.310 3.539 238 HA ASN 31 HA ASN 31 82.741 -8.283 1.146 239 HB2 ASN 31 HB2 ASN 31 80.786 -9.354 1.968 240 HB3 ASN 31 HB1 ASN 31 82.114 -10.455 2.323 241 HD21 ASN 31 HD21 ASN 31 82.336 -11.102 4.479 242 HD22 ASN 31 HD22 ASN 31 81.549 -10.362 5.788 243 H LEU 32 H LEU 32 81.813 -6.327 1.019 244 HA LEU 32 HA LEU 32 81.906 -4.543 3.308 245 HB2 LEU 32 HB2 LEU 32 80.790 -3.961 0.560 246 HB3 LEU 32 HB3 LEU 32 81.315 -2.799 1.769 247 HG LEU 32 HG LEU 32 82.989 -4.605 0.032 248 HD11 LEU 32 HD11 LEU 32 82.704 -2.410 -0.857 249 HD12 LEU 32 HD12 LEU 32 84.295 -2.395 -0.102 250 HD13 LEU 32 HD13 LEU 32 82.922 -1.657 0.720 251 HD21 LEU 32 HD21 LEU 32 84.941 -3.846 1.490 252 HD22 LEU 32 HD22 LEU 32 83.899 -5.077 2.198 253 HD23 LEU 32 HD23 LEU 32 83.745 -3.394 2.699 254 H HIS 33 H HIS 33 80.113 -6.761 3.560 255 HA HIS 33 HA HIS 33 77.434 -6.196 2.979 256 HB2 HIS 33 HB2 HIS 33 78.614 -7.666 5.347 257 HB3 HIS 33 HB1 HIS 33 76.908 -7.686 4.904 258 HD1 HIS 33 HD1 HIS 33 78.417 -10.331 4.866 259 HD2 HIS 33 HD2 HIS 33 78.141 -7.845 1.530 260 HE1 HIS 33 HE1 HIS 33 78.815 -11.800 2.843 261 HE2 HIS 33 HE2 HIS 33 78.646 -10.301 0.802 262 H GLY 34 H GLY 34 76.260 -4.480 3.540 263 HA2 GLY 34 HA2 GLY 34 75.554 -2.597 4.682 264 HA3 GLY 34 HA3 GLY 34 75.597 -3.674 6.077 265 H LEU 35 H LEU 35 78.233 -2.395 4.070 266 HA LEU 35 HA LEU 35 80.073 -1.972 6.089 267 HB2 LEU 35 HB2 LEU 35 80.523 -1.837 3.638 268 HB3 LEU 35 HB3 LEU 35 79.722 -0.269 3.612 269 HG LEU 35 HG LEU 35 81.431 0.279 5.561 270 HD11 LEU 35 HD11 LEU 35 83.054 -1.696 3.963 271 HD12 LEU 35 HD12 LEU 35 82.249 -2.163 5.458 272 HD13 LEU 35 HD13 LEU 35 83.483 -0.905 5.477 273 HD21 LEU 35 HD21 LEU 35 83.162 0.727 3.567 274 HD22 LEU 35 HD22 LEU 35 81.681 1.659 3.751 275 HD23 LEU 35 HD23 LEU 35 81.744 0.329 2.596 276 H PHE 36 H PHE 36 77.972 0.499 4.631 277 HA PHE 36 HA PHE 36 78.583 2.656 6.215 278 HB2 PHE 36 HB2 PHE 36 75.762 2.000 5.355 279 HB3 PHE 36 HB1 PHE 36 76.487 3.594 5.572 280 HD1 PHE 36 HD2 PHE 36 76.499 0.537 3.466 281 HD2 PHE 36 HD1 PHE 36 77.870 4.590 3.868 282 HE1 PHE 36 HE2 PHE 36 77.286 0.505 1.117 283 HE2 PHE 36 HE1 PHE 36 78.649 4.558 1.524 284 HZ PHE 36 HZ PHE 36 78.358 2.519 0.141 285 H GLY 37 H GLY 37 78.998 2.124 8.349 286 HA2 GLY 37 HA2 GLY 37 77.618 2.603 10.440 287 HA3 GLY 37 HA3 GLY 37 76.711 1.170 9.967 288 H ARG 38 H ARG 38 79.185 -0.130 8.944 289 HA ARG 38 HA ARG 38 79.963 -1.419 11.394 290 HB2 ARG 38 HB2 ARG 38 80.274 -1.867 8.516 291 HB3 ARG 38 HB3 ARG 38 81.729 -2.278 9.419 292 HG2 ARG 38 HG2 ARG 38 80.272 -3.632 10.980 293 HG3 ARG 38 HG3 ARG 38 78.933 -3.356 9.864 294 HD2 ARG 38 HD2 ARG 38 81.556 -4.736 9.234 295 HD3 ARG 38 HD3 ARG 38 79.971 -5.494 9.335 296 HE ARG 38 HE ARG 38 79.791 -3.468 7.418 297 HH11 ARG 38 HH21 ARG 38 81.492 -6.425 7.990 298 HH12 ARG 38 HH22 ARG 38 81.693 -6.797 6.310 299 HH21 ARG 38 HH11 ARG 38 80.054 -3.948 5.210 300 HH22 ARG 38 HH12 ARG 38 80.879 -5.397 4.740 301 H LYS 39 H LYS 39 81.877 -1.262 12.507 302 HA LYS 39 HA LYS 39 83.375 1.146 12.275 303 HB2 LYS 39 HB2 LYS 39 83.235 -1.117 14.083 304 HB3 LYS 39 HB3 LYS 39 84.914 -0.695 13.760 305 HG2 LYS 39 HG2 LYS 39 82.873 1.418 14.469 306 HG3 LYS 39 HG3 LYS 39 83.718 0.507 15.719 307 HD2 LYS 39 HD2 LYS 39 85.895 1.196 14.593 308 HD3 LYS 39 HD3 LYS 39 84.936 2.303 13.611 309 HE2 LYS 39 HE2 LYS 39 85.330 2.327 16.603 310 HE3 LYS 39 HE3 LYS 39 85.666 3.616 15.447 311 HZ1 LYS 39 HZ1 LYS 39 83.661 4.200 16.472 312 HZ2 LYS 39 HZ2 LYS 39 83.035 2.624 16.369 313 HZ3 LYS 39 HZ3 LYS 39 83.201 3.569 14.967 314 H THR 40 H THR 40 85.949 0.856 12.244 315 HA THR 40 HA THR 40 86.527 -0.210 9.609 316 HB THR 40 HB THR 40 88.843 0.728 10.144 317 HG1 THR 40 HG1 THR 40 87.450 1.990 12.247 318 HG21 THR 40 HG21 THR 40 87.803 3.160 10.201 319 HG22 THR 40 HG22 THR 40 86.292 2.287 9.947 320 HG23 THR 40 HG23 THR 40 87.606 2.137 8.780 321 H GLY 41 H GLY 41 87.654 -1.989 9.120 322 HA2 GLY 41 HA2 GLY 41 88.643 -4.042 9.355 323 HA3 GLY 41 HA3 GLY 41 89.606 -3.275 10.605 324 H GLN 42 H GLN 42 86.142 -4.194 10.408 325 HA GLN 42 HA GLN 42 86.579 -5.916 12.773 326 HB2 GLN 42 HB2 GLN 42 84.196 -5.138 13.446 327 HB3 GLN 42 HB1 GLN 42 85.557 -4.068 13.780 328 HG2 GLN 42 HG2 GLN 42 83.683 -2.837 12.754 329 HG3 GLN 42 HG1 GLN 42 85.106 -2.826 11.714 330 HE21 GLN 42 HE21 GLN 42 84.819 -3.592 9.613 331 HE22 GLN 42 HE22 GLN 42 83.453 -4.442 9.075 332 H ALA 43 H ALA 43 85.810 -5.913 9.633 333 HA ALA 43 HA ALA 43 83.397 -7.433 9.581 334 HB1 ALA 43 HB1 ALA 43 84.841 -8.018 7.244 335 HB2 ALA 43 HB2 ALA 43 85.300 -6.372 7.676 336 HB3 ALA 43 HB3 ALA 43 83.603 -6.777 7.438 337 HA PRO 44 HA PRO 44 85.347 -11.294 10.738 338 HB2 PRO 44 HB2 PRO 44 83.202 -12.929 10.477 339 HB3 PRO 44 HB1 PRO 44 83.333 -11.748 11.798 340 HG2 PRO 44 HG2 PRO 44 81.783 -11.577 9.256 341 HG3 PRO 44 HG1 PRO 44 81.322 -11.082 10.893 342 HD2 PRO 44 HD2 PRO 44 82.227 -9.324 8.968 343 HD3 PRO 44 HD1 PRO 44 82.379 -9.040 10.718 344 H GLY 45 H GLY 45 86.807 -11.971 9.213 345 HA2 GLY 45 HA2 GLY 45 86.370 -14.009 7.457 346 HA3 GLY 45 HA3 GLY 45 86.031 -12.573 6.499 347 H PHE 46 H PHE 46 87.714 -11.121 6.014 348 HA PHE 46 HA PHE 46 90.280 -12.330 5.696 349 HB2 PHE 46 HB2 PHE 46 89.334 -10.690 4.096 350 HB3 PHE 46 HB1 PHE 46 89.476 -9.436 5.327 351 HD1 PHE 46 HD1 PHE 46 91.479 -11.980 3.456 352 HD2 PHE 46 HD2 PHE 46 91.501 -8.262 5.607 353 HE1 PHE 46 HE1 PHE 46 93.847 -11.623 2.815 354 HE2 PHE 46 HE2 PHE 46 93.870 -7.905 4.966 355 HZ PHE 46 HZ PHE 46 95.043 -9.585 3.569 356 H THR 47 H THR 47 92.288 -11.618 6.553 357 HA THR 47 HA THR 47 92.142 -10.911 9.357 358 HB THR 47 HB THR 47 94.556 -11.390 7.595 359 HG1 THR 47 HG1 THR 47 94.272 -13.439 8.014 360 HG21 THR 47 HG21 THR 47 95.613 -11.878 9.842 361 HG22 THR 47 HG22 THR 47 94.169 -11.193 10.589 362 HG23 THR 47 HG23 THR 47 95.200 -10.185 9.572 363 H TYR 48 H TYR 48 91.320 -8.771 9.221 364 HA TYR 48 HA TYR 48 92.407 -6.666 7.735 365 HB2 TYR 48 HB2 TYR 48 90.905 -6.795 10.339 366 HB3 TYR 48 HB3 TYR 48 91.481 -5.254 9.705 367 HD1 TYR 48 HD1 TYR 48 90.707 -4.446 7.485 368 HD2 TYR 48 HD2 TYR 48 89.057 -7.954 9.326 369 HE1 TYR 48 HE1 TYR 48 88.772 -4.341 5.942 370 HE2 TYR 48 HE2 TYR 48 87.119 -7.851 7.783 371 HH TYR 48 HH TYR 48 86.243 -5.232 6.119 372 H THR 49 H THR 49 93.821 -4.950 8.334 373 HA THR 49 HA THR 49 96.113 -5.853 9.865 374 HB THR 49 HB THR 49 97.144 -3.752 9.130 375 HG1 THR 49 HG1 THR 49 95.970 -2.158 8.407 376 HG21 THR 49 HG21 THR 49 96.807 -5.816 7.592 377 HG22 THR 49 HG22 THR 49 97.282 -4.292 6.842 378 HG23 THR 49 HG23 THR 49 95.601 -4.822 6.775 379 H ASP 50 H ASP 50 97.030 -4.663 11.641 380 HA ASP 50 HA ASP 50 95.318 -4.120 13.740 381 HB2 ASP 50 HB2 ASP 50 97.697 -4.488 14.079 382 HB3 ASP 50 HB1 ASP 50 98.076 -2.986 13.237 383 H ALA 51 H ALA 51 96.683 -1.840 11.392 384 HA ALA 51 HA ALA 51 95.813 0.556 12.502 385 HB1 ALA 51 HB1 ALA 51 95.697 1.320 10.055 386 HB2 ALA 51 HB2 ALA 51 96.188 -0.324 9.646 387 HB3 ALA 51 HB3 ALA 51 97.245 0.694 10.627 388 H ASN 52 H ASN 52 94.099 -1.475 10.117 389 HA ASN 52 HA ASN 52 91.721 0.117 10.249 390 HB2 ASN 52 HB2 ASN 52 92.707 -1.677 8.449 391 HB3 ASN 52 HB1 ASN 52 91.498 -2.666 9.262 392 HD21 ASN 52 HD21 ASN 52 90.322 -2.561 7.115 393 HD22 ASN 52 HD22 ASN 52 89.374 -1.193 6.776 394 H LYS 53 H LYS 53 92.963 -2.581 12.022 395 HA LYS 53 HA LYS 53 90.389 -3.315 13.150 396 HB2 LYS 53 HB2 LYS 53 91.644 -5.230 13.094 397 HB3 LYS 53 HB3 LYS 53 93.167 -4.360 13.214 398 HG2 LYS 53 HG2 LYS 53 92.865 -4.039 15.599 399 HG3 LYS 53 HG3 LYS 53 91.242 -4.726 15.525 400 HD2 LYS 53 HD2 LYS 53 93.766 -6.233 14.779 401 HD3 LYS 53 HD3 LYS 53 92.979 -6.342 16.352 402 HE2 LYS 53 HE2 LYS 53 90.838 -6.874 14.846 403 HE3 LYS 53 HE3 LYS 53 92.076 -7.403 13.705 404 HZ1 LYS 53 HZ1 LYS 53 92.955 -8.899 15.310 405 HZ2 LYS 53 HZ2 LYS 53 91.278 -9.161 15.235 406 HZ3 LYS 53 HZ3 LYS 53 91.947 -8.292 16.532 407 H ASN 54 H ASN 54 92.702 -0.955 13.601 408 HA ASN 54 HA ASN 54 92.768 -0.682 16.418 409 HB2 ASN 54 HB2 ASN 54 93.900 1.283 16.014 410 HB3 ASN 54 HB1 ASN 54 94.166 0.458 14.486 411 HD21 ASN 54 HD21 ASN 54 91.517 0.870 13.374 412 HD22 ASN 54 HD22 ASN 54 91.341 2.530 13.071 413 H LYS 55 H LYS 55 90.384 -0.075 14.074 414 HA LYS 55 HA LYS 55 88.269 0.835 14.154 415 HB2 LYS 55 HB2 LYS 55 88.735 0.189 17.063 416 HB3 LYS 55 HB3 LYS 55 87.209 0.850 16.476 417 HG2 LYS 55 HG2 LYS 55 86.934 -1.029 14.945 418 HG3 LYS 55 HG3 LYS 55 88.510 -1.673 15.403 419 HD2 LYS 55 HD2 LYS 55 86.578 -1.168 17.622 420 HD3 LYS 55 HD3 LYS 55 86.210 -2.514 16.545 421 HE2 LYS 55 HE2 LYS 55 87.574 -3.285 18.439 422 HE3 LYS 55 HE3 LYS 55 88.476 -3.435 16.931 423 HZ1 LYS 55 HZ1 LYS 55 88.686 -1.035 18.644 424 HZ2 LYS 55 HZ2 LYS 55 89.742 -1.553 17.417 425 HZ3 LYS 55 HZ3 LYS 55 89.668 -2.395 18.892 426 H GLY 56 H GLY 56 89.726 2.809 13.563 427 HA2 GLY 56 HA2 GLY 56 89.865 4.865 15.601 428 HA3 GLY 56 HA3 GLY 56 90.361 5.025 13.920 429 H ILE 57 H ILE 57 87.980 4.261 12.646 430 HA ILE 57 HA ILE 57 85.891 6.037 13.677 431 HB ILE 57 HB ILE 57 85.720 7.316 11.631 432 HG12 ILE 57 HG12 ILE 57 87.690 6.993 9.951 433 HG13 ILE 57 HG13 ILE 57 87.870 5.409 10.699 434 HG21 ILE 57 HG21 ILE 57 88.634 7.235 12.446 435 HG22 ILE 57 HG22 ILE 57 87.372 7.989 13.421 436 HG23 ILE 57 HG23 ILE 57 87.737 8.616 11.814 437 HD11 ILE 57 HD11 ILE 57 86.155 6.014 8.610 438 HD12 ILE 57 HD12 ILE 57 85.081 6.025 10.004 439 HD13 ILE 57 HD13 ILE 57 86.041 4.592 9.641 440 H THR 58 H THR 58 83.909 5.911 12.219 441 HA THR 58 HA THR 58 83.553 3.094 11.434 442 HB THR 58 HB THR 58 81.594 5.216 12.305 443 HG1 THR 58 HG1 THR 58 81.629 4.146 14.118 444 HG21 THR 58 HG21 THR 58 80.422 4.024 10.625 445 HG22 THR 58 HG22 THR 58 79.953 3.245 12.136 446 HG23 THR 58 HG23 THR 58 81.155 2.489 11.091 447 H TRP 59 H TRP 59 82.793 2.495 9.469 448 HA TRP 59 HA TRP 59 83.198 4.211 7.248 449 HB2 TRP 59 HB2 TRP 59 81.667 1.605 7.440 450 HB3 TRP 59 HB1 TRP 59 82.133 2.400 5.938 451 HD1 TRP 59 HD1 TRP 59 83.276 -0.196 8.185 452 HE1 TRP 59 HE1 TRP 59 85.784 -0.691 7.868 453 HE3 TRP 59 HE3 TRP 59 84.651 3.906 5.470 454 HZ2 TRP 59 HZ2 TRP 59 88.072 0.494 6.631 455 HZ3 TRP 59 HZ3 TRP 59 86.998 4.196 4.738 456 HH2 TRP 59 HH2 TRP 59 88.710 2.498 5.313 457 H LYS 60 H LYS 60 81.768 5.307 5.963 458 HA LYS 60 HA LYS 60 78.911 5.201 6.439 459 HB2 LYS 60 HB2 LYS 60 80.529 7.674 7.108 460 HB3 LYS 60 HB3 LYS 60 78.778 7.666 6.905 461 HG2 LYS 60 HG2 LYS 60 78.725 5.819 8.676 462 HG3 LYS 60 HG3 LYS 60 80.409 6.224 9.004 463 HD2 LYS 60 HD2 LYS 60 78.264 8.349 8.999 464 HD3 LYS 60 HD3 LYS 60 78.604 7.391 10.439 465 HE2 LYS 60 HE2 LYS 60 81.003 8.068 10.273 466 HE3 LYS 60 HE3 LYS 60 80.579 9.118 8.922 467 HZ1 LYS 60 HZ1 LYS 60 80.136 10.654 10.443 468 HZ2 LYS 60 HZ2 LYS 60 80.229 9.540 11.722 469 HZ3 LYS 60 HZ3 LYS 60 78.772 9.743 10.872 470 H GLU 61 H GLU 61 78.304 7.669 5.179 471 HA GLU 61 HA GLU 61 78.807 6.936 2.446 472 HB2 GLU 61 HB2 GLU 61 76.681 8.012 3.355 473 HB3 GLU 61 HB3 GLU 61 77.587 9.523 3.412 474 HG2 GLU 61 HG2 GLU 61 78.108 9.275 0.994 475 HG3 GLU 61 HG3 GLU 61 77.125 7.812 0.952 476 H GLU 62 H GLU 62 79.520 9.893 4.328 477 HA GLU 62 HA GLU 62 81.270 10.970 2.357 478 HB2 GLU 62 HB2 GLU 62 81.076 11.611 5.311 479 HB3 GLU 62 HB3 GLU 62 81.869 12.603 4.086 480 HG2 GLU 62 HG2 GLU 62 79.795 13.032 2.964 481 HG3 GLU 62 HG3 GLU 62 78.954 11.814 3.920 482 H THR 63 H THR 63 81.870 9.289 5.444 483 HA THR 63 HA THR 63 84.634 9.420 5.521 484 HB THR 63 HB THR 63 84.561 7.311 6.794 485 HG1 THR 63 HG1 THR 63 82.710 6.137 6.872 486 HG21 THR 63 HG21 THR 63 82.371 9.321 7.314 487 HG22 THR 63 HG22 THR 63 83.979 9.260 8.036 488 HG23 THR 63 HG23 THR 63 82.779 8.036 8.451 489 H LEU 64 H LEU 64 82.538 7.333 3.633 490 HA LEU 64 HA LEU 64 84.598 5.647 2.625 491 HB2 LEU 64 HB2 LEU 64 81.731 6.052 2.158 492 HB3 LEU 64 HB3 LEU 64 82.611 5.598 0.707 493 HG LEU 64 HG LEU 64 82.825 4.103 3.333 494 HD11 LEU 64 HD11 LEU 64 80.710 3.425 2.806 495 HD12 LEU 64 HD12 LEU 64 81.531 2.407 1.623 496 HD13 LEU 64 HD13 LEU 64 80.846 3.954 1.132 497 HD21 LEU 64 HD21 LEU 64 84.703 3.406 2.199 498 HD22 LEU 64 HD22 LEU 64 84.052 3.851 0.623 499 HD23 LEU 64 HD23 LEU 64 83.543 2.350 1.396 500 H MET 65 H MET 65 83.161 8.698 1.562 501 HA MET 65 HA MET 65 84.251 8.804 -1.024 502 HB2 MET 65 HB2 MET 65 83.742 11.093 0.890 503 HB3 MET 65 HB1 MET 65 84.010 11.252 -0.845 504 HG2 MET 65 HG2 MET 65 82.012 9.991 -1.339 505 HG3 MET 65 HG1 MET 65 81.794 9.585 0.360 506 HE1 MET 65 HE1 MET 65 80.346 13.152 -1.906 507 HE2 MET 65 HE2 MET 65 80.229 11.422 -2.220 508 HE3 MET 65 HE3 MET 65 81.786 12.234 -2.369 509 H GLU 66 H GLU 66 85.567 10.302 1.945 510 HA GLU 66 HA GLU 66 87.995 11.132 0.789 511 HB2 GLU 66 HB2 GLU 66 87.542 10.344 3.677 512 HB3 GLU 66 HB3 GLU 66 88.788 11.426 3.055 513 HG2 GLU 66 HG2 GLU 66 86.886 12.866 2.139 514 HG3 GLU 66 HG3 GLU 66 85.801 11.885 3.124 515 H TYR 67 H TYR 67 86.926 8.076 2.057 516 HA TYR 67 HA TYR 67 89.557 6.894 2.178 517 HB2 TYR 67 HB2 TYR 67 87.907 6.034 3.680 518 HB3 TYR 67 HB3 TYR 67 86.761 5.776 2.369 519 HD1 TYR 67 HD1 TYR 67 89.848 4.548 3.970 520 HD2 TYR 67 HD2 TYR 67 86.969 3.890 0.849 521 HE1 TYR 67 HE1 TYR 67 90.742 2.260 3.627 522 HE2 TYR 67 HE2 TYR 67 87.865 1.605 0.505 523 HH TYR 67 HH TYR 67 89.388 0.119 1.113 524 H LEU 68 H LEU 68 87.027 7.244 -0.180 525 HA LEU 68 HA LEU 68 87.938 5.148 -1.914 526 HB2 LEU 68 HB2 LEU 68 85.898 7.334 -2.079 527 HB3 LEU 68 HB3 LEU 68 86.396 6.522 -3.558 528 HG LEU 68 HG LEU 68 85.319 5.143 -1.081 529 HD11 LEU 68 HD11 LEU 68 83.391 4.639 -2.583 530 HD12 LEU 68 HD12 LEU 68 84.095 5.712 -3.792 531 HD13 LEU 68 HD13 LEU 68 83.572 6.358 -2.240 532 HD21 LEU 68 HD21 LEU 68 85.114 3.375 -3.149 533 HD22 LEU 68 HD22 LEU 68 86.442 3.392 -1.992 534 HD23 LEU 68 HD23 LEU 68 86.623 4.184 -3.556 535 H GLU 69 H GLU 69 88.788 8.493 -1.472 536 HA GLU 69 HA GLU 69 90.147 8.574 -4.079 537 HB2 GLU 69 HB2 GLU 69 90.407 10.913 -3.740 538 HB3 GLU 69 HB3 GLU 69 88.770 10.519 -3.227 539 HG2 GLU 69 HG2 GLU 69 89.384 11.721 -1.372 540 HG3 GLU 69 HG3 GLU 69 90.046 10.166 -0.879 541 H ASN 70 H ASN 70 90.770 7.679 -0.932 542 HA ASN 70 HA ASN 70 93.555 7.285 -1.433 543 HB2 ASN 70 HB2 ASN 70 94.455 8.731 0.307 544 HB3 ASN 70 HB1 ASN 70 93.597 9.697 -0.888 545 HD21 ASN 70 HD21 ASN 70 93.471 8.506 2.451 546 HD22 ASN 70 HD22 ASN 70 92.195 9.512 2.939 547 HA PRO 71 HA PRO 71 91.167 4.453 1.458 548 HB2 PRO 71 HB2 PRO 71 93.008 2.601 0.004 549 HB3 PRO 71 HB1 PRO 71 91.298 2.391 0.427 550 HG2 PRO 71 HG2 PRO 71 92.058 2.976 -2.061 551 HG3 PRO 71 HG1 PRO 71 90.563 3.627 -1.365 552 HD2 PRO 71 HD2 PRO 71 93.151 5.015 -1.895 553 HD3 PRO 71 HD1 PRO 71 91.497 5.667 -1.890 554 H LYS 72 H LYS 72 94.630 4.354 0.597 555 HA LYS 72 HA LYS 72 95.414 3.210 3.106 556 HB2 LYS 72 HB2 LYS 72 96.682 2.851 1.025 557 HB3 LYS 72 HB3 LYS 72 97.089 4.564 0.986 558 HG2 LYS 72 HG2 LYS 72 98.977 3.651 2.024 559 HG3 LYS 72 HG3 LYS 72 98.008 4.137 3.411 560 HD2 LYS 72 HD2 LYS 72 98.586 1.949 3.988 561 HD3 LYS 72 HD3 LYS 72 97.016 1.706 3.227 562 HE2 LYS 72 HE2 LYS 72 98.354 0.084 2.189 563 HE3 LYS 72 HE3 LYS 72 98.388 1.411 1.029 564 HZ1 LYS 72 HZ1 LYS 72 100.426 1.160 3.154 565 HZ2 LYS 72 HZ2 LYS 72 100.506 2.050 1.710 566 HZ3 LYS 72 HZ3 LYS 72 100.593 0.354 1.671 567 H LYS 73 H LYS 73 95.738 6.479 1.697 568 HA LYS 73 HA LYS 73 97.114 7.608 3.857 569 HB2 LYS 73 HB2 LYS 73 96.447 8.531 1.437 570 HB3 LYS 73 HB3 LYS 73 95.187 9.330 2.378 571 HG2 LYS 73 HG2 LYS 73 96.966 10.191 3.924 572 HG3 LYS 73 HG3 LYS 73 98.177 9.501 2.846 573 HD2 LYS 73 HD2 LYS 73 98.071 11.661 2.005 574 HD3 LYS 73 HD3 LYS 73 96.851 10.879 1.002 575 HE2 LYS 73 HE2 LYS 73 95.724 12.789 1.755 576 HE3 LYS 73 HE3 LYS 73 95.203 11.572 2.920 577 HZ1 LYS 73 HZ1 LYS 73 97.452 12.449 4.055 578 HZ2 LYS 73 HZ2 LYS 73 95.913 13.084 4.397 579 HZ3 LYS 73 HZ3 LYS 73 96.932 13.869 3.287 580 H TYR 74 H TYR 74 93.776 6.729 3.577 581 HA TYR 74 HA TYR 74 92.806 8.529 5.597 582 HB2 TYR 74 HB2 TYR 74 91.531 7.131 3.713 583 HB3 TYR 74 HB3 TYR 74 91.387 5.964 5.024 584 HD1 TYR 74 HD1 TYR 74 91.094 9.686 4.546 585 HD2 TYR 74 HD2 TYR 74 89.475 6.138 6.354 586 HE1 TYR 74 HE1 TYR 74 89.253 11.024 5.526 587 HE2 TYR 74 HE2 TYR 74 87.636 7.480 7.334 588 HH TYR 74 HH TYR 74 87.671 10.642 7.725 589 H ILE 75 H ILE 75 93.346 4.999 5.574 590 HA ILE 75 HA ILE 75 93.929 5.157 8.475 591 HB ILE 75 HB ILE 75 92.493 2.920 7.018 592 HG12 ILE 75 HG12 ILE 75 91.403 4.724 9.188 593 HG13 ILE 75 HG13 ILE 75 91.249 5.135 7.481 594 HG21 ILE 75 HG21 ILE 75 93.524 3.283 9.828 595 HG22 ILE 75 HG22 ILE 75 93.660 1.877 8.774 596 HG23 ILE 75 HG23 ILE 75 92.116 2.267 9.525 597 HD11 ILE 75 HD11 ILE 75 90.181 2.653 8.858 598 HD12 ILE 75 HD12 ILE 75 90.169 2.889 7.110 599 HD13 ILE 75 HD13 ILE 75 89.236 3.963 8.151 600 HA PRO 76 HA PRO 76 97.660 3.765 5.957 601 HB2 PRO 76 HB2 PRO 76 98.714 4.625 8.634 602 HB3 PRO 76 HB1 PRO 76 99.415 4.863 7.020 603 HG2 PRO 76 HG2 PRO 76 98.138 6.832 8.288 604 HG3 PRO 76 HG1 PRO 76 98.028 6.630 6.531 605 HD2 PRO 76 HD2 PRO 76 95.963 6.120 8.602 606 HD3 PRO 76 HD1 PRO 76 95.762 6.479 6.874 607 H GLY 77 H GLY 77 98.253 1.683 5.933 608 HA2 GLY 77 HA2 GLY 77 99.295 -0.170 7.190 609 HA3 GLY 77 HA3 GLY 77 98.089 0.111 8.442 610 H THR 78 H THR 78 95.924 0.584 6.529 611 HA THR 78 HA THR 78 94.852 -1.981 6.323 612 HB THR 78 HB THR 78 93.527 0.110 6.181 613 HG1 THR 78 HG1 THR 78 93.367 -1.742 4.047 614 HG21 THR 78 HG21 THR 78 94.503 0.267 3.331 615 HG22 THR 78 HG22 THR 78 95.232 1.204 4.636 616 HG23 THR 78 HG23 THR 78 93.537 1.449 4.214 617 H LYS 79 H LYS 79 94.690 -3.478 4.648 618 HA LYS 79 HA LYS 79 96.840 -3.290 2.659 619 HB2 LYS 79 HB2 LYS 79 96.206 -5.351 4.214 620 HB3 LYS 79 HB3 LYS 79 95.089 -5.704 2.899 621 HG2 LYS 79 HG2 LYS 79 98.091 -5.341 2.671 622 HG3 LYS 79 HG3 LYS 79 97.195 -6.845 2.465 623 HD2 LYS 79 HD2 LYS 79 95.924 -5.662 0.584 624 HD3 LYS 79 HD3 LYS 79 97.153 -4.401 0.684 625 HE2 LYS 79 HE2 LYS 79 98.367 -5.671 -0.748 626 HE3 LYS 79 HE3 LYS 79 98.648 -6.751 0.617 627 HZ1 LYS 79 HZ1 LYS 79 97.618 -7.675 -1.545 628 HZ2 LYS 79 HZ2 LYS 79 96.176 -6.991 -0.962 629 HZ3 LYS 79 HZ3 LYS 79 96.988 -8.174 -0.051 630 H MET 80 H MET 80 95.981 -1.845 1.153 631 HA MET 80 HA MET 80 94.314 -3.001 -0.852 632 HB2 MET 80 HB2 MET 80 92.504 -2.450 0.668 633 HB3 MET 80 HB1 MET 80 93.112 -0.804 0.850 634 HG2 MET 80 HG2 MET 80 92.607 -0.262 -1.420 635 HG3 MET 80 HG1 MET 80 92.334 -1.953 -1.838 636 HE1 MET 80 HE1 MET 80 89.054 0.593 -1.671 637 HE2 MET 80 HE2 MET 80 90.241 -0.046 -2.805 638 HE3 MET 80 HE3 MET 80 90.733 1.143 -1.602 639 H ILE 81 H ILE 81 95.916 -2.407 -2.270 640 HA ILE 81 HA ILE 81 96.197 0.498 -2.766 641 HB ILE 81 HB ILE 81 98.340 -1.640 -2.864 642 HG12 ILE 81 HG12 ILE 81 99.471 0.121 -1.367 643 HG13 ILE 81 HG13 ILE 81 97.884 0.875 -1.237 644 HG21 ILE 81 HG21 ILE 81 99.779 0.366 -3.577 645 HG22 ILE 81 HG22 ILE 81 98.260 1.171 -3.974 646 HG23 ILE 81 HG23 ILE 81 98.714 -0.317 -4.806 647 HD11 ILE 81 HD11 ILE 81 97.224 -0.640 0.291 648 HD12 ILE 81 HD12 ILE 81 98.878 -1.244 0.323 649 HD13 ILE 81 HD13 ILE 81 97.691 -1.985 -0.749 650 H PHE 82 H PHE 82 95.503 1.048 -4.729 651 HA PHE 82 HA PHE 82 96.053 -0.587 -7.045 652 HB2 PHE 82 HB2 PHE 82 94.072 -1.745 -6.249 653 HB3 PHE 82 HB1 PHE 82 93.200 -0.221 -6.097 654 HD1 PHE 82 HD1 PHE 82 95.066 -2.275 -8.615 655 HD2 PHE 82 HD2 PHE 82 91.919 0.559 -7.900 656 HE1 PHE 82 HE1 PHE 82 94.381 -2.435 -10.994 657 HE2 PHE 82 HE2 PHE 82 91.234 0.399 -10.278 658 HZ PHE 82 HZ PHE 82 92.465 -1.099 -11.825 659 H ALA 83 H ALA 83 93.389 1.683 -6.419 660 HA ALA 83 HA ALA 83 94.735 3.955 -7.504 661 HB1 ALA 83 HB1 ALA 83 92.702 2.603 -9.295 662 HB2 ALA 83 HB2 ALA 83 94.440 2.664 -9.591 663 HB3 ALA 83 HB3 ALA 83 93.490 4.150 -9.602 664 H GLY 84 H GLY 84 93.830 5.566 -6.410 665 HA2 GLY 84 HA2 GLY 84 91.245 5.319 -5.177 666 HA3 GLY 84 HA3 GLY 84 92.295 6.732 -5.130 667 H ILE 85 H ILE 85 89.670 7.219 -5.391 668 HA ILE 85 HA ILE 85 88.893 7.405 -8.181 669 HB ILE 85 HB ILE 85 87.643 8.421 -5.624 670 HG12 ILE 85 HG12 ILE 85 87.758 5.880 -6.344 671 HG13 ILE 85 HG13 ILE 85 86.250 6.552 -5.731 672 HG21 ILE 85 HG21 ILE 85 86.875 9.941 -7.262 673 HG22 ILE 85 HG22 ILE 85 85.616 8.707 -7.205 674 HG23 ILE 85 HG23 ILE 85 86.802 8.693 -8.508 675 HD11 ILE 85 HD11 ILE 85 86.211 5.147 -7.937 676 HD12 ILE 85 HD12 ILE 85 86.812 6.628 -8.682 677 HD13 ILE 85 HD13 ILE 85 85.261 6.629 -7.842 678 H LYS 86 H LYS 86 88.360 9.465 -9.210 679 HA LYS 86 HA LYS 86 90.320 11.541 -8.487 680 HB2 LYS 86 HB2 LYS 86 88.855 10.937 -11.058 681 HB3 LYS 86 HB3 LYS 86 89.864 12.364 -10.823 682 HG2 LYS 86 HG2 LYS 86 91.780 10.889 -10.249 683 HG3 LYS 86 HG3 LYS 86 90.767 9.480 -10.568 684 HD2 LYS 86 HD2 LYS 86 90.577 10.008 -12.880 685 HD3 LYS 86 HD3 LYS 86 91.193 11.643 -12.636 686 HE2 LYS 86 HE2 LYS 86 93.401 10.778 -12.079 687 HE3 LYS 86 HE3 LYS 86 92.807 9.119 -12.167 688 HZ1 LYS 86 HZ1 LYS 86 92.087 10.271 -14.551 689 HZ2 LYS 86 HZ2 LYS 86 93.355 9.169 -14.301 690 HZ3 LYS 86 HZ3 LYS 86 93.658 10.841 -14.267 691 H LYS 87 H LYS 87 87.109 11.605 -10.072 692 HA LYS 87 HA LYS 87 86.576 14.215 -8.933 693 HB2 LYS 87 HB2 LYS 87 84.764 12.425 -10.564 694 HB3 LYS 87 HB3 LYS 87 84.530 14.142 -10.243 695 HG2 LYS 87 HG2 LYS 87 86.983 13.042 -11.639 696 HG3 LYS 87 HG3 LYS 87 85.552 13.599 -12.505 697 HD2 LYS 87 HD2 LYS 87 85.826 15.792 -11.152 698 HD3 LYS 87 HD3 LYS 87 87.452 15.207 -10.798 699 HE2 LYS 87 HE2 LYS 87 87.873 14.974 -13.237 700 HE3 LYS 87 HE3 LYS 87 86.273 15.643 -13.557 701 HZ1 LYS 87 HZ1 LYS 87 88.120 17.126 -11.822 702 HZ2 LYS 87 HZ2 LYS 87 86.884 17.709 -12.832 703 HZ3 LYS 87 HZ3 LYS 87 88.354 17.181 -13.501 704 H LYS 88 H LYS 88 84.530 14.688 -7.813 705 HA LYS 88 HA LYS 88 84.202 12.985 -5.539 706 HB2 LYS 88 HB2 LYS 88 83.921 15.512 -5.578 707 HB3 LYS 88 HB3 LYS 88 82.364 15.235 -6.362 708 HG2 LYS 88 HG2 LYS 88 81.774 13.701 -4.431 709 HG3 LYS 88 HG3 LYS 88 83.238 14.266 -3.628 710 HD2 LYS 88 HD2 LYS 88 81.718 15.780 -2.758 711 HD3 LYS 88 HD3 LYS 88 82.213 16.660 -4.203 712 HE2 LYS 88 HE2 LYS 88 80.274 15.677 -5.426 713 HE3 LYS 88 HE3 LYS 88 79.761 14.894 -3.932 714 HZ1 LYS 88 HZ1 LYS 88 79.755 17.173 -2.922 715 HZ2 LYS 88 HZ2 LYS 88 78.558 16.898 -4.096 716 HZ3 LYS 88 HZ3 LYS 88 79.945 17.799 -4.486 717 H THR 89 H THR 89 82.031 13.890 -8.231 718 HA THR 89 HA THR 89 79.848 12.324 -7.548 719 HB THR 89 HB THR 89 79.349 12.249 -9.990 720 HG1 THR 89 HG1 THR 89 82.003 12.757 -10.064 721 HG21 THR 89 HG21 THR 89 79.009 14.620 -10.201 722 HG22 THR 89 HG22 THR 89 80.340 14.966 -9.096 723 HG23 THR 89 HG23 THR 89 78.858 14.229 -8.488 724 H GLU 90 H GLU 90 82.947 11.371 -8.799 725 HA GLU 90 HA GLU 90 82.187 8.777 -9.716 726 HB2 GLU 90 HB2 GLU 90 84.816 10.019 -8.916 727 HB3 GLU 90 HB3 GLU 90 84.697 8.314 -9.341 728 HG2 GLU 90 HG2 GLU 90 83.982 8.800 -11.547 729 HG3 GLU 90 HG3 GLU 90 83.612 10.476 -11.144 730 H ARG 91 H ARG 91 83.223 10.160 -6.661 731 HA ARG 91 HA ARG 91 83.371 7.628 -5.276 732 HB2 ARG 91 HB2 ARG 91 83.181 10.445 -4.166 733 HB3 ARG 91 HB3 ARG 91 83.642 9.001 -3.266 734 HG2 ARG 91 HG2 ARG 91 85.550 8.699 -4.877 735 HG3 ARG 91 HG3 ARG 91 85.145 10.271 -5.564 736 HD2 ARG 91 HD2 ARG 91 85.234 10.685 -2.779 737 HD3 ARG 91 HD3 ARG 91 86.627 9.672 -3.142 738 HE ARG 91 HE ARG 91 86.724 11.614 -5.063 739 HH11 ARG 91 HH21 ARG 91 86.481 11.576 -1.607 740 HH12 ARG 91 HH22 ARG 91 87.305 13.085 -1.397 741 HH21 ARG 91 HH11 ARG 91 87.805 13.591 -4.790 742 HH22 ARG 91 HH12 ARG 91 88.054 14.225 -3.198 743 H GLU 92 H GLU 92 81.122 10.397 -5.281 744 HA GLU 92 HA GLU 92 79.237 9.359 -3.492 745 HB2 GLU 92 HB2 GLU 92 79.359 11.715 -4.511 746 HB3 GLU 92 HB3 GLU 92 78.497 11.034 -5.891 747 HG2 GLU 92 HG2 GLU 92 76.799 10.142 -4.180 748 HG3 GLU 92 HG3 GLU 92 77.567 11.228 -3.023 749 H ASP 93 H ASP 93 79.241 9.228 -7.066 750 HA ASP 93 HA ASP 93 76.968 7.613 -7.357 751 HB2 ASP 93 HB2 ASP 93 79.446 7.810 -9.084 752 HB3 ASP 93 HB1 ASP 93 77.960 6.993 -9.564 753 H LEU 94 H LEU 94 80.410 6.701 -7.182 754 HA LEU 94 HA LEU 94 80.094 3.925 -7.358 755 HB2 LEU 94 HB2 LEU 94 82.301 4.970 -7.493 756 HB3 LEU 94 HB3 LEU 94 82.155 5.527 -5.828 757 HG LEU 94 HG LEU 94 82.101 3.234 -5.010 758 HD11 LEU 94 HD11 LEU 94 81.964 2.643 -7.950 759 HD12 LEU 94 HD12 LEU 94 81.016 1.960 -6.629 760 HD13 LEU 94 HD13 LEU 94 82.691 1.463 -6.859 761 HD21 LEU 94 HD21 LEU 94 84.371 3.243 -6.984 762 HD22 LEU 94 HD22 LEU 94 84.371 2.770 -5.286 763 HD23 LEU 94 HD23 LEU 94 84.309 4.475 -5.724 764 H ILE 95 H ILE 95 79.827 6.129 -4.642 765 HA ILE 95 HA ILE 95 79.619 4.055 -2.688 766 HB ILE 95 HB ILE 95 79.222 7.032 -2.626 767 HG12 ILE 95 HG12 ILE 95 81.078 5.365 -0.945 768 HG13 ILE 95 HG13 ILE 95 81.468 5.667 -2.632 769 HG21 ILE 95 HG21 ILE 95 79.127 6.440 -0.019 770 HG22 ILE 95 HG22 ILE 95 78.381 4.965 -0.633 771 HG23 ILE 95 HG23 ILE 95 77.658 6.531 -0.990 772 HD11 ILE 95 HD11 ILE 95 82.243 7.325 -0.675 773 HD12 ILE 95 HD12 ILE 95 80.662 8.024 -1.010 774 HD13 ILE 95 HD13 ILE 95 81.859 7.895 -2.297 775 H ALA 96 H ALA 96 77.418 5.842 -4.699 776 HA ALA 96 HA ALA 96 75.023 5.296 -3.286 777 HB1 ALA 96 HB1 ALA 96 75.390 5.660 -6.269 778 HB2 ALA 96 HB2 ALA 96 75.235 6.982 -5.112 779 HB3 ALA 96 HB3 ALA 96 73.893 5.865 -5.360 780 H TYR 97 H TYR 97 76.945 3.529 -5.630 781 HA TYR 97 HA TYR 97 75.020 1.409 -5.962 782 HB2 TYR 97 HB2 TYR 97 76.512 1.781 -7.797 783 HB3 TYR 97 HB3 TYR 97 77.926 1.693 -6.746 784 HD1 TYR 97 HD1 TYR 97 75.090 -0.298 -8.123 785 HD2 TYR 97 HD2 TYR 97 78.925 -0.395 -6.193 786 HE1 TYR 97 HE1 TYR 97 75.198 -2.749 -8.464 787 HE2 TYR 97 HE2 TYR 97 79.032 -2.848 -6.537 788 HH TYR 97 HH TYR 97 77.447 -4.726 -6.882 789 H LEU 98 H LEU 98 78.061 1.869 -4.157 790 HA LEU 98 HA LEU 98 78.295 -0.689 -3.073 791 HB2 LEU 98 HB2 LEU 98 79.153 2.041 -2.174 792 HB3 LEU 98 HB3 LEU 98 79.352 0.679 -1.080 793 HG LEU 98 HG LEU 98 80.324 0.464 -3.926 794 HD11 LEU 98 HD11 LEU 98 82.143 1.379 -1.715 795 HD12 LEU 98 HD12 LEU 98 81.247 2.564 -2.661 796 HD13 LEU 98 HD13 LEU 98 82.379 1.478 -3.457 797 HD21 LEU 98 HD21 LEU 98 81.231 -0.717 -1.285 798 HD22 LEU 98 HD22 LEU 98 81.899 -1.112 -2.868 799 HD23 LEU 98 HD23 LEU 98 80.235 -1.544 -2.480 800 H LYS 99 H LYS 99 76.051 1.853 -2.390 801 HA LYS 99 HA LYS 99 75.266 0.861 0.207 802 HB2 LYS 99 HB2 LYS 99 74.277 3.012 -1.642 803 HB3 LYS 99 HB3 LYS 99 73.283 2.496 -0.279 804 HG2 LYS 99 HG2 LYS 99 75.325 2.873 1.199 805 HG3 LYS 99 HG3 LYS 99 76.080 3.655 -0.188 806 HD2 LYS 99 HD2 LYS 99 73.376 4.486 0.892 807 HD3 LYS 99 HD3 LYS 99 74.887 5.215 1.435 808 HE2 LYS 99 HE2 LYS 99 75.389 5.691 -1.022 809 HE3 LYS 99 HE3 LYS 99 73.713 5.248 -1.352 810 HZ1 LYS 99 HZ1 LYS 99 74.615 7.708 -0.578 811 HZ2 LYS 99 HZ2 LYS 99 73.934 7.062 0.839 812 HZ3 LYS 99 HZ3 LYS 99 73.001 7.186 -0.576 813 H LYS 100 H LYS 100 73.688 0.987 -2.995 814 HA LYS 100 HA LYS 100 71.512 -0.690 -2.163 815 HB2 LYS 100 HB2 LYS 100 72.467 0.288 -4.855 816 HB3 LYS 100 HB3 LYS 100 71.073 -0.778 -4.672 817 HG2 LYS 100 HG2 LYS 100 69.945 0.843 -3.261 818 HG3 LYS 100 HG3 LYS 100 71.372 1.880 -3.246 819 HD2 LYS 100 HD2 LYS 100 69.728 2.727 -4.862 820 HD3 LYS 100 HD3 LYS 100 71.175 2.168 -5.700 821 HE2 LYS 100 HE2 LYS 100 70.117 0.257 -6.532 822 HE3 LYS 100 HE3 LYS 100 68.885 0.266 -5.270 823 HZ1 LYS 100 HZ1 LYS 100 67.575 1.367 -6.650 824 HZ2 LYS 100 HZ2 LYS 100 68.801 1.451 -7.823 825 HZ3 LYS 100 HZ3 LYS 100 68.664 2.668 -6.645 826 H ALA 101 H ALA 101 74.708 -1.263 -3.237 827 HA ALA 101 HA ALA 101 74.181 -3.949 -4.226 828 HB1 ALA 101 HB1 ALA 101 76.510 -4.033 -4.748 829 HB2 ALA 101 HB2 ALA 101 76.865 -2.671 -3.686 830 HB3 ALA 101 HB3 ALA 101 75.959 -2.415 -5.178 831 H THR 102 H THR 102 75.332 -2.362 -1.327 832 HA THR 102 HA THR 102 76.140 -4.892 -0.103 833 HB THR 102 HB THR 102 76.721 -3.440 1.840 834 HG1 THR 102 HG1 THR 102 75.128 -1.766 0.528 835 HG21 THR 102 HG21 THR 102 78.441 -2.036 0.490 836 HG22 THR 102 HG22 THR 102 77.766 -2.851 -0.922 837 HG23 THR 102 HG23 THR 102 78.514 -3.793 0.366 838 H ASN 103 H ASN 103 73.350 -3.123 -0.554 839 HA ASN 103 HA ASN 103 72.080 -3.805 1.980 840 HB2 ASN 103 HB2 ASN 103 71.272 -2.291 -0.486 841 HB3 ASN 103 HB1 ASN 103 70.055 -2.816 0.669 842 HD21 ASN 103 HD21 ASN 103 73.281 -2.002 1.796 843 HD22 ASN 103 HD22 ASN 103 72.844 -0.549 2.556 844 H GLU 104 H GLU 104 72.339 -5.012 -1.266 845 HA GLU 104 HA GLU 104 70.113 -6.504 -1.711 846 HB2 GLU 104 HB2 GLU 104 73.011 -7.230 -2.139 847 HB3 GLU 104 HB3 GLU 104 71.687 -8.249 -2.707 848 HG2 GLU 104 HG2 GLU 104 70.777 -6.367 -4.003 849 HG3 GLU 104 HG3 GLU 104 72.078 -5.329 -3.422 850 HHA HEC 201 HA HEC 105 89.286 -3.606 3.435 851 HHB HEC 201 HB HEC 105 85.493 -0.062 -0.181 852 HHC HEC 201 HC HEC 105 88.859 -1.697 -5.283 853 HHD HEC 201 HD HEC 105 92.266 -5.679 -1.744 854 HMA1 HEC 201 HMA1 HEC 105 85.663 0.746 2.563 855 HMA2 HEC 201 HMA2 HEC 105 85.045 -0.594 3.528 856 HMA3 HEC 201 HMA3 HEC 105 84.515 -0.393 1.860 857 HAA1 HEC 201 HAA1 HEC 105 86.878 -1.081 4.757 858 HAA2 HEC 201 HAA2 HEC 105 88.249 -2.170 4.714 859 HBA1 HEC 201 HBA1 HEC 105 86.855 -4.091 4.641 860 HBA2 HEC 201 HBA2 HEC 105 85.428 -3.134 4.260 861 HMB1 HEC 201 HMB1 HEC 105 84.095 0.097 -2.531 862 HMB2 HEC 201 HMB2 HEC 105 84.827 1.201 -3.688 863 HMB3 HEC 201 HMB3 HEC 105 85.061 1.456 -1.961 864 HAB HEC 201 HAB HEC 105 87.374 -0.491 -5.935 865 HBB1 HEC 201 HBB1 HEC 105 86.330 1.924 -6.208 866 HBB2 HEC 201 HBB2 HEC 105 86.675 2.037 -4.484 867 HBB3 HEC 201 HBB3 HEC 105 87.981 1.728 -5.623 868 HMC1 HEC 201 HMC1 HEC 105 91.320 -4.190 -6.659 869 HMC2 HEC 201 HMC2 HEC 105 91.389 -2.451 -6.382 870 HMC3 HEC 201 HMC3 HEC 105 89.836 -3.243 -6.638 871 HAC HEC 201 HAC HEC 105 92.717 -6.078 -3.676 872 HBC1 HEC 201 HBC1 HEC 105 93.647 -5.491 -6.209 873 HBC2 HEC 201 HBC2 HEC 105 94.410 -4.969 -4.709 874 HBC3 HEC 201 HBC3 HEC 105 93.305 -3.889 -5.557 875 HMD1 HEC 201 HMD1 HEC 105 92.381 -7.434 0.497 876 HMD2 HEC 201 HMD2 HEC 105 93.230 -6.589 1.791 877 HMD3 HEC 201 HMD3 HEC 105 93.537 -6.159 0.110 878 HAD1 HEC 201 HAD1 HEC 105 91.670 -6.448 3.416 879 HAD2 HEC 201 HAD2 HEC 105 90.440 -5.340 3.978 880 HBD1 HEC 201 HBD1 HEC 105 92.784 -3.809 3.346 881 HBD2 HEC 201 HBD2 HEC 105 93.267 -5.175 4.346 882 H1 HOH 301 H2 HOH 200 82.979 2.768 -0.618 883 H2 HOH 301 H1 HOH 200 82.111 3.741 -1.395 884 H1 HOH 302 H2 HOH 201 85.441 5.505 6.531 885 H2 HOH 302 H1 HOH 201 86.224 6.669 5.954 886 H1 HOH 303 H2 HOH 202 84.812 -5.852 5.554 887 H2 HOH 303 H1 HOH 202 83.623 -6.746 5.269 888 H1 HOH 304 H2 HOH 203 82.002 -11.056 -0.454 889 H2 HOH 304 H1 HOH 203 82.819 -9.828 -0.114 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 72.767 10.295 -5.766 2 H2 GLY 1 H2 GLY 1 73.096 11.163 -7.189 3 H3 GLY 1 H3 GLY 1 74.032 11.423 -5.796 4 HA2 GLY 1 HA2 GLY 1 75.387 10.094 -7.118 5 HA3 GLY 1 HA3 GLY 1 74.660 8.979 -5.960 6 H ASP 2 H ASP 2 75.637 8.618 -8.785 7 HA ASP 2 HA ASP 2 73.134 7.723 -10.080 8 HB2 ASP 2 HB2 ASP 2 75.894 8.187 -11.228 9 HB3 ASP 2 HB1 ASP 2 74.507 7.591 -12.138 10 H VAL 3 H VAL 3 72.902 5.814 -8.858 11 HA VAL 3 HA VAL 3 74.789 3.873 -8.327 12 HB VAL 3 HB VAL 3 72.562 3.694 -7.426 13 HG11 VAL 3 HG11 VAL 3 70.664 3.070 -8.981 14 HG12 VAL 3 HG12 VAL 3 71.730 3.462 -10.330 15 HG13 VAL 3 HG13 VAL 3 71.264 4.716 -9.180 16 HG21 VAL 3 HG21 VAL 3 72.237 1.376 -7.684 17 HG22 VAL 3 HG22 VAL 3 73.933 1.587 -8.111 18 HG23 VAL 3 HG23 VAL 3 72.723 1.400 -9.379 19 H GLU 4 H GLU 4 73.567 4.882 -11.365 20 HA GLU 4 HA GLU 4 74.013 2.435 -12.797 21 HB2 GLU 4 HB2 GLU 4 73.835 5.277 -13.826 22 HB3 GLU 4 HB3 GLU 4 73.731 3.814 -14.807 23 HG2 GLU 4 HG2 GLU 4 71.853 4.403 -12.506 24 HG3 GLU 4 HG3 GLU 4 71.496 4.836 -14.177 25 H LYS 5 H LYS 5 75.768 5.551 -12.821 26 HA LYS 5 HA LYS 5 78.034 4.434 -14.168 27 HB2 LYS 5 HB2 LYS 5 77.623 7.028 -12.662 28 HB3 LYS 5 HB3 LYS 5 79.127 6.613 -13.483 29 HG2 LYS 5 HG2 LYS 5 77.867 6.330 -15.607 30 HG3 LYS 5 HG3 LYS 5 76.392 6.826 -14.777 31 HD2 LYS 5 HD2 LYS 5 78.803 8.612 -14.630 32 HD3 LYS 5 HD3 LYS 5 77.838 8.604 -16.105 33 HE2 LYS 5 HE2 LYS 5 75.911 9.380 -15.001 34 HE3 LYS 5 HE3 LYS 5 76.513 8.900 -13.414 35 HZ1 LYS 5 HZ1 LYS 5 76.752 11.226 -13.554 36 HZ2 LYS 5 HZ2 LYS 5 77.441 11.149 -15.106 37 HZ3 LYS 5 HZ3 LYS 5 78.312 10.591 -13.757 38 H GLY 6 H GLY 6 76.956 4.568 -10.915 39 HA2 GLY 6 HA2 GLY 6 79.499 4.298 -9.628 40 HA3 GLY 6 HA3 GLY 6 77.926 3.928 -8.916 41 H LYS 7 H LYS 7 77.121 2.154 -11.033 42 HA LYS 7 HA LYS 7 78.205 -0.289 -10.046 43 HB2 LYS 7 HB2 LYS 7 75.870 0.086 -11.008 44 HB3 LYS 7 HB3 LYS 7 76.630 0.056 -12.600 45 HG2 LYS 7 HG2 LYS 7 77.692 -2.181 -11.818 46 HG3 LYS 7 HG3 LYS 7 76.460 -2.156 -10.557 47 HD2 LYS 7 HD2 LYS 7 75.330 -3.326 -12.214 48 HD3 LYS 7 HD3 LYS 7 74.835 -1.679 -12.598 49 HE2 LYS 7 HE2 LYS 7 75.527 -2.543 -14.681 50 HE3 LYS 7 HE3 LYS 7 76.935 -1.636 -14.130 51 HZ1 LYS 7 HZ1 LYS 7 78.084 -3.503 -14.322 52 HZ2 LYS 7 HZ2 LYS 7 76.686 -4.413 -14.639 53 HZ3 LYS 7 HZ3 LYS 7 77.187 -4.151 -13.037 54 H LYS 8 H LYS 8 78.617 1.593 -13.039 55 HA LYS 8 HA LYS 8 80.267 -0.242 -14.400 56 HB2 LYS 8 HB2 LYS 8 79.276 1.653 -15.548 57 HB3 LYS 8 HB3 LYS 8 80.180 2.781 -14.540 58 HG2 LYS 8 HG2 LYS 8 81.847 0.753 -15.918 59 HG3 LYS 8 HG3 LYS 8 81.029 1.883 -16.995 60 HD2 LYS 8 HD2 LYS 8 82.483 2.931 -14.576 61 HD3 LYS 8 HD3 LYS 8 83.390 2.507 -16.027 62 HE2 LYS 8 HE2 LYS 8 82.040 4.033 -17.369 63 HE3 LYS 8 HE3 LYS 8 81.019 4.399 -15.978 64 HZ1 LYS 8 HZ1 LYS 8 83.391 4.953 -14.960 65 HZ2 LYS 8 HZ2 LYS 8 82.460 6.106 -15.791 66 HZ3 LYS 8 HZ3 LYS 8 83.722 5.294 -16.588 67 H ILE 9 H ILE 9 81.088 2.460 -12.239 68 HA ILE 9 HA ILE 9 83.903 2.123 -12.411 69 HB ILE 9 HB ILE 9 82.239 3.382 -10.220 70 HG12 ILE 9 HG12 ILE 9 83.696 4.783 -12.468 71 HG13 ILE 9 HG13 ILE 9 82.025 4.250 -12.648 72 HG21 ILE 9 HG21 ILE 9 84.368 4.646 -9.799 73 HG22 ILE 9 HG22 ILE 9 85.178 3.573 -10.940 74 HG23 ILE 9 HG23 ILE 9 84.494 2.923 -9.450 75 HD11 ILE 9 HD11 ILE 9 83.058 6.100 -10.477 76 HD12 ILE 9 HD12 ILE 9 81.388 5.561 -10.655 77 HD13 ILE 9 HD13 ILE 9 82.117 6.594 -11.885 78 H PHE 10 H PHE 10 81.430 0.502 -10.628 79 HA PHE 10 HA PHE 10 83.203 -0.528 -8.588 80 HB2 PHE 10 HB2 PHE 10 81.029 -0.339 -7.787 81 HB3 PHE 10 HB1 PHE 10 80.315 -0.905 -9.296 82 HD1 PHE 10 HD1 PHE 10 80.262 -3.293 -9.853 83 HD2 PHE 10 HD2 PHE 10 81.892 -1.906 -6.135 84 HE1 PHE 10 HE1 PHE 10 80.214 -5.609 -8.975 85 HE2 PHE 10 HE2 PHE 10 81.849 -4.224 -5.253 86 HZ PHE 10 HZ PHE 10 81.008 -6.076 -6.675 87 H VAL 11 H VAL 11 81.426 -1.999 -11.324 88 HA VAL 11 HA VAL 11 82.401 -4.594 -11.050 89 HB VAL 11 HB VAL 11 81.874 -4.867 -13.456 90 HG11 VAL 11 HG11 VAL 11 79.776 -3.172 -12.101 91 HG12 VAL 11 HG12 VAL 11 80.134 -4.820 -11.587 92 HG13 VAL 11 HG13 VAL 11 79.532 -4.513 -13.217 93 HG21 VAL 11 HG21 VAL 11 82.671 -2.683 -14.241 94 HG22 VAL 11 HG22 VAL 11 81.419 -1.875 -13.299 95 HG23 VAL 11 HG23 VAL 11 80.971 -2.891 -14.667 96 H GLN 12 H GLN 12 83.893 -1.771 -12.472 97 HA GLN 12 HA GLN 12 86.083 -3.402 -13.545 98 HB2 GLN 12 HB2 GLN 12 86.797 -1.431 -14.687 99 HB3 GLN 12 HB1 GLN 12 85.048 -1.555 -14.876 100 HG2 GLN 12 HG2 GLN 12 84.826 -0.011 -12.875 101 HG3 GLN 12 HG1 GLN 12 86.568 0.248 -12.979 102 HE21 GLN 12 HE21 GLN 12 85.812 -0.254 -16.106 103 HE22 GLN 12 HE22 GLN 12 85.448 1.327 -16.595 104 H LYS 13 H LYS 13 85.442 -1.231 -10.862 105 HA LYS 13 HA LYS 13 88.325 -1.113 -10.275 106 HB2 LYS 13 HB2 LYS 13 86.742 0.939 -10.311 107 HB3 LYS 13 HB3 LYS 13 86.247 0.377 -8.714 108 HG2 LYS 13 HG2 LYS 13 88.026 1.770 -8.146 109 HG3 LYS 13 HG3 LYS 13 88.860 0.226 -8.301 110 HD2 LYS 13 HD2 LYS 13 90.224 1.560 -9.623 111 HD3 LYS 13 HD3 LYS 13 89.087 0.986 -10.842 112 HE2 LYS 13 HE2 LYS 13 87.730 3.040 -10.519 113 HE3 LYS 13 HE3 LYS 13 88.909 3.617 -9.342 114 HZ1 LYS 13 HZ1 LYS 13 90.371 4.147 -10.938 115 HZ2 LYS 13 HZ2 LYS 13 89.012 4.157 -11.957 116 HZ3 LYS 13 HZ3 LYS 13 90.013 2.787 -11.885 117 H CYS 14 H CYS 14 85.395 -1.485 -8.217 118 HA CYS 14 HA CYS 14 87.000 -2.728 -6.168 119 HB2 CYS 14 HB2 CYS 14 84.016 -2.658 -6.091 120 HB3 CYS 14 HB1 CYS 14 85.163 -2.505 -4.764 121 H ALA 15 H ALA 15 84.594 -3.959 -8.469 122 HA ALA 15 HA ALA 15 84.069 -6.426 -7.385 123 HB1 ALA 15 HB1 ALA 15 82.930 -6.047 -9.366 124 HB2 ALA 15 HB2 ALA 15 84.152 -7.203 -9.900 125 HB3 ALA 15 HB3 ALA 15 84.373 -5.481 -10.206 126 H GLN 16 H GLN 16 87.061 -5.287 -8.748 127 HA GLN 16 HA GLN 16 88.406 -7.578 -9.430 128 HB2 GLN 16 HB2 GLN 16 89.358 -5.089 -8.029 129 HB3 GLN 16 HB1 GLN 16 90.468 -6.378 -8.492 130 HG2 GLN 16 HG2 GLN 16 89.658 -6.195 -10.836 131 HG3 GLN 16 HG1 GLN 16 88.625 -4.852 -10.354 132 HE21 GLN 16 HE21 GLN 16 90.432 -4.186 -12.276 133 HE22 GLN 16 HE22 GLN 16 91.732 -3.306 -11.628 134 H CYS 17 H CYS 17 88.530 -6.145 -6.137 135 HA CYS 17 HA CYS 17 88.904 -8.893 -5.093 136 HB2 CYS 17 HB2 CYS 17 90.068 -6.695 -3.497 137 HB3 CYS 17 HB1 CYS 17 90.721 -8.286 -3.869 138 H HIS 18 H HSD 18 86.348 -8.040 -5.237 139 HA HIS 18 HA HSD 18 85.633 -7.857 -2.427 140 HB2 HIS 18 HB2 HSD 18 85.137 -5.596 -4.337 141 HB3 HIS 18 HB1 HSD 18 83.986 -5.918 -3.045 142 HD1 HIS 18 HD1 HSD 18 84.793 -5.568 -0.598 143 HD2 HIS 18 HD2 HSD 18 87.653 -4.611 -3.468 144 HE1 HIS 18 HE1 HSD 18 86.616 -4.288 0.608 145 H THR 19 H THR 19 83.046 -7.513 -2.416 146 HA THR 19 HA THR 19 81.811 -9.108 -4.545 147 HB THR 19 HB THR 19 81.127 -9.851 -1.737 148 HG1 THR 19 HG1 THR 19 83.111 -11.389 -2.714 149 HG21 THR 19 HG21 THR 19 80.195 -10.727 -4.046 150 HG22 THR 19 HG22 THR 19 80.470 -11.848 -2.715 151 HG23 THR 19 HG23 THR 19 81.652 -11.718 -4.018 152 H VAL 20 H VAL 20 81.460 -7.167 -1.626 153 HA VAL 20 HA VAL 20 79.720 -5.909 -0.803 154 HB VAL 20 HB VAL 20 78.974 -4.193 -2.333 155 HG11 VAL 20 HG11 VAL 20 81.286 -4.055 -1.526 156 HG12 VAL 20 HG12 VAL 20 81.186 -3.446 -3.176 157 HG13 VAL 20 HG13 VAL 20 81.834 -5.054 -2.869 158 HG21 VAL 20 HG21 VAL 20 78.546 -5.858 -4.232 159 HG22 VAL 20 HG22 VAL 20 80.272 -5.763 -4.563 160 HG23 VAL 20 HG23 VAL 20 79.270 -4.322 -4.696 161 H GLU 21 H GLU 21 78.894 -8.612 -1.448 162 HA GLU 21 HA GLU 21 76.027 -8.060 -1.878 163 HB2 GLU 21 HB2 GLU 21 75.736 -9.836 -3.387 164 HB3 GLU 21 HB3 GLU 21 77.219 -9.060 -3.940 165 HG2 GLU 21 HG2 GLU 21 78.464 -10.739 -2.456 166 HG3 GLU 21 HG3 GLU 21 76.933 -11.608 -2.347 167 H LYS 22 H LYS 22 74.867 -8.761 -0.224 168 HA LYS 22 HA LYS 22 75.893 -10.073 2.003 169 HB2 LYS 22 HB2 LYS 22 73.726 -8.775 1.834 170 HB3 LYS 22 HB3 LYS 22 73.009 -10.210 1.107 171 HG2 LYS 22 HG2 LYS 22 74.498 -10.648 3.652 172 HG3 LYS 22 HG3 LYS 22 72.995 -9.738 3.782 173 HD2 LYS 22 HD2 LYS 22 71.832 -11.569 2.531 174 HD3 LYS 22 HD3 LYS 22 73.332 -12.496 2.569 175 HE2 LYS 22 HE2 LYS 22 73.296 -12.235 5.096 176 HE3 LYS 22 HE3 LYS 22 71.659 -11.602 4.926 177 HZ1 LYS 22 HZ1 LYS 22 71.295 -13.740 3.550 178 HZ2 LYS 22 HZ2 LYS 22 71.294 -13.835 5.247 179 HZ3 LYS 22 HZ3 LYS 22 72.668 -14.309 4.367 180 H GLY 23 H GLY 23 76.106 -12.158 2.629 181 HA2 GLY 23 HA2 GLY 23 76.236 -14.448 2.497 182 HA3 GLY 23 HA3 GLY 23 74.768 -14.378 1.530 183 H GLY 24 H GLY 24 77.741 -12.758 0.594 184 HA2 GLY 24 HA2 GLY 24 77.826 -14.397 -1.835 185 HA3 GLY 24 HA3 GLY 24 78.672 -12.876 -1.574 186 H LYS 25 H LYS 25 80.674 -13.633 -2.173 187 HA LYS 25 HA LYS 25 82.009 -15.362 -0.200 188 HB2 LYS 25 HB2 LYS 25 82.446 -15.655 -3.177 189 HB3 LYS 25 HB3 LYS 25 83.089 -16.673 -1.891 190 HG2 LYS 25 HG2 LYS 25 81.294 -17.985 -2.514 191 HG3 LYS 25 HG3 LYS 25 80.485 -16.963 -1.330 192 HD2 LYS 25 HD2 LYS 25 79.034 -16.763 -3.140 193 HD3 LYS 25 HD3 LYS 25 80.092 -15.381 -3.417 194 HE2 LYS 25 HE2 LYS 25 79.948 -16.498 -5.517 195 HE3 LYS 25 HE3 LYS 25 81.520 -16.947 -4.855 196 HZ1 LYS 25 HZ1 LYS 25 80.839 -19.027 -5.214 197 HZ2 LYS 25 HZ2 LYS 25 79.207 -18.581 -5.368 198 HZ3 LYS 25 HZ3 LYS 25 79.882 -18.828 -3.829 199 H HIS 26 H HIS 26 83.372 -13.910 0.682 200 HA HIS 26 HA HIS 26 84.444 -11.640 -0.525 201 HB2 HIS 26 HB2 HIS 26 86.354 -12.743 1.351 202 HB3 HIS 26 HB1 HIS 26 85.317 -11.330 1.527 203 HD1 HIS 26 HD1 HIS 26 84.902 -15.129 1.689 204 HD2 HIS 26 HD2 HIS 26 83.461 -11.676 3.527 205 HE1 HIS 26 HE1 HIS 26 83.327 -15.895 3.518 206 HE2 HIS 26 HE2 HIS 26 82.440 -13.801 4.648 207 H LYS 27 H LYS 27 85.727 -11.461 -2.231 208 HA LYS 27 HA LYS 27 87.574 -13.675 -2.879 209 HB2 LYS 27 HB2 LYS 27 86.783 -11.426 -4.725 210 HB3 LYS 27 HB3 LYS 27 87.452 -13.004 -5.142 211 HG2 LYS 27 HG2 LYS 27 85.342 -14.014 -4.107 212 HG3 LYS 27 HG3 LYS 27 84.682 -12.378 -4.103 213 HD2 LYS 27 HD2 LYS 27 84.951 -12.210 -6.515 214 HD3 LYS 27 HD3 LYS 27 85.759 -13.778 -6.567 215 HE2 LYS 27 HE2 LYS 27 83.725 -14.887 -5.775 216 HE3 LYS 27 HE3 LYS 27 82.910 -13.329 -5.630 217 HZ1 LYS 27 HZ1 LYS 27 82.222 -14.034 -7.687 218 HZ2 LYS 27 HZ2 LYS 27 83.693 -14.799 -8.052 219 HZ3 LYS 27 HZ3 LYS 27 83.577 -13.106 -8.108 220 H THR 28 H THR 28 89.654 -13.376 -2.459 221 HA THR 28 HA THR 28 91.580 -12.301 -1.743 222 HB THR 28 HB THR 28 90.890 -10.659 -4.192 223 HG1 THR 28 HG1 THR 28 92.089 -12.263 -5.256 224 HG21 THR 28 HG21 THR 28 93.598 -10.955 -4.163 225 HG22 THR 28 HG22 THR 28 93.270 -10.865 -2.434 226 HG23 THR 28 HG23 THR 28 92.764 -9.552 -3.498 227 H GLY 29 H GLY 29 89.041 -11.206 -0.635 228 HA2 GLY 29 HA2 GLY 29 90.060 -9.067 0.831 229 HA3 GLY 29 HA3 GLY 29 89.170 -8.375 -0.522 230 HA PRO 30 HA PRO 30 86.296 -9.838 2.994 231 HB2 PRO 30 HB2 PRO 30 85.937 -7.518 4.379 232 HB3 PRO 30 HB1 PRO 30 87.235 -8.669 4.754 233 HG2 PRO 30 HG2 PRO 30 87.357 -6.117 3.218 234 HG3 PRO 30 HG1 PRO 30 88.505 -6.781 4.394 235 HD2 PRO 30 HD2 PRO 30 88.878 -6.943 1.676 236 HD3 PRO 30 HD1 PRO 30 89.540 -8.125 2.826 237 H ASN 31 H ASN 31 84.033 -9.109 3.310 238 HA ASN 31 HA ASN 31 82.994 -7.883 0.872 239 HB2 ASN 31 HB2 ASN 31 82.087 -9.991 2.189 240 HB3 ASN 31 HB1 ASN 31 81.254 -8.771 3.147 241 HD21 ASN 31 HD21 ASN 31 80.631 -10.782 0.670 242 HD22 ASN 31 HD22 ASN 31 79.576 -9.826 -0.253 243 H LEU 32 H LEU 32 81.027 -6.365 1.259 244 HA LEU 32 HA LEU 32 81.695 -4.450 3.416 245 HB2 LEU 32 HB2 LEU 32 80.587 -3.570 0.759 246 HB3 LEU 32 HB3 LEU 32 81.408 -2.608 1.983 247 HG LEU 32 HG LEU 32 82.679 -4.732 0.230 248 HD11 LEU 32 HD11 LEU 32 82.044 -2.155 -0.443 249 HD12 LEU 32 HD12 LEU 32 83.408 -3.040 -1.121 250 HD13 LEU 32 HD13 LEU 32 83.658 -1.933 0.227 251 HD21 LEU 32 HD21 LEU 32 83.532 -3.484 2.749 252 HD22 LEU 32 HD22 LEU 32 84.692 -3.242 1.449 253 HD23 LEU 32 HD23 LEU 32 84.208 -4.872 1.902 254 H HIS 33 H HIS 33 79.772 -6.483 3.725 255 HA HIS 33 HA HIS 33 77.135 -5.657 3.096 256 HB2 HIS 33 HB2 HIS 33 78.067 -7.335 5.441 257 HB3 HIS 33 HB1 HIS 33 76.424 -7.252 4.809 258 HD1 HIS 33 HD1 HIS 33 78.269 -9.864 4.860 259 HD2 HIS 33 HD2 HIS 33 77.564 -7.426 1.553 260 HE1 HIS 33 HE1 HIS 33 78.703 -11.290 2.814 261 HE2 HIS 33 HE2 HIS 33 78.279 -9.817 0.791 262 H GLY 34 H GLY 34 75.655 -4.410 4.220 263 HA2 GLY 34 HA2 GLY 34 75.161 -2.460 5.423 264 HA3 GLY 34 HA3 GLY 34 75.474 -3.566 6.759 265 H LEU 35 H LEU 35 77.923 -2.585 4.490 266 HA LEU 35 HA LEU 35 79.945 -2.001 6.196 267 HB2 LEU 35 HB2 LEU 35 80.193 -2.048 3.770 268 HB3 LEU 35 HB3 LEU 35 79.249 -0.570 3.624 269 HG LEU 35 HG LEU 35 81.099 0.401 5.259 270 HD11 LEU 35 HD11 LEU 35 82.767 -1.617 3.777 271 HD12 LEU 35 HD12 LEU 35 82.105 -2.003 5.363 272 HD13 LEU 35 HD13 LEU 35 83.205 -0.638 5.175 273 HD21 LEU 35 HD21 LEU 35 81.854 -0.142 2.382 274 HD22 LEU 35 HD22 LEU 35 82.253 1.272 3.358 275 HD23 LEU 35 HD23 LEU 35 80.592 1.006 2.828 276 H PHE 36 H PHE 36 77.750 0.465 4.872 277 HA PHE 36 HA PHE 36 78.683 2.619 6.371 278 HB2 PHE 36 HB2 PHE 36 75.806 2.249 5.528 279 HB3 PHE 36 HB1 PHE 36 76.690 3.762 5.730 280 HD1 PHE 36 HD2 PHE 36 76.434 0.678 3.663 281 HD2 PHE 36 HD1 PHE 36 78.098 4.627 3.987 282 HE1 PHE 36 HE2 PHE 36 77.199 0.552 1.310 283 HE2 PHE 36 HE1 PHE 36 78.855 4.501 1.638 284 HZ PHE 36 HZ PHE 36 78.406 2.466 0.295 285 H GLY 37 H GLY 37 79.060 2.007 8.529 286 HA2 GLY 37 HA2 GLY 37 77.582 2.739 10.547 287 HA3 GLY 37 HA3 GLY 37 76.705 1.274 10.140 288 H ARG 38 H ARG 38 79.277 -0.104 9.369 289 HA ARG 38 HA ARG 38 79.932 -0.985 12.075 290 HB2 ARG 38 HB2 ARG 38 80.164 -2.097 9.353 291 HB3 ARG 38 HB3 ARG 38 81.500 -2.502 10.430 292 HG2 ARG 38 HG2 ARG 38 79.735 -3.186 12.147 293 HG3 ARG 38 HG3 ARG 38 78.555 -3.064 10.843 294 HD2 ARG 38 HD2 ARG 38 81.043 -4.669 10.374 295 HD3 ARG 38 HD3 ARG 38 79.768 -5.368 11.362 296 HE ARG 38 HE ARG 38 78.348 -4.607 9.246 297 HH11 ARG 38 HH21 ARG 38 81.467 -6.124 9.431 298 HH12 ARG 38 HH22 ARG 38 81.297 -6.948 7.918 299 HH21 ARG 38 HH11 ARG 38 78.131 -5.705 7.277 300 HH22 ARG 38 HH12 ARG 38 79.417 -6.717 6.707 301 H LYS 39 H LYS 39 81.963 -1.002 12.997 302 HA LYS 39 HA LYS 39 83.658 1.203 12.409 303 HB2 LYS 39 HB2 LYS 39 83.621 -1.033 14.362 304 HB3 LYS 39 HB3 LYS 39 85.185 -0.278 14.061 305 HG2 LYS 39 HG2 LYS 39 82.788 1.467 14.561 306 HG3 LYS 39 HG3 LYS 39 83.590 0.694 15.927 307 HD2 LYS 39 HD2 LYS 39 85.755 1.675 15.182 308 HD3 LYS 39 HD3 LYS 39 84.904 2.507 13.880 309 HE2 LYS 39 HE2 LYS 39 83.475 3.638 15.580 310 HE3 LYS 39 HE3 LYS 39 84.425 2.869 16.851 311 HZ1 LYS 39 HZ1 LYS 39 86.058 4.172 14.898 312 HZ2 LYS 39 HZ2 LYS 39 86.059 4.330 16.591 313 HZ3 LYS 39 HZ3 LYS 39 84.984 5.249 15.650 314 H THR 40 H THR 40 86.103 0.869 12.195 315 HA THR 40 HA THR 40 86.615 -0.435 9.725 316 HB THR 40 HB THR 40 89.034 0.160 10.295 317 HG1 THR 40 HG1 THR 40 87.944 1.776 12.287 318 HG21 THR 40 HG21 THR 40 87.919 1.665 8.879 319 HG22 THR 40 HG22 THR 40 88.428 2.688 10.222 320 HG23 THR 40 HG23 THR 40 86.761 2.123 10.127 321 H GLY 41 H GLY 41 87.809 -2.241 9.235 322 HA2 GLY 41 HA2 GLY 41 88.363 -4.464 9.501 323 HA3 GLY 41 HA3 GLY 41 89.378 -3.837 10.797 324 H GLN 42 H GLN 42 85.847 -4.180 10.421 325 HA GLN 42 HA GLN 42 85.797 -5.577 13.030 326 HB2 GLN 42 HB2 GLN 42 84.554 -3.320 12.642 327 HB3 GLN 42 HB1 GLN 42 83.390 -4.305 11.754 328 HG2 GLN 42 HG2 GLN 42 83.440 -5.837 13.869 329 HG3 GLN 42 HG1 GLN 42 84.130 -4.428 14.672 330 HE21 GLN 42 HE21 GLN 42 81.218 -5.652 13.049 331 HE22 GLN 42 HE22 GLN 42 80.190 -4.417 13.596 332 H ALA 43 H ALA 43 85.155 -5.873 9.665 333 HA ALA 43 HA ALA 43 83.166 -7.892 9.761 334 HB1 ALA 43 HB1 ALA 43 84.472 -8.351 7.403 335 HB2 ALA 43 HB2 ALA 43 84.915 -6.676 7.734 336 HB3 ALA 43 HB3 ALA 43 83.217 -7.133 7.631 337 HA PRO 44 HA PRO 44 86.049 -11.107 11.056 338 HB2 PRO 44 HB2 PRO 44 84.231 -13.044 11.553 339 HB3 PRO 44 HB1 PRO 44 84.413 -11.637 12.622 340 HG2 PRO 44 HG2 PRO 44 82.363 -12.162 10.523 341 HG3 PRO 44 HG1 PRO 44 82.171 -11.446 12.133 342 HD2 PRO 44 HD2 PRO 44 82.331 -9.975 9.793 343 HD3 PRO 44 HD1 PRO 44 82.741 -9.340 11.403 344 H GLY 45 H GLY 45 86.990 -11.290 8.913 345 HA2 GLY 45 HA2 GLY 45 86.434 -13.811 7.650 346 HA3 GLY 45 HA3 GLY 45 85.949 -12.444 6.651 347 H PHE 46 H PHE 46 87.583 -10.879 6.051 348 HA PHE 46 HA PHE 46 90.038 -12.116 5.273 349 HB2 PHE 46 HB2 PHE 46 88.785 -10.275 4.031 350 HB3 PHE 46 HB1 PHE 46 89.444 -9.157 5.225 351 HD1 PHE 46 HD2 PHE 46 90.400 -11.704 2.673 352 HD2 PHE 46 HD1 PHE 46 91.678 -8.379 5.075 353 HE1 PHE 46 HE2 PHE 46 92.537 -11.618 1.418 354 HE2 PHE 46 HE1 PHE 46 93.814 -8.293 3.820 355 HZ PHE 46 HZ PHE 46 94.244 -9.912 1.991 356 H THR 47 H THR 47 92.177 -11.445 5.849 357 HA THR 47 HA THR 47 92.501 -11.040 8.675 358 HB THR 47 HB THR 47 94.677 -10.904 6.590 359 HG1 THR 47 HG1 THR 47 94.258 -12.899 6.176 360 HG21 THR 47 HG21 THR 47 95.301 -10.304 8.887 361 HG22 THR 47 HG22 THR 47 96.020 -11.851 8.441 362 HG23 THR 47 HG23 THR 47 94.596 -11.808 9.482 363 H TYR 48 H TYR 48 91.415 -8.966 8.860 364 HA TYR 48 HA TYR 48 92.231 -6.617 7.556 365 HB2 TYR 48 HB2 TYR 48 90.815 -7.208 10.130 366 HB3 TYR 48 HB3 TYR 48 91.323 -5.556 9.790 367 HD1 TYR 48 HD2 TYR 48 90.644 -4.512 7.561 368 HD2 TYR 48 HD1 TYR 48 88.876 -8.104 9.113 369 HE1 TYR 48 HE2 TYR 48 88.700 -4.203 6.057 370 HE2 TYR 48 HE1 TYR 48 86.931 -7.798 7.605 371 HH TYR 48 HH TYR 48 86.386 -4.870 5.904 372 H THR 49 H THR 49 93.561 -4.905 8.235 373 HA THR 49 HA THR 49 95.944 -5.789 9.666 374 HB THR 49 HB THR 49 96.936 -3.714 8.875 375 HG1 THR 49 HG1 THR 49 94.939 -2.507 9.153 376 HG21 THR 49 HG21 THR 49 95.261 -5.214 6.853 377 HG22 THR 49 HG22 THR 49 96.963 -5.459 7.243 378 HG23 THR 49 HG23 THR 49 96.455 -4.004 6.388 379 H ASP 50 H ASP 50 96.822 -4.698 11.470 380 HA ASP 50 HA ASP 50 95.146 -4.131 13.571 381 HB2 ASP 50 HB2 ASP 50 97.783 -2.716 13.222 382 HB3 ASP 50 HB1 ASP 50 97.021 -3.255 14.717 383 H ALA 51 H ALA 51 96.472 -1.862 11.196 384 HA ALA 51 HA ALA 51 95.627 0.543 12.299 385 HB1 ALA 51 HB1 ALA 51 95.469 1.286 9.844 386 HB2 ALA 51 HB2 ALA 51 95.966 -0.360 9.447 387 HB3 ALA 51 HB3 ALA 51 97.024 0.673 10.408 388 H ASN 52 H ASN 52 93.824 -1.701 10.212 389 HA ASN 52 HA ASN 52 91.454 -0.038 10.253 390 HB2 ASN 52 HB2 ASN 52 92.426 -2.188 8.681 391 HB3 ASN 52 HB1 ASN 52 90.939 -2.761 9.428 392 HD21 ASN 52 HD21 ASN 52 90.052 -2.679 7.151 393 HD22 ASN 52 HD22 ASN 52 89.495 -1.191 6.549 394 H LYS 53 H LYS 53 92.767 -2.670 12.082 395 HA LYS 53 HA LYS 53 90.246 -3.304 13.386 396 HB2 LYS 53 HB2 LYS 53 91.414 -5.261 13.377 397 HB3 LYS 53 HB3 LYS 53 92.966 -4.447 13.249 398 HG2 LYS 53 HG2 LYS 53 92.941 -3.944 15.645 399 HG3 LYS 53 HG3 LYS 53 91.332 -4.655 15.796 400 HD2 LYS 53 HD2 LYS 53 92.414 -6.796 14.809 401 HD3 LYS 53 HD3 LYS 53 93.951 -6.034 15.219 402 HE2 LYS 53 HE2 LYS 53 91.685 -6.678 17.124 403 HE3 LYS 53 HE3 LYS 53 93.274 -7.440 17.078 404 HZ1 LYS 53 HZ1 LYS 53 93.877 -5.894 18.537 405 HZ2 LYS 53 HZ2 LYS 53 92.472 -4.972 18.283 406 HZ3 LYS 53 HZ3 LYS 53 93.817 -4.777 17.262 407 H ASN 54 H ASN 54 92.640 -0.985 13.624 408 HA ASN 54 HA ASN 54 92.871 -0.637 16.427 409 HB2 ASN 54 HB2 ASN 54 94.019 1.295 15.914 410 HB3 ASN 54 HB1 ASN 54 94.203 0.411 14.406 411 HD21 ASN 54 HD21 ASN 54 91.509 0.845 13.401 412 HD22 ASN 54 HD22 ASN 54 91.360 2.497 13.042 413 H LYS 55 H LYS 55 90.385 -0.031 14.194 414 HA LYS 55 HA LYS 55 88.290 0.913 14.375 415 HB2 LYS 55 HB2 LYS 55 88.931 0.471 17.294 416 HB3 LYS 55 HB3 LYS 55 87.373 1.076 16.735 417 HG2 LYS 55 HG2 LYS 55 86.839 -0.924 15.638 418 HG3 LYS 55 HG3 LYS 55 88.525 -1.428 15.528 419 HD2 LYS 55 HD2 LYS 55 87.276 -2.735 17.233 420 HD3 LYS 55 HD3 LYS 55 88.598 -1.813 17.946 421 HE2 LYS 55 HE2 LYS 55 85.945 -0.457 17.803 422 HE3 LYS 55 HE3 LYS 55 86.109 -1.770 18.968 423 HZ1 LYS 55 HZ1 LYS 55 86.773 0.147 20.099 424 HZ2 LYS 55 HZ2 LYS 55 87.687 0.726 18.789 425 HZ3 LYS 55 HZ3 LYS 55 88.227 -0.618 19.679 426 H GLY 56 H GLY 56 89.758 2.794 13.564 427 HA2 GLY 56 HA2 GLY 56 90.008 4.990 15.472 428 HA3 GLY 56 HA3 GLY 56 90.541 4.997 13.793 429 H ILE 57 H ILE 57 88.112 4.152 12.599 430 HA ILE 57 HA ILE 57 86.101 6.124 13.397 431 HB ILE 57 HB ILE 57 85.982 7.154 11.209 432 HG12 ILE 57 HG12 ILE 57 87.973 6.552 9.612 433 HG13 ILE 57 HG13 ILE 57 88.044 5.053 10.534 434 HG21 ILE 57 HG21 ILE 57 88.890 7.072 12.048 435 HG22 ILE 57 HG22 ILE 57 87.653 7.974 12.924 436 HG23 ILE 57 HG23 ILE 57 88.039 8.399 11.257 437 HD11 ILE 57 HD11 ILE 57 86.152 4.242 9.572 438 HD12 ILE 57 HD12 ILE 57 86.427 5.475 8.349 439 HD13 ILE 57 HD13 ILE 57 85.315 5.789 9.676 440 H THR 58 H THR 58 84.155 5.929 11.837 441 HA THR 58 HA THR 58 83.700 3.050 11.336 442 HB THR 58 HB THR 58 81.787 5.254 12.118 443 HG1 THR 58 HG1 THR 58 83.202 4.028 13.655 444 HG21 THR 58 HG21 THR 58 81.300 2.417 11.204 445 HG22 THR 58 HG22 THR 58 80.592 3.897 10.561 446 HG23 THR 58 HG23 THR 58 80.124 3.318 12.159 447 H TRP 59 H TRP 59 82.865 2.366 9.411 448 HA TRP 59 HA TRP 59 83.254 3.972 7.113 449 HB2 TRP 59 HB2 TRP 59 81.410 1.587 7.197 450 HB3 TRP 59 HB1 TRP 59 82.396 2.168 5.856 451 HD1 TRP 59 HD1 TRP 59 85.168 2.472 7.267 452 HE1 TRP 59 HE1 TRP 59 86.471 0.372 8.023 453 HE3 TRP 59 HE3 TRP 59 81.352 -0.901 7.556 454 HZ2 TRP 59 HZ2 TRP 59 85.949 -2.357 8.697 455 HZ3 TRP 59 HZ3 TRP 59 81.780 -3.239 8.248 456 HH2 TRP 59 HH2 TRP 59 84.074 -3.969 8.819 457 H LYS 60 H LYS 60 81.884 5.217 5.945 458 HA LYS 60 HA LYS 60 79.024 5.208 6.443 459 HB2 LYS 60 HB2 LYS 60 80.764 7.578 7.167 460 HB3 LYS 60 HB3 LYS 60 79.019 7.680 6.950 461 HG2 LYS 60 HG2 LYS 60 78.852 5.774 8.667 462 HG3 LYS 60 HG3 LYS 60 80.545 6.108 9.031 463 HD2 LYS 60 HD2 LYS 60 78.438 8.278 9.064 464 HD3 LYS 60 HD3 LYS 60 78.812 7.308 10.488 465 HE2 LYS 60 HE2 LYS 60 81.214 7.977 10.251 466 HE3 LYS 60 HE3 LYS 60 80.741 9.054 8.937 467 HZ1 LYS 60 HZ1 LYS 60 79.324 10.258 10.428 468 HZ2 LYS 60 HZ2 LYS 60 80.881 10.178 11.103 469 HZ3 LYS 60 HZ3 LYS 60 79.644 9.174 11.692 470 H GLU 61 H GLU 61 78.429 7.659 5.233 471 HA GLU 61 HA GLU 61 78.908 6.988 2.482 472 HB2 GLU 61 HB2 GLU 61 76.770 7.967 3.285 473 HB3 GLU 61 HB3 GLU 61 77.625 9.467 3.651 474 HG2 GLU 61 HG2 GLU 61 78.274 9.695 1.292 475 HG3 GLU 61 HG3 GLU 61 77.464 8.175 0.912 476 H GLU 62 H GLU 62 79.632 9.920 4.399 477 HA GLU 62 HA GLU 62 81.363 11.005 2.409 478 HB2 GLU 62 HB2 GLU 62 81.886 12.703 4.049 479 HB3 GLU 62 HB3 GLU 62 80.158 12.357 4.136 480 HG2 GLU 62 HG2 GLU 62 80.726 10.693 5.989 481 HG3 GLU 62 HG3 GLU 62 82.334 11.414 6.012 482 H THR 63 H THR 63 81.896 9.123 5.353 483 HA THR 63 HA THR 63 84.689 9.358 5.493 484 HB THR 63 HB THR 63 84.623 7.278 6.788 485 HG1 THR 63 HG1 THR 63 82.163 7.082 5.483 486 HG21 THR 63 HG21 THR 63 83.963 9.183 8.035 487 HG22 THR 63 HG22 THR 63 82.739 7.962 8.378 488 HG23 THR 63 HG23 THR 63 82.394 9.259 7.234 489 H LEU 64 H LEU 64 82.597 7.255 3.602 490 HA LEU 64 HA LEU 64 84.666 5.578 2.604 491 HB2 LEU 64 HB2 LEU 64 81.806 5.944 2.143 492 HB3 LEU 64 HB3 LEU 64 82.674 5.588 0.657 493 HG LEU 64 HG LEU 64 82.887 3.957 3.202 494 HD11 LEU 64 HD11 LEU 64 80.835 3.237 2.515 495 HD12 LEU 64 HD12 LEU 64 81.767 2.311 1.338 496 HD13 LEU 64 HD13 LEU 64 81.047 3.852 0.876 497 HD21 LEU 64 HD21 LEU 64 83.759 2.399 1.103 498 HD22 LEU 64 HD22 LEU 64 84.817 3.304 2.180 499 HD23 LEU 64 HD23 LEU 64 84.346 3.994 0.629 500 H MET 65 H MET 65 83.234 8.624 1.516 501 HA MET 65 HA MET 65 84.352 8.757 -1.047 502 HB2 MET 65 HB2 MET 65 83.881 11.015 0.914 503 HB3 MET 65 HB1 MET 65 84.173 11.211 -0.815 504 HG2 MET 65 HG2 MET 65 82.159 10.002 -1.362 505 HG3 MET 65 HG1 MET 65 81.912 9.557 0.325 506 HE1 MET 65 HE1 MET 65 81.581 12.021 -2.441 507 HE2 MET 65 HE2 MET 65 80.253 13.009 -1.841 508 HE3 MET 65 HE3 MET 65 80.053 11.264 -1.971 509 H GLU 66 H GLU 66 85.684 10.157 1.963 510 HA GLU 66 HA GLU 66 88.144 10.959 0.873 511 HB2 GLU 66 HB2 GLU 66 87.585 10.056 3.709 512 HB3 GLU 66 HB3 GLU 66 88.939 11.054 3.179 513 HG2 GLU 66 HG2 GLU 66 87.236 12.716 2.305 514 HG3 GLU 66 HG3 GLU 66 85.998 11.768 3.127 515 H TYR 67 H TYR 67 86.967 7.872 1.953 516 HA TYR 67 HA TYR 67 89.549 6.591 2.062 517 HB2 TYR 67 HB2 TYR 67 87.653 5.792 3.415 518 HB3 TYR 67 HB3 TYR 67 86.759 5.427 1.944 519 HD1 TYR 67 HD1 TYR 67 89.765 4.536 3.931 520 HD2 TYR 67 HD2 TYR 67 87.179 3.447 0.678 521 HE1 TYR 67 HE1 TYR 67 90.841 2.303 3.824 522 HE2 TYR 67 HE2 TYR 67 88.257 1.216 0.568 523 HH TYR 67 HH TYR 67 90.608 0.276 1.255 524 H LEU 68 H LEU 68 87.046 7.110 -0.316 525 HA LEU 68 HA LEU 68 88.033 5.166 -2.191 526 HB2 LEU 68 HB2 LEU 68 85.983 7.369 -2.304 527 HB3 LEU 68 HB3 LEU 68 86.461 6.511 -3.762 528 HG LEU 68 HG LEU 68 85.283 5.274 -1.256 529 HD11 LEU 68 HD11 LEU 68 83.468 4.657 -2.896 530 HD12 LEU 68 HD12 LEU 68 84.251 5.721 -4.062 531 HD13 LEU 68 HD13 LEU 68 83.601 6.383 -2.567 532 HD21 LEU 68 HD21 LEU 68 85.161 3.314 -3.088 533 HD22 LEU 68 HD22 LEU 68 86.531 3.492 -1.997 534 HD23 LEU 68 HD23 LEU 68 86.631 4.105 -3.647 535 H GLU 69 H GLU 69 88.757 8.473 -1.448 536 HA GLU 69 HA GLU 69 90.113 8.883 -4.017 537 HB2 GLU 69 HB2 GLU 69 90.088 11.140 -3.552 538 HB3 GLU 69 HB3 GLU 69 88.680 10.626 -2.627 539 HG2 GLU 69 HG2 GLU 69 90.314 10.314 -0.657 540 HG3 GLU 69 HG3 GLU 69 91.452 11.259 -1.615 541 H ASN 70 H ASN 70 90.792 7.670 -0.966 542 HA ASN 70 HA ASN 70 93.540 7.264 -1.518 543 HB2 ASN 70 HB2 ASN 70 93.248 9.812 -0.805 544 HB3 ASN 70 HB1 ASN 70 93.265 9.118 0.811 545 HD21 ASN 70 HD21 ASN 70 95.122 7.009 0.470 546 HD22 ASN 70 HD22 ASN 70 96.637 7.662 0.072 547 HA PRO 71 HA PRO 71 91.215 4.501 1.474 548 HB2 PRO 71 HB2 PRO 71 93.047 2.616 0.050 549 HB3 PRO 71 HB1 PRO 71 91.337 2.421 0.476 550 HG2 PRO 71 HG2 PRO 71 92.103 2.950 -2.021 551 HG3 PRO 71 HG1 PRO 71 90.607 3.615 -1.344 552 HD2 PRO 71 HD2 PRO 71 93.197 4.990 -1.896 553 HD3 PRO 71 HD1 PRO 71 91.545 5.645 -1.912 554 H LYS 72 H LYS 72 94.664 4.669 0.648 555 HA LYS 72 HA LYS 72 95.507 3.413 3.098 556 HB2 LYS 72 HB2 LYS 72 96.798 3.226 1.003 557 HB3 LYS 72 HB3 LYS 72 97.109 4.957 1.051 558 HG2 LYS 72 HG2 LYS 72 99.046 4.069 2.033 559 HG3 LYS 72 HG3 LYS 72 98.070 4.492 3.434 560 HD2 LYS 72 HD2 LYS 72 99.016 2.246 3.713 561 HD3 LYS 72 HD3 LYS 72 97.265 2.145 3.565 562 HE2 LYS 72 HE2 LYS 72 97.370 1.052 1.557 563 HE3 LYS 72 HE3 LYS 72 98.768 1.977 1.009 564 HZ1 LYS 72 HZ1 LYS 72 100.151 0.680 2.529 565 HZ2 LYS 72 HZ2 LYS 72 99.370 -0.311 1.391 566 HZ3 LYS 72 HZ3 LYS 72 98.799 -0.236 2.989 567 H LYS 73 H LYS 73 95.653 6.753 1.841 568 HA LYS 73 HA LYS 73 96.953 7.861 4.054 569 HB2 LYS 73 HB2 LYS 73 96.634 8.999 1.856 570 HB3 LYS 73 HB3 LYS 73 94.947 9.267 2.291 571 HG2 LYS 73 HG2 LYS 73 95.652 10.519 4.294 572 HG3 LYS 73 HG3 LYS 73 97.341 10.243 3.872 573 HD2 LYS 73 HD2 LYS 73 97.031 12.343 2.936 574 HD3 LYS 73 HD3 LYS 73 96.600 11.328 1.561 575 HE2 LYS 73 HE2 LYS 73 94.863 12.974 1.778 576 HE3 LYS 73 HE3 LYS 73 94.192 11.452 2.365 577 HZ1 LYS 73 HZ1 LYS 73 95.377 12.572 4.557 578 HZ2 LYS 73 HZ2 LYS 73 93.712 12.548 4.219 579 HZ3 LYS 73 HZ3 LYS 73 94.652 13.891 3.775 580 H TYR 74 H TYR 74 93.592 6.999 3.604 581 HA TYR 74 HA TYR 74 92.564 8.598 5.732 582 HB2 TYR 74 HB2 TYR 74 91.360 7.287 3.744 583 HB3 TYR 74 HB3 TYR 74 91.218 6.038 4.980 584 HD1 TYR 74 HD1 TYR 74 90.853 9.776 4.728 585 HD2 TYR 74 HD2 TYR 74 89.274 6.088 6.270 586 HE1 TYR 74 HE1 TYR 74 88.966 11.012 5.754 587 HE2 TYR 74 HE2 TYR 74 87.388 7.327 7.296 588 HH TYR 74 HH TYR 74 86.475 10.312 6.456 589 H ILE 75 H ILE 75 93.194 5.087 5.533 590 HA ILE 75 HA ILE 75 93.709 5.112 8.450 591 HB ILE 75 HB ILE 75 92.328 2.923 6.875 592 HG12 ILE 75 HG12 ILE 75 91.144 4.621 9.079 593 HG13 ILE 75 HG13 ILE 75 91.067 5.133 7.394 594 HG21 ILE 75 HG21 ILE 75 93.496 1.869 8.646 595 HG22 ILE 75 HG22 ILE 75 91.886 2.142 9.310 596 HG23 ILE 75 HG23 ILE 75 93.215 3.216 9.749 597 HD11 ILE 75 HD11 ILE 75 89.891 3.093 6.776 598 HD12 ILE 75 HD12 ILE 75 89.040 3.859 8.118 599 HD13 ILE 75 HD13 ILE 75 90.070 2.458 8.412 600 HA PRO 76 HA PRO 76 97.494 3.869 5.935 601 HB2 PRO 76 HB2 PRO 76 98.496 4.659 8.653 602 HB3 PRO 76 HB1 PRO 76 99.214 4.962 7.058 603 HG2 PRO 76 HG2 PRO 76 97.887 6.866 8.372 604 HG3 PRO 76 HG1 PRO 76 97.806 6.720 6.608 605 HD2 PRO 76 HD2 PRO 76 95.720 6.110 8.630 606 HD3 PRO 76 HD1 PRO 76 95.539 6.522 6.913 607 H GLY 77 H GLY 77 98.094 1.786 5.856 608 HA2 GLY 77 HA2 GLY 77 99.136 -0.101 7.046 609 HA3 GLY 77 HA3 GLY 77 97.959 0.156 8.329 610 H THR 78 H THR 78 95.794 0.705 6.399 611 HA THR 78 HA THR 78 94.648 -1.828 6.206 612 HB THR 78 HB THR 78 93.435 0.358 6.033 613 HG1 THR 78 HG1 THR 78 92.367 -1.501 5.423 614 HG21 THR 78 HG21 THR 78 93.439 1.582 3.997 615 HG22 THR 78 HG22 THR 78 94.281 0.292 3.137 616 HG23 THR 78 HG23 THR 78 95.137 1.253 4.345 617 H LYS 79 H LYS 79 94.500 -3.364 4.590 618 HA LYS 79 HA LYS 79 96.636 -3.261 2.590 619 HB2 LYS 79 HB2 LYS 79 95.302 -5.332 4.082 620 HB3 LYS 79 HB3 LYS 79 95.148 -5.675 2.361 621 HG2 LYS 79 HG2 LYS 79 97.798 -4.912 3.604 622 HG3 LYS 79 HG3 LYS 79 97.242 -6.584 3.538 623 HD2 LYS 79 HD2 LYS 79 97.236 -6.614 1.170 624 HD3 LYS 79 HD3 LYS 79 97.313 -4.856 1.065 625 HE2 LYS 79 HE2 LYS 79 99.494 -6.220 0.644 626 HE3 LYS 79 HE3 LYS 79 99.581 -4.791 1.674 627 HZ1 LYS 79 HZ1 LYS 79 100.665 -6.863 2.560 628 HZ2 LYS 79 HZ2 LYS 79 99.104 -7.507 2.751 629 HZ3 LYS 79 HZ3 LYS 79 99.559 -6.109 3.602 630 H MET 80 H MET 80 95.863 -1.790 1.078 631 HA MET 80 HA MET 80 94.229 -2.843 -0.981 632 HB2 MET 80 HB2 MET 80 92.365 -2.374 0.510 633 HB3 MET 80 HB1 MET 80 92.943 -0.726 0.763 634 HG2 MET 80 HG2 MET 80 92.488 -0.110 -1.495 635 HG3 MET 80 HG1 MET 80 92.280 -1.789 -1.989 636 HE1 MET 80 HE1 MET 80 90.526 1.280 -1.636 637 HE2 MET 80 HE2 MET 80 88.916 0.618 -1.903 638 HE3 MET 80 HE3 MET 80 90.247 0.129 -2.949 639 H ILE 81 H ILE 81 95.864 -2.170 -2.321 640 HA ILE 81 HA ILE 81 96.065 0.746 -2.741 641 HB ILE 81 HB ILE 81 98.390 -1.195 -2.794 642 HG12 ILE 81 HG12 ILE 81 99.061 0.573 -0.894 643 HG13 ILE 81 HG13 ILE 81 97.310 0.694 -0.730 644 HG21 ILE 81 HG21 ILE 81 98.717 0.551 -4.415 645 HG22 ILE 81 HG22 ILE 81 99.681 0.977 -3.000 646 HG23 ILE 81 HG23 ILE 81 98.139 1.782 -3.292 647 HD11 ILE 81 HD11 ILE 81 97.527 -1.988 -0.789 648 HD12 ILE 81 HD12 ILE 81 97.664 -1.069 0.707 649 HD13 ILE 81 HD13 ILE 81 99.118 -1.600 -0.136 650 H PHE 82 H PHE 82 94.725 0.646 -4.540 651 HA PHE 82 HA PHE 82 95.852 -0.791 -6.875 652 HB2 PHE 82 HB2 PHE 82 93.768 -1.867 -6.143 653 HB3 PHE 82 HB1 PHE 82 92.928 -0.319 -6.240 654 HD1 PHE 82 HD2 PHE 82 95.142 -2.498 -8.352 655 HD2 PHE 82 HD1 PHE 82 91.778 0.171 -8.213 656 HE1 PHE 82 HE2 PHE 82 94.748 -2.867 -10.773 657 HE2 PHE 82 HE1 PHE 82 91.385 -0.200 -10.633 658 HZ PHE 82 HZ PHE 82 92.870 -1.717 -11.913 659 H ALA 83 H ALA 83 93.333 1.668 -6.271 660 HA ALA 83 HA ALA 83 94.737 3.835 -7.395 661 HB1 ALA 83 HB1 ALA 83 93.005 2.259 -9.296 662 HB2 ALA 83 HB2 ALA 83 94.674 2.784 -9.520 663 HB3 ALA 83 HB3 ALA 83 93.364 3.966 -9.551 664 H GLY 84 H GLY 84 93.807 5.324 -6.139 665 HA2 GLY 84 HA2 GLY 84 91.131 5.199 -5.188 666 HA3 GLY 84 HA3 GLY 84 92.202 6.593 -5.078 667 H ILE 85 H ILE 85 89.950 7.566 -5.476 668 HA ILE 85 HA ILE 85 89.355 7.692 -8.370 669 HB ILE 85 HB ILE 85 87.724 8.022 -5.883 670 HG12 ILE 85 HG12 ILE 85 87.104 6.856 -8.612 671 HG13 ILE 85 HG13 ILE 85 87.790 5.929 -7.279 672 HG21 ILE 85 HG21 ILE 85 87.350 10.163 -6.998 673 HG22 ILE 85 HG22 ILE 85 85.946 9.129 -7.229 674 HG23 ILE 85 HG23 ILE 85 87.098 9.343 -8.541 675 HD11 ILE 85 HD11 ILE 85 85.231 7.495 -6.943 676 HD12 ILE 85 HD12 ILE 85 85.842 6.166 -5.960 677 HD13 ILE 85 HD13 ILE 85 85.228 5.852 -7.581 678 H LYS 86 H LYS 86 88.758 9.831 -9.235 679 HA LYS 86 HA LYS 86 90.526 11.904 -8.117 680 HB2 LYS 86 HB2 LYS 86 90.782 11.055 -10.514 681 HB3 LYS 86 HB3 LYS 86 89.276 11.904 -10.859 682 HG2 LYS 86 HG2 LYS 86 90.790 13.589 -11.344 683 HG3 LYS 86 HG3 LYS 86 90.527 13.911 -9.631 684 HD2 LYS 86 HD2 LYS 86 92.514 12.317 -9.213 685 HD3 LYS 86 HD3 LYS 86 92.855 12.494 -10.934 686 HE2 LYS 86 HE2 LYS 86 92.573 14.821 -9.010 687 HE3 LYS 86 HE3 LYS 86 94.116 14.123 -9.502 688 HZ1 LYS 86 HZ1 LYS 86 92.797 14.539 -11.848 689 HZ2 LYS 86 HZ2 LYS 86 94.023 15.525 -11.205 690 HZ3 LYS 86 HZ3 LYS 86 92.390 15.904 -10.927 691 H LYS 87 H LYS 87 87.311 11.688 -9.726 692 HA LYS 87 HA LYS 87 86.627 14.309 -8.629 693 HB2 LYS 87 HB2 LYS 87 84.785 12.553 -10.232 694 HB3 LYS 87 HB3 LYS 87 84.807 14.312 -10.109 695 HG2 LYS 87 HG2 LYS 87 87.266 13.994 -11.097 696 HG3 LYS 87 HG3 LYS 87 86.565 12.501 -11.719 697 HD2 LYS 87 HD2 LYS 87 85.446 15.288 -12.150 698 HD3 LYS 87 HD3 LYS 87 86.314 14.332 -13.352 699 HE2 LYS 87 HE2 LYS 87 84.560 12.568 -13.164 700 HE3 LYS 87 HE3 LYS 87 83.671 13.607 -12.051 701 HZ1 LYS 87 HZ1 LYS 87 84.272 15.180 -14.231 702 HZ2 LYS 87 HZ2 LYS 87 82.753 14.538 -13.822 703 HZ3 LYS 87 HZ3 LYS 87 83.776 13.695 -14.885 704 H LYS 88 H LYS 88 84.571 14.661 -7.541 705 HA LYS 88 HA LYS 88 84.232 12.870 -5.337 706 HB2 LYS 88 HB2 LYS 88 83.880 15.395 -5.317 707 HB3 LYS 88 HB3 LYS 88 82.345 15.088 -6.130 708 HG2 LYS 88 HG2 LYS 88 81.677 13.581 -4.275 709 HG3 LYS 88 HG3 LYS 88 83.195 13.940 -3.454 710 HD2 LYS 88 HD2 LYS 88 81.810 15.498 -2.435 711 HD3 LYS 88 HD3 LYS 88 82.400 16.455 -3.793 712 HE2 LYS 88 HE2 LYS 88 80.381 15.758 -5.098 713 HE3 LYS 88 HE3 LYS 88 79.779 14.936 -3.660 714 HZ1 LYS 88 HZ1 LYS 88 79.568 16.942 -2.516 715 HZ2 LYS 88 HZ2 LYS 88 78.982 17.294 -4.071 716 HZ3 LYS 88 HZ3 LYS 88 80.540 17.791 -3.615 717 H THR 89 H THR 89 82.059 13.855 -8.001 718 HA THR 89 HA THR 89 79.913 12.210 -7.466 719 HB THR 89 HB THR 89 79.459 12.228 -9.894 720 HG1 THR 89 HG1 THR 89 81.951 12.207 -10.175 721 HG21 THR 89 HG21 THR 89 80.357 14.751 -8.510 722 HG22 THR 89 HG22 THR 89 78.714 14.179 -8.803 723 HG23 THR 89 HG23 THR 89 79.683 14.802 -10.139 724 H GLU 90 H GLU 90 83.059 11.356 -8.719 725 HA GLU 90 HA GLU 90 82.390 8.786 -9.727 726 HB2 GLU 90 HB2 GLU 90 84.920 10.137 -8.855 727 HB3 GLU 90 HB3 GLU 90 84.933 8.391 -9.085 728 HG2 GLU 90 HG2 GLU 90 83.999 8.748 -11.377 729 HG3 GLU 90 HG3 GLU 90 84.170 10.486 -11.131 730 H ARG 91 H ARG 91 83.368 10.013 -6.569 731 HA ARG 91 HA ARG 91 83.392 7.409 -5.325 732 HB2 ARG 91 HB2 ARG 91 83.181 10.054 -3.883 733 HB3 ARG 91 HB3 ARG 91 83.885 8.547 -3.303 734 HG2 ARG 91 HG2 ARG 91 85.670 8.733 -5.006 735 HG3 ARG 91 HG3 ARG 91 84.973 10.259 -5.551 736 HD2 ARG 91 HD2 ARG 91 85.201 10.684 -2.843 737 HD3 ARG 91 HD3 ARG 91 86.620 9.696 -3.174 738 HE ARG 91 HE ARG 91 86.649 11.593 -5.154 739 HH11 ARG 91 HH21 ARG 91 86.476 11.605 -1.696 740 HH12 ARG 91 HH22 ARG 91 87.291 13.124 -1.525 741 HH21 ARG 91 HH11 ARG 91 87.716 13.583 -4.934 742 HH22 ARG 91 HH12 ARG 91 87.995 14.242 -3.357 743 H GLU 92 H GLU 92 81.201 10.221 -5.293 744 HA GLU 92 HA GLU 92 79.290 9.188 -3.522 745 HB2 GLU 92 HB2 GLU 92 79.446 11.558 -4.448 746 HB3 GLU 92 HB3 GLU 92 78.642 10.944 -5.894 747 HG2 GLU 92 HG2 GLU 92 76.765 10.136 -4.498 748 HG3 GLU 92 HG3 GLU 92 77.561 10.786 -3.065 749 H ASP 93 H ASP 93 79.299 9.112 -7.099 750 HA ASP 93 HA ASP 93 76.982 7.566 -7.414 751 HB2 ASP 93 HB2 ASP 93 79.463 7.602 -9.152 752 HB3 ASP 93 HB1 ASP 93 77.877 7.004 -9.635 753 H LEU 94 H LEU 94 80.388 6.572 -7.213 754 HA LEU 94 HA LEU 94 80.011 3.804 -7.434 755 HB2 LEU 94 HB2 LEU 94 82.229 4.829 -7.581 756 HB3 LEU 94 HB3 LEU 94 82.104 5.358 -5.905 757 HG LEU 94 HG LEU 94 82.110 3.091 -5.099 758 HD11 LEU 94 HD11 LEU 94 81.784 2.451 -8.022 759 HD12 LEU 94 HD12 LEU 94 80.856 1.853 -6.647 760 HD13 LEU 94 HD13 LEU 94 82.494 1.267 -6.925 761 HD21 LEU 94 HD21 LEU 94 84.317 4.001 -5.548 762 HD22 LEU 94 HD22 LEU 94 84.203 3.541 -7.244 763 HD23 LEU 94 HD23 LEU 94 84.304 2.299 -5.997 764 H ILE 95 H ILE 95 79.917 5.960 -4.659 765 HA ILE 95 HA ILE 95 79.673 3.883 -2.726 766 HB ILE 95 HB ILE 95 79.247 6.864 -2.639 767 HG12 ILE 95 HG12 ILE 95 81.222 5.173 -1.102 768 HG13 ILE 95 HG13 ILE 95 81.532 5.629 -2.773 769 HG21 ILE 95 HG21 ILE 95 78.603 4.751 -0.601 770 HG22 ILE 95 HG22 ILE 95 77.739 6.243 -0.970 771 HG23 ILE 95 HG23 ILE 95 79.242 6.301 -0.051 772 HD11 ILE 95 HD11 ILE 95 81.701 7.893 -2.271 773 HD12 ILE 95 HD12 ILE 95 82.401 7.166 -0.830 774 HD13 ILE 95 HD13 ILE 95 80.738 7.745 -0.804 775 H ALA 96 H ALA 96 77.467 5.715 -4.691 776 HA ALA 96 HA ALA 96 75.084 5.185 -3.247 777 HB1 ALA 96 HB1 ALA 96 75.406 5.615 -6.226 778 HB2 ALA 96 HB2 ALA 96 75.319 6.914 -5.036 779 HB3 ALA 96 HB3 ALA 96 73.936 5.845 -5.278 780 H TYR 97 H TYR 97 76.913 3.435 -5.691 781 HA TYR 97 HA TYR 97 74.928 1.385 -6.062 782 HB2 TYR 97 HB2 TYR 97 76.425 1.693 -7.887 783 HB3 TYR 97 HB3 TYR 97 77.839 1.624 -6.835 784 HD1 TYR 97 HD1 TYR 97 75.022 -0.394 -8.206 785 HD2 TYR 97 HD2 TYR 97 78.842 -0.458 -6.245 786 HE1 TYR 97 HE1 TYR 97 75.143 -2.847 -8.525 787 HE2 TYR 97 HE2 TYR 97 78.961 -2.914 -6.565 788 HH TYR 97 HH TYR 97 77.989 -4.615 -8.114 789 H LEU 98 H LEU 98 77.749 1.892 -4.036 790 HA LEU 98 HA LEU 98 78.076 -0.719 -3.043 791 HB2 LEU 98 HB2 LEU 98 78.695 2.018 -1.962 792 HB3 LEU 98 HB3 LEU 98 78.972 0.588 -0.975 793 HG LEU 98 HG LEU 98 80.067 0.831 -3.785 794 HD11 LEU 98 HD11 LEU 98 81.425 2.460 -3.000 795 HD12 LEU 98 HD12 LEU 98 82.203 1.196 -2.051 796 HD13 LEU 98 HD13 LEU 98 80.931 2.183 -1.332 797 HD21 LEU 98 HD21 LEU 98 80.281 -1.395 -3.158 798 HD22 LEU 98 HD22 LEU 98 80.413 -1.014 -1.444 799 HD23 LEU 98 HD23 LEU 98 81.789 -0.749 -2.513 800 H LYS 99 H LYS 99 76.164 2.025 -1.845 801 HA LYS 99 HA LYS 99 75.130 0.825 0.458 802 HB2 LYS 99 HB2 LYS 99 73.946 2.949 -1.335 803 HB3 LYS 99 HB3 LYS 99 73.301 2.517 0.248 804 HG2 LYS 99 HG2 LYS 99 75.343 3.177 1.347 805 HG3 LYS 99 HG3 LYS 99 76.168 3.384 -0.198 806 HD2 LYS 99 HD2 LYS 99 75.449 5.558 0.761 807 HD3 LYS 99 HD3 LYS 99 74.665 5.230 -0.784 808 HE2 LYS 99 HE2 LYS 99 72.601 4.742 0.219 809 HE3 LYS 99 HE3 LYS 99 73.334 4.409 1.789 810 HZ1 LYS 99 HZ1 LYS 99 74.044 6.970 1.333 811 HZ2 LYS 99 HZ2 LYS 99 72.714 6.483 2.272 812 HZ3 LYS 99 HZ3 LYS 99 72.496 6.915 0.643 813 H LYS 100 H LYS 100 73.626 1.086 -2.774 814 HA LYS 100 HA LYS 100 71.393 -0.554 -2.055 815 HB2 LYS 100 HB2 LYS 100 72.445 0.229 -4.782 816 HB3 LYS 100 HB3 LYS 100 70.868 -0.494 -4.460 817 HG2 LYS 100 HG2 LYS 100 70.210 1.418 -3.109 818 HG3 LYS 100 HG3 LYS 100 71.821 2.121 -3.259 819 HD2 LYS 100 HD2 LYS 100 71.537 2.535 -5.587 820 HD3 LYS 100 HD3 LYS 100 70.110 1.502 -5.672 821 HE2 LYS 100 HE2 LYS 100 69.634 4.000 -5.636 822 HE3 LYS 100 HE3 LYS 100 68.800 3.058 -4.401 823 HZ1 LYS 100 HZ1 LYS 100 71.433 4.131 -3.734 824 HZ2 LYS 100 HZ2 LYS 100 70.065 3.916 -2.749 825 HZ3 LYS 100 HZ3 LYS 100 70.145 5.232 -3.822 826 H ALA 101 H ALA 101 74.589 -1.213 -3.242 827 HA ALA 101 HA ALA 101 73.918 -3.897 -4.151 828 HB1 ALA 101 HB1 ALA 101 76.600 -2.526 -3.856 829 HB2 ALA 101 HB2 ALA 101 75.639 -2.607 -5.334 830 HB3 ALA 101 HB3 ALA 101 76.317 -4.079 -4.642 831 H THR 102 H THR 102 75.047 -2.347 -1.270 832 HA THR 102 HA THR 102 75.976 -4.876 -0.108 833 HB THR 102 HB THR 102 76.589 -3.411 1.837 834 HG1 THR 102 HG1 THR 102 75.256 -1.610 0.212 835 HG21 THR 102 HG21 THR 102 77.623 -2.885 -0.945 836 HG22 THR 102 HG22 THR 102 78.351 -3.850 0.337 837 HG23 THR 102 HG23 THR 102 78.338 -2.091 0.458 838 H ASN 103 H ASN 103 73.122 -3.382 -0.584 839 HA ASN 103 HA ASN 103 71.967 -4.043 2.041 840 HB2 ASN 103 HB2 ASN 103 71.014 -2.441 -0.325 841 HB3 ASN 103 HB1 ASN 103 69.911 -2.951 0.947 842 HD21 ASN 103 HD21 ASN 103 73.268 -2.206 1.703 843 HD22 ASN 103 HD22 ASN 103 72.944 -0.765 2.536 844 H GLU 104 H GLU 104 72.141 -5.111 -1.245 845 HA GLU 104 HA GLU 104 69.796 -6.771 -1.189 846 HB2 GLU 104 HB2 GLU 104 72.180 -6.579 -3.028 847 HB3 GLU 104 HB3 GLU 104 70.930 -7.804 -3.244 848 HG2 GLU 104 HG2 GLU 104 70.169 -4.905 -2.942 849 HG3 GLU 104 HG3 GLU 104 70.698 -5.523 -4.506 850 HHA HEC 201 HA HEC 105 89.120 -3.357 3.330 851 HHB HEC 201 HB HEC 105 85.330 -0.006 -0.459 852 HHC HEC 201 HC HEC 105 88.800 -1.764 -5.450 853 HHD HEC 201 HD HEC 105 92.104 -5.683 -1.739 854 HMA1 HEC 201 HMA1 HEC 105 84.386 -0.159 1.515 855 HMA2 HEC 201 HMA2 HEC 105 85.486 0.893 2.405 856 HMA3 HEC 201 HMA3 HEC 105 84.752 -0.498 3.202 857 HAA1 HEC 201 HAA1 HEC 105 86.511 -0.898 4.516 858 HAA2 HEC 201 HAA2 HEC 105 88.095 -1.647 4.533 859 HBA1 HEC 201 HBA1 HEC 105 87.113 -3.856 4.413 860 HBA2 HEC 201 HBA2 HEC 105 85.502 -3.169 4.229 861 HMB1 HEC 201 HMB1 HEC 105 84.753 1.224 -3.959 862 HMB2 HEC 201 HMB2 HEC 105 84.773 1.292 -2.201 863 HMB3 HEC 201 HMB3 HEC 105 83.945 -0.028 -3.022 864 HAB HEC 201 HAB HEC 105 87.289 -0.613 -6.169 865 HBB1 HEC 201 HBB1 HEC 105 87.960 1.600 -5.833 866 HBB2 HEC 201 HBB2 HEC 105 86.379 1.791 -6.587 867 HBB3 HEC 201 HBB3 HEC 105 86.555 1.984 -4.844 868 HMC1 HEC 201 HMC1 HEC 105 91.432 -2.615 -6.469 869 HMC2 HEC 201 HMC2 HEC 105 89.815 -3.261 -6.737 870 HMC3 HEC 201 HMC3 HEC 105 91.201 -4.343 -6.725 871 HAC HEC 201 HAC HEC 105 92.611 -6.124 -3.645 872 HBC1 HEC 201 HBC1 HEC 105 93.287 -5.155 -6.338 873 HBC2 HEC 201 HBC2 HEC 105 94.347 -5.512 -4.976 874 HBC3 HEC 201 HBC3 HEC 105 93.543 -3.947 -5.079 875 HMD1 HEC 201 HMD1 HEC 105 93.352 -6.105 0.151 876 HMD2 HEC 201 HMD2 HEC 105 92.175 -7.352 0.562 877 HMD3 HEC 201 HMD3 HEC 105 93.016 -6.475 1.840 878 HAD1 HEC 201 HAD1 HEC 105 91.420 -6.269 3.431 879 HAD2 HEC 201 HAD2 HEC 105 90.211 -5.112 3.940 880 HBD1 HEC 201 HBD1 HEC 105 92.587 -3.646 3.312 881 HBD2 HEC 201 HBD2 HEC 105 93.045 -5.009 4.328 882 H1 HOH 301 H2 HOH 200 82.614 3.876 -0.389 883 H2 HOH 301 H1 HOH 200 83.700 3.432 -1.342 884 H1 HOH 302 H2 HOH 201 85.446 5.024 6.025 885 H2 HOH 302 H1 HOH 201 86.428 5.815 5.182 886 H1 HOH 303 H2 HOH 202 82.742 -5.249 5.366 887 H2 HOH 303 H1 HOH 202 83.345 -6.614 5.624 888 H1 HOH 304 H2 HOH 203 83.288 -9.439 -0.576 889 H2 HOH 304 H1 HOH 203 83.306 -10.369 0.615 Start of MODEL 21 1 H1 GLY 1 H1 GLY 1 75.655 10.202 -8.108 2 H2 GLY 1 H2 GLY 1 76.459 9.482 -6.795 3 H3 GLY 1 H3 GLY 1 75.797 11.039 -6.639 4 HA2 GLY 1 HA2 GLY 1 74.574 8.849 -5.774 5 HA3 GLY 1 HA3 GLY 1 73.715 10.297 -6.302 6 H ASP 2 H ASP 2 75.498 8.626 -8.714 7 HA ASP 2 HA ASP 2 72.980 7.706 -9.941 8 HB2 ASP 2 HB2 ASP 2 75.699 7.912 -11.237 9 HB3 ASP 2 HB1 ASP 2 74.134 7.738 -12.029 10 H VAL 3 H VAL 3 72.735 5.798 -8.731 11 HA VAL 3 HA VAL 3 74.571 3.816 -8.213 12 HB VAL 3 HB VAL 3 72.306 3.691 -7.362 13 HG11 VAL 3 HG11 VAL 3 70.415 3.184 -8.867 14 HG12 VAL 3 HG12 VAL 3 71.499 3.271 -10.257 15 HG13 VAL 3 HG13 VAL 3 71.175 4.716 -9.299 16 HG21 VAL 3 HG21 VAL 3 71.896 1.359 -7.694 17 HG22 VAL 3 HG22 VAL 3 73.638 1.565 -7.864 18 HG23 VAL 3 HG23 VAL 3 72.629 1.388 -9.298 19 H GLU 4 H GLU 4 73.387 4.869 -11.256 20 HA GLU 4 HA GLU 4 73.831 2.428 -12.702 21 HB2 GLU 4 HB2 GLU 4 73.468 5.298 -13.566 22 HB3 GLU 4 HB3 GLU 4 73.706 3.975 -14.708 23 HG2 GLU 4 HG2 GLU 4 71.554 3.895 -12.589 24 HG3 GLU 4 HG3 GLU 4 71.275 4.600 -14.180 25 H LYS 5 H LYS 5 75.583 5.549 -12.712 26 HA LYS 5 HA LYS 5 77.846 4.418 -14.067 27 HB2 LYS 5 HB2 LYS 5 77.276 7.058 -12.735 28 HB3 LYS 5 HB3 LYS 5 78.911 6.656 -13.260 29 HG2 LYS 5 HG2 LYS 5 78.268 6.487 -15.531 30 HG3 LYS 5 HG3 LYS 5 76.555 6.375 -15.128 31 HD2 LYS 5 HD2 LYS 5 78.050 8.842 -14.304 32 HD3 LYS 5 HD3 LYS 5 77.600 8.661 -16.000 33 HE2 LYS 5 HE2 LYS 5 75.284 8.552 -15.489 34 HE3 LYS 5 HE3 LYS 5 75.593 8.266 -13.778 35 HZ1 LYS 5 HZ1 LYS 5 75.307 10.454 -13.572 36 HZ2 LYS 5 HZ2 LYS 5 75.498 10.743 -15.236 37 HZ3 LYS 5 HZ3 LYS 5 76.862 10.604 -14.233 38 H GLY 6 H GLY 6 76.780 4.541 -10.822 39 HA2 GLY 6 HA2 GLY 6 79.342 4.350 -9.547 40 HA3 GLY 6 HA3 GLY 6 77.783 3.959 -8.817 41 H LYS 7 H LYS 7 76.950 2.135 -10.831 42 HA LYS 7 HA LYS 7 78.125 -0.273 -9.867 43 HB2 LYS 7 HB2 LYS 7 75.785 -0.156 -10.600 44 HB3 LYS 7 HB3 LYS 7 76.307 0.222 -12.239 45 HG2 LYS 7 HG2 LYS 7 77.561 -2.205 -11.112 46 HG3 LYS 7 HG3 LYS 7 75.813 -2.323 -11.300 47 HD2 LYS 7 HD2 LYS 7 76.053 -1.559 -13.667 48 HD3 LYS 7 HD3 LYS 7 77.805 -1.580 -13.463 49 HE2 LYS 7 HE2 LYS 7 77.433 -3.693 -14.366 50 HE3 LYS 7 HE3 LYS 7 77.380 -4.048 -12.639 51 HZ1 LYS 7 HZ1 LYS 7 75.063 -4.116 -12.652 52 HZ2 LYS 7 HZ2 LYS 7 75.503 -4.939 -14.071 53 HZ3 LYS 7 HZ3 LYS 7 74.943 -3.337 -14.153 54 H LYS 8 H LYS 8 78.389 1.589 -12.880 55 HA LYS 8 HA LYS 8 79.999 -0.220 -14.315 56 HB2 LYS 8 HB2 LYS 8 78.930 1.654 -15.416 57 HB3 LYS 8 HB3 LYS 8 79.851 2.799 -14.440 58 HG2 LYS 8 HG2 LYS 8 81.509 0.818 -15.889 59 HG3 LYS 8 HG3 LYS 8 80.616 1.920 -16.934 60 HD2 LYS 8 HD2 LYS 8 82.152 3.001 -14.578 61 HD3 LYS 8 HD3 LYS 8 82.989 2.624 -16.083 62 HE2 LYS 8 HE2 LYS 8 80.512 4.357 -16.004 63 HE3 LYS 8 HE3 LYS 8 82.138 5.023 -15.852 64 HZ1 LYS 8 HZ1 LYS 8 80.832 3.807 -18.163 65 HZ2 LYS 8 HZ2 LYS 8 82.499 3.531 -17.978 66 HZ3 LYS 8 HZ3 LYS 8 81.905 5.119 -18.090 67 H ILE 9 H ILE 9 80.894 2.523 -12.227 68 HA ILE 9 HA ILE 9 83.698 2.213 -12.522 69 HB ILE 9 HB ILE 9 82.107 3.466 -10.274 70 HG12 ILE 9 HG12 ILE 9 83.509 4.857 -12.564 71 HG13 ILE 9 HG13 ILE 9 81.829 4.334 -12.692 72 HG21 ILE 9 HG21 ILE 9 84.373 3.017 -9.546 73 HG22 ILE 9 HG22 ILE 9 84.249 4.737 -9.916 74 HG23 ILE 9 HG23 ILE 9 85.029 3.643 -11.059 75 HD11 ILE 9 HD11 ILE 9 81.307 5.635 -10.624 76 HD12 ILE 9 HD12 ILE 9 81.886 6.655 -11.942 77 HD13 ILE 9 HD13 ILE 9 82.968 6.229 -10.616 78 H PHE 10 H PHE 10 81.332 0.569 -10.617 79 HA PHE 10 HA PHE 10 83.199 -0.429 -8.653 80 HB2 PHE 10 HB2 PHE 10 81.063 -0.324 -7.763 81 HB3 PHE 10 HB1 PHE 10 80.298 -0.852 -9.262 82 HD1 PHE 10 HD1 PHE 10 80.237 -3.221 -9.887 83 HD2 PHE 10 HD2 PHE 10 82.031 -1.931 -6.209 84 HE1 PHE 10 HE1 PHE 10 80.263 -5.565 -9.082 85 HE2 PHE 10 HE2 PHE 10 82.066 -4.276 -5.404 86 HZ PHE 10 HZ PHE 10 81.179 -6.095 -6.841 87 H VAL 11 H VAL 11 81.373 -1.939 -11.335 88 HA VAL 11 HA VAL 11 82.396 -4.511 -11.103 89 HB VAL 11 HB VAL 11 81.867 -4.758 -13.524 90 HG11 VAL 11 HG11 VAL 11 80.156 -4.785 -11.599 91 HG12 VAL 11 HG12 VAL 11 79.532 -4.549 -13.230 92 HG13 VAL 11 HG13 VAL 11 79.705 -3.171 -12.145 93 HG21 VAL 11 HG21 VAL 11 81.212 -1.810 -13.307 94 HG22 VAL 11 HG22 VAL 11 80.941 -2.827 -14.719 95 HG23 VAL 11 HG23 VAL 11 82.586 -2.471 -14.191 96 H GLN 12 H GLN 12 83.824 -1.666 -12.550 97 HA GLN 12 HA GLN 12 86.028 -3.259 -13.644 98 HB2 GLN 12 HB2 GLN 12 86.705 -1.251 -14.772 99 HB3 GLN 12 HB1 GLN 12 84.967 -1.455 -14.982 100 HG2 GLN 12 HG2 GLN 12 84.634 0.082 -13.002 101 HG3 GLN 12 HG1 GLN 12 86.369 0.404 -13.047 102 HE21 GLN 12 HE21 GLN 12 85.680 -0.126 -16.203 103 HE22 GLN 12 HE22 GLN 12 85.298 1.450 -16.697 104 H LYS 13 H LYS 13 85.394 -1.123 -10.937 105 HA LYS 13 HA LYS 13 88.285 -0.925 -10.410 106 HB2 LYS 13 HB2 LYS 13 86.651 1.079 -10.400 107 HB3 LYS 13 HB3 LYS 13 86.184 0.488 -8.805 108 HG2 LYS 13 HG2 LYS 13 87.921 1.940 -8.254 109 HG3 LYS 13 HG3 LYS 13 88.792 0.415 -8.397 110 HD2 LYS 13 HD2 LYS 13 90.128 1.764 -9.730 111 HD3 LYS 13 HD3 LYS 13 88.998 1.171 -10.945 112 HE2 LYS 13 HE2 LYS 13 89.101 3.538 -11.251 113 HE3 LYS 13 HE3 LYS 13 87.572 3.225 -10.433 114 HZ1 LYS 13 HZ1 LYS 13 89.785 3.598 -8.637 115 HZ2 LYS 13 HZ2 LYS 13 88.240 4.306 -8.619 116 HZ3 LYS 13 HZ3 LYS 13 89.468 4.960 -9.594 117 H CYS 14 H CYS 14 85.405 -1.422 -8.304 118 HA CYS 14 HA CYS 14 87.111 -2.661 -6.321 119 HB2 CYS 14 HB2 CYS 14 84.137 -2.583 -6.097 120 HB3 CYS 14 HB1 CYS 14 85.349 -2.437 -4.831 121 H ALA 15 H ALA 15 84.607 -3.855 -8.532 122 HA ALA 15 HA ALA 15 84.095 -6.320 -7.436 123 HB1 ALA 15 HB1 ALA 15 82.893 -5.883 -9.377 124 HB2 ALA 15 HB2 ALA 15 84.038 -7.102 -9.932 125 HB3 ALA 15 HB3 ALA 15 84.330 -5.398 -10.277 126 H GLN 16 H GLN 16 87.043 -5.215 -8.916 127 HA GLN 16 HA GLN 16 88.325 -7.527 -9.655 128 HB2 GLN 16 HB2 GLN 16 89.308 -4.989 -8.395 129 HB3 GLN 16 HB1 GLN 16 90.432 -6.311 -8.705 130 HG2 GLN 16 HG2 GLN 16 89.873 -6.311 -11.064 131 HG3 GLN 16 HG1 GLN 16 88.593 -5.127 -10.802 132 HE21 GLN 16 HE21 GLN 16 89.713 -3.148 -9.313 133 HE22 GLN 16 HE22 GLN 16 91.092 -2.505 -10.067 134 H CYS 17 H CYS 17 88.447 -6.114 -6.352 135 HA CYS 17 HA CYS 17 88.899 -8.858 -5.335 136 HB2 CYS 17 HB2 CYS 17 90.128 -6.669 -3.775 137 HB3 CYS 17 HB1 CYS 17 90.756 -8.264 -4.165 138 H HIS 18 H HSD 18 86.347 -8.037 -5.378 139 HA HIS 18 HA HSD 18 85.718 -7.861 -2.557 140 HB2 HIS 18 HB2 HSD 18 85.192 -5.558 -4.411 141 HB3 HIS 18 HB1 HSD 18 84.095 -5.880 -3.070 142 HD1 HIS 18 HD1 HSD 18 85.105 -5.717 -0.635 143 HD2 HIS 18 HD2 HSD 18 87.685 -4.497 -3.668 144 HE1 HIS 18 HE1 HSD 18 86.993 -4.458 0.494 145 H THR 19 H THR 19 83.130 -7.469 -2.466 146 HA THR 19 HA THR 19 81.844 -9.083 -4.567 147 HB THR 19 HB THR 19 80.900 -9.746 -1.871 148 HG1 THR 19 HG1 THR 19 83.109 -11.145 -2.105 149 HG21 THR 19 HG21 THR 19 80.848 -11.936 -2.758 150 HG22 THR 19 HG22 THR 19 82.095 -11.572 -3.951 151 HG23 THR 19 HG23 THR 19 80.475 -10.900 -4.134 152 H VAL 20 H VAL 20 81.501 -7.009 -1.731 153 HA VAL 20 HA VAL 20 79.768 -5.683 -0.997 154 HB VAL 20 HB VAL 20 79.114 -3.996 -2.602 155 HG11 VAL 20 HG11 VAL 20 81.964 -4.953 -2.994 156 HG12 VAL 20 HG12 VAL 20 81.392 -3.859 -1.737 157 HG13 VAL 20 HG13 VAL 20 81.374 -3.348 -3.422 158 HG21 VAL 20 HG21 VAL 20 78.686 -5.692 -4.460 159 HG22 VAL 20 HG22 VAL 20 80.424 -5.684 -4.736 160 HG23 VAL 20 HG23 VAL 20 79.494 -4.206 -4.951 161 H GLU 21 H GLU 21 78.900 -8.394 -1.641 162 HA GLU 21 HA GLU 21 76.066 -7.767 -2.187 163 HB2 GLU 21 HB2 GLU 21 75.788 -9.607 -3.636 164 HB3 GLU 21 HB3 GLU 21 77.280 -8.839 -4.176 165 HG2 GLU 21 HG2 GLU 21 78.466 -10.492 -2.566 166 HG3 GLU 21 HG3 GLU 21 76.941 -11.376 -2.588 167 H LYS 22 H LYS 22 74.916 -8.257 -0.462 168 HA LYS 22 HA LYS 22 75.822 -9.674 1.762 169 HB2 LYS 22 HB2 LYS 22 73.870 -8.115 1.719 170 HB3 LYS 22 HB3 LYS 22 72.941 -9.366 0.894 171 HG2 LYS 22 HG2 LYS 22 72.878 -10.753 2.765 172 HG3 LYS 22 HG3 LYS 22 74.346 -10.061 3.457 173 HD2 LYS 22 HD2 LYS 22 73.197 -8.048 4.094 174 HD3 LYS 22 HD3 LYS 22 71.757 -8.518 3.190 175 HE2 LYS 22 HE2 LYS 22 71.249 -10.279 4.710 176 HE3 LYS 22 HE3 LYS 22 72.847 -10.199 5.453 177 HZ1 LYS 22 HZ1 LYS 22 70.857 -7.999 5.537 178 HZ2 LYS 22 HZ2 LYS 22 72.337 -8.071 6.369 179 HZ3 LYS 22 HZ3 LYS 22 71.075 -9.133 6.780 180 H GLY 23 H GLY 23 75.595 -11.765 2.476 181 HA2 GLY 23 HA2 GLY 23 75.319 -14.045 2.371 182 HA3 GLY 23 HA3 GLY 23 74.047 -13.764 1.186 183 H GLY 24 H GLY 24 77.166 -12.436 0.544 184 HA2 GLY 24 HA2 GLY 24 77.477 -14.246 -1.737 185 HA3 GLY 24 HA3 GLY 24 78.372 -12.757 -1.455 186 H LYS 25 H LYS 25 80.428 -13.508 -1.608 187 HA LYS 25 HA LYS 25 81.401 -15.119 0.617 188 HB2 LYS 25 HB2 LYS 25 82.624 -16.674 -0.880 189 HB3 LYS 25 HB3 LYS 25 80.874 -16.839 -1.024 190 HG2 LYS 25 HG2 LYS 25 81.153 -15.070 -2.960 191 HG3 LYS 25 HG3 LYS 25 82.826 -15.628 -2.963 192 HD2 LYS 25 HD2 LYS 25 82.064 -17.949 -3.272 193 HD3 LYS 25 HD3 LYS 25 80.386 -17.407 -3.247 194 HE2 LYS 25 HE2 LYS 25 80.999 -15.876 -5.202 195 HE3 LYS 25 HE3 LYS 25 82.503 -16.791 -5.316 196 HZ1 LYS 25 HZ1 LYS 25 80.287 -18.540 -5.099 197 HZ2 LYS 25 HZ2 LYS 25 81.450 -18.433 -6.333 198 HZ3 LYS 25 HZ3 LYS 25 80.052 -17.468 -6.391 199 H HIS 26 H HIS 26 82.960 -13.856 1.399 200 HA HIS 26 HA HIS 26 84.263 -11.789 0.067 201 HB2 HIS 26 HB2 HIS 26 86.073 -12.212 1.901 202 HB3 HIS 26 HB1 HIS 26 84.454 -11.714 2.390 203 HD1 HIS 26 HD1 HIS 26 85.743 -15.170 1.406 204 HD2 HIS 26 HD2 HIS 26 83.926 -13.247 4.627 205 HE1 HIS 26 HE1 HIS 26 85.266 -16.961 3.133 206 HE2 HIS 26 HE2 HIS 26 84.157 -15.804 5.102 207 H LYS 27 H LYS 27 85.834 -11.704 -1.397 208 HA LYS 27 HA LYS 27 87.664 -13.996 -1.697 209 HB2 LYS 27 HB2 LYS 27 87.450 -13.560 -4.236 210 HB3 LYS 27 HB3 LYS 27 86.160 -14.461 -3.441 211 HG2 LYS 27 HG2 LYS 27 84.669 -12.662 -3.510 212 HG3 LYS 27 HG3 LYS 27 85.957 -11.467 -3.638 213 HD2 LYS 27 HD2 LYS 27 85.028 -11.528 -5.807 214 HD3 LYS 27 HD3 LYS 27 86.462 -12.543 -5.940 215 HE2 LYS 27 HE2 LYS 27 84.783 -13.837 -6.969 216 HE3 LYS 27 HE3 LYS 27 84.862 -14.504 -5.339 217 HZ1 LYS 27 HZ1 LYS 27 82.799 -13.840 -4.919 218 HZ2 LYS 27 HZ2 LYS 27 82.639 -13.506 -6.577 219 HZ3 LYS 27 HZ3 LYS 27 83.091 -12.274 -5.499 220 H THR 28 H THR 28 89.726 -13.370 -1.816 221 HA THR 28 HA THR 28 91.532 -11.933 -1.730 222 HB THR 28 HB THR 28 90.331 -10.568 -4.123 223 HG1 THR 28 HG1 THR 28 90.036 -12.972 -4.043 224 HG21 THR 28 HG21 THR 28 92.673 -10.730 -4.912 225 HG22 THR 28 HG22 THR 28 93.105 -11.573 -3.425 226 HG23 THR 28 HG23 THR 28 92.569 -9.895 -3.363 227 H GLY 29 H GLY 29 89.068 -11.073 -0.312 228 HA2 GLY 29 HA2 GLY 29 89.857 -8.654 0.728 229 HA3 GLY 29 HA3 GLY 29 88.800 -8.235 -0.617 230 HA PRO 30 HA PRO 30 86.344 -9.513 3.253 231 HB2 PRO 30 HB2 PRO 30 85.794 -7.092 4.359 232 HB3 PRO 30 HB1 PRO 30 87.264 -8.005 4.750 233 HG2 PRO 30 HG2 PRO 30 86.909 -5.700 2.893 234 HG3 PRO 30 HG1 PRO 30 88.222 -6.037 4.034 235 HD2 PRO 30 HD2 PRO 30 88.404 -6.538 1.333 236 HD3 PRO 30 HD1 PRO 30 89.322 -7.437 2.563 237 H ASN 31 H ASN 31 84.038 -8.945 3.697 238 HA ASN 31 HA ASN 31 82.691 -8.160 1.208 239 HB2 ASN 31 HB2 ASN 31 80.761 -9.255 2.093 240 HB3 ASN 31 HB1 ASN 31 82.132 -10.301 2.457 241 HD21 ASN 31 HD21 ASN 31 82.618 -10.700 4.667 242 HD22 ASN 31 HD22 ASN 31 81.739 -10.021 5.950 243 H LEU 32 H LEU 32 81.913 -6.159 0.986 244 HA LEU 32 HA LEU 32 81.865 -4.317 3.198 245 HB2 LEU 32 HB2 LEU 32 80.686 -3.782 0.480 246 HB3 LEU 32 HB3 LEU 32 81.393 -2.637 1.614 247 HG LEU 32 HG LEU 32 82.814 -4.693 -0.086 248 HD11 LEU 32 HD11 LEU 32 82.201 -2.040 -0.531 249 HD12 LEU 32 HD12 LEU 32 83.535 -2.904 -1.291 250 HD13 LEU 32 HD13 LEU 32 83.823 -1.930 0.149 251 HD21 LEU 32 HD21 LEU 32 84.887 -3.736 1.137 252 HD22 LEU 32 HD22 LEU 32 83.922 -4.938 1.993 253 HD23 LEU 32 HD23 LEU 32 83.750 -3.227 2.381 254 H HIS 33 H HIS 33 80.024 -6.611 3.381 255 HA HIS 33 HA HIS 33 77.361 -5.877 2.824 256 HB2 HIS 33 HB2 HIS 33 78.413 -7.596 5.086 257 HB3 HIS 33 HB1 HIS 33 76.739 -7.536 4.537 258 HD1 HIS 33 HD1 HIS 33 78.078 -10.224 4.348 259 HD2 HIS 33 HD2 HIS 33 78.295 -7.424 1.267 260 HE1 HIS 33 HE1 HIS 33 78.596 -11.521 2.237 261 HE2 HIS 33 HE2 HIS 33 78.727 -9.830 0.349 262 H GLY 34 H GLY 34 75.880 -4.627 3.896 263 HA2 GLY 34 HA2 GLY 34 75.307 -2.751 5.168 264 HA3 GLY 34 HA3 GLY 34 75.619 -3.890 6.476 265 H LEU 35 H LEU 35 78.114 -2.831 4.304 266 HA LEU 35 HA LEU 35 80.080 -2.237 6.064 267 HB2 LEU 35 HB2 LEU 35 80.423 -2.213 3.663 268 HB3 LEU 35 HB3 LEU 35 79.397 -0.794 3.493 269 HG LEU 35 HG LEU 35 81.131 0.273 5.190 270 HD11 LEU 35 HD11 LEU 35 83.299 -0.638 5.167 271 HD12 LEU 35 HD12 LEU 35 82.961 -1.635 3.755 272 HD13 LEU 35 HD13 LEU 35 82.275 -2.065 5.320 273 HD21 LEU 35 HD21 LEU 35 81.918 -0.216 2.307 274 HD22 LEU 35 HD22 LEU 35 82.360 1.166 3.308 275 HD23 LEU 35 HD23 LEU 35 80.685 0.942 2.805 276 H PHE 36 H PHE 36 77.862 0.216 4.758 277 HA PHE 36 HA PHE 36 78.713 2.358 6.322 278 HB2 PHE 36 HB2 PHE 36 75.860 1.938 5.425 279 HB3 PHE 36 HB1 PHE 36 76.708 3.466 5.662 280 HD1 PHE 36 HD2 PHE 36 76.535 0.413 3.545 281 HD2 PHE 36 HD1 PHE 36 78.140 4.377 3.963 282 HE1 PHE 36 HE2 PHE 36 77.343 0.337 1.204 283 HE2 PHE 36 HE1 PHE 36 78.942 4.300 1.627 284 HZ PHE 36 HZ PHE 36 78.543 2.283 0.245 285 H GLY 37 H GLY 37 79.040 1.851 8.495 286 HA2 GLY 37 HA2 GLY 37 77.467 2.473 10.466 287 HA3 GLY 37 HA3 GLY 37 76.691 0.958 10.039 288 H ARG 38 H ARG 38 79.356 -0.275 9.356 289 HA ARG 38 HA ARG 38 79.974 -1.112 12.082 290 HB2 ARG 38 HB2 ARG 38 80.403 -2.185 9.363 291 HB3 ARG 38 HB3 ARG 38 81.688 -2.534 10.516 292 HG2 ARG 38 HG2 ARG 38 79.896 -3.349 12.117 293 HG3 ARG 38 HG3 ARG 38 78.747 -3.210 10.786 294 HD2 ARG 38 HD2 ARG 38 81.233 -4.684 10.139 295 HD3 ARG 38 HD3 ARG 38 80.196 -5.467 11.324 296 HE ARG 38 HE ARG 38 78.371 -5.014 9.523 297 HH11 ARG 38 HH21 ARG 38 81.712 -5.791 8.934 298 HH12 ARG 38 HH22 ARG 38 81.395 -6.563 7.418 299 HH21 ARG 38 HH11 ARG 38 77.973 -6.047 7.553 300 HH22 ARG 38 HH12 ARG 38 79.287 -6.717 6.643 301 H LYS 39 H LYS 39 82.152 -1.290 12.877 302 HA LYS 39 HA LYS 39 83.680 1.117 12.424 303 HB2 LYS 39 HB2 LYS 39 83.824 -1.194 14.324 304 HB3 LYS 39 HB3 LYS 39 85.232 -0.150 14.136 305 HG2 LYS 39 HG2 LYS 39 82.558 1.145 14.537 306 HG3 LYS 39 HG3 LYS 39 83.346 0.408 15.931 307 HD2 LYS 39 HD2 LYS 39 85.377 1.753 15.492 308 HD3 LYS 39 HD3 LYS 39 84.573 2.504 14.113 309 HE2 LYS 39 HE2 LYS 39 82.954 3.565 15.510 310 HE3 LYS 39 HE3 LYS 39 83.411 2.587 16.903 311 HZ1 LYS 39 HZ1 LYS 39 84.639 4.973 15.844 312 HZ2 LYS 39 HZ2 LYS 39 85.741 3.739 16.230 313 HZ3 LYS 39 HZ3 LYS 39 84.681 4.336 17.416 314 H THR 40 H THR 40 86.082 0.994 12.134 315 HA THR 40 HA THR 40 86.728 -0.306 9.724 316 HB THR 40 HB THR 40 89.132 0.337 10.436 317 HG1 THR 40 HG1 THR 40 87.915 2.049 12.238 318 HG21 THR 40 HG21 THR 40 87.854 1.675 8.871 319 HG22 THR 40 HG22 THR 40 88.612 2.757 10.040 320 HG23 THR 40 HG23 THR 40 86.899 2.365 10.184 321 H GLY 41 H GLY 41 87.944 -2.076 9.225 322 HA2 GLY 41 HA2 GLY 41 88.559 -4.283 9.470 323 HA3 GLY 41 HA3 GLY 41 89.558 -3.643 10.772 324 H GLN 42 H GLN 42 86.041 -4.073 10.390 325 HA GLN 42 HA GLN 42 86.035 -5.565 12.952 326 HB2 GLN 42 HB2 GLN 42 84.871 -3.408 13.090 327 HB3 GLN 42 HB1 GLN 42 83.846 -3.869 11.730 328 HG2 GLN 42 HG2 GLN 42 82.810 -5.617 12.967 329 HG3 GLN 42 HG1 GLN 42 84.034 -5.549 14.233 330 HE21 GLN 42 HE21 GLN 42 81.821 -3.157 12.657 331 HE22 GLN 42 HE22 GLN 42 81.302 -2.470 14.120 332 H ALA 43 H ALA 43 85.264 -5.655 9.601 333 HA ALA 43 HA ALA 43 83.191 -7.560 9.608 334 HB1 ALA 43 HB1 ALA 43 84.834 -6.240 7.674 335 HB2 ALA 43 HB2 ALA 43 83.299 -7.070 7.420 336 HB3 ALA 43 HB3 ALA 43 84.814 -7.964 7.301 337 HA PRO 44 HA PRO 44 85.733 -11.028 10.921 338 HB2 PRO 44 HB2 PRO 44 83.783 -12.897 11.069 339 HB3 PRO 44 HB1 PRO 44 83.913 -11.582 12.254 340 HG2 PRO 44 HG2 PRO 44 82.084 -11.844 9.913 341 HG3 PRO 44 HG1 PRO 44 81.750 -11.230 11.542 342 HD2 PRO 44 HD2 PRO 44 82.232 -9.608 9.354 343 HD3 PRO 44 HD1 PRO 44 82.510 -9.114 11.040 344 H GLY 45 H GLY 45 87.082 -11.832 9.377 345 HA2 GLY 45 HA2 GLY 45 86.614 -14.013 7.821 346 HA3 GLY 45 HA3 GLY 45 86.113 -12.679 6.789 347 H PHE 46 H PHE 46 87.698 -11.033 6.264 348 HA PHE 46 HA PHE 46 90.238 -12.160 5.611 349 HB2 PHE 46 HB2 PHE 46 88.912 -10.357 4.338 350 HB3 PHE 46 HB1 PHE 46 89.576 -9.220 5.512 351 HD1 PHE 46 HD1 PHE 46 90.378 -11.553 2.767 352 HD2 PHE 46 HD2 PHE 46 91.950 -8.687 5.553 353 HE1 PHE 46 HE1 PHE 46 92.504 -11.479 1.492 354 HE2 PHE 46 HE2 PHE 46 94.076 -8.613 4.279 355 HZ PHE 46 HZ PHE 46 94.352 -10.010 2.248 356 H THR 47 H THR 47 92.312 -11.460 6.295 357 HA THR 47 HA THR 47 92.472 -10.920 9.121 358 HB THR 47 HB THR 47 94.039 -12.475 8.057 359 HG1 THR 47 HG1 THR 47 95.833 -11.662 9.062 360 HG21 THR 47 HG21 THR 47 95.599 -10.316 6.780 361 HG22 THR 47 HG22 THR 47 94.079 -10.706 5.977 362 HG23 THR 47 HG23 THR 47 95.293 -11.960 6.226 363 H TYR 48 H TYR 48 91.504 -8.831 9.218 364 HA TYR 48 HA TYR 48 92.370 -6.573 7.792 365 HB2 TYR 48 HB2 TYR 48 90.930 -7.016 10.373 366 HB3 TYR 48 HB3 TYR 48 91.497 -5.393 9.993 367 HD1 TYR 48 HD2 TYR 48 91.034 -4.637 7.487 368 HD2 TYR 48 HD1 TYR 48 88.800 -7.621 9.611 369 HE1 TYR 48 HE2 TYR 48 89.119 -4.286 5.958 370 HE2 TYR 48 HE1 TYR 48 86.882 -7.267 8.083 371 HH TYR 48 HH TYR 48 86.458 -4.675 6.242 372 H THR 49 H THR 49 93.748 -4.871 8.344 373 HA THR 49 HA THR 49 96.133 -5.690 9.780 374 HB THR 49 HB THR 49 97.032 -3.520 9.036 375 HG1 THR 49 HG1 THR 49 94.341 -3.166 8.278 376 HG21 THR 49 HG21 THR 49 95.559 -4.552 6.645 377 HG22 THR 49 HG22 THR 49 96.632 -5.660 7.498 378 HG23 THR 49 HG23 THR 49 97.268 -4.161 6.824 379 H ASP 50 H ASP 50 97.104 -4.344 11.464 380 HA ASP 50 HA ASP 50 95.446 -3.927 13.659 381 HB2 ASP 50 HB2 ASP 50 97.854 -4.178 13.893 382 HB3 ASP 50 HB1 ASP 50 98.122 -2.662 13.035 383 H ALA 51 H ALA 51 96.606 -1.594 11.250 384 HA ALA 51 HA ALA 51 95.637 0.753 12.408 385 HB1 ALA 51 HB1 ALA 51 96.042 -0.073 9.537 386 HB2 ALA 51 HB2 ALA 51 97.050 0.983 10.526 387 HB3 ALA 51 HB3 ALA 51 95.471 1.537 9.971 388 H ASN 52 H ASN 52 93.993 -1.583 10.304 389 HA ASN 52 HA ASN 52 91.529 -0.063 10.311 390 HB2 ASN 52 HB2 ASN 52 92.627 -1.999 8.656 391 HB3 ASN 52 HB1 ASN 52 91.352 -2.878 9.491 392 HD21 ASN 52 HD21 ASN 52 90.409 -2.863 7.173 393 HD22 ASN 52 HD22 ASN 52 89.465 -1.523 6.732 394 H LYS 53 H LYS 53 92.988 -2.579 12.174 395 HA LYS 53 HA LYS 53 90.501 -3.394 13.444 396 HB2 LYS 53 HB2 LYS 53 91.785 -5.267 13.527 397 HB3 LYS 53 HB3 LYS 53 93.276 -4.360 13.318 398 HG2 LYS 53 HG2 LYS 53 93.280 -3.760 15.698 399 HG3 LYS 53 HG3 LYS 53 91.739 -4.592 15.923 400 HD2 LYS 53 HD2 LYS 53 92.808 -6.715 15.197 401 HD3 LYS 53 HD3 LYS 53 94.350 -5.867 15.062 402 HE2 LYS 53 HE2 LYS 53 92.745 -5.892 17.623 403 HE3 LYS 53 HE3 LYS 53 93.950 -7.126 17.254 404 HZ1 LYS 53 HZ1 LYS 53 94.544 -4.885 18.508 405 HZ2 LYS 53 HZ2 LYS 53 94.761 -4.349 16.910 406 HZ3 LYS 53 HZ3 LYS 53 95.647 -5.678 17.492 407 H ASN 54 H ASN 54 92.727 -0.911 13.705 408 HA ASN 54 HA ASN 54 92.870 -0.527 16.508 409 HB2 ASN 54 HB2 ASN 54 93.906 1.469 15.999 410 HB3 ASN 54 HB1 ASN 54 94.178 0.583 14.505 411 HD21 ASN 54 HD21 ASN 54 91.501 0.832 13.420 412 HD22 ASN 54 HD22 ASN 54 91.248 2.467 13.045 413 H LYS 55 H LYS 55 90.393 -0.062 14.210 414 HA LYS 55 HA LYS 55 88.255 0.794 14.343 415 HB2 LYS 55 HB2 LYS 55 88.431 0.807 17.335 416 HB3 LYS 55 HB3 LYS 55 87.081 0.348 16.294 417 HG2 LYS 55 HG2 LYS 55 88.718 -1.564 15.509 418 HG3 LYS 55 HG3 LYS 55 89.522 -1.234 17.043 419 HD2 LYS 55 HD2 LYS 55 87.201 -1.440 18.123 420 HD3 LYS 55 HD3 LYS 55 86.677 -2.143 16.591 421 HE2 LYS 55 HE2 LYS 55 88.614 -3.780 16.819 422 HE3 LYS 55 HE3 LYS 55 88.809 -3.186 18.469 423 HZ1 LYS 55 HZ1 LYS 55 86.205 -3.658 18.442 424 HZ2 LYS 55 HZ2 LYS 55 87.350 -4.829 18.896 425 HZ3 LYS 55 HZ3 LYS 55 86.703 -4.832 17.323 426 H GLY 56 H GLY 56 89.657 2.777 13.633 427 HA2 GLY 56 HA2 GLY 56 89.739 4.915 15.613 428 HA3 GLY 56 HA3 GLY 56 90.324 5.002 13.956 429 H ILE 57 H ILE 57 88.004 4.156 12.599 430 HA ILE 57 HA ILE 57 85.935 6.095 13.399 431 HB ILE 57 HB ILE 57 85.805 7.032 11.173 432 HG12 ILE 57 HG12 ILE 57 87.878 6.339 9.646 433 HG13 ILE 57 HG13 ILE 57 87.783 4.846 10.574 434 HG21 ILE 57 HG21 ILE 57 88.689 6.966 12.104 435 HG22 ILE 57 HG22 ILE 57 87.433 7.989 12.799 436 HG23 ILE 57 HG23 ILE 57 87.934 8.223 11.125 437 HD11 ILE 57 HD11 ILE 57 86.399 5.157 8.325 438 HD12 ILE 57 HD12 ILE 57 85.247 5.938 9.402 439 HD13 ILE 57 HD13 ILE 57 85.722 4.264 9.682 440 H THR 58 H THR 58 84.085 5.887 11.602 441 HA THR 58 HA THR 58 83.540 2.992 11.301 442 HB THR 58 HB THR 58 81.567 5.230 11.806 443 HG1 THR 58 HG1 THR 58 81.498 3.487 13.713 444 HG21 THR 58 HG21 THR 58 81.077 2.255 11.913 445 HG22 THR 58 HG22 THR 58 80.830 3.183 10.435 446 HG23 THR 58 HG23 THR 58 79.888 3.555 11.876 447 H TRP 59 H TRP 59 82.733 2.262 9.381 448 HA TRP 59 HA TRP 59 83.174 3.816 7.046 449 HB2 TRP 59 HB2 TRP 59 81.389 1.388 7.165 450 HB3 TRP 59 HB1 TRP 59 82.372 1.967 5.818 451 HD1 TRP 59 HD1 TRP 59 85.093 2.425 7.280 452 HE1 TRP 59 HE1 TRP 59 86.477 0.408 8.100 453 HE3 TRP 59 HE3 TRP 59 81.434 -1.124 7.553 454 HZ2 TRP 59 HZ2 TRP 59 86.072 -2.333 8.815 455 HZ3 TRP 59 HZ3 TRP 59 81.960 -3.424 8.301 456 HH2 TRP 59 HH2 TRP 59 84.275 -4.032 8.932 457 H LYS 60 H LYS 60 81.850 5.102 5.911 458 HA LYS 60 HA LYS 60 78.965 5.010 6.273 459 HB2 LYS 60 HB2 LYS 60 80.608 7.431 7.056 460 HB3 LYS 60 HB3 LYS 60 78.859 7.449 6.829 461 HG2 LYS 60 HG2 LYS 60 78.753 5.547 8.533 462 HG3 LYS 60 HG3 LYS 60 80.441 5.906 8.896 463 HD2 LYS 60 HD2 LYS 60 78.315 8.054 8.955 464 HD3 LYS 60 HD3 LYS 60 78.668 7.056 10.364 465 HE2 LYS 60 HE2 LYS 60 81.059 7.739 10.213 466 HE3 LYS 60 HE3 LYS 60 80.643 8.807 8.873 467 HZ1 LYS 60 HZ1 LYS 60 78.928 9.760 10.493 468 HZ2 LYS 60 HZ2 LYS 60 80.559 10.183 10.716 469 HZ3 LYS 60 HZ3 LYS 60 79.841 9.002 11.705 470 H GLU 61 H GLU 61 78.402 7.493 5.073 471 HA GLU 61 HA GLU 61 78.979 6.849 2.334 472 HB2 GLU 61 HB2 GLU 61 76.821 7.862 3.169 473 HB3 GLU 61 HB3 GLU 61 77.702 9.374 3.396 474 HG2 GLU 61 HG2 GLU 61 78.290 9.429 1.028 475 HG3 GLU 61 HG3 GLU 61 77.519 7.865 0.773 476 H GLU 62 H GLU 62 79.632 9.759 4.310 477 HA GLU 62 HA GLU 62 81.429 10.880 2.405 478 HB2 GLU 62 HB2 GLU 62 81.139 11.472 5.360 479 HB3 GLU 62 HB3 GLU 62 81.975 12.484 4.181 480 HG2 GLU 62 HG2 GLU 62 79.813 12.617 2.885 481 HG3 GLU 62 HG3 GLU 62 79.024 11.806 4.238 482 H THR 63 H THR 63 81.917 9.074 5.425 483 HA THR 63 HA THR 63 84.681 9.223 5.619 484 HB THR 63 HB THR 63 84.556 7.054 6.795 485 HG1 THR 63 HG1 THR 63 82.076 7.041 5.499 486 HG21 THR 63 HG21 THR 63 82.701 7.737 8.412 487 HG22 THR 63 HG22 THR 63 82.404 9.097 7.330 488 HG23 THR 63 HG23 THR 63 83.968 8.929 8.126 489 H LEU 64 H LEU 64 82.657 7.133 3.631 490 HA LEU 64 HA LEU 64 84.762 5.518 2.630 491 HB2 LEU 64 HB2 LEU 64 81.911 5.891 2.086 492 HB3 LEU 64 HB3 LEU 64 82.835 5.530 0.635 493 HG LEU 64 HG LEU 64 82.975 3.911 3.193 494 HD11 LEU 64 HD11 LEU 64 81.877 2.263 1.314 495 HD12 LEU 64 HD12 LEU 64 81.163 3.806 0.850 496 HD13 LEU 64 HD13 LEU 64 80.937 3.186 2.485 497 HD21 LEU 64 HD21 LEU 64 83.874 2.341 1.110 498 HD22 LEU 64 HD22 LEU 64 84.916 3.238 2.211 499 HD23 LEU 64 HD23 LEU 64 84.482 3.933 0.650 500 H MET 65 H MET 65 83.340 8.584 1.569 501 HA MET 65 HA MET 65 84.520 8.774 -0.961 502 HB2 MET 65 HB2 MET 65 84.080 11.011 1.033 503 HB3 MET 65 HB1 MET 65 84.352 11.211 -0.696 504 HG2 MET 65 HG2 MET 65 82.313 9.976 -1.202 505 HG3 MET 65 HG1 MET 65 82.059 9.649 0.510 506 HE1 MET 65 HE1 MET 65 81.805 12.064 -2.402 507 HE2 MET 65 HE2 MET 65 80.402 12.964 -1.831 508 HE3 MET 65 HE3 MET 65 80.335 11.205 -1.925 509 H GLU 66 H GLU 66 85.794 10.058 2.122 510 HA GLU 66 HA GLU 66 88.294 10.862 1.140 511 HB2 GLU 66 HB2 GLU 66 87.454 9.935 3.895 512 HB3 GLU 66 HB3 GLU 66 89.036 10.630 3.538 513 HG2 GLU 66 HG2 GLU 66 86.452 12.037 2.842 514 HG3 GLU 66 HG3 GLU 66 87.266 12.265 4.390 515 H TYR 67 H TYR 67 87.052 7.743 2.058 516 HA TYR 67 HA TYR 67 89.619 6.431 2.153 517 HB2 TYR 67 HB2 TYR 67 87.656 5.610 3.429 518 HB3 TYR 67 HB3 TYR 67 86.838 5.265 1.910 519 HD1 TYR 67 HD1 TYR 67 89.797 4.391 3.984 520 HD2 TYR 67 HD2 TYR 67 87.307 3.297 0.659 521 HE1 TYR 67 HE1 TYR 67 90.909 2.176 3.881 522 HE2 TYR 67 HE2 TYR 67 88.421 1.083 0.553 523 HH TYR 67 HH TYR 67 90.724 0.149 1.273 524 H LEU 68 H LEU 68 87.178 7.111 -0.233 525 HA LEU 68 HA LEU 68 88.198 5.254 -2.190 526 HB2 LEU 68 HB2 LEU 68 86.131 7.446 -2.232 527 HB3 LEU 68 HB3 LEU 68 86.633 6.641 -3.710 528 HG LEU 68 HG LEU 68 85.402 5.326 -1.271 529 HD11 LEU 68 HD11 LEU 68 83.785 6.507 -2.650 530 HD12 LEU 68 HD12 LEU 68 83.611 4.771 -2.921 531 HD13 LEU 68 HD13 LEU 68 84.443 5.772 -4.110 532 HD21 LEU 68 HD21 LEU 68 85.337 3.402 -3.139 533 HD22 LEU 68 HD22 LEU 68 86.693 3.570 -2.028 534 HD23 LEU 68 HD23 LEU 68 86.808 4.216 -3.665 535 H GLU 69 H GLU 69 88.789 8.558 -1.286 536 HA GLU 69 HA GLU 69 90.190 9.140 -3.790 537 HB2 GLU 69 HB2 GLU 69 90.126 11.360 -3.174 538 HB3 GLU 69 HB3 GLU 69 88.723 10.765 -2.289 539 HG2 GLU 69 HG2 GLU 69 90.365 10.341 -0.343 540 HG3 GLU 69 HG3 GLU 69 91.483 11.373 -1.230 541 H ASN 70 H ASN 70 90.854 7.618 -0.937 542 HA ASN 70 HA ASN 70 93.577 7.239 -1.429 543 HB2 ASN 70 HB2 ASN 70 92.988 9.759 -0.145 544 HB3 ASN 70 HB1 ASN 70 93.911 8.737 0.948 545 HD21 ASN 70 HD21 ASN 70 96.047 7.937 0.160 546 HD22 ASN 70 HD22 ASN 70 96.856 8.783 -1.070 547 HA PRO 71 HA PRO 71 91.226 4.439 1.471 548 HB2 PRO 71 HB2 PRO 71 93.072 2.561 0.061 549 HB3 PRO 71 HB1 PRO 71 91.345 2.386 0.423 550 HG2 PRO 71 HG2 PRO 71 92.215 2.950 -2.038 551 HG3 PRO 71 HG1 PRO 71 90.698 3.610 -1.406 552 HD2 PRO 71 HD2 PRO 71 93.314 4.977 -1.832 553 HD3 PRO 71 HD1 PRO 71 91.667 5.642 -1.904 554 H LYS 72 H LYS 72 94.659 4.762 0.721 555 HA LYS 72 HA LYS 72 95.511 3.437 3.147 556 HB2 LYS 72 HB2 LYS 72 96.810 3.322 1.039 557 HB3 LYS 72 HB3 LYS 72 97.111 5.051 1.153 558 HG2 LYS 72 HG2 LYS 72 99.041 4.151 2.129 559 HG3 LYS 72 HG3 LYS 72 98.039 4.497 3.534 560 HD2 LYS 72 HD2 LYS 72 99.019 2.252 3.718 561 HD3 LYS 72 HD3 LYS 72 97.269 2.140 3.559 562 HE2 LYS 72 HE2 LYS 72 97.393 1.131 1.507 563 HE3 LYS 72 HE3 LYS 72 98.782 2.095 1.003 564 HZ1 LYS 72 HZ1 LYS 72 98.716 -0.382 2.584 565 HZ2 LYS 72 HZ2 LYS 72 100.000 0.709 2.799 566 HZ3 LYS 72 HZ3 LYS 72 99.707 0.028 1.270 567 H LYS 73 H LYS 73 95.600 6.801 1.929 568 HA LYS 73 HA LYS 73 96.874 7.915 4.146 569 HB2 LYS 73 HB2 LYS 73 96.050 8.936 1.805 570 HB3 LYS 73 HB3 LYS 73 94.758 9.547 2.837 571 HG2 LYS 73 HG2 LYS 73 96.678 10.292 4.426 572 HG3 LYS 73 HG3 LYS 73 97.719 10.072 3.021 573 HD2 LYS 73 HD2 LYS 73 97.039 12.375 3.014 574 HD3 LYS 73 HD3 LYS 73 96.131 11.574 1.733 575 HE2 LYS 73 HE2 LYS 73 94.123 11.737 2.867 576 HE3 LYS 73 HE3 LYS 73 94.888 11.662 4.454 577 HZ1 LYS 73 HZ1 LYS 73 94.934 13.857 4.545 578 HZ2 LYS 73 HZ2 LYS 73 94.051 13.920 3.095 579 HZ3 LYS 73 HZ3 LYS 73 95.750 13.965 3.063 580 H TYR 74 H TYR 74 93.484 7.095 3.653 581 HA TYR 74 HA TYR 74 92.461 8.501 5.894 582 HB2 TYR 74 HB2 TYR 74 91.281 7.252 3.839 583 HB3 TYR 74 HB3 TYR 74 91.157 5.961 5.032 584 HD1 TYR 74 HD1 TYR 74 90.735 9.698 4.907 585 HD2 TYR 74 HD2 TYR 74 89.213 5.936 6.320 586 HE1 TYR 74 HE1 TYR 74 88.824 10.869 5.969 587 HE2 TYR 74 HE2 TYR 74 87.304 7.109 7.382 588 HH TYR 74 HH TYR 74 87.025 10.660 7.252 589 H ILE 75 H ILE 75 93.167 5.023 5.488 590 HA ILE 75 HA ILE 75 93.737 4.894 8.391 591 HB ILE 75 HB ILE 75 92.364 2.739 6.765 592 HG12 ILE 75 HG12 ILE 75 91.116 4.413 8.950 593 HG13 ILE 75 HG13 ILE 75 91.058 4.924 7.265 594 HG21 ILE 75 HG21 ILE 75 93.535 1.713 8.560 595 HG22 ILE 75 HG22 ILE 75 91.893 1.922 9.167 596 HG23 ILE 75 HG23 ILE 75 93.165 3.037 9.665 597 HD11 ILE 75 HD11 ILE 75 90.071 2.249 8.289 598 HD12 ILE 75 HD12 ILE 75 89.950 2.839 6.632 599 HD13 ILE 75 HD13 ILE 75 89.039 3.629 7.918 600 HA PRO 76 HA PRO 76 97.435 3.767 5.678 601 HB2 PRO 76 HB2 PRO 76 98.531 4.490 8.379 602 HB3 PRO 76 HB1 PRO 76 99.193 4.834 6.768 603 HG2 PRO 76 HG2 PRO 76 97.911 6.705 8.165 604 HG3 PRO 76 HG1 PRO 76 97.755 6.592 6.404 605 HD2 PRO 76 HD2 PRO 76 95.762 5.921 8.503 606 HD3 PRO 76 HD1 PRO 76 95.502 6.378 6.806 607 H GLY 77 H GLY 77 98.335 1.769 5.599 608 HA2 GLY 77 HA2 GLY 77 99.319 -0.171 6.639 609 HA3 GLY 77 HA3 GLY 77 98.226 0.052 8.004 610 H THR 78 H THR 78 95.956 0.643 6.188 611 HA THR 78 HA THR 78 94.787 -1.881 6.036 612 HB THR 78 HB THR 78 93.573 0.305 5.944 613 HG1 THR 78 HG1 THR 78 93.126 -1.944 4.527 614 HG21 THR 78 HG21 THR 78 94.302 0.273 3.015 615 HG22 THR 78 HG22 THR 78 95.191 1.230 4.200 616 HG23 THR 78 HG23 THR 78 93.480 1.547 3.915 617 H LYS 79 H LYS 79 94.769 -3.491 4.554 618 HA LYS 79 HA LYS 79 96.761 -3.422 2.466 619 HB2 LYS 79 HB2 LYS 79 95.136 -5.429 3.820 620 HB3 LYS 79 HB3 LYS 79 95.197 -5.712 2.083 621 HG2 LYS 79 HG2 LYS 79 97.064 -6.875 3.060 622 HG3 LYS 79 HG3 LYS 79 97.714 -5.464 2.227 623 HD2 LYS 79 HD2 LYS 79 97.521 -4.256 4.497 624 HD3 LYS 79 HD3 LYS 79 97.309 -5.862 5.194 625 HE2 LYS 79 HE2 LYS 79 99.659 -5.022 3.471 626 HE3 LYS 79 HE3 LYS 79 99.688 -5.133 5.231 627 HZ1 LYS 79 HZ1 LYS 79 99.183 -7.350 3.321 628 HZ2 LYS 79 HZ2 LYS 79 99.048 -7.486 5.009 629 HZ3 LYS 79 HZ3 LYS 79 100.554 -7.146 4.299 630 H MET 80 H MET 80 96.102 -1.840 0.989 631 HA MET 80 HA MET 80 94.452 -2.710 -1.120 632 HB2 MET 80 HB2 MET 80 92.577 -2.276 0.376 633 HB3 MET 80 HB1 MET 80 93.176 -0.647 0.691 634 HG2 MET 80 HG2 MET 80 92.663 0.101 -1.470 635 HG3 MET 80 HG1 MET 80 92.648 -1.531 -2.138 636 HE1 MET 80 HE1 MET 80 90.375 0.220 -3.058 637 HE2 MET 80 HE2 MET 80 90.685 1.280 -1.687 638 HE3 MET 80 HE3 MET 80 89.078 0.607 -1.920 639 H ILE 81 H ILE 81 95.965 -1.985 -2.515 640 HA ILE 81 HA ILE 81 96.265 0.933 -2.763 641 HB ILE 81 HB ILE 81 98.556 -1.049 -2.876 642 HG12 ILE 81 HG12 ILE 81 99.269 0.690 -0.962 643 HG13 ILE 81 HG13 ILE 81 97.522 0.840 -0.789 644 HG21 ILE 81 HG21 ILE 81 98.327 1.917 -3.419 645 HG22 ILE 81 HG22 ILE 81 99.000 0.666 -4.463 646 HG23 ILE 81 HG23 ILE 81 99.865 1.160 -3.009 647 HD11 ILE 81 HD11 ILE 81 99.291 -1.500 -0.243 648 HD12 ILE 81 HD12 ILE 81 97.680 -1.840 -0.870 649 HD13 ILE 81 HD13 ILE 81 97.868 -0.941 0.634 650 H PHE 82 H PHE 82 94.690 0.574 -4.470 651 HA PHE 82 HA PHE 82 95.838 -0.682 -6.895 652 HB2 PHE 82 HB2 PHE 82 93.737 -1.713 -6.109 653 HB3 PHE 82 HB1 PHE 82 92.934 -0.148 -6.223 654 HD1 PHE 82 HD2 PHE 82 94.862 -2.636 -8.240 655 HD2 PHE 82 HD1 PHE 82 91.997 0.565 -8.270 656 HE1 PHE 82 HE2 PHE 82 94.442 -3.036 -10.651 657 HE2 PHE 82 HE1 PHE 82 91.577 0.165 -10.681 658 HZ PHE 82 HZ PHE 82 92.800 -1.635 -11.872 659 H ALA 83 H ALA 83 93.315 1.763 -6.291 660 HA ALA 83 HA ALA 83 94.756 3.949 -7.367 661 HB1 ALA 83 HB1 ALA 83 92.882 2.523 -9.268 662 HB2 ALA 83 HB2 ALA 83 94.609 2.803 -9.490 663 HB3 ALA 83 HB3 ALA 83 93.484 4.161 -9.517 664 H GLY 84 H GLY 84 93.856 5.512 -6.199 665 HA2 GLY 84 HA2 GLY 84 91.257 5.390 -5.076 666 HA3 GLY 84 HA3 GLY 84 92.291 6.814 -5.125 667 H ILE 85 H ILE 85 89.791 7.444 -5.393 668 HA ILE 85 HA ILE 85 88.984 7.427 -8.209 669 HB ILE 85 HB ILE 85 87.663 8.401 -5.674 670 HG12 ILE 85 HG12 ILE 85 87.847 5.875 -6.422 671 HG13 ILE 85 HG13 ILE 85 86.313 6.503 -5.830 672 HG21 ILE 85 HG21 ILE 85 85.651 8.683 -7.249 673 HG22 ILE 85 HG22 ILE 85 86.826 8.677 -8.561 674 HG23 ILE 85 HG23 ILE 85 86.898 9.926 -7.319 675 HD11 ILE 85 HD11 ILE 85 86.355 5.123 -8.054 676 HD12 ILE 85 HD12 ILE 85 86.921 6.632 -8.769 677 HD13 ILE 85 HD13 ILE 85 85.358 6.573 -7.955 678 H LYS 86 H LYS 86 88.379 9.467 -9.266 679 HA LYS 86 HA LYS 86 90.301 11.585 -8.586 680 HB2 LYS 86 HB2 LYS 86 90.217 10.561 -10.898 681 HB3 LYS 86 HB3 LYS 86 88.649 11.344 -11.101 682 HG2 LYS 86 HG2 LYS 86 89.751 13.534 -10.521 683 HG3 LYS 86 HG3 LYS 86 91.305 12.698 -10.558 684 HD2 LYS 86 HD2 LYS 86 91.040 12.140 -12.884 685 HD3 LYS 86 HD3 LYS 86 89.365 12.693 -12.883 686 HE2 LYS 86 HE2 LYS 86 91.650 14.547 -12.203 687 HE3 LYS 86 HE3 LYS 86 91.111 14.306 -13.865 688 HZ1 LYS 86 HZ1 LYS 86 90.082 16.181 -12.414 689 HZ2 LYS 86 HZ2 LYS 86 89.126 14.923 -11.791 690 HZ3 LYS 86 HZ3 LYS 86 89.094 15.273 -13.452 691 H LYS 87 H LYS 87 87.030 11.625 -10.041 692 HA LYS 87 HA LYS 87 86.515 14.215 -8.841 693 HB2 LYS 87 HB2 LYS 87 84.745 12.433 -10.528 694 HB3 LYS 87 HB3 LYS 87 84.396 14.103 -10.080 695 HG2 LYS 87 HG2 LYS 87 86.421 14.862 -11.247 696 HG3 LYS 87 HG3 LYS 87 86.819 13.194 -11.662 697 HD2 LYS 87 HD2 LYS 87 85.740 13.862 -13.609 698 HD3 LYS 87 HD3 LYS 87 84.379 13.204 -12.702 699 HE2 LYS 87 HE2 LYS 87 83.949 15.536 -11.825 700 HE3 LYS 87 HE3 LYS 87 85.171 16.118 -12.956 701 HZ1 LYS 87 HZ1 LYS 87 83.904 15.418 -14.782 702 HZ2 LYS 87 HZ2 LYS 87 82.793 16.176 -13.743 703 HZ3 LYS 87 HZ3 LYS 87 82.863 14.481 -13.823 704 H LYS 88 H LYS 88 84.493 14.654 -7.676 705 HA LYS 88 HA LYS 88 84.208 12.904 -5.431 706 HB2 LYS 88 HB2 LYS 88 83.924 15.431 -5.415 707 HB3 LYS 88 HB3 LYS 88 82.357 15.171 -6.182 708 HG2 LYS 88 HG2 LYS 88 81.744 13.645 -4.284 709 HG3 LYS 88 HG3 LYS 88 83.259 14.086 -3.497 710 HD2 LYS 88 HD2 LYS 88 81.850 15.643 -2.520 711 HD3 LYS 88 HD3 LYS 88 82.368 16.560 -3.935 712 HE2 LYS 88 HE2 LYS 88 80.319 15.503 -5.118 713 HE3 LYS 88 HE3 LYS 88 79.766 15.097 -3.494 714 HZ1 LYS 88 HZ1 LYS 88 79.797 17.379 -2.882 715 HZ2 LYS 88 HZ2 LYS 88 78.945 17.262 -4.347 716 HZ3 LYS 88 HZ3 LYS 88 80.545 17.833 -4.334 717 H THR 89 H THR 89 81.998 13.853 -8.078 718 HA THR 89 HA THR 89 79.825 12.272 -7.393 719 HB THR 89 HB THR 89 79.292 12.236 -9.825 720 HG1 THR 89 HG1 THR 89 81.421 13.893 -10.382 721 HG21 THR 89 HG21 THR 89 80.292 14.926 -8.855 722 HG22 THR 89 HG22 THR 89 78.782 14.186 -8.325 723 HG23 THR 89 HG23 THR 89 78.998 14.633 -10.017 724 H GLU 90 H GLU 90 82.908 11.352 -8.721 725 HA GLU 90 HA GLU 90 82.143 8.773 -9.670 726 HB2 GLU 90 HB2 GLU 90 84.778 10.009 -8.883 727 HB3 GLU 90 HB3 GLU 90 84.662 8.311 -9.337 728 HG2 GLU 90 HG2 GLU 90 83.912 8.837 -11.525 729 HG3 GLU 90 HG3 GLU 90 83.542 10.504 -11.083 730 H ARG 91 H ARG 91 83.227 10.090 -6.600 731 HA ARG 91 HA ARG 91 83.383 7.528 -5.275 732 HB2 ARG 91 HB2 ARG 91 83.199 10.291 -4.045 733 HB3 ARG 91 HB3 ARG 91 83.753 8.816 -3.254 734 HG2 ARG 91 HG2 ARG 91 85.604 8.664 -4.909 735 HG3 ARG 91 HG3 ARG 91 85.081 10.199 -5.599 736 HD2 ARG 91 HD2 ARG 91 85.249 10.777 -2.897 737 HD3 ARG 91 HD3 ARG 91 86.609 9.684 -3.143 738 HE ARG 91 HE ARG 91 86.892 11.401 -5.206 739 HH11 ARG 91 HH21 ARG 91 86.322 11.845 -1.815 740 HH12 ARG 91 HH22 ARG 91 87.119 13.379 -1.747 741 HH21 ARG 91 HH11 ARG 91 87.937 13.410 -5.115 742 HH22 ARG 91 HH12 ARG 91 88.033 14.265 -3.611 743 H GLU 92 H GLU 92 81.127 10.292 -5.217 744 HA GLU 92 HA GLU 92 79.277 9.219 -3.403 745 HB2 GLU 92 HB2 GLU 92 79.286 11.582 -4.231 746 HB3 GLU 92 HB3 GLU 92 78.653 11.002 -5.771 747 HG2 GLU 92 HG2 GLU 92 76.679 10.086 -4.644 748 HG3 GLU 92 HG3 GLU 92 77.317 10.593 -3.081 749 H ASP 93 H ASP 93 79.240 9.142 -6.975 750 HA ASP 93 HA ASP 93 76.972 7.506 -7.254 751 HB2 ASP 93 HB2 ASP 93 79.408 7.742 -9.040 752 HB3 ASP 93 HB1 ASP 93 77.882 6.991 -9.504 753 H LEU 94 H LEU 94 80.431 6.634 -7.255 754 HA LEU 94 HA LEU 94 80.163 3.863 -7.470 755 HB2 LEU 94 HB2 LEU 94 82.340 4.939 -7.656 756 HB3 LEU 94 HB3 LEU 94 82.233 5.497 -5.988 757 HG LEU 94 HG LEU 94 82.298 3.227 -5.154 758 HD11 LEU 94 HD11 LEU 94 81.121 1.925 -6.702 759 HD12 LEU 94 HD12 LEU 94 82.785 1.416 -6.975 760 HD13 LEU 94 HD13 LEU 94 82.023 2.566 -8.074 761 HD21 LEU 94 HD21 LEU 94 84.427 4.509 -6.075 762 HD22 LEU 94 HD22 LEU 94 84.446 3.190 -7.245 763 HD23 LEU 94 HD23 LEU 94 84.554 2.842 -5.522 764 H ILE 95 H ILE 95 79.994 5.982 -4.675 765 HA ILE 95 HA ILE 95 79.853 3.853 -2.772 766 HB ILE 95 HB ILE 95 79.380 6.825 -2.602 767 HG12 ILE 95 HG12 ILE 95 81.428 5.121 -1.177 768 HG13 ILE 95 HG13 ILE 95 81.689 5.669 -2.827 769 HG21 ILE 95 HG21 ILE 95 77.924 6.119 -0.917 770 HG22 ILE 95 HG22 ILE 95 79.447 6.197 -0.032 771 HG23 ILE 95 HG23 ILE 95 78.838 4.644 -0.605 772 HD11 ILE 95 HD11 ILE 95 80.899 7.641 -0.706 773 HD12 ILE 95 HD12 ILE 95 81.771 7.922 -2.212 774 HD13 ILE 95 HD13 ILE 95 82.579 7.136 -0.860 775 H ALA 96 H ALA 96 77.584 5.708 -4.650 776 HA ALA 96 HA ALA 96 75.245 5.104 -3.156 777 HB1 ALA 96 HB1 ALA 96 75.332 5.565 -6.135 778 HB2 ALA 96 HB2 ALA 96 75.542 6.880 -4.979 779 HB3 ALA 96 HB3 ALA 96 74.038 5.959 -5.003 780 H TYR 97 H TYR 97 77.055 3.462 -5.673 781 HA TYR 97 HA TYR 97 75.083 1.409 -6.104 782 HB2 TYR 97 HB2 TYR 97 76.612 1.857 -7.907 783 HB3 TYR 97 HB3 TYR 97 78.007 1.629 -6.854 784 HD1 TYR 97 HD1 TYR 97 75.096 -0.121 -8.385 785 HD2 TYR 97 HD2 TYR 97 78.898 -0.541 -6.434 786 HE1 TYR 97 HE1 TYR 97 75.090 -2.545 -8.897 787 HE2 TYR 97 HE2 TYR 97 78.891 -2.966 -6.945 788 HH TYR 97 HH TYR 97 77.879 -4.515 -8.492 789 H LEU 98 H LEU 98 77.924 1.886 -4.100 790 HA LEU 98 HA LEU 98 78.290 -0.744 -3.171 791 HB2 LEU 98 HB2 LEU 98 78.857 1.965 -1.985 792 HB3 LEU 98 HB3 LEU 98 79.216 0.490 -1.094 793 HG LEU 98 HG LEU 98 80.211 0.947 -3.915 794 HD11 LEU 98 HD11 LEU 98 81.043 2.285 -1.488 795 HD12 LEU 98 HD12 LEU 98 81.636 2.499 -3.133 796 HD13 LEU 98 HD13 LEU 98 82.347 1.268 -2.096 797 HD21 LEU 98 HD21 LEU 98 81.007 -1.144 -3.655 798 HD22 LEU 98 HD22 LEU 98 80.325 -1.232 -2.033 799 HD23 LEU 98 HD23 LEU 98 81.957 -0.609 -2.272 800 H LYS 99 H LYS 99 76.274 1.926 -2.000 801 HA LYS 99 HA LYS 99 75.287 0.673 0.322 802 HB2 LYS 99 HB2 LYS 99 74.092 2.837 -1.418 803 HB3 LYS 99 HB3 LYS 99 73.449 2.360 0.154 804 HG2 LYS 99 HG2 LYS 99 75.463 3.023 1.277 805 HG3 LYS 99 HG3 LYS 99 76.320 3.225 -0.250 806 HD2 LYS 99 HD2 LYS 99 75.675 5.420 0.572 807 HD3 LYS 99 HD3 LYS 99 74.713 5.045 -0.857 808 HE2 LYS 99 HE2 LYS 99 72.780 4.578 0.420 809 HE3 LYS 99 HE3 LYS 99 73.702 4.407 1.914 810 HZ1 LYS 99 HZ1 LYS 99 74.102 6.714 1.988 811 HZ2 LYS 99 HZ2 LYS 99 72.448 6.544 1.646 812 HZ3 LYS 99 HZ3 LYS 99 73.537 6.953 0.407 813 H LYS 100 H LYS 100 73.805 0.990 -2.912 814 HA LYS 100 HA LYS 100 71.568 -0.670 -2.241 815 HB2 LYS 100 HB2 LYS 100 72.648 0.392 -4.851 816 HB3 LYS 100 HB3 LYS 100 71.218 -0.638 -4.764 817 HG2 LYS 100 HG2 LYS 100 70.128 0.967 -3.258 818 HG3 LYS 100 HG3 LYS 100 71.565 1.990 -3.289 819 HD2 LYS 100 HD2 LYS 100 71.297 2.402 -5.662 820 HD3 LYS 100 HD3 LYS 100 69.976 1.237 -5.757 821 HE2 LYS 100 HE2 LYS 100 69.939 3.781 -4.106 822 HE3 LYS 100 HE3 LYS 100 69.132 3.567 -5.659 823 HZ1 LYS 100 HZ1 LYS 100 67.495 3.129 -4.084 824 HZ2 LYS 100 HZ2 LYS 100 68.545 2.244 -3.084 825 HZ3 LYS 100 HZ3 LYS 100 68.014 1.585 -4.557 826 H ALA 101 H ALA 101 74.786 -1.279 -3.329 827 HA ALA 101 HA ALA 101 74.172 -3.923 -4.383 828 HB1 ALA 101 HB1 ALA 101 76.812 -2.519 -3.910 829 HB2 ALA 101 HB2 ALA 101 75.945 -2.623 -5.443 830 HB3 ALA 101 HB3 ALA 101 76.621 -4.079 -4.711 831 H THR 102 H THR 102 75.337 -2.458 -1.440 832 HA THR 102 HA THR 102 76.133 -5.022 -0.292 833 HB THR 102 HB THR 102 76.657 -3.604 1.718 834 HG1 THR 102 HG1 THR 102 75.348 -1.795 0.120 835 HG21 THR 102 HG21 THR 102 77.823 -2.964 -0.991 836 HG22 THR 102 HG22 THR 102 78.453 -4.062 0.234 837 HG23 THR 102 HG23 THR 102 78.507 -2.318 0.500 838 H ASN 103 H ASN 103 73.316 -3.410 -0.797 839 HA ASN 103 HA ASN 103 72.046 -4.157 1.741 840 HB2 ASN 103 HB2 ASN 103 71.263 -2.460 -0.612 841 HB3 ASN 103 HB1 ASN 103 70.041 -3.041 0.512 842 HD21 ASN 103 HD21 ASN 103 73.294 -2.349 1.657 843 HD22 ASN 103 HD22 ASN 103 72.883 -0.951 2.525 844 H GLU 104 H GLU 104 72.338 -5.142 -1.565 845 HA GLU 104 HA GLU 104 70.700 -7.510 -1.008 846 HB2 GLU 104 HB2 GLU 104 69.592 -7.224 -3.277 847 HB3 GLU 104 HB3 GLU 104 69.049 -6.115 -2.018 848 HG2 GLU 104 HG2 GLU 104 70.319 -4.315 -2.903 849 HG3 GLU 104 HG3 GLU 104 71.279 -5.388 -3.921 850 HHA HEC 201 HA HEC 105 89.465 -3.468 3.126 851 HHB HEC 201 HB HEC 105 85.596 -0.017 -0.495 852 HHC HEC 201 HC HEC 105 88.913 -1.719 -5.612 853 HHD HEC 201 HD HEC 105 92.267 -5.745 -2.068 854 HMA1 HEC 201 HMA1 HEC 105 85.825 0.867 2.240 855 HMA2 HEC 201 HMA2 HEC 105 85.217 -0.465 3.222 856 HMA3 HEC 201 HMA3 HEC 105 84.673 -0.281 1.558 857 HAA1 HEC 201 HAA1 HEC 105 87.105 -0.857 4.414 858 HAA2 HEC 201 HAA2 HEC 105 88.517 -1.893 4.369 859 HBA1 HEC 201 HBA1 HEC 105 87.293 -3.817 4.687 860 HBA2 HEC 201 HBA2 HEC 105 85.851 -3.161 3.918 861 HMB1 HEC 201 HMB1 HEC 105 85.064 1.377 -2.220 862 HMB2 HEC 201 HMB2 HEC 105 84.155 0.067 -2.971 863 HMB3 HEC 201 HMB3 HEC 105 84.947 1.277 -3.973 864 HAB HEC 201 HAB HEC 105 87.411 -0.522 -6.264 865 HBB1 HEC 201 HBB1 HEC 105 86.391 1.908 -6.539 866 HBB2 HEC 201 HBB2 HEC 105 86.789 2.029 -4.827 867 HBB3 HEC 201 HBB3 HEC 105 88.055 1.686 -5.999 868 HMC1 HEC 201 HMC1 HEC 105 91.323 -4.270 -6.986 869 HMC2 HEC 201 HMC2 HEC 105 91.413 -2.530 -6.723 870 HMC3 HEC 201 HMC3 HEC 105 89.850 -3.306 -6.965 871 HAC HEC 201 HAC HEC 105 92.694 -6.172 -4.001 872 HBC1 HEC 201 HBC1 HEC 105 94.415 -5.481 -5.293 873 HBC2 HEC 201 HBC2 HEC 105 93.539 -3.972 -5.550 874 HBC3 HEC 201 HBC3 HEC 105 93.359 -5.302 -6.693 875 HMD1 HEC 201 HMD1 HEC 105 93.754 -6.079 0.284 876 HMD2 HEC 201 HMD2 HEC 105 92.555 -7.231 -0.296 877 HMD3 HEC 201 HMD3 HEC 105 92.841 -7.056 1.431 878 HAD1 HEC 201 HAD1 HEC 105 92.001 -6.268 3.108 879 HAD2 HEC 201 HAD2 HEC 105 90.507 -5.506 3.608 880 HBD1 HEC 201 HBD1 HEC 105 91.702 -3.340 3.804 881 HBD2 HEC 201 HBD2 HEC 105 93.203 -4.156 3.375 882 H1 HOH 301 H2 HOH 200 82.715 3.504 -1.706 883 H2 HOH 301 H1 HOH 200 83.908 2.823 -1.068 884 H1 HOH 302 H2 HOH 201 86.534 4.671 6.221 885 H2 HOH 302 H1 HOH 201 85.976 5.549 5.122 886 H1 HOH 303 H2 HOH 202 83.118 -5.079 6.466 887 H2 HOH 303 H1 HOH 202 83.348 -4.841 4.990 888 H1 HOH 304 H2 HOH 203 81.085 -10.543 -0.010 889 H2 HOH 304 H1 HOH 203 82.489 -10.886 0.428 Start of MODEL 22 1 H1 GLY 1 H1 GLY 1 73.851 11.891 -6.958 2 H2 GLY 1 H2 GLY 1 73.249 11.148 -5.554 3 H3 GLY 1 H3 GLY 1 72.422 10.981 -7.030 4 HA2 GLY 1 HA2 GLY 1 75.171 10.114 -7.130 5 HA3 GLY 1 HA3 GLY 1 74.154 9.179 -6.032 6 H ASP 2 H ASP 2 75.277 8.203 -8.476 7 HA ASP 2 HA ASP 2 72.792 7.604 -9.967 8 HB2 ASP 2 HB2 ASP 2 75.533 8.135 -11.131 9 HB3 ASP 2 HB1 ASP 2 74.152 7.524 -12.040 10 H VAL 3 H VAL 3 72.616 5.673 -8.755 11 HA VAL 3 HA VAL 3 74.521 3.748 -8.277 12 HB VAL 3 HB VAL 3 72.256 3.552 -7.418 13 HG11 VAL 3 HG11 VAL 3 71.480 3.074 -10.311 14 HG12 VAL 3 HG12 VAL 3 71.074 4.501 -9.357 15 HG13 VAL 3 HG13 VAL 3 70.396 2.930 -8.928 16 HG21 VAL 3 HG21 VAL 3 72.730 1.251 -9.330 17 HG22 VAL 3 HG22 VAL 3 71.936 1.194 -7.757 18 HG23 VAL 3 HG23 VAL 3 73.671 1.485 -7.858 19 H GLU 4 H GLU 4 73.306 4.802 -11.304 20 HA GLU 4 HA GLU 4 73.800 2.387 -12.778 21 HB2 GLU 4 HB2 GLU 4 73.414 5.262 -13.626 22 HB3 GLU 4 HB3 GLU 4 73.639 3.935 -14.768 23 HG2 GLU 4 HG2 GLU 4 71.484 3.952 -12.641 24 HG3 GLU 4 HG3 GLU 4 71.221 4.515 -14.289 25 H LYS 5 H LYS 5 75.494 5.538 -12.745 26 HA LYS 5 HA LYS 5 77.788 4.454 -14.093 27 HB2 LYS 5 HB2 LYS 5 77.217 7.081 -12.719 28 HB3 LYS 5 HB3 LYS 5 78.812 6.699 -13.369 29 HG2 LYS 5 HG2 LYS 5 77.987 6.518 -15.588 30 HG3 LYS 5 HG3 LYS 5 76.311 6.438 -15.046 31 HD2 LYS 5 HD2 LYS 5 77.933 8.874 -14.368 32 HD3 LYS 5 HD3 LYS 5 77.302 8.702 -16.006 33 HE2 LYS 5 HE2 LYS 5 75.020 8.355 -15.053 34 HE3 LYS 5 HE3 LYS 5 75.678 8.651 -13.444 35 HZ1 LYS 5 HZ1 LYS 5 75.832 10.840 -13.817 36 HZ2 LYS 5 HZ2 LYS 5 74.690 10.554 -15.041 37 HZ3 LYS 5 HZ3 LYS 5 76.342 10.651 -15.423 38 H GLY 6 H GLY 6 76.688 4.555 -10.865 39 HA2 GLY 6 HA2 GLY 6 79.241 4.428 -9.556 40 HA3 GLY 6 HA3 GLY 6 77.680 4.007 -8.845 41 H LYS 7 H LYS 7 76.916 2.163 -10.877 42 HA LYS 7 HA LYS 7 78.134 -0.216 -9.884 43 HB2 LYS 7 HB2 LYS 7 75.764 -0.023 -10.718 44 HB3 LYS 7 HB3 LYS 7 76.412 0.091 -12.353 45 HG2 LYS 7 HG2 LYS 7 77.661 -2.103 -11.818 46 HG3 LYS 7 HG3 LYS 7 76.578 -2.235 -10.437 47 HD2 LYS 7 HD2 LYS 7 75.343 -3.390 -12.025 48 HD3 LYS 7 HD3 LYS 7 74.713 -1.762 -12.271 49 HE2 LYS 7 HE2 LYS 7 76.619 -1.503 -14.008 50 HE3 LYS 7 HE3 LYS 7 76.739 -3.261 -13.931 51 HZ1 LYS 7 HZ1 LYS 7 75.250 -2.626 -15.687 52 HZ2 LYS 7 HZ2 LYS 7 74.317 -1.687 -14.620 53 HZ3 LYS 7 HZ3 LYS 7 74.360 -3.377 -14.454 54 H LYS 8 H LYS 8 78.393 1.660 -12.886 55 HA LYS 8 HA LYS 8 80.015 -0.113 -14.334 56 HB2 LYS 8 HB2 LYS 8 78.965 1.824 -15.375 57 HB3 LYS 8 HB3 LYS 8 79.943 2.912 -14.393 58 HG2 LYS 8 HG2 LYS 8 81.495 0.896 -15.910 59 HG3 LYS 8 HG3 LYS 8 80.637 2.063 -16.912 60 HD2 LYS 8 HD2 LYS 8 82.251 3.016 -14.554 61 HD3 LYS 8 HD3 LYS 8 83.053 2.636 -16.077 62 HE2 LYS 8 HE2 LYS 8 80.631 4.427 -16.036 63 HE3 LYS 8 HE3 LYS 8 82.233 5.077 -15.690 64 HZ1 LYS 8 HZ1 LYS 8 82.939 3.947 -17.822 65 HZ2 LYS 8 HZ2 LYS 8 81.949 5.317 -17.983 66 HZ3 LYS 8 HZ3 LYS 8 81.288 3.763 -18.165 67 H ILE 9 H ILE 9 80.966 2.646 -12.287 68 HA ILE 9 HA ILE 9 83.747 2.261 -12.534 69 HB ILE 9 HB ILE 9 82.188 3.511 -10.261 70 HG12 ILE 9 HG12 ILE 9 83.569 4.914 -12.556 71 HG13 ILE 9 HG13 ILE 9 81.884 4.404 -12.666 72 HG21 ILE 9 HG21 ILE 9 84.350 4.752 -9.916 73 HG22 ILE 9 HG22 ILE 9 85.101 3.670 -11.088 74 HG23 ILE 9 HG23 ILE 9 84.464 3.026 -9.575 75 HD11 ILE 9 HD11 ILE 9 82.175 6.777 -11.875 76 HD12 ILE 9 HD12 ILE 9 82.975 6.142 -10.437 77 HD13 ILE 9 HD13 ILE 9 81.283 5.753 -10.748 78 H PHE 10 H PHE 10 81.345 0.710 -10.550 79 HA PHE 10 HA PHE 10 83.193 -0.344 -8.619 80 HB2 PHE 10 HB2 PHE 10 81.057 -0.215 -7.742 81 HB3 PHE 10 HB1 PHE 10 80.295 -0.733 -9.244 82 HD1 PHE 10 HD1 PHE 10 80.230 -3.105 -9.878 83 HD2 PHE 10 HD2 PHE 10 81.949 -1.833 -6.157 84 HE1 PHE 10 HE1 PHE 10 80.193 -5.445 -9.068 85 HE2 PHE 10 HE2 PHE 10 81.913 -4.177 -5.342 86 HZ PHE 10 HZ PHE 10 81.036 -5.983 -6.802 87 H VAL 11 H VAL 11 81.387 -1.852 -11.315 88 HA VAL 11 HA VAL 11 82.386 -4.428 -11.050 89 HB VAL 11 HB VAL 11 81.884 -4.704 -13.469 90 HG11 VAL 11 HG11 VAL 11 79.736 -3.072 -12.119 91 HG12 VAL 11 HG12 VAL 11 80.147 -4.700 -11.582 92 HG13 VAL 11 HG13 VAL 11 79.540 -4.436 -13.216 93 HG21 VAL 11 HG21 VAL 11 81.170 -1.766 -13.344 94 HG22 VAL 11 HG22 VAL 11 81.069 -2.821 -14.750 95 HG23 VAL 11 HG23 VAL 11 82.642 -2.377 -14.092 96 H GLN 12 H GLN 12 83.871 -1.597 -12.438 97 HA GLN 12 HA GLN 12 86.068 -3.206 -13.522 98 HB2 GLN 12 HB2 GLN 12 86.820 -1.164 -14.575 99 HB3 GLN 12 HB1 GLN 12 85.101 -1.398 -14.884 100 HG2 GLN 12 HG2 GLN 12 84.602 0.132 -12.964 101 HG3 GLN 12 HG1 GLN 12 86.331 0.440 -12.816 102 HE21 GLN 12 HE21 GLN 12 85.865 -0.053 -16.053 103 HE22 GLN 12 HE22 GLN 12 85.601 1.545 -16.548 104 H LYS 13 H LYS 13 85.436 -1.100 -10.779 105 HA LYS 13 HA LYS 13 88.325 -0.997 -10.202 106 HB2 LYS 13 HB2 LYS 13 85.984 0.573 -9.158 107 HB3 LYS 13 HB3 LYS 13 87.549 0.602 -8.358 108 HG2 LYS 13 HG2 LYS 13 87.819 0.967 -11.247 109 HG3 LYS 13 HG3 LYS 13 86.785 2.198 -10.527 110 HD2 LYS 13 HD2 LYS 13 89.509 1.453 -9.432 111 HD3 LYS 13 HD3 LYS 13 89.241 2.784 -10.557 112 HE2 LYS 13 HE2 LYS 13 87.360 2.919 -8.344 113 HE3 LYS 13 HE3 LYS 13 89.022 2.893 -7.757 114 HZ1 LYS 13 HZ1 LYS 13 88.643 5.118 -8.167 115 HZ2 LYS 13 HZ2 LYS 13 87.726 4.824 -9.567 116 HZ3 LYS 13 HZ3 LYS 13 89.413 4.622 -9.595 117 H CYS 14 H CYS 14 85.407 -1.421 -8.148 118 HA CYS 14 HA CYS 14 87.023 -2.760 -6.168 119 HB2 CYS 14 HB2 CYS 14 84.054 -2.629 -5.984 120 HB3 CYS 14 HB1 CYS 14 85.261 -2.464 -4.715 121 H ALA 15 H ALA 15 84.512 -3.859 -8.432 122 HA ALA 15 HA ALA 15 83.957 -6.338 -7.383 123 HB1 ALA 15 HB1 ALA 15 84.249 -5.407 -10.222 124 HB2 ALA 15 HB2 ALA 15 82.779 -5.800 -9.327 125 HB3 ALA 15 HB3 ALA 15 83.857 -7.088 -9.864 126 H GLN 16 H GLN 16 86.929 -5.248 -8.823 127 HA GLN 16 HA GLN 16 88.183 -7.552 -9.620 128 HB2 GLN 16 HB2 GLN 16 89.250 -5.118 -8.210 129 HB3 GLN 16 HB1 GLN 16 90.312 -6.426 -8.728 130 HG2 GLN 16 HG2 GLN 16 89.593 -6.167 -11.033 131 HG3 GLN 16 HG1 GLN 16 88.388 -4.971 -10.561 132 HE21 GLN 16 HE21 GLN 16 91.853 -5.324 -9.615 133 HE22 GLN 16 HE22 GLN 16 92.294 -3.762 -10.113 134 H CYS 17 H CYS 17 88.678 -6.210 -6.323 135 HA CYS 17 HA CYS 17 89.042 -8.999 -5.386 136 HB2 CYS 17 HB2 CYS 17 90.179 -6.829 -3.730 137 HB3 CYS 17 HB1 CYS 17 90.869 -8.384 -4.184 138 H HIS 18 H HSD 18 86.433 -8.048 -5.434 139 HA HIS 18 HA HSD 18 85.826 -8.121 -2.589 140 HB2 HIS 18 HB2 HSD 18 85.190 -5.728 -4.300 141 HB3 HIS 18 HB1 HSD 18 84.218 -6.130 -2.888 142 HD1 HIS 18 HD1 HSD 18 86.726 -7.210 -1.186 143 HD2 HIS 18 HD2 HSD 18 86.438 -3.508 -3.078 144 HE1 HIS 18 HE1 HSD 18 88.345 -5.666 0.006 145 H THR 19 H THR 19 83.257 -7.767 -2.425 146 HA THR 19 HA THR 19 81.942 -9.262 -4.601 147 HB THR 19 HB THR 19 80.830 -10.174 -2.156 148 HG1 THR 19 HG1 THR 19 83.239 -11.127 -1.787 149 HG21 THR 19 HG21 THR 19 81.575 -12.336 -2.934 150 HG22 THR 19 HG22 THR 19 82.805 -11.597 -3.958 151 HG23 THR 19 HG23 THR 19 81.096 -11.393 -4.343 152 H VAL 20 H VAL 20 81.617 -7.352 -1.647 153 HA VAL 20 HA VAL 20 79.928 -6.026 -0.848 154 HB VAL 20 HB VAL 20 79.249 -4.276 -2.356 155 HG11 VAL 20 HG11 VAL 20 82.049 -5.204 -3.052 156 HG12 VAL 20 HG12 VAL 20 81.615 -4.345 -1.576 157 HG13 VAL 20 HG13 VAL 20 81.442 -3.553 -3.141 158 HG21 VAL 20 HG21 VAL 20 78.736 -5.930 -4.257 159 HG22 VAL 20 HG22 VAL 20 80.456 -5.850 -4.630 160 HG23 VAL 20 HG23 VAL 20 79.468 -4.396 -4.716 161 H GLU 21 H GLU 21 79.127 -8.756 -1.953 162 HA GLU 21 HA GLU 21 76.262 -8.146 -2.402 163 HB2 GLU 21 HB2 GLU 21 76.222 -10.563 -3.277 164 HB3 GLU 21 HB3 GLU 21 76.986 -9.344 -4.295 165 HG2 GLU 21 HG2 GLU 21 79.154 -10.081 -3.770 166 HG3 GLU 21 HG3 GLU 21 78.622 -10.914 -2.314 167 H LYS 22 H LYS 22 75.160 -8.326 -0.568 168 HA LYS 22 HA LYS 22 75.991 -9.665 1.741 169 HB2 LYS 22 HB2 LYS 22 74.225 -7.924 1.672 170 HB3 LYS 22 HB3 LYS 22 73.149 -9.075 0.884 171 HG2 LYS 22 HG2 LYS 22 74.416 -10.067 3.377 172 HG3 LYS 22 HG3 LYS 22 73.298 -8.724 3.602 173 HD2 LYS 22 HD2 LYS 22 72.490 -11.061 1.883 174 HD3 LYS 22 HD3 LYS 22 72.375 -11.180 3.638 175 HE2 LYS 22 HE2 LYS 22 70.953 -9.190 3.714 176 HE3 LYS 22 HE3 LYS 22 71.114 -8.983 1.969 177 HZ1 LYS 22 HZ1 LYS 22 69.045 -10.135 2.717 178 HZ2 LYS 22 HZ2 LYS 22 70.013 -11.436 3.221 179 HZ3 LYS 22 HZ3 LYS 22 69.963 -10.995 1.580 180 H GLY 23 H GLY 23 76.318 -11.764 2.015 181 HA2 GLY 23 HA2 GLY 23 75.560 -13.985 2.269 182 HA3 GLY 23 HA3 GLY 23 74.298 -13.676 1.083 183 H GLY 24 H GLY 24 77.385 -12.514 0.196 184 HA2 GLY 24 HA2 GLY 24 77.598 -14.609 -1.849 185 HA3 GLY 24 HA3 GLY 24 78.468 -13.081 -1.828 186 H LYS 25 H LYS 25 80.548 -13.771 -1.977 187 HA LYS 25 HA LYS 25 81.640 -15.156 0.360 188 HB2 LYS 25 HB2 LYS 25 83.017 -16.614 -1.234 189 HB3 LYS 25 HB3 LYS 25 81.325 -17.053 -1.016 190 HG2 LYS 25 HG2 LYS 25 81.871 -15.112 -3.203 191 HG3 LYS 25 HG3 LYS 25 82.483 -16.745 -3.460 192 HD2 LYS 25 HD2 LYS 25 80.248 -17.671 -3.032 193 HD3 LYS 25 HD3 LYS 25 79.623 -16.050 -2.729 194 HE2 LYS 25 HE2 LYS 25 80.085 -15.375 -5.007 195 HE3 LYS 25 HE3 LYS 25 80.917 -16.896 -5.334 196 HZ1 LYS 25 HZ1 LYS 25 78.062 -16.695 -4.551 197 HZ2 LYS 25 HZ2 LYS 25 78.887 -18.090 -5.059 198 HZ3 LYS 25 HZ3 LYS 25 78.600 -16.823 -6.155 199 H HIS 26 H HIS 26 83.266 -13.948 1.049 200 HA HIS 26 HA HIS 26 84.411 -11.796 -0.293 201 HB2 HIS 26 HB2 HIS 26 86.390 -12.363 1.405 202 HB3 HIS 26 HB1 HIS 26 84.849 -11.714 1.969 203 HD1 HIS 26 HD1 HIS 26 85.922 -15.261 1.019 204 HD2 HIS 26 HD2 HIS 26 84.141 -13.202 4.177 205 HE1 HIS 26 HE1 HIS 26 85.326 -16.999 2.762 206 HE2 HIS 26 HE2 HIS 26 84.240 -15.760 4.694 207 H LYS 27 H LYS 27 85.848 -11.626 -1.891 208 HA LYS 27 HA LYS 27 87.552 -13.967 -2.532 209 HB2 LYS 27 HB2 LYS 27 85.683 -13.476 -4.182 210 HB3 LYS 27 HB3 LYS 27 86.513 -11.960 -4.537 211 HG2 LYS 27 HG2 LYS 27 88.613 -13.458 -4.905 212 HG3 LYS 27 HG3 LYS 27 87.454 -14.782 -5.030 213 HD2 LYS 27 HD2 LYS 27 87.557 -12.283 -6.742 214 HD3 LYS 27 HD3 LYS 27 87.868 -13.939 -7.261 215 HE2 LYS 27 HE2 LYS 27 85.654 -13.650 -7.943 216 HE3 LYS 27 HE3 LYS 27 85.433 -14.376 -6.351 217 HZ1 LYS 27 HZ1 LYS 27 85.711 -11.512 -6.299 218 HZ2 LYS 27 HZ2 LYS 27 84.560 -12.506 -5.543 219 HZ3 LYS 27 HZ3 LYS 27 84.349 -12.040 -7.162 220 H THR 28 H THR 28 89.671 -13.585 -2.456 221 HA THR 28 HA THR 28 91.612 -12.399 -2.006 222 HB THR 28 HB THR 28 90.642 -10.773 -4.364 223 HG1 THR 28 HG1 THR 28 91.283 -13.426 -4.105 224 HG21 THR 28 HG21 THR 28 93.234 -11.116 -4.819 225 HG22 THR 28 HG22 THR 28 93.290 -11.328 -3.071 226 HG23 THR 28 HG23 THR 28 92.672 -9.826 -3.757 227 H GLY 29 H GLY 29 89.160 -11.415 -0.669 228 HA2 GLY 29 HA2 GLY 29 90.131 -9.248 0.721 229 HA3 GLY 29 HA3 GLY 29 89.226 -8.553 -0.621 230 HA PRO 30 HA PRO 30 86.438 -10.113 2.957 231 HB2 PRO 30 HB2 PRO 30 86.018 -7.757 4.297 232 HB3 PRO 30 HB1 PRO 30 87.303 -8.904 4.718 233 HG2 PRO 30 HG2 PRO 30 87.463 -6.378 3.144 234 HG3 PRO 30 HG1 PRO 30 88.588 -7.031 4.349 235 HD2 PRO 30 HD2 PRO 30 89.036 -7.225 1.659 236 HD3 PRO 30 HD1 PRO 30 89.623 -8.434 2.823 237 H ASN 31 H ASN 31 84.194 -9.089 3.508 238 HA ASN 31 HA ASN 31 83.054 -8.081 0.984 239 HB2 ASN 31 HB2 ASN 31 80.975 -8.959 1.725 240 HB3 ASN 31 HB1 ASN 31 82.174 -10.178 2.158 241 HD21 ASN 31 HD21 ASN 31 82.317 -10.755 4.352 242 HD22 ASN 31 HD22 ASN 31 81.509 -9.940 5.603 243 H LEU 32 H LEU 32 81.360 -6.415 1.136 244 HA LEU 32 HA LEU 32 81.896 -4.512 3.345 245 HB2 LEU 32 HB2 LEU 32 80.883 -3.810 0.583 246 HB3 LEU 32 HB3 LEU 32 81.425 -2.702 1.838 247 HG LEU 32 HG LEU 32 83.099 -4.624 0.206 248 HD11 LEU 32 HD11 LEU 32 82.988 -1.624 0.593 249 HD12 LEU 32 HD12 LEU 32 82.810 -2.536 -0.906 250 HD13 LEU 32 HD13 LEU 32 84.386 -2.424 -0.125 251 HD21 LEU 32 HD21 LEU 32 83.686 -3.285 2.836 252 HD22 LEU 32 HD22 LEU 32 84.984 -3.515 1.671 253 HD23 LEU 32 HD23 LEU 32 84.110 -4.906 2.300 254 H HIS 33 H HIS 33 80.003 -6.591 3.612 255 HA HIS 33 HA HIS 33 77.360 -5.769 2.964 256 HB2 HIS 33 HB2 HIS 33 78.280 -7.570 5.219 257 HB3 HIS 33 HB1 HIS 33 76.650 -7.478 4.555 258 HD1 HIS 33 HD1 HIS 33 78.440 -10.089 4.470 259 HD2 HIS 33 HD2 HIS 33 77.976 -7.388 1.327 260 HE1 HIS 33 HE1 HIS 33 78.975 -11.362 2.346 261 HE2 HIS 33 HE2 HIS 33 78.688 -9.733 0.421 262 H GLY 34 H GLY 34 75.826 -4.655 4.163 263 HA2 GLY 34 HA2 GLY 34 75.257 -2.791 5.459 264 HA3 GLY 34 HA3 GLY 34 75.643 -3.935 6.745 265 H LEU 35 H LEU 35 77.980 -2.717 4.464 266 HA LEU 35 HA LEU 35 79.980 -2.101 6.234 267 HB2 LEU 35 HB2 LEU 35 80.339 -2.190 3.839 268 HB3 LEU 35 HB3 LEU 35 79.301 -0.791 3.596 269 HG LEU 35 HG LEU 35 81.052 0.310 5.321 270 HD11 LEU 35 HD11 LEU 35 82.869 -1.482 3.740 271 HD12 LEU 35 HD12 LEU 35 82.246 -2.016 5.300 272 HD13 LEU 35 HD13 LEU 35 83.223 -0.552 5.193 273 HD21 LEU 35 HD21 LEU 35 80.465 1.001 2.951 274 HD22 LEU 35 HD22 LEU 35 81.755 -0.068 2.402 275 HD23 LEU 35 HD23 LEU 35 82.133 1.317 3.426 276 H PHE 36 H PHE 36 77.759 0.296 4.800 277 HA PHE 36 HA PHE 36 78.614 2.495 6.269 278 HB2 PHE 36 HB2 PHE 36 75.758 2.021 5.394 279 HB3 PHE 36 HB1 PHE 36 76.566 3.570 5.632 280 HD1 PHE 36 HD2 PHE 36 76.576 0.477 3.548 281 HD2 PHE 36 HD1 PHE 36 77.868 4.565 3.887 282 HE1 PHE 36 HE2 PHE 36 77.370 0.424 1.203 283 HE2 PHE 36 HE1 PHE 36 78.651 4.509 1.546 284 HZ PHE 36 HZ PHE 36 78.404 2.442 0.198 285 H GLY 37 H GLY 37 78.988 1.949 8.453 286 HA2 GLY 37 HA2 GLY 37 77.464 2.691 10.434 287 HA3 GLY 37 HA3 GLY 37 76.628 1.195 10.050 288 H ARG 38 H ARG 38 79.285 -0.111 9.362 289 HA ARG 38 HA ARG 38 79.898 -0.890 12.119 290 HB2 ARG 38 HB2 ARG 38 80.121 -2.133 9.463 291 HB3 ARG 38 HB3 ARG 38 81.490 -2.457 10.524 292 HG2 ARG 38 HG2 ARG 38 79.828 -3.125 12.314 293 HG3 ARG 38 HG3 ARG 38 78.568 -3.016 11.086 294 HD2 ARG 38 HD2 ARG 38 81.005 -4.643 10.471 295 HD3 ARG 38 HD3 ARG 38 79.812 -5.319 11.572 296 HE ARG 38 HE ARG 38 78.222 -4.605 9.569 297 HH11 ARG 38 HH21 ARG 38 81.360 -6.093 9.507 298 HH12 ARG 38 HH22 ARG 38 81.075 -6.932 8.020 299 HH21 ARG 38 HH11 ARG 38 77.853 -5.720 7.634 300 HH22 ARG 38 HH12 ARG 38 79.092 -6.729 6.968 301 H LYS 39 H LYS 39 81.923 -0.840 13.058 302 HA LYS 39 HA LYS 39 83.601 1.345 12.404 303 HB2 LYS 39 HB2 LYS 39 83.756 -0.933 14.341 304 HB3 LYS 39 HB3 LYS 39 85.169 0.089 14.088 305 HG2 LYS 39 HG2 LYS 39 82.506 1.389 14.577 306 HG3 LYS 39 HG3 LYS 39 83.390 0.715 15.944 307 HD2 LYS 39 HD2 LYS 39 85.389 2.064 15.258 308 HD3 LYS 39 HD3 LYS 39 84.405 2.813 14.000 309 HE2 LYS 39 HE2 LYS 39 84.195 3.093 16.984 310 HE3 LYS 39 HE3 LYS 39 84.181 4.349 15.745 311 HZ1 LYS 39 HZ1 LYS 39 82.016 2.500 16.523 312 HZ2 LYS 39 HZ2 LYS 39 82.016 3.251 14.999 313 HZ3 LYS 39 HZ3 LYS 39 81.979 4.192 16.414 314 H THR 40 H THR 40 86.047 1.040 12.159 315 HA THR 40 HA THR 40 86.538 -0.318 9.713 316 HB THR 40 HB THR 40 88.941 0.344 10.188 317 HG1 THR 40 HG1 THR 40 87.800 1.831 12.287 318 HG21 THR 40 HG21 THR 40 86.652 2.306 10.175 319 HG22 THR 40 HG22 THR 40 87.674 1.811 8.827 320 HG23 THR 40 HG23 THR 40 88.330 2.843 10.098 321 H GLY 41 H GLY 41 87.721 -2.129 9.242 322 HA2 GLY 41 HA2 GLY 41 88.396 -4.304 9.541 323 HA3 GLY 41 HA3 GLY 41 89.332 -3.651 10.882 324 H GLN 42 H GLN 42 85.833 -4.126 10.341 325 HA GLN 42 HA GLN 42 85.737 -5.561 12.934 326 HB2 GLN 42 HB2 GLN 42 84.503 -3.342 12.723 327 HB3 GLN 42 HB1 GLN 42 83.411 -4.171 11.612 328 HG2 GLN 42 HG2 GLN 42 82.900 -5.843 13.345 329 HG3 GLN 42 HG1 GLN 42 84.006 -5.039 14.457 330 HE21 GLN 42 HE21 GLN 42 82.522 -2.664 12.582 331 HE22 GLN 42 HE22 GLN 42 81.261 -2.256 13.640 332 H ALA 43 H ALA 43 85.128 -5.796 9.547 333 HA ALA 43 HA ALA 43 83.123 -7.774 9.550 334 HB1 ALA 43 HB1 ALA 43 84.902 -8.185 7.344 335 HB2 ALA 43 HB2 ALA 43 84.744 -6.452 7.628 336 HB3 ALA 43 HB3 ALA 43 83.308 -7.433 7.345 337 HA PRO 44 HA PRO 44 85.748 -11.078 11.105 338 HB2 PRO 44 HB2 PRO 44 83.850 -12.987 11.349 339 HB3 PRO 44 HB1 PRO 44 83.926 -11.597 12.451 340 HG2 PRO 44 HG2 PRO 44 82.137 -12.060 10.111 341 HG3 PRO 44 HG1 PRO 44 81.764 -11.354 11.693 342 HD2 PRO 44 HD2 PRO 44 82.235 -9.862 9.408 343 HD3 PRO 44 HD1 PRO 44 82.461 -9.253 11.064 344 H GLY 45 H GLY 45 87.037 -11.440 9.235 345 HA2 GLY 45 HA2 GLY 45 86.648 -13.892 7.897 346 HA3 GLY 45 HA3 GLY 45 86.162 -12.582 6.825 347 H PHE 46 H PHE 46 87.752 -10.938 6.301 348 HA PHE 46 HA PHE 46 90.311 -12.067 5.725 349 HB2 PHE 46 HB2 PHE 46 89.102 -10.358 4.319 350 HB3 PHE 46 HB1 PHE 46 89.518 -9.157 5.542 351 HD1 PHE 46 HD2 PHE 46 91.004 -11.694 3.237 352 HD2 PHE 46 HD1 PHE 46 91.656 -8.144 5.568 353 HE1 PHE 46 HE2 PHE 46 93.252 -11.440 2.221 354 HE2 PHE 46 HE1 PHE 46 93.903 -7.890 4.551 355 HZ PHE 46 HZ PHE 46 94.701 -9.537 2.879 356 H THR 47 H THR 47 92.354 -11.407 6.471 357 HA THR 47 HA THR 47 92.457 -10.815 9.282 358 HB THR 47 HB THR 47 94.695 -11.017 7.256 359 HG1 THR 47 HG1 THR 47 94.439 -13.077 7.455 360 HG21 THR 47 HG21 THR 47 95.515 -9.887 9.191 361 HG22 THR 47 HG22 THR 47 96.000 -11.573 9.377 362 HG23 THR 47 HG23 THR 47 94.616 -10.950 10.276 363 H TYR 48 H TYR 48 91.459 -8.728 9.334 364 HA TYR 48 HA TYR 48 92.330 -6.475 7.911 365 HB2 TYR 48 HB2 TYR 48 90.880 -6.894 10.495 366 HB3 TYR 48 HB3 TYR 48 91.420 -5.272 10.077 367 HD1 TYR 48 HD2 TYR 48 90.948 -4.574 7.562 368 HD2 TYR 48 HD1 TYR 48 88.771 -7.568 9.732 369 HE1 TYR 48 HE2 TYR 48 89.034 -4.293 6.017 370 HE2 TYR 48 HE1 TYR 48 86.852 -7.287 8.188 371 HH TYR 48 HH TYR 48 86.420 -4.717 6.252 372 H THR 49 H THR 49 93.728 -4.797 8.420 373 HA THR 49 HA THR 49 96.094 -5.598 9.888 374 HB THR 49 HB THR 49 97.023 -3.470 9.099 375 HG1 THR 49 HG1 THR 49 94.530 -2.998 7.867 376 HG21 THR 49 HG21 THR 49 96.068 -3.914 6.550 377 HG22 THR 49 HG22 THR 49 95.756 -5.459 7.336 378 HG23 THR 49 HG23 THR 49 97.393 -4.805 7.298 379 H ASP 50 H ASP 50 97.010 -4.433 11.653 380 HA ASP 50 HA ASP 50 95.365 -3.906 13.792 381 HB2 ASP 50 HB2 ASP 50 97.893 -2.323 13.473 382 HB3 ASP 50 HB1 ASP 50 97.241 -3.107 14.911 383 H ALA 51 H ALA 51 96.505 -1.637 11.327 384 HA ALA 51 HA ALA 51 95.546 0.740 12.475 385 HB1 ALA 51 HB1 ALA 51 97.060 0.516 10.456 386 HB2 ALA 51 HB2 ALA 51 95.770 1.708 10.302 387 HB3 ALA 51 HB3 ALA 51 95.616 0.138 9.516 388 H ASN 52 H ASN 52 93.952 -1.669 10.437 389 HA ASN 52 HA ASN 52 91.486 -0.156 10.295 390 HB2 ASN 52 HB2 ASN 52 92.618 -2.548 9.062 391 HB3 ASN 52 HB1 ASN 52 90.940 -2.790 9.531 392 HD21 ASN 52 HD21 ASN 52 90.312 -2.782 7.228 393 HD22 ASN 52 HD22 ASN 52 90.238 -1.321 6.365 394 H LYS 53 H LYS 53 92.895 -2.583 12.328 395 HA LYS 53 HA LYS 53 90.372 -3.311 13.576 396 HB2 LYS 53 HB2 LYS 53 91.682 -5.183 13.676 397 HB3 LYS 53 HB3 LYS 53 93.179 -4.260 13.633 398 HG2 LYS 53 HG2 LYS 53 92.942 -3.685 15.995 399 HG3 LYS 53 HG3 LYS 53 91.372 -4.490 16.057 400 HD2 LYS 53 HD2 LYS 53 92.679 -6.588 15.227 401 HD3 LYS 53 HD3 LYS 53 94.111 -5.712 15.766 402 HE2 LYS 53 HE2 LYS 53 91.761 -6.651 17.410 403 HE3 LYS 53 HE3 LYS 53 93.474 -6.985 17.656 404 HZ1 LYS 53 HZ1 LYS 53 93.455 -4.326 17.779 405 HZ2 LYS 53 HZ2 LYS 53 93.291 -5.329 19.140 406 HZ3 LYS 53 HZ3 LYS 53 91.914 -4.658 18.404 407 H ASN 54 H ASN 54 92.656 -0.862 13.790 408 HA ASN 54 HA ASN 54 92.730 -0.369 16.577 409 HB2 ASN 54 HB2 ASN 54 93.819 1.588 16.022 410 HB3 ASN 54 HB1 ASN 54 94.113 0.640 14.570 411 HD21 ASN 54 HD21 ASN 54 91.446 0.904 13.433 412 HD22 ASN 54 HD22 ASN 54 91.246 2.527 12.980 413 H LYS 55 H LYS 55 90.324 0.034 14.203 414 HA LYS 55 HA LYS 55 88.210 0.962 14.229 415 HB2 LYS 55 HB2 LYS 55 88.624 0.553 17.197 416 HB3 LYS 55 HB3 LYS 55 87.081 0.982 16.458 417 HG2 LYS 55 HG2 LYS 55 87.029 -1.067 15.193 418 HG3 LYS 55 HG3 LYS 55 88.686 -1.458 15.657 419 HD2 LYS 55 HD2 LYS 55 87.924 -1.525 18.054 420 HD3 LYS 55 HD3 LYS 55 86.268 -1.331 17.480 421 HE2 LYS 55 HE2 LYS 55 86.369 -3.406 16.256 422 HE3 LYS 55 HE3 LYS 55 88.101 -3.558 16.555 423 HZ1 LYS 55 HZ1 LYS 55 87.265 -4.892 18.186 424 HZ2 LYS 55 HZ2 LYS 55 85.851 -3.973 18.388 425 HZ3 LYS 55 HZ3 LYS 55 87.324 -3.421 19.027 426 H GLY 56 H GLY 56 89.677 2.913 13.573 427 HA2 GLY 56 HA2 GLY 56 89.776 5.049 15.542 428 HA3 GLY 56 HA3 GLY 56 90.328 5.140 13.873 429 H ILE 57 H ILE 57 87.989 4.306 12.567 430 HA ILE 57 HA ILE 57 85.914 6.212 13.414 431 HB ILE 57 HB ILE 57 85.762 7.216 11.228 432 HG12 ILE 57 HG12 ILE 57 87.738 6.567 9.599 433 HG13 ILE 57 HG13 ILE 57 87.754 5.065 10.521 434 HG21 ILE 57 HG21 ILE 57 87.452 8.105 12.842 435 HG22 ILE 57 HG22 ILE 57 87.883 8.403 11.159 436 HG23 ILE 57 HG23 ILE 57 88.676 7.108 12.056 437 HD11 ILE 57 HD11 ILE 57 85.794 4.344 9.607 438 HD12 ILE 57 HD12 ILE 57 86.162 5.513 8.344 439 HD13 ILE 57 HD13 ILE 57 85.063 5.948 9.649 440 H THR 58 H THR 58 84.017 5.985 11.695 441 HA THR 58 HA THR 58 83.582 3.085 11.301 442 HB THR 58 HB THR 58 81.645 5.251 12.127 443 HG1 THR 58 HG1 THR 58 82.332 4.475 13.954 444 HG21 THR 58 HG21 THR 58 81.152 2.412 11.210 445 HG22 THR 58 HG22 THR 58 80.467 3.888 10.536 446 HG23 THR 58 HG23 THR 58 79.979 3.340 12.140 447 H TRP 59 H TRP 59 82.734 2.375 9.400 448 HA TRP 59 HA TRP 59 83.089 3.958 7.088 449 HB2 TRP 59 HB2 TRP 59 81.278 1.554 7.213 450 HB3 TRP 59 HB1 TRP 59 82.245 2.131 5.857 451 HD1 TRP 59 HD1 TRP 59 85.016 2.504 7.239 452 HE1 TRP 59 HE1 TRP 59 86.363 0.447 8.027 453 HE3 TRP 59 HE3 TRP 59 81.266 -0.931 7.619 454 HZ2 TRP 59 HZ2 TRP 59 85.894 -2.285 8.755 455 HZ3 TRP 59 HZ3 TRP 59 81.739 -3.247 8.350 456 HH2 TRP 59 HH2 TRP 59 84.049 -3.927 8.920 457 H LYS 60 H LYS 60 81.731 5.201 5.934 458 HA LYS 60 HA LYS 60 78.864 5.171 6.390 459 HB2 LYS 60 HB2 LYS 60 80.561 7.575 7.112 460 HB3 LYS 60 HB3 LYS 60 78.809 7.618 6.928 461 HG2 LYS 60 HG2 LYS 60 78.714 5.737 8.654 462 HG3 LYS 60 HG3 LYS 60 80.414 6.074 8.973 463 HD2 LYS 60 HD2 LYS 60 78.327 8.257 9.053 464 HD3 LYS 60 HD3 LYS 60 78.691 7.269 10.467 465 HE2 LYS 60 HE2 LYS 60 81.104 7.905 10.223 466 HE3 LYS 60 HE3 LYS 60 80.638 9.006 8.925 467 HZ1 LYS 60 HZ1 LYS 60 80.271 9.256 11.784 468 HZ2 LYS 60 HZ2 LYS 60 78.921 9.697 10.852 469 HZ3 LYS 60 HZ3 LYS 60 80.418 10.459 10.598 470 H GLU 61 H GLU 61 78.367 7.707 5.204 471 HA GLU 61 HA GLU 61 78.824 7.022 2.448 472 HB2 GLU 61 HB2 GLU 61 76.756 8.178 3.464 473 HB3 GLU 61 HB3 GLU 61 77.728 9.649 3.437 474 HG2 GLU 61 HG2 GLU 61 76.621 9.715 1.365 475 HG3 GLU 61 HG3 GLU 61 78.193 9.032 0.953 476 H GLU 62 H GLU 62 79.652 9.917 4.381 477 HA GLU 62 HA GLU 62 81.440 10.948 2.414 478 HB2 GLU 62 HB2 GLU 62 81.115 11.584 5.355 479 HB3 GLU 62 HB3 GLU 62 82.145 12.495 4.248 480 HG2 GLU 62 HG2 GLU 62 79.193 12.034 3.764 481 HG3 GLU 62 HG3 GLU 62 79.824 13.462 4.581 482 H THR 63 H THR 63 81.923 9.137 5.432 483 HA THR 63 HA THR 63 84.695 9.204 5.576 484 HB THR 63 HB THR 63 84.529 7.058 6.779 485 HG1 THR 63 HG1 THR 63 82.900 6.214 5.332 486 HG21 THR 63 HG21 THR 63 83.998 8.966 8.089 487 HG22 THR 63 HG22 THR 63 82.715 7.799 8.413 488 HG23 THR 63 HG23 THR 63 82.424 9.149 7.316 489 H LEU 64 H LEU 64 82.572 7.217 3.594 490 HA LEU 64 HA LEU 64 84.633 5.528 2.575 491 HB2 LEU 64 HB2 LEU 64 81.771 5.921 2.127 492 HB3 LEU 64 HB3 LEU 64 82.646 5.554 0.647 493 HG LEU 64 HG LEU 64 82.968 3.935 3.178 494 HD11 LEU 64 HD11 LEU 64 81.568 2.352 1.405 495 HD12 LEU 64 HD12 LEU 64 80.825 3.930 1.156 496 HD13 LEU 64 HD13 LEU 64 80.856 3.218 2.766 497 HD21 LEU 64 HD21 LEU 64 83.427 2.633 0.601 498 HD22 LEU 64 HD22 LEU 64 84.500 2.763 1.993 499 HD23 LEU 64 HD23 LEU 64 84.453 4.054 0.796 500 H MET 65 H MET 65 83.230 8.611 1.595 501 HA MET 65 HA MET 65 84.325 8.752 -0.994 502 HB2 MET 65 HB2 MET 65 83.675 10.970 0.953 503 HB3 MET 65 HB1 MET 65 84.047 11.210 -0.755 504 HG2 MET 65 HG2 MET 65 82.126 9.966 -1.444 505 HG3 MET 65 HG1 MET 65 81.845 9.371 0.190 506 HE1 MET 65 HE1 MET 65 80.361 11.400 -2.287 507 HE2 MET 65 HE2 MET 65 81.858 12.327 -2.227 508 HE3 MET 65 HE3 MET 65 80.337 13.093 -1.772 509 H GLU 66 H GLU 66 85.567 10.236 2.013 510 HA GLU 66 HA GLU 66 87.997 11.130 0.912 511 HB2 GLU 66 HB2 GLU 66 87.226 10.381 3.739 512 HB3 GLU 66 HB3 GLU 66 88.795 11.069 3.320 513 HG2 GLU 66 HG2 GLU 66 86.178 12.383 2.563 514 HG3 GLU 66 HG3 GLU 66 87.031 12.748 4.062 515 H TYR 67 H TYR 67 86.951 8.042 2.129 516 HA TYR 67 HA TYR 67 89.584 6.862 2.213 517 HB2 TYR 67 HB2 TYR 67 87.977 5.948 3.711 518 HB3 TYR 67 HB3 TYR 67 86.782 5.777 2.434 519 HD1 TYR 67 HD2 TYR 67 86.915 3.972 0.797 520 HD2 TYR 67 HD1 TYR 67 89.850 4.377 3.906 521 HE1 TYR 67 HE2 TYR 67 87.721 1.672 0.336 522 HE2 TYR 67 HE1 TYR 67 90.655 2.078 3.446 523 HH TYR 67 HH TYR 67 90.274 0.483 0.845 524 H LEU 68 H LEU 68 87.030 7.253 -0.114 525 HA LEU 68 HA LEU 68 88.008 5.222 -1.923 526 HB2 LEU 68 HB2 LEU 68 85.736 7.120 -1.822 527 HB3 LEU 68 HB3 LEU 68 86.307 6.717 -3.433 528 HG LEU 68 HG LEU 68 85.618 4.654 -1.324 529 HD11 LEU 68 HD11 LEU 68 83.978 5.929 -3.510 530 HD12 LEU 68 HD12 LEU 68 83.547 5.635 -1.826 531 HD13 LEU 68 HD13 LEU 68 83.630 4.288 -2.960 532 HD21 LEU 68 HD21 LEU 68 85.386 3.392 -3.685 533 HD22 LEU 68 HD22 LEU 68 86.909 3.466 -2.807 534 HD23 LEU 68 HD23 LEU 68 86.605 4.577 -4.138 535 H GLU 69 H GLU 69 88.913 8.394 -1.185 536 HA GLU 69 HA GLU 69 90.003 8.884 -3.879 537 HB2 GLU 69 HB2 GLU 69 89.943 11.123 -3.407 538 HB3 GLU 69 HB3 GLU 69 88.700 10.600 -2.275 539 HG2 GLU 69 HG2 GLU 69 90.619 10.319 -0.576 540 HG3 GLU 69 HG3 GLU 69 91.589 11.264 -1.702 541 H ASN 70 H ASN 70 90.881 7.662 -0.864 542 HA ASN 70 HA ASN 70 93.575 7.198 -1.614 543 HB2 ASN 70 HB2 ASN 70 93.437 9.743 -0.943 544 HB3 ASN 70 HB1 ASN 70 93.451 9.105 0.697 545 HD21 ASN 70 HD21 ASN 70 95.206 6.903 0.399 546 HD22 ASN 70 HD22 ASN 70 96.743 7.475 -0.039 547 HA PRO 71 HA PRO 71 91.343 4.526 1.582 548 HB2 PRO 71 HB2 PRO 71 93.015 2.619 -0.011 549 HB3 PRO 71 HB1 PRO 71 91.366 2.425 0.609 550 HG2 PRO 71 HG2 PRO 71 91.826 2.959 -1.958 551 HG3 PRO 71 HG1 PRO 71 90.434 3.646 -1.104 552 HD2 PRO 71 HD2 PRO 71 92.947 4.985 -1.982 553 HD3 PRO 71 HD1 PRO 71 91.321 5.669 -1.757 554 H LYS 72 H LYS 72 94.718 4.561 0.479 555 HA LYS 72 HA LYS 72 95.765 3.257 2.793 556 HB2 LYS 72 HB2 LYS 72 96.906 3.307 0.586 557 HB3 LYS 72 HB3 LYS 72 97.201 5.029 0.810 558 HG2 LYS 72 HG2 LYS 72 99.070 4.532 1.975 559 HG3 LYS 72 HG3 LYS 72 98.070 3.760 3.203 560 HD2 LYS 72 HD2 LYS 72 98.972 2.344 0.679 561 HD3 LYS 72 HD3 LYS 72 99.871 2.280 2.194 562 HE2 LYS 72 HE2 LYS 72 97.029 1.330 1.731 563 HE3 LYS 72 HE3 LYS 72 98.437 0.330 2.083 564 HZ1 LYS 72 HZ1 LYS 72 97.372 0.573 4.120 565 HZ2 LYS 72 HZ2 LYS 72 97.032 2.218 3.868 566 HZ3 LYS 72 HZ3 LYS 72 98.623 1.716 4.189 567 H LYS 73 H LYS 73 95.683 6.664 1.768 568 HA LYS 73 HA LYS 73 97.063 7.686 3.991 569 HB2 LYS 73 HB2 LYS 73 96.615 8.881 1.819 570 HB3 LYS 73 HB3 LYS 73 94.970 9.151 2.390 571 HG2 LYS 73 HG2 LYS 73 96.046 10.165 4.498 572 HG3 LYS 73 HG3 LYS 73 97.547 10.185 3.574 573 HD2 LYS 73 HD2 LYS 73 96.729 12.291 3.049 574 HD3 LYS 73 HD3 LYS 73 96.013 11.351 1.741 575 HE2 LYS 73 HE2 LYS 73 93.962 11.056 3.189 576 HE3 LYS 73 HE3 LYS 73 94.678 12.200 4.325 577 HZ1 LYS 73 HZ1 LYS 73 94.930 13.605 2.133 578 HZ2 LYS 73 HZ2 LYS 73 93.494 13.625 3.040 579 HZ3 LYS 73 HZ3 LYS 73 93.607 12.663 1.644 580 H TYR 74 H TYR 74 93.633 6.987 3.498 581 HA TYR 74 HA TYR 74 92.670 8.408 5.745 582 HB2 TYR 74 HB2 TYR 74 91.461 7.128 3.705 583 HB3 TYR 74 HB3 TYR 74 91.267 5.906 4.960 584 HD1 TYR 74 HD1 TYR 74 91.024 9.643 4.624 585 HD2 TYR 74 HD2 TYR 74 89.329 6.049 6.256 586 HE1 TYR 74 HE1 TYR 74 89.176 10.964 5.616 587 HE2 TYR 74 HE2 TYR 74 87.482 7.372 7.248 588 HH TYR 74 HH TYR 74 87.118 9.758 7.977 589 H ILE 75 H ILE 75 93.260 4.901 5.391 590 HA ILE 75 HA ILE 75 93.870 4.805 8.284 591 HB ILE 75 HB ILE 75 92.371 2.658 6.769 592 HG12 ILE 75 HG12 ILE 75 91.217 4.560 8.821 593 HG13 ILE 75 HG13 ILE 75 91.146 4.900 7.093 594 HG21 ILE 75 HG21 ILE 75 91.877 1.937 9.156 595 HG22 ILE 75 HG22 ILE 75 93.076 3.119 9.681 596 HG23 ILE 75 HG23 ILE 75 93.560 1.763 8.661 597 HD11 ILE 75 HD11 ILE 75 89.904 2.869 6.674 598 HD12 ILE 75 HD12 ILE 75 89.099 3.738 7.981 599 HD13 ILE 75 HD13 ILE 75 90.116 2.342 8.343 600 HA PRO 76 HA PRO 76 97.456 3.423 5.547 601 HB2 PRO 76 HB2 PRO 76 98.586 4.017 8.268 602 HB3 PRO 76 HB1 PRO 76 99.289 4.324 6.667 603 HG2 PRO 76 HG2 PRO 76 98.136 6.272 8.079 604 HG3 PRO 76 HG1 PRO 76 98.011 6.201 6.313 605 HD2 PRO 76 HD2 PRO 76 95.919 5.695 8.350 606 HD3 PRO 76 HD1 PRO 76 95.739 6.141 6.640 607 H GLY 77 H GLY 77 98.801 1.529 5.795 608 HA2 GLY 77 HA2 GLY 77 99.425 -0.535 6.701 609 HA3 GLY 77 HA3 GLY 77 98.327 -0.250 8.049 610 H THR 78 H THR 78 96.113 0.452 6.201 611 HA THR 78 HA THR 78 94.812 -2.006 6.040 612 HB THR 78 HB THR 78 93.710 0.232 5.920 613 HG1 THR 78 HG1 THR 78 92.621 -1.659 5.252 614 HG21 THR 78 HG21 THR 78 94.533 0.177 3.014 615 HG22 THR 78 HG22 THR 78 95.409 1.098 4.236 616 HG23 THR 78 HG23 THR 78 93.724 1.480 3.886 617 H LYS 79 H LYS 79 94.756 -3.633 4.571 618 HA LYS 79 HA LYS 79 96.756 -3.610 2.470 619 HB2 LYS 79 HB2 LYS 79 94.722 -5.698 3.283 620 HB3 LYS 79 HB3 LYS 79 95.960 -5.930 2.049 621 HG2 LYS 79 HG2 LYS 79 97.588 -5.120 3.976 622 HG3 LYS 79 HG3 LYS 79 96.274 -5.658 5.020 623 HD2 LYS 79 HD2 LYS 79 96.308 -7.858 3.777 624 HD3 LYS 79 HD3 LYS 79 97.778 -7.304 2.973 625 HE2 LYS 79 HE2 LYS 79 98.944 -7.121 5.082 626 HE3 LYS 79 HE3 LYS 79 97.462 -7.439 5.984 627 HZ1 LYS 79 HZ1 LYS 79 98.084 -9.559 5.922 628 HZ2 LYS 79 HZ2 LYS 79 99.268 -9.279 4.735 629 HZ3 LYS 79 HZ3 LYS 79 97.653 -9.550 4.282 630 H MET 80 H MET 80 96.057 -2.062 0.986 631 HA MET 80 HA MET 80 94.389 -2.972 -1.091 632 HB2 MET 80 HB2 MET 80 92.490 -2.549 0.311 633 HB3 MET 80 HB1 MET 80 93.126 -0.978 0.802 634 HG2 MET 80 HG2 MET 80 92.696 -0.005 -1.293 635 HG3 MET 80 HG1 MET 80 92.613 -1.566 -2.109 636 HE1 MET 80 HE1 MET 80 90.901 0.660 -2.602 637 HE2 MET 80 HE2 MET 80 90.289 1.317 -1.088 638 HE3 MET 80 HE3 MET 80 89.192 0.485 -2.183 639 H ILE 81 H ILE 81 96.036 -2.279 -2.403 640 HA ILE 81 HA ILE 81 96.308 0.649 -2.693 641 HB ILE 81 HB ILE 81 98.574 -1.357 -2.861 642 HG12 ILE 81 HG12 ILE 81 99.321 0.297 -0.894 643 HG13 ILE 81 HG13 ILE 81 97.578 0.480 -0.706 644 HG21 ILE 81 HG21 ILE 81 99.900 0.845 -2.925 645 HG22 ILE 81 HG22 ILE 81 98.365 1.624 -3.306 646 HG23 ILE 81 HG23 ILE 81 99.026 0.401 -4.391 647 HD11 ILE 81 HD11 ILE 81 97.847 -1.361 0.638 648 HD12 ILE 81 HD12 ILE 81 99.304 -1.889 -0.199 649 HD13 ILE 81 HD13 ILE 81 97.718 -2.217 -0.896 650 H PHE 82 H PHE 82 94.886 0.599 -4.460 651 HA PHE 82 HA PHE 82 95.978 -0.705 -6.888 652 HB2 PHE 82 HB2 PHE 82 93.929 -1.840 -6.223 653 HB3 PHE 82 HB1 PHE 82 93.077 -0.299 -6.120 654 HD1 PHE 82 HD1 PHE 82 95.201 -2.214 -8.556 655 HD2 PHE 82 HD2 PHE 82 91.812 0.360 -7.970 656 HE1 PHE 82 HE1 PHE 82 94.685 -2.343 -10.977 657 HE2 PHE 82 HE2 PHE 82 91.296 0.229 -10.392 658 HZ PHE 82 HZ PHE 82 92.732 -1.123 -11.895 659 H ALA 83 H ALA 83 93.383 1.647 -6.242 660 HA ALA 83 HA ALA 83 94.817 3.879 -7.289 661 HB1 ALA 83 HB1 ALA 83 93.377 4.154 -9.340 662 HB2 ALA 83 HB2 ALA 83 92.839 2.491 -9.107 663 HB3 ALA 83 HB3 ALA 83 94.539 2.829 -9.432 664 H GLY 84 H GLY 84 93.897 5.670 -6.499 665 HA2 GLY 84 HA2 GLY 84 91.375 5.468 -5.083 666 HA3 GLY 84 HA3 GLY 84 92.439 6.870 -5.135 667 H ILE 85 H ILE 85 89.860 7.451 -5.333 668 HA ILE 85 HA ILE 85 89.026 7.528 -8.131 669 HB ILE 85 HB ILE 85 87.756 8.554 -5.588 670 HG12 ILE 85 HG12 ILE 85 87.962 5.992 -6.270 671 HG13 ILE 85 HG13 ILE 85 86.458 6.624 -5.610 672 HG21 ILE 85 HG21 ILE 85 86.933 9.995 -7.271 673 HG22 ILE 85 HG22 ILE 85 85.717 8.722 -7.170 674 HG23 ILE 85 HG23 ILE 85 86.899 8.708 -8.476 675 HD11 ILE 85 HD11 ILE 85 86.320 5.189 -7.762 676 HD12 ILE 85 HD12 ILE 85 86.949 6.617 -8.584 677 HD13 ILE 85 HD13 ILE 85 85.413 6.701 -7.719 678 H LYS 86 H LYS 86 88.391 9.597 -9.132 679 HA LYS 86 HA LYS 86 90.339 11.702 -8.453 680 HB2 LYS 86 HB2 LYS 86 88.817 11.929 -10.978 681 HB3 LYS 86 HB3 LYS 86 90.545 12.115 -10.678 682 HG2 LYS 86 HG2 LYS 86 90.652 9.591 -10.395 683 HG3 LYS 86 HG3 LYS 86 88.999 9.534 -11.007 684 HD2 LYS 86 HD2 LYS 86 89.917 10.946 -12.990 685 HD3 LYS 86 HD3 LYS 86 91.503 10.406 -12.438 686 HE2 LYS 86 HE2 LYS 86 90.853 8.786 -14.045 687 HE3 LYS 86 HE3 LYS 86 90.517 8.026 -12.490 688 HZ1 LYS 86 HZ1 LYS 86 88.525 7.686 -13.469 689 HZ2 LYS 86 HZ2 LYS 86 88.670 9.020 -14.513 690 HZ3 LYS 86 HZ3 LYS 86 88.217 9.252 -12.891 691 H LYS 87 H LYS 87 87.116 11.762 -10.003 692 HA LYS 87 HA LYS 87 86.553 14.339 -8.820 693 HB2 LYS 87 HB2 LYS 87 84.924 12.484 -10.563 694 HB3 LYS 87 HB3 LYS 87 84.353 14.057 -10.010 695 HG2 LYS 87 HG2 LYS 87 87.034 13.878 -11.356 696 HG3 LYS 87 HG3 LYS 87 85.577 13.828 -12.349 697 HD2 LYS 87 HD2 LYS 87 84.812 15.942 -11.229 698 HD3 LYS 87 HD3 LYS 87 86.373 16.019 -10.410 699 HE2 LYS 87 HE2 LYS 87 86.497 17.403 -12.394 700 HE3 LYS 87 HE3 LYS 87 87.483 15.966 -12.665 701 HZ1 LYS 87 HZ1 LYS 87 86.245 15.482 -14.415 702 HZ2 LYS 87 HZ2 LYS 87 85.308 16.877 -14.164 703 HZ3 LYS 87 HZ3 LYS 87 84.853 15.405 -13.448 704 H LYS 88 H LYS 88 84.567 14.784 -7.619 705 HA LYS 88 HA LYS 88 84.280 13.017 -5.385 706 HB2 LYS 88 HB2 LYS 88 84.021 15.559 -5.367 707 HB3 LYS 88 HB3 LYS 88 82.428 15.298 -6.082 708 HG2 LYS 88 HG2 LYS 88 82.009 13.662 -4.138 709 HG3 LYS 88 HG3 LYS 88 83.437 14.373 -3.387 710 HD2 LYS 88 HD2 LYS 88 81.525 15.576 -2.550 711 HD3 LYS 88 HD3 LYS 88 82.360 16.640 -3.681 712 HE2 LYS 88 HE2 LYS 88 80.314 14.924 -4.945 713 HE3 LYS 88 HE3 LYS 88 79.670 16.076 -3.777 714 HZ1 LYS 88 HZ1 LYS 88 80.212 17.815 -5.058 715 HZ2 LYS 88 HZ2 LYS 88 80.223 16.674 -6.317 716 HZ3 LYS 88 HZ3 LYS 88 81.678 17.135 -5.571 717 H THR 89 H THR 89 82.188 13.914 -8.127 718 HA THR 89 HA THR 89 79.945 12.402 -7.414 719 HB THR 89 HB THR 89 79.437 12.368 -9.857 720 HG1 THR 89 HG1 THR 89 81.731 12.262 -10.416 721 HG21 THR 89 HG21 THR 89 78.943 14.320 -8.332 722 HG22 THR 89 HG22 THR 89 79.127 14.753 -10.032 723 HG23 THR 89 HG23 THR 89 80.441 15.059 -8.896 724 H GLU 90 H GLU 90 83.030 11.425 -8.687 725 HA GLU 90 HA GLU 90 82.236 8.870 -9.672 726 HB2 GLU 90 HB2 GLU 90 84.870 10.058 -8.819 727 HB3 GLU 90 HB3 GLU 90 84.742 8.356 -9.252 728 HG2 GLU 90 HG2 GLU 90 84.054 8.862 -11.467 729 HG3 GLU 90 HG3 GLU 90 83.705 10.541 -11.058 730 H ARG 91 H ARG 91 83.366 10.101 -6.567 731 HA ARG 91 HA ARG 91 83.386 7.540 -5.264 732 HB2 ARG 91 HB2 ARG 91 83.216 10.281 -3.984 733 HB3 ARG 91 HB3 ARG 91 83.784 8.790 -3.239 734 HG2 ARG 91 HG2 ARG 91 85.636 8.699 -4.887 735 HG3 ARG 91 HG3 ARG 91 85.098 10.244 -5.546 736 HD2 ARG 91 HD2 ARG 91 85.253 10.790 -2.845 737 HD3 ARG 91 HD3 ARG 91 86.604 9.684 -3.077 738 HE ARG 91 HE ARG 91 86.847 11.476 -5.138 739 HH11 ARG 91 HH21 ARG 91 86.554 11.669 -1.694 740 HH12 ARG 91 HH22 ARG 91 87.474 13.130 -1.560 741 HH21 ARG 91 HH11 ARG 91 88.056 13.391 -4.969 742 HH22 ARG 91 HH12 ARG 91 88.325 14.104 -3.413 743 H GLU 92 H GLU 92 81.221 10.377 -5.191 744 HA GLU 92 HA GLU 92 79.290 9.366 -3.449 745 HB2 GLU 92 HB2 GLU 92 79.456 11.725 -4.407 746 HB3 GLU 92 HB3 GLU 92 78.656 11.091 -5.847 747 HG2 GLU 92 HG2 GLU 92 76.791 10.273 -4.405 748 HG3 GLU 92 HG3 GLU 92 77.570 11.032 -3.017 749 H ASP 93 H ASP 93 79.305 9.267 -7.023 750 HA ASP 93 HA ASP 93 76.995 7.699 -7.324 751 HB2 ASP 93 HB2 ASP 93 79.458 7.934 -9.068 752 HB3 ASP 93 HB1 ASP 93 77.985 7.096 -9.552 753 H LEU 94 H LEU 94 80.423 6.744 -7.199 754 HA LEU 94 HA LEU 94 80.077 3.979 -7.441 755 HB2 LEU 94 HB2 LEU 94 82.285 5.018 -7.577 756 HB3 LEU 94 HB3 LEU 94 82.166 5.520 -5.892 757 HG LEU 94 HG LEU 94 82.125 3.210 -5.145 758 HD11 LEU 94 HD11 LEU 94 82.644 1.480 -7.049 759 HD12 LEU 94 HD12 LEU 94 81.907 2.692 -8.096 760 HD13 LEU 94 HD13 LEU 94 80.980 1.988 -6.770 761 HD21 LEU 94 HD21 LEU 94 84.319 3.436 -7.213 762 HD22 LEU 94 HD22 LEU 94 84.381 2.635 -5.644 763 HD23 LEU 94 HD23 LEU 94 84.318 4.394 -5.731 764 H ILE 95 H ILE 95 79.841 6.108 -4.662 765 HA ILE 95 HA ILE 95 79.641 3.974 -2.770 766 HB ILE 95 HB ILE 95 79.328 6.951 -2.636 767 HG12 ILE 95 HG12 ILE 95 80.989 5.397 -0.730 768 HG13 ILE 95 HG13 ILE 95 81.476 5.259 -2.412 769 HG21 ILE 95 HG21 ILE 95 77.628 6.433 -1.117 770 HG22 ILE 95 HG22 ILE 95 79.043 6.414 -0.065 771 HG23 ILE 95 HG23 ILE 95 78.365 4.899 -0.661 772 HD11 ILE 95 HD11 ILE 95 80.881 8.018 -1.519 773 HD12 ILE 95 HD12 ILE 95 82.203 7.408 -2.509 774 HD13 ILE 95 HD13 ILE 95 82.281 7.269 -0.760 775 H ALA 96 H ALA 96 77.429 5.866 -4.684 776 HA ALA 96 HA ALA 96 75.038 5.303 -3.298 777 HB1 ALA 96 HB1 ALA 96 73.909 5.900 -5.343 778 HB2 ALA 96 HB2 ALA 96 75.361 5.592 -6.294 779 HB3 ALA 96 HB3 ALA 96 75.310 6.959 -5.180 780 H TYR 97 H TYR 97 76.919 3.532 -5.686 781 HA TYR 97 HA TYR 97 75.012 1.406 -5.992 782 HB2 TYR 97 HB2 TYR 97 76.538 1.764 -7.808 783 HB3 TYR 97 HB3 TYR 97 77.933 1.664 -6.733 784 HD1 TYR 97 HD1 TYR 97 75.072 -0.306 -8.100 785 HD2 TYR 97 HD2 TYR 97 78.922 -0.429 -6.200 786 HE1 TYR 97 HE1 TYR 97 75.154 -2.762 -8.425 787 HE2 TYR 97 HE2 TYR 97 79.004 -2.884 -6.526 788 HH TYR 97 HH TYR 97 77.849 -4.543 -8.286 789 H LEU 98 H LEU 98 78.218 1.626 -4.414 790 HA LEU 98 HA LEU 98 78.368 -0.835 -3.236 791 HB2 LEU 98 HB2 LEU 98 79.260 1.885 -2.341 792 HB3 LEU 98 HB3 LEU 98 79.485 0.509 -1.271 793 HG LEU 98 HG LEU 98 80.355 0.261 -4.137 794 HD11 LEU 98 HD11 LEU 98 82.438 1.300 -3.775 795 HD12 LEU 98 HD12 LEU 98 82.202 1.371 -2.031 796 HD13 LEU 98 HD13 LEU 98 81.280 2.435 -3.091 797 HD21 LEU 98 HD21 LEU 98 80.360 -1.654 -2.508 798 HD22 LEU 98 HD22 LEU 98 81.526 -0.759 -1.537 799 HD23 LEU 98 HD23 LEU 98 81.954 -1.286 -3.165 800 H LYS 99 H LYS 99 76.135 1.708 -2.525 801 HA LYS 99 HA LYS 99 75.399 0.726 0.093 802 HB2 LYS 99 HB2 LYS 99 74.451 2.897 -1.733 803 HB3 LYS 99 HB3 LYS 99 73.365 2.342 -0.460 804 HG2 LYS 99 HG2 LYS 99 75.337 2.666 1.153 805 HG3 LYS 99 HG3 LYS 99 76.123 3.546 -0.158 806 HD2 LYS 99 HD2 LYS 99 73.365 4.218 0.903 807 HD3 LYS 99 HD3 LYS 99 74.843 5.014 1.442 808 HE2 LYS 99 HE2 LYS 99 75.298 5.579 -0.991 809 HE3 LYS 99 HE3 LYS 99 73.666 5.016 -1.347 810 HZ1 LYS 99 HZ1 LYS 99 74.099 6.987 0.791 811 HZ2 LYS 99 HZ2 LYS 99 72.715 6.717 -0.158 812 HZ3 LYS 99 HZ3 LYS 99 74.069 7.498 -0.825 813 H LYS 100 H LYS 100 73.728 0.876 -3.063 814 HA LYS 100 HA LYS 100 71.582 -0.811 -2.206 815 HB2 LYS 100 HB2 LYS 100 72.511 0.054 -4.950 816 HB3 LYS 100 HB3 LYS 100 71.055 -0.899 -4.665 817 HG2 LYS 100 HG2 LYS 100 70.179 0.878 -3.190 818 HG3 LYS 100 HG3 LYS 100 71.628 1.838 -3.494 819 HD2 LYS 100 HD2 LYS 100 71.083 2.128 -5.791 820 HD3 LYS 100 HD3 LYS 100 69.859 0.859 -5.739 821 HE2 LYS 100 HE2 LYS 100 69.677 3.416 -4.127 822 HE3 LYS 100 HE3 LYS 100 68.929 3.211 -5.711 823 HZ1 LYS 100 HZ1 LYS 100 67.990 1.065 -4.582 824 HZ2 LYS 100 HZ2 LYS 100 67.231 2.568 -4.359 825 HZ3 LYS 100 HZ3 LYS 100 68.256 1.945 -3.156 826 H ALA 101 H ALA 101 74.765 -1.409 -3.320 827 HA ALA 101 HA ALA 101 74.215 -4.106 -4.257 828 HB1 ALA 101 HB1 ALA 101 76.022 -2.477 -5.161 829 HB2 ALA 101 HB2 ALA 101 76.454 -4.172 -4.944 830 HB3 ALA 101 HB3 ALA 101 76.956 -2.975 -3.751 831 H THR 102 H THR 102 75.428 -2.475 -1.402 832 HA THR 102 HA THR 102 76.207 -5.004 -0.146 833 HB THR 102 HB THR 102 76.905 -3.551 1.742 834 HG1 THR 102 HG1 THR 102 75.282 -1.853 0.508 835 HG21 THR 102 HG21 THR 102 77.845 -2.983 -1.061 836 HG22 THR 102 HG22 THR 102 78.633 -3.929 0.199 837 HG23 THR 102 HG23 THR 102 78.587 -2.171 0.318 838 H ASN 103 H ASN 103 73.418 -3.347 -0.656 839 HA ASN 103 HA ASN 103 72.221 -3.959 1.959 840 HB2 ASN 103 HB2 ASN 103 71.388 -2.282 -0.396 841 HB3 ASN 103 HB1 ASN 103 70.234 -2.746 0.848 842 HD21 ASN 103 HD21 ASN 103 73.604 -2.222 1.700 843 HD22 ASN 103 HD22 ASN 103 73.352 -0.769 2.539 844 H GLU 104 H GLU 104 72.346 -5.028 -1.327 845 HA GLU 104 HA GLU 104 69.925 -6.630 -1.148 846 HB2 GLU 104 HB2 GLU 104 72.064 -6.333 -3.259 847 HB3 GLU 104 HB3 GLU 104 70.733 -7.480 -3.401 848 HG2 GLU 104 HG2 GLU 104 70.316 -4.526 -2.890 849 HG3 GLU 104 HG3 GLU 104 70.332 -5.230 -4.507 850 HHA HEC 201 HA HEC 105 89.370 -3.485 3.202 851 HHB HEC 201 HB HEC 105 85.603 0.052 -0.438 852 HHC HEC 201 HC HEC 105 88.844 -1.790 -5.554 853 HHD HEC 201 HD HEC 105 92.195 -5.785 -1.968 854 HMA1 HEC 201 HMA1 HEC 105 84.676 -0.165 1.582 855 HMA2 HEC 201 HMA2 HEC 105 85.842 0.912 2.352 856 HMA3 HEC 201 HMA3 HEC 105 85.152 -0.435 3.256 857 HAA1 HEC 201 HAA1 HEC 105 86.981 -0.893 4.488 858 HAA2 HEC 201 HAA2 HEC 105 88.423 -1.885 4.454 859 HBA1 HEC 201 HBA1 HEC 105 87.244 -3.860 4.680 860 HBA2 HEC 201 HBA2 HEC 105 85.789 -3.206 3.936 861 HMB1 HEC 201 HMB1 HEC 105 84.174 0.186 -2.701 862 HMB2 HEC 201 HMB2 HEC 105 84.863 1.190 -3.971 863 HMB3 HEC 201 HMB3 HEC 105 85.196 1.561 -2.283 864 HAB HEC 201 HAB HEC 105 87.343 -0.586 -6.217 865 HBB1 HEC 201 HBB1 HEC 105 86.761 1.996 -4.820 866 HBB2 HEC 201 HBB2 HEC 105 87.987 1.628 -6.029 867 HBB3 HEC 201 HBB3 HEC 105 86.309 1.846 -6.517 868 HMC1 HEC 201 HMC1 HEC 105 91.361 -2.594 -6.641 869 HMC2 HEC 201 HMC2 HEC 105 89.802 -3.372 -6.892 870 HMC3 HEC 201 HMC3 HEC 105 91.274 -4.334 -6.901 871 HAC HEC 201 HAC HEC 105 92.666 -6.196 -3.893 872 HBC1 HEC 201 HBC1 HEC 105 94.405 -5.499 -5.166 873 HBC2 HEC 201 HBC2 HEC 105 93.554 -3.963 -5.313 874 HBC3 HEC 201 HBC3 HEC 105 93.364 -5.201 -6.555 875 HMD1 HEC 201 HMD1 HEC 105 93.311 -6.498 1.528 876 HMD2 HEC 201 HMD2 HEC 105 93.389 -6.347 -0.223 877 HMD3 HEC 201 HMD3 HEC 105 92.284 -7.509 0.512 878 HAD1 HEC 201 HAD1 HEC 105 91.932 -6.259 3.209 879 HAD2 HEC 201 HAD2 HEC 105 90.419 -5.521 3.699 880 HBD1 HEC 201 HBD1 HEC 105 91.558 -3.335 3.906 881 HBD2 HEC 201 HBD2 HEC 105 93.078 -4.096 3.449 882 H1 HOH 301 H2 HOH 200 81.981 3.454 -1.548 883 H2 HOH 301 H1 HOH 200 80.553 3.008 -1.311 884 H1 HOH 302 H2 HOH 201 86.288 6.612 5.649 885 H2 HOH 302 H1 HOH 201 85.650 5.241 5.574 886 H1 HOH 303 H2 HOH 202 82.371 -7.004 5.394 887 H2 HOH 303 H1 HOH 202 82.699 -5.545 5.156 888 H1 HOH 304 H2 HOH 203 82.265 -10.862 -0.016 889 H2 HOH 304 H1 HOH 203 80.814 -11.151 0.304 Start of MODEL 23 1 H1 GLY 1 H1 GLY 1 72.233 9.924 -6.329 2 H2 GLY 1 H2 GLY 1 73.267 11.227 -5.986 3 H3 GLY 1 H3 GLY 1 73.256 9.860 -4.978 4 HA2 GLY 1 HA2 GLY 1 74.907 10.334 -7.147 5 HA3 GLY 1 HA3 GLY 1 74.779 8.849 -6.202 6 H ASP 2 H ASP 2 75.390 8.208 -8.592 7 HA ASP 2 HA ASP 2 72.873 7.571 -10.025 8 HB2 ASP 2 HB2 ASP 2 75.633 7.979 -11.199 9 HB3 ASP 2 HB1 ASP 2 74.176 7.556 -12.095 10 H VAL 3 H VAL 3 72.645 5.644 -8.840 11 HA VAL 3 HA VAL 3 74.464 3.656 -8.348 12 HB VAL 3 HB VAL 3 72.128 3.563 -7.607 13 HG11 VAL 3 HG11 VAL 3 71.262 4.425 -9.856 14 HG12 VAL 3 HG12 VAL 3 70.322 3.134 -9.105 15 HG13 VAL 3 HG13 VAL 3 71.419 2.766 -10.436 16 HG21 VAL 3 HG21 VAL 3 71.778 1.187 -7.933 17 HG22 VAL 3 HG22 VAL 3 73.514 1.470 -7.815 18 HG23 VAL 3 HG23 VAL 3 72.772 1.196 -9.390 19 H GLU 4 H GLU 4 73.335 4.759 -11.404 20 HA GLU 4 HA GLU 4 73.852 2.361 -12.889 21 HB2 GLU 4 HB2 GLU 4 73.649 5.237 -13.811 22 HB3 GLU 4 HB3 GLU 4 73.659 3.825 -14.867 23 HG2 GLU 4 HG2 GLU 4 71.644 4.166 -12.640 24 HG3 GLU 4 HG3 GLU 4 71.355 4.758 -14.275 25 H LYS 5 H LYS 5 75.591 5.486 -12.769 26 HA LYS 5 HA LYS 5 77.904 4.395 -14.068 27 HB2 LYS 5 HB2 LYS 5 77.278 7.001 -12.694 28 HB3 LYS 5 HB3 LYS 5 78.932 6.616 -13.170 29 HG2 LYS 5 HG2 LYS 5 78.354 6.471 -15.470 30 HG3 LYS 5 HG3 LYS 5 76.629 6.401 -15.114 31 HD2 LYS 5 HD2 LYS 5 78.170 8.809 -14.208 32 HD3 LYS 5 HD3 LYS 5 77.760 8.671 -15.917 33 HE2 LYS 5 HE2 LYS 5 75.435 8.647 -15.478 34 HE3 LYS 5 HE3 LYS 5 75.674 8.276 -13.771 35 HZ1 LYS 5 HZ1 LYS 5 75.093 10.642 -14.302 36 HZ2 LYS 5 HZ2 LYS 5 76.625 10.789 -15.020 37 HZ3 LYS 5 HZ3 LYS 5 76.490 10.433 -13.364 38 H GLY 6 H GLY 6 76.723 4.437 -10.862 39 HA2 GLY 6 HA2 GLY 6 79.230 4.236 -9.493 40 HA3 GLY 6 HA3 GLY 6 77.649 3.801 -8.839 41 H LYS 7 H LYS 7 76.943 2.017 -10.954 42 HA LYS 7 HA LYS 7 78.135 -0.391 -9.993 43 HB2 LYS 7 HB2 LYS 7 75.787 -0.177 -10.880 44 HB3 LYS 7 HB3 LYS 7 76.475 -0.010 -12.495 45 HG2 LYS 7 HG2 LYS 7 77.738 -2.228 -11.923 46 HG3 LYS 7 HG3 LYS 7 76.517 -2.403 -10.665 47 HD2 LYS 7 HD2 LYS 7 75.471 -3.499 -12.431 48 HD3 LYS 7 HD3 LYS 7 74.842 -1.866 -12.645 49 HE2 LYS 7 HE2 LYS 7 75.571 -2.396 -14.806 50 HE3 LYS 7 HE3 LYS 7 76.964 -1.532 -14.155 51 HZ1 LYS 7 HZ1 LYS 7 77.125 -3.935 -15.268 52 HZ2 LYS 7 HZ2 LYS 7 76.885 -4.391 -13.649 53 HZ3 LYS 7 HZ3 LYS 7 78.196 -3.395 -14.069 54 H LYS 8 H LYS 8 78.447 1.537 -12.968 55 HA LYS 8 HA LYS 8 80.132 -0.214 -14.378 56 HB2 LYS 8 HB2 LYS 8 79.082 1.693 -15.460 57 HB3 LYS 8 HB3 LYS 8 79.996 2.808 -14.446 58 HG2 LYS 8 HG2 LYS 8 81.649 0.827 -15.905 59 HG3 LYS 8 HG3 LYS 8 80.803 1.978 -16.936 60 HD2 LYS 8 HD2 LYS 8 82.299 2.975 -14.521 61 HD3 LYS 8 HD3 LYS 8 83.180 2.591 -15.998 62 HE2 LYS 8 HE2 LYS 8 81.738 4.124 -17.273 63 HE3 LYS 8 HE3 LYS 8 80.832 4.501 -15.808 64 HZ1 LYS 8 HZ1 LYS 8 83.716 4.806 -15.645 65 HZ2 LYS 8 HZ2 LYS 8 82.480 5.780 -15.005 66 HZ3 LYS 8 HZ3 LYS 8 82.913 5.919 -16.642 67 H ILE 9 H ILE 9 80.951 2.499 -12.219 68 HA ILE 9 HA ILE 9 83.755 2.190 -12.433 69 HB ILE 9 HB ILE 9 82.125 3.398 -10.190 70 HG12 ILE 9 HG12 ILE 9 83.524 4.825 -12.458 71 HG13 ILE 9 HG13 ILE 9 81.846 4.301 -12.588 72 HG21 ILE 9 HG21 ILE 9 84.241 4.660 -9.760 73 HG22 ILE 9 HG22 ILE 9 85.047 3.656 -10.964 74 HG23 ILE 9 HG23 ILE 9 84.415 2.926 -9.489 75 HD11 ILE 9 HD11 ILE 9 82.047 6.659 -11.798 76 HD12 ILE 9 HD12 ILE 9 82.928 6.080 -10.384 77 HD13 ILE 9 HD13 ILE 9 81.243 5.619 -10.623 78 H PHE 10 H PHE 10 81.336 0.549 -10.566 79 HA PHE 10 HA PHE 10 83.155 -0.480 -8.588 80 HB2 PHE 10 HB2 PHE 10 80.971 -0.395 -7.793 81 HB3 PHE 10 HB1 PHE 10 80.289 -0.984 -9.310 82 HD1 PHE 10 HD2 PHE 10 82.079 -1.949 -6.228 83 HD2 PHE 10 HD1 PHE 10 80.205 -3.345 -9.827 84 HE1 PHE 10 HE2 PHE 10 82.171 -4.276 -5.374 85 HE2 PHE 10 HE1 PHE 10 80.291 -5.671 -8.974 86 HZ PHE 10 HZ PHE 10 81.275 -6.138 -6.747 87 H VAL 11 H VAL 11 81.444 -1.978 -11.345 88 HA VAL 11 HA VAL 11 82.512 -4.535 -11.102 89 HB VAL 11 HB VAL 11 81.986 -4.805 -13.506 90 HG11 VAL 11 HG11 VAL 11 79.631 -4.519 -13.252 91 HG12 VAL 11 HG12 VAL 11 79.847 -3.188 -12.118 92 HG13 VAL 11 HG13 VAL 11 80.254 -4.832 -11.632 93 HG21 VAL 11 HG21 VAL 11 82.727 -2.512 -14.182 94 HG22 VAL 11 HG22 VAL 11 81.310 -1.856 -13.361 95 HG23 VAL 11 HG23 VAL 11 81.108 -2.906 -14.762 96 H GLN 12 H GLN 12 83.920 -1.642 -12.448 97 HA GLN 12 HA GLN 12 86.155 -3.175 -13.566 98 HB2 GLN 12 HB2 GLN 12 86.834 -1.129 -14.618 99 HB3 GLN 12 HB1 GLN 12 85.100 -1.340 -14.864 100 HG2 GLN 12 HG2 GLN 12 84.704 0.142 -12.874 101 HG3 GLN 12 HG1 GLN 12 86.439 0.451 -12.821 102 HE21 GLN 12 HE21 GLN 12 85.808 0.025 -16.033 103 HE22 GLN 12 HE22 GLN 12 85.504 1.630 -16.481 104 H LYS 13 H LYS 13 85.470 -1.118 -10.798 105 HA LYS 13 HA LYS 13 88.356 -0.949 -10.224 106 HB2 LYS 13 HB2 LYS 13 86.011 0.512 -9.013 107 HB3 LYS 13 HB3 LYS 13 87.671 0.671 -8.454 108 HG2 LYS 13 HG2 LYS 13 87.999 1.058 -11.150 109 HG3 LYS 13 HG3 LYS 13 86.402 1.755 -10.901 110 HD2 LYS 13 HD2 LYS 13 87.262 3.223 -9.158 111 HD3 LYS 13 HD3 LYS 13 88.851 2.463 -9.261 112 HE2 LYS 13 HE2 LYS 13 89.056 3.208 -11.607 113 HE3 LYS 13 HE3 LYS 13 87.475 3.982 -11.495 114 HZ1 LYS 13 HZ1 LYS 13 88.537 5.763 -10.748 115 HZ2 LYS 13 HZ2 LYS 13 90.007 4.923 -10.607 116 HZ3 LYS 13 HZ3 LYS 13 88.888 4.902 -9.329 117 H CYS 14 H CYS 14 85.451 -1.490 -8.176 118 HA CYS 14 HA CYS 14 87.120 -2.792 -6.207 119 HB2 CYS 14 HB2 CYS 14 84.152 -2.746 -5.996 120 HB3 CYS 14 HB1 CYS 14 85.367 -2.535 -4.739 121 H ALA 15 H ALA 15 84.685 -3.930 -8.520 122 HA ALA 15 HA ALA 15 84.138 -6.420 -7.491 123 HB1 ALA 15 HB1 ALA 15 83.005 -5.991 -9.464 124 HB2 ALA 15 HB2 ALA 15 84.217 -7.144 -10.021 125 HB3 ALA 15 HB3 ALA 15 84.451 -5.417 -10.291 126 H GLN 16 H GLN 16 87.130 -5.262 -8.833 127 HA GLN 16 HA GLN 16 88.462 -7.561 -9.546 128 HB2 GLN 16 HB2 GLN 16 89.452 -5.087 -8.138 129 HB3 GLN 16 HB1 GLN 16 90.537 -6.369 -8.673 130 HG2 GLN 16 HG2 GLN 16 89.870 -6.084 -10.967 131 HG3 GLN 16 HG1 GLN 16 88.564 -4.993 -10.508 132 HE21 GLN 16 HE21 GLN 16 89.398 -3.155 -11.687 133 HE22 GLN 16 HE22 GLN 16 90.832 -2.371 -11.232 134 H CYS 17 H CYS 17 88.614 -6.107 -6.264 135 HA CYS 17 HA CYS 17 89.013 -8.846 -5.205 136 HB2 CYS 17 HB2 CYS 17 90.172 -6.611 -3.650 137 HB3 CYS 17 HB1 CYS 17 90.823 -8.212 -3.981 138 H HIS 18 H HSD 18 86.439 -7.956 -5.344 139 HA HIS 18 HA HSD 18 85.738 -7.841 -2.531 140 HB2 HIS 18 HB2 HSD 18 85.239 -5.508 -4.361 141 HB3 HIS 18 HB1 HSD 18 84.140 -5.848 -3.029 142 HD1 HIS 18 HD1 HSD 18 85.134 -5.694 -0.589 143 HD2 HIS 18 HD2 HSD 18 87.730 -4.465 -3.600 144 HE1 HIS 18 HE1 HSD 18 87.011 -4.431 0.555 145 H THR 19 H THR 19 83.146 -7.420 -2.517 146 HA THR 19 HA THR 19 81.895 -8.947 -4.688 147 HB THR 19 HB THR 19 81.040 -9.730 -1.961 148 HG1 THR 19 HG1 THR 19 82.877 -11.193 -1.885 149 HG21 THR 19 HG21 THR 19 80.574 -11.745 -2.995 150 HG22 THR 19 HG22 THR 19 81.920 -11.596 -4.124 151 HG23 THR 19 HG23 THR 19 80.450 -10.657 -4.376 152 H VAL 20 H VAL 20 81.544 -7.034 -1.747 153 HA VAL 20 HA VAL 20 79.814 -5.754 -0.935 154 HB VAL 20 HB VAL 20 79.135 -3.992 -2.445 155 HG11 VAL 20 HG11 VAL 20 81.452 -3.410 -3.379 156 HG12 VAL 20 HG12 VAL 20 81.988 -4.949 -2.708 157 HG13 VAL 20 HG13 VAL 20 81.349 -3.697 -1.644 158 HG21 VAL 20 HG21 VAL 20 80.436 -5.568 -4.672 159 HG22 VAL 20 HG22 VAL 20 79.516 -4.074 -4.807 160 HG23 VAL 20 HG23 VAL 20 78.698 -5.575 -4.389 161 H GLU 21 H GLU 21 78.952 -8.432 -1.708 162 HA GLU 21 HA GLU 21 76.112 -7.795 -2.215 163 HB2 GLU 21 HB2 GLU 21 75.835 -9.596 -3.710 164 HB3 GLU 21 HB3 GLU 21 77.324 -8.812 -4.233 165 HG2 GLU 21 HG2 GLU 21 78.515 -10.509 -2.671 166 HG3 GLU 21 HG3 GLU 21 76.990 -11.394 -2.716 167 H LYS 22 H LYS 22 74.982 -8.318 -0.488 168 HA LYS 22 HA LYS 22 75.818 -9.684 1.742 169 HB2 LYS 22 HB2 LYS 22 73.010 -9.575 0.617 170 HB3 LYS 22 HB3 LYS 22 73.429 -10.020 2.272 171 HG2 LYS 22 HG2 LYS 22 74.753 -7.671 2.121 172 HG3 LYS 22 HG3 LYS 22 73.464 -7.341 0.964 173 HD2 LYS 22 HD2 LYS 22 73.096 -8.259 3.830 174 HD3 LYS 22 HD3 LYS 22 72.768 -6.643 3.207 175 HE2 LYS 22 HE2 LYS 22 71.186 -7.850 1.532 176 HE3 LYS 22 HE3 LYS 22 71.288 -9.208 2.651 177 HZ1 LYS 22 HZ1 LYS 22 69.716 -6.912 2.868 178 HZ2 LYS 22 HZ2 LYS 22 70.857 -6.867 4.126 179 HZ3 LYS 22 HZ3 LYS 22 69.830 -8.209 3.954 180 H GLY 23 H GLY 23 75.583 -11.789 2.534 181 HA2 GLY 23 HA2 GLY 23 75.785 -14.079 2.384 182 HA3 GLY 23 HA3 GLY 23 74.387 -13.969 1.318 183 H GLY 24 H GLY 24 77.369 -12.364 0.497 184 HA2 GLY 24 HA2 GLY 24 77.578 -13.936 -1.934 185 HA3 GLY 24 HA3 GLY 24 78.554 -12.536 -1.500 186 H LYS 25 H LYS 25 80.558 -13.345 -1.840 187 HA LYS 25 HA LYS 25 81.520 -15.333 0.079 188 HB2 LYS 25 HB2 LYS 25 82.342 -15.676 -2.786 189 HB3 LYS 25 HB3 LYS 25 82.350 -16.854 -1.474 190 HG2 LYS 25 HG2 LYS 25 79.867 -16.865 -1.492 191 HG3 LYS 25 HG3 LYS 25 79.885 -15.738 -2.848 192 HD2 LYS 25 HD2 LYS 25 81.399 -18.338 -3.017 193 HD3 LYS 25 HD3 LYS 25 79.668 -18.295 -3.344 194 HE2 LYS 25 HE2 LYS 25 80.091 -16.472 -5.022 195 HE3 LYS 25 HE3 LYS 25 81.821 -16.706 -4.769 196 HZ1 LYS 25 HZ1 LYS 25 81.227 -18.006 -6.623 197 HZ2 LYS 25 HZ2 LYS 25 79.865 -18.653 -5.841 198 HZ3 LYS 25 HZ3 LYS 25 81.426 -19.097 -5.341 199 H HIS 26 H HIS 26 82.877 -13.913 1.083 200 HA HIS 26 HA HIS 26 84.328 -11.841 -0.072 201 HB2 HIS 26 HB2 HIS 26 85.954 -12.375 1.935 202 HB3 HIS 26 HB1 HIS 26 84.331 -11.762 2.243 203 HD1 HIS 26 HD1 HIS 26 85.550 -15.292 1.438 204 HD2 HIS 26 HD2 HIS 26 83.380 -13.259 4.360 205 HE1 HIS 26 HE1 HIS 26 84.744 -17.043 3.081 206 HE2 HIS 26 HE2 HIS 26 83.420 -15.819 4.869 207 H LYS 27 H LYS 27 85.931 -11.807 -1.484 208 HA LYS 27 HA LYS 27 87.853 -14.041 -1.561 209 HB2 LYS 27 HB2 LYS 27 87.751 -14.155 -3.974 210 HB3 LYS 27 HB3 LYS 27 86.121 -14.373 -3.336 211 HG2 LYS 27 HG2 LYS 27 85.852 -11.825 -3.646 212 HG3 LYS 27 HG3 LYS 27 87.305 -11.921 -4.642 213 HD2 LYS 27 HD2 LYS 27 86.088 -13.819 -5.904 214 HD3 LYS 27 HD3 LYS 27 84.626 -13.231 -5.109 215 HE2 LYS 27 HE2 LYS 27 84.699 -12.080 -7.189 216 HE3 LYS 27 HE3 LYS 27 85.269 -10.909 -5.999 217 HZ1 LYS 27 HZ1 LYS 27 87.093 -10.724 -7.218 218 HZ2 LYS 27 HZ2 LYS 27 86.641 -12.017 -8.224 219 HZ3 LYS 27 HZ3 LYS 27 87.499 -12.313 -6.787 220 H THR 28 H THR 28 89.888 -13.343 -1.564 221 HA THR 28 HA THR 28 91.647 -11.857 -1.462 222 HB THR 28 HB THR 28 90.525 -10.580 -3.939 223 HG1 THR 28 HG1 THR 28 91.832 -12.626 -4.742 224 HG21 THR 28 HG21 THR 28 93.299 -11.539 -3.182 225 HG22 THR 28 HG22 THR 28 92.727 -9.882 -2.988 226 HG23 THR 28 HG23 THR 28 92.871 -10.582 -4.600 227 H GLY 29 H GLY 29 89.089 -11.046 -0.183 228 HA2 GLY 29 HA2 GLY 29 89.757 -8.586 0.835 229 HA3 GLY 29 HA3 GLY 29 88.761 -8.223 -0.569 230 HA PRO 30 HA PRO 30 86.156 -9.586 3.196 231 HB2 PRO 30 HB2 PRO 30 85.647 -7.231 4.450 232 HB3 PRO 30 HB1 PRO 30 87.081 -8.211 4.818 233 HG2 PRO 30 HG2 PRO 30 86.841 -5.781 3.104 234 HG3 PRO 30 HG1 PRO 30 88.107 -6.221 4.264 235 HD2 PRO 30 HD2 PRO 30 88.370 -6.559 1.547 236 HD3 PRO 30 HD1 PRO 30 89.218 -7.560 2.746 237 H ASN 31 H ASN 31 83.851 -9.055 3.539 238 HA ASN 31 HA ASN 31 82.631 -8.029 1.082 239 HB2 ASN 31 HB2 ASN 31 80.614 -9.072 1.852 240 HB3 ASN 31 HB1 ASN 31 81.928 -10.211 2.134 241 HD21 ASN 31 HD21 ASN 31 82.337 -10.847 4.298 242 HD22 ASN 31 HD22 ASN 31 81.491 -10.227 5.632 243 H LEU 32 H LEU 32 81.856 -6.030 0.941 244 HA LEU 32 HA LEU 32 81.847 -4.284 3.232 245 HB2 LEU 32 HB2 LEU 32 80.708 -3.575 0.541 246 HB3 LEU 32 HB3 LEU 32 81.482 -2.524 1.721 247 HG LEU 32 HG LEU 32 82.792 -4.595 -0.052 248 HD11 LEU 32 HD11 LEU 32 84.031 -1.964 0.166 249 HD12 LEU 32 HD12 LEU 32 82.346 -1.833 -0.331 250 HD13 LEU 32 HD13 LEU 32 83.467 -2.815 -1.270 251 HD21 LEU 32 HD21 LEU 32 84.908 -3.743 1.196 252 HD22 LEU 32 HD22 LEU 32 83.904 -4.946 2.000 253 HD23 LEU 32 HD23 LEU 32 83.784 -3.249 2.458 254 H HIS 33 H HIS 33 79.967 -6.496 3.381 255 HA HIS 33 HA HIS 33 77.318 -5.699 2.809 256 HB2 HIS 33 HB2 HIS 33 78.340 -7.499 5.021 257 HB3 HIS 33 HB1 HIS 33 76.662 -7.383 4.495 258 HD1 HIS 33 HD1 HIS 33 78.004 -10.089 4.219 259 HD2 HIS 33 HD2 HIS 33 78.115 -7.213 1.202 260 HE1 HIS 33 HE1 HIS 33 78.457 -11.333 2.060 261 HE2 HIS 33 HE2 HIS 33 78.528 -9.594 0.211 262 H GLY 34 H GLY 34 75.853 -4.454 3.914 263 HA2 GLY 34 HA2 GLY 34 75.298 -2.608 5.231 264 HA3 GLY 34 HA3 GLY 34 75.619 -3.770 6.516 265 H LEU 35 H LEU 35 78.112 -2.727 4.344 266 HA LEU 35 HA LEU 35 80.085 -2.154 6.107 267 HB2 LEU 35 HB2 LEU 35 80.432 -2.148 3.708 268 HB3 LEU 35 HB3 LEU 35 79.423 -0.718 3.527 269 HG LEU 35 HG LEU 35 81.174 0.332 5.227 270 HD11 LEU 35 HD11 LEU 35 82.962 -1.614 3.782 271 HD12 LEU 35 HD12 LEU 35 82.294 -2.007 5.364 272 HD13 LEU 35 HD13 LEU 35 83.340 -0.600 5.173 273 HD21 LEU 35 HD21 LEU 35 82.029 -0.150 2.366 274 HD22 LEU 35 HD22 LEU 35 82.339 1.271 3.362 275 HD23 LEU 35 HD23 LEU 35 80.706 0.936 2.788 276 H PHE 36 H PHE 36 77.894 0.320 4.789 277 HA PHE 36 HA PHE 36 78.770 2.460 6.332 278 HB2 PHE 36 HB2 PHE 36 75.904 2.047 5.469 279 HB3 PHE 36 HB1 PHE 36 76.753 3.575 5.706 280 HD1 PHE 36 HD2 PHE 36 76.573 0.531 3.572 281 HD2 PHE 36 HD1 PHE 36 78.153 4.505 3.996 282 HE1 PHE 36 HE2 PHE 36 77.351 0.478 1.220 283 HE2 PHE 36 HE1 PHE 36 78.923 4.451 1.650 284 HZ PHE 36 HZ PHE 36 78.523 2.439 0.257 285 H GLY 37 H GLY 37 79.128 1.938 8.502 286 HA2 GLY 37 HA2 GLY 37 77.599 2.592 10.495 287 HA3 GLY 37 HA3 GLY 37 76.783 1.096 10.080 288 H ARG 38 H ARG 38 79.399 -0.216 9.369 289 HA ARG 38 HA ARG 38 80.036 -1.036 12.099 290 HB2 ARG 38 HB2 ARG 38 80.377 -2.173 9.391 291 HB3 ARG 38 HB3 ARG 38 81.655 -2.561 10.542 292 HG2 ARG 38 HG2 ARG 38 79.804 -3.233 12.171 293 HG3 ARG 38 HG3 ARG 38 78.692 -3.120 10.807 294 HD2 ARG 38 HD2 ARG 38 81.160 -4.703 10.332 295 HD3 ARG 38 HD3 ARG 38 80.014 -5.398 11.468 296 HE ARG 38 HE ARG 38 78.311 -5.054 9.606 297 HH11 ARG 38 HH21 ARG 38 81.709 -5.527 8.998 298 HH12 ARG 38 HH22 ARG 38 81.457 -6.230 7.438 299 HH21 ARG 38 HH11 ARG 38 78.006 -5.992 7.576 300 HH22 ARG 38 HH12 ARG 38 79.372 -6.500 6.640 301 H LYS 39 H LYS 39 82.078 -1.045 13.023 302 HA LYS 39 HA LYS 39 83.723 1.211 12.458 303 HB2 LYS 39 HB2 LYS 39 83.811 -1.079 14.376 304 HB3 LYS 39 HB3 LYS 39 85.267 -0.113 14.148 305 HG2 LYS 39 HG2 LYS 39 82.664 1.313 14.590 306 HG3 LYS 39 HG3 LYS 39 83.455 0.563 15.975 307 HD2 LYS 39 HD2 LYS 39 85.559 1.801 15.365 308 HD3 LYS 39 HD3 LYS 39 84.641 2.647 14.118 309 HE2 LYS 39 HE2 LYS 39 83.046 3.409 15.905 310 HE3 LYS 39 HE3 LYS 39 84.129 2.702 17.104 311 HZ1 LYS 39 HZ1 LYS 39 85.644 4.319 16.824 312 HZ2 LYS 39 HZ2 LYS 39 84.312 5.213 16.263 313 HZ3 LYS 39 HZ3 LYS 39 85.365 4.466 15.158 314 H THR 40 H THR 40 86.136 1.002 12.182 315 HA THR 40 HA THR 40 86.730 -0.299 9.757 316 HB THR 40 HB THR 40 89.157 0.260 10.480 317 HG1 THR 40 HG1 THR 40 87.978 2.018 12.263 318 HG21 THR 40 HG21 THR 40 87.938 1.628 8.898 319 HG22 THR 40 HG22 THR 40 88.719 2.692 10.068 320 HG23 THR 40 HG23 THR 40 86.993 2.356 10.197 321 H GLY 41 H GLY 41 87.937 -2.079 9.247 322 HA2 GLY 41 HA2 GLY 41 88.495 -4.301 9.467 323 HA3 GLY 41 HA3 GLY 41 89.491 -3.704 10.791 324 H GLN 42 H GLN 42 85.973 -4.052 10.356 325 HA GLN 42 HA GLN 42 85.895 -5.574 12.899 326 HB2 GLN 42 HB2 GLN 42 84.776 -3.376 13.010 327 HB3 GLN 42 HB1 GLN 42 83.734 -3.849 11.668 328 HG2 GLN 42 HG2 GLN 42 82.697 -5.571 12.946 329 HG3 GLN 42 HG1 GLN 42 83.930 -5.484 14.203 330 HE21 GLN 42 HE21 GLN 42 81.822 -3.024 12.587 331 HE22 GLN 42 HE22 GLN 42 81.274 -2.341 14.041 332 H ALA 43 H ALA 43 85.209 -5.641 9.536 333 HA ALA 43 HA ALA 43 83.090 -7.502 9.494 334 HB1 ALA 43 HB1 ALA 43 84.780 -7.894 7.217 335 HB2 ALA 43 HB2 ALA 43 84.744 -6.173 7.598 336 HB3 ALA 43 HB3 ALA 43 83.239 -7.041 7.304 337 HA PRO 44 HA PRO 44 85.549 -11.031 10.806 338 HB2 PRO 44 HB2 PRO 44 83.562 -12.866 10.902 339 HB3 PRO 44 HB1 PRO 44 83.699 -11.567 12.105 340 HG2 PRO 44 HG2 PRO 44 81.903 -11.767 9.733 341 HG3 PRO 44 HG1 PRO 44 81.553 -11.169 11.365 342 HD2 PRO 44 HD2 PRO 44 82.098 -9.525 9.209 343 HD3 PRO 44 HD1 PRO 44 82.362 -9.061 10.905 344 H GLY 45 H GLY 45 86.901 -11.618 9.128 345 HA2 GLY 45 HA2 GLY 45 86.398 -13.846 7.563 346 HA3 GLY 45 HA3 GLY 45 85.977 -12.463 6.561 347 H PHE 46 H PHE 46 87.625 -10.907 6.058 348 HA PHE 46 HA PHE 46 90.157 -12.104 5.504 349 HB2 PHE 46 HB2 PHE 46 88.993 -10.326 4.118 350 HB3 PHE 46 HB1 PHE 46 89.495 -9.163 5.346 351 HD1 PHE 46 HD2 PHE 46 91.906 -8.748 5.777 352 HD2 PHE 46 HD1 PHE 46 90.582 -11.292 2.581 353 HE1 PHE 46 HE2 PHE 46 94.157 -8.619 4.742 354 HE2 PHE 46 HE1 PHE 46 92.832 -11.164 1.546 355 HZ PHE 46 HZ PHE 46 94.620 -9.828 2.627 356 H THR 47 H THR 47 92.230 -11.382 6.214 357 HA THR 47 HA THR 47 92.315 -10.853 9.056 358 HB THR 47 HB THR 47 94.603 -11.075 7.093 359 HG1 THR 47 HG1 THR 47 94.585 -13.259 8.165 360 HG21 THR 47 HG21 THR 47 95.213 -10.069 9.240 361 HG22 THR 47 HG22 THR 47 95.868 -11.702 9.131 362 HG23 THR 47 HG23 THR 47 94.427 -11.392 10.101 363 H TYR 48 H TYR 48 91.373 -8.726 9.062 364 HA TYR 48 HA TYR 48 92.333 -6.501 7.665 365 HB2 TYR 48 HB2 TYR 48 90.902 -6.871 10.274 366 HB3 TYR 48 HB3 TYR 48 91.474 -5.269 9.823 367 HD1 TYR 48 HD2 TYR 48 90.981 -4.628 7.276 368 HD2 TYR 48 HD1 TYR 48 88.750 -7.466 9.597 369 HE1 TYR 48 HE2 TYR 48 89.037 -4.320 5.776 370 HE2 TYR 48 HE1 TYR 48 86.801 -7.155 8.097 371 HH TYR 48 HH TYR 48 86.346 -4.665 6.179 372 H THR 49 H THR 49 93.769 -4.834 8.232 373 HA THR 49 HA THR 49 96.105 -5.745 9.697 374 HB THR 49 HB THR 49 97.105 -3.625 8.966 375 HG1 THR 49 HG1 THR 49 94.448 -3.131 8.141 376 HG21 THR 49 HG21 THR 49 95.607 -4.516 6.544 377 HG22 THR 49 HG22 THR 49 96.559 -5.730 7.398 378 HG23 THR 49 HG23 THR 49 97.340 -4.280 6.768 379 H ASP 50 H ASP 50 97.023 -4.659 11.508 380 HA ASP 50 HA ASP 50 95.401 -4.141 13.649 381 HB2 ASP 50 HB2 ASP 50 97.805 -4.402 13.893 382 HB3 ASP 50 HB1 ASP 50 98.084 -2.882 13.045 383 H ALA 51 H ALA 51 96.579 -1.791 11.272 384 HA ALA 51 HA ALA 51 95.648 0.557 12.430 385 HB1 ALA 51 HB1 ALA 51 97.039 0.659 10.481 386 HB2 ALA 51 HB2 ALA 51 95.493 1.398 10.061 387 HB3 ALA 51 HB3 ALA 51 95.862 -0.241 9.524 388 H ASN 52 H ASN 52 93.936 -1.565 10.126 389 HA ASN 52 HA ASN 52 91.496 -0.078 10.301 390 HB2 ASN 52 HB2 ASN 52 92.529 -2.044 8.619 391 HB3 ASN 52 HB1 ASN 52 91.218 -2.870 9.454 392 HD21 ASN 52 HD21 ASN 52 90.306 -2.792 7.112 393 HD22 ASN 52 HD22 ASN 52 89.407 -1.414 6.689 394 H LYS 53 H LYS 53 92.932 -2.660 12.103 395 HA LYS 53 HA LYS 53 90.451 -3.444 13.397 396 HB2 LYS 53 HB2 LYS 53 91.717 -5.334 13.395 397 HB3 LYS 53 HB3 LYS 53 93.222 -4.437 13.245 398 HG2 LYS 53 HG2 LYS 53 93.224 -3.949 15.634 399 HG3 LYS 53 HG3 LYS 53 91.639 -4.703 15.817 400 HD2 LYS 53 HD2 LYS 53 92.646 -6.848 14.967 401 HD3 LYS 53 HD3 LYS 53 94.226 -6.064 15.028 402 HE2 LYS 53 HE2 LYS 53 94.006 -5.698 17.422 403 HE3 LYS 53 HE3 LYS 53 92.358 -6.327 17.401 404 HZ1 LYS 53 HZ1 LYS 53 93.517 -8.172 18.031 405 HZ2 LYS 53 HZ2 LYS 53 94.903 -7.761 17.138 406 HZ3 LYS 53 HZ3 LYS 53 93.535 -8.386 16.348 407 H ASN 54 H ASN 54 92.768 -1.027 13.709 408 HA ASN 54 HA ASN 54 92.902 -0.719 16.522 409 HB2 ASN 54 HB2 ASN 54 94.064 1.202 16.066 410 HB3 ASN 54 HB1 ASN 54 94.233 0.402 14.510 411 HD21 ASN 54 HD21 ASN 54 91.535 0.888 13.549 412 HD22 ASN 54 HD22 ASN 54 91.379 2.557 13.288 413 H LYS 55 H LYS 55 90.461 -0.119 14.228 414 HA LYS 55 HA LYS 55 88.335 0.761 14.385 415 HB2 LYS 55 HB2 LYS 55 88.614 0.803 17.377 416 HB3 LYS 55 HB3 LYS 55 87.183 0.474 16.401 417 HG2 LYS 55 HG2 LYS 55 88.601 -1.573 15.533 418 HG3 LYS 55 HG3 LYS 55 89.502 -1.328 17.030 419 HD2 LYS 55 HD2 LYS 55 87.344 -1.429 18.292 420 HD3 LYS 55 HD3 LYS 55 86.521 -1.820 16.781 421 HE2 LYS 55 HE2 LYS 55 88.204 -3.754 16.562 422 HE3 LYS 55 HE3 LYS 55 88.585 -3.457 18.258 423 HZ1 LYS 55 HZ1 LYS 55 86.529 -4.983 17.306 424 HZ2 LYS 55 HZ2 LYS 55 85.771 -3.540 17.788 425 HZ3 LYS 55 HZ3 LYS 55 86.707 -4.424 18.897 426 H GLY 56 H GLY 56 89.775 2.691 13.606 427 HA2 GLY 56 HA2 GLY 56 89.953 4.870 15.531 428 HA3 GLY 56 HA3 GLY 56 90.493 4.908 13.857 429 H ILE 57 H ILE 57 88.140 4.115 12.564 430 HA ILE 57 HA ILE 57 86.116 6.091 13.386 431 HB ILE 57 HB ILE 57 85.960 6.996 11.134 432 HG12 ILE 57 HG12 ILE 57 88.072 6.300 9.645 433 HG13 ILE 57 HG13 ILE 57 87.944 4.811 10.575 434 HG21 ILE 57 HG21 ILE 57 88.829 6.970 12.114 435 HG22 ILE 57 HG22 ILE 57 87.553 8.011 12.744 436 HG23 ILE 57 HG23 ILE 57 88.096 8.191 11.075 437 HD11 ILE 57 HD11 ILE 57 85.837 4.289 9.695 438 HD12 ILE 57 HD12 ILE 57 86.626 5.043 8.316 439 HD13 ILE 57 HD13 ILE 57 85.480 5.965 9.285 440 H THR 58 H THR 58 84.242 5.904 11.609 441 HA THR 58 HA THR 58 83.665 3.017 11.306 442 HB THR 58 HB THR 58 81.770 5.283 11.953 443 HG1 THR 58 HG1 THR 58 82.418 4.730 13.868 444 HG21 THR 58 HG21 THR 58 81.306 2.353 11.376 445 HG22 THR 58 HG22 THR 58 80.633 3.731 10.510 446 HG23 THR 58 HG23 THR 58 80.113 3.385 12.159 447 H TRP 59 H TRP 59 82.828 2.308 9.390 448 HA TRP 59 HA TRP 59 83.245 3.883 7.068 449 HB2 TRP 59 HB2 TRP 59 81.437 1.473 7.163 450 HB3 TRP 59 HB1 TRP 59 82.443 2.048 5.831 451 HD1 TRP 59 HD1 TRP 59 85.161 2.452 7.301 452 HE1 TRP 59 HE1 TRP 59 86.503 0.417 8.144 453 HE3 TRP 59 HE3 TRP 59 81.439 -1.035 7.566 454 HZ2 TRP 59 HZ2 TRP 59 86.045 -2.315 8.868 455 HZ3 TRP 59 HZ3 TRP 59 81.922 -3.340 8.328 456 HH2 TRP 59 HH2 TRP 59 84.221 -3.983 8.980 457 H LYS 60 H LYS 60 81.901 5.117 5.888 458 HA LYS 60 HA LYS 60 79.030 5.081 6.288 459 HB2 LYS 60 HB2 LYS 60 80.709 7.464 7.106 460 HB3 LYS 60 HB3 LYS 60 78.971 7.542 6.826 461 HG2 LYS 60 HG2 LYS 60 78.773 5.617 8.517 462 HG3 LYS 60 HG3 LYS 60 80.445 5.972 8.946 463 HD2 LYS 60 HD2 LYS 60 78.300 8.105 8.928 464 HD3 LYS 60 HD3 LYS 60 78.650 7.131 10.355 465 HE2 LYS 60 HE2 LYS 60 81.056 7.849 10.164 466 HE3 LYS 60 HE3 LYS 60 80.568 8.955 8.881 467 HZ1 LYS 60 HZ1 LYS 60 80.598 10.124 10.952 468 HZ2 LYS 60 HZ2 LYS 60 79.611 8.956 11.691 469 HZ3 LYS 60 HZ3 LYS 60 78.983 9.950 10.465 470 H GLU 61 H GLU 61 78.303 7.369 5.038 471 HA GLU 61 HA GLU 61 78.953 6.810 2.322 472 HB2 GLU 61 HB2 GLU 61 76.771 7.743 3.080 473 HB3 GLU 61 HB3 GLU 61 77.587 9.260 3.457 474 HG2 GLU 61 HG2 GLU 61 78.186 9.609 1.161 475 HG3 GLU 61 HG3 GLU 61 77.689 7.977 0.719 476 H GLU 62 H GLU 62 79.552 9.737 4.292 477 HA GLU 62 HA GLU 62 81.317 10.890 2.376 478 HB2 GLU 62 HB2 GLU 62 81.153 11.518 5.331 479 HB3 GLU 62 HB3 GLU 62 81.752 12.569 4.047 480 HG2 GLU 62 HG2 GLU 62 79.435 12.375 2.993 481 HG3 GLU 62 HG3 GLU 62 78.911 11.644 4.509 482 H THR 63 H THR 63 81.856 9.081 5.389 483 HA THR 63 HA THR 63 84.627 9.327 5.547 484 HB THR 63 HB THR 63 84.596 7.239 6.825 485 HG1 THR 63 HG1 THR 63 82.804 5.964 6.837 486 HG21 THR 63 HG21 THR 63 82.319 9.164 7.252 487 HG22 THR 63 HG22 THR 63 83.864 9.086 8.099 488 HG23 THR 63 HG23 THR 63 82.643 7.845 8.377 489 H LEU 64 H LEU 64 82.614 7.192 3.610 490 HA LEU 64 HA LEU 64 84.720 5.564 2.625 491 HB2 LEU 64 HB2 LEU 64 81.867 5.943 2.067 492 HB3 LEU 64 HB3 LEU 64 82.802 5.542 0.633 493 HG LEU 64 HG LEU 64 82.921 3.983 3.229 494 HD11 LEU 64 HD11 LEU 64 81.812 2.324 1.329 495 HD12 LEU 64 HD12 LEU 64 81.070 3.873 0.936 496 HD13 LEU 64 HD13 LEU 64 80.901 3.201 2.557 497 HD21 LEU 64 HD21 LEU 64 84.441 3.946 0.701 498 HD22 LEU 64 HD22 LEU 64 83.794 2.369 1.153 499 HD23 LEU 64 HD23 LEU 64 84.843 3.243 2.266 500 H MET 65 H MET 65 83.288 8.617 1.544 501 HA MET 65 HA MET 65 84.453 8.789 -0.996 502 HB2 MET 65 HB2 MET 65 83.976 11.039 0.974 503 HB3 MET 65 HB1 MET 65 84.247 11.228 -0.758 504 HG2 MET 65 HG2 MET 65 82.228 9.977 -1.260 505 HG3 MET 65 HG1 MET 65 81.983 9.624 0.447 506 HE1 MET 65 HE1 MET 65 81.774 12.116 -2.423 507 HE2 MET 65 HE2 MET 65 80.333 12.973 -1.879 508 HE3 MET 65 HE3 MET 65 80.301 11.218 -2.031 509 H GLU 66 H GLU 66 85.719 10.165 2.050 510 HA GLU 66 HA GLU 66 88.191 10.997 1.008 511 HB2 GLU 66 HB2 GLU 66 87.470 10.130 3.819 512 HB3 GLU 66 HB3 GLU 66 88.951 10.979 3.377 513 HG2 GLU 66 HG2 GLU 66 86.151 12.029 2.877 514 HG3 GLU 66 HG3 GLU 66 87.179 12.519 4.223 515 H TYR 67 H TYR 67 87.036 7.894 2.068 516 HA TYR 67 HA TYR 67 89.637 6.654 2.207 517 HB2 TYR 67 HB2 TYR 67 87.834 5.773 3.569 518 HB3 TYR 67 HB3 TYR 67 86.836 5.521 2.141 519 HD1 TYR 67 HD1 TYR 67 89.818 4.357 3.982 520 HD2 TYR 67 HD2 TYR 67 87.207 3.658 0.643 521 HE1 TYR 67 HE1 TYR 67 90.801 2.100 3.686 522 HE2 TYR 67 HE2 TYR 67 88.192 1.402 0.346 523 HH TYR 67 HH TYR 67 90.616 0.350 1.017 524 H LEU 68 H LEU 68 87.168 7.150 -0.202 525 HA LEU 68 HA LEU 68 88.166 5.190 -2.048 526 HB2 LEU 68 HB2 LEU 68 86.129 7.397 -2.180 527 HB3 LEU 68 HB3 LEU 68 86.648 6.591 -3.650 528 HG LEU 68 HG LEU 68 85.397 5.272 -1.224 529 HD11 LEU 68 HD11 LEU 68 84.441 5.653 -4.075 530 HD12 LEU 68 HD12 LEU 68 83.815 6.490 -2.656 531 HD13 LEU 68 HD13 LEU 68 83.590 4.747 -2.825 532 HD21 LEU 68 HD21 LEU 68 86.838 4.173 -3.593 533 HD22 LEU 68 HD22 LEU 68 85.346 3.365 -3.122 534 HD23 LEU 68 HD23 LEU 68 86.668 3.510 -1.968 535 H GLU 69 H GLU 69 88.900 8.524 -1.356 536 HA GLU 69 HA GLU 69 90.345 8.816 -3.902 537 HB2 GLU 69 HB2 GLU 69 90.446 11.124 -3.466 538 HB3 GLU 69 HB3 GLU 69 88.851 10.644 -2.894 539 HG2 GLU 69 HG2 GLU 69 89.942 10.342 -0.595 540 HG3 GLU 69 HG3 GLU 69 91.319 11.221 -1.256 541 H ASN 70 H ASN 70 90.926 7.653 -0.867 542 HA ASN 70 HA ASN 70 93.727 7.428 -1.277 543 HB2 ASN 70 HB2 ASN 70 94.518 8.825 0.569 544 HB3 ASN 70 HB1 ASN 70 93.701 9.804 -0.645 545 HD21 ASN 70 HD21 ASN 70 93.375 8.455 2.631 546 HD22 ASN 70 HD22 ASN 70 92.066 9.439 3.083 547 HA PRO 71 HA PRO 71 91.317 4.482 1.557 548 HB2 PRO 71 HB2 PRO 71 93.128 2.692 -0.012 549 HB3 PRO 71 HB1 PRO 71 91.439 2.447 0.466 550 HG2 PRO 71 HG2 PRO 71 92.119 3.120 -2.031 551 HG3 PRO 71 HG1 PRO 71 90.624 3.696 -1.276 552 HD2 PRO 71 HD2 PRO 71 93.118 5.198 -1.879 553 HD3 PRO 71 HD1 PRO 71 91.451 5.793 -1.718 554 H LYS 72 H LYS 72 94.720 4.751 0.631 555 HA LYS 72 HA LYS 72 95.700 3.388 2.970 556 HB2 LYS 72 HB2 LYS 72 96.878 3.415 0.770 557 HB3 LYS 72 HB3 LYS 72 97.207 5.128 1.013 558 HG2 LYS 72 HG2 LYS 72 99.041 4.575 2.206 559 HG3 LYS 72 HG3 LYS 72 97.993 3.841 3.417 560 HD2 LYS 72 HD2 LYS 72 98.900 2.381 0.920 561 HD3 LYS 72 HD3 LYS 72 99.765 2.298 2.453 562 HE2 LYS 72 HE2 LYS 72 96.896 1.452 1.955 563 HE3 LYS 72 HE3 LYS 72 98.262 0.395 2.307 564 HZ1 LYS 72 HZ1 LYS 72 98.473 1.864 4.403 565 HZ2 LYS 72 HZ2 LYS 72 97.297 0.638 4.360 566 HZ3 LYS 72 HZ3 LYS 72 96.852 2.256 4.094 567 H LYS 73 H LYS 73 95.692 6.792 1.888 568 HA LYS 73 HA LYS 73 97.013 7.797 4.172 569 HB2 LYS 73 HB2 LYS 73 96.464 8.903 1.838 570 HB3 LYS 73 HB3 LYS 73 95.035 9.485 2.689 571 HG2 LYS 73 HG2 LYS 73 96.612 10.310 4.517 572 HG3 LYS 73 HG3 LYS 73 97.934 9.974 3.398 573 HD2 LYS 73 HD2 LYS 73 97.515 12.197 2.873 574 HD3 LYS 73 HD3 LYS 73 96.444 11.400 1.723 575 HE2 LYS 73 HE2 LYS 73 94.686 11.547 3.670 576 HE3 LYS 73 HE3 LYS 73 95.752 12.809 4.287 577 HZ1 LYS 73 HZ1 LYS 73 95.464 14.084 2.367 578 HZ2 LYS 73 HZ2 LYS 73 93.904 13.521 2.733 579 HZ3 LYS 73 HZ3 LYS 73 94.802 12.796 1.487 580 H TYR 74 H TYR 74 93.687 6.913 3.619 581 HA TYR 74 HA TYR 74 92.563 8.459 5.735 582 HB2 TYR 74 HB2 TYR 74 91.436 7.163 3.708 583 HB3 TYR 74 HB3 TYR 74 91.320 5.870 4.901 584 HD1 TYR 74 HD1 TYR 74 90.807 9.594 4.743 585 HD2 TYR 74 HD2 TYR 74 89.363 5.809 6.174 586 HE1 TYR 74 HE1 TYR 74 88.860 10.726 5.776 587 HE2 TYR 74 HE2 TYR 74 87.417 6.944 7.207 588 HH TYR 74 HH TYR 74 86.810 10.385 6.695 589 H ILE 75 H ILE 75 93.284 4.966 5.520 590 HA ILE 75 HA ILE 75 93.748 4.977 8.444 591 HB ILE 75 HB ILE 75 92.390 2.783 6.853 592 HG12 ILE 75 HG12 ILE 75 91.142 4.431 9.053 593 HG13 ILE 75 HG13 ILE 75 91.132 5.016 7.391 594 HG21 ILE 75 HG21 ILE 75 93.244 3.082 9.735 595 HG22 ILE 75 HG22 ILE 75 93.534 1.732 8.639 596 HG23 ILE 75 HG23 ILE 75 91.919 2.008 9.288 597 HD11 ILE 75 HD11 ILE 75 89.075 3.712 8.002 598 HD12 ILE 75 HD12 ILE 75 90.099 2.294 8.229 599 HD13 ILE 75 HD13 ILE 75 89.958 3.035 6.635 600 HA PRO 76 HA PRO 76 97.553 3.734 5.958 601 HB2 PRO 76 HB2 PRO 76 98.541 4.547 8.675 602 HB3 PRO 76 HB1 PRO 76 99.263 4.842 7.080 603 HG2 PRO 76 HG2 PRO 76 97.928 6.752 8.373 604 HG3 PRO 76 HG1 PRO 76 97.847 6.589 6.610 605 HD2 PRO 76 HD2 PRO 76 95.766 5.980 8.641 606 HD3 PRO 76 HD1 PRO 76 95.578 6.391 6.923 607 H GLY 77 H GLY 77 98.190 1.660 5.910 608 HA2 GLY 77 HA2 GLY 77 99.222 -0.206 7.163 609 HA3 GLY 77 HA3 GLY 77 97.968 0.030 8.378 610 H THR 78 H THR 78 95.867 0.531 6.429 611 HA THR 78 HA THR 78 94.817 -2.030 6.103 612 HB THR 78 HB THR 78 93.540 0.129 5.994 613 HG1 THR 78 HG1 THR 78 93.288 -1.741 3.881 614 HG21 THR 78 HG21 THR 78 93.548 1.430 4.010 615 HG22 THR 78 HG22 THR 78 94.426 0.191 3.111 616 HG23 THR 78 HG23 THR 78 95.250 1.124 4.360 617 H LYS 79 H LYS 79 94.757 -3.500 4.412 618 HA LYS 79 HA LYS 79 96.910 -3.193 2.441 619 HB2 LYS 79 HB2 LYS 79 95.206 -5.534 3.287 620 HB3 LYS 79 HB3 LYS 79 96.274 -5.604 1.890 621 HG2 LYS 79 HG2 LYS 79 97.408 -4.590 4.469 622 HG3 LYS 79 HG3 LYS 79 97.124 -6.323 4.316 623 HD2 LYS 79 HD2 LYS 79 98.525 -6.454 2.355 624 HD3 LYS 79 HD3 LYS 79 98.672 -4.699 2.281 625 HE2 LYS 79 HE2 LYS 79 99.663 -6.421 4.571 626 HE3 LYS 79 HE3 LYS 79 100.681 -5.762 3.291 627 HZ1 LYS 79 HZ1 LYS 79 99.237 -3.627 4.221 628 HZ2 LYS 79 HZ2 LYS 79 100.870 -3.962 4.550 629 HZ3 LYS 79 HZ3 LYS 79 99.660 -4.483 5.623 630 H MET 80 H MET 80 96.054 -1.700 1.005 631 HA MET 80 HA MET 80 94.487 -2.750 -1.113 632 HB2 MET 80 HB2 MET 80 92.564 -2.425 0.289 633 HB3 MET 80 HB1 MET 80 93.109 -0.815 0.760 634 HG2 MET 80 HG2 MET 80 92.694 0.081 -1.398 635 HG3 MET 80 HG1 MET 80 92.579 -1.519 -2.129 636 HE1 MET 80 HE1 MET 80 90.316 1.427 -1.240 637 HE2 MET 80 HE2 MET 80 89.170 0.536 -2.233 638 HE3 MET 80 HE3 MET 80 90.856 0.649 -2.732 639 H ILE 81 H ILE 81 96.107 -1.967 -2.415 640 HA ILE 81 HA ILE 81 96.208 0.970 -2.710 641 HB ILE 81 HB ILE 81 98.601 -0.878 -2.882 642 HG12 ILE 81 HG12 ILE 81 99.217 0.742 -0.850 643 HG13 ILE 81 HG13 ILE 81 97.465 0.822 -0.681 644 HG21 ILE 81 HG21 ILE 81 99.828 1.307 -2.969 645 HG22 ILE 81 HG22 ILE 81 98.271 2.129 -3.090 646 HG23 ILE 81 HG23 ILE 81 98.792 1.032 -4.369 647 HD11 ILE 81 HD11 ILE 81 97.788 -1.050 0.592 648 HD12 ILE 81 HD12 ILE 81 99.313 -1.448 -0.194 649 HD13 ILE 81 HD13 ILE 81 97.787 -1.864 -0.970 650 H PHE 82 H PHE 82 94.664 0.559 -4.430 651 HA PHE 82 HA PHE 82 95.883 -0.636 -6.850 652 HB2 PHE 82 HB2 PHE 82 93.884 -1.825 -6.290 653 HB3 PHE 82 HB1 PHE 82 92.994 -0.329 -6.014 654 HD1 PHE 82 HD1 PHE 82 95.150 -1.763 -8.744 655 HD2 PHE 82 HD2 PHE 82 91.488 0.230 -7.702 656 HE1 PHE 82 HE1 PHE 82 94.497 -1.711 -11.135 657 HE2 PHE 82 HE2 PHE 82 90.837 0.281 -10.094 658 HZ PHE 82 HZ PHE 82 92.341 -0.689 -11.810 659 H ALA 83 H ALA 83 93.109 1.535 -6.591 660 HA ALA 83 HA ALA 83 94.575 3.822 -7.586 661 HB1 ALA 83 HB1 ALA 83 92.444 2.644 -9.374 662 HB2 ALA 83 HB2 ALA 83 94.165 2.346 -9.613 663 HB3 ALA 83 HB3 ALA 83 93.531 3.987 -9.726 664 H GLY 84 H GLY 84 93.735 5.311 -6.264 665 HA2 GLY 84 HA2 GLY 84 91.156 5.202 -5.106 666 HA3 GLY 84 HA3 GLY 84 92.207 6.614 -5.138 667 H ILE 85 H ILE 85 89.752 7.357 -5.346 668 HA ILE 85 HA ILE 85 88.898 7.390 -8.156 669 HB ILE 85 HB ILE 85 87.598 8.327 -5.596 670 HG12 ILE 85 HG12 ILE 85 87.766 5.813 -6.370 671 HG13 ILE 85 HG13 ILE 85 86.230 6.440 -5.783 672 HG21 ILE 85 HG21 ILE 85 86.775 8.665 -8.478 673 HG22 ILE 85 HG22 ILE 85 86.819 9.879 -7.199 674 HG23 ILE 85 HG23 ILE 85 85.581 8.623 -7.181 675 HD11 ILE 85 HD11 ILE 85 86.317 5.087 -8.040 676 HD12 ILE 85 HD12 ILE 85 86.842 6.628 -8.716 677 HD13 ILE 85 HD13 ILE 85 85.282 6.505 -7.903 678 H LYS 86 H LYS 86 88.352 9.429 -9.193 679 HA LYS 86 HA LYS 86 90.266 11.536 -8.455 680 HB2 LYS 86 HB2 LYS 86 88.847 10.794 -11.001 681 HB3 LYS 86 HB3 LYS 86 89.586 12.383 -10.808 682 HG2 LYS 86 HG2 LYS 86 91.219 9.975 -10.086 683 HG3 LYS 86 HG3 LYS 86 90.974 10.331 -11.796 684 HD2 LYS 86 HD2 LYS 86 91.958 12.501 -11.586 685 HD3 LYS 86 HD3 LYS 86 91.931 12.417 -9.824 686 HE2 LYS 86 HE2 LYS 86 93.589 10.645 -9.824 687 HE3 LYS 86 HE3 LYS 86 93.532 10.540 -11.584 688 HZ1 LYS 86 HZ1 LYS 86 95.217 12.107 -10.116 689 HZ2 LYS 86 HZ2 LYS 86 94.040 13.199 -10.673 690 HZ3 LYS 86 HZ3 LYS 86 94.913 12.250 -11.780 691 H LYS 87 H LYS 87 87.047 11.609 -10.014 692 HA LYS 87 HA LYS 87 86.507 14.192 -8.817 693 HB2 LYS 87 HB2 LYS 87 84.537 12.530 -10.375 694 HB3 LYS 87 HB3 LYS 87 84.622 14.285 -10.228 695 HG2 LYS 87 HG2 LYS 87 86.855 14.196 -11.397 696 HG3 LYS 87 HG3 LYS 87 86.566 12.481 -11.694 697 HD2 LYS 87 HD2 LYS 87 84.449 13.074 -12.868 698 HD3 LYS 87 HD3 LYS 87 84.830 14.781 -12.641 699 HE2 LYS 87 HE2 LYS 87 85.616 14.273 -14.824 700 HE3 LYS 87 HE3 LYS 87 87.061 14.269 -13.812 701 HZ1 LYS 87 HZ1 LYS 87 86.764 12.326 -15.377 702 HZ2 LYS 87 HZ2 LYS 87 85.511 11.808 -14.353 703 HZ3 LYS 87 HZ3 LYS 87 87.097 11.944 -13.759 704 H LYS 88 H LYS 88 84.456 14.638 -7.703 705 HA LYS 88 HA LYS 88 84.124 12.903 -5.457 706 HB2 LYS 88 HB2 LYS 88 83.829 15.428 -5.469 707 HB3 LYS 88 HB3 LYS 88 82.278 15.150 -6.265 708 HG2 LYS 88 HG2 LYS 88 81.738 13.551 -4.340 709 HG3 LYS 88 HG3 LYS 88 83.147 14.223 -3.520 710 HD2 LYS 88 HD2 LYS 88 81.507 15.646 -2.707 711 HD3 LYS 88 HD3 LYS 88 81.986 16.536 -4.152 712 HE2 LYS 88 HE2 LYS 88 80.144 15.410 -5.407 713 HE3 LYS 88 HE3 LYS 88 79.636 14.632 -3.908 714 HZ1 LYS 88 HZ1 LYS 88 78.333 16.475 -3.856 715 HZ2 LYS 88 HZ2 LYS 88 79.442 17.439 -4.711 716 HZ3 LYS 88 HZ3 LYS 88 79.695 17.102 -3.065 717 H THR 89 H THR 89 81.958 13.826 -8.149 718 HA THR 89 HA THR 89 79.778 12.250 -7.503 719 HB THR 89 HB THR 89 79.320 12.157 -9.953 720 HG1 THR 89 HG1 THR 89 81.804 13.520 -10.090 721 HG21 THR 89 HG21 THR 89 78.735 14.126 -8.517 722 HG22 THR 89 HG22 THR 89 79.029 14.555 -10.204 723 HG23 THR 89 HG23 THR 89 80.265 14.869 -8.986 724 H GLU 90 H GLU 90 82.888 11.303 -8.767 725 HA GLU 90 HA GLU 90 82.138 8.702 -9.655 726 HB2 GLU 90 HB2 GLU 90 84.762 9.958 -8.864 727 HB3 GLU 90 HB3 GLU 90 84.650 8.249 -9.273 728 HG2 GLU 90 HG2 GLU 90 83.781 8.773 -11.471 729 HG3 GLU 90 HG3 GLU 90 83.686 10.486 -11.069 730 H ARG 91 H ARG 91 83.188 10.086 -6.594 731 HA ARG 91 HA ARG 91 83.324 7.547 -5.223 732 HB2 ARG 91 HB2 ARG 91 83.177 10.359 -4.098 733 HB3 ARG 91 HB3 ARG 91 83.613 8.902 -3.203 734 HG2 ARG 91 HG2 ARG 91 85.512 8.567 -4.815 735 HG3 ARG 91 HG3 ARG 91 85.131 10.141 -5.513 736 HD2 ARG 91 HD2 ARG 91 85.339 10.259 -2.597 737 HD3 ARG 91 HD3 ARG 91 86.824 9.684 -3.345 738 HE ARG 91 HE ARG 91 86.145 11.863 -4.849 739 HH11 ARG 91 HH21 ARG 91 86.567 11.229 -1.471 740 HH12 ARG 91 HH22 ARG 91 87.085 12.838 -1.094 741 HH21 ARG 91 HH11 ARG 91 86.823 13.975 -4.358 742 HH22 ARG 91 HH12 ARG 91 87.231 14.391 -2.727 743 H GLU 92 H GLU 92 81.046 10.286 -5.305 744 HA GLU 92 HA GLU 92 79.187 9.252 -3.462 745 HB2 GLU 92 HB2 GLU 92 79.279 11.610 -4.446 746 HB3 GLU 92 HB3 GLU 92 78.466 10.941 -5.862 747 HG2 GLU 92 HG2 GLU 92 76.747 11.801 -4.422 748 HG3 GLU 92 HG3 GLU 92 76.690 10.044 -4.293 749 H ASP 93 H ASP 93 79.178 9.119 -7.033 750 HA ASP 93 HA ASP 93 76.914 7.472 -7.295 751 HB2 ASP 93 HB2 ASP 93 79.341 7.780 -9.076 752 HB3 ASP 93 HB1 ASP 93 77.879 6.909 -9.538 753 H LEU 94 H LEU 94 80.377 6.641 -7.208 754 HA LEU 94 HA LEU 94 80.120 3.858 -7.429 755 HB2 LEU 94 HB2 LEU 94 82.293 4.943 -7.624 756 HB3 LEU 94 HB3 LEU 94 82.181 5.511 -5.960 757 HG LEU 94 HG LEU 94 82.265 3.249 -5.109 758 HD11 LEU 94 HD11 LEU 94 81.076 1.933 -6.635 759 HD12 LEU 94 HD12 LEU 94 82.739 1.423 -6.916 760 HD13 LEU 94 HD13 LEU 94 81.968 2.561 -8.020 761 HD21 LEU 94 HD21 LEU 94 84.380 4.540 -6.131 762 HD22 LEU 94 HD22 LEU 94 84.404 3.130 -7.190 763 HD23 LEU 94 HD23 LEU 94 84.519 2.924 -5.445 764 H ILE 95 H ILE 95 79.968 6.007 -4.655 765 HA ILE 95 HA ILE 95 79.808 3.889 -2.741 766 HB ILE 95 HB ILE 95 79.390 6.869 -2.585 767 HG12 ILE 95 HG12 ILE 95 81.400 5.121 -1.155 768 HG13 ILE 95 HG13 ILE 95 81.677 5.675 -2.801 769 HG21 ILE 95 HG21 ILE 95 79.452 6.225 -0.005 770 HG22 ILE 95 HG22 ILE 95 78.766 4.711 -0.594 771 HG23 ILE 95 HG23 ILE 95 77.927 6.233 -0.890 772 HD11 ILE 95 HD11 ILE 95 81.731 7.939 -2.164 773 HD12 ILE 95 HD12 ILE 95 82.619 7.124 -0.880 774 HD13 ILE 95 HD13 ILE 95 80.947 7.616 -0.620 775 H ALA 96 H ALA 96 77.569 5.713 -4.660 776 HA ALA 96 HA ALA 96 75.218 5.170 -3.149 777 HB1 ALA 96 HB1 ALA 96 75.467 5.698 -6.119 778 HB2 ALA 96 HB2 ALA 96 75.396 6.954 -4.883 779 HB3 ALA 96 HB3 ALA 96 74.016 5.884 -5.134 780 H TYR 97 H TYR 97 77.010 3.485 -5.652 781 HA TYR 97 HA TYR 97 75.024 1.442 -6.062 782 HB2 TYR 97 HB2 TYR 97 76.539 1.831 -7.877 783 HB3 TYR 97 HB3 TYR 97 77.943 1.662 -6.823 784 HD1 TYR 97 HD1 TYR 97 75.030 -0.196 -8.232 785 HD2 TYR 97 HD2 TYR 97 78.899 -0.466 -6.388 786 HE1 TYR 97 HE1 TYR 97 75.061 -2.638 -8.657 787 HE2 TYR 97 HE2 TYR 97 78.929 -2.909 -6.814 788 HH TYR 97 HH TYR 97 76.253 -4.506 -8.544 789 H LEU 98 H LEU 98 77.871 1.914 -4.066 790 HA LEU 98 HA LEU 98 78.219 -0.703 -3.108 791 HB2 LEU 98 HB2 LEU 98 78.813 2.023 -1.987 792 HB3 LEU 98 HB3 LEU 98 79.121 0.579 -1.030 793 HG LEU 98 HG LEU 98 80.182 0.881 -3.847 794 HD11 LEU 98 HD11 LEU 98 81.560 2.496 -3.092 795 HD12 LEU 98 HD12 LEU 98 82.313 1.268 -2.080 796 HD13 LEU 98 HD13 LEU 98 81.021 2.277 -1.428 797 HD21 LEU 98 HD21 LEU 98 80.426 -1.355 -3.222 798 HD22 LEU 98 HD22 LEU 98 80.627 -0.966 -1.515 799 HD23 LEU 98 HD23 LEU 98 81.949 -0.682 -2.645 800 H LYS 99 H LYS 99 76.231 1.992 -1.937 801 HA LYS 99 HA LYS 99 75.239 0.761 0.386 802 HB2 LYS 99 HB2 LYS 99 74.062 2.912 -1.379 803 HB3 LYS 99 HB3 LYS 99 73.379 2.436 0.176 804 HG2 LYS 99 HG2 LYS 99 75.398 3.073 1.340 805 HG3 LYS 99 HG3 LYS 99 76.246 3.343 -0.183 806 HD2 LYS 99 HD2 LYS 99 75.537 5.492 0.738 807 HD3 LYS 99 HD3 LYS 99 74.624 5.153 -0.732 808 HE2 LYS 99 HE2 LYS 99 72.662 4.635 0.454 809 HE3 LYS 99 HE3 LYS 99 73.536 4.338 1.957 810 HZ1 LYS 99 HZ1 LYS 99 74.155 6.906 1.388 811 HZ2 LYS 99 HZ2 LYS 99 72.945 6.408 2.472 812 HZ3 LYS 99 HZ3 LYS 99 72.543 6.807 0.871 813 H LYS 100 H LYS 100 73.728 1.062 -2.838 814 HA LYS 100 HA LYS 100 71.501 -0.599 -2.149 815 HB2 LYS 100 HB2 LYS 100 72.554 0.250 -4.856 816 HB3 LYS 100 HB3 LYS 100 70.988 -0.506 -4.561 817 HG2 LYS 100 HG2 LYS 100 70.233 1.360 -3.255 818 HG3 LYS 100 HG3 LYS 100 71.851 2.060 -3.206 819 HD2 LYS 100 HD2 LYS 100 70.741 3.319 -4.870 820 HD3 LYS 100 HD3 LYS 100 71.684 2.146 -5.788 821 HE2 LYS 100 HE2 LYS 100 69.332 2.344 -6.606 822 HE3 LYS 100 HE3 LYS 100 69.723 0.717 -6.053 823 HZ1 LYS 100 HZ1 LYS 100 68.672 2.531 -4.044 824 HZ2 LYS 100 HZ2 LYS 100 68.348 0.883 -4.299 825 HZ3 LYS 100 HZ3 LYS 100 67.579 2.060 -5.252 826 H ALA 101 H ALA 101 74.708 -1.222 -3.289 827 HA ALA 101 HA ALA 101 74.071 -3.880 -4.293 828 HB1 ALA 101 HB1 ALA 101 76.731 -2.491 -3.893 829 HB2 ALA 101 HB2 ALA 101 75.818 -2.569 -5.401 830 HB3 ALA 101 HB3 ALA 101 76.495 -4.040 -4.704 831 H THR 102 H THR 102 75.226 -2.386 -1.375 832 HA THR 102 HA THR 102 76.099 -4.932 -0.229 833 HB THR 102 HB THR 102 76.627 -3.488 1.764 834 HG1 THR 102 HG1 THR 102 76.530 -1.235 1.361 835 HG21 THR 102 HG21 THR 102 78.439 -3.903 0.310 836 HG22 THR 102 HG22 THR 102 78.417 -2.147 0.473 837 HG23 THR 102 HG23 THR 102 77.751 -2.908 -0.972 838 H ASN 103 H ASN 103 73.254 -3.333 -0.691 839 HA ASN 103 HA ASN 103 72.033 -4.090 1.867 840 HB2 ASN 103 HB2 ASN 103 71.141 -2.447 -0.493 841 HB3 ASN 103 HB1 ASN 103 70.012 -2.964 0.753 842 HD21 ASN 103 HD21 ASN 103 73.354 -2.269 1.596 843 HD22 ASN 103 HD22 ASN 103 73.030 -0.828 2.432 844 H GLU 104 H GLU 104 72.316 -5.143 -1.404 845 HA GLU 104 HA GLU 104 70.817 -7.550 -0.817 846 HB2 GLU 104 HB2 GLU 104 69.363 -7.242 -2.877 847 HB3 GLU 104 HB3 GLU 104 68.942 -6.237 -1.490 848 HG2 GLU 104 HG2 GLU 104 70.105 -4.334 -2.448 849 HG3 GLU 104 HG3 GLU 104 70.710 -5.323 -3.775 850 HHA HEC 201 HA HEC 105 89.410 -3.358 3.204 851 HHB HEC 201 HB HEC 105 85.552 -0.003 -0.504 852 HHC HEC 201 HC HEC 105 88.930 -1.750 -5.567 853 HHD HEC 201 HD HEC 105 92.334 -5.643 -1.915 854 HMA1 HEC 201 HMA1 HEC 105 85.456 0.821 1.671 855 HMA2 HEC 201 HMA2 HEC 105 85.502 0.078 3.267 856 HMA3 HEC 201 HMA3 HEC 105 84.505 -0.626 1.997 857 HAA1 HEC 201 HAA1 HEC 105 87.007 -0.788 4.442 858 HAA2 HEC 201 HAA2 HEC 105 88.414 -1.829 4.423 859 HBA1 HEC 201 HBA1 HEC 105 87.168 -3.760 4.663 860 HBA2 HEC 201 HBA2 HEC 105 85.728 -3.054 3.938 861 HMB1 HEC 201 HMB1 HEC 105 84.128 0.021 -3.026 862 HMB2 HEC 201 HMB2 HEC 105 84.932 1.250 -3.994 863 HMB3 HEC 201 HMB3 HEC 105 85.001 1.332 -2.237 864 HAB HEC 201 HAB HEC 105 87.371 -0.629 -6.256 865 HBB1 HEC 201 HBB1 HEC 105 86.835 1.956 -4.881 866 HBB2 HEC 201 HBB2 HEC 105 87.939 1.593 -6.204 867 HBB3 HEC 201 HBB3 HEC 105 86.219 1.797 -6.526 868 HMC1 HEC 201 HMC1 HEC 105 89.930 -3.272 -6.873 869 HMC2 HEC 201 HMC2 HEC 105 91.354 -4.304 -6.879 870 HMC3 HEC 201 HMC3 HEC 105 91.526 -2.568 -6.633 871 HAC HEC 201 HAC HEC 105 92.765 -6.116 -3.833 872 HBC1 HEC 201 HBC1 HEC 105 94.489 -5.506 -5.173 873 HBC2 HEC 201 HBC2 HEC 105 93.676 -3.949 -5.326 874 HBC3 HEC 201 HBC3 HEC 105 93.418 -5.202 -6.539 875 HMD1 HEC 201 HMD1 HEC 105 92.438 -7.328 0.398 876 HMD2 HEC 201 HMD2 HEC 105 93.309 -6.439 1.646 877 HMD3 HEC 201 HMD3 HEC 105 93.601 -6.083 -0.055 878 HAD1 HEC 201 HAD1 HEC 105 91.680 -6.288 3.253 879 HAD2 HEC 201 HAD2 HEC 105 90.492 -5.120 3.787 880 HBD1 HEC 201 HBD1 HEC 105 92.931 -3.722 3.161 881 HBD2 HEC 201 HBD2 HEC 105 93.299 -5.079 4.220 882 H1 HOH 301 H2 HOH 200 83.881 3.460 -1.148 883 H2 HOH 301 H1 HOH 200 82.655 3.794 -0.323 884 H1 HOH 302 H2 HOH 201 85.574 6.035 5.469 885 H2 HOH 302 H1 HOH 201 86.887 5.463 5.958 886 H1 HOH 303 H2 HOH 202 82.245 -5.443 5.210 887 H2 HOH 303 H1 HOH 202 83.663 -5.196 4.748 888 H1 HOH 304 H2 HOH 203 82.411 -10.839 -0.022 889 H2 HOH 304 H1 HOH 203 83.449 -10.074 0.772 Start of MODEL 24 1 H1 GLY 1 H1 GLY 1 75.356 11.971 -7.598 2 H2 GLY 1 H2 GLY 1 73.957 12.154 -6.651 3 H3 GLY 1 H3 GLY 1 73.824 11.825 -8.312 4 HA2 GLY 1 HA2 GLY 1 75.404 9.841 -7.047 5 HA3 GLY 1 HA3 GLY 1 73.836 9.993 -6.254 6 H ASP 2 H ASP 2 75.219 8.099 -8.350 7 HA ASP 2 HA ASP 2 72.760 7.625 -9.863 8 HB2 ASP 2 HB2 ASP 2 75.437 8.165 -11.157 9 HB3 ASP 2 HB1 ASP 2 74.082 7.402 -11.986 10 H VAL 3 H VAL 3 72.616 5.755 -8.585 11 HA VAL 3 HA VAL 3 74.509 3.835 -8.073 12 HB VAL 3 HB VAL 3 72.312 3.631 -7.130 13 HG11 VAL 3 HG11 VAL 3 70.975 4.671 -8.843 14 HG12 VAL 3 HG12 VAL 3 70.372 3.026 -8.644 15 HG13 VAL 3 HG13 VAL 3 71.407 3.425 -10.014 16 HG21 VAL 3 HG21 VAL 3 73.634 1.515 -7.812 17 HG22 VAL 3 HG22 VAL 3 72.459 1.358 -9.116 18 HG23 VAL 3 HG23 VAL 3 71.924 1.311 -7.437 19 H GLU 4 H GLU 4 73.193 4.742 -11.119 20 HA GLU 4 HA GLU 4 73.680 2.266 -12.490 21 HB2 GLU 4 HB2 GLU 4 73.255 5.091 -13.480 22 HB3 GLU 4 HB3 GLU 4 73.429 3.696 -14.546 23 HG2 GLU 4 HG2 GLU 4 71.474 2.643 -13.606 24 HG3 GLU 4 HG3 GLU 4 71.360 3.867 -12.343 25 H LYS 5 H LYS 5 75.336 5.434 -12.663 26 HA LYS 5 HA LYS 5 77.592 4.342 -14.046 27 HB2 LYS 5 HB2 LYS 5 76.923 6.981 -12.784 28 HB3 LYS 5 HB3 LYS 5 78.604 6.636 -13.197 29 HG2 LYS 5 HG2 LYS 5 78.145 6.461 -15.490 30 HG3 LYS 5 HG3 LYS 5 76.431 6.147 -15.225 31 HD2 LYS 5 HD2 LYS 5 77.552 8.778 -14.318 32 HD3 LYS 5 HD3 LYS 5 77.263 8.537 -16.041 33 HE2 LYS 5 HE2 LYS 5 74.945 8.173 -15.720 34 HE3 LYS 5 HE3 LYS 5 75.143 7.897 -13.990 35 HZ1 LYS 5 HZ1 LYS 5 74.258 10.082 -14.360 36 HZ2 LYS 5 HZ2 LYS 5 75.527 10.469 -15.423 37 HZ3 LYS 5 HZ3 LYS 5 75.842 10.225 -13.771 38 H GLY 6 H GLY 6 76.612 4.491 -10.770 39 HA2 GLY 6 HA2 GLY 6 79.202 4.351 -9.554 40 HA3 GLY 6 HA3 GLY 6 77.668 3.923 -8.791 41 H LYS 7 H LYS 7 76.844 2.075 -10.802 42 HA LYS 7 HA LYS 7 78.075 -0.306 -9.849 43 HB2 LYS 7 HB2 LYS 7 75.704 -0.097 -10.689 44 HB3 LYS 7 HB3 LYS 7 76.360 0.011 -12.322 45 HG2 LYS 7 HG2 LYS 7 77.604 -2.187 -11.758 46 HG3 LYS 7 HG3 LYS 7 76.489 -2.312 -10.400 47 HD2 LYS 7 HD2 LYS 7 75.197 -3.414 -11.947 48 HD3 LYS 7 HD3 LYS 7 74.715 -1.772 -12.374 49 HE2 LYS 7 HE2 LYS 7 76.843 -3.462 -13.717 50 HE3 LYS 7 HE3 LYS 7 75.322 -2.907 -14.416 51 HZ1 LYS 7 HZ1 LYS 7 77.221 -1.555 -15.112 52 HZ2 LYS 7 HZ2 LYS 7 77.520 -1.137 -13.494 53 HZ3 LYS 7 HZ3 LYS 7 76.081 -0.643 -14.249 54 H LYS 8 H LYS 8 78.306 1.559 -12.868 55 HA LYS 8 HA LYS 8 79.965 -0.206 -14.295 56 HB2 LYS 8 HB2 LYS 8 78.889 1.659 -15.397 57 HB3 LYS 8 HB3 LYS 8 79.766 2.810 -14.393 58 HG2 LYS 8 HG2 LYS 8 81.492 0.881 -15.832 59 HG3 LYS 8 HG3 LYS 8 80.597 1.978 -16.880 60 HD2 LYS 8 HD2 LYS 8 82.063 3.064 -14.483 61 HD3 LYS 8 HD3 LYS 8 82.942 2.715 -15.972 62 HE2 LYS 8 HE2 LYS 8 80.524 4.532 -15.733 63 HE3 LYS 8 HE3 LYS 8 82.193 5.059 -15.944 64 HZ1 LYS 8 HZ1 LYS 8 81.607 5.015 -18.102 65 HZ2 LYS 8 HZ2 LYS 8 80.358 3.888 -17.869 66 HZ3 LYS 8 HZ3 LYS 8 81.972 3.365 -17.968 67 H ILE 9 H ILE 9 80.801 2.528 -12.178 68 HA ILE 9 HA ILE 9 83.611 2.263 -12.445 69 HB ILE 9 HB ILE 9 81.958 3.490 -10.230 70 HG12 ILE 9 HG12 ILE 9 83.397 4.832 -12.535 71 HG13 ILE 9 HG13 ILE 9 81.689 4.396 -12.594 72 HG21 ILE 9 HG21 ILE 9 84.096 4.788 -9.835 73 HG22 ILE 9 HG22 ILE 9 84.905 3.649 -10.911 74 HG23 ILE 9 HG23 ILE 9 84.184 3.080 -9.407 75 HD11 ILE 9 HD11 ILE 9 81.344 5.739 -10.494 76 HD12 ILE 9 HD12 ILE 9 81.843 6.706 -11.881 77 HD13 ILE 9 HD13 ILE 9 83.014 6.287 -10.632 78 H PHE 10 H PHE 10 81.259 0.563 -10.574 79 HA PHE 10 HA PHE 10 83.139 -0.409 -8.603 80 HB2 PHE 10 HB2 PHE 10 81.008 -0.314 -7.701 81 HB3 PHE 10 HB1 PHE 10 80.238 -0.847 -9.194 82 HD1 PHE 10 HD1 PHE 10 80.209 -3.219 -9.827 83 HD2 PHE 10 HD2 PHE 10 81.961 -1.915 -6.134 84 HE1 PHE 10 HE1 PHE 10 80.248 -5.563 -9.023 85 HE2 PHE 10 HE2 PHE 10 82.003 -4.259 -5.326 86 HZ PHE 10 HZ PHE 10 81.147 -6.086 -6.776 87 H VAL 11 H VAL 11 81.312 -1.928 -11.279 88 HA VAL 11 HA VAL 11 82.349 -4.495 -11.057 89 HB VAL 11 HB VAL 11 81.807 -4.746 -13.468 90 HG11 VAL 11 HG11 VAL 11 80.096 -4.774 -11.561 91 HG12 VAL 11 HG12 VAL 11 79.463 -4.484 -13.181 92 HG13 VAL 11 HG13 VAL 11 79.674 -3.138 -12.064 93 HG21 VAL 11 HG21 VAL 11 81.189 -1.789 -13.266 94 HG22 VAL 11 HG22 VAL 11 80.881 -2.811 -14.668 95 HG23 VAL 11 HG23 VAL 11 82.538 -2.480 -14.164 96 H GLN 12 H GLN 12 83.766 -1.635 -12.487 97 HA GLN 12 HA GLN 12 85.978 -3.221 -13.585 98 HB2 GLN 12 HB2 GLN 12 86.643 -1.217 -14.726 99 HB3 GLN 12 HB1 GLN 12 84.904 -1.429 -14.933 100 HG2 GLN 12 HG2 GLN 12 84.579 0.111 -12.945 101 HG3 GLN 12 HG1 GLN 12 86.309 0.455 -13.026 102 HE21 GLN 12 HE21 GLN 12 85.665 -0.084 -16.158 103 HE22 GLN 12 HE22 GLN 12 85.214 1.470 -16.661 104 H LYS 13 H LYS 13 85.324 -1.090 -10.883 105 HA LYS 13 HA LYS 13 88.213 -0.853 -10.360 106 HB2 LYS 13 HB2 LYS 13 86.570 1.134 -10.351 107 HB3 LYS 13 HB3 LYS 13 86.082 0.533 -8.766 108 HG2 LYS 13 HG2 LYS 13 87.801 1.988 -8.171 109 HG3 LYS 13 HG3 LYS 13 88.690 0.474 -8.325 110 HD2 LYS 13 HD2 LYS 13 90.024 1.864 -9.620 111 HD3 LYS 13 HD3 LYS 13 88.924 1.261 -10.857 112 HE2 LYS 13 HE2 LYS 13 89.074 3.672 -11.080 113 HE3 LYS 13 HE3 LYS 13 87.473 3.272 -10.461 114 HZ1 LYS 13 HZ1 LYS 13 88.750 5.129 -9.313 115 HZ2 LYS 13 HZ2 LYS 13 89.716 3.901 -8.644 116 HZ3 LYS 13 HZ3 LYS 13 88.049 3.944 -8.324 117 H CYS 14 H CYS 14 85.346 -1.377 -8.243 118 HA CYS 14 HA CYS 14 87.071 -2.603 -6.269 119 HB2 CYS 14 HB2 CYS 14 84.095 -2.530 -6.035 120 HB3 CYS 14 HB1 CYS 14 85.309 -2.394 -4.770 121 H ALA 15 H ALA 15 84.589 -3.811 -8.485 122 HA ALA 15 HA ALA 15 84.072 -6.280 -7.396 123 HB1 ALA 15 HB1 ALA 15 84.310 -5.333 -10.224 124 HB2 ALA 15 HB2 ALA 15 82.879 -5.860 -9.339 125 HB3 ALA 15 HB3 ALA 15 84.052 -7.048 -9.905 126 H GLN 16 H GLN 16 87.028 -5.164 -8.843 127 HA GLN 16 HA GLN 16 88.338 -7.427 -9.623 128 HB2 GLN 16 HB2 GLN 16 89.336 -5.011 -8.134 129 HB3 GLN 16 HB1 GLN 16 90.429 -6.288 -8.661 130 HG2 GLN 16 HG2 GLN 16 89.905 -5.934 -10.953 131 HG3 GLN 16 HG1 GLN 16 88.489 -4.960 -10.559 132 HE21 GLN 16 HE21 GLN 16 88.960 -2.844 -11.174 133 HE22 GLN 16 HE22 GLN 16 90.413 -2.036 -10.832 134 H CYS 17 H CYS 17 88.627 -6.145 -6.279 135 HA CYS 17 HA CYS 17 89.007 -8.943 -5.367 136 HB2 CYS 17 HB2 CYS 17 90.182 -6.823 -3.684 137 HB3 CYS 17 HB1 CYS 17 90.857 -8.367 -4.188 138 H HIS 18 H HSD 18 86.434 -8.076 -5.414 139 HA HIS 18 HA HSD 18 85.788 -8.069 -2.587 140 HB2 HIS 18 HB2 HSD 18 85.204 -5.696 -4.342 141 HB3 HIS 18 HB1 HSD 18 84.178 -6.079 -2.960 142 HD1 HIS 18 HD1 HSD 18 86.598 -7.146 -1.143 143 HD2 HIS 18 HD2 HSD 18 86.434 -3.480 -3.114 144 HE1 HIS 18 HE1 HSD 18 88.190 -5.599 0.082 145 H THR 19 H THR 19 83.211 -7.705 -2.476 146 HA THR 19 HA THR 19 81.929 -9.211 -4.655 147 HB THR 19 HB THR 19 81.194 -9.944 -1.860 148 HG1 THR 19 HG1 THR 19 82.965 -11.569 -2.117 149 HG21 THR 19 HG21 THR 19 80.569 -11.954 -2.850 150 HG22 THR 19 HG22 THR 19 81.745 -11.793 -4.153 151 HG23 THR 19 HG23 THR 19 80.280 -10.811 -4.161 152 H VAL 20 H VAL 20 81.610 -7.261 -1.736 153 HA VAL 20 HA VAL 20 79.892 -5.968 -0.921 154 HB VAL 20 HB VAL 20 79.201 -4.225 -2.442 155 HG11 VAL 20 HG11 VAL 20 82.023 -5.093 -3.136 156 HG12 VAL 20 HG12 VAL 20 81.578 -4.299 -1.627 157 HG13 VAL 20 HG13 VAL 20 81.385 -3.450 -3.159 158 HG21 VAL 20 HG21 VAL 20 78.718 -5.863 -4.344 159 HG22 VAL 20 HG22 VAL 20 80.446 -5.829 -4.676 160 HG23 VAL 20 HG23 VAL 20 79.497 -4.353 -4.808 161 H GLU 21 H GLU 21 79.045 -8.674 -1.723 162 HA GLU 21 HA GLU 21 76.188 -8.056 -2.190 163 HB2 GLU 21 HB2 GLU 21 75.915 -9.894 -3.623 164 HB3 GLU 21 HB3 GLU 21 77.443 -9.191 -4.147 165 HG2 GLU 21 HG2 GLU 21 78.580 -10.828 -2.548 166 HG3 GLU 21 HG3 GLU 21 77.018 -11.637 -2.428 167 H LYS 22 H LYS 22 74.958 -8.628 -0.548 168 HA LYS 22 HA LYS 22 75.829 -9.803 1.800 169 HB2 LYS 22 HB2 LYS 22 73.626 -8.560 1.303 170 HB3 LYS 22 HB3 LYS 22 73.004 -10.131 0.802 171 HG2 LYS 22 HG2 LYS 22 72.432 -10.200 3.043 172 HG3 LYS 22 HG3 LYS 22 74.051 -10.892 3.138 173 HD2 LYS 22 HD2 LYS 22 74.856 -8.445 3.439 174 HD3 LYS 22 HD3 LYS 22 73.167 -8.085 3.799 175 HE2 LYS 22 HE2 LYS 22 74.242 -8.536 5.901 176 HE3 LYS 22 HE3 LYS 22 73.248 -9.943 5.525 177 HZ1 LYS 22 HZ1 LYS 22 76.061 -9.849 4.663 178 HZ2 LYS 22 HZ2 LYS 22 75.077 -11.200 4.970 179 HZ3 LYS 22 HZ3 LYS 22 75.682 -10.276 6.261 180 H GLY 23 H GLY 23 75.887 -11.848 2.633 181 HA2 GLY 23 HA2 GLY 23 76.130 -14.135 2.629 182 HA3 GLY 23 HA3 GLY 23 74.676 -14.148 1.639 183 H GLY 24 H GLY 24 77.653 -12.575 0.638 184 HA2 GLY 24 HA2 GLY 24 77.759 -14.295 -1.717 185 HA3 GLY 24 HA3 GLY 24 78.705 -12.837 -1.441 186 H LYS 25 H LYS 25 80.740 -13.560 -1.755 187 HA LYS 25 HA LYS 25 81.840 -15.359 0.259 188 HB2 LYS 25 HB2 LYS 25 83.093 -16.557 -1.692 189 HB3 LYS 25 HB3 LYS 25 81.445 -17.049 -1.305 190 HG2 LYS 25 HG2 LYS 25 80.535 -15.817 -3.129 191 HG3 LYS 25 HG3 LYS 25 82.041 -14.935 -3.380 192 HD2 LYS 25 HD2 LYS 25 83.154 -17.102 -3.965 193 HD3 LYS 25 HD3 LYS 25 81.583 -17.893 -3.853 194 HE2 LYS 25 HE2 LYS 25 80.700 -16.570 -5.660 195 HE3 LYS 25 HE3 LYS 25 82.126 -15.533 -5.670 196 HZ1 LYS 25 HZ1 LYS 25 83.282 -17.008 -6.856 197 HZ2 LYS 25 HZ2 LYS 25 81.779 -17.708 -7.229 198 HZ3 LYS 25 HZ3 LYS 25 82.719 -18.335 -5.960 199 H HIS 26 H HIS 26 83.187 -13.839 1.072 200 HA HIS 26 HA HIS 26 84.535 -11.844 -0.346 201 HB2 HIS 26 HB2 HIS 26 86.198 -12.105 1.699 202 HB3 HIS 26 HB1 HIS 26 84.569 -11.474 1.936 203 HD1 HIS 26 HD1 HIS 26 82.794 -13.093 2.983 204 HD2 HIS 26 HD2 HIS 26 86.652 -14.664 2.822 205 HE1 HIS 26 HE1 HIS 26 82.795 -15.143 4.470 206 HE2 HIS 26 HE2 HIS 26 85.140 -16.111 4.383 207 H LYS 27 H LYS 27 86.158 -11.902 -1.738 208 HA LYS 27 HA LYS 27 88.106 -14.117 -1.610 209 HB2 LYS 27 HB2 LYS 27 88.100 -14.029 -4.166 210 HB3 LYS 27 HB3 LYS 27 86.705 -14.793 -3.404 211 HG2 LYS 27 HG2 LYS 27 85.391 -12.762 -3.656 212 HG3 LYS 27 HG3 LYS 27 86.793 -11.894 -4.284 213 HD2 LYS 27 HD2 LYS 27 86.835 -13.200 -6.278 214 HD3 LYS 27 HD3 LYS 27 85.713 -14.387 -5.611 215 HE2 LYS 27 HE2 LYS 27 84.607 -12.831 -7.216 216 HE3 LYS 27 HE3 LYS 27 83.914 -12.737 -5.598 217 HZ1 LYS 27 HZ1 LYS 27 86.107 -10.938 -6.402 218 HZ2 LYS 27 HZ2 LYS 27 84.948 -10.729 -5.178 219 HZ3 LYS 27 HZ3 LYS 27 84.503 -10.572 -6.810 220 H THR 28 H THR 28 90.190 -13.494 -1.883 221 HA THR 28 HA THR 28 91.956 -12.006 -1.837 222 HB THR 28 HB THR 28 90.648 -10.682 -4.200 223 HG1 THR 28 HG1 THR 28 90.447 -13.033 -4.248 224 HG21 THR 28 HG21 THR 28 92.885 -10.397 -4.954 225 HG22 THR 28 HG22 THR 28 93.503 -11.587 -3.809 226 HG23 THR 28 HG23 THR 28 92.933 -10.022 -3.232 227 H GLY 29 H GLY 29 89.491 -11.271 -0.380 228 HA2 GLY 29 HA2 GLY 29 90.133 -8.942 0.820 229 HA3 GLY 29 HA3 GLY 29 89.245 -8.393 -0.598 230 HA PRO 30 HA PRO 30 86.381 -10.062 2.876 231 HB2 PRO 30 HB2 PRO 30 85.921 -7.828 4.376 232 HB3 PRO 30 HB1 PRO 30 87.234 -8.969 4.726 233 HG2 PRO 30 HG2 PRO 30 87.337 -6.335 3.331 234 HG3 PRO 30 HG1 PRO 30 88.466 -7.036 4.505 235 HD2 PRO 30 HD2 PRO 30 88.934 -7.042 1.804 236 HD3 PRO 30 HD1 PRO 30 89.571 -8.284 2.905 237 H ASN 31 H ASN 31 84.102 -9.210 3.342 238 HA ASN 31 HA ASN 31 83.037 -8.027 0.882 239 HB2 ASN 31 HB2 ASN 31 80.936 -8.889 1.552 240 HB3 ASN 31 HB1 ASN 31 82.097 -10.133 2.013 241 HD21 ASN 31 HD21 ASN 31 81.902 -10.852 4.135 242 HD22 ASN 31 HD22 ASN 31 81.179 -9.975 5.396 243 H LEU 32 H LEU 32 81.357 -6.346 1.054 244 HA LEU 32 HA LEU 32 81.930 -4.476 3.279 245 HB2 LEU 32 HB2 LEU 32 80.888 -3.745 0.536 246 HB3 LEU 32 HB3 LEU 32 81.458 -2.650 1.790 247 HG LEU 32 HG LEU 32 83.092 -4.591 0.137 248 HD11 LEU 32 HD11 LEU 32 83.022 -1.588 0.518 249 HD12 LEU 32 HD12 LEU 32 82.809 -2.499 -0.976 250 HD13 LEU 32 HD13 LEU 32 84.397 -2.408 -0.220 251 HD21 LEU 32 HD21 LEU 32 85.010 -3.534 1.570 252 HD22 LEU 32 HD22 LEU 32 84.087 -4.867 2.252 253 HD23 LEU 32 HD23 LEU 32 83.736 -3.215 2.739 254 H HIS 33 H HIS 33 80.005 -6.551 3.530 255 HA HIS 33 HA HIS 33 77.369 -5.697 2.931 256 HB2 HIS 33 HB2 HIS 33 78.259 -7.480 5.210 257 HB3 HIS 33 HB1 HIS 33 76.650 -7.407 4.491 258 HD1 HIS 33 HD1 HIS 33 78.764 -9.898 4.524 259 HD2 HIS 33 HD2 HIS 33 77.773 -7.461 1.290 260 HE1 HIS 33 HE1 HIS 33 79.304 -11.225 2.435 261 HE2 HIS 33 HE2 HIS 33 78.704 -9.754 0.454 262 H GLY 34 H GLY 34 75.848 -4.591 4.156 263 HA2 GLY 34 HA2 GLY 34 75.301 -2.720 5.453 264 HA3 GLY 34 HA3 GLY 34 75.696 -3.864 6.733 265 H LEU 35 H LEU 35 78.037 -2.673 4.448 266 HA LEU 35 HA LEU 35 80.044 -2.047 6.196 267 HB2 LEU 35 HB2 LEU 35 80.363 -2.120 3.789 268 HB3 LEU 35 HB3 LEU 35 79.334 -0.707 3.579 269 HG LEU 35 HG LEU 35 81.093 0.389 5.260 270 HD11 LEU 35 HD11 LEU 35 83.264 -0.508 5.172 271 HD12 LEU 35 HD12 LEU 35 82.887 -1.513 3.777 272 HD13 LEU 35 HD13 LEU 35 82.249 -1.937 5.364 273 HD21 LEU 35 HD21 LEU 35 80.563 1.001 2.843 274 HD22 LEU 35 HD22 LEU 35 81.871 -0.084 2.374 275 HD23 LEU 35 HD23 LEU 35 82.215 1.334 3.363 276 H PHE 36 H PHE 36 77.802 0.334 4.793 277 HA PHE 36 HA PHE 36 78.644 2.549 6.244 278 HB2 PHE 36 HB2 PHE 36 75.790 2.045 5.387 279 HB3 PHE 36 HB1 PHE 36 76.598 3.600 5.582 280 HD1 PHE 36 HD2 PHE 36 76.578 0.462 3.567 281 HD2 PHE 36 HD1 PHE 36 77.927 4.536 3.827 282 HE1 PHE 36 HE2 PHE 36 77.382 0.348 1.228 283 HE2 PHE 36 HE1 PHE 36 78.717 4.420 1.489 284 HZ PHE 36 HZ PHE 36 78.448 2.329 0.185 285 H GLY 37 H GLY 37 79.018 2.104 8.431 286 HA2 GLY 37 HA2 GLY 37 77.540 2.823 10.421 287 HA3 GLY 37 HA3 GLY 37 76.666 1.348 10.049 288 H ARG 38 H ARG 38 79.292 -0.001 9.324 289 HA ARG 38 HA ARG 38 79.908 -0.839 12.058 290 HB2 ARG 38 HB2 ARG 38 80.240 -1.978 9.340 291 HB3 ARG 38 HB3 ARG 38 81.473 -2.419 10.522 292 HG2 ARG 38 HG2 ARG 38 79.537 -3.020 12.096 293 HG3 ARG 38 HG3 ARG 38 78.489 -2.888 10.683 294 HD2 ARG 38 HD2 ARG 38 80.934 -4.529 10.306 295 HD3 ARG 38 HD3 ARG 38 79.739 -5.193 11.413 296 HE ARG 38 HE ARG 38 78.165 -4.603 9.364 297 HH11 ARG 38 HH21 ARG 38 81.353 -5.983 9.390 298 HH12 ARG 38 HH22 ARG 38 81.118 -6.878 7.928 299 HH21 ARG 38 HH11 ARG 38 77.862 -5.793 7.460 300 HH22 ARG 38 HH12 ARG 38 79.146 -6.777 6.842 301 H LYS 39 H LYS 39 81.890 -0.744 13.037 302 HA LYS 39 HA LYS 39 83.604 1.415 12.418 303 HB2 LYS 39 HB2 LYS 39 83.668 -0.875 14.338 304 HB3 LYS 39 HB3 LYS 39 85.141 0.058 14.092 305 HG2 LYS 39 HG2 LYS 39 82.595 1.570 14.545 306 HG3 LYS 39 HG3 LYS 39 83.331 0.765 15.930 307 HD2 LYS 39 HD2 LYS 39 85.501 1.914 15.355 308 HD3 LYS 39 HD3 LYS 39 84.627 2.830 14.126 309 HE2 LYS 39 HE2 LYS 39 83.802 2.773 17.038 310 HE3 LYS 39 HE3 LYS 39 84.874 4.001 16.365 311 HZ1 LYS 39 HZ1 LYS 39 82.604 4.771 16.347 312 HZ2 LYS 39 HZ2 LYS 39 82.107 3.407 15.465 313 HZ3 LYS 39 HZ3 LYS 39 83.142 4.551 14.753 314 H THR 40 H THR 40 86.072 1.048 12.231 315 HA THR 40 HA THR 40 86.573 -0.286 9.765 316 HB THR 40 HB THR 40 88.996 0.288 10.330 317 HG1 THR 40 HG1 THR 40 87.797 1.818 12.370 318 HG21 THR 40 HG21 THR 40 88.502 2.784 10.139 319 HG22 THR 40 HG22 THR 40 86.794 2.352 10.233 320 HG23 THR 40 HG23 THR 40 87.781 1.756 8.899 321 H GLY 41 H GLY 41 87.790 -2.111 9.324 322 HA2 GLY 41 HA2 GLY 41 88.360 -4.317 9.644 323 HA3 GLY 41 HA3 GLY 41 89.276 -3.691 11.014 324 H GLN 42 H GLN 42 85.790 -4.037 10.356 325 HA GLN 42 HA GLN 42 85.516 -5.351 12.991 326 HB2 GLN 42 HB2 GLN 42 84.200 -3.245 12.525 327 HB3 GLN 42 HB1 GLN 42 83.310 -4.157 11.304 328 HG2 GLN 42 HG2 GLN 42 82.580 -5.770 12.984 329 HG3 GLN 42 HG1 GLN 42 83.547 -4.964 14.217 330 HE21 GLN 42 HE21 GLN 42 82.397 -2.503 12.302 331 HE22 GLN 42 HE22 GLN 42 80.975 -2.133 13.152 332 H ALA 43 H ALA 43 85.313 -5.855 9.603 333 HA ALA 43 HA ALA 43 83.545 -8.136 9.754 334 HB1 ALA 43 HB1 ALA 43 83.374 -7.085 7.694 335 HB2 ALA 43 HB2 ALA 43 84.496 -8.391 7.314 336 HB3 ALA 43 HB3 ALA 43 85.104 -6.759 7.600 337 HA PRO 44 HA PRO 44 86.907 -10.900 10.766 338 HB2 PRO 44 HB2 PRO 44 85.591 -13.265 10.575 339 HB3 PRO 44 HB1 PRO 44 85.284 -12.118 11.893 340 HG2 PRO 44 HG2 PRO 44 83.711 -12.583 9.400 341 HG3 PRO 44 HG1 PRO 44 83.143 -12.337 11.061 342 HD2 PRO 44 HD2 PRO 44 83.176 -10.338 9.173 343 HD3 PRO 44 HD1 PRO 44 83.309 -10.036 10.921 344 H GLY 45 H GLY 45 85.415 -13.292 8.814 345 HA2 GLY 45 HA2 GLY 45 86.429 -14.516 7.095 346 HA3 GLY 45 HA3 GLY 45 86.007 -13.035 6.247 347 H PHE 46 H PHE 46 87.613 -11.455 5.880 348 HA PHE 46 HA PHE 46 90.232 -12.530 5.429 349 HB2 PHE 46 HB2 PHE 46 89.004 -10.786 4.016 350 HB3 PHE 46 HB1 PHE 46 89.458 -9.619 5.259 351 HD1 PHE 46 HD2 PHE 46 90.793 -12.061 2.793 352 HD2 PHE 46 HD1 PHE 46 91.694 -8.794 5.431 353 HE1 PHE 46 HE2 PHE 46 93.051 -11.874 1.788 354 HE2 PHE 46 HE1 PHE 46 93.953 -8.607 4.426 355 HZ PHE 46 HZ PHE 46 94.632 -10.147 2.605 356 H THR 47 H THR 47 92.220 -11.703 6.263 357 HA THR 47 HA THR 47 92.091 -11.131 9.105 358 HB THR 47 HB THR 47 94.567 -11.289 7.385 359 HG1 THR 47 HG1 THR 47 92.813 -13.248 8.300 360 HG21 THR 47 HG21 THR 47 94.894 -10.434 9.651 361 HG22 THR 47 HG22 THR 47 95.556 -12.064 9.532 362 HG23 THR 47 HG23 THR 47 94.000 -11.800 10.317 363 H TYR 48 H TYR 48 91.213 -9.037 9.154 364 HA TYR 48 HA TYR 48 92.143 -6.823 7.702 365 HB2 TYR 48 HB2 TYR 48 90.628 -7.196 10.251 366 HB3 TYR 48 HB3 TYR 48 91.241 -5.588 9.873 367 HD1 TYR 48 HD2 TYR 48 88.948 -8.274 8.827 368 HD2 TYR 48 HD1 TYR 48 90.437 -4.347 7.954 369 HE1 TYR 48 HE2 TYR 48 87.072 -7.914 7.244 370 HE2 TYR 48 HE1 TYR 48 88.572 -3.984 6.376 371 HH TYR 48 HH TYR 48 86.321 -4.827 5.983 372 H THR 49 H THR 49 93.479 -5.076 8.319 373 HA THR 49 HA THR 49 95.842 -5.916 9.798 374 HB THR 49 HB THR 49 96.853 -3.886 8.958 375 HG1 THR 49 HG1 THR 49 94.283 -3.092 8.910 376 HG21 THR 49 HG21 THR 49 95.066 -4.995 6.781 377 HG22 THR 49 HG22 THR 49 96.489 -5.836 7.394 378 HG23 THR 49 HG23 THR 49 96.666 -4.278 6.588 379 H ASP 50 H ASP 50 96.709 -4.776 11.588 380 HA ASP 50 HA ASP 50 94.987 -4.164 13.652 381 HB2 ASP 50 HB2 ASP 50 97.700 -2.884 13.269 382 HB3 ASP 50 HB1 ASP 50 96.867 -3.186 14.793 383 H ALA 51 H ALA 51 96.341 -1.985 11.214 384 HA ALA 51 HA ALA 51 95.551 0.466 12.262 385 HB1 ALA 51 HB1 ALA 51 95.830 -0.527 9.432 386 HB2 ALA 51 HB2 ALA 51 96.911 0.530 10.342 387 HB3 ALA 51 HB3 ALA 51 95.351 1.134 9.785 388 H ASN 52 H ASN 52 93.691 -1.856 10.327 389 HA ASN 52 HA ASN 52 91.321 -0.186 10.344 390 HB2 ASN 52 HB2 ASN 52 92.035 -2.893 9.273 391 HB3 ASN 52 HB1 ASN 52 90.335 -2.477 9.472 392 HD21 ASN 52 HD21 ASN 52 90.103 -2.475 7.092 393 HD22 ASN 52 HD22 ASN 52 90.673 -1.156 6.186 394 H LYS 53 H LYS 53 92.710 -2.709 12.268 395 HA LYS 53 HA LYS 53 90.240 -3.314 13.673 396 HB2 LYS 53 HB2 LYS 53 91.342 -5.208 14.201 397 HB3 LYS 53 HB3 LYS 53 92.723 -4.617 13.284 398 HG2 LYS 53 HG2 LYS 53 93.537 -3.436 15.328 399 HG3 LYS 53 HG3 LYS 53 92.190 -4.128 16.234 400 HD2 LYS 53 HD2 LYS 53 93.966 -5.979 14.678 401 HD3 LYS 53 HD3 LYS 53 94.555 -5.330 16.207 402 HE2 LYS 53 HE2 LYS 53 91.841 -6.641 15.951 403 HE3 LYS 53 HE3 LYS 53 93.298 -7.552 16.347 404 HZ1 LYS 53 HZ1 LYS 53 93.396 -5.413 18.019 405 HZ2 LYS 53 HZ2 LYS 53 92.879 -6.976 18.439 406 HZ3 LYS 53 HZ3 LYS 53 91.744 -5.794 17.991 407 H ASN 54 H ASN 54 92.591 -0.937 13.725 408 HA ASN 54 HA ASN 54 92.846 -0.398 16.494 409 HB2 ASN 54 HB2 ASN 54 93.967 1.503 15.831 410 HB3 ASN 54 HB1 ASN 54 94.129 0.524 14.379 411 HD21 ASN 54 HD21 ASN 54 91.423 0.866 13.393 412 HD22 ASN 54 HD22 ASN 54 91.244 2.490 12.935 413 H LYS 55 H LYS 55 90.322 0.039 14.256 414 HA LYS 55 HA LYS 55 88.236 1.018 14.382 415 HB2 LYS 55 HB2 LYS 55 88.830 0.628 17.320 416 HB3 LYS 55 HB3 LYS 55 87.265 1.155 16.700 417 HG2 LYS 55 HG2 LYS 55 87.213 -0.907 15.263 418 HG3 LYS 55 HG3 LYS 55 88.680 -1.452 16.078 419 HD2 LYS 55 HD2 LYS 55 87.540 -1.447 18.232 420 HD3 LYS 55 HD3 LYS 55 86.087 -0.771 17.494 421 HE2 LYS 55 HE2 LYS 55 85.648 -3.097 17.649 422 HE3 LYS 55 HE3 LYS 55 86.109 -2.844 15.966 423 HZ1 LYS 55 HZ1 LYS 55 88.142 -3.818 16.277 424 HZ2 LYS 55 HZ2 LYS 55 87.196 -4.734 17.351 425 HZ3 LYS 55 HZ3 LYS 55 88.185 -3.485 17.941 426 H GLY 56 H GLY 56 89.701 2.922 13.589 427 HA2 GLY 56 HA2 GLY 56 89.897 5.111 15.508 428 HA3 GLY 56 HA3 GLY 56 90.460 5.131 13.841 429 H ILE 57 H ILE 57 88.057 4.265 12.604 430 HA ILE 57 HA ILE 57 86.045 6.267 13.353 431 HB ILE 57 HB ILE 57 85.909 7.162 11.096 432 HG12 ILE 57 HG12 ILE 57 88.026 6.477 9.621 433 HG13 ILE 57 HG13 ILE 57 87.926 4.995 10.567 434 HG21 ILE 57 HG21 ILE 57 88.807 7.182 11.967 435 HG22 ILE 57 HG22 ILE 57 87.544 8.096 12.792 436 HG23 ILE 57 HG23 ILE 57 87.933 8.452 11.108 437 HD11 ILE 57 HD11 ILE 57 85.409 6.055 9.318 438 HD12 ILE 57 HD12 ILE 57 85.881 4.388 9.645 439 HD13 ILE 57 HD13 ILE 57 86.590 5.251 8.287 440 H THR 58 H THR 58 84.185 6.038 11.551 441 HA THR 58 HA THR 58 83.682 3.136 11.244 442 HB THR 58 HB THR 58 81.778 5.348 12.027 443 HG1 THR 58 HG1 THR 58 82.845 3.043 13.241 444 HG21 THR 58 HG21 THR 58 80.552 4.003 10.490 445 HG22 THR 58 HG22 THR 58 80.109 3.409 12.090 446 HG23 THR 58 HG23 THR 58 81.270 2.518 11.108 447 H TRP 59 H TRP 59 82.834 2.417 9.347 448 HA TRP 59 HA TRP 59 83.192 3.984 7.021 449 HB2 TRP 59 HB2 TRP 59 81.376 1.584 7.162 450 HB3 TRP 59 HB1 TRP 59 82.350 2.149 5.805 451 HD1 TRP 59 HD1 TRP 59 85.126 2.508 7.179 452 HE1 TRP 59 HE1 TRP 59 86.457 0.445 7.985 453 HE3 TRP 59 HE3 TRP 59 81.347 -0.894 7.605 454 HZ2 TRP 59 HZ2 TRP 59 85.970 -2.266 8.744 455 HZ3 TRP 59 HZ3 TRP 59 81.808 -3.206 8.363 456 HH2 TRP 59 HH2 TRP 59 84.114 -3.893 8.933 457 H LYS 60 H LYS 60 81.805 5.192 5.834 458 HA LYS 60 HA LYS 60 78.947 5.176 6.330 459 HB2 LYS 60 HB2 LYS 60 80.671 7.562 7.043 460 HB3 LYS 60 HB3 LYS 60 78.926 7.654 6.816 461 HG2 LYS 60 HG2 LYS 60 78.762 5.765 8.552 462 HG3 LYS 60 HG3 LYS 60 80.450 6.113 8.921 463 HD2 LYS 60 HD2 LYS 60 78.329 8.270 8.921 464 HD3 LYS 60 HD3 LYS 60 78.704 7.320 10.358 465 HE2 LYS 60 HE2 LYS 60 81.112 8.002 10.101 466 HE3 LYS 60 HE3 LYS 60 80.612 9.083 8.799 467 HZ1 LYS 60 HZ1 LYS 60 80.526 10.469 10.600 468 HZ2 LYS 60 HZ2 LYS 60 80.041 9.246 11.675 469 HZ3 LYS 60 HZ3 LYS 60 78.926 9.906 10.575 470 H GLU 61 H GLU 61 78.370 7.644 5.100 471 HA GLU 61 HA GLU 61 78.878 6.946 2.354 472 HB2 GLU 61 HB2 GLU 61 76.727 7.928 3.084 473 HB3 GLU 61 HB3 GLU 61 77.567 9.420 3.508 474 HG2 GLU 61 HG2 GLU 61 78.211 9.799 1.219 475 HG3 GLU 61 HG3 GLU 61 77.647 8.200 0.738 476 H GLU 62 H GLU 62 79.574 9.883 4.272 477 HA GLU 62 HA GLU 62 81.347 10.974 2.328 478 HB2 GLU 62 HB2 GLU 62 81.203 11.614 5.284 479 HB3 GLU 62 HB3 GLU 62 81.872 12.635 4.011 480 HG2 GLU 62 HG2 GLU 62 78.978 11.759 4.238 481 HG3 GLU 62 HG3 GLU 62 79.598 13.368 4.600 482 H THR 63 H THR 63 81.864 9.177 5.352 483 HA THR 63 HA THR 63 84.633 9.326 5.509 484 HB THR 63 HB THR 63 84.528 7.185 6.719 485 HG1 THR 63 HG1 THR 63 83.021 6.167 5.358 486 HG21 THR 63 HG21 THR 63 82.672 7.860 8.334 487 HG22 THR 63 HG22 THR 63 82.337 9.193 7.229 488 HG23 THR 63 HG23 THR 63 83.909 9.075 8.018 489 H LEU 64 H LEU 64 82.579 7.261 3.530 490 HA LEU 64 HA LEU 64 84.690 5.640 2.512 491 HB2 LEU 64 HB2 LEU 64 81.820 5.955 2.056 492 HB3 LEU 64 HB3 LEU 64 82.707 5.604 0.580 493 HG LEU 64 HG LEU 64 83.065 3.992 3.116 494 HD11 LEU 64 HD11 LEU 64 81.664 2.397 1.349 495 HD12 LEU 64 HD12 LEU 64 80.900 3.968 1.126 496 HD13 LEU 64 HD13 LEU 64 80.961 3.241 2.728 497 HD21 LEU 64 HD21 LEU 64 83.943 3.755 0.239 498 HD22 LEU 64 HD22 LEU 64 83.757 2.305 1.222 499 HD23 LEU 64 HD23 LEU 64 84.898 3.557 1.707 500 H MET 65 H MET 65 83.220 8.695 1.543 501 HA MET 65 HA MET 65 84.295 8.858 -1.055 502 HB2 MET 65 HB2 MET 65 83.612 11.066 0.894 503 HB3 MET 65 HB1 MET 65 83.974 11.312 -0.814 504 HG2 MET 65 HG2 MET 65 82.076 10.013 -1.492 505 HG3 MET 65 HG1 MET 65 81.799 9.454 0.155 506 HE1 MET 65 HE1 MET 65 80.509 11.413 -2.436 507 HE2 MET 65 HE2 MET 65 81.834 12.558 -2.245 508 HE3 MET 65 HE3 MET 65 80.184 13.066 -1.897 509 H GLU 66 H GLU 66 85.525 10.384 1.937 510 HA GLU 66 HA GLU 66 87.938 11.296 0.796 511 HB2 GLU 66 HB2 GLU 66 87.427 10.505 3.676 512 HB3 GLU 66 HB3 GLU 66 88.716 11.559 3.092 513 HG2 GLU 66 HG2 GLU 66 86.906 13.062 2.139 514 HG3 GLU 66 HG3 GLU 66 85.737 12.085 3.026 515 H TYR 67 H TYR 67 86.926 8.242 2.112 516 HA TYR 67 HA TYR 67 89.566 7.082 2.217 517 HB2 TYR 67 HB2 TYR 67 88.040 6.174 3.763 518 HB3 TYR 67 HB3 TYR 67 86.765 6.055 2.561 519 HD1 TYR 67 HD2 TYR 67 86.957 4.357 0.704 520 HD2 TYR 67 HD1 TYR 67 89.608 4.404 4.083 521 HE1 TYR 67 HE2 TYR 67 87.622 2.019 0.214 522 HE2 TYR 67 HE1 TYR 67 90.271 2.064 3.594 523 HH TYR 67 HH TYR 67 90.172 0.612 1.090 524 H LEU 68 H LEU 68 87.035 7.430 -0.131 525 HA LEU 68 HA LEU 68 87.973 5.308 -1.856 526 HB2 LEU 68 HB2 LEU 68 85.753 7.272 -1.855 527 HB3 LEU 68 HB3 LEU 68 86.331 6.788 -3.442 528 HG LEU 68 HG LEU 68 85.555 4.835 -1.257 529 HD11 LEU 68 HD11 LEU 68 83.602 4.451 -2.957 530 HD12 LEU 68 HD12 LEU 68 83.985 6.086 -3.500 531 HD13 LEU 68 HD13 LEU 68 83.511 5.797 -1.827 532 HD21 LEU 68 HD21 LEU 68 85.329 3.506 -3.607 533 HD22 LEU 68 HD22 LEU 68 86.800 3.512 -2.640 534 HD23 LEU 68 HD23 LEU 68 86.645 4.603 -4.011 535 H GLU 69 H GLU 69 88.891 8.531 -1.263 536 HA GLU 69 HA GLU 69 90.038 8.872 -3.950 537 HB2 GLU 69 HB2 GLU 69 90.071 11.129 -3.546 538 HB3 GLU 69 HB3 GLU 69 88.787 10.685 -2.425 539 HG2 GLU 69 HG2 GLU 69 90.667 10.382 -0.682 540 HG3 GLU 69 HG3 GLU 69 91.686 11.265 -1.816 541 H ASN 70 H ASN 70 90.877 7.712 -0.899 542 HA ASN 70 HA ASN 70 93.552 7.144 -1.642 543 HB2 ASN 70 HB2 ASN 70 93.479 9.711 -1.013 544 HB3 ASN 70 HB1 ASN 70 93.516 9.090 0.634 545 HD21 ASN 70 HD21 ASN 70 95.222 6.882 0.398 546 HD22 ASN 70 HD22 ASN 70 96.756 7.395 -0.114 547 HA PRO 71 HA PRO 71 91.200 4.638 1.630 548 HB2 PRO 71 HB2 PRO 71 92.819 2.657 0.065 549 HB3 PRO 71 HB1 PRO 71 91.178 2.505 0.717 550 HG2 PRO 71 HG2 PRO 71 91.610 2.980 -1.869 551 HG3 PRO 71 HG1 PRO 71 90.236 3.693 -1.009 552 HD2 PRO 71 HD2 PRO 71 92.720 5.004 -1.981 553 HD3 PRO 71 HD1 PRO 71 91.118 5.708 -1.678 554 H LYS 72 H LYS 72 94.567 4.515 0.501 555 HA LYS 72 HA LYS 72 95.599 3.246 2.831 556 HB2 LYS 72 HB2 LYS 72 96.719 3.260 0.602 557 HB3 LYS 72 HB3 LYS 72 97.075 4.969 0.835 558 HG2 LYS 72 HG2 LYS 72 98.931 4.395 1.984 559 HG3 LYS 72 HG3 LYS 72 97.908 3.667 3.218 560 HD2 LYS 72 HD2 LYS 72 98.757 2.214 0.695 561 HD3 LYS 72 HD3 LYS 72 99.637 2.109 2.218 562 HE2 LYS 72 HE2 LYS 72 96.756 1.288 1.736 563 HE3 LYS 72 HE3 LYS 72 98.117 0.220 2.074 564 HZ1 LYS 72 HZ1 LYS 72 96.834 2.172 3.888 565 HZ2 LYS 72 HZ2 LYS 72 98.373 1.527 4.202 566 HZ3 LYS 72 HZ3 LYS 72 97.022 0.501 4.106 567 H LYS 73 H LYS 73 95.593 6.648 1.766 568 HA LYS 73 HA LYS 73 96.994 7.625 4.014 569 HB2 LYS 73 HB2 LYS 73 96.643 8.803 1.793 570 HB3 LYS 73 HB3 LYS 73 95.029 9.215 2.372 571 HG2 LYS 73 HG2 LYS 73 96.033 10.299 4.364 572 HG3 LYS 73 HG3 LYS 73 97.640 9.917 3.746 573 HD2 LYS 73 HD2 LYS 73 97.400 12.077 2.935 574 HD3 LYS 73 HD3 LYS 73 96.744 11.164 1.577 575 HE2 LYS 73 HE2 LYS 73 95.161 12.899 2.024 576 HE3 LYS 73 HE3 LYS 73 94.455 11.424 2.681 577 HZ1 LYS 73 HZ1 LYS 73 95.165 13.802 4.030 578 HZ2 LYS 73 HZ2 LYS 73 96.038 12.497 4.680 579 HZ3 LYS 73 HZ3 LYS 73 94.340 12.444 4.627 580 H TYR 74 H TYR 74 93.603 6.909 3.498 581 HA TYR 74 HA TYR 74 92.574 8.481 5.625 582 HB2 TYR 74 HB2 TYR 74 91.402 7.110 3.638 583 HB3 TYR 74 HB3 TYR 74 91.212 5.923 4.927 584 HD1 TYR 74 HD1 TYR 74 90.912 9.646 4.476 585 HD2 TYR 74 HD2 TYR 74 89.259 6.073 6.198 586 HE1 TYR 74 HE1 TYR 74 89.033 10.964 5.412 587 HE2 TYR 74 HE2 TYR 74 87.381 7.394 7.133 588 HH TYR 74 HH TYR 74 86.864 10.729 6.257 589 H ILE 75 H ILE 75 93.203 4.970 5.472 590 HA ILE 75 HA ILE 75 93.686 5.020 8.394 591 HB ILE 75 HB ILE 75 92.338 2.805 6.828 592 HG12 ILE 75 HG12 ILE 75 91.094 4.581 8.935 593 HG13 ILE 75 HG13 ILE 75 91.045 5.006 7.225 594 HG21 ILE 75 HG21 ILE 75 93.157 3.167 9.710 595 HG22 ILE 75 HG22 ILE 75 93.424 1.781 8.653 596 HG23 ILE 75 HG23 ILE 75 91.811 2.110 9.284 597 HD11 ILE 75 HD11 ILE 75 89.025 3.720 8.058 598 HD12 ILE 75 HD12 ILE 75 90.094 2.337 8.290 599 HD13 ILE 75 HD13 ILE 75 89.845 2.999 6.674 600 HA PRO 76 HA PRO 76 97.486 3.726 5.905 601 HB2 PRO 76 HB2 PRO 76 98.465 4.567 8.619 602 HB3 PRO 76 HB1 PRO 76 99.205 4.826 7.025 603 HG2 PRO 76 HG2 PRO 76 97.878 6.772 8.272 604 HG3 PRO 76 HG1 PRO 76 97.812 6.581 6.511 605 HD2 PRO 76 HD2 PRO 76 95.703 6.039 8.529 606 HD3 PRO 76 HD1 PRO 76 95.541 6.400 6.797 607 H GLY 77 H GLY 77 98.191 1.670 5.897 608 HA2 GLY 77 HA2 GLY 77 99.172 -0.216 7.091 609 HA3 GLY 77 HA3 GLY 77 98.016 0.074 8.386 610 H THR 78 H THR 78 95.848 0.615 6.427 611 HA THR 78 HA THR 78 94.657 -1.903 6.319 612 HB THR 78 HB THR 78 93.440 0.245 6.077 613 HG1 THR 78 HG1 THR 78 92.636 -0.819 3.767 614 HG21 THR 78 HG21 THR 78 93.515 1.473 4.027 615 HG22 THR 78 HG22 THR 78 94.465 0.214 3.235 616 HG23 THR 78 HG23 THR 78 95.190 1.199 4.505 617 H LYS 79 H LYS 79 94.456 -3.469 4.723 618 HA LYS 79 HA LYS 79 96.621 -3.483 2.749 619 HB2 LYS 79 HB2 LYS 79 95.885 -5.437 4.352 620 HB3 LYS 79 HB3 LYS 79 94.700 -5.749 3.085 621 HG2 LYS 79 HG2 LYS 79 96.879 -5.444 1.532 622 HG3 LYS 79 HG3 LYS 79 97.673 -6.004 3.005 623 HD2 LYS 79 HD2 LYS 79 95.913 -7.875 3.034 624 HD3 LYS 79 HD3 LYS 79 95.563 -7.405 1.371 625 HE2 LYS 79 HE2 LYS 79 98.047 -7.661 0.896 626 HE3 LYS 79 HE3 LYS 79 98.191 -8.406 2.488 627 HZ1 LYS 79 HZ1 LYS 79 97.654 -10.291 1.468 628 HZ2 LYS 79 HZ2 LYS 79 97.151 -9.495 0.055 629 HZ3 LYS 79 HZ3 LYS 79 96.075 -9.683 1.355 630 H MET 80 H MET 80 95.885 -2.032 1.182 631 HA MET 80 HA MET 80 94.196 -3.136 -0.821 632 HB2 MET 80 HB2 MET 80 92.308 -2.534 0.457 633 HB3 MET 80 HB1 MET 80 93.034 -1.011 0.973 634 HG2 MET 80 HG2 MET 80 92.631 0.030 -1.073 635 HG3 MET 80 HG1 MET 80 92.585 -1.494 -1.959 636 HE1 MET 80 HE1 MET 80 90.168 1.339 -0.981 637 HE2 MET 80 HE2 MET 80 89.193 0.508 -2.185 638 HE3 MET 80 HE3 MET 80 90.918 0.725 -2.459 639 H ILE 81 H ILE 81 95.831 -2.638 -2.230 640 HA ILE 81 HA ILE 81 96.293 0.244 -2.735 641 HB ILE 81 HB ILE 81 98.265 -2.049 -2.855 642 HG12 ILE 81 HG12 ILE 81 99.556 -0.374 -1.401 643 HG13 ILE 81 HG13 ILE 81 98.046 0.525 -1.271 644 HG21 ILE 81 HG21 ILE 81 98.369 0.730 -4.032 645 HG22 ILE 81 HG22 ILE 81 98.726 -0.807 -4.819 646 HG23 ILE 81 HG23 ILE 81 99.838 -0.154 -3.617 647 HD11 ILE 81 HD11 ILE 81 98.847 -1.605 0.353 648 HD12 ILE 81 HD12 ILE 81 97.648 -2.317 -0.723 649 HD13 ILE 81 HD13 ILE 81 97.229 -0.916 0.262 650 H PHE 82 H PHE 82 95.287 0.751 -4.578 651 HA PHE 82 HA PHE 82 95.793 -0.854 -6.963 652 HB2 PHE 82 HB2 PHE 82 93.737 -1.838 -5.998 653 HB3 PHE 82 HB1 PHE 82 92.970 -0.252 -6.047 654 HD1 PHE 82 HD1 PHE 82 94.891 -2.551 -8.311 655 HD2 PHE 82 HD2 PHE 82 91.669 0.262 -7.918 656 HE1 PHE 82 HE1 PHE 82 94.269 -2.933 -10.680 657 HE2 PHE 82 HE2 PHE 82 91.048 -0.120 -10.287 658 HZ PHE 82 HZ PHE 82 92.348 -1.717 -11.669 659 H ALA 83 H ALA 83 93.349 1.612 -6.171 660 HA ALA 83 HA ALA 83 94.760 3.809 -7.259 661 HB1 ALA 83 HB1 ALA 83 94.512 2.679 -9.393 662 HB2 ALA 83 HB2 ALA 83 93.440 4.080 -9.358 663 HB3 ALA 83 HB3 ALA 83 92.785 2.461 -9.115 664 H GLY 84 H GLY 84 93.857 5.534 -6.343 665 HA2 GLY 84 HA2 GLY 84 91.273 5.341 -5.069 666 HA3 GLY 84 HA3 GLY 84 92.350 6.734 -5.045 667 H ILE 85 H ILE 85 89.779 7.333 -5.324 668 HA ILE 85 HA ILE 85 89.019 7.466 -8.131 669 HB ILE 85 HB ILE 85 87.747 8.558 -5.616 670 HG12 ILE 85 HG12 ILE 85 87.875 5.982 -6.261 671 HG13 ILE 85 HG13 ILE 85 86.382 6.673 -5.637 672 HG21 ILE 85 HG21 ILE 85 86.932 8.697 -8.519 673 HG22 ILE 85 HG22 ILE 85 87.009 10.005 -7.337 674 HG23 ILE 85 HG23 ILE 85 85.741 8.785 -7.224 675 HD11 ILE 85 HD11 ILE 85 86.242 5.212 -7.775 676 HD12 ILE 85 HD12 ILE 85 86.919 6.615 -8.601 677 HD13 ILE 85 HD13 ILE 85 85.374 6.746 -7.760 678 H LYS 86 H LYS 86 88.461 9.564 -9.132 679 HA LYS 86 HA LYS 86 90.460 11.608 -8.403 680 HB2 LYS 86 HB2 LYS 86 89.413 10.552 -10.940 681 HB3 LYS 86 HB3 LYS 86 89.508 12.310 -10.895 682 HG2 LYS 86 HG2 LYS 86 91.621 11.485 -11.726 683 HG3 LYS 86 HG3 LYS 86 91.890 12.087 -10.091 684 HD2 LYS 86 HD2 LYS 86 92.958 10.035 -9.937 685 HD3 LYS 86 HD3 LYS 86 91.334 9.562 -9.439 686 HE2 LYS 86 HE2 LYS 86 91.953 7.960 -11.078 687 HE3 LYS 86 HE3 LYS 86 90.898 9.085 -11.933 688 HZ1 LYS 86 HZ1 LYS 86 92.832 10.235 -12.772 689 HZ2 LYS 86 HZ2 LYS 86 92.919 8.589 -13.183 690 HZ3 LYS 86 HZ3 LYS 86 93.866 9.201 -11.912 691 H LYS 87 H LYS 87 87.212 11.586 -9.929 692 HA LYS 87 HA LYS 87 86.704 14.249 -8.874 693 HB2 LYS 87 HB2 LYS 87 84.868 12.463 -10.479 694 HB3 LYS 87 HB3 LYS 87 84.699 14.199 -10.216 695 HG2 LYS 87 HG2 LYS 87 86.926 14.518 -11.339 696 HG3 LYS 87 HG3 LYS 87 86.915 12.799 -11.736 697 HD2 LYS 87 HD2 LYS 87 84.731 13.133 -12.911 698 HD3 LYS 87 HD3 LYS 87 84.876 14.865 -12.611 699 HE2 LYS 87 HE2 LYS 87 85.742 14.544 -14.803 700 HE3 LYS 87 HE3 LYS 87 87.160 14.717 -13.769 701 HZ1 LYS 87 HZ1 LYS 87 87.526 12.854 -15.156 702 HZ2 LYS 87 HZ2 LYS 87 85.990 12.206 -14.826 703 HZ3 LYS 87 HZ3 LYS 87 87.180 12.240 -13.613 704 H LYS 88 H LYS 88 84.654 14.751 -7.801 705 HA LYS 88 HA LYS 88 84.275 13.130 -5.478 706 HB2 LYS 88 HB2 LYS 88 84.025 15.560 -5.389 707 HB3 LYS 88 HB3 LYS 88 82.694 15.485 -6.542 708 HG2 LYS 88 HG2 LYS 88 81.456 14.020 -4.899 709 HG3 LYS 88 HG3 LYS 88 82.743 14.334 -3.736 710 HD2 LYS 88 HD2 LYS 88 82.221 16.628 -3.587 711 HD3 LYS 88 HD3 LYS 88 81.320 16.616 -5.102 712 HE2 LYS 88 HE2 LYS 88 79.642 16.679 -3.439 713 HE3 LYS 88 HE3 LYS 88 79.707 14.982 -3.909 714 HZ1 LYS 88 HZ1 LYS 88 79.727 15.036 -1.567 715 HZ2 LYS 88 HZ2 LYS 88 80.910 16.253 -1.518 716 HZ3 LYS 88 HZ3 LYS 88 81.321 14.686 -2.031 717 H THR 89 H THR 89 82.090 13.999 -8.176 718 HA THR 89 HA THR 89 79.934 12.407 -7.466 719 HB THR 89 HB THR 89 79.400 12.358 -9.912 720 HG1 THR 89 HG1 THR 89 81.946 13.595 -9.995 721 HG21 THR 89 HG21 THR 89 80.267 14.992 -8.690 722 HG22 THR 89 HG22 THR 89 78.681 14.236 -8.542 723 HG23 THR 89 HG23 THR 89 79.226 14.846 -10.105 724 H GLU 90 H GLU 90 83.023 11.473 -8.745 725 HA GLU 90 HA GLU 90 82.262 8.905 -9.726 726 HB2 GLU 90 HB2 GLU 90 84.882 10.131 -8.882 727 HB3 GLU 90 HB3 GLU 90 84.774 8.420 -9.295 728 HG2 GLU 90 HG2 GLU 90 84.102 8.883 -11.515 729 HG3 GLU 90 HG3 GLU 90 83.700 10.556 -11.135 730 H ARG 91 H ARG 91 83.331 10.183 -6.629 731 HA ARG 91 HA ARG 91 83.396 7.626 -5.305 732 HB2 ARG 91 HB2 ARG 91 83.218 10.389 -4.074 733 HB3 ARG 91 HB3 ARG 91 83.759 8.908 -3.286 734 HG2 ARG 91 HG2 ARG 91 85.629 8.761 -4.918 735 HG3 ARG 91 HG3 ARG 91 85.122 10.304 -5.601 736 HD2 ARG 91 HD2 ARG 91 85.259 10.864 -2.895 737 HD3 ARG 91 HD3 ARG 91 86.609 9.756 -3.124 738 HE ARG 91 HE ARG 91 86.853 11.541 -5.190 739 HH11 ARG 91 HH21 ARG 91 86.564 11.746 -1.746 740 HH12 ARG 91 HH22 ARG 91 87.482 13.210 -1.618 741 HH21 ARG 91 HH11 ARG 91 88.059 13.459 -5.028 742 HH22 ARG 91 HH12 ARG 91 88.327 14.179 -3.476 743 H GLU 92 H GLU 92 81.216 10.453 -5.234 744 HA GLU 92 HA GLU 92 79.295 9.434 -3.485 745 HB2 GLU 92 HB2 GLU 92 79.472 11.790 -4.494 746 HB3 GLU 92 HB3 GLU 92 78.601 11.133 -5.880 747 HG2 GLU 92 HG2 GLU 92 76.812 10.345 -4.313 748 HG3 GLU 92 HG3 GLU 92 77.653 11.175 -3.003 749 H ASP 93 H ASP 93 79.290 9.313 -7.063 750 HA ASP 93 HA ASP 93 76.977 7.739 -7.333 751 HB2 ASP 93 HB2 ASP 93 79.416 7.803 -9.127 752 HB3 ASP 93 HB1 ASP 93 77.822 7.200 -9.574 753 H LEU 94 H LEU 94 80.403 6.793 -7.208 754 HA LEU 94 HA LEU 94 80.078 4.027 -7.437 755 HB2 LEU 94 HB2 LEU 94 82.282 5.062 -7.558 756 HB3 LEU 94 HB3 LEU 94 82.139 5.601 -5.887 757 HG LEU 94 HG LEU 94 82.105 3.313 -5.086 758 HD11 LEU 94 HD11 LEU 94 82.638 1.531 -6.928 759 HD12 LEU 94 HD12 LEU 94 81.931 2.715 -8.027 760 HD13 LEU 94 HD13 LEU 94 80.971 2.058 -6.700 761 HD21 LEU 94 HD21 LEU 94 84.298 4.473 -5.643 762 HD22 LEU 94 HD22 LEU 94 84.315 3.539 -7.139 763 HD23 LEU 94 HD23 LEU 94 84.367 2.714 -5.584 764 H ILE 95 H ILE 95 79.822 6.167 -4.668 765 HA ILE 95 HA ILE 95 79.617 4.046 -2.768 766 HB ILE 95 HB ILE 95 79.280 7.019 -2.655 767 HG12 ILE 95 HG12 ILE 95 80.976 5.456 -0.775 768 HG13 ILE 95 HG13 ILE 95 81.453 5.387 -2.465 769 HG21 ILE 95 HG21 ILE 95 79.025 6.479 -0.074 770 HG22 ILE 95 HG22 ILE 95 78.329 4.973 -0.674 771 HG23 ILE 95 HG23 ILE 95 77.602 6.518 -1.115 772 HD11 ILE 95 HD11 ILE 95 80.799 8.096 -1.475 773 HD12 ILE 95 HD12 ILE 95 82.130 7.553 -2.493 774 HD13 ILE 95 HD13 ILE 95 82.222 7.356 -0.747 775 H ALA 96 H ALA 96 77.380 5.923 -4.681 776 HA ALA 96 HA ALA 96 75.006 5.343 -3.280 777 HB1 ALA 96 HB1 ALA 96 75.220 6.987 -5.160 778 HB2 ALA 96 HB2 ALA 96 73.856 5.883 -5.341 779 HB3 ALA 96 HB3 ALA 96 75.329 5.627 -6.277 780 H TYR 97 H TYR 97 76.877 3.552 -5.667 781 HA TYR 97 HA TYR 97 74.966 1.421 -5.927 782 HB2 TYR 97 HB2 TYR 97 76.435 1.768 -7.781 783 HB3 TYR 97 HB3 TYR 97 77.862 1.699 -6.747 784 HD1 TYR 97 HD1 TYR 97 75.001 -0.324 -8.030 785 HD2 TYR 97 HD2 TYR 97 78.890 -0.373 -6.209 786 HE1 TYR 97 HE1 TYR 97 75.113 -2.780 -8.339 787 HE2 TYR 97 HE2 TYR 97 79.002 -2.831 -6.520 788 HH TYR 97 HH TYR 97 78.046 -4.570 -7.771 789 H LEU 98 H LEU 98 78.114 1.781 -4.265 790 HA LEU 98 HA LEU 98 78.319 -0.739 -3.146 791 HB2 LEU 98 HB2 LEU 98 79.204 1.980 -2.233 792 HB3 LEU 98 HB3 LEU 98 79.456 0.587 -1.191 793 HG LEU 98 HG LEU 98 80.291 0.411 -4.074 794 HD11 LEU 98 HD11 LEU 98 81.228 2.554 -3.086 795 HD12 LEU 98 HD12 LEU 98 82.425 1.390 -3.636 796 HD13 LEU 98 HD13 LEU 98 82.076 1.545 -1.915 797 HD21 LEU 98 HD21 LEU 98 81.888 -1.167 -3.181 798 HD22 LEU 98 HD22 LEU 98 80.320 -1.540 -2.465 799 HD23 LEU 98 HD23 LEU 98 81.530 -0.664 -1.529 800 H LYS 99 H LYS 99 76.125 1.834 -2.365 801 HA LYS 99 HA LYS 99 75.407 0.829 0.244 802 HB2 LYS 99 HB2 LYS 99 74.303 2.961 -1.571 803 HB3 LYS 99 HB3 LYS 99 73.447 2.474 -0.108 804 HG2 LYS 99 HG2 LYS 99 75.472 2.962 1.231 805 HG3 LYS 99 HG3 LYS 99 76.306 3.476 -0.233 806 HD2 LYS 99 HD2 LYS 99 75.454 5.448 0.908 807 HD3 LYS 99 HD3 LYS 99 74.540 5.212 -0.581 808 HE2 LYS 99 HE2 LYS 99 72.619 4.534 0.544 809 HE3 LYS 99 HE3 LYS 99 73.519 3.960 1.949 810 HZ1 LYS 99 HZ1 LYS 99 73.506 6.823 1.253 811 HZ2 LYS 99 HZ2 LYS 99 73.785 6.089 2.760 812 HZ3 LYS 99 HZ3 LYS 99 72.213 6.149 2.119 813 H LYS 100 H LYS 100 73.762 0.949 -2.923 814 HA LYS 100 HA LYS 100 71.602 -0.722 -2.015 815 HB2 LYS 100 HB2 LYS 100 71.610 1.054 -3.915 816 HB3 LYS 100 HB3 LYS 100 72.271 -0.245 -4.909 817 HG2 LYS 100 HG2 LYS 100 70.347 -1.667 -4.381 818 HG3 LYS 100 HG3 LYS 100 69.695 -0.424 -3.315 819 HD2 LYS 100 HD2 LYS 100 70.315 0.303 -6.160 820 HD3 LYS 100 HD3 LYS 100 68.852 -0.619 -5.823 821 HE2 LYS 100 HE2 LYS 100 67.905 1.096 -4.542 822 HE3 LYS 100 HE3 LYS 100 69.466 1.842 -4.204 823 HZ1 LYS 100 HZ1 LYS 100 69.045 1.783 -6.984 824 HZ2 LYS 100 HZ2 LYS 100 69.223 3.131 -5.965 825 HZ3 LYS 100 HZ3 LYS 100 67.682 2.470 -6.242 826 H ALA 101 H ALA 101 74.752 -1.289 -3.188 827 HA ALA 101 HA ALA 101 74.191 -3.947 -4.232 828 HB1 ALA 101 HB1 ALA 101 76.903 -2.727 -3.719 829 HB2 ALA 101 HB2 ALA 101 75.960 -2.368 -5.166 830 HB3 ALA 101 HB3 ALA 101 76.487 -4.019 -4.844 831 H THR 102 H THR 102 75.415 -2.433 -1.324 832 HA THR 102 HA THR 102 76.223 -5.002 -0.178 833 HB THR 102 HB THR 102 76.904 -3.609 1.768 834 HG1 THR 102 HG1 THR 102 75.544 -1.723 0.247 835 HG21 THR 102 HG21 THR 102 78.626 -3.952 0.198 836 HG22 THR 102 HG22 THR 102 78.599 -2.201 0.405 837 HG23 THR 102 HG23 THR 102 77.848 -2.934 -1.014 838 H ASN 103 H ASN 103 73.421 -3.325 -0.590 839 HA ASN 103 HA ASN 103 72.234 -4.046 1.997 840 HB2 ASN 103 HB2 ASN 103 71.356 -2.352 -0.331 841 HB3 ASN 103 HB1 ASN 103 70.217 -2.867 0.905 842 HD21 ASN 103 HD21 ASN 103 73.598 -2.204 1.684 843 HD22 ASN 103 HD22 ASN 103 73.292 -0.796 2.578 844 H GLU 104 H GLU 104 72.376 -5.039 -1.315 845 HA GLU 104 HA GLU 104 70.765 -7.394 -0.699 846 HB2 GLU 104 HB2 GLU 104 69.415 -7.054 -2.811 847 HB3 GLU 104 HB3 GLU 104 69.023 -5.952 -1.490 848 HG2 GLU 104 HG2 GLU 104 70.235 -4.161 -2.491 849 HG3 GLU 104 HG3 GLU 104 71.021 -5.240 -3.642 850 HHA HEC 201 HA HEC 105 89.246 -3.492 3.251 851 HHB HEC 201 HB HEC 105 85.541 0.105 -0.399 852 HHC HEC 201 HC HEC 105 88.826 -1.705 -5.492 853 HHD HEC 201 HD HEC 105 92.106 -5.762 -1.915 854 HMA1 HEC 201 HMA1 HEC 105 84.585 -0.128 1.604 855 HMA2 HEC 201 HMA2 HEC 105 85.740 0.931 2.413 856 HMA3 HEC 201 HMA3 HEC 105 85.029 -0.428 3.281 857 HAA1 HEC 201 HAA1 HEC 105 86.792 -0.921 4.532 858 HAA2 HEC 201 HAA2 HEC 105 88.321 -1.778 4.505 859 HBA1 HEC 201 HBA1 HEC 105 87.272 -3.888 4.540 860 HBA2 HEC 201 HBA2 HEC 105 85.706 -3.216 4.098 861 HMB1 HEC 201 HMB1 HEC 105 84.835 1.259 -3.932 862 HMB2 HEC 201 HMB2 HEC 105 85.187 1.657 -2.255 863 HMB3 HEC 201 HMB3 HEC 105 84.151 0.285 -2.637 864 HAB HEC 201 HAB HEC 105 87.379 -0.455 -6.151 865 HBB1 HEC 201 HBB1 HEC 105 86.741 2.085 -4.712 866 HBB2 HEC 201 HBB2 HEC 105 87.996 1.755 -5.901 867 HBB3 HEC 201 HBB3 HEC 105 86.327 1.974 -6.420 868 HMC1 HEC 201 HMC1 HEC 105 91.145 -4.307 -6.861 869 HMC2 HEC 201 HMC2 HEC 105 91.410 -2.589 -6.580 870 HMC3 HEC 201 HMC3 HEC 105 89.778 -3.203 -6.825 871 HAC HEC 201 HAC HEC 105 92.617 -6.141 -3.826 872 HBC1 HEC 201 HBC1 HEC 105 93.641 -3.951 -5.050 873 HBC2 HEC 201 HBC2 HEC 105 93.260 -4.933 -6.463 874 HBC3 HEC 201 HBC3 HEC 105 94.340 -5.560 -5.220 875 HMD1 HEC 201 HMD1 HEC 105 93.288 -6.346 -0.148 876 HMD2 HEC 201 HMD2 HEC 105 92.139 -7.518 0.496 877 HMD3 HEC 201 HMD3 HEC 105 93.141 -6.568 1.590 878 HAD1 HEC 201 HAD1 HEC 105 91.758 -6.320 3.242 879 HAD2 HEC 201 HAD2 HEC 105 90.238 -5.588 3.713 880 HBD1 HEC 201 HBD1 HEC 105 91.511 -3.369 3.824 881 HBD2 HEC 201 HBD2 HEC 105 92.980 -4.336 3.722 882 H1 HOH 301 H2 HOH 200 80.541 2.270 -0.639 883 H2 HOH 301 H1 HOH 200 81.685 3.253 -0.770 884 H1 HOH 302 H2 HOH 201 87.114 5.595 5.877 885 H2 HOH 302 H1 HOH 201 85.837 6.147 5.283 886 H1 HOH 303 H2 HOH 202 82.267 -5.278 5.699 887 H2 HOH 303 H1 HOH 202 81.761 -6.611 6.206 888 H1 HOH 304 H2 HOH 203 83.726 -9.984 0.128 889 H2 HOH 304 H1 HOH 203 82.537 -10.920 0.070 Start of MODEL 25 1 H1 GLY 1 H1 GLY 1 75.354 8.320 -6.344 2 H2 GLY 1 H2 GLY 1 75.807 9.902 -5.922 3 H3 GLY 1 H3 GLY 1 75.948 9.376 -7.531 4 HA2 GLY 1 HA2 GLY 1 73.356 9.528 -6.104 5 HA3 GLY 1 HA3 GLY 1 73.998 10.851 -7.078 6 H ASP 2 H ASP 2 75.125 7.990 -8.336 7 HA ASP 2 HA ASP 2 72.797 7.548 -10.088 8 HB2 ASP 2 HB2 ASP 2 75.616 8.093 -11.047 9 HB3 ASP 2 HB1 ASP 2 74.289 7.530 -12.063 10 H VAL 3 H VAL 3 72.574 5.623 -8.860 11 HA VAL 3 HA VAL 3 74.406 3.653 -8.346 12 HB VAL 3 HB VAL 3 72.031 3.575 -7.665 13 HG11 VAL 3 HG11 VAL 3 71.484 2.716 -10.518 14 HG12 VAL 3 HG12 VAL 3 71.190 4.351 -9.925 15 HG13 VAL 3 HG13 VAL 3 70.304 2.990 -9.237 16 HG21 VAL 3 HG21 VAL 3 71.722 1.170 -7.968 17 HG22 VAL 3 HG22 VAL 3 73.430 1.506 -7.697 18 HG23 VAL 3 HG23 VAL 3 72.847 1.168 -9.326 19 H GLU 4 H GLU 4 73.268 4.736 -11.416 20 HA GLU 4 HA GLU 4 73.852 2.347 -12.891 21 HB2 GLU 4 HB2 GLU 4 73.625 5.205 -13.864 22 HB3 GLU 4 HB3 GLU 4 73.593 3.760 -14.875 23 HG2 GLU 4 HG2 GLU 4 71.542 3.005 -13.864 24 HG3 GLU 4 HG3 GLU 4 71.621 4.267 -12.636 25 H LYS 5 H LYS 5 75.511 5.511 -12.774 26 HA LYS 5 HA LYS 5 77.843 4.510 -14.093 27 HB2 LYS 5 HB2 LYS 5 77.221 7.044 -12.572 28 HB3 LYS 5 HB3 LYS 5 78.838 6.712 -13.194 29 HG2 LYS 5 HG2 LYS 5 77.998 6.543 -15.461 30 HG3 LYS 5 HG3 LYS 5 76.332 6.674 -14.900 31 HD2 LYS 5 HD2 LYS 5 78.258 8.860 -14.181 32 HD3 LYS 5 HD3 LYS 5 77.620 8.807 -15.823 33 HE2 LYS 5 HE2 LYS 5 75.328 8.854 -14.978 34 HE3 LYS 5 HE3 LYS 5 75.912 8.791 -13.316 35 HZ1 LYS 5 HZ1 LYS 5 76.167 10.974 -13.330 36 HZ2 LYS 5 HZ2 LYS 5 75.519 11.041 -14.900 37 HZ3 LYS 5 HZ3 LYS 5 77.197 10.892 -14.675 38 H GLY 6 H GLY 6 76.710 4.509 -10.847 39 HA2 GLY 6 HA2 GLY 6 79.248 4.269 -9.542 40 HA3 GLY 6 HA3 GLY 6 77.679 3.839 -8.856 41 H LYS 7 H LYS 7 76.919 2.100 -10.994 42 HA LYS 7 HA LYS 7 78.068 -0.340 -10.080 43 HB2 LYS 7 HB2 LYS 7 75.727 -0.045 -10.980 44 HB3 LYS 7 HB3 LYS 7 76.436 0.096 -12.587 45 HG2 LYS 7 HG2 LYS 7 77.620 -2.148 -12.028 46 HG3 LYS 7 HG3 LYS 7 76.427 -2.287 -10.741 47 HD2 LYS 7 HD2 LYS 7 75.296 -3.358 -12.462 48 HD3 LYS 7 HD3 LYS 7 74.725 -1.707 -12.694 49 HE2 LYS 7 HE2 LYS 7 76.778 -1.445 -14.265 50 HE3 LYS 7 HE3 LYS 7 76.823 -3.208 -14.256 51 HZ1 LYS 7 HZ1 LYS 7 74.252 -2.818 -14.716 52 HZ2 LYS 7 HZ2 LYS 7 75.401 -2.924 -15.963 53 HZ3 LYS 7 HZ3 LYS 7 74.862 -1.404 -15.428 54 H LYS 8 H LYS 8 78.413 1.607 -13.044 55 HA LYS 8 HA LYS 8 80.088 -0.164 -14.451 56 HB2 LYS 8 HB2 LYS 8 79.046 1.737 -15.546 57 HB3 LYS 8 HB3 LYS 8 79.947 2.858 -14.527 58 HG2 LYS 8 HG2 LYS 8 81.635 0.893 -15.960 59 HG3 LYS 8 HG3 LYS 8 80.774 2.012 -17.013 60 HD2 LYS 8 HD2 LYS 8 82.252 3.051 -14.601 61 HD3 LYS 8 HD3 LYS 8 83.125 2.699 -16.092 62 HE2 LYS 8 HE2 LYS 8 81.911 4.306 -17.326 63 HE3 LYS 8 HE3 LYS 8 80.634 4.402 -16.114 64 HZ1 LYS 8 HZ1 LYS 8 83.023 5.895 -16.289 65 HZ2 LYS 8 HZ2 LYS 8 83.002 5.032 -14.826 66 HZ3 LYS 8 HZ3 LYS 8 81.726 6.086 -15.214 67 H ILE 9 H ILE 9 80.889 2.530 -12.274 68 HA ILE 9 HA ILE 9 83.704 2.231 -12.474 69 HB ILE 9 HB ILE 9 82.022 3.466 -10.284 70 HG12 ILE 9 HG12 ILE 9 83.501 4.844 -12.537 71 HG13 ILE 9 HG13 ILE 9 81.813 4.352 -12.685 72 HG21 ILE 9 HG21 ILE 9 84.971 3.688 -10.958 73 HG22 ILE 9 HG22 ILE 9 84.277 3.003 -9.489 74 HG23 ILE 9 HG23 ILE 9 84.132 4.731 -9.810 75 HD11 ILE 9 HD11 ILE 9 81.251 5.689 -10.682 76 HD12 ILE 9 HD12 ILE 9 81.969 6.694 -11.942 77 HD13 ILE 9 HD13 ILE 9 82.936 6.194 -10.553 78 H PHE 10 H PHE 10 81.278 0.555 -10.673 79 HA PHE 10 HA PHE 10 83.100 -0.452 -8.667 80 HB2 PHE 10 HB2 PHE 10 80.946 -0.336 -7.818 81 HB3 PHE 10 HB1 PHE 10 80.210 -0.871 -9.329 82 HD1 PHE 10 HD1 PHE 10 80.160 -3.241 -9.944 83 HD2 PHE 10 HD2 PHE 10 81.891 -1.938 -6.241 84 HE1 PHE 10 HE1 PHE 10 80.174 -5.583 -9.131 85 HE2 PHE 10 HE2 PHE 10 81.909 -4.278 -5.424 86 HZ PHE 10 HZ PHE 10 81.050 -6.103 -6.873 87 H VAL 11 H VAL 11 81.318 -1.942 -11.390 88 HA VAL 11 HA VAL 11 82.335 -4.517 -11.156 89 HB VAL 11 HB VAL 11 81.836 -4.763 -13.571 90 HG11 VAL 11 HG11 VAL 11 79.488 -4.460 -13.342 91 HG12 VAL 11 HG12 VAL 11 79.697 -3.121 -12.215 92 HG13 VAL 11 HG13 VAL 11 80.082 -4.764 -11.711 93 HG21 VAL 11 HG21 VAL 11 82.615 -2.517 -14.271 94 HG22 VAL 11 HG22 VAL 11 81.268 -1.792 -13.397 95 HG23 VAL 11 HG23 VAL 11 80.958 -2.816 -14.797 96 H GLN 12 H GLN 12 83.789 -1.657 -12.547 97 HA GLN 12 HA GLN 12 86.025 -3.242 -13.595 98 HB2 GLN 12 HB2 GLN 12 86.698 -1.254 -14.744 99 HB3 GLN 12 HB1 GLN 12 84.957 -1.444 -14.956 100 HG2 GLN 12 HG2 GLN 12 84.662 0.100 -12.954 101 HG3 GLN 12 HG1 GLN 12 86.390 0.436 -13.069 102 HE21 GLN 12 HE21 GLN 12 85.650 -0.127 -16.188 103 HE22 GLN 12 HE22 GLN 12 85.209 1.431 -16.690 104 H LYS 13 H LYS 13 85.308 -1.106 -10.911 105 HA LYS 13 HA LYS 13 88.183 -0.851 -10.342 106 HB2 LYS 13 HB2 LYS 13 86.527 1.124 -10.365 107 HB3 LYS 13 HB3 LYS 13 86.026 0.529 -8.782 108 HG2 LYS 13 HG2 LYS 13 88.220 0.814 -7.879 109 HG3 LYS 13 HG3 LYS 13 88.926 1.054 -9.475 110 HD2 LYS 13 HD2 LYS 13 86.758 2.927 -8.586 111 HD3 LYS 13 HD3 LYS 13 88.374 3.132 -7.910 112 HE2 LYS 13 HE2 LYS 13 89.310 3.236 -10.203 113 HE3 LYS 13 HE3 LYS 13 87.683 3.072 -10.865 114 HZ1 LYS 13 HZ1 LYS 13 88.276 5.201 -8.921 115 HZ2 LYS 13 HZ2 LYS 13 87.072 5.145 -10.119 116 HZ3 LYS 13 HZ3 LYS 13 88.694 5.409 -10.552 117 H CYS 14 H CYS 14 85.285 -1.411 -8.266 118 HA CYS 14 HA CYS 14 87.019 -2.629 -6.280 119 HB2 CYS 14 HB2 CYS 14 84.044 -2.537 -6.030 120 HB3 CYS 14 HB1 CYS 14 85.267 -2.409 -4.773 121 H ALA 15 H ALA 15 84.516 -3.808 -8.487 122 HA ALA 15 HA ALA 15 83.973 -6.276 -7.408 123 HB1 ALA 15 HB1 ALA 15 82.797 -5.787 -9.360 124 HB2 ALA 15 HB2 ALA 15 83.911 -7.043 -9.899 125 HB3 ALA 15 HB3 ALA 15 84.256 -5.349 -10.247 126 H GLN 16 H GLN 16 86.933 -5.186 -8.858 127 HA GLN 16 HA GLN 16 88.205 -7.480 -9.638 128 HB2 GLN 16 HB2 GLN 16 89.385 -5.171 -8.090 129 HB3 GLN 16 HB1 GLN 16 90.316 -6.368 -8.987 130 HG2 GLN 16 HG2 GLN 16 88.130 -5.131 -10.544 131 HG3 GLN 16 HG1 GLN 16 89.382 -4.000 -10.046 132 HE21 GLN 16 HE21 GLN 16 90.614 -3.755 -11.947 133 HE22 GLN 16 HE22 GLN 16 91.305 -5.049 -12.803 134 H CYS 17 H CYS 17 88.583 -6.130 -6.326 135 HA CYS 17 HA CYS 17 89.005 -8.912 -5.385 136 HB2 CYS 17 HB2 CYS 17 90.115 -6.713 -3.747 137 HB3 CYS 17 HB1 CYS 17 90.809 -8.278 -4.156 138 H HIS 18 H HSD 18 86.390 -7.999 -5.443 139 HA HIS 18 HA HSD 18 85.770 -8.064 -2.605 140 HB2 HIS 18 HB2 HSD 18 85.145 -5.666 -4.315 141 HB3 HIS 18 HB1 HSD 18 84.166 -6.069 -2.906 142 HD1 HIS 18 HD1 HSD 18 86.638 -7.152 -1.174 143 HD2 HIS 18 HD2 HSD 18 86.428 -3.466 -3.105 144 HE1 HIS 18 HE1 HSD 18 88.280 -5.625 0.012 145 H THR 19 H THR 19 83.189 -7.716 -2.457 146 HA THR 19 HA THR 19 81.905 -9.234 -4.639 147 HB THR 19 HB THR 19 80.758 -10.143 -2.224 148 HG1 THR 19 HG1 THR 19 82.956 -11.090 -1.530 149 HG21 THR 19 HG21 THR 19 81.031 -11.442 -4.295 150 HG22 THR 19 HG22 THR 19 81.726 -12.303 -2.922 151 HG23 THR 19 HG23 THR 19 82.778 -11.459 -4.059 152 H VAL 20 H VAL 20 81.548 -7.258 -1.738 153 HA VAL 20 HA VAL 20 79.823 -5.952 -0.965 154 HB VAL 20 HB VAL 20 79.158 -4.224 -2.509 155 HG11 VAL 20 HG11 VAL 20 81.985 -5.149 -3.108 156 HG12 VAL 20 HG12 VAL 20 81.500 -4.240 -1.678 157 HG13 VAL 20 HG13 VAL 20 81.372 -3.505 -3.276 158 HG21 VAL 20 HG21 VAL 20 80.416 -5.847 -4.724 159 HG22 VAL 20 HG22 VAL 20 79.460 -4.376 -4.869 160 HG23 VAL 20 HG23 VAL 20 78.685 -5.885 -4.401 161 H GLU 21 H GLU 21 78.956 -8.646 -1.632 162 HA GLU 21 HA GLU 21 76.115 -8.028 -2.157 163 HB2 GLU 21 HB2 GLU 21 75.835 -9.909 -3.569 164 HB3 GLU 21 HB3 GLU 21 77.291 -9.104 -4.151 165 HG2 GLU 21 HG2 GLU 21 78.539 -10.715 -2.519 166 HG3 GLU 21 HG3 GLU 21 77.046 -11.651 -2.570 167 H LYS 22 H LYS 22 75.010 -8.473 -0.395 168 HA LYS 22 HA LYS 22 75.852 -9.747 1.877 169 HB2 LYS 22 HB2 LYS 22 73.733 -8.437 1.609 170 HB3 LYS 22 HB3 LYS 22 73.015 -9.842 0.824 171 HG2 LYS 22 HG2 LYS 22 74.327 -10.419 3.420 172 HG3 LYS 22 HG3 LYS 22 72.916 -9.368 3.528 173 HD2 LYS 22 HD2 LYS 22 71.601 -11.032 2.234 174 HD3 LYS 22 HD3 LYS 22 73.008 -12.095 2.201 175 HE2 LYS 22 HE2 LYS 22 72.979 -12.352 4.585 176 HE3 LYS 22 HE3 LYS 22 71.797 -11.057 4.772 177 HZ1 LYS 22 HZ1 LYS 22 70.629 -13.086 4.939 178 HZ2 LYS 22 HZ2 LYS 22 71.382 -13.729 3.557 179 HZ3 LYS 22 HZ3 LYS 22 70.262 -12.459 3.405 180 H GLY 23 H GLY 23 75.819 -11.811 2.701 181 HA2 GLY 23 HA2 GLY 23 75.976 -14.104 2.665 182 HA3 GLY 23 HA3 GLY 23 74.575 -14.057 1.598 183 H GLY 24 H GLY 24 77.545 -12.451 0.716 184 HA2 GLY 24 HA2 GLY 24 77.791 -14.192 -1.615 185 HA3 GLY 24 HA3 GLY 24 78.661 -12.688 -1.331 186 H LYS 25 H LYS 25 80.702 -13.439 -1.702 187 HA LYS 25 HA LYS 25 81.862 -15.088 0.418 188 HB2 LYS 25 HB2 LYS 25 82.556 -15.769 -2.428 189 HB3 LYS 25 HB3 LYS 25 82.769 -16.737 -0.969 190 HG2 LYS 25 HG2 LYS 25 80.300 -16.958 -0.781 191 HG3 LYS 25 HG3 LYS 25 80.121 -16.053 -2.283 192 HD2 LYS 25 HD2 LYS 25 81.902 -18.472 -2.250 193 HD3 LYS 25 HD3 LYS 25 80.155 -18.697 -2.325 194 HE2 LYS 25 HE2 LYS 25 80.029 -17.285 -4.323 195 HE3 LYS 25 HE3 LYS 25 81.763 -16.973 -4.235 196 HZ1 LYS 25 HZ1 LYS 25 80.375 -19.248 -5.274 197 HZ2 LYS 25 HZ2 LYS 25 81.574 -19.687 -4.153 198 HZ3 LYS 25 HZ3 LYS 25 81.981 -18.759 -5.517 199 H HIS 26 H HIS 26 83.320 -13.669 1.178 200 HA HIS 26 HA HIS 26 84.526 -11.578 -0.207 201 HB2 HIS 26 HB2 HIS 26 86.396 -11.984 1.629 202 HB3 HIS 26 HB1 HIS 26 84.801 -11.383 2.080 203 HD1 HIS 26 HD1 HIS 26 85.361 -14.974 1.100 204 HD2 HIS 26 HD2 HIS 26 84.756 -12.742 4.570 205 HE1 HIS 26 HE1 HIS 26 84.939 -16.641 2.960 206 HE2 HIS 26 HE2 HIS 26 84.569 -15.297 5.082 207 H LYS 27 H LYS 27 85.974 -11.523 -1.786 208 HA LYS 27 HA LYS 27 87.795 -13.835 -2.146 209 HB2 LYS 27 HB2 LYS 27 86.294 -12.187 -4.177 210 HB3 LYS 27 HB3 LYS 27 87.732 -13.109 -4.616 211 HG2 LYS 27 HG2 LYS 27 86.667 -15.165 -3.727 212 HG3 LYS 27 HG3 LYS 27 85.218 -14.236 -3.348 213 HD2 LYS 27 HD2 LYS 27 85.158 -13.567 -5.808 214 HD3 LYS 27 HD3 LYS 27 86.391 -14.800 -6.078 215 HE2 LYS 27 HE2 LYS 27 83.547 -15.159 -5.146 216 HE3 LYS 27 HE3 LYS 27 84.375 -15.951 -6.486 217 HZ1 LYS 27 HZ1 LYS 27 84.989 -16.341 -3.607 218 HZ2 LYS 27 HZ2 LYS 27 85.773 -17.110 -4.903 219 HZ3 LYS 27 HZ3 LYS 27 84.135 -17.428 -4.588 220 H THR 28 H THR 28 89.919 -13.390 -2.265 221 HA THR 28 HA THR 28 91.816 -12.109 -1.864 222 HB THR 28 HB THR 28 90.722 -10.598 -4.245 223 HG1 THR 28 HG1 THR 28 92.150 -13.043 -4.139 224 HG21 THR 28 HG21 THR 28 92.714 -9.532 -3.705 225 HG22 THR 28 HG22 THR 28 93.316 -10.818 -4.747 226 HG23 THR 28 HG23 THR 28 93.422 -10.982 -2.996 227 H GLY 29 H GLY 29 89.353 -11.197 -0.499 228 HA2 GLY 29 HA2 GLY 29 90.224 -8.998 0.866 229 HA3 GLY 29 HA3 GLY 29 89.363 -8.318 -0.512 230 HA PRO 30 HA PRO 30 86.442 -9.869 2.959 231 HB2 PRO 30 HB2 PRO 30 85.995 -7.535 4.317 232 HB3 PRO 30 HB1 PRO 30 87.271 -8.686 4.757 233 HG2 PRO 30 HG2 PRO 30 87.469 -6.141 3.217 234 HG3 PRO 30 HG1 PRO 30 88.559 -6.803 4.448 235 HD2 PRO 30 HD2 PRO 30 89.081 -6.971 1.766 236 HD3 PRO 30 HD1 PRO 30 89.647 -8.184 2.937 237 H ASN 31 H ASN 31 84.179 -8.944 3.388 238 HA ASN 31 HA ASN 31 83.129 -7.880 0.861 239 HB2 ASN 31 HB2 ASN 31 81.014 -8.705 1.567 240 HB3 ASN 31 HB1 ASN 31 82.182 -9.948 2.014 241 HD21 ASN 31 HD21 ASN 31 82.423 -10.440 4.245 242 HD22 ASN 31 HD22 ASN 31 81.553 -9.654 5.471 243 H LEU 32 H LEU 32 81.313 -6.266 1.057 244 HA LEU 32 HA LEU 32 81.895 -4.309 3.206 245 HB2 LEU 32 HB2 LEU 32 80.824 -3.634 0.461 246 HB3 LEU 32 HB3 LEU 32 81.406 -2.521 1.692 247 HG LEU 32 HG LEU 32 83.039 -4.483 0.059 248 HD11 LEU 32 HD11 LEU 32 82.769 -1.489 0.231 249 HD12 LEU 32 HD12 LEU 32 82.835 -2.520 -1.196 250 HD13 LEU 32 HD13 LEU 32 84.301 -2.193 -0.279 251 HD21 LEU 32 HD21 LEU 32 84.164 -4.673 2.081 252 HD22 LEU 32 HD22 LEU 32 83.656 -3.085 2.638 253 HD23 LEU 32 HD23 LEU 32 84.936 -3.229 1.441 254 H HIS 33 H HIS 33 79.988 -6.446 3.421 255 HA HIS 33 HA HIS 33 77.346 -5.590 2.839 256 HB2 HIS 33 HB2 HIS 33 78.246 -7.440 5.061 257 HB3 HIS 33 HB1 HIS 33 76.632 -7.343 4.360 258 HD1 HIS 33 HD1 HIS 33 78.913 -9.762 4.294 259 HD2 HIS 33 HD2 HIS 33 77.552 -7.384 1.153 260 HE1 HIS 33 HE1 HIS 33 79.377 -11.053 2.166 261 HE2 HIS 33 HE2 HIS 33 78.549 -9.620 0.241 262 H GLY 34 H GLY 34 75.843 -4.469 4.055 263 HA2 GLY 34 HA2 GLY 34 75.290 -2.651 5.416 264 HA3 GLY 34 HA3 GLY 34 75.679 -3.830 6.666 265 H LEU 35 H LEU 35 78.060 -2.656 4.435 266 HA LEU 35 HA LEU 35 80.054 -2.067 6.196 267 HB2 LEU 35 HB2 LEU 35 80.411 -2.109 3.804 268 HB3 LEU 35 HB3 LEU 35 79.365 -0.711 3.584 269 HG LEU 35 HG LEU 35 81.095 0.406 5.284 270 HD11 LEU 35 HD11 LEU 35 82.282 -1.916 5.369 271 HD12 LEU 35 HD12 LEU 35 83.272 -0.464 5.224 272 HD13 LEU 35 HD13 LEU 35 82.937 -1.446 3.804 273 HD21 LEU 35 HD21 LEU 35 80.570 1.009 2.862 274 HD22 LEU 35 HD22 LEU 35 81.908 -0.044 2.407 275 HD23 LEU 35 HD23 LEU 35 82.206 1.381 3.402 276 H PHE 36 H PHE 36 77.846 0.366 4.823 277 HA PHE 36 HA PHE 36 78.712 2.546 6.306 278 HB2 PHE 36 HB2 PHE 36 75.845 2.079 5.471 279 HB3 PHE 36 HB1 PHE 36 76.665 3.625 5.690 280 HD1 PHE 36 HD2 PHE 36 76.581 0.536 3.606 281 HD2 PHE 36 HD1 PHE 36 77.999 4.582 3.943 282 HE1 PHE 36 HE2 PHE 36 77.351 0.466 1.254 283 HE2 PHE 36 HE1 PHE 36 78.755 4.510 1.594 284 HZ PHE 36 HZ PHE 36 78.437 2.455 0.244 285 H GLY 37 H GLY 37 79.106 2.051 8.485 286 HA2 GLY 37 HA2 GLY 37 77.641 2.763 10.493 287 HA3 GLY 37 HA3 GLY 37 76.761 1.295 10.111 288 H ARG 38 H ARG 38 79.370 -0.074 9.369 289 HA ARG 38 HA ARG 38 79.994 -0.915 12.102 290 HB2 ARG 38 HB2 ARG 38 80.261 -2.074 9.397 291 HB3 ARG 38 HB3 ARG 38 81.554 -2.486 10.523 292 HG2 ARG 38 HG2 ARG 38 79.746 -3.129 12.192 293 HG3 ARG 38 HG3 ARG 38 78.585 -2.966 10.875 294 HD2 ARG 38 HD2 ARG 38 80.996 -4.622 10.317 295 HD3 ARG 38 HD3 ARG 38 79.828 -5.296 11.446 296 HE ARG 38 HE ARG 38 78.177 -4.649 9.498 297 HH11 ARG 38 HH21 ARG 38 81.389 -5.961 9.268 298 HH12 ARG 38 HH22 ARG 38 81.088 -6.774 7.771 299 HH21 ARG 38 HH11 ARG 38 77.790 -5.738 7.551 300 HH22 ARG 38 HH12 ARG 38 79.055 -6.658 6.808 301 H LYS 39 H LYS 39 82.026 -0.933 13.030 302 HA LYS 39 HA LYS 39 83.734 1.255 12.429 303 HB2 LYS 39 HB2 LYS 39 83.822 -1.056 14.330 304 HB3 LYS 39 HB3 LYS 39 85.270 -0.078 14.098 305 HG2 LYS 39 HG2 LYS 39 82.679 1.352 14.559 306 HG3 LYS 39 HG3 LYS 39 83.442 0.563 15.939 307 HD2 LYS 39 HD2 LYS 39 85.518 1.805 15.537 308 HD3 LYS 39 HD3 LYS 39 84.811 2.558 14.108 309 HE2 LYS 39 HE2 LYS 39 82.958 3.404 15.679 310 HE3 LYS 39 HE3 LYS 39 84.033 2.946 17.000 311 HZ1 LYS 39 HZ1 LYS 39 84.086 5.314 15.724 312 HZ2 LYS 39 HZ2 LYS 39 85.308 4.463 14.906 313 HZ3 LYS 39 HZ3 LYS 39 85.386 4.658 16.593 314 H THR 40 H THR 40 86.181 0.908 12.196 315 HA THR 40 HA THR 40 86.669 -0.406 9.725 316 HB THR 40 HB THR 40 89.089 0.161 10.252 317 HG1 THR 40 HG1 THR 40 87.989 1.673 12.349 318 HG21 THR 40 HG21 THR 40 88.634 2.638 10.096 319 HG22 THR 40 HG22 THR 40 86.925 2.275 10.337 320 HG23 THR 40 HG23 THR 40 87.764 1.663 8.912 321 H GLY 41 H GLY 41 87.837 -2.225 9.228 322 HA2 GLY 41 HA2 GLY 41 88.358 -4.453 9.487 323 HA3 GLY 41 HA3 GLY 41 89.390 -3.847 10.779 324 H GLN 42 H GLN 42 85.856 -4.128 10.421 325 HA GLN 42 HA GLN 42 85.807 -5.560 13.012 326 HB2 GLN 42 HB2 GLN 42 84.656 -3.241 12.702 327 HB3 GLN 42 HB1 GLN 42 83.420 -4.159 11.842 328 HG2 GLN 42 HG2 GLN 42 83.407 -5.722 13.893 329 HG3 GLN 42 HG1 GLN 42 84.296 -4.443 14.718 330 HE21 GLN 42 HE21 GLN 42 81.183 -5.234 13.197 331 HE22 GLN 42 HE22 GLN 42 80.332 -3.930 13.874 332 H ALA 43 H ALA 43 85.063 -5.758 9.658 333 HA ALA 43 HA ALA 43 82.982 -7.667 9.746 334 HB1 ALA 43 HB1 ALA 43 83.043 -7.226 7.548 335 HB2 ALA 43 HB2 ALA 43 84.568 -8.102 7.420 336 HB3 ALA 43 HB3 ALA 43 84.571 -6.370 7.752 337 HA PRO 44 HA PRO 44 85.623 -11.051 11.094 338 HB2 PRO 44 HB2 PRO 44 83.702 -12.935 11.388 339 HB3 PRO 44 HB1 PRO 44 83.871 -11.581 12.523 340 HG2 PRO 44 HG2 PRO 44 81.945 -11.935 10.276 341 HG3 PRO 44 HG1 PRO 44 81.676 -11.274 11.898 342 HD2 PRO 44 HD2 PRO 44 82.040 -9.715 9.645 343 HD3 PRO 44 HD1 PRO 44 82.395 -9.168 11.300 344 H GLY 45 H GLY 45 86.910 -12.003 9.603 345 HA2 GLY 45 HA2 GLY 45 86.388 -14.195 8.104 346 HA3 GLY 45 HA3 GLY 45 85.876 -12.885 7.045 347 H PHE 46 H PHE 46 87.462 -11.262 6.453 348 HA PHE 46 HA PHE 46 89.984 -12.424 5.778 349 HB2 PHE 46 HB2 PHE 46 88.683 -10.676 4.450 350 HB3 PHE 46 HB1 PHE 46 89.279 -9.494 5.615 351 HD1 PHE 46 HD1 PHE 46 91.688 -9.004 5.802 352 HD2 PHE 46 HD2 PHE 46 90.170 -11.727 2.847 353 HE1 PHE 46 HE1 PHE 46 93.844 -8.882 4.582 354 HE2 PHE 46 HE2 PHE 46 92.326 -11.605 1.627 355 HZ PHE 46 HZ PHE 46 94.163 -10.182 2.495 356 H THR 47 H THR 47 92.067 -11.769 6.440 357 HA THR 47 HA THR 47 92.268 -11.134 9.241 358 HB THR 47 HB THR 47 94.509 -11.307 7.220 359 HG1 THR 47 HG1 THR 47 94.574 -13.507 7.897 360 HG21 THR 47 HG21 THR 47 94.384 -11.765 10.214 361 HG22 THR 47 HG22 THR 47 95.098 -10.364 9.418 362 HG23 THR 47 HG23 THR 47 95.819 -11.960 9.207 363 H TYR 48 H TYR 48 91.292 -9.028 9.260 364 HA TYR 48 HA TYR 48 92.153 -6.824 7.764 365 HB2 TYR 48 HB2 TYR 48 90.725 -7.197 10.356 366 HB3 TYR 48 HB3 TYR 48 91.341 -5.590 9.986 367 HD1 TYR 48 HD2 TYR 48 90.872 -4.740 7.540 368 HD2 TYR 48 HD1 TYR 48 88.616 -7.805 9.528 369 HE1 TYR 48 HE2 TYR 48 88.971 -4.331 6.007 370 HE2 TYR 48 HE1 TYR 48 86.711 -7.393 7.993 371 HH TYR 48 HH TYR 48 86.133 -4.893 6.427 372 H THR 49 H THR 49 93.519 -5.078 8.287 373 HA THR 49 HA THR 49 95.967 -5.885 9.610 374 HB THR 49 HB THR 49 96.791 -3.670 8.869 375 HG1 THR 49 HG1 THR 49 95.126 -2.328 8.888 376 HG21 THR 49 HG21 THR 49 96.555 -5.779 7.355 377 HG22 THR 49 HG22 THR 49 96.891 -4.228 6.588 378 HG23 THR 49 HG23 THR 49 95.252 -4.877 6.580 379 H ASP 50 H ASP 50 97.022 -4.485 11.225 380 HA ASP 50 HA ASP 50 95.473 -4.127 13.522 381 HB2 ASP 50 HB2 ASP 50 97.434 -2.702 14.296 382 HB3 ASP 50 HB1 ASP 50 97.822 -4.343 13.787 383 H ALA 51 H ALA 51 96.618 -1.723 11.173 384 HA ALA 51 HA ALA 51 95.619 0.584 12.355 385 HB1 ALA 51 HB1 ALA 51 95.502 1.464 9.996 386 HB2 ALA 51 HB2 ALA 51 95.918 -0.159 9.443 387 HB3 ALA 51 HB3 ALA 51 97.051 0.749 10.444 388 H ASN 52 H ASN 52 93.974 -1.784 10.310 389 HA ASN 52 HA ASN 52 91.502 -0.274 10.273 390 HB2 ASN 52 HB2 ASN 52 92.598 -2.648 8.962 391 HB3 ASN 52 HB1 ASN 52 90.921 -2.868 9.444 392 HD21 ASN 52 HD21 ASN 52 90.230 -2.778 7.174 393 HD22 ASN 52 HD22 ASN 52 90.194 -1.299 6.339 394 H LYS 53 H LYS 53 92.945 -2.792 12.189 395 HA LYS 53 HA LYS 53 90.447 -3.520 13.477 396 HB2 LYS 53 HB2 LYS 53 91.819 -5.383 13.331 397 HB3 LYS 53 HB3 LYS 53 93.290 -4.449 13.577 398 HG2 LYS 53 HG2 LYS 53 92.835 -4.201 15.927 399 HG3 LYS 53 HG3 LYS 53 91.221 -4.890 15.737 400 HD2 LYS 53 HD2 LYS 53 92.427 -6.993 14.846 401 HD3 LYS 53 HD3 LYS 53 93.893 -6.284 15.526 402 HE2 LYS 53 HE2 LYS 53 91.348 -6.953 17.033 403 HE3 LYS 53 HE3 LYS 53 92.898 -7.780 17.173 404 HZ1 LYS 53 HZ1 LYS 53 92.043 -5.254 18.294 405 HZ2 LYS 53 HZ2 LYS 53 93.606 -5.245 17.629 406 HZ3 LYS 53 HZ3 LYS 53 93.208 -6.351 18.853 407 H ASN 54 H ASN 54 92.755 -1.102 13.708 408 HA ASN 54 HA ASN 54 92.921 -0.728 16.516 409 HB2 ASN 54 HB2 ASN 54 94.053 1.213 16.010 410 HB3 ASN 54 HB1 ASN 54 94.282 0.319 14.514 411 HD21 ASN 54 HD21 ASN 54 91.588 0.712 13.465 412 HD22 ASN 54 HD22 ASN 54 91.432 2.357 13.082 413 H LYS 55 H LYS 55 90.469 -0.170 14.220 414 HA LYS 55 HA LYS 55 88.367 0.773 14.351 415 HB2 LYS 55 HB2 LYS 55 88.591 0.783 17.346 416 HB3 LYS 55 HB3 LYS 55 87.189 0.437 16.335 417 HG2 LYS 55 HG2 LYS 55 88.663 -1.586 15.496 418 HG3 LYS 55 HG3 LYS 55 89.512 -1.332 17.021 419 HD2 LYS 55 HD2 LYS 55 87.409 -1.567 18.261 420 HD3 LYS 55 HD3 LYS 55 86.522 -1.760 16.748 421 HE2 LYS 55 HE2 LYS 55 87.172 -3.912 18.020 422 HE3 LYS 55 HE3 LYS 55 87.524 -3.854 16.292 423 HZ1 LYS 55 HZ1 LYS 55 89.482 -3.104 18.389 424 HZ2 LYS 55 HZ2 LYS 55 89.778 -3.327 16.731 425 HZ3 LYS 55 HZ3 LYS 55 89.387 -4.657 17.714 426 H GLY 56 H GLY 56 89.843 2.692 13.616 427 HA2 GLY 56 HA2 GLY 56 90.030 4.841 15.577 428 HA3 GLY 56 HA3 GLY 56 90.586 4.898 13.908 429 H ILE 57 H ILE 57 88.254 4.146 12.579 430 HA ILE 57 HA ILE 57 86.224 6.113 13.407 431 HB ILE 57 HB ILE 57 86.094 7.063 11.185 432 HG12 ILE 57 HG12 ILE 57 88.154 6.342 9.646 433 HG13 ILE 57 HG13 ILE 57 88.028 4.846 10.566 434 HG21 ILE 57 HG21 ILE 57 88.963 6.946 12.160 435 HG22 ILE 57 HG22 ILE 57 87.719 8.042 12.762 436 HG23 ILE 57 HG23 ILE 57 88.286 8.181 11.099 437 HD11 ILE 57 HD11 ILE 57 86.004 4.282 9.628 438 HD12 ILE 57 HD12 ILE 57 86.626 5.272 8.313 439 HD13 ILE 57 HD13 ILE 57 85.484 5.958 9.465 440 H THR 58 H THR 58 84.347 5.918 11.621 441 HA THR 58 HA THR 58 83.832 3.024 11.273 442 HB THR 58 HB THR 58 81.954 5.226 12.134 443 HG1 THR 58 HG1 THR 58 83.172 4.215 13.756 444 HG21 THR 58 HG21 THR 58 80.460 4.075 10.825 445 HG22 THR 58 HG22 THR 58 80.433 2.996 12.219 446 HG23 THR 58 HG23 THR 58 81.434 2.606 10.824 447 H TRP 59 H TRP 59 82.955 2.334 9.382 448 HA TRP 59 HA TRP 59 83.286 3.923 7.066 449 HB2 TRP 59 HB2 TRP 59 81.451 1.538 7.206 450 HB3 TRP 59 HB1 TRP 59 82.426 2.102 5.848 451 HD1 TRP 59 HD1 TRP 59 85.210 2.418 7.208 452 HE1 TRP 59 HE1 TRP 59 86.523 0.335 7.990 453 HE3 TRP 59 HE3 TRP 59 81.395 -0.946 7.634 454 HZ2 TRP 59 HZ2 TRP 59 86.010 -2.378 8.732 455 HZ3 TRP 59 HZ3 TRP 59 81.836 -3.268 8.369 456 HH2 TRP 59 HH2 TRP 59 84.138 -3.986 8.920 457 H LYS 60 H LYS 60 81.892 5.160 5.922 458 HA LYS 60 HA LYS 60 79.041 5.139 6.459 459 HB2 LYS 60 HB2 LYS 60 80.780 7.512 7.170 460 HB3 LYS 60 HB3 LYS 60 79.033 7.615 6.964 461 HG2 LYS 60 HG2 LYS 60 78.876 5.710 8.681 462 HG3 LYS 60 HG3 LYS 60 80.572 6.039 9.034 463 HD2 LYS 60 HD2 LYS 60 78.460 8.205 9.091 464 HD3 LYS 60 HD3 LYS 60 78.866 7.243 10.511 465 HE2 LYS 60 HE2 LYS 60 81.271 7.924 10.192 466 HE3 LYS 60 HE3 LYS 60 80.732 9.029 8.927 467 HZ1 LYS 60 HZ1 LYS 60 80.918 9.707 11.490 468 HZ2 LYS 60 HZ2 LYS 60 79.300 9.191 11.447 469 HZ3 LYS 60 HZ3 LYS 60 79.827 10.431 10.412 470 H GLU 61 H GLU 61 78.435 7.605 5.251 471 HA GLU 61 HA GLU 61 78.891 6.918 2.495 472 HB2 GLU 61 HB2 GLU 61 76.761 7.914 3.361 473 HB3 GLU 61 HB3 GLU 61 77.629 9.428 3.619 474 HG2 GLU 61 HG2 GLU 61 78.143 9.604 1.257 475 HG3 GLU 61 HG3 GLU 61 77.467 8.004 0.949 476 H GLU 62 H GLU 62 79.618 9.863 4.395 477 HA GLU 62 HA GLU 62 81.343 10.940 2.392 478 HB2 GLU 62 HB2 GLU 62 80.933 11.614 5.310 479 HB3 GLU 62 HB3 GLU 62 82.023 12.514 4.254 480 HG2 GLU 62 HG2 GLU 62 79.126 12.036 3.540 481 HG3 GLU 62 HG3 GLU 62 79.641 13.435 4.480 482 H THR 63 H THR 63 81.899 9.136 5.395 483 HA THR 63 HA THR 63 84.677 9.344 5.537 484 HB THR 63 HB THR 63 84.616 7.220 6.773 485 HG1 THR 63 HG1 THR 63 82.754 6.594 5.176 486 HG21 THR 63 HG21 THR 63 82.388 9.189 7.281 487 HG22 THR 63 HG22 THR 63 83.968 9.105 8.062 488 HG23 THR 63 HG23 THR 63 82.754 7.869 8.393 489 H LEU 64 H LEU 64 82.617 7.236 3.614 490 HA LEU 64 HA LEU 64 84.694 5.597 2.588 491 HB2 LEU 64 HB2 LEU 64 81.836 5.975 2.123 492 HB3 LEU 64 HB3 LEU 64 82.717 5.623 0.641 493 HG LEU 64 HG LEU 64 83.040 3.988 3.164 494 HD11 LEU 64 HD11 LEU 64 80.903 4.001 1.144 495 HD12 LEU 64 HD12 LEU 64 80.934 3.261 2.741 496 HD13 LEU 64 HD13 LEU 64 81.649 2.420 1.366 497 HD21 LEU 64 HD21 LEU 64 84.556 4.127 0.821 498 HD22 LEU 64 HD22 LEU 64 83.506 2.737 0.550 499 HD23 LEU 64 HD23 LEU 64 84.551 2.790 1.969 500 H MET 65 H MET 65 83.221 8.634 1.524 501 HA MET 65 HA MET 65 84.341 8.791 -1.036 502 HB2 MET 65 HB2 MET 65 83.794 11.041 0.910 503 HB3 MET 65 HB1 MET 65 84.082 11.237 -0.818 504 HG2 MET 65 HG2 MET 65 82.108 9.968 -1.366 505 HG3 MET 65 HG1 MET 65 81.874 9.512 0.320 506 HE1 MET 65 HE1 MET 65 81.803 12.242 -2.351 507 HE2 MET 65 HE2 MET 65 80.322 13.064 -1.866 508 HE3 MET 65 HE3 MET 65 80.291 11.335 -2.205 509 H GLU 66 H GLU 66 85.621 10.261 1.957 510 HA GLU 66 HA GLU 66 88.059 11.112 0.836 511 HB2 GLU 66 HB2 GLU 66 87.504 10.311 3.703 512 HB3 GLU 66 HB3 GLU 66 88.831 11.328 3.142 513 HG2 GLU 66 HG2 GLU 66 87.083 12.893 2.179 514 HG3 GLU 66 HG3 GLU 66 85.871 11.945 3.040 515 H TYR 67 H TYR 67 86.980 8.052 2.091 516 HA TYR 67 HA TYR 67 89.608 6.862 2.199 517 HB2 TYR 67 HB2 TYR 67 87.993 5.984 3.712 518 HB3 TYR 67 HB3 TYR 67 86.805 5.781 2.431 519 HD1 TYR 67 HD2 TYR 67 87.070 4.000 0.728 520 HD2 TYR 67 HD1 TYR 67 89.749 4.367 4.065 521 HE1 TYR 67 HE2 TYR 67 87.891 1.696 0.321 522 HE2 TYR 67 HE1 TYR 67 90.568 2.061 3.661 523 HH TYR 67 HH TYR 67 90.182 0.435 0.889 524 H LEU 68 H LEU 68 87.102 7.285 -0.157 525 HA LEU 68 HA LEU 68 87.982 5.180 -1.910 526 HB2 LEU 68 HB2 LEU 68 85.942 7.368 -2.032 527 HB3 LEU 68 HB3 LEU 68 86.462 6.630 -3.541 528 HG LEU 68 HG LEU 68 85.319 5.154 -1.148 529 HD11 LEU 68 HD11 LEU 68 83.465 4.665 -2.756 530 HD12 LEU 68 HD12 LEU 68 84.210 5.786 -3.896 531 HD13 LEU 68 HD13 LEU 68 83.605 6.374 -2.353 532 HD21 LEU 68 HD21 LEU 68 86.495 3.433 -2.054 533 HD22 LEU 68 HD22 LEU 68 86.732 4.263 -3.590 534 HD23 LEU 68 HD23 LEU 68 85.214 3.435 -3.264 535 H GLU 69 H GLU 69 88.821 8.520 -1.414 536 HA GLU 69 HA GLU 69 90.229 8.638 -3.993 537 HB2 GLU 69 HB2 GLU 69 90.405 10.964 -3.680 538 HB3 GLU 69 HB3 GLU 69 88.806 10.563 -3.061 539 HG2 GLU 69 HG2 GLU 69 89.867 10.384 -0.760 540 HG3 GLU 69 HG3 GLU 69 91.320 11.090 -1.464 541 H ASN 70 H ASN 70 90.799 7.689 -0.856 542 HA ASN 70 HA ASN 70 93.601 7.346 -1.303 543 HB2 ASN 70 HB2 ASN 70 94.409 8.760 0.538 544 HB3 ASN 70 HB1 ASN 70 93.649 9.725 -0.724 545 HD21 ASN 70 HD21 ASN 70 93.215 8.495 2.586 546 HD22 ASN 70 HD22 ASN 70 91.927 9.531 2.976 547 HA PRO 71 HA PRO 71 91.149 4.472 1.537 548 HB2 PRO 71 HB2 PRO 71 92.980 2.640 0.041 549 HB3 PRO 71 HB1 PRO 71 91.274 2.421 0.474 550 HG2 PRO 71 HG2 PRO 71 92.028 3.051 -2.010 551 HG3 PRO 71 HG1 PRO 71 90.523 3.663 -1.301 552 HD2 PRO 71 HD2 PRO 71 93.066 5.110 -1.848 553 HD3 PRO 71 HD1 PRO 71 91.405 5.735 -1.767 554 H LYS 72 H LYS 72 94.588 4.718 0.721 555 HA LYS 72 HA LYS 72 95.441 3.391 3.142 556 HB2 LYS 72 HB2 LYS 72 96.724 3.210 1.044 557 HB3 LYS 72 HB3 LYS 72 97.035 4.940 1.092 558 HG2 LYS 72 HG2 LYS 72 98.980 4.041 2.055 559 HG3 LYS 72 HG3 LYS 72 98.018 4.480 3.462 560 HD2 LYS 72 HD2 LYS 72 98.953 2.231 3.749 561 HD3 LYS 72 HD3 LYS 72 97.199 2.139 3.619 562 HE2 LYS 72 HE2 LYS 72 97.276 1.047 1.604 563 HE3 LYS 72 HE3 LYS 72 98.696 1.939 1.056 564 HZ1 LYS 72 HZ1 LYS 72 98.532 -0.501 2.655 565 HZ2 LYS 72 HZ2 LYS 72 99.803 0.573 2.995 566 HZ3 LYS 72 HZ3 LYS 72 99.630 -0.078 1.435 567 H LYS 73 H LYS 73 95.605 6.745 1.909 568 HA LYS 73 HA LYS 73 96.909 7.812 4.146 569 HB2 LYS 73 HB2 LYS 73 96.333 8.870 1.806 570 HB3 LYS 73 HB3 LYS 73 94.894 9.448 2.642 571 HG2 LYS 73 HG2 LYS 73 97.511 9.853 4.030 572 HG3 LYS 73 HG3 LYS 73 97.196 10.847 2.612 573 HD2 LYS 73 HD2 LYS 73 95.047 10.580 4.694 574 HD3 LYS 73 HD3 LYS 73 96.408 11.656 5.003 575 HE2 LYS 73 HE2 LYS 73 94.866 11.781 2.411 576 HE3 LYS 73 HE3 LYS 73 94.342 12.674 3.838 577 HZ1 LYS 73 HZ1 LYS 73 96.346 13.879 3.887 578 HZ2 LYS 73 HZ2 LYS 73 95.847 13.897 2.262 579 HZ3 LYS 73 HZ3 LYS 73 97.094 12.856 2.759 580 H TYR 74 H TYR 74 93.542 7.023 3.618 581 HA TYR 74 HA TYR 74 92.479 8.537 5.775 582 HB2 TYR 74 HB2 TYR 74 91.330 7.203 3.754 583 HB3 TYR 74 HB3 TYR 74 91.179 5.967 5.001 584 HD1 TYR 74 HD1 TYR 74 90.782 9.695 4.697 585 HD2 TYR 74 HD2 TYR 74 89.216 6.012 6.262 586 HE1 TYR 74 HE1 TYR 74 88.866 10.926 5.679 587 HE2 TYR 74 HE2 TYR 74 87.302 7.244 7.243 588 HH TYR 74 HH TYR 74 87.067 9.969 8.007 589 H ILE 75 H ILE 75 93.180 5.044 5.519 590 HA ILE 75 HA ILE 75 93.697 5.025 8.436 591 HB ILE 75 HB ILE 75 92.358 2.812 6.860 592 HG12 ILE 75 HG12 ILE 75 91.074 4.540 8.981 593 HG13 ILE 75 HG13 ILE 75 91.043 5.015 7.285 594 HG21 ILE 75 HG21 ILE 75 93.105 3.204 9.765 595 HG22 ILE 75 HG22 ILE 75 93.523 1.858 8.705 596 HG23 ILE 75 HG23 ILE 75 91.864 2.052 9.271 597 HD11 ILE 75 HD11 ILE 75 89.896 2.982 6.662 598 HD12 ILE 75 HD12 ILE 75 89.021 3.701 8.014 599 HD13 ILE 75 HD13 ILE 75 90.087 2.322 8.286 600 HA PRO 76 HA PRO 76 97.453 3.803 5.855 601 HB2 PRO 76 HB2 PRO 76 98.506 4.604 8.551 602 HB3 PRO 76 HB1 PRO 76 99.186 4.912 6.939 603 HG2 PRO 76 HG2 PRO 76 97.874 6.805 8.290 604 HG3 PRO 76 HG1 PRO 76 97.768 6.669 6.526 605 HD2 PRO 76 HD2 PRO 76 95.715 6.044 8.577 606 HD3 PRO 76 HD1 PRO 76 95.506 6.456 6.862 607 H GLY 77 H GLY 77 98.030 1.712 5.773 608 HA2 GLY 77 HA2 GLY 77 99.103 -0.160 6.977 609 HA3 GLY 77 HA3 GLY 77 97.920 0.093 8.257 610 H THR 78 H THR 78 95.751 0.622 6.332 611 HA THR 78 HA THR 78 94.626 -1.919 6.131 612 HB THR 78 HB THR 78 93.380 0.236 5.969 613 HG1 THR 78 HG1 THR 78 92.881 -2.006 4.862 614 HG21 THR 78 HG21 THR 78 93.403 1.508 3.961 615 HG22 THR 78 HG22 THR 78 94.287 0.254 3.090 616 HG23 THR 78 HG23 THR 78 95.098 1.201 4.339 617 H LYS 79 H LYS 79 94.626 -3.511 4.596 618 HA LYS 79 HA LYS 79 96.732 -3.372 2.591 619 HB2 LYS 79 HB2 LYS 79 96.387 -5.419 3.935 620 HB3 LYS 79 HB3 LYS 79 94.791 -5.610 3.212 621 HG2 LYS 79 HG2 LYS 79 95.643 -6.456 1.283 622 HG3 LYS 79 HG3 LYS 79 96.903 -5.227 1.203 623 HD2 LYS 79 HD2 LYS 79 97.984 -7.370 1.458 624 HD3 LYS 79 HD3 LYS 79 98.153 -6.506 2.985 625 HE2 LYS 79 HE2 LYS 79 95.996 -7.723 3.706 626 HE3 LYS 79 HE3 LYS 79 96.276 -8.775 2.319 627 HZ1 LYS 79 HZ1 LYS 79 98.681 -8.812 3.391 628 HZ2 LYS 79 HZ2 LYS 79 97.464 -9.904 3.853 629 HZ3 LYS 79 HZ3 LYS 79 97.783 -8.530 4.802 630 H MET 80 H MET 80 95.997 -1.879 1.073 631 HA MET 80 HA MET 80 94.448 -2.897 -1.054 632 HB2 MET 80 HB2 MET 80 92.518 -2.534 0.380 633 HB3 MET 80 HB1 MET 80 93.033 -0.879 0.707 634 HG2 MET 80 HG2 MET 80 92.691 -0.237 -1.591 635 HG3 MET 80 HG1 MET 80 92.433 -1.912 -2.077 636 HE1 MET 80 HE1 MET 80 90.846 1.087 -2.023 637 HE2 MET 80 HE2 MET 80 89.153 0.609 -2.030 638 HE3 MET 80 HE3 MET 80 90.279 -0.151 -3.151 639 H ILE 81 H ILE 81 95.998 -2.118 -2.407 640 HA ILE 81 HA ILE 81 96.178 0.818 -2.653 641 HB ILE 81 HB ILE 81 98.512 -1.110 -2.796 642 HG12 ILE 81 HG12 ILE 81 99.213 0.626 -0.887 643 HG13 ILE 81 HG13 ILE 81 97.466 0.780 -0.708 644 HG21 ILE 81 HG21 ILE 81 98.898 0.615 -4.390 645 HG22 ILE 81 HG22 ILE 81 99.774 1.121 -2.946 646 HG23 ILE 81 HG23 ILE 81 98.215 1.851 -3.333 647 HD11 ILE 81 HD11 ILE 81 97.643 -1.911 -0.790 648 HD12 ILE 81 HD12 ILE 81 97.790 -1.001 0.712 649 HD13 ILE 81 HD13 ILE 81 99.237 -1.546 -0.132 650 H PHE 82 H PHE 82 94.651 0.548 -4.375 651 HA PHE 82 HA PHE 82 95.775 -0.696 -6.817 652 HB2 PHE 82 HB2 PHE 82 93.691 -1.746 -6.148 653 HB3 PHE 82 HB1 PHE 82 92.900 -0.174 -6.026 654 HD1 PHE 82 HD2 PHE 82 94.598 -2.479 -8.423 655 HD2 PHE 82 HD1 PHE 82 91.934 0.855 -7.928 656 HE1 PHE 82 HE2 PHE 82 94.019 -2.583 -10.833 657 HE2 PHE 82 HE1 PHE 82 91.355 0.750 -10.337 658 HZ PHE 82 HZ PHE 82 92.398 -0.969 -11.790 659 H ALA 83 H ALA 83 93.279 1.769 -6.195 660 HA ALA 83 HA ALA 83 94.755 3.968 -7.184 661 HB1 ALA 83 HB1 ALA 83 93.506 4.231 -9.361 662 HB2 ALA 83 HB2 ALA 83 92.963 2.564 -9.175 663 HB3 ALA 83 HB3 ALA 83 94.683 2.919 -9.342 664 H GLY 84 H GLY 84 93.827 5.533 -6.044 665 HA2 GLY 84 HA2 GLY 84 91.194 5.392 -4.989 666 HA3 GLY 84 HA3 GLY 84 92.237 6.809 -4.972 667 H ILE 85 H ILE 85 89.658 7.324 -5.309 668 HA ILE 85 HA ILE 85 88.927 7.385 -8.122 669 HB ILE 85 HB ILE 85 87.627 8.470 -5.622 670 HG12 ILE 85 HG12 ILE 85 87.752 5.913 -6.288 671 HG13 ILE 85 HG13 ILE 85 86.238 6.597 -5.710 672 HG21 ILE 85 HG21 ILE 85 86.899 9.954 -7.315 673 HG22 ILE 85 HG22 ILE 85 85.628 8.734 -7.232 674 HG23 ILE 85 HG23 ILE 85 86.824 8.671 -8.524 675 HD11 ILE 85 HD11 ILE 85 86.197 5.153 -7.875 676 HD12 ILE 85 HD12 ILE 85 86.859 6.589 -8.654 677 HD13 ILE 85 HD13 ILE 85 85.292 6.667 -7.852 678 H LYS 86 H LYS 86 88.348 9.429 -9.196 679 HA LYS 86 HA LYS 86 90.340 11.505 -8.585 680 HB2 LYS 86 HB2 LYS 86 90.461 10.640 -10.830 681 HB3 LYS 86 HB3 LYS 86 88.736 10.905 -11.077 682 HG2 LYS 86 HG2 LYS 86 89.007 13.294 -10.972 683 HG3 LYS 86 HG3 LYS 86 90.683 13.137 -10.444 684 HD2 LYS 86 HD2 LYS 86 91.446 12.582 -12.557 685 HD3 LYS 86 HD3 LYS 86 89.919 11.838 -13.030 686 HE2 LYS 86 HE2 LYS 86 88.886 14.111 -13.121 687 HE3 LYS 86 HE3 LYS 86 90.467 14.810 -12.771 688 HZ1 LYS 86 HZ1 LYS 86 90.302 12.900 -14.971 689 HZ2 LYS 86 HZ2 LYS 86 91.255 14.299 -14.814 690 HZ3 LYS 86 HZ3 LYS 86 89.611 14.428 -15.226 691 H LYS 87 H LYS 87 87.080 11.629 -10.063 692 HA LYS 87 HA LYS 87 86.628 14.223 -8.831 693 HB2 LYS 87 HB2 LYS 87 84.857 12.549 -10.627 694 HB3 LYS 87 HB3 LYS 87 84.529 14.207 -10.126 695 HG2 LYS 87 HG2 LYS 87 87.066 14.483 -11.095 696 HG3 LYS 87 HG3 LYS 87 86.475 13.185 -12.128 697 HD2 LYS 87 HD2 LYS 87 84.997 15.797 -11.684 698 HD3 LYS 87 HD3 LYS 87 86.072 15.495 -13.046 699 HE2 LYS 87 HE2 LYS 87 83.914 13.491 -12.522 700 HE3 LYS 87 HE3 LYS 87 83.449 15.037 -13.227 701 HZ1 LYS 87 HZ1 LYS 87 83.988 13.391 -14.921 702 HZ2 LYS 87 HZ2 LYS 87 85.558 13.237 -14.287 703 HZ3 LYS 87 HZ3 LYS 87 85.057 14.706 -14.977 704 H LYS 88 H LYS 88 84.578 14.702 -7.720 705 HA LYS 88 HA LYS 88 84.193 12.946 -5.506 706 HB2 LYS 88 HB2 LYS 88 83.920 15.464 -5.481 707 HB3 LYS 88 HB3 LYS 88 82.393 15.229 -6.331 708 HG2 LYS 88 HG2 LYS 88 81.834 13.557 -4.413 709 HG3 LYS 88 HG3 LYS 88 83.149 14.350 -3.547 710 HD2 LYS 88 HD2 LYS 88 81.362 15.666 -2.868 711 HD3 LYS 88 HD3 LYS 88 81.880 16.559 -4.298 712 HE2 LYS 88 HE2 LYS 88 80.214 15.081 -5.601 713 HE3 LYS 88 HE3 LYS 88 79.555 14.652 -4.023 714 HZ1 LYS 88 HZ1 LYS 88 78.837 16.814 -5.463 715 HZ2 LYS 88 HZ2 LYS 88 79.973 17.477 -4.388 716 HZ3 LYS 88 HZ3 LYS 88 78.617 16.647 -3.789 717 H THR 89 H THR 89 82.044 13.908 -8.202 718 HA THR 89 HA THR 89 79.850 12.343 -7.586 719 HB THR 89 HB THR 89 79.382 12.289 -10.021 720 HG1 THR 89 HG1 THR 89 81.392 13.885 -10.777 721 HG21 THR 89 HG21 THR 89 80.384 14.911 -8.879 722 HG22 THR 89 HG22 THR 89 78.750 14.262 -8.749 723 HG23 THR 89 HG23 THR 89 79.373 14.776 -10.317 724 H GLU 90 H GLU 90 82.957 11.376 -8.833 725 HA GLU 90 HA GLU 90 82.184 8.786 -9.745 726 HB2 GLU 90 HB2 GLU 90 84.821 10.017 -8.952 727 HB3 GLU 90 HB3 GLU 90 84.694 8.314 -9.386 728 HG2 GLU 90 HG2 GLU 90 83.941 8.827 -11.585 729 HG3 GLU 90 HG3 GLU 90 83.632 10.511 -11.163 730 H ARG 91 H ARG 91 83.217 10.160 -6.685 731 HA ARG 91 HA ARG 91 83.370 7.622 -5.313 732 HB2 ARG 91 HB2 ARG 91 83.188 10.438 -4.196 733 HB3 ARG 91 HB3 ARG 91 83.624 8.990 -3.290 734 HG2 ARG 91 HG2 ARG 91 85.534 8.667 -4.909 735 HG3 ARG 91 HG3 ARG 91 85.165 10.262 -5.561 736 HD2 ARG 91 HD2 ARG 91 85.271 10.492 -2.711 737 HD3 ARG 91 HD3 ARG 91 86.708 9.618 -3.233 738 HE ARG 91 HE ARG 91 86.544 11.734 -4.968 739 HH11 ARG 91 HH21 ARG 91 86.573 11.328 -1.530 740 HH12 ARG 91 HH22 ARG 91 87.330 12.854 -1.219 741 HH21 ARG 91 HH11 ARG 91 87.536 13.736 -4.565 742 HH22 ARG 91 HH12 ARG 91 87.876 14.216 -2.936 743 H GLU 92 H GLU 92 81.103 10.380 -5.314 744 HA GLU 92 HA GLU 92 79.232 9.310 -3.522 745 HB2 GLU 92 HB2 GLU 92 79.348 11.685 -4.498 746 HB3 GLU 92 HB3 GLU 92 78.477 11.029 -5.885 747 HG2 GLU 92 HG2 GLU 92 76.775 10.119 -4.209 748 HG3 GLU 92 HG3 GLU 92 77.565 11.134 -3.003 749 H ASP 93 H ASP 93 79.213 9.234 -7.103 750 HA ASP 93 HA ASP 93 76.936 7.618 -7.390 751 HB2 ASP 93 HB2 ASP 93 79.384 7.725 -9.171 752 HB3 ASP 93 HB1 ASP 93 77.801 7.097 -9.626 753 H LEU 94 H LEU 94 80.375 6.741 -7.167 754 HA LEU 94 HA LEU 94 80.064 3.955 -7.408 755 HB2 LEU 94 HB2 LEU 94 82.261 5.024 -7.573 756 HB3 LEU 94 HB3 LEU 94 82.147 5.543 -5.894 757 HG LEU 94 HG LEU 94 82.147 3.241 -5.120 758 HD11 LEU 94 HD11 LEU 94 81.001 1.990 -6.726 759 HD12 LEU 94 HD12 LEU 94 82.670 1.498 -7.015 760 HD13 LEU 94 HD13 LEU 94 81.909 2.692 -8.066 761 HD21 LEU 94 HD21 LEU 94 84.320 4.460 -5.778 762 HD22 LEU 94 HD22 LEU 94 84.324 3.429 -7.207 763 HD23 LEU 94 HD23 LEU 94 84.408 2.709 -5.601 764 H ILE 95 H ILE 95 79.819 6.136 -4.671 765 HA ILE 95 HA ILE 95 79.649 4.035 -2.736 766 HB ILE 95 HB ILE 95 79.242 7.010 -2.625 767 HG12 ILE 95 HG12 ILE 95 81.137 5.346 -0.986 768 HG13 ILE 95 HG13 ILE 95 81.503 5.650 -2.679 769 HG21 ILE 95 HG21 ILE 95 78.477 4.905 -0.630 770 HG22 ILE 95 HG22 ILE 95 77.696 6.445 -0.982 771 HG23 ILE 95 HG23 ILE 95 79.181 6.409 -0.032 772 HD11 ILE 95 HD11 ILE 95 82.296 7.311 -0.737 773 HD12 ILE 95 HD12 ILE 95 80.700 7.996 -1.034 774 HD13 ILE 95 HD13 ILE 95 81.872 7.884 -2.346 775 H ALA 96 H ALA 96 77.425 5.819 -4.710 776 HA ALA 96 HA ALA 96 75.051 5.243 -3.259 777 HB1 ALA 96 HB1 ALA 96 73.936 5.693 -5.474 778 HB2 ALA 96 HB2 ALA 96 75.545 5.858 -6.180 779 HB3 ALA 96 HB3 ALA 96 75.011 6.980 -4.927 780 H TYR 97 H TYR 97 76.953 3.548 -5.673 781 HA TYR 97 HA TYR 97 75.034 1.433 -6.050 782 HB2 TYR 97 HB2 TYR 97 76.564 1.912 -7.862 783 HB3 TYR 97 HB3 TYR 97 77.956 1.667 -6.805 784 HD1 TYR 97 HD1 TYR 97 75.006 -0.048 -8.308 785 HD2 TYR 97 HD2 TYR 97 78.828 -0.509 -6.406 786 HE1 TYR 97 HE1 TYR 97 74.958 -2.477 -8.797 787 HE2 TYR 97 HE2 TYR 97 78.780 -2.938 -6.897 788 HH TYR 97 HH TYR 97 75.928 -4.462 -8.340 789 H LEU 98 H LEU 98 78.064 1.866 -4.240 790 HA LEU 98 HA LEU 98 78.303 -0.729 -3.226 791 HB2 LEU 98 HB2 LEU 98 79.192 1.966 -2.238 792 HB3 LEU 98 HB3 LEU 98 79.461 0.532 -1.256 793 HG LEU 98 HG LEU 98 80.279 0.529 -4.156 794 HD11 LEU 98 HD11 LEU 98 81.260 2.566 -3.050 795 HD12 LEU 98 HD12 LEU 98 82.452 1.398 -3.603 796 HD13 LEU 98 HD13 LEU 98 82.039 1.489 -1.891 797 HD21 LEU 98 HD21 LEU 98 81.448 -0.778 -1.684 798 HD22 LEU 98 HD22 LEU 98 81.873 -1.127 -3.360 799 HD23 LEU 98 HD23 LEU 98 80.276 -1.555 -2.746 800 H LYS 99 H LYS 99 76.107 1.826 -2.436 801 HA LYS 99 HA LYS 99 75.375 0.796 0.162 802 HB2 LYS 99 HB2 LYS 99 74.317 2.958 -1.640 803 HB3 LYS 99 HB3 LYS 99 73.387 2.428 -0.238 804 HG2 LYS 99 HG2 LYS 99 75.328 2.891 1.222 805 HG3 LYS 99 HG3 LYS 99 76.245 3.435 -0.181 806 HD2 LYS 99 HD2 LYS 99 75.324 5.380 0.963 807 HD3 LYS 99 HD3 LYS 99 74.516 5.187 -0.591 808 HE2 LYS 99 HE2 LYS 99 72.524 4.459 0.380 809 HE3 LYS 99 HE3 LYS 99 73.327 3.886 1.842 810 HZ1 LYS 99 HZ1 LYS 99 73.865 6.562 1.768 811 HZ2 LYS 99 HZ2 LYS 99 72.705 5.799 2.747 812 HZ3 LYS 99 HZ3 LYS 99 72.251 6.466 1.252 813 H LYS 100 H LYS 100 73.734 0.980 -3.001 814 HA LYS 100 HA LYS 100 71.577 -0.716 -2.169 815 HB2 LYS 100 HB2 LYS 100 72.490 0.298 -4.863 816 HB3 LYS 100 HB3 LYS 100 71.084 -0.748 -4.663 817 HG2 LYS 100 HG2 LYS 100 70.154 0.917 -3.028 818 HG3 LYS 100 HG3 LYS 100 71.500 1.986 -3.421 819 HD2 LYS 100 HD2 LYS 100 70.771 1.748 -5.870 820 HD3 LYS 100 HD3 LYS 100 69.281 1.041 -5.242 821 HE2 LYS 100 HE2 LYS 100 69.020 3.106 -3.801 822 HE3 LYS 100 HE3 LYS 100 70.368 3.813 -4.690 823 HZ1 LYS 100 HZ1 LYS 100 67.878 4.124 -5.453 824 HZ2 LYS 100 HZ2 LYS 100 68.187 2.655 -6.247 825 HZ3 LYS 100 HZ3 LYS 100 69.148 4.018 -6.571 826 H ALA 101 H ALA 101 74.759 -1.261 -3.283 827 HA ALA 101 HA ALA 101 74.232 -3.929 -4.320 828 HB1 ALA 101 HB1 ALA 101 76.655 -4.011 -4.694 829 HB2 ALA 101 HB2 ALA 101 76.849 -2.488 -3.825 830 HB3 ALA 101 HB3 ALA 101 75.973 -2.525 -5.356 831 H THR 102 H THR 102 75.380 -2.390 -1.397 832 HA THR 102 HA THR 102 76.180 -4.947 -0.214 833 HB THR 102 HB THR 102 76.823 -3.526 1.733 834 HG1 THR 102 HG1 THR 102 75.265 -1.797 0.433 835 HG21 THR 102 HG21 THR 102 77.841 -2.920 -1.037 836 HG22 THR 102 HG22 THR 102 78.576 -3.920 0.214 837 HG23 THR 102 HG23 THR 102 78.565 -2.165 0.384 838 H ASN 103 H ASN 103 73.378 -3.292 -0.687 839 HA ASN 103 HA ASN 103 72.172 -3.974 1.904 840 HB2 ASN 103 HB2 ASN 103 71.333 -2.287 -0.441 841 HB3 ASN 103 HB1 ASN 103 70.160 -2.811 0.760 842 HD21 ASN 103 HD21 ASN 103 73.495 -2.187 1.697 843 HD22 ASN 103 HD22 ASN 103 73.171 -0.766 2.565 844 H GLU 104 H GLU 104 72.336 -5.002 -1.396 845 HA GLU 104 HA GLU 104 70.812 -7.392 -0.772 846 HB2 GLU 104 HB2 GLU 104 69.253 -7.083 -2.692 847 HB3 GLU 104 HB3 GLU 104 68.993 -5.910 -1.400 848 HG2 GLU 104 HG2 GLU 104 70.305 -4.238 -2.625 849 HG3 GLU 104 HG3 GLU 104 70.630 -5.408 -3.903 850 HHA HEC 201 HA HEC 105 89.328 -3.490 3.205 851 HHB HEC 201 HB HEC 105 85.556 0.066 -0.412 852 HHC HEC 201 HC HEC 105 88.810 -1.716 -5.535 853 HHD HEC 201 HD HEC 105 92.184 -5.717 -1.979 854 HMA1 HEC 201 HMA1 HEC 105 84.644 -0.130 1.579 855 HMA2 HEC 201 HMA2 HEC 105 85.793 0.886 2.450 856 HMA3 HEC 201 HMA3 HEC 105 85.053 -0.500 3.251 857 HAA1 HEC 201 HAA1 HEC 105 86.857 -0.965 4.511 858 HAA2 HEC 201 HAA2 HEC 105 88.368 -1.851 4.475 859 HBA1 HEC 201 HBA1 HEC 105 87.291 -3.938 4.511 860 HBA2 HEC 201 HBA2 HEC 105 85.747 -3.253 4.011 861 HMB1 HEC 201 HMB1 HEC 105 84.839 1.267 -3.910 862 HMB2 HEC 201 HMB2 HEC 105 85.073 1.510 -2.182 863 HMB3 HEC 201 HMB3 HEC 105 84.112 0.152 -2.760 864 HAB HEC 201 HAB HEC 105 87.334 -0.482 -6.182 865 HBB1 HEC 201 HBB1 HEC 105 87.991 1.735 -5.812 866 HBB2 HEC 201 HBB2 HEC 105 86.389 1.927 -6.522 867 HBB3 HEC 201 HBB3 HEC 105 86.608 2.080 -4.780 868 HMC1 HEC 201 HMC1 HEC 105 91.338 -2.541 -6.646 869 HMC2 HEC 201 HMC2 HEC 105 89.752 -3.273 -6.880 870 HMC3 HEC 201 HMC3 HEC 105 91.196 -4.276 -6.910 871 HAC HEC 201 HAC HEC 105 92.639 -6.130 -3.902 872 HBC1 HEC 201 HBC1 HEC 105 94.361 -5.503 -5.248 873 HBC2 HEC 201 HBC2 HEC 105 93.587 -3.919 -5.247 874 HBC3 HEC 201 HBC3 HEC 105 93.286 -5.049 -6.567 875 HMD1 HEC 201 HMD1 HEC 105 92.313 -7.450 0.472 876 HMD2 HEC 201 HMD2 HEC 105 93.304 -6.437 1.521 877 HMD3 HEC 201 HMD3 HEC 105 93.402 -6.251 -0.226 878 HAD1 HEC 201 HAD1 HEC 105 91.896 -6.256 3.189 879 HAD2 HEC 201 HAD2 HEC 105 90.385 -5.520 3.682 880 HBD1 HEC 201 HBD1 HEC 105 91.524 -3.344 3.924 881 HBD2 HEC 201 HBD2 HEC 105 93.044 -4.095 3.451 882 H1 HOH 301 H2 HOH 200 79.924 3.542 -0.527 883 H2 HOH 301 H1 HOH 200 80.561 2.175 -0.642 884 H1 HOH 302 H2 HOH 201 85.584 4.959 6.613 885 H2 HOH 302 H1 HOH 201 86.349 5.065 5.314 886 H1 HOH 303 H2 HOH 202 82.752 -5.334 4.990 887 H2 HOH 303 H1 HOH 202 82.050 -5.452 6.326 888 H1 HOH 304 H2 HOH 203 80.654 -11.031 -0.330 889 H2 HOH 304 H1 HOH 203 80.797 -9.524 -0.292 Start of MODEL 26 1 H1 GLY 1 H1 GLY 1 74.146 8.893 -4.529 2 H2 GLY 1 H2 GLY 1 73.002 8.059 -5.469 3 H3 GLY 1 H3 GLY 1 72.830 9.728 -5.197 4 HA2 GLY 1 HA2 GLY 1 74.302 10.301 -6.777 5 HA3 GLY 1 HA3 GLY 1 75.331 8.913 -6.423 6 H ASP 2 H ASP 2 75.459 8.579 -8.741 7 HA ASP 2 HA ASP 2 73.002 7.658 -10.062 8 HB2 ASP 2 HB2 ASP 2 75.797 8.187 -11.082 9 HB3 ASP 2 HB1 ASP 2 74.503 7.517 -12.073 10 H VAL 3 H VAL 3 72.714 5.729 -8.882 11 HA VAL 3 HA VAL 3 74.497 3.704 -8.374 12 HB VAL 3 HB VAL 3 72.136 3.674 -7.669 13 HG11 VAL 3 HG11 VAL 3 70.363 3.215 -9.216 14 HG12 VAL 3 HG12 VAL 3 71.501 2.877 -10.519 15 HG13 VAL 3 HG13 VAL 3 71.311 4.524 -9.921 16 HG21 VAL 3 HG21 VAL 3 73.479 1.556 -7.796 17 HG22 VAL 3 HG22 VAL 3 72.810 1.274 -9.403 18 HG23 VAL 3 HG23 VAL 3 71.748 1.293 -7.996 19 H GLU 4 H GLU 4 73.405 4.850 -11.428 20 HA GLU 4 HA GLU 4 73.892 2.455 -12.931 21 HB2 GLU 4 HB2 GLU 4 73.745 5.340 -13.838 22 HB3 GLU 4 HB3 GLU 4 73.718 3.930 -14.897 23 HG2 GLU 4 HG2 GLU 4 71.657 3.140 -13.851 24 HG3 GLU 4 HG3 GLU 4 71.700 4.475 -12.701 25 H LYS 5 H LYS 5 75.676 5.555 -12.781 26 HA LYS 5 HA LYS 5 77.976 4.442 -14.087 27 HB2 LYS 5 HB2 LYS 5 77.440 7.039 -12.645 28 HB3 LYS 5 HB3 LYS 5 79.046 6.629 -13.248 29 HG2 LYS 5 HG2 LYS 5 78.241 6.462 -15.511 30 HG3 LYS 5 HG3 LYS 5 76.564 6.591 -14.983 31 HD2 LYS 5 HD2 LYS 5 78.451 8.804 -14.252 32 HD3 LYS 5 HD3 LYS 5 77.869 8.718 -15.914 33 HE2 LYS 5 HE2 LYS 5 75.614 8.978 -15.269 34 HE3 LYS 5 HE3 LYS 5 75.950 8.549 -13.593 35 HZ1 LYS 5 HZ1 LYS 5 76.632 10.615 -13.106 36 HZ2 LYS 5 HZ2 LYS 5 75.720 11.056 -14.472 37 HZ3 LYS 5 HZ3 LYS 5 77.401 10.844 -14.601 38 H GLY 6 H GLY 6 76.792 4.470 -10.885 39 HA2 GLY 6 HA2 GLY 6 79.299 4.233 -9.518 40 HA3 GLY 6 HA3 GLY 6 77.712 3.818 -8.863 41 H LYS 7 H LYS 7 76.961 2.052 -10.962 42 HA LYS 7 HA LYS 7 78.124 -0.375 -10.025 43 HB2 LYS 7 HB2 LYS 7 75.775 -0.109 -10.905 44 HB3 LYS 7 HB3 LYS 7 76.465 0.030 -12.521 45 HG2 LYS 7 HG2 LYS 7 77.706 -2.244 -11.477 46 HG3 LYS 7 HG3 LYS 7 76.055 -2.361 -10.878 47 HD2 LYS 7 HD2 LYS 7 76.026 -3.448 -12.995 48 HD3 LYS 7 HD3 LYS 7 75.297 -1.868 -13.274 49 HE2 LYS 7 HE2 LYS 7 77.154 -1.064 -14.432 50 HE3 LYS 7 HE3 LYS 7 78.263 -2.185 -13.643 51 HZ1 LYS 7 HZ1 LYS 7 76.178 -3.430 -15.210 52 HZ2 LYS 7 HZ2 LYS 7 77.836 -3.787 -15.123 53 HZ3 LYS 7 HZ3 LYS 7 77.289 -2.518 -16.110 54 H LYS 8 H LYS 8 78.446 1.554 -12.998 55 HA LYS 8 HA LYS 8 80.103 -0.217 -14.421 56 HB2 LYS 8 HB2 LYS 8 79.066 1.676 -15.517 57 HB3 LYS 8 HB3 LYS 8 79.949 2.803 -14.488 58 HG2 LYS 8 HG2 LYS 8 81.680 0.873 -15.904 59 HG3 LYS 8 HG3 LYS 8 80.796 1.956 -16.976 60 HD2 LYS 8 HD2 LYS 8 82.347 2.963 -14.577 61 HD3 LYS 8 HD3 LYS 8 83.081 2.786 -16.170 62 HE2 LYS 8 HE2 LYS 8 80.960 4.182 -16.947 63 HE3 LYS 8 HE3 LYS 8 80.961 4.704 -15.263 64 HZ1 LYS 8 HZ1 LYS 8 82.978 5.723 -15.478 65 HZ2 LYS 8 HZ2 LYS 8 82.349 5.972 -17.038 66 HZ3 LYS 8 HZ3 LYS 8 83.481 4.735 -16.763 67 H ILE 9 H ILE 9 80.943 2.480 -12.256 68 HA ILE 9 HA ILE 9 83.753 2.162 -12.488 69 HB ILE 9 HB ILE 9 82.102 3.418 -10.288 70 HG12 ILE 9 HG12 ILE 9 83.588 4.785 -12.540 71 HG13 ILE 9 HG13 ILE 9 81.900 4.301 -12.697 72 HG21 ILE 9 HG21 ILE 9 84.260 4.681 -9.887 73 HG22 ILE 9 HG22 ILE 9 85.052 3.528 -10.961 74 HG23 ILE 9 HG23 ILE 9 84.318 2.972 -9.458 75 HD11 ILE 9 HD11 ILE 9 82.957 6.060 -10.466 76 HD12 ILE 9 HD12 ILE 9 81.269 5.678 -10.800 77 HD13 ILE 9 HD13 ILE 9 82.186 6.675 -11.928 78 H PHE 10 H PHE 10 81.336 0.511 -10.661 79 HA PHE 10 HA PHE 10 83.158 -0.502 -8.659 80 HB2 PHE 10 HB2 PHE 10 81.000 -0.364 -7.813 81 HB3 PHE 10 HB1 PHE 10 80.265 -0.911 -9.320 82 HD1 PHE 10 HD1 PHE 10 80.225 -3.287 -9.919 83 HD2 PHE 10 HD2 PHE 10 81.913 -1.955 -6.207 84 HE1 PHE 10 HE1 PHE 10 80.218 -5.619 -9.086 85 HE2 PHE 10 HE2 PHE 10 81.909 -4.290 -5.369 86 HZ PHE 10 HZ PHE 10 81.062 -6.123 -6.812 87 H VAL 11 H VAL 11 81.364 -1.985 -11.378 88 HA VAL 11 HA VAL 11 82.373 -4.565 -11.134 89 HB VAL 11 HB VAL 11 81.845 -4.825 -13.542 90 HG11 VAL 11 HG11 VAL 11 79.731 -3.180 -12.150 91 HG12 VAL 11 HG12 VAL 11 80.116 -4.830 -11.665 92 HG13 VAL 11 HG13 VAL 11 79.496 -4.508 -13.285 93 HG21 VAL 11 HG21 VAL 11 80.950 -2.884 -14.764 94 HG22 VAL 11 HG22 VAL 11 82.612 -2.579 -14.259 95 HG23 VAL 11 HG23 VAL 11 81.273 -1.855 -13.372 96 H GLN 12 H GLN 12 83.824 -1.723 -12.570 97 HA GLN 12 HA GLN 12 86.033 -3.329 -13.641 98 HB2 GLN 12 HB2 GLN 12 86.727 -1.332 -14.775 99 HB3 GLN 12 HB1 GLN 12 84.988 -1.521 -14.994 100 HG2 GLN 12 HG2 GLN 12 84.680 0.016 -12.992 101 HG3 GLN 12 HG1 GLN 12 86.411 0.346 -13.086 102 HE21 GLN 12 HE21 GLN 12 85.716 -0.196 -16.214 103 HE22 GLN 12 HE22 GLN 12 85.281 1.364 -16.714 104 H LYS 13 H LYS 13 85.370 -1.191 -10.949 105 HA LYS 13 HA LYS 13 88.253 -0.987 -10.387 106 HB2 LYS 13 HB2 LYS 13 86.638 1.020 -10.399 107 HB3 LYS 13 HB3 LYS 13 86.113 0.422 -8.825 108 HG2 LYS 13 HG2 LYS 13 87.836 1.866 -8.209 109 HG3 LYS 13 HG3 LYS 13 88.700 0.333 -8.320 110 HD2 LYS 13 HD2 LYS 13 90.097 1.683 -9.593 111 HD3 LYS 13 HD3 LYS 13 89.021 1.084 -10.855 112 HE2 LYS 13 HE2 LYS 13 89.113 3.436 -11.189 113 HE3 LYS 13 HE3 LYS 13 87.572 3.150 -10.379 114 HZ1 LYS 13 HZ1 LYS 13 90.096 4.131 -9.176 115 HZ2 LYS 13 HZ2 LYS 13 88.777 3.597 -8.249 116 HZ3 LYS 13 HZ3 LYS 13 88.609 4.941 -9.273 117 H CYS 14 H CYS 14 85.353 -1.480 -8.302 118 HA CYS 14 HA CYS 14 87.046 -2.722 -6.312 119 HB2 CYS 14 HB2 CYS 14 84.068 -2.657 -6.110 120 HB3 CYS 14 HB1 CYS 14 85.271 -2.514 -4.834 121 H ALA 15 H ALA 15 84.538 -3.921 -8.521 122 HA ALA 15 HA ALA 15 84.048 -6.394 -7.441 123 HB1 ALA 15 HB1 ALA 15 82.837 -5.919 -9.377 124 HB2 ALA 15 HB2 ALA 15 83.953 -7.170 -9.924 125 HB3 ALA 15 HB3 ALA 15 84.281 -5.476 -10.287 126 H GLN 16 H GLN 16 86.989 -5.272 -8.927 127 HA GLN 16 HA GLN 16 88.268 -7.578 -9.691 128 HB2 GLN 16 HB2 GLN 16 89.308 -5.101 -8.338 129 HB3 GLN 16 HB1 GLN 16 90.387 -6.407 -8.826 130 HG2 GLN 16 HG2 GLN 16 89.650 -6.213 -11.137 131 HG3 GLN 16 HG1 GLN 16 88.446 -5.008 -10.687 132 HE21 GLN 16 HE21 GLN 16 89.562 -3.059 -9.366 133 HE22 GLN 16 HE22 GLN 16 90.992 -2.470 -10.064 134 H CYS 17 H CYS 17 88.488 -6.178 -6.391 135 HA CYS 17 HA CYS 17 88.936 -8.929 -5.383 136 HB2 CYS 17 HB2 CYS 17 90.128 -6.723 -3.820 137 HB3 CYS 17 HB1 CYS 17 90.782 -8.306 -4.210 138 H HIS 18 H HSD 18 86.364 -8.092 -5.432 139 HA HIS 18 HA HSD 18 85.744 -7.948 -2.602 140 HB2 HIS 18 HB2 HSD 18 85.187 -5.653 -4.454 141 HB3 HIS 18 HB1 HSD 18 84.086 -5.994 -3.122 142 HD1 HIS 18 HD1 HSD 18 85.018 -5.734 -0.695 143 HD2 HIS 18 HD2 HSD 18 87.713 -4.645 -3.676 144 HE1 HIS 18 HE1 HSD 18 86.886 -4.468 0.458 145 H THR 19 H THR 19 83.155 -7.600 -2.495 146 HA THR 19 HA THR 19 81.874 -9.221 -4.596 147 HB THR 19 HB THR 19 80.805 -10.067 -2.097 148 HG1 THR 19 HG1 THR 19 83.297 -10.969 -1.871 149 HG21 THR 19 HG21 THR 19 80.899 -11.401 -4.160 150 HG22 THR 19 HG22 THR 19 81.678 -12.259 -2.831 151 HG23 THR 19 HG23 THR 19 82.659 -11.452 -4.055 152 H VAL 20 H VAL 20 81.536 -7.182 -1.736 153 HA VAL 20 HA VAL 20 79.777 -5.917 -0.954 154 HB VAL 20 HB VAL 20 79.156 -4.170 -2.471 155 HG11 VAL 20 HG11 VAL 20 81.534 -4.303 -1.697 156 HG12 VAL 20 HG12 VAL 20 81.353 -3.471 -3.240 157 HG13 VAL 20 HG13 VAL 20 81.936 -5.134 -3.197 158 HG21 VAL 20 HG21 VAL 20 80.304 -5.841 -4.715 159 HG22 VAL 20 HG22 VAL 20 79.439 -4.314 -4.849 160 HG23 VAL 20 HG23 VAL 20 78.579 -5.770 -4.366 161 H GLU 21 H GLU 21 79.020 -8.656 -1.940 162 HA GLU 21 HA GLU 21 76.159 -8.078 -2.447 163 HB2 GLU 21 HB2 GLU 21 75.978 -9.996 -3.816 164 HB3 GLU 21 HB3 GLU 21 77.464 -9.207 -4.340 165 HG2 GLU 21 HG2 GLU 21 78.623 -10.756 -2.591 166 HG3 GLU 21 HG3 GLU 21 77.133 -11.695 -2.683 167 H LYS 22 H LYS 22 74.985 -8.481 -0.713 168 HA LYS 22 HA LYS 22 75.771 -9.683 1.629 169 HB2 LYS 22 HB2 LYS 22 73.696 -8.374 1.363 170 HB3 LYS 22 HB3 LYS 22 72.979 -9.705 0.459 171 HG2 LYS 22 HG2 LYS 22 74.136 -10.449 3.092 172 HG3 LYS 22 HG3 LYS 22 72.728 -9.394 3.167 173 HD2 LYS 22 HD2 LYS 22 72.611 -11.769 1.338 174 HD3 LYS 22 HD3 LYS 22 72.456 -12.042 3.072 175 HE2 LYS 22 HE2 LYS 22 70.253 -11.683 1.934 176 HE3 LYS 22 HE3 LYS 22 70.579 -10.504 3.203 177 HZ1 LYS 22 HZ1 LYS 22 71.343 -8.953 1.520 178 HZ2 LYS 22 HZ2 LYS 22 69.748 -9.442 1.201 179 HZ3 LYS 22 HZ3 LYS 22 71.034 -10.087 0.298 180 H GLY 23 H GLY 23 75.635 -11.723 2.530 181 HA2 GLY 23 HA2 GLY 23 75.772 -14.018 2.572 182 HA3 GLY 23 HA3 GLY 23 74.429 -13.990 1.432 183 H GLY 24 H GLY 24 77.425 -12.423 0.618 184 HA2 GLY 24 HA2 GLY 24 77.790 -14.279 -1.609 185 HA3 GLY 24 HA3 GLY 24 78.625 -12.748 -1.373 186 H LYS 25 H LYS 25 80.703 -13.409 -1.561 187 HA LYS 25 HA LYS 25 81.804 -14.928 0.669 188 HB2 LYS 25 HB2 LYS 25 83.169 -16.293 -1.075 189 HB3 LYS 25 HB3 LYS 25 81.516 -16.794 -0.718 190 HG2 LYS 25 HG2 LYS 25 80.684 -15.661 -2.696 191 HG3 LYS 25 HG3 LYS 25 82.274 -14.969 -3.017 192 HD2 LYS 25 HD2 LYS 25 83.211 -17.122 -3.505 193 HD3 LYS 25 HD3 LYS 25 81.779 -17.951 -2.896 194 HE2 LYS 25 HE2 LYS 25 81.632 -16.018 -5.212 195 HE3 LYS 25 HE3 LYS 25 81.982 -17.729 -5.449 196 HZ1 LYS 25 HZ1 LYS 25 79.689 -16.997 -3.782 197 HZ2 LYS 25 HZ2 LYS 25 79.908 -18.347 -4.790 198 HZ3 LYS 25 HZ3 LYS 25 79.537 -16.833 -5.464 199 H HIS 26 H HIS 26 83.372 -13.639 1.384 200 HA HIS 26 HA HIS 26 84.509 -11.501 0.012 201 HB2 HIS 26 HB2 HIS 26 86.473 -11.988 1.747 202 HB3 HIS 26 HB1 HIS 26 84.916 -11.349 2.272 203 HD1 HIS 26 HD1 HIS 26 83.184 -13.136 3.248 204 HD2 HIS 26 HD2 HIS 26 87.075 -14.538 2.725 205 HE1 HIS 26 HE1 HIS 26 83.358 -15.282 4.581 206 HE2 HIS 26 HE2 HIS 26 85.724 -16.149 4.273 207 H LYS 27 H LYS 27 85.799 -11.434 -1.685 208 HA LYS 27 HA LYS 27 87.586 -13.735 -2.230 209 HB2 LYS 27 HB2 LYS 27 85.720 -13.297 -3.883 210 HB3 LYS 27 HB3 LYS 27 86.511 -11.765 -4.253 211 HG2 LYS 27 HG2 LYS 27 88.625 -13.092 -4.726 212 HG3 LYS 27 HG3 LYS 27 87.643 -14.552 -4.614 213 HD2 LYS 27 HD2 LYS 27 86.774 -12.316 -6.434 214 HD3 LYS 27 HD3 LYS 27 88.030 -13.434 -6.962 215 HE2 LYS 27 HE2 LYS 27 85.388 -14.407 -5.863 216 HE3 LYS 27 HE3 LYS 27 85.621 -14.061 -7.575 217 HZ1 LYS 27 HZ1 LYS 27 86.123 -16.424 -6.493 218 HZ2 LYS 27 HZ2 LYS 27 87.651 -15.707 -6.303 219 HZ3 LYS 27 HZ3 LYS 27 86.955 -15.836 -7.848 220 H THR 28 H THR 28 89.705 -13.340 -2.178 221 HA THR 28 HA THR 28 91.637 -12.128 -1.742 222 HB THR 28 HB THR 28 90.643 -10.596 -4.153 223 HG1 THR 28 HG1 THR 28 91.897 -13.122 -3.918 224 HG21 THR 28 HG21 THR 28 92.645 -9.574 -3.524 225 HG22 THR 28 HG22 THR 28 93.227 -10.836 -4.605 226 HG23 THR 28 HG23 THR 28 93.315 -11.064 -2.861 227 H GLY 29 H GLY 29 89.173 -11.120 -0.434 228 HA2 GLY 29 HA2 GLY 29 90.131 -8.916 0.904 229 HA3 GLY 29 HA3 GLY 29 89.234 -8.256 -0.461 230 HA PRO 30 HA PRO 30 86.429 -9.723 3.151 231 HB2 PRO 30 HB2 PRO 30 86.018 -7.326 4.427 232 HB3 PRO 30 HB1 PRO 30 87.285 -8.478 4.890 233 HG2 PRO 30 HG2 PRO 30 87.492 -5.996 3.255 234 HG3 PRO 30 HG1 PRO 30 88.597 -6.632 4.486 235 HD2 PRO 30 HD2 PRO 30 89.070 -6.896 1.809 236 HD3 PRO 30 HD1 PRO 30 89.624 -8.090 3.004 237 H ASN 31 H ASN 31 84.158 -9.029 3.474 238 HA ASN 31 HA ASN 31 83.041 -7.972 0.994 239 HB2 ASN 31 HB2 ASN 31 80.955 -8.819 1.773 240 HB3 ASN 31 HB1 ASN 31 82.159 -10.024 2.229 241 HD21 ASN 31 HD21 ASN 31 83.063 -7.919 4.390 242 HD22 ASN 31 HD22 ASN 31 81.951 -8.179 5.646 243 H LEU 32 H LEU 32 81.296 -6.329 1.104 244 HA LEU 32 HA LEU 32 81.831 -4.335 3.230 245 HB2 LEU 32 HB2 LEU 32 80.809 -3.732 0.449 246 HB3 LEU 32 HB3 LEU 32 81.357 -2.582 1.663 247 HG LEU 32 HG LEU 32 83.026 -4.557 0.086 248 HD11 LEU 32 HD11 LEU 32 84.313 -2.349 -0.300 249 HD12 LEU 32 HD12 LEU 32 82.886 -1.548 0.353 250 HD13 LEU 32 HD13 LEU 32 82.758 -2.523 -1.109 251 HD21 LEU 32 HD21 LEU 32 83.602 -3.170 2.684 252 HD22 LEU 32 HD22 LEU 32 84.904 -3.348 1.516 253 HD23 LEU 32 HD23 LEU 32 84.088 -4.772 2.146 254 H HIS 33 H HIS 33 79.911 -6.485 3.417 255 HA HIS 33 HA HIS 33 77.280 -5.641 2.803 256 HB2 HIS 33 HB2 HIS 33 78.227 -7.457 5.036 257 HB3 HIS 33 HB1 HIS 33 76.568 -7.323 4.453 258 HD1 HIS 33 HD1 HIS 33 78.068 -10.019 4.262 259 HD2 HIS 33 HD2 HIS 33 77.951 -7.214 1.181 260 HE1 HIS 33 HE1 HIS 33 78.529 -11.289 2.121 261 HE2 HIS 33 HE2 HIS 33 78.458 -9.594 0.232 262 H GLY 34 H GLY 34 75.776 -4.465 3.958 263 HA2 GLY 34 HA2 GLY 34 75.233 -2.595 5.258 264 HA3 GLY 34 HA3 GLY 34 75.548 -3.761 6.540 265 H LEU 35 H LEU 35 78.024 -2.668 4.365 266 HA LEU 35 HA LEU 35 79.987 -2.111 6.165 267 HB2 LEU 35 HB2 LEU 35 80.401 -2.141 3.785 268 HB3 LEU 35 HB3 LEU 35 79.368 -0.737 3.545 269 HG LEU 35 HG LEU 35 81.087 0.349 5.301 270 HD11 LEU 35 HD11 LEU 35 83.261 -0.522 5.217 271 HD12 LEU 35 HD12 LEU 35 82.926 -1.462 3.769 272 HD13 LEU 35 HD13 LEU 35 82.271 -1.978 5.321 273 HD21 LEU 35 HD21 LEU 35 80.562 1.034 2.912 274 HD22 LEU 35 HD22 LEU 35 81.869 -0.035 2.404 275 HD23 LEU 35 HD23 LEU 35 82.215 1.353 3.437 276 H PHE 36 H PHE 36 77.843 0.361 4.760 277 HA PHE 36 HA PHE 36 78.700 2.524 6.271 278 HB2 PHE 36 HB2 PHE 36 75.836 2.093 5.414 279 HB3 PHE 36 HB1 PHE 36 76.681 3.625 5.629 280 HD1 PHE 36 HD2 PHE 36 76.552 0.531 3.556 281 HD2 PHE 36 HD1 PHE 36 78.036 4.552 3.886 282 HE1 PHE 36 HE2 PHE 36 77.327 0.442 1.205 283 HE2 PHE 36 HE1 PHE 36 78.797 4.463 1.539 284 HZ PHE 36 HZ PHE 36 78.447 2.410 0.193 285 H GLY 37 H GLY 37 79.068 1.973 8.448 286 HA2 GLY 37 HA2 GLY 37 77.577 2.685 10.445 287 HA3 GLY 37 HA3 GLY 37 76.699 1.222 10.036 288 H ARG 38 H ARG 38 79.320 -0.137 9.307 289 HA ARG 38 HA ARG 38 79.885 -1.045 12.021 290 HB2 ARG 38 HB2 ARG 38 80.263 -2.106 9.294 291 HB3 ARG 38 HB3 ARG 38 81.532 -2.530 10.442 292 HG2 ARG 38 HG2 ARG 38 79.696 -3.264 12.037 293 HG3 ARG 38 HG3 ARG 38 78.563 -3.072 10.698 294 HD2 ARG 38 HD2 ARG 38 81.017 -4.678 10.160 295 HD3 ARG 38 HD3 ARG 38 79.809 -5.405 11.213 296 HE ARG 38 HE ARG 38 78.285 -4.599 9.158 297 HH11 ARG 38 HH21 ARG 38 81.346 -6.230 9.268 298 HH12 ARG 38 HH22 ARG 38 81.084 -7.100 7.795 299 HH21 ARG 38 HH11 ARG 38 77.939 -5.757 7.241 300 HH22 ARG 38 HH12 ARG 38 79.157 -6.840 6.655 301 H LYS 39 H LYS 39 81.997 -1.281 12.880 302 HA LYS 39 HA LYS 39 83.662 1.030 12.454 303 HB2 LYS 39 HB2 LYS 39 83.139 -0.019 14.691 304 HB3 LYS 39 HB3 LYS 39 84.190 -1.352 14.232 305 HG2 LYS 39 HG2 LYS 39 85.653 0.029 15.421 306 HG3 LYS 39 HG3 LYS 39 85.952 0.530 13.764 307 HD2 LYS 39 HD2 LYS 39 85.707 2.524 15.108 308 HD3 LYS 39 HD3 LYS 39 84.275 2.385 14.093 309 HE2 LYS 39 HE2 LYS 39 82.891 1.921 15.877 310 HE3 LYS 39 HE3 LYS 39 84.154 1.084 16.778 311 HZ1 LYS 39 HZ1 LYS 39 84.410 2.936 17.938 312 HZ2 LYS 39 HZ2 LYS 39 83.346 3.796 16.930 313 HZ3 LYS 39 HZ3 LYS 39 84.996 3.697 16.540 314 H THR 40 H THR 40 85.919 0.994 11.960 315 HA THR 40 HA THR 40 86.661 -0.413 9.700 316 HB THR 40 HB THR 40 89.040 0.208 10.409 317 HG1 THR 40 HG1 THR 40 87.570 1.504 12.457 318 HG21 THR 40 HG21 THR 40 86.878 2.329 10.334 319 HG22 THR 40 HG22 THR 40 87.689 1.623 8.937 320 HG23 THR 40 HG23 THR 40 88.596 2.623 10.071 321 H GLY 41 H GLY 41 87.790 -2.237 9.246 322 HA2 GLY 41 HA2 GLY 41 88.354 -4.451 9.534 323 HA3 GLY 41 HA3 GLY 41 89.383 -3.805 10.808 324 H GLN 42 H GLN 42 85.854 -4.199 10.483 325 HA GLN 42 HA GLN 42 85.879 -5.626 13.082 326 HB2 GLN 42 HB2 GLN 42 84.687 -3.357 12.891 327 HB3 GLN 42 HB1 GLN 42 83.491 -4.203 11.911 328 HG2 GLN 42 HG2 GLN 42 84.310 -5.232 14.631 329 HG3 GLN 42 HG1 GLN 42 83.043 -4.023 14.451 330 HE21 GLN 42 HE21 GLN 42 81.656 -4.872 12.205 331 HE22 GLN 42 HE22 GLN 42 81.028 -6.429 12.457 332 H ALA 43 H ALA 43 85.078 -5.824 9.737 333 HA ALA 43 HA ALA 43 83.050 -7.787 9.853 334 HB1 ALA 43 HB1 ALA 43 83.066 -7.295 7.664 335 HB2 ALA 43 HB2 ALA 43 84.569 -8.201 7.497 336 HB3 ALA 43 HB3 ALA 43 84.615 -6.471 7.834 337 HA PRO 44 HA PRO 44 85.786 -11.119 11.140 338 HB2 PRO 44 HB2 PRO 44 83.911 -13.048 11.452 339 HB3 PRO 44 HB1 PRO 44 84.067 -11.696 12.593 340 HG2 PRO 44 HG2 PRO 44 82.113 -12.081 10.375 341 HG3 PRO 44 HG1 PRO 44 81.857 -11.431 12.003 342 HD2 PRO 44 HD2 PRO 44 82.153 -9.858 9.749 343 HD3 PRO 44 HD1 PRO 44 82.517 -9.308 11.400 344 H GLY 45 H GLY 45 87.058 -12.185 9.723 345 HA2 GLY 45 HA2 GLY 45 86.542 -14.325 8.185 346 HA3 GLY 45 HA3 GLY 45 86.023 -13.012 7.131 347 H PHE 46 H PHE 46 87.585 -11.442 6.455 348 HA PHE 46 HA PHE 46 90.129 -12.584 5.839 349 HB2 PHE 46 HB2 PHE 46 89.002 -11.031 4.313 350 HB3 PHE 46 HB1 PHE 46 89.131 -9.746 5.514 351 HD1 PHE 46 HD2 PHE 46 90.990 -11.873 3.145 352 HD2 PHE 46 HD1 PHE 46 91.268 -8.695 6.021 353 HE1 PHE 46 HE2 PHE 46 93.272 -11.338 2.334 354 HE2 PHE 46 HE1 PHE 46 93.550 -8.161 5.211 355 HZ PHE 46 HZ PHE 46 94.552 -9.483 3.368 356 H THR 47 H THR 47 92.206 -11.760 6.419 357 HA THR 47 HA THR 47 92.403 -11.083 9.217 358 HB THR 47 HB THR 47 94.608 -11.257 7.155 359 HG1 THR 47 HG1 THR 47 93.154 -13.148 7.520 360 HG21 THR 47 HG21 THR 47 94.581 -11.479 10.177 361 HG22 THR 47 HG22 THR 47 95.256 -10.147 9.239 362 HG23 THR 47 HG23 THR 47 95.994 -11.745 9.155 363 H TYR 48 H TYR 48 91.372 -9.014 9.230 364 HA TYR 48 HA TYR 48 92.121 -6.802 7.685 365 HB2 TYR 48 HB2 TYR 48 90.769 -7.200 10.309 366 HB3 TYR 48 HB3 TYR 48 91.355 -5.581 9.947 367 HD1 TYR 48 HD2 TYR 48 90.780 -4.633 7.596 368 HD2 TYR 48 HD1 TYR 48 88.693 -7.894 9.452 369 HE1 TYR 48 HE2 TYR 48 88.836 -4.226 6.119 370 HE2 TYR 48 HE1 TYR 48 86.743 -7.486 7.974 371 HH TYR 48 HH TYR 48 86.277 -4.700 6.285 372 H THR 49 H THR 49 93.455 -5.009 8.155 373 HA THR 49 HA THR 49 95.968 -5.737 9.382 374 HB THR 49 HB THR 49 96.697 -3.501 8.653 375 HG1 THR 49 HG1 THR 49 94.115 -3.156 7.580 376 HG21 THR 49 HG21 THR 49 96.069 -3.804 6.177 377 HG22 THR 49 HG22 THR 49 95.138 -5.204 6.708 378 HG23 THR 49 HG23 THR 49 96.882 -5.157 6.965 379 H ASP 50 H ASP 50 97.017 -4.416 11.037 380 HA ASP 50 HA ASP 50 95.479 -4.128 13.359 381 HB2 ASP 50 HB2 ASP 50 98.029 -2.606 12.855 382 HB3 ASP 50 HB1 ASP 50 97.419 -3.244 14.381 383 H ALA 51 H ALA 51 96.538 -1.708 10.994 384 HA ALA 51 HA ALA 51 95.617 0.585 12.318 385 HB1 ALA 51 HB1 ALA 51 95.545 1.607 10.055 386 HB2 ALA 51 HB2 ALA 51 95.795 0.008 9.354 387 HB3 ALA 51 HB3 ALA 51 97.047 0.734 10.361 388 H ASN 52 H ASN 52 93.946 -1.728 10.248 389 HA ASN 52 HA ASN 52 91.471 -0.218 10.260 390 HB2 ASN 52 HB2 ASN 52 92.565 -2.535 8.875 391 HB3 ASN 52 HB1 ASN 52 90.924 -2.843 9.433 392 HD21 ASN 52 HD21 ASN 52 90.142 -2.762 7.189 393 HD22 ASN 52 HD22 ASN 52 89.986 -1.276 6.382 394 H LYS 53 H LYS 53 92.967 -2.741 12.104 395 HA LYS 53 HA LYS 53 90.512 -3.512 13.457 396 HB2 LYS 53 HB2 LYS 53 91.788 -5.400 13.452 397 HB3 LYS 53 HB3 LYS 53 93.287 -4.498 13.269 398 HG2 LYS 53 HG2 LYS 53 93.291 -3.957 15.660 399 HG3 LYS 53 HG3 LYS 53 91.739 -4.773 15.863 400 HD2 LYS 53 HD2 LYS 53 92.922 -6.851 14.885 401 HD3 LYS 53 HD3 LYS 53 94.424 -5.984 15.209 402 HE2 LYS 53 HE2 LYS 53 93.751 -5.737 17.583 403 HE3 LYS 53 HE3 LYS 53 92.284 -6.655 17.251 404 HZ1 LYS 53 HZ1 LYS 53 93.595 -8.357 17.887 405 HZ2 LYS 53 HZ2 LYS 53 95.038 -7.566 17.468 406 HZ3 LYS 53 HZ3 LYS 53 94.094 -8.309 16.267 407 H ASN 54 H ASN 54 92.800 -1.073 13.651 408 HA ASN 54 HA ASN 54 93.034 -0.700 16.449 409 HB2 ASN 54 HB2 ASN 54 94.076 1.291 15.919 410 HB3 ASN 54 HB1 ASN 54 94.308 0.394 14.422 411 HD21 ASN 54 HD21 ASN 54 91.583 0.673 13.428 412 HD22 ASN 54 HD22 ASN 54 91.352 2.308 13.038 413 H LYS 55 H LYS 55 90.496 -0.197 14.230 414 HA LYS 55 HA LYS 55 88.375 0.690 14.432 415 HB2 LYS 55 HB2 LYS 55 89.009 0.233 17.354 416 HB3 LYS 55 HB3 LYS 55 87.419 0.696 16.754 417 HG2 LYS 55 HG2 LYS 55 87.540 -1.335 15.220 418 HG3 LYS 55 HG3 LYS 55 88.956 -1.837 16.145 419 HD2 LYS 55 HD2 LYS 55 86.213 -1.285 17.319 420 HD3 LYS 55 HD3 LYS 55 86.879 -2.888 17.007 421 HE2 LYS 55 HE2 LYS 55 87.403 -2.577 19.267 422 HE3 LYS 55 HE3 LYS 55 88.887 -2.050 18.474 423 HZ1 LYS 55 HZ1 LYS 55 87.272 -0.579 20.176 424 HZ2 LYS 55 HZ2 LYS 55 87.057 0.096 18.631 425 HZ3 LYS 55 HZ3 LYS 55 88.615 -0.029 19.299 426 H GLY 56 H GLY 56 89.768 2.660 13.689 427 HA2 GLY 56 HA2 GLY 56 89.922 4.785 15.688 428 HA3 GLY 56 HA3 GLY 56 90.496 4.871 14.028 429 H ILE 57 H ILE 57 88.063 3.966 12.787 430 HA ILE 57 HA ILE 57 86.056 5.956 13.577 431 HB ILE 57 HB ILE 57 85.915 6.896 11.336 432 HG12 ILE 57 HG12 ILE 57 88.106 6.234 9.902 433 HG13 ILE 57 HG13 ILE 57 87.889 4.716 10.767 434 HG21 ILE 57 HG21 ILE 57 88.819 6.932 12.180 435 HG22 ILE 57 HG22 ILE 57 87.558 7.769 13.086 436 HG23 ILE 57 HG23 ILE 57 87.894 8.227 11.417 437 HD11 ILE 57 HD11 ILE 57 85.769 4.332 9.810 438 HD12 ILE 57 HD12 ILE 57 86.692 5.017 8.477 439 HD13 ILE 57 HD13 ILE 57 85.556 6.026 9.369 440 H THR 58 H THR 58 84.202 5.791 11.774 441 HA THR 58 HA THR 58 83.672 2.907 11.365 442 HB THR 58 HB THR 58 81.891 5.106 12.389 443 HG1 THR 58 HG1 THR 58 81.952 3.901 14.097 444 HG21 THR 58 HG21 THR 58 80.089 3.200 12.116 445 HG22 THR 58 HG22 THR 58 81.139 2.672 10.802 446 HG23 THR 58 HG23 THR 58 80.433 4.285 10.770 447 H TRP 59 H TRP 59 82.820 2.278 9.434 448 HA TRP 59 HA TRP 59 83.209 3.927 7.170 449 HB2 TRP 59 HB2 TRP 59 81.372 1.538 7.213 450 HB3 TRP 59 HB1 TRP 59 82.370 2.136 5.887 451 HD1 TRP 59 HD1 TRP 59 85.116 2.457 7.325 452 HE1 TRP 59 HE1 TRP 59 86.435 0.378 8.097 453 HE3 TRP 59 HE3 TRP 59 81.342 -0.970 7.564 454 HZ2 TRP 59 HZ2 TRP 59 85.945 -2.359 8.767 455 HZ3 TRP 59 HZ3 TRP 59 81.797 -3.302 8.261 456 HH2 TRP 59 HH2 TRP 59 84.093 -3.998 8.863 457 H LYS 60 H LYS 60 81.873 5.231 6.055 458 HA LYS 60 HA LYS 60 79.000 5.217 6.537 459 HB2 LYS 60 HB2 LYS 60 80.742 7.607 7.193 460 HB3 LYS 60 HB3 LYS 60 78.987 7.669 7.045 461 HG2 LYS 60 HG2 LYS 60 78.948 5.765 8.783 462 HG3 LYS 60 HG3 LYS 60 80.634 6.178 9.088 463 HD2 LYS 60 HD2 LYS 60 78.428 8.246 9.166 464 HD3 LYS 60 HD3 LYS 60 78.904 7.322 10.590 465 HE2 LYS 60 HE2 LYS 60 81.265 8.108 10.229 466 HE3 LYS 60 HE3 LYS 60 80.667 9.156 8.943 467 HZ1 LYS 60 HZ1 LYS 60 79.562 10.490 10.410 468 HZ2 LYS 60 HZ2 LYS 60 80.880 10.027 11.376 469 HZ3 LYS 60 HZ3 LYS 60 79.373 9.269 11.572 470 H GLU 61 H GLU 61 78.401 7.644 5.292 471 HA GLU 61 HA GLU 61 78.899 6.932 2.550 472 HB2 GLU 61 HB2 GLU 61 76.757 7.954 3.483 473 HB3 GLU 61 HB3 GLU 61 77.627 9.487 3.531 474 HG2 GLU 61 HG2 GLU 61 78.063 9.360 1.133 475 HG3 GLU 61 HG3 GLU 61 77.305 7.771 1.053 476 H GLU 62 H GLU 62 79.563 9.925 4.409 477 HA GLU 62 HA GLU 62 81.287 10.971 2.386 478 HB2 GLU 62 HB2 GLU 62 81.644 12.802 3.840 479 HB3 GLU 62 HB3 GLU 62 79.988 12.289 4.153 480 HG2 GLU 62 HG2 GLU 62 80.815 12.491 6.321 481 HG3 GLU 62 HG3 GLU 62 81.099 10.782 6.002 482 H THR 63 H THR 63 81.815 9.117 5.343 483 HA THR 63 HA THR 63 84.607 9.433 5.536 484 HB THR 63 HB THR 63 84.571 7.317 6.796 485 HG1 THR 63 HG1 THR 63 83.070 6.232 5.477 486 HG21 THR 63 HG21 THR 63 82.337 9.279 7.293 487 HG22 THR 63 HG22 THR 63 83.922 9.218 8.063 488 HG23 THR 63 HG23 THR 63 82.720 7.978 8.419 489 H LEU 64 H LEU 64 82.578 7.282 3.643 490 HA LEU 64 HA LEU 64 84.667 5.643 2.641 491 HB2 LEU 64 HB2 LEU 64 81.809 5.958 2.226 492 HB3 LEU 64 HB3 LEU 64 82.644 5.657 0.711 493 HG LEU 64 HG LEU 64 83.043 3.971 3.196 494 HD11 LEU 64 HD11 LEU 64 80.928 3.261 2.731 495 HD12 LEU 64 HD12 LEU 64 81.701 2.388 1.407 496 HD13 LEU 64 HD13 LEU 64 80.945 3.951 1.111 497 HD21 LEU 64 HD21 LEU 64 83.992 3.867 0.337 498 HD22 LEU 64 HD22 LEU 64 83.780 2.365 1.233 499 HD23 LEU 64 HD23 LEU 64 84.904 3.587 1.821 500 H MET 65 H MET 65 83.199 8.670 1.556 501 HA MET 65 HA MET 65 84.285 8.795 -1.022 502 HB2 MET 65 HB2 MET 65 83.759 11.063 0.912 503 HB3 MET 65 HB1 MET 65 84.032 11.247 -0.820 504 HG2 MET 65 HG2 MET 65 82.049 9.965 -1.334 505 HG3 MET 65 HG1 MET 65 81.824 9.552 0.364 506 HE1 MET 65 HE1 MET 65 81.809 12.134 -2.371 507 HE2 MET 65 HE2 MET 65 80.451 13.158 -1.909 508 HE3 MET 65 HE3 MET 65 80.191 11.440 -2.200 509 H GLU 66 H GLU 66 85.599 10.296 1.944 510 HA GLU 66 HA GLU 66 88.020 11.139 0.778 511 HB2 GLU 66 HB2 GLU 66 87.396 10.428 3.654 512 HB3 GLU 66 HB3 GLU 66 88.841 11.284 3.118 513 HG2 GLU 66 HG2 GLU 66 86.021 12.244 2.575 514 HG3 GLU 66 HG3 GLU 66 86.999 12.799 3.932 515 H TYR 67 H TYR 67 86.962 8.089 2.069 516 HA TYR 67 HA TYR 67 89.590 6.904 2.203 517 HB2 TYR 67 HB2 TYR 67 87.959 6.024 3.699 518 HB3 TYR 67 HB3 TYR 67 86.784 5.823 2.408 519 HD1 TYR 67 HD2 TYR 67 87.053 4.036 0.715 520 HD2 TYR 67 HD1 TYR 67 89.719 4.405 4.063 521 HE1 TYR 67 HE2 TYR 67 87.866 1.725 0.323 522 HE2 TYR 67 HE1 TYR 67 90.530 2.094 3.672 523 HH TYR 67 HH TYR 67 89.812 0.356 0.807 524 H LEU 68 H LEU 68 87.060 7.244 -0.160 525 HA LEU 68 HA LEU 68 88.047 5.180 -1.918 526 HB2 LEU 68 HB2 LEU 68 85.902 7.276 -2.061 527 HB3 LEU 68 HB3 LEU 68 86.432 6.489 -3.540 528 HG LEU 68 HG LEU 68 85.417 5.061 -1.065 529 HD11 LEU 68 HD11 LEU 68 83.408 4.667 -2.254 530 HD12 LEU 68 HD12 LEU 68 84.107 5.206 -3.782 531 HD13 LEU 68 HD13 LEU 68 83.751 6.378 -2.515 532 HD21 LEU 68 HD21 LEU 68 86.760 4.162 -3.540 533 HD22 LEU 68 HD22 LEU 68 85.284 3.291 -3.144 534 HD23 LEU 68 HD23 LEU 68 86.605 3.356 -1.980 535 H GLU 69 H GLU 69 88.706 8.521 -1.352 536 HA GLU 69 HA GLU 69 89.974 8.915 -3.947 537 HB2 GLU 69 HB2 GLU 69 88.931 10.884 -3.315 538 HB3 GLU 69 HB3 GLU 69 89.255 10.630 -1.602 539 HG2 GLU 69 HG2 GLU 69 91.528 11.291 -1.832 540 HG3 GLU 69 HG3 GLU 69 91.455 11.191 -3.591 541 H ASN 70 H ASN 70 90.773 7.729 -0.877 542 HA ASN 70 HA ASN 70 93.483 7.257 -1.570 543 HB2 ASN 70 HB2 ASN 70 93.292 9.811 -0.889 544 HB3 ASN 70 HB1 ASN 70 93.329 9.153 0.743 545 HD21 ASN 70 HD21 ASN 70 95.120 6.991 0.421 546 HD22 ASN 70 HD22 ASN 70 96.642 7.590 -0.030 547 HA PRO 71 HA PRO 71 91.237 4.570 1.578 548 HB2 PRO 71 HB2 PRO 71 92.949 2.652 0.045 549 HB3 PRO 71 HB1 PRO 71 91.275 2.475 0.601 550 HG2 PRO 71 HG2 PRO 71 91.849 2.983 -1.950 551 HG3 PRO 71 HG1 PRO 71 90.420 3.673 -1.163 552 HD2 PRO 71 HD2 PRO 71 92.972 5.010 -1.932 553 HD3 PRO 71 HD1 PRO 71 91.336 5.691 -1.803 554 H LYS 72 H LYS 72 94.626 4.679 0.536 555 HA LYS 72 HA LYS 72 95.648 3.389 2.882 556 HB2 LYS 72 HB2 LYS 72 96.800 3.398 0.673 557 HB3 LYS 72 HB3 LYS 72 97.113 5.118 0.884 558 HG2 LYS 72 HG2 LYS 72 98.957 4.621 2.084 559 HG3 LYS 72 HG3 LYS 72 97.939 3.850 3.296 560 HD2 LYS 72 HD2 LYS 72 98.870 2.434 0.783 561 HD3 LYS 72 HD3 LYS 72 99.748 2.366 2.310 562 HE2 LYS 72 HE2 LYS 72 96.907 1.427 1.814 563 HE3 LYS 72 HE3 LYS 72 98.308 0.420 2.174 564 HZ1 LYS 72 HZ1 LYS 72 97.219 0.660 4.201 565 HZ2 LYS 72 HZ2 LYS 72 96.902 2.311 3.956 566 HZ3 LYS 72 HZ3 LYS 72 98.484 1.787 4.287 567 H LYS 73 H LYS 73 95.598 6.781 1.782 568 HA LYS 73 HA LYS 73 96.959 7.823 4.016 569 HB2 LYS 73 HB2 LYS 73 96.562 8.985 1.804 570 HB3 LYS 73 HB3 LYS 73 94.922 9.308 2.363 571 HG2 LYS 73 HG2 LYS 73 96.581 10.074 4.508 572 HG3 LYS 73 HG3 LYS 73 97.399 10.671 3.066 573 HD2 LYS 73 HD2 LYS 73 94.520 11.210 3.855 574 HD3 LYS 73 HD3 LYS 73 95.846 12.369 3.877 575 HE2 LYS 73 HE2 LYS 73 95.981 11.474 1.290 576 HE3 LYS 73 HE3 LYS 73 94.245 11.388 1.592 577 HZ1 LYS 73 HZ1 LYS 73 95.324 13.590 0.780 578 HZ2 LYS 73 HZ2 LYS 73 95.729 13.784 2.418 579 HZ3 LYS 73 HZ3 LYS 73 94.102 13.630 1.955 580 H TYR 74 H TYR 74 93.585 7.018 3.513 581 HA TYR 74 HA TYR 74 92.523 8.546 5.650 582 HB2 TYR 74 HB2 TYR 74 91.390 7.150 3.655 583 HB3 TYR 74 HB3 TYR 74 91.226 5.959 4.945 584 HD1 TYR 74 HD1 TYR 74 90.851 9.677 4.507 585 HD2 TYR 74 HD2 TYR 74 89.254 6.060 6.191 586 HE1 TYR 74 HE1 TYR 74 88.938 10.952 5.436 587 HE2 TYR 74 HE2 TYR 74 87.341 7.336 7.117 588 HH TYR 74 HH TYR 74 87.108 10.868 6.685 589 H ILE 75 H ILE 75 93.237 5.052 5.480 590 HA ILE 75 HA ILE 75 93.726 5.104 8.399 591 HB ILE 75 HB ILE 75 92.418 2.854 6.851 592 HG12 ILE 75 HG12 ILE 75 91.119 4.650 8.908 593 HG13 ILE 75 HG13 ILE 75 91.080 5.039 7.189 594 HG21 ILE 75 HG21 ILE 75 93.120 3.300 9.760 595 HG22 ILE 75 HG22 ILE 75 93.558 1.936 8.731 596 HG23 ILE 75 HG23 ILE 75 91.890 2.137 9.266 597 HD11 ILE 75 HD11 ILE 75 89.899 3.025 6.665 598 HD12 ILE 75 HD12 ILE 75 89.079 3.728 8.059 599 HD13 ILE 75 HD13 ILE 75 90.176 2.365 8.277 600 HA PRO 76 HA PRO 76 97.542 3.888 5.900 601 HB2 PRO 76 HB2 PRO 76 98.497 4.694 8.632 602 HB3 PRO 76 HB1 PRO 76 99.245 4.985 7.049 603 HG2 PRO 76 HG2 PRO 76 97.885 6.897 8.316 604 HG3 PRO 76 HG1 PRO 76 97.840 6.734 6.552 605 HD2 PRO 76 HD2 PRO 76 95.713 6.147 8.535 606 HD3 PRO 76 HD1 PRO 76 95.567 6.517 6.804 607 H GLY 77 H GLY 77 98.069 1.790 5.809 608 HA2 GLY 77 HA2 GLY 77 99.127 -0.098 7.005 609 HA3 GLY 77 HA3 GLY 77 97.944 0.161 8.283 610 H THR 78 H THR 78 95.817 0.746 6.300 611 HA THR 78 HA THR 78 94.625 -1.765 6.102 612 HB THR 78 HB THR 78 93.464 0.449 5.881 613 HG1 THR 78 HG1 THR 78 92.123 -0.350 4.089 614 HG21 THR 78 HG21 THR 78 93.526 1.629 3.809 615 HG22 THR 78 HG22 THR 78 94.400 0.321 3.012 616 HG23 THR 78 HG23 THR 78 95.208 1.305 4.232 617 H LYS 79 H LYS 79 94.580 -3.356 4.557 618 HA LYS 79 HA LYS 79 96.728 -3.269 2.581 619 HB2 LYS 79 HB2 LYS 79 95.834 -5.278 4.154 620 HB3 LYS 79 HB3 LYS 79 94.923 -5.620 2.682 621 HG2 LYS 79 HG2 LYS 79 96.975 -5.643 1.363 622 HG3 LYS 79 HG3 LYS 79 97.921 -5.163 2.772 623 HD2 LYS 79 HD2 LYS 79 98.257 -7.448 2.829 624 HD3 LYS 79 HD3 LYS 79 96.818 -7.326 3.841 625 HE2 LYS 79 HE2 LYS 79 95.391 -7.843 1.912 626 HE3 LYS 79 HE3 LYS 79 96.807 -7.907 0.863 627 HZ1 LYS 79 HZ1 LYS 79 95.942 -10.096 1.752 628 HZ2 LYS 79 HZ2 LYS 79 96.555 -9.617 3.262 629 HZ3 LYS 79 HZ3 LYS 79 97.602 -9.806 1.938 630 H MET 80 H MET 80 96.026 -1.848 0.995 631 HA MET 80 HA MET 80 94.437 -2.903 -1.077 632 HB2 MET 80 HB2 MET 80 92.504 -2.502 0.285 633 HB3 MET 80 HB1 MET 80 93.063 -0.883 0.705 634 HG2 MET 80 HG2 MET 80 92.663 -0.054 -1.474 635 HG3 MET 80 HG1 MET 80 92.576 -1.673 -2.167 636 HE1 MET 80 HE1 MET 80 90.353 1.297 -1.185 637 HE2 MET 80 HE2 MET 80 89.136 0.492 -2.171 638 HE3 MET 80 HE3 MET 80 90.801 0.583 -2.740 639 H ILE 81 H ILE 81 96.075 -2.194 -2.395 640 HA ILE 81 HA ILE 81 96.261 0.736 -2.765 641 HB ILE 81 HB ILE 81 98.537 -1.259 -2.937 642 HG12 ILE 81 HG12 ILE 81 99.376 0.458 -1.101 643 HG13 ILE 81 HG13 ILE 81 97.654 0.764 -0.887 644 HG21 ILE 81 HG21 ILE 81 99.842 0.955 -3.178 645 HG22 ILE 81 HG22 ILE 81 98.286 1.681 -3.582 646 HG23 ILE 81 HG23 ILE 81 98.944 0.391 -4.587 647 HD11 ILE 81 HD11 ILE 81 97.766 -2.005 -0.943 648 HD12 ILE 81 HD12 ILE 81 97.691 -1.017 0.512 649 HD13 ILE 81 HD13 ILE 81 99.250 -1.570 -0.096 650 H PHE 82 H PHE 82 94.789 0.657 -4.490 651 HA PHE 82 HA PHE 82 95.784 -0.723 -6.917 652 HB2 PHE 82 HB2 PHE 82 93.668 -1.693 -6.059 653 HB3 PHE 82 HB1 PHE 82 92.906 -0.110 -6.206 654 HD1 PHE 82 HD1 PHE 82 94.878 -2.583 -8.221 655 HD2 PHE 82 HD2 PHE 82 91.850 0.465 -8.219 656 HE1 PHE 82 HE1 PHE 82 94.430 -3.026 -10.620 657 HE2 PHE 82 HE2 PHE 82 91.402 0.021 -10.617 658 HZ PHE 82 HZ PHE 82 92.692 -1.724 -11.818 659 H ALA 83 H ALA 83 93.340 1.781 -6.231 660 HA ALA 83 HA ALA 83 94.796 3.942 -7.320 661 HB1 ALA 83 HB1 ALA 83 94.633 2.883 -9.459 662 HB2 ALA 83 HB2 ALA 83 93.437 4.178 -9.446 663 HB3 ALA 83 HB3 ALA 83 92.928 2.505 -9.213 664 H GLY 84 H GLY 84 93.929 5.521 -6.145 665 HA2 GLY 84 HA2 GLY 84 91.321 5.416 -5.018 666 HA3 GLY 84 HA3 GLY 84 92.391 6.814 -5.019 667 H ILE 85 H ILE 85 89.760 7.291 -5.304 668 HA ILE 85 HA ILE 85 89.030 7.442 -8.115 669 HB ILE 85 HB ILE 85 87.704 8.434 -5.585 670 HG12 ILE 85 HG12 ILE 85 87.895 5.888 -6.302 671 HG13 ILE 85 HG13 ILE 85 86.373 6.526 -5.694 672 HG21 ILE 85 HG21 ILE 85 86.902 8.656 -8.485 673 HG22 ILE 85 HG22 ILE 85 86.946 9.924 -7.261 674 HG23 ILE 85 HG23 ILE 85 85.704 8.674 -7.192 675 HD11 ILE 85 HD11 ILE 85 86.354 5.121 -7.892 676 HD12 ILE 85 HD12 ILE 85 86.950 6.600 -8.644 677 HD13 ILE 85 HD13 ILE 85 85.393 6.597 -7.815 678 H LYS 86 H LYS 86 88.424 9.535 -9.106 679 HA LYS 86 HA LYS 86 90.345 11.631 -8.316 680 HB2 LYS 86 HB2 LYS 86 89.039 10.939 -10.945 681 HB3 LYS 86 HB3 LYS 86 89.890 12.463 -10.687 682 HG2 LYS 86 HG2 LYS 86 91.234 9.869 -9.961 683 HG3 LYS 86 HG3 LYS 86 91.202 10.392 -11.644 684 HD2 LYS 86 HD2 LYS 86 92.649 12.131 -11.275 685 HD3 LYS 86 HD3 LYS 86 91.991 12.478 -9.678 686 HE2 LYS 86 HE2 LYS 86 94.370 11.554 -9.722 687 HE3 LYS 86 HE3 LYS 86 93.236 10.706 -8.672 688 HZ1 LYS 86 HZ1 LYS 86 94.578 9.788 -11.045 689 HZ2 LYS 86 HZ2 LYS 86 92.913 9.452 -11.041 690 HZ3 LYS 86 HZ3 LYS 86 93.898 8.898 -9.772 691 H LYS 87 H LYS 87 87.190 11.641 -10.020 692 HA LYS 87 HA LYS 87 86.577 14.242 -8.917 693 HB2 LYS 87 HB2 LYS 87 85.067 12.342 -10.710 694 HB3 LYS 87 HB3 LYS 87 84.391 13.874 -10.161 695 HG2 LYS 87 HG2 LYS 87 87.131 13.890 -11.380 696 HG3 LYS 87 HG3 LYS 87 85.740 13.721 -12.451 697 HD2 LYS 87 HD2 LYS 87 84.816 15.800 -11.757 698 HD3 LYS 87 HD3 LYS 87 85.889 15.899 -10.361 699 HE2 LYS 87 HE2 LYS 87 86.902 15.889 -13.212 700 HE3 LYS 87 HE3 LYS 87 86.540 17.371 -12.327 701 HZ1 LYS 87 HZ1 LYS 87 88.675 15.415 -11.888 702 HZ2 LYS 87 HZ2 LYS 87 88.043 16.227 -10.536 703 HZ3 LYS 87 HZ3 LYS 87 88.730 17.109 -11.816 704 H LYS 88 H LYS 88 84.529 14.700 -7.812 705 HA LYS 88 HA LYS 88 84.194 13.007 -5.532 706 HB2 LYS 88 HB2 LYS 88 83.888 15.538 -5.604 707 HB3 LYS 88 HB3 LYS 88 82.332 15.228 -6.377 708 HG2 LYS 88 HG2 LYS 88 81.791 13.694 -4.419 709 HG3 LYS 88 HG3 LYS 88 83.234 14.328 -3.629 710 HD2 LYS 88 HD2 LYS 88 81.661 15.807 -2.793 711 HD3 LYS 88 HD3 LYS 88 82.126 16.672 -4.258 712 HE2 LYS 88 HE2 LYS 88 80.222 15.669 -5.462 713 HE3 LYS 88 HE3 LYS 88 79.762 14.786 -4.006 714 HZ1 LYS 88 HZ1 LYS 88 80.094 17.690 -3.824 715 HZ2 LYS 88 HZ2 LYS 88 79.039 16.664 -2.975 716 HZ3 LYS 88 HZ3 LYS 88 78.701 17.094 -4.584 717 H THR 89 H THR 89 82.074 13.855 -8.280 718 HA THR 89 HA THR 89 79.881 12.289 -7.613 719 HB THR 89 HB THR 89 79.437 12.175 -10.068 720 HG1 THR 89 HG1 THR 89 81.782 13.720 -10.332 721 HG21 THR 89 HG21 THR 89 80.359 14.903 -9.125 722 HG22 THR 89 HG22 THR 89 78.840 14.150 -8.637 723 HG23 THR 89 HG23 THR 89 79.117 14.562 -10.329 724 H GLU 90 H GLU 90 83.006 11.339 -8.818 725 HA GLU 90 HA GLU 90 82.276 8.738 -9.725 726 HB2 GLU 90 HB2 GLU 90 84.884 9.994 -8.880 727 HB3 GLU 90 HB3 GLU 90 84.781 8.284 -9.287 728 HG2 GLU 90 HG2 GLU 90 84.047 8.765 -11.510 729 HG3 GLU 90 HG3 GLU 90 83.777 10.463 -11.124 730 H ARG 91 H ARG 91 83.304 10.107 -6.648 731 HA ARG 91 HA ARG 91 83.389 7.572 -5.275 732 HB2 ARG 91 HB2 ARG 91 83.244 10.383 -4.147 733 HB3 ARG 91 HB3 ARG 91 83.666 8.922 -3.255 734 HG2 ARG 91 HG2 ARG 91 85.580 8.593 -4.857 735 HG3 ARG 91 HG3 ARG 91 85.213 10.179 -5.532 736 HD2 ARG 91 HD2 ARG 91 85.370 10.304 -2.628 737 HD3 ARG 91 HD3 ARG 91 86.854 9.647 -3.312 738 HE ARG 91 HE ARG 91 86.286 11.846 -4.866 739 HH11 ARG 91 HH21 ARG 91 86.725 11.185 -1.496 740 HH12 ARG 91 HH22 ARG 91 87.364 12.753 -1.130 741 HH21 ARG 91 HH11 ARG 91 87.124 13.904 -4.393 742 HH22 ARG 91 HH12 ARG 91 87.588 14.293 -2.770 743 H GLU 92 H GLU 92 81.162 10.360 -5.317 744 HA GLU 92 HA GLU 92 79.258 9.341 -3.530 745 HB2 GLU 92 HB2 GLU 92 79.307 11.687 -4.379 746 HB3 GLU 92 HB3 GLU 92 78.726 11.101 -5.938 747 HG2 GLU 92 HG2 GLU 92 76.691 10.246 -4.911 748 HG3 GLU 92 HG3 GLU 92 77.280 10.681 -3.307 749 H ASP 93 H ASP 93 79.286 9.207 -7.103 750 HA ASP 93 HA ASP 93 77.001 7.601 -7.397 751 HB2 ASP 93 HB2 ASP 93 79.464 7.771 -9.149 752 HB3 ASP 93 HB1 ASP 93 77.932 7.040 -9.623 753 H LEU 94 H LEU 94 80.440 6.706 -7.217 754 HA LEU 94 HA LEU 94 80.129 3.925 -7.431 755 HB2 LEU 94 HB2 LEU 94 82.328 4.978 -7.587 756 HB3 LEU 94 HB3 LEU 94 82.202 5.525 -5.917 757 HG LEU 94 HG LEU 94 82.201 3.239 -5.104 758 HD11 LEU 94 HD11 LEU 94 81.045 1.973 -6.695 759 HD12 LEU 94 HD12 LEU 94 82.709 1.451 -6.950 760 HD13 LEU 94 HD13 LEU 94 81.978 2.628 -8.041 761 HD21 LEU 94 HD21 LEU 94 84.460 2.839 -5.410 762 HD22 LEU 94 HD22 LEU 94 84.376 4.502 -5.983 763 HD23 LEU 94 HD23 LEU 94 84.400 3.171 -7.139 764 H ILE 95 H ILE 95 79.890 6.108 -4.699 765 HA ILE 95 HA ILE 95 79.682 4.012 -2.767 766 HB ILE 95 HB ILE 95 79.340 6.993 -2.657 767 HG12 ILE 95 HG12 ILE 95 81.190 5.250 -1.041 768 HG13 ILE 95 HG13 ILE 95 81.566 5.615 -2.721 769 HG21 ILE 95 HG21 ILE 95 79.258 6.389 -0.062 770 HG22 ILE 95 HG22 ILE 95 78.514 4.908 -0.666 771 HG23 ILE 95 HG23 ILE 95 77.778 6.471 -1.016 772 HD11 ILE 95 HD11 ILE 95 80.846 7.846 -0.856 773 HD12 ILE 95 HD12 ILE 95 81.837 7.885 -2.311 774 HD13 ILE 95 HD13 ILE 95 82.476 7.181 -0.831 775 H ALA 96 H ALA 96 77.481 5.828 -4.741 776 HA ALA 96 HA ALA 96 75.104 5.289 -3.278 777 HB1 ALA 96 HB1 ALA 96 73.954 5.857 -5.384 778 HB2 ALA 96 HB2 ALA 96 75.497 5.803 -6.238 779 HB3 ALA 96 HB3 ALA 96 75.212 7.032 -5.006 780 H TYR 97 H TYR 97 76.971 3.561 -5.691 781 HA TYR 97 HA TYR 97 75.018 1.477 -6.074 782 HB2 TYR 97 HB2 TYR 97 76.532 1.911 -7.893 783 HB3 TYR 97 HB3 TYR 97 77.935 1.715 -6.841 784 HD1 TYR 97 HD1 TYR 97 75.030 -0.083 -8.329 785 HD2 TYR 97 HD2 TYR 97 78.842 -0.438 -6.380 786 HE1 TYR 97 HE1 TYR 97 75.038 -2.521 -8.787 787 HE2 TYR 97 HE2 TYR 97 78.849 -2.875 -6.840 788 HH TYR 97 HH TYR 97 76.101 -4.444 -8.485 789 H LEU 98 H LEU 98 78.025 1.892 -4.231 790 HA LEU 98 HA LEU 98 78.236 -0.717 -3.226 791 HB2 LEU 98 HB2 LEU 98 79.174 1.971 -2.270 792 HB3 LEU 98 HB3 LEU 98 79.409 0.550 -1.260 793 HG LEU 98 HG LEU 98 80.234 0.462 -4.154 794 HD11 LEU 98 HD11 LEU 98 82.019 1.450 -1.920 795 HD12 LEU 98 HD12 LEU 98 81.246 2.517 -3.092 796 HD13 LEU 98 HD13 LEU 98 82.417 1.321 -3.632 797 HD21 LEU 98 HD21 LEU 98 81.353 -0.795 -1.634 798 HD22 LEU 98 HD22 LEU 98 81.819 -1.182 -3.290 799 HD23 LEU 98 HD23 LEU 98 80.203 -1.583 -2.711 800 H LYS 99 H LYS 99 76.086 1.883 -2.439 801 HA LYS 99 HA LYS 99 75.345 0.879 0.166 802 HB2 LYS 99 HB2 LYS 99 74.315 3.050 -1.642 803 HB3 LYS 99 HB3 LYS 99 73.397 2.555 -0.220 804 HG2 LYS 99 HG2 LYS 99 75.358 2.997 1.209 805 HG3 LYS 99 HG3 LYS 99 76.283 3.483 -0.211 806 HD2 LYS 99 HD2 LYS 99 75.434 5.478 0.900 807 HD3 LYS 99 HD3 LYS 99 74.608 5.282 -0.645 808 HE2 LYS 99 HE2 LYS 99 72.601 4.645 0.353 809 HE3 LYS 99 HE3 LYS 99 73.393 4.063 1.818 810 HZ1 LYS 99 HZ1 LYS 99 73.142 6.905 0.996 811 HZ2 LYS 99 HZ2 LYS 99 73.910 6.346 2.404 812 HZ3 LYS 99 HZ3 LYS 99 72.235 6.142 2.209 813 H LYS 100 H LYS 100 73.715 1.055 -3.005 814 HA LYS 100 HA LYS 100 71.522 -0.588 -2.139 815 HB2 LYS 100 HB2 LYS 100 71.549 1.182 -4.019 816 HB3 LYS 100 HB3 LYS 100 72.275 -0.081 -5.012 817 HG2 LYS 100 HG2 LYS 100 70.363 -1.569 -4.513 818 HG3 LYS 100 HG3 LYS 100 69.628 -0.292 -3.543 819 HD2 LYS 100 HD2 LYS 100 70.407 0.261 -6.399 820 HD3 LYS 100 HD3 LYS 100 68.898 -0.579 -6.050 821 HE2 LYS 100 HE2 LYS 100 68.236 1.288 -4.542 822 HE3 LYS 100 HE3 LYS 100 69.715 2.141 -4.982 823 HZ1 LYS 100 HZ1 LYS 100 67.309 1.657 -6.558 824 HZ2 LYS 100 HZ2 LYS 100 68.792 1.633 -7.386 825 HZ3 LYS 100 HZ3 LYS 100 68.324 3.015 -6.517 826 H ALA 101 H ALA 101 74.677 -1.184 -3.316 827 HA ALA 101 HA ALA 101 74.091 -3.844 -4.338 828 HB1 ALA 101 HB1 ALA 101 76.751 -2.475 -3.883 829 HB2 ALA 101 HB2 ALA 101 75.834 -2.431 -5.388 830 HB3 ALA 101 HB3 ALA 101 76.484 -3.960 -4.796 831 H THR 102 H THR 102 75.297 -2.337 -1.424 832 HA THR 102 HA THR 102 76.099 -4.913 -0.278 833 HB THR 102 HB THR 102 76.804 -3.533 1.663 834 HG1 THR 102 HG1 THR 102 75.415 -1.643 0.187 835 HG21 THR 102 HG21 THR 102 77.740 -2.893 -1.123 836 HG22 THR 102 HG22 THR 102 78.539 -3.848 0.124 837 HG23 THR 102 HG23 THR 102 78.474 -2.091 0.266 838 H ASN 103 H ASN 103 73.333 -3.105 -0.632 839 HA ASN 103 HA ASN 103 72.147 -3.783 1.949 840 HB2 ASN 103 HB2 ASN 103 71.286 -2.180 -0.440 841 HB3 ASN 103 HB1 ASN 103 70.107 -2.687 0.762 842 HD21 ASN 103 HD21 ASN 103 73.426 -2.000 1.712 843 HD22 ASN 103 HD22 ASN 103 73.077 -0.562 2.541 844 H GLU 104 H GLU 104 72.232 -4.922 -1.330 845 HA GLU 104 HA GLU 104 70.711 -7.285 -0.570 846 HB2 GLU 104 HB2 GLU 104 69.192 -7.051 -2.557 847 HB3 GLU 104 HB3 GLU 104 68.893 -5.870 -1.280 848 HG2 GLU 104 HG2 GLU 104 70.184 -4.184 -2.491 849 HG3 GLU 104 HG3 GLU 104 70.591 -5.359 -3.739 850 HHA HEC 201 HA HEC 105 89.445 -3.584 3.098 851 HHB HEC 201 HB HEC 105 85.557 -0.111 -0.480 852 HHC HEC 201 HC HEC 105 88.839 -1.778 -5.628 853 HHD HEC 201 HD HEC 105 92.251 -5.789 -2.124 854 HMA1 HEC 201 HMA1 HEC 105 84.626 -0.433 1.597 855 HMA2 HEC 201 HMA2 HEC 105 85.773 0.756 2.214 856 HMA3 HEC 201 HMA3 HEC 105 85.221 -0.560 3.251 857 HAA1 HEC 201 HAA1 HEC 105 87.150 -0.956 4.415 858 HAA2 HEC 201 HAA2 HEC 105 88.488 -2.082 4.357 859 HBA1 HEC 201 HBA1 HEC 105 87.146 -3.914 4.704 860 HBA2 HEC 201 HBA2 HEC 105 85.758 -3.189 3.902 861 HMB1 HEC 201 HMB1 HEC 105 84.098 -0.027 -2.901 862 HMB2 HEC 201 HMB2 HEC 105 84.852 1.166 -3.953 863 HMB3 HEC 201 HMB3 HEC 105 85.018 1.304 -2.206 864 HAB HEC 201 HAB HEC 105 87.337 -0.560 -6.262 865 HBB1 HEC 201 HBB1 HEC 105 86.681 1.960 -4.781 866 HBB2 HEC 201 HBB2 HEC 105 87.947 1.655 -5.965 867 HBB3 HEC 201 HBB3 HEC 105 86.277 1.863 -6.493 868 HMC1 HEC 201 HMC1 HEC 105 91.345 -2.547 -6.748 869 HMC2 HEC 201 HMC2 HEC 105 89.796 -3.349 -6.994 870 HMC3 HEC 201 HMC3 HEC 105 91.284 -4.287 -7.023 871 HAC HEC 201 HAC HEC 105 92.690 -6.186 -4.054 872 HBC1 HEC 201 HBC1 HEC 105 93.333 -5.306 -6.743 873 HBC2 HEC 201 HBC2 HEC 105 94.393 -5.450 -5.342 874 HBC3 HEC 201 HBC3 HEC 105 93.480 -3.966 -5.607 875 HMD1 HEC 201 HMD1 HEC 105 93.755 -6.162 0.421 876 HMD2 HEC 201 HMD2 HEC 105 92.639 -7.196 -0.467 877 HMD3 HEC 201 HMD3 HEC 105 92.690 -7.267 1.288 878 HAD1 HEC 201 HAD1 HEC 105 92.063 -6.322 3.046 879 HAD2 HEC 201 HAD2 HEC 105 90.512 -5.678 3.544 880 HBD1 HEC 201 HBD1 HEC 105 91.694 -3.382 3.593 881 HBD2 HEC 201 HBD2 HEC 105 93.192 -4.308 3.533 882 H1 HOH 301 H2 HOH 200 80.605 2.186 -0.478 883 H2 HOH 301 H1 HOH 200 79.961 3.553 -0.559 884 H1 HOH 302 H2 HOH 201 86.553 4.821 6.058 885 H2 HOH 302 H1 HOH 201 86.063 6.174 5.590 886 H1 HOH 303 H2 HOH 202 83.259 -6.600 5.771 887 H2 HOH 303 H1 HOH 202 81.773 -6.639 6.063 888 H1 HOH 304 H2 HOH 203 81.867 -9.464 -0.101 889 H2 HOH 304 H1 HOH 203 81.940 -10.938 -0.436 Start of MODEL 27 1 H1 GLY 1 H1 GLY 1 73.837 10.188 -4.859 2 H2 GLY 1 H2 GLY 1 72.617 9.579 -5.873 3 H3 GLY 1 H3 GLY 1 73.241 11.137 -6.133 4 HA2 GLY 1 HA2 GLY 1 75.076 10.407 -7.187 5 HA3 GLY 1 HA3 GLY 1 75.171 8.963 -6.178 6 H ASP 2 H ASP 2 75.546 8.701 -8.873 7 HA ASP 2 HA ASP 2 72.998 7.750 -10.002 8 HB2 ASP 2 HB2 ASP 2 75.721 8.209 -11.228 9 HB3 ASP 2 HB1 ASP 2 74.362 7.491 -12.093 10 H VAL 3 H VAL 3 72.791 5.882 -8.697 11 HA VAL 3 HA VAL 3 74.612 3.905 -8.168 12 HB VAL 3 HB VAL 3 72.363 3.788 -7.293 13 HG11 VAL 3 HG11 VAL 3 71.135 4.785 -9.130 14 HG12 VAL 3 HG12 VAL 3 70.473 3.177 -8.836 15 HG13 VAL 3 HG13 VAL 3 71.561 3.447 -10.197 16 HG21 VAL 3 HG21 VAL 3 73.716 1.647 -7.889 17 HG22 VAL 3 HG22 VAL 3 72.540 1.443 -9.185 18 HG23 VAL 3 HG23 VAL 3 72.007 1.467 -7.504 19 H GLU 4 H GLU 4 73.358 4.854 -11.227 20 HA GLU 4 HA GLU 4 73.822 2.389 -12.618 21 HB2 GLU 4 HB2 GLU 4 73.398 5.239 -13.517 22 HB3 GLU 4 HB3 GLU 4 73.711 3.929 -14.657 23 HG2 GLU 4 HG2 GLU 4 71.526 3.746 -12.579 24 HG3 GLU 4 HG3 GLU 4 71.246 4.464 -14.164 25 H LYS 5 H LYS 5 75.551 5.516 -12.697 26 HA LYS 5 HA LYS 5 77.811 4.406 -14.057 27 HB2 LYS 5 HB2 LYS 5 77.221 7.031 -12.708 28 HB3 LYS 5 HB3 LYS 5 78.871 6.644 -13.183 29 HG2 LYS 5 HG2 LYS 5 78.067 7.744 -15.086 30 HG3 LYS 5 HG3 LYS 5 77.798 6.055 -15.503 31 HD2 LYS 5 HD2 LYS 5 75.720 6.972 -16.020 32 HD3 LYS 5 HD3 LYS 5 75.448 6.460 -14.358 33 HE2 LYS 5 HE2 LYS 5 75.932 8.723 -13.550 34 HE3 LYS 5 HE3 LYS 5 76.295 9.248 -15.193 35 HZ1 LYS 5 HZ1 LYS 5 73.883 9.434 -14.044 36 HZ2 LYS 5 HZ2 LYS 5 73.731 7.958 -14.871 37 HZ3 LYS 5 HZ3 LYS 5 74.139 9.372 -15.720 38 H GLY 6 H GLY 6 76.768 4.518 -10.801 39 HA2 GLY 6 HA2 GLY 6 79.324 4.310 -9.533 40 HA3 GLY 6 HA3 GLY 6 77.767 3.890 -8.812 41 H LYS 7 H LYS 7 76.964 2.089 -10.868 42 HA LYS 7 HA LYS 7 78.155 -0.318 -9.928 43 HB2 LYS 7 HB2 LYS 7 75.795 -0.065 -10.804 44 HB3 LYS 7 HB3 LYS 7 76.485 0.033 -12.423 45 HG2 LYS 7 HG2 LYS 7 77.679 -2.179 -11.860 46 HG3 LYS 7 HG3 LYS 7 76.574 -2.289 -10.494 47 HD2 LYS 7 HD2 LYS 7 75.550 -3.501 -12.295 48 HD3 LYS 7 HD3 LYS 7 74.668 -1.982 -12.143 49 HE2 LYS 7 HE2 LYS 7 75.509 -1.135 -14.127 50 HE3 LYS 7 HE3 LYS 7 77.010 -2.054 -14.009 51 HZ1 LYS 7 HZ1 LYS 7 74.452 -3.460 -14.374 52 HZ2 LYS 7 HZ2 LYS 7 76.019 -3.950 -14.808 53 HZ3 LYS 7 HZ3 LYS 7 75.220 -2.753 -15.711 54 H LYS 8 H LYS 8 78.433 1.577 -12.926 55 HA LYS 8 HA LYS 8 80.096 -0.186 -14.350 56 HB2 LYS 8 HB2 LYS 8 79.028 1.723 -15.419 57 HB3 LYS 8 HB3 LYS 8 79.963 2.838 -14.423 58 HG2 LYS 8 HG2 LYS 8 81.589 0.854 -15.907 59 HG3 LYS 8 HG3 LYS 8 80.721 1.999 -16.927 60 HD2 LYS 8 HD2 LYS 8 82.270 2.997 -14.544 61 HD3 LYS 8 HD3 LYS 8 83.109 2.631 -16.050 62 HE2 LYS 8 HE2 LYS 8 80.671 4.416 -15.958 63 HE3 LYS 8 HE3 LYS 8 82.308 5.044 -15.774 64 HZ1 LYS 8 HZ1 LYS 8 82.595 3.524 -17.936 65 HZ2 LYS 8 HZ2 LYS 8 82.192 5.173 -17.999 66 HZ3 LYS 8 HZ3 LYS 8 80.976 3.994 -18.128 67 H ILE 9 H ILE 9 80.928 2.525 -12.205 68 HA ILE 9 HA ILE 9 83.739 2.233 -12.435 69 HB ILE 9 HB ILE 9 82.086 3.456 -10.217 70 HG12 ILE 9 HG12 ILE 9 83.520 4.851 -12.487 71 HG13 ILE 9 HG13 ILE 9 81.835 4.345 -12.616 72 HG21 ILE 9 HG21 ILE 9 84.321 3.042 -9.419 73 HG22 ILE 9 HG22 ILE 9 84.226 4.753 -9.836 74 HG23 ILE 9 HG23 ILE 9 85.026 3.622 -10.928 75 HD11 ILE 9 HD11 ILE 9 81.207 5.720 -10.730 76 HD12 ILE 9 HD12 ILE 9 82.134 6.727 -11.841 77 HD13 ILE 9 HD13 ILE 9 82.895 6.096 -10.381 78 H PHE 10 H PHE 10 81.347 0.546 -10.604 79 HA PHE 10 HA PHE 10 83.192 -0.455 -8.615 80 HB2 PHE 10 HB2 PHE 10 81.049 -0.331 -7.743 81 HB3 PHE 10 HB1 PHE 10 80.295 -0.859 -9.247 82 HD1 PHE 10 HD1 PHE 10 80.252 -3.233 -9.875 83 HD2 PHE 10 HD2 PHE 10 81.955 -1.938 -6.156 84 HE1 PHE 10 HE1 PHE 10 80.240 -5.573 -9.060 85 HE2 PHE 10 HE2 PHE 10 81.945 -4.279 -5.337 86 HZ PHE 10 HZ PHE 10 81.089 -6.098 -6.794 87 H VAL 11 H VAL 11 81.382 -1.947 -11.318 88 HA VAL 11 HA VAL 11 82.401 -4.524 -11.092 89 HB VAL 11 HB VAL 11 81.870 -4.771 -13.503 90 HG11 VAL 11 HG11 VAL 11 80.145 -4.783 -11.610 91 HG12 VAL 11 HG12 VAL 11 79.525 -4.484 -13.234 92 HG13 VAL 11 HG13 VAL 11 79.742 -3.143 -12.112 93 HG21 VAL 11 HG21 VAL 11 82.622 -2.522 -14.212 94 HG22 VAL 11 HG22 VAL 11 81.295 -1.801 -13.303 95 HG23 VAL 11 HG23 VAL 11 80.954 -2.818 -14.700 96 H GLN 12 H GLN 12 83.836 -1.666 -12.505 97 HA GLN 12 HA GLN 12 86.050 -3.255 -13.595 98 HB2 GLN 12 HB2 GLN 12 86.715 -1.258 -14.739 99 HB3 GLN 12 HB1 GLN 12 84.973 -1.453 -14.935 100 HG2 GLN 12 HG2 GLN 12 84.696 0.078 -12.917 101 HG3 GLN 12 HG1 GLN 12 86.420 0.426 -13.058 102 HE21 GLN 12 HE21 GLN 12 85.566 -0.141 -16.171 103 HE22 GLN 12 HE22 GLN 12 85.134 1.423 -16.654 104 H LYS 13 H LYS 13 85.379 -1.130 -10.892 105 HA LYS 13 HA LYS 13 88.264 -0.905 -10.345 106 HB2 LYS 13 HB2 LYS 13 86.631 1.090 -10.343 107 HB3 LYS 13 HB3 LYS 13 86.128 0.486 -8.764 108 HG2 LYS 13 HG2 LYS 13 87.848 1.935 -8.156 109 HG3 LYS 13 HG3 LYS 13 88.731 0.417 -8.302 110 HD2 LYS 13 HD2 LYS 13 90.081 1.814 -9.578 111 HD3 LYS 13 HD3 LYS 13 89.003 1.195 -10.828 112 HE2 LYS 13 HE2 LYS 13 89.008 3.540 -11.168 113 HE3 LYS 13 HE3 LYS 13 87.511 3.231 -10.291 114 HZ1 LYS 13 HZ1 LYS 13 88.580 5.052 -9.251 115 HZ2 LYS 13 HZ2 LYS 13 90.072 4.241 -9.190 116 HZ3 LYS 13 HZ3 LYS 13 88.779 3.722 -8.218 117 H CYS 14 H CYS 14 85.377 -1.419 -8.248 118 HA CYS 14 HA CYS 14 87.082 -2.659 -6.265 119 HB2 CYS 14 HB2 CYS 14 84.105 -2.600 -6.055 120 HB3 CYS 14 HB1 CYS 14 85.310 -2.460 -4.780 121 H ALA 15 H ALA 15 84.594 -3.857 -8.488 122 HA ALA 15 HA ALA 15 84.088 -6.331 -7.415 123 HB1 ALA 15 HB1 ALA 15 84.352 -5.394 -10.250 124 HB2 ALA 15 HB2 ALA 15 82.904 -5.877 -9.367 125 HB3 ALA 15 HB3 ALA 15 84.052 -7.098 -9.911 126 H GLN 16 H GLN 16 87.038 -5.199 -8.859 127 HA GLN 16 HA GLN 16 88.352 -7.478 -9.619 128 HB2 GLN 16 HB2 GLN 16 89.393 -5.068 -8.139 129 HB3 GLN 16 HB1 GLN 16 90.445 -6.321 -8.790 130 HG2 GLN 16 HG2 GLN 16 88.477 -5.432 -10.763 131 HG3 GLN 16 HG1 GLN 16 89.467 -4.095 -10.185 132 HE21 GLN 16 HE21 GLN 16 89.439 -5.861 -12.790 133 HE22 GLN 16 HE22 GLN 16 91.080 -6.247 -12.991 134 H CYS 17 H CYS 17 88.567 -6.116 -6.300 135 HA CYS 17 HA CYS 17 88.981 -8.885 -5.326 136 HB2 CYS 17 HB2 CYS 17 90.177 -6.719 -3.713 137 HB3 CYS 17 HB1 CYS 17 90.829 -8.296 -4.144 138 H HIS 18 H HSD 18 86.417 -8.036 -5.378 139 HA HIS 18 HA HSD 18 85.790 -7.912 -2.542 140 HB2 HIS 18 HB2 HSD 18 85.220 -5.626 -4.400 141 HB3 HIS 18 HB1 HSD 18 84.103 -5.980 -3.086 142 HD1 HIS 18 HD1 HSD 18 84.982 -5.682 -0.645 143 HD2 HIS 18 HD2 HSD 18 87.736 -4.612 -3.580 144 HE1 HIS 18 HE1 HSD 18 86.815 -4.388 0.532 145 H THR 19 H THR 19 83.200 -7.595 -2.440 146 HA THR 19 HA THR 19 81.936 -9.233 -4.532 147 HB THR 19 HB THR 19 81.076 -9.929 -1.807 148 HG1 THR 19 HG1 THR 19 82.991 -11.207 -1.492 149 HG21 THR 19 HG21 THR 19 82.190 -11.728 -3.952 150 HG22 THR 19 HG22 THR 19 80.566 -11.052 -4.071 151 HG23 THR 19 HG23 THR 19 80.986 -12.103 -2.720 152 H VAL 20 H VAL 20 81.582 -7.199 -1.673 153 HA VAL 20 HA VAL 20 79.841 -5.910 -0.902 154 HB VAL 20 HB VAL 20 79.138 -4.222 -2.477 155 HG11 VAL 20 HG11 VAL 20 81.513 -4.261 -1.649 156 HG12 VAL 20 HG12 VAL 20 81.317 -3.447 -3.201 157 HG13 VAL 20 HG13 VAL 20 81.967 -5.083 -3.140 158 HG21 VAL 20 HG21 VAL 20 79.436 -4.417 -4.836 159 HG22 VAL 20 HG22 VAL 20 78.687 -5.930 -4.335 160 HG23 VAL 20 HG23 VAL 20 80.416 -5.868 -4.664 161 H GLU 21 H GLU 21 79.016 -8.631 -1.524 162 HA GLU 21 HA GLU 21 76.159 -8.071 -2.039 163 HB2 GLU 21 HB2 GLU 21 75.908 -9.954 -3.430 164 HB3 GLU 21 HB3 GLU 21 77.396 -9.197 -3.995 165 HG2 GLU 21 HG2 GLU 21 78.600 -10.777 -2.340 166 HG3 GLU 21 HG3 GLU 21 77.078 -11.665 -2.294 167 H LYS 22 H LYS 22 74.984 -8.590 -0.331 168 HA LYS 22 HA LYS 22 75.972 -9.892 1.945 169 HB2 LYS 22 HB2 LYS 22 73.910 -8.369 1.705 170 HB3 LYS 22 HB3 LYS 22 73.048 -9.821 1.206 171 HG2 LYS 22 HG2 LYS 22 74.678 -10.012 3.707 172 HG3 LYS 22 HG3 LYS 22 73.202 -9.056 3.786 173 HD2 LYS 22 HD2 LYS 22 71.931 -10.987 2.863 174 HD3 LYS 22 HD3 LYS 22 73.411 -11.945 2.890 175 HE2 LYS 22 HE2 LYS 22 73.543 -11.876 5.259 176 HE3 LYS 22 HE3 LYS 22 72.362 -10.571 5.365 177 HZ1 LYS 22 HZ1 LYS 22 70.631 -11.977 5.034 178 HZ2 LYS 22 HZ2 LYS 22 71.700 -13.067 5.777 179 HZ3 LYS 22 HZ3 LYS 22 71.527 -13.062 4.087 180 H GLY 23 H GLY 23 76.038 -11.965 2.602 181 HA2 GLY 23 HA2 GLY 23 75.752 -14.256 2.609 182 HA3 GLY 23 HA3 GLY 23 74.441 -14.049 1.452 183 H GLY 24 H GLY 24 77.550 -12.677 0.756 184 HA2 GLY 24 HA2 GLY 24 77.860 -14.560 -1.483 185 HA3 GLY 24 HA3 GLY 24 78.657 -12.999 -1.323 186 H LYS 25 H LYS 25 80.758 -13.577 -1.486 187 HA LYS 25 HA LYS 25 81.920 -15.017 0.766 188 HB2 LYS 25 HB2 LYS 25 83.329 -16.355 -0.967 189 HB3 LYS 25 HB3 LYS 25 81.699 -16.915 -0.590 190 HG2 LYS 25 HG2 LYS 25 80.809 -16.092 -2.605 191 HG3 LYS 25 HG3 LYS 25 82.156 -14.983 -2.856 192 HD2 LYS 25 HD2 LYS 25 83.639 -16.758 -3.444 193 HD3 LYS 25 HD3 LYS 25 82.514 -17.985 -2.862 194 HE2 LYS 25 HE2 LYS 25 81.653 -16.114 -5.051 195 HE3 LYS 25 HE3 LYS 25 82.673 -17.498 -5.441 196 HZ1 LYS 25 HZ1 LYS 25 80.870 -18.755 -5.386 197 HZ2 LYS 25 HZ2 LYS 25 79.908 -17.443 -4.895 198 HZ3 LYS 25 HZ3 LYS 25 80.686 -18.413 -3.736 199 H HIS 26 H HIS 26 83.656 -13.920 1.412 200 HA HIS 26 HA HIS 26 84.620 -11.619 0.183 201 HB2 HIS 26 HB2 HIS 26 86.781 -12.323 1.619 202 HB3 HIS 26 HB1 HIS 26 85.316 -11.688 2.365 203 HD1 HIS 26 HD1 HIS 26 86.586 -15.128 1.269 204 HD2 HIS 26 HD2 HIS 26 84.416 -13.356 4.357 205 HE1 HIS 26 HE1 HIS 26 86.025 -16.979 2.904 206 HE2 HIS 26 HE2 HIS 26 84.703 -15.915 4.793 207 H LYS 27 H LYS 27 85.608 -11.388 -1.688 208 HA LYS 27 HA LYS 27 87.276 -13.585 -2.742 209 HB2 LYS 27 HB2 LYS 27 85.298 -12.657 -4.074 210 HB3 LYS 27 HB3 LYS 27 86.260 -11.194 -4.278 211 HG2 LYS 27 HG2 LYS 27 86.900 -12.371 -6.176 212 HG3 LYS 27 HG3 LYS 27 88.131 -12.915 -5.039 213 HD2 LYS 27 HD2 LYS 27 87.398 -14.953 -5.897 214 HD3 LYS 27 HD3 LYS 27 86.356 -14.797 -4.483 215 HE2 LYS 27 HE2 LYS 27 84.898 -15.377 -6.276 216 HE3 LYS 27 HE3 LYS 27 84.672 -13.645 -6.039 217 HZ1 LYS 27 HZ1 LYS 27 85.055 -14.540 -8.403 218 HZ2 LYS 27 HZ2 LYS 27 86.688 -14.633 -7.945 219 HZ3 LYS 27 HZ3 LYS 27 85.879 -13.139 -7.919 220 H THR 28 H THR 28 89.364 -13.316 -2.236 221 HA THR 28 HA THR 28 91.370 -12.274 -1.747 222 HB THR 28 HB THR 28 90.583 -10.607 -4.149 223 HG1 THR 28 HG1 THR 28 91.507 -13.247 -3.863 224 HG21 THR 28 HG21 THR 28 92.600 -9.693 -3.489 225 HG22 THR 28 HG22 THR 28 93.203 -11.047 -4.441 226 HG23 THR 28 HG23 THR 28 93.129 -11.171 -2.684 227 H GLY 29 H GLY 29 88.924 -11.147 -0.516 228 HA2 GLY 29 HA2 GLY 29 90.003 -9.005 0.887 229 HA3 GLY 29 HA3 GLY 29 89.072 -8.311 -0.438 230 HA PRO 30 HA PRO 30 86.343 -9.752 3.216 231 HB2 PRO 30 HB2 PRO 30 85.931 -7.348 4.464 232 HB3 PRO 30 HB1 PRO 30 87.243 -8.460 4.901 233 HG2 PRO 30 HG2 PRO 30 87.329 -6.002 3.217 234 HG3 PRO 30 HG1 PRO 30 88.490 -6.585 4.422 235 HD2 PRO 30 HD2 PRO 30 88.875 -6.894 1.730 236 HD3 PRO 30 HD1 PRO 30 89.514 -8.036 2.933 237 H ASN 31 H ASN 31 84.065 -9.070 3.578 238 HA ASN 31 HA ASN 31 82.900 -8.058 1.097 239 HB2 ASN 31 HB2 ASN 31 80.883 -9.014 1.827 240 HB3 ASN 31 HB1 ASN 31 82.100 -10.122 2.455 241 HD21 ASN 31 HD21 ASN 31 81.985 -10.555 4.664 242 HD22 ASN 31 HD22 ASN 31 81.139 -9.606 5.790 243 H LEU 32 H LEU 32 81.206 -6.391 1.168 244 HA LEU 32 HA LEU 32 81.711 -4.413 3.317 245 HB2 LEU 32 HB2 LEU 32 80.734 -3.812 0.518 246 HB3 LEU 32 HB3 LEU 32 81.236 -2.655 1.744 247 HG LEU 32 HG LEU 32 82.960 -4.587 0.179 248 HD11 LEU 32 HD11 LEU 32 84.253 -2.375 -0.110 249 HD12 LEU 32 HD12 LEU 32 82.822 -1.587 0.551 250 HD13 LEU 32 HD13 LEU 32 82.709 -2.509 -0.947 251 HD21 LEU 32 HD21 LEU 32 84.813 -3.463 1.682 252 HD22 LEU 32 HD22 LEU 32 83.944 -4.867 2.282 253 HD23 LEU 32 HD23 LEU 32 83.492 -3.256 2.825 254 H HIS 33 H HIS 33 79.782 -6.538 3.523 255 HA HIS 33 HA HIS 33 77.156 -5.702 2.878 256 HB2 HIS 33 HB2 HIS 33 77.974 -7.395 5.250 257 HB3 HIS 33 HB1 HIS 33 76.408 -7.378 4.441 258 HD1 HIS 33 HD1 HIS 33 78.473 -9.862 4.700 259 HD2 HIS 33 HD2 HIS 33 77.784 -7.528 1.315 260 HE1 HIS 33 HE1 HIS 33 79.154 -11.271 2.709 261 HE2 HIS 33 HE2 HIS 33 78.734 -9.865 0.637 262 H GLY 34 H GLY 34 75.641 -4.492 4.011 263 HA2 GLY 34 HA2 GLY 34 75.160 -2.540 5.241 264 HA3 GLY 34 HA3 GLY 34 75.384 -3.699 6.550 265 H LEU 35 H LEU 35 77.810 -2.463 4.338 266 HA LEU 35 HA LEU 35 79.855 -2.094 6.131 267 HB2 LEU 35 HB2 LEU 35 80.194 -2.036 3.739 268 HB3 LEU 35 HB3 LEU 35 79.203 -0.589 3.592 269 HG LEU 35 HG LEU 35 80.990 0.383 5.318 270 HD11 LEU 35 HD11 LEU 35 82.088 -1.980 5.300 271 HD12 LEU 35 HD12 LEU 35 83.133 -0.564 5.193 272 HD13 LEU 35 HD13 LEU 35 82.741 -1.480 3.742 273 HD21 LEU 35 HD21 LEU 35 81.790 0.031 2.427 274 HD22 LEU 35 HD22 LEU 35 82.094 1.413 3.477 275 HD23 LEU 35 HD23 LEU 35 80.459 1.081 2.911 276 H PHE 36 H PHE 36 77.760 0.511 4.886 277 HA PHE 36 HA PHE 36 78.730 2.551 6.514 278 HB2 PHE 36 HB2 PHE 36 75.815 2.519 5.859 279 HB3 PHE 36 HB1 PHE 36 76.986 3.831 5.709 280 HD1 PHE 36 HD2 PHE 36 75.909 0.589 4.250 281 HD2 PHE 36 HD1 PHE 36 78.183 4.187 3.662 282 HE1 PHE 36 HE2 PHE 36 76.254 -0.014 1.880 283 HE2 PHE 36 HE1 PHE 36 78.524 3.580 1.285 284 HZ PHE 36 HZ PHE 36 77.558 1.478 0.390 285 H GLY 37 H GLY 37 79.045 2.047 8.663 286 HA2 GLY 37 HA2 GLY 37 77.500 2.649 10.663 287 HA3 GLY 37 HA3 GLY 37 76.708 1.147 10.219 288 H ARG 38 H ARG 38 79.241 -0.200 9.500 289 HA ARG 38 HA ARG 38 79.969 -0.993 12.211 290 HB2 ARG 38 HB2 ARG 38 80.119 -2.176 9.526 291 HB3 ARG 38 HB3 ARG 38 81.532 -2.509 10.526 292 HG2 ARG 38 HG2 ARG 38 79.999 -3.276 12.352 293 HG3 ARG 38 HG3 ARG 38 78.640 -3.064 11.248 294 HD2 ARG 38 HD2 ARG 38 80.989 -4.731 10.397 295 HD3 ARG 38 HD3 ARG 38 79.781 -5.425 11.471 296 HE ARG 38 HE ARG 38 78.230 -4.423 9.521 297 HH11 ARG 38 HH21 ARG 38 81.160 -6.282 9.433 298 HH12 ARG 38 HH22 ARG 38 80.781 -7.051 7.930 299 HH21 ARG 38 HH11 ARG 38 77.734 -5.445 7.561 300 HH22 ARG 38 HH12 ARG 38 78.843 -6.586 6.876 301 H LYS 39 H LYS 39 82.038 -0.981 13.080 302 HA LYS 39 HA LYS 39 83.677 1.245 12.351 303 HB2 LYS 39 HB2 LYS 39 83.722 -0.866 14.451 304 HB3 LYS 39 HB3 LYS 39 85.244 -0.053 14.095 305 HG2 LYS 39 HG2 LYS 39 82.765 1.601 14.491 306 HG3 LYS 39 HG3 LYS 39 83.593 0.947 15.903 307 HD2 LYS 39 HD2 LYS 39 85.727 1.974 15.052 308 HD3 LYS 39 HD3 LYS 39 84.788 2.744 13.773 309 HE2 LYS 39 HE2 LYS 39 83.524 4.029 15.344 310 HE3 LYS 39 HE3 LYS 39 84.121 3.078 16.703 311 HZ1 LYS 39 HZ1 LYS 39 85.973 4.282 16.814 312 HZ2 LYS 39 HZ2 LYS 39 85.187 5.409 15.813 313 HZ3 LYS 39 HZ3 LYS 39 86.220 4.243 15.136 314 H THR 40 H THR 40 86.099 0.971 12.077 315 HA THR 40 HA THR 40 86.615 -0.459 9.702 316 HB THR 40 HB THR 40 89.041 0.134 10.253 317 HG1 THR 40 HG1 THR 40 87.895 1.773 12.217 318 HG21 THR 40 HG21 THR 40 88.452 2.663 10.093 319 HG22 THR 40 HG22 THR 40 86.781 2.107 10.016 320 HG23 THR 40 HG23 THR 40 87.937 1.599 8.784 321 H GLY 41 H GLY 41 87.671 -2.336 9.262 322 HA2 GLY 41 HA2 GLY 41 88.401 -4.483 9.581 323 HA3 GLY 41 HA3 GLY 41 89.197 -3.877 11.030 324 H GLN 42 H GLN 42 85.778 -4.300 10.095 325 HA GLN 42 HA GLN 42 85.368 -5.779 12.634 326 HB2 GLN 42 HB2 GLN 42 83.571 -3.915 11.095 327 HB3 GLN 42 HB1 GLN 42 82.936 -5.032 12.301 328 HG2 GLN 42 HG2 GLN 42 85.276 -3.316 13.048 329 HG3 GLN 42 HG1 GLN 42 83.681 -2.572 12.975 330 HE21 GLN 42 HE21 GLN 42 83.782 -5.962 13.801 331 HE22 GLN 42 HE22 GLN 42 83.472 -5.765 15.458 332 H ALA 43 H ALA 43 85.120 -5.952 9.193 333 HA ALA 43 HA ALA 43 83.082 -7.890 8.973 334 HB1 ALA 43 HB1 ALA 43 83.476 -7.600 6.785 335 HB2 ALA 43 HB2 ALA 43 85.110 -8.239 6.944 336 HB3 ALA 43 HB3 ALA 43 84.803 -6.524 7.221 337 HA PRO 44 HA PRO 44 85.522 -11.248 10.715 338 HB2 PRO 44 HB2 PRO 44 83.563 -13.111 10.821 339 HB3 PRO 44 HB1 PRO 44 83.605 -11.730 11.936 340 HG2 PRO 44 HG2 PRO 44 81.963 -12.129 9.479 341 HG3 PRO 44 HG1 PRO 44 81.503 -11.429 11.041 342 HD2 PRO 44 HD2 PRO 44 82.153 -9.928 8.813 343 HD3 PRO 44 HD1 PRO 44 82.301 -9.341 10.486 344 H GLY 45 H GLY 45 86.986 -12.063 9.276 345 HA2 GLY 45 HA2 GLY 45 86.697 -14.352 7.848 346 HA3 GLY 45 HA3 GLY 45 86.180 -13.118 6.705 347 H PHE 46 H PHE 46 87.714 -11.359 6.242 348 HA PHE 46 HA PHE 46 90.313 -12.398 5.686 349 HB2 PHE 46 HB2 PHE 46 88.930 -10.614 4.394 350 HB3 PHE 46 HB1 PHE 46 89.620 -9.474 5.549 351 HD1 PHE 46 HD1 PHE 46 90.660 -12.283 3.287 352 HD2 PHE 46 HD2 PHE 46 91.705 -8.522 5.080 353 HE1 PHE 46 HE1 PHE 46 92.768 -12.246 1.982 354 HE2 PHE 46 HE2 PHE 46 93.813 -8.485 3.774 355 HZ PHE 46 HZ PHE 46 94.344 -10.347 2.225 356 H THR 47 H THR 47 92.340 -11.553 6.409 357 HA THR 47 HA THR 47 92.364 -10.987 9.252 358 HB THR 47 HB THR 47 94.620 -11.292 7.259 359 HG1 THR 47 HG1 THR 47 93.860 -13.263 7.478 360 HG21 THR 47 HG21 THR 47 94.553 -10.966 10.261 361 HG22 THR 47 HG22 THR 47 95.463 -10.017 9.085 362 HG23 THR 47 HG23 THR 47 95.929 -11.684 9.423 363 H TYR 48 H TYR 48 91.436 -8.907 9.335 364 HA TYR 48 HA TYR 48 92.263 -6.676 7.848 365 HB2 TYR 48 HB2 TYR 48 90.850 -7.082 10.447 366 HB3 TYR 48 HB3 TYR 48 91.419 -5.463 10.058 367 HD1 TYR 48 HD2 TYR 48 90.967 -4.743 7.527 368 HD2 TYR 48 HD1 TYR 48 88.705 -7.657 9.722 369 HE1 TYR 48 HE2 TYR 48 89.047 -4.394 6.006 370 HE2 TYR 48 HE1 TYR 48 86.782 -7.301 8.203 371 HH TYR 48 HH TYR 48 86.306 -4.793 6.400 372 H THR 49 H THR 49 93.624 -4.942 8.350 373 HA THR 49 HA THR 49 96.049 -5.716 9.745 374 HB THR 49 HB THR 49 96.918 -3.568 8.928 375 HG1 THR 49 HG1 THR 49 94.564 -2.739 9.111 376 HG21 THR 49 HG21 THR 49 95.451 -5.414 7.069 377 HG22 THR 49 HG22 THR 49 97.188 -5.192 7.280 378 HG23 THR 49 HG23 THR 49 96.243 -3.981 6.416 379 H ASP 50 H ASP 50 96.970 -4.581 11.507 380 HA ASP 50 HA ASP 50 95.356 -4.038 13.663 381 HB2 ASP 50 HB2 ASP 50 98.058 -2.844 13.001 382 HB3 ASP 50 HB1 ASP 50 97.285 -2.732 14.582 383 H ALA 51 H ALA 51 96.547 -1.748 11.228 384 HA ALA 51 HA ALA 51 95.618 0.633 12.327 385 HB1 ALA 51 HB1 ALA 51 95.733 -0.196 9.416 386 HB2 ALA 51 HB2 ALA 51 97.016 0.595 10.333 387 HB3 ALA 51 HB3 ALA 51 95.518 1.459 9.987 388 H ASN 52 H ASN 52 93.903 -1.803 10.417 389 HA ASN 52 HA ASN 52 91.433 -0.286 10.414 390 HB2 ASN 52 HB2 ASN 52 92.375 -2.889 9.311 391 HB3 ASN 52 HB1 ASN 52 90.649 -2.734 9.625 392 HD21 ASN 52 HD21 ASN 52 90.352 -2.788 7.219 393 HD22 ASN 52 HD22 ASN 52 90.624 -1.371 6.321 394 H LYS 53 H LYS 53 92.991 -2.669 12.385 395 HA LYS 53 HA LYS 53 90.566 -3.426 13.794 396 HB2 LYS 53 HB2 LYS 53 91.794 -5.198 14.475 397 HB3 LYS 53 HB3 LYS 53 93.059 -4.618 13.397 398 HG2 LYS 53 HG2 LYS 53 93.946 -3.211 15.279 399 HG3 LYS 53 HG3 LYS 53 92.747 -3.949 16.342 400 HD2 LYS 53 HD2 LYS 53 94.289 -5.936 14.815 401 HD3 LYS 53 HD3 LYS 53 95.297 -4.943 15.867 402 HE2 LYS 53 HE2 LYS 53 94.463 -6.965 17.035 403 HE3 LYS 53 HE3 LYS 53 93.869 -5.484 17.786 404 HZ1 LYS 53 HZ1 LYS 53 92.039 -6.944 17.576 405 HZ2 LYS 53 HZ2 LYS 53 92.403 -7.294 15.953 406 HZ3 LYS 53 HZ3 LYS 53 91.837 -5.752 16.386 407 H ASN 54 H ASN 54 92.805 -0.920 13.847 408 HA ASN 54 HA ASN 54 92.942 -0.332 16.617 409 HB2 ASN 54 HB2 ASN 54 94.070 1.555 15.963 410 HB3 ASN 54 HB1 ASN 54 94.263 0.591 14.508 411 HD21 ASN 54 HD21 ASN 54 91.574 0.912 13.475 412 HD22 ASN 54 HD22 ASN 54 91.382 2.540 13.035 413 H LYS 55 H LYS 55 90.493 0.002 14.279 414 HA LYS 55 HA LYS 55 88.380 0.921 14.314 415 HB2 LYS 55 HB2 LYS 55 88.501 1.171 17.296 416 HB3 LYS 55 HB3 LYS 55 87.178 0.620 16.269 417 HG2 LYS 55 HG2 LYS 55 88.810 -1.358 15.692 418 HG3 LYS 55 HG3 LYS 55 89.616 -0.883 17.185 419 HD2 LYS 55 HD2 LYS 55 88.000 -2.581 17.750 420 HD3 LYS 55 HD3 LYS 55 87.389 -1.042 18.355 421 HE2 LYS 55 HE2 LYS 55 85.626 -1.024 16.898 422 HE3 LYS 55 HE3 LYS 55 86.572 -1.717 15.583 423 HZ1 LYS 55 HZ1 LYS 55 86.483 -3.756 17.310 424 HZ2 LYS 55 HZ2 LYS 55 85.384 -3.542 16.034 425 HZ3 LYS 55 HZ3 LYS 55 84.977 -3.034 17.603 426 H GLY 56 H GLY 56 89.835 2.796 13.468 427 HA2 GLY 56 HA2 GLY 56 90.060 5.070 15.254 428 HA3 GLY 56 HA3 GLY 56 90.514 5.025 13.554 429 H ILE 57 H ILE 57 88.146 4.245 12.360 430 HA ILE 57 HA ILE 57 86.109 6.171 13.242 431 HB ILE 57 HB ILE 57 85.922 7.163 11.033 432 HG12 ILE 57 HG12 ILE 57 87.891 6.580 9.413 433 HG13 ILE 57 HG13 ILE 57 88.028 5.103 10.364 434 HG21 ILE 57 HG21 ILE 57 88.835 7.140 11.864 435 HG22 ILE 57 HG22 ILE 57 87.585 8.055 12.707 436 HG23 ILE 57 HG23 ILE 57 87.974 8.434 11.029 437 HD11 ILE 57 HD11 ILE 57 86.138 4.214 9.467 438 HD12 ILE 57 HD12 ILE 57 86.366 5.413 8.201 439 HD13 ILE 57 HD13 ILE 57 85.265 5.742 9.534 440 H THR 58 H THR 58 84.134 5.974 11.718 441 HA THR 58 HA THR 58 83.639 3.093 11.278 442 HB THR 58 HB THR 58 81.728 5.334 11.965 443 HG1 THR 58 HG1 THR 58 82.916 3.199 13.342 444 HG21 THR 58 HG21 THR 58 81.266 2.412 11.338 445 HG22 THR 58 HG22 THR 58 80.585 3.805 10.500 446 HG23 THR 58 HG23 THR 58 80.077 3.431 12.146 447 H TRP 59 H TRP 59 82.795 2.378 9.372 448 HA TRP 59 HA TRP 59 83.181 3.934 7.037 449 HB2 TRP 59 HB2 TRP 59 81.329 1.563 7.176 450 HB3 TRP 59 HB1 TRP 59 82.327 2.105 5.827 451 HD1 TRP 59 HD1 TRP 59 85.082 2.440 7.296 452 HE1 TRP 59 HE1 TRP 59 86.369 0.350 8.097 453 HE3 TRP 59 HE3 TRP 59 81.265 -0.936 7.524 454 HZ2 TRP 59 HZ2 TRP 59 85.833 -2.380 8.783 455 HZ3 TRP 59 HZ3 TRP 59 81.675 -3.265 8.246 456 HH2 TRP 59 HH2 TRP 59 83.957 -3.992 8.871 457 H LYS 60 H LYS 60 81.818 5.152 5.847 458 HA LYS 60 HA LYS 60 78.958 5.162 6.307 459 HB2 LYS 60 HB2 LYS 60 80.683 7.534 7.060 460 HB3 LYS 60 HB3 LYS 60 78.939 7.629 6.820 461 HG2 LYS 60 HG2 LYS 60 78.758 5.731 8.542 462 HG3 LYS 60 HG3 LYS 60 80.445 6.071 8.926 463 HD2 LYS 60 HD2 LYS 60 78.343 8.242 8.922 464 HD3 LYS 60 HD3 LYS 60 78.683 7.271 10.354 465 HE2 LYS 60 HE2 LYS 60 81.088 7.932 10.175 466 HE3 LYS 60 HE3 LYS 60 80.659 9.001 8.840 467 HZ1 LYS 60 HZ1 LYS 60 79.017 10.035 10.413 468 HZ2 LYS 60 HZ2 LYS 60 80.654 10.319 10.771 469 HZ3 LYS 60 HZ3 LYS 60 79.772 9.170 11.660 470 H GLU 61 H GLU 61 78.352 7.577 5.076 471 HA GLU 61 HA GLU 61 78.913 6.934 2.339 472 HB2 GLU 61 HB2 GLU 61 76.784 8.011 3.273 473 HB3 GLU 61 HB3 GLU 61 77.705 9.514 3.336 474 HG2 GLU 61 HG2 GLU 61 78.221 9.267 0.914 475 HG3 GLU 61 HG3 GLU 61 77.215 7.821 0.870 476 H GLU 62 H GLU 62 79.612 9.846 4.297 477 HA GLU 62 HA GLU 62 81.396 10.959 2.383 478 HB2 GLU 62 HB2 GLU 62 80.954 11.505 5.321 479 HB3 GLU 62 HB3 GLU 62 82.090 12.424 4.334 480 HG2 GLU 62 HG2 GLU 62 79.191 12.062 3.554 481 HG3 GLU 62 HG3 GLU 62 79.741 13.411 4.550 482 H THR 63 H THR 63 81.929 9.134 5.391 483 HA THR 63 HA THR 63 84.696 9.246 5.521 484 HB THR 63 HB THR 63 84.578 7.079 6.696 485 HG1 THR 63 HG1 THR 63 82.797 6.440 5.130 486 HG21 THR 63 HG21 THR 63 82.789 7.764 8.363 487 HG22 THR 63 HG22 THR 63 82.418 9.104 7.278 488 HG23 THR 63 HG23 THR 63 84.015 8.983 8.016 489 H LEU 64 H LEU 64 82.610 7.211 3.544 490 HA LEU 64 HA LEU 64 84.690 5.576 2.497 491 HB2 LEU 64 HB2 LEU 64 81.825 5.989 1.996 492 HB3 LEU 64 HB3 LEU 64 82.742 5.545 0.563 493 HG LEU 64 HG LEU 64 82.980 4.025 3.166 494 HD11 LEU 64 HD11 LEU 64 80.808 4.041 1.203 495 HD12 LEU 64 HD12 LEU 64 80.876 3.287 2.792 496 HD13 LEU 64 HD13 LEU 64 81.529 2.443 1.388 497 HD21 LEU 64 HD21 LEU 64 83.625 2.230 1.366 498 HD22 LEU 64 HD22 LEU 64 84.809 3.463 1.790 499 HD23 LEU 64 HD23 LEU 64 83.867 3.619 0.308 500 H MET 65 H MET 65 83.284 8.670 1.559 501 HA MET 65 HA MET 65 84.368 8.832 -1.037 502 HB2 MET 65 HB2 MET 65 83.747 11.050 0.921 503 HB3 MET 65 HB1 MET 65 84.078 11.278 -0.796 504 HG2 MET 65 HG2 MET 65 82.142 10.005 -1.424 505 HG3 MET 65 HG1 MET 65 81.884 9.474 0.236 506 HE1 MET 65 HE1 MET 65 81.861 12.164 -2.335 507 HE2 MET 65 HE2 MET 65 80.524 13.203 -1.845 508 HE3 MET 65 HE3 MET 65 80.219 11.512 -2.233 509 H GLU 66 H GLU 66 85.622 10.295 1.978 510 HA GLU 66 HA GLU 66 88.053 11.181 0.862 511 HB2 GLU 66 HB2 GLU 66 87.370 10.407 3.710 512 HB3 GLU 66 HB3 GLU 66 88.855 11.231 3.228 513 HG2 GLU 66 HG2 GLU 66 86.094 12.300 2.602 514 HG3 GLU 66 HG3 GLU 66 87.002 12.761 4.041 515 H TYR 67 H TYR 67 86.989 8.110 2.098 516 HA TYR 67 HA TYR 67 89.615 6.913 2.188 517 HB2 TYR 67 HB2 TYR 67 88.019 6.010 3.696 518 HB3 TYR 67 HB3 TYR 67 86.804 5.861 2.435 519 HD1 TYR 67 HD2 TYR 67 86.955 4.090 0.725 520 HD2 TYR 67 HD1 TYR 67 89.793 4.370 3.939 521 HE1 TYR 67 HE2 TYR 67 87.716 1.777 0.256 522 HE2 TYR 67 HE1 TYR 67 90.551 2.056 3.471 523 HH TYR 67 HH TYR 67 90.304 0.522 0.915 524 H LEU 68 H LEU 68 87.069 7.320 -0.140 525 HA LEU 68 HA LEU 68 88.020 5.268 -1.938 526 HB2 LEU 68 HB2 LEU 68 85.797 7.247 -1.894 527 HB3 LEU 68 HB3 LEU 68 86.347 6.721 -3.478 528 HG LEU 68 HG LEU 68 85.560 4.837 -1.234 529 HD11 LEU 68 HD11 LEU 68 83.543 5.857 -1.862 530 HD12 LEU 68 HD12 LEU 68 83.591 4.419 -2.876 531 HD13 LEU 68 HD13 LEU 68 84.015 5.992 -3.553 532 HD21 LEU 68 HD21 LEU 68 85.317 3.422 -3.521 533 HD22 LEU 68 HD22 LEU 68 86.807 3.469 -2.583 534 HD23 LEU 68 HD23 LEU 68 86.622 4.504 -3.995 535 H GLU 69 H GLU 69 88.863 8.507 -1.263 536 HA GLU 69 HA GLU 69 90.043 8.917 -3.929 537 HB2 GLU 69 HB2 GLU 69 89.990 11.171 -3.510 538 HB3 GLU 69 HB3 GLU 69 88.698 10.680 -2.419 539 HG2 GLU 69 HG2 GLU 69 90.544 10.425 -0.636 540 HG3 GLU 69 HG3 GLU 69 91.563 11.344 -1.742 541 H ASN 70 H ASN 70 90.839 7.745 -0.888 542 HA ASN 70 HA ASN 70 93.569 7.320 -1.548 543 HB2 ASN 70 HB2 ASN 70 93.349 9.852 -0.844 544 HB3 ASN 70 HB1 ASN 70 93.316 9.186 0.785 545 HD21 ASN 70 HD21 ASN 70 95.128 7.012 0.474 546 HD22 ASN 70 HD22 ASN 70 96.668 7.632 0.118 547 HA PRO 71 HA PRO 71 91.179 4.592 1.503 548 HB2 PRO 71 HB2 PRO 71 92.940 2.725 -0.040 549 HB3 PRO 71 HB1 PRO 71 91.267 2.504 0.507 550 HG2 PRO 71 HG2 PRO 71 91.851 3.097 -2.031 551 HG3 PRO 71 HG1 PRO 71 90.394 3.712 -1.235 552 HD2 PRO 71 HD2 PRO 71 92.864 5.168 -2.003 553 HD3 PRO 71 HD1 PRO 71 91.218 5.790 -1.756 554 H LYS 72 H LYS 72 94.615 4.665 0.585 555 HA LYS 72 HA LYS 72 95.485 3.353 2.987 556 HB2 LYS 72 HB2 LYS 72 96.753 3.222 0.876 557 HB3 LYS 72 HB3 LYS 72 97.068 4.951 0.966 558 HG2 LYS 72 HG2 LYS 72 99.016 4.030 1.897 559 HG3 LYS 72 HG3 LYS 72 98.060 4.426 3.320 560 HD2 LYS 72 HD2 LYS 72 99.001 2.172 3.537 561 HD3 LYS 72 HD3 LYS 72 97.248 2.080 3.413 562 HE2 LYS 72 HE2 LYS 72 97.316 1.047 1.367 563 HE3 LYS 72 HE3 LYS 72 98.732 1.958 0.838 564 HZ1 LYS 72 HZ1 LYS 72 99.903 0.559 2.668 565 HZ2 LYS 72 HZ2 LYS 72 99.608 -0.119 1.137 566 HZ3 LYS 72 HZ3 LYS 72 98.594 -0.495 2.447 567 H LYS 73 H LYS 73 95.635 6.726 1.835 568 HA LYS 73 HA LYS 73 96.961 7.755 4.074 569 HB2 LYS 73 HB2 LYS 73 96.659 8.966 1.922 570 HB3 LYS 73 HB3 LYS 73 94.963 9.207 2.329 571 HG2 LYS 73 HG2 LYS 73 96.876 10.009 4.450 572 HG3 LYS 73 HG3 LYS 73 96.961 10.969 2.976 573 HD2 LYS 73 HD2 LYS 73 94.279 10.377 4.211 574 HD3 LYS 73 HD3 LYS 73 95.282 11.667 4.871 575 HE2 LYS 73 HE2 LYS 73 95.430 12.684 2.607 576 HE3 LYS 73 HE3 LYS 73 94.360 11.424 1.992 577 HZ1 LYS 73 HZ1 LYS 73 93.720 13.786 3.465 578 HZ2 LYS 73 HZ2 LYS 73 93.067 12.396 4.188 579 HZ3 LYS 73 HZ3 LYS 73 92.704 12.766 2.570 580 H TYR 74 H TYR 74 93.579 6.988 3.562 581 HA TYR 74 HA TYR 74 92.538 8.485 5.737 582 HB2 TYR 74 HB2 TYR 74 91.380 7.152 3.710 583 HB3 TYR 74 HB3 TYR 74 91.205 5.933 4.971 584 HD1 TYR 74 HD1 TYR 74 90.857 9.658 4.593 585 HD2 TYR 74 HD2 TYR 74 89.256 6.033 6.254 586 HE1 TYR 74 HE1 TYR 74 88.961 10.935 5.554 587 HE2 TYR 74 HE2 TYR 74 87.362 7.311 7.216 588 HH TYR 74 HH TYR 74 87.005 10.802 6.610 589 H ILE 75 H ILE 75 93.222 4.991 5.460 590 HA ILE 75 HA ILE 75 93.739 4.948 8.376 591 HB ILE 75 HB ILE 75 92.417 2.729 6.797 592 HG12 ILE 75 HG12 ILE 75 91.085 4.523 8.834 593 HG13 ILE 75 HG13 ILE 75 91.077 4.919 7.116 594 HG21 ILE 75 HG21 ILE 75 93.596 1.885 8.722 595 HG22 ILE 75 HG22 ILE 75 91.886 1.946 9.149 596 HG23 ILE 75 HG23 ILE 75 92.986 3.193 9.738 597 HD11 ILE 75 HD11 ILE 75 89.965 2.833 6.578 598 HD12 ILE 75 HD12 ILE 75 89.050 3.633 7.856 599 HD13 ILE 75 HD13 ILE 75 90.109 2.279 8.247 600 HA PRO 76 HA PRO 76 97.484 3.717 5.773 601 HB2 PRO 76 HB2 PRO 76 98.543 4.522 8.465 602 HB3 PRO 76 HB1 PRO 76 99.227 4.816 6.852 603 HG2 PRO 76 HG2 PRO 76 97.932 6.729 8.181 604 HG3 PRO 76 HG1 PRO 76 97.807 6.570 6.420 605 HD2 PRO 76 HD2 PRO 76 95.773 5.968 8.501 606 HD3 PRO 76 HD1 PRO 76 95.547 6.378 6.787 607 H GLY 77 H GLY 77 98.102 1.639 5.697 608 HA2 GLY 77 HA2 GLY 77 99.168 -0.236 6.894 609 HA3 GLY 77 HA3 GLY 77 97.984 0.012 8.174 610 H THR 78 H THR 78 95.803 0.530 6.284 611 HA THR 78 HA THR 78 94.696 -2.016 6.064 612 HB THR 78 HB THR 78 93.438 0.139 5.944 613 HG1 THR 78 HG1 THR 78 92.222 -0.677 3.945 614 HG21 THR 78 HG21 THR 78 94.310 0.173 3.053 615 HG22 THR 78 HG22 THR 78 95.110 1.133 4.297 616 HG23 THR 78 HG23 THR 78 93.408 1.410 3.928 617 H LYS 79 H LYS 79 94.734 -3.608 4.545 618 HA LYS 79 HA LYS 79 96.783 -3.427 2.489 619 HB2 LYS 79 HB2 LYS 79 94.874 -5.652 3.246 620 HB3 LYS 79 HB3 LYS 79 96.116 -5.786 2.003 621 HG2 LYS 79 HG2 LYS 79 97.568 -4.802 4.130 622 HG3 LYS 79 HG3 LYS 79 96.388 -5.827 4.944 623 HD2 LYS 79 HD2 LYS 79 98.142 -6.713 2.633 624 HD3 LYS 79 HD3 LYS 79 98.454 -7.071 4.331 625 HE2 LYS 79 HE2 LYS 79 96.091 -8.089 4.377 626 HE3 LYS 79 HE3 LYS 79 96.159 -8.027 2.617 627 HZ1 LYS 79 HZ1 LYS 79 97.469 -9.796 2.575 628 HZ2 LYS 79 HZ2 LYS 79 97.202 -9.986 4.243 629 HZ3 LYS 79 HZ3 LYS 79 98.551 -9.113 3.689 630 H MET 80 H MET 80 96.014 -1.905 1.008 631 HA MET 80 HA MET 80 94.364 -2.918 -1.064 632 HB2 MET 80 HB2 MET 80 92.496 -2.455 0.389 633 HB3 MET 80 HB1 MET 80 93.114 -0.843 0.750 634 HG2 MET 80 HG2 MET 80 92.645 -0.043 -1.420 635 HG3 MET 80 HG1 MET 80 92.521 -1.669 -2.090 636 HE1 MET 80 HE1 MET 80 90.565 1.309 -1.361 637 HE2 MET 80 HE2 MET 80 89.069 0.576 -1.927 638 HE3 MET 80 HE3 MET 80 90.549 0.368 -2.858 639 H ILE 81 H ILE 81 95.947 -2.252 -2.447 640 HA ILE 81 HA ILE 81 96.227 0.667 -2.803 641 HB ILE 81 HB ILE 81 98.467 -1.371 -2.929 642 HG12 ILE 81 HG12 ILE 81 99.314 0.391 -1.120 643 HG13 ILE 81 HG13 ILE 81 97.589 0.681 -0.913 644 HG21 ILE 81 HG21 ILE 81 98.324 1.586 -3.556 645 HG22 ILE 81 HG22 ILE 81 98.844 0.280 -4.621 646 HG23 ILE 81 HG23 ILE 81 99.845 0.747 -3.246 647 HD11 ILE 81 HD11 ILE 81 99.208 -1.687 -0.178 648 HD12 ILE 81 HD12 ILE 81 97.639 -2.050 -0.893 649 HD13 ILE 81 HD13 ILE 81 97.737 -1.059 0.559 650 H PHE 82 H PHE 82 94.908 0.764 -4.588 651 HA PHE 82 HA PHE 82 95.872 -0.679 -6.985 652 HB2 PHE 82 HB2 PHE 82 93.802 -1.740 -6.197 653 HB3 PHE 82 HB1 PHE 82 92.984 -0.178 -6.222 654 HD1 PHE 82 HD1 PHE 82 95.109 -2.285 -8.497 655 HD2 PHE 82 HD2 PHE 82 91.714 0.322 -8.115 656 HE1 PHE 82 HE1 PHE 82 94.599 -2.596 -10.902 657 HE2 PHE 82 HE2 PHE 82 91.207 0.009 -10.522 658 HZ PHE 82 HZ PHE 82 92.648 -1.450 -11.915 659 H ALA 83 H ALA 83 93.323 1.731 -6.361 660 HA ALA 83 HA ALA 83 94.757 3.933 -7.435 661 HB1 ALA 83 HB1 ALA 83 94.453 2.587 -9.522 662 HB2 ALA 83 HB2 ALA 83 93.678 4.169 -9.587 663 HB3 ALA 83 HB3 ALA 83 92.709 2.723 -9.305 664 H GLY 84 H GLY 84 93.886 5.490 -6.235 665 HA2 GLY 84 HA2 GLY 84 91.296 5.366 -5.080 666 HA3 GLY 84 HA3 GLY 84 92.345 6.780 -5.111 667 H ILE 85 H ILE 85 89.810 7.395 -5.354 668 HA ILE 85 HA ILE 85 88.991 7.429 -8.160 669 HB ILE 85 HB ILE 85 87.710 8.465 -5.628 670 HG12 ILE 85 HG12 ILE 85 87.895 5.906 -6.342 671 HG13 ILE 85 HG13 ILE 85 86.399 6.545 -5.671 672 HG21 ILE 85 HG21 ILE 85 86.869 8.652 -8.519 673 HG22 ILE 85 HG22 ILE 85 86.922 9.932 -7.307 674 HG23 ILE 85 HG23 ILE 85 85.684 8.679 -7.215 675 HD11 ILE 85 HD11 ILE 85 86.883 6.571 -8.645 676 HD12 ILE 85 HD12 ILE 85 85.351 6.660 -7.775 677 HD13 ILE 85 HD13 ILE 85 86.242 5.139 -7.839 678 H LYS 86 H LYS 86 88.406 9.472 -9.214 679 HA LYS 86 HA LYS 86 90.369 11.564 -8.572 680 HB2 LYS 86 HB2 LYS 86 88.799 10.894 -11.057 681 HB3 LYS 86 HB3 LYS 86 89.698 12.402 -10.887 682 HG2 LYS 86 HG2 LYS 86 91.777 11.238 -10.623 683 HG3 LYS 86 HG3 LYS 86 90.957 9.686 -10.445 684 HD2 LYS 86 HD2 LYS 86 90.287 9.663 -12.735 685 HD3 LYS 86 HD3 LYS 86 90.718 11.360 -12.951 686 HE2 LYS 86 HE2 LYS 86 93.047 10.895 -12.827 687 HE3 LYS 86 HE3 LYS 86 92.767 9.277 -12.184 688 HZ1 LYS 86 HZ1 LYS 86 91.887 8.567 -14.251 689 HZ2 LYS 86 HZ2 LYS 86 93.353 9.356 -14.586 690 HZ3 LYS 86 HZ3 LYS 86 91.876 10.143 -14.875 691 H LYS 87 H LYS 87 87.108 11.696 -10.035 692 HA LYS 87 HA LYS 87 86.641 14.279 -8.811 693 HB2 LYS 87 HB2 LYS 87 84.799 12.534 -10.460 694 HB3 LYS 87 HB3 LYS 87 84.515 14.221 -10.032 695 HG2 LYS 87 HG2 LYS 87 87.068 13.459 -11.431 696 HG3 LYS 87 HG3 LYS 87 85.585 13.633 -12.366 697 HD2 LYS 87 HD2 LYS 87 85.291 15.919 -11.369 698 HD3 LYS 87 HD3 LYS 87 86.873 15.740 -10.608 699 HE2 LYS 87 HE2 LYS 87 87.974 15.592 -12.737 700 HE3 LYS 87 HE3 LYS 87 86.436 15.444 -13.588 701 HZ1 LYS 87 HZ1 LYS 87 86.111 17.638 -13.538 702 HZ2 LYS 87 HZ2 LYS 87 87.772 17.753 -13.195 703 HZ3 LYS 87 HZ3 LYS 87 86.636 17.791 -11.932 704 H LYS 88 H LYS 88 84.716 14.774 -7.560 705 HA LYS 88 HA LYS 88 84.386 12.974 -5.361 706 HB2 LYS 88 HB2 LYS 88 84.236 15.541 -5.322 707 HB3 LYS 88 HB3 LYS 88 82.601 15.332 -5.952 708 HG2 LYS 88 HG2 LYS 88 82.022 13.910 -4.031 709 HG3 LYS 88 HG3 LYS 88 83.663 14.066 -3.407 710 HD2 LYS 88 HD2 LYS 88 82.609 15.738 -2.191 711 HD3 LYS 88 HD3 LYS 88 83.134 16.665 -3.596 712 HE2 LYS 88 HE2 LYS 88 80.914 16.301 -4.646 713 HE3 LYS 88 HE3 LYS 88 80.392 15.426 -3.206 714 HZ1 LYS 88 HZ1 LYS 88 81.223 17.606 -2.043 715 HZ2 LYS 88 HZ2 LYS 88 79.661 17.505 -2.704 716 HZ3 LYS 88 HZ3 LYS 88 80.901 18.286 -3.563 717 H THR 89 H THR 89 82.441 13.848 -8.186 718 HA THR 89 HA THR 89 80.084 12.485 -7.415 719 HB THR 89 HB THR 89 79.572 12.466 -9.860 720 HG1 THR 89 HG1 THR 89 81.753 12.261 -10.547 721 HG21 THR 89 HG21 THR 89 79.509 14.936 -10.075 722 HG22 THR 89 HG22 THR 89 80.613 15.069 -8.706 723 HG23 THR 89 HG23 THR 89 78.997 14.404 -8.473 724 H GLU 90 H GLU 90 83.115 11.413 -8.752 725 HA GLU 90 HA GLU 90 82.227 8.878 -9.704 726 HB2 GLU 90 HB2 GLU 90 84.906 10.018 -8.937 727 HB3 GLU 90 HB3 GLU 90 84.737 8.303 -9.312 728 HG2 GLU 90 HG2 GLU 90 83.865 8.812 -11.514 729 HG3 GLU 90 HG3 GLU 90 83.827 10.535 -11.144 730 H ARG 91 H ARG 91 83.335 10.139 -6.625 731 HA ARG 91 HA ARG 91 83.401 7.587 -5.294 732 HB2 ARG 91 HB2 ARG 91 83.289 10.388 -4.139 733 HB3 ARG 91 HB3 ARG 91 83.700 8.917 -3.259 734 HG2 ARG 91 HG2 ARG 91 85.598 8.576 -4.879 735 HG3 ARG 91 HG3 ARG 91 85.249 10.174 -5.533 736 HD2 ARG 91 HD2 ARG 91 85.445 10.204 -2.614 737 HD3 ARG 91 HD3 ARG 91 86.923 9.626 -3.373 738 HE ARG 91 HE ARG 91 86.298 11.853 -4.820 739 HH11 ARG 91 HH21 ARG 91 86.649 11.138 -1.449 740 HH12 ARG 91 HH22 ARG 91 87.179 12.732 -1.028 741 HH21 ARG 91 HH11 ARG 91 86.993 13.941 -4.270 742 HH22 ARG 91 HH12 ARG 91 87.376 14.317 -2.623 743 H GLU 92 H GLU 92 81.223 10.407 -5.266 744 HA GLU 92 HA GLU 92 79.305 9.403 -3.495 745 HB2 GLU 92 HB2 GLU 92 79.466 11.759 -4.451 746 HB3 GLU 92 HB3 GLU 92 78.671 11.129 -5.894 747 HG2 GLU 92 HG2 GLU 92 76.797 10.316 -4.464 748 HG3 GLU 92 HG3 GLU 92 77.575 11.060 -3.069 749 H ASP 93 H ASP 93 79.306 9.292 -7.072 750 HA ASP 93 HA ASP 93 76.994 7.721 -7.353 751 HB2 ASP 93 HB2 ASP 93 79.432 7.753 -9.149 752 HB3 ASP 93 HB1 ASP 93 77.813 7.217 -9.595 753 H LEU 94 H LEU 94 80.417 6.787 -7.139 754 HA LEU 94 HA LEU 94 80.073 4.010 -7.394 755 HB2 LEU 94 HB2 LEU 94 82.283 5.038 -7.533 756 HB3 LEU 94 HB3 LEU 94 82.156 5.569 -5.858 757 HG LEU 94 HG LEU 94 82.106 3.269 -5.075 758 HD11 LEU 94 HD11 LEU 94 80.981 2.022 -6.695 759 HD12 LEU 94 HD12 LEU 94 82.648 1.513 -6.950 760 HD13 LEU 94 HD13 LEU 94 81.919 2.709 -8.022 761 HD21 LEU 94 HD21 LEU 94 84.302 4.452 -5.660 762 HD22 LEU 94 HD22 LEU 94 84.323 3.465 -7.121 763 HD23 LEU 94 HD23 LEU 94 84.369 2.695 -5.537 764 H ILE 95 H ILE 95 79.817 6.171 -4.646 765 HA ILE 95 HA ILE 95 79.610 4.057 -2.731 766 HB ILE 95 HB ILE 95 79.295 7.035 -2.627 767 HG12 ILE 95 HG12 ILE 95 80.989 5.440 -0.763 768 HG13 ILE 95 HG13 ILE 95 81.464 5.411 -2.454 769 HG21 ILE 95 HG21 ILE 95 77.570 6.404 -1.127 770 HG22 ILE 95 HG22 ILE 95 78.980 6.623 -0.091 771 HG23 ILE 95 HG23 ILE 95 78.469 4.999 -0.555 772 HD11 ILE 95 HD11 ILE 95 82.250 7.334 -0.705 773 HD12 ILE 95 HD12 ILE 95 80.811 8.092 -1.376 774 HD13 ILE 95 HD13 ILE 95 82.119 7.588 -2.441 775 H ALA 96 H ALA 96 77.398 5.904 -4.686 776 HA ALA 96 HA ALA 96 75.013 5.328 -3.267 777 HB1 ALA 96 HB1 ALA 96 73.963 5.651 -5.596 778 HB2 ALA 96 HB2 ALA 96 75.601 5.995 -6.150 779 HB3 ALA 96 HB3 ALA 96 74.854 7.014 -4.920 780 H TYR 97 H TYR 97 76.903 3.602 -5.678 781 HA TYR 97 HA TYR 97 75.002 1.478 -6.027 782 HB2 TYR 97 HB2 TYR 97 76.555 1.866 -7.820 783 HB3 TYR 97 HB3 TYR 97 77.934 1.730 -6.728 784 HD1 TYR 97 HD1 TYR 97 75.039 -0.188 -8.110 785 HD2 TYR 97 HD2 TYR 97 78.921 -0.374 -6.284 786 HE1 TYR 97 HE1 TYR 97 75.095 -2.638 -8.481 787 HE2 TYR 97 HE2 TYR 97 78.977 -2.826 -6.655 788 HH TYR 97 HH TYR 97 77.850 -4.603 -7.360 789 H LEU 98 H LEU 98 78.169 1.715 -4.380 790 HA LEU 98 HA LEU 98 78.311 -0.764 -3.217 791 HB2 LEU 98 HB2 LEU 98 79.162 1.955 -2.263 792 HB3 LEU 98 HB3 LEU 98 79.395 0.550 -1.230 793 HG LEU 98 HG LEU 98 80.306 0.416 -4.093 794 HD11 LEU 98 HD11 LEU 98 81.209 2.548 -3.061 795 HD12 LEU 98 HD12 LEU 98 82.431 1.390 -3.570 796 HD13 LEU 98 HD13 LEU 98 82.015 1.536 -1.864 797 HD21 LEU 98 HD21 LEU 98 81.526 -0.677 -1.552 798 HD22 LEU 98 HD22 LEU 98 81.849 -1.193 -3.207 799 HD23 LEU 98 HD23 LEU 98 80.288 -1.541 -2.460 800 H LYS 99 H LYS 99 76.111 1.820 -2.505 801 HA LYS 99 HA LYS 99 75.310 0.828 0.076 802 HB2 LYS 99 HB2 LYS 99 74.303 2.969 -1.772 803 HB3 LYS 99 HB3 LYS 99 73.346 2.471 -0.378 804 HG2 LYS 99 HG2 LYS 99 75.157 3.012 1.140 805 HG3 LYS 99 HG3 LYS 99 76.247 3.333 -0.209 806 HD2 LYS 99 HD2 LYS 99 75.396 5.447 0.688 807 HD3 LYS 99 HD3 LYS 99 74.768 5.191 -0.938 808 HE2 LYS 99 HE2 LYS 99 72.617 4.676 -0.170 809 HE3 LYS 99 HE3 LYS 99 73.189 4.241 1.440 810 HZ1 LYS 99 HZ1 LYS 99 73.853 6.927 0.840 811 HZ2 LYS 99 HZ2 LYS 99 72.914 6.315 2.118 812 HZ3 LYS 99 HZ3 LYS 99 72.188 6.681 0.625 813 H LYS 100 H LYS 100 73.858 0.814 -3.181 814 HA LYS 100 HA LYS 100 71.638 -0.822 -2.300 815 HB2 LYS 100 HB2 LYS 100 71.643 0.914 -4.211 816 HB3 LYS 100 HB3 LYS 100 72.417 -0.347 -5.170 817 HG2 LYS 100 HG2 LYS 100 70.393 -1.800 -4.139 818 HG3 LYS 100 HG3 LYS 100 69.631 -0.211 -4.102 819 HD2 LYS 100 HD2 LYS 100 69.057 -0.953 -6.240 820 HD3 LYS 100 HD3 LYS 100 70.522 -0.031 -6.571 821 HE2 LYS 100 HE2 LYS 100 71.750 -2.305 -6.183 822 HE3 LYS 100 HE3 LYS 100 70.160 -3.018 -6.449 823 HZ1 LYS 100 HZ1 LYS 100 71.970 -1.875 -8.336 824 HZ2 LYS 100 HZ2 LYS 100 70.427 -1.172 -8.445 825 HZ3 LYS 100 HZ3 LYS 100 70.611 -2.854 -8.603 826 H ALA 101 H ALA 101 74.836 -1.398 -3.313 827 HA ALA 101 HA ALA 101 74.327 -4.056 -4.379 828 HB1 ALA 101 HB1 ALA 101 76.637 -4.132 -4.882 829 HB2 ALA 101 HB2 ALA 101 77.020 -2.887 -3.693 830 HB3 ALA 101 HB3 ALA 101 76.168 -2.458 -5.176 831 H THR 102 H THR 102 75.413 -2.547 -1.409 832 HA THR 102 HA THR 102 76.154 -5.104 -0.205 833 HB THR 102 HB THR 102 76.632 -3.691 1.797 834 HG1 THR 102 HG1 THR 102 75.377 -1.851 0.140 835 HG21 THR 102 HG21 THR 102 77.806 -2.929 -0.881 836 HG22 THR 102 HG22 THR 102 78.456 -4.056 0.308 837 HG23 THR 102 HG23 THR 102 78.454 -2.325 0.644 838 H ASN 103 H ASN 103 73.358 -3.508 -0.843 839 HA ASN 103 HA ASN 103 71.983 -4.232 1.647 840 HB2 ASN 103 HB2 ASN 103 71.276 -2.566 -0.757 841 HB3 ASN 103 HB1 ASN 103 70.039 -3.103 0.371 842 HD21 ASN 103 HD21 ASN 103 73.305 -2.393 1.491 843 HD22 ASN 103 HD22 ASN 103 72.895 -0.977 2.331 844 H GLU 104 H GLU 104 72.438 -5.256 -1.619 845 HA GLU 104 HA GLU 104 70.236 -6.632 -2.373 846 HB2 GLU 104 HB2 GLU 104 73.092 -7.630 -2.446 847 HB3 GLU 104 HB3 GLU 104 71.761 -8.359 -3.344 848 HG2 GLU 104 HG2 GLU 104 71.382 -6.299 -4.568 849 HG3 GLU 104 HG3 GLU 104 72.573 -5.451 -3.584 850 HHA HEC 201 HA HEC 105 89.372 -3.520 3.206 851 HHB HEC 201 HB HEC 105 85.547 -0.020 -0.412 852 HHC HEC 201 HC HEC 105 88.853 -1.732 -5.528 853 HHD HEC 201 HD HEC 105 92.232 -5.736 -1.982 854 HMA1 HEC 201 HMA1 HEC 105 85.111 -0.531 3.288 855 HMA2 HEC 201 HMA2 HEC 105 84.605 -0.296 1.618 856 HMA3 HEC 201 HMA3 HEC 105 85.751 0.823 2.356 857 HAA1 HEC 201 HAA1 HEC 105 86.946 -0.961 4.505 858 HAA2 HEC 201 HAA2 HEC 105 88.411 -1.921 4.463 859 HBA1 HEC 201 HBA1 HEC 105 87.278 -3.919 4.706 860 HBA2 HEC 201 HBA2 HEC 105 85.804 -3.302 3.967 861 HMB1 HEC 201 HMB1 HEC 105 84.141 0.152 -2.684 862 HMB2 HEC 201 HMB2 HEC 105 84.837 1.185 -3.926 863 HMB3 HEC 201 HMB3 HEC 105 85.150 1.522 -2.228 864 HAB HEC 201 HAB HEC 105 87.374 -0.504 -6.176 865 HBB1 HEC 201 HBB1 HEC 105 86.703 2.024 -4.719 866 HBB2 HEC 201 HBB2 HEC 105 87.981 1.712 -5.887 867 HBB3 HEC 201 HBB3 HEC 105 86.318 1.916 -6.435 868 HMC1 HEC 201 HMC1 HEC 105 91.229 -4.288 -6.912 869 HMC2 HEC 201 HMC2 HEC 105 91.424 -2.558 -6.635 870 HMC3 HEC 201 HMC3 HEC 105 89.817 -3.239 -6.873 871 HAC HEC 201 HAC HEC 105 92.696 -6.135 -3.906 872 HBC1 HEC 201 HBC1 HEC 105 93.251 -3.981 -5.871 873 HBC2 HEC 201 HBC2 HEC 105 93.710 -5.607 -6.377 874 HBC3 HEC 201 HBC3 HEC 105 94.369 -4.926 -4.890 875 HMD1 HEC 201 HMD1 HEC 105 93.349 -6.468 1.515 876 HMD2 HEC 201 HMD2 HEC 105 93.445 -6.280 -0.232 877 HMD3 HEC 201 HMD3 HEC 105 92.354 -7.476 0.466 878 HAD1 HEC 201 HAD1 HEC 105 91.954 -6.274 3.189 879 HAD2 HEC 201 HAD2 HEC 105 90.451 -5.526 3.692 880 HBD1 HEC 201 HBD1 HEC 105 91.610 -3.350 3.891 881 HBD2 HEC 201 HBD2 HEC 105 93.122 -4.128 3.431 882 H1 HOH 301 H2 HOH 200 79.817 3.508 -0.676 883 H2 HOH 301 H1 HOH 200 80.634 2.237 -0.583 884 H1 HOH 302 H2 HOH 201 87.206 5.614 6.164 885 H2 HOH 302 H1 HOH 201 86.239 5.345 5.033 886 H1 HOH 303 H2 HOH 202 81.161 -6.170 5.300 887 H2 HOH 303 H1 HOH 202 81.797 -6.485 6.638 888 H1 HOH 304 H2 HOH 203 82.257 -11.157 0.502 889 H2 HOH 304 H1 HOH 203 81.350 -9.994 0.169 Start of MODEL 28 1 H1 GLY 1 H1 GLY 1 74.819 11.974 -6.662 2 H2 GLY 1 H2 GLY 1 73.174 11.612 -6.450 3 H3 GLY 1 H3 GLY 1 73.833 11.697 -8.013 4 HA2 GLY 1 HA2 GLY 1 75.419 9.842 -6.991 5 HA3 GLY 1 HA3 GLY 1 73.951 9.549 -6.056 6 H ASP 2 H ASP 2 75.372 8.150 -8.407 7 HA ASP 2 HA ASP 2 72.910 7.665 -9.959 8 HB2 ASP 2 HB2 ASP 2 75.662 8.139 -11.122 9 HB3 ASP 2 HB1 ASP 2 74.274 7.537 -12.028 10 H VAL 3 H VAL 3 72.718 5.770 -8.685 11 HA VAL 3 HA VAL 3 74.550 3.795 -8.193 12 HB VAL 3 HB VAL 3 72.265 3.678 -7.364 13 HG11 VAL 3 HG11 VAL 3 70.407 3.114 -8.878 14 HG12 VAL 3 HG12 VAL 3 71.510 3.142 -10.254 15 HG13 VAL 3 HG13 VAL 3 71.165 4.628 -9.368 16 HG21 VAL 3 HG21 VAL 3 72.701 1.334 -9.230 17 HG22 VAL 3 HG22 VAL 3 71.890 1.327 -7.664 18 HG23 VAL 3 HG23 VAL 3 73.633 1.568 -7.753 19 H GLU 4 H GLU 4 73.323 4.810 -11.245 20 HA GLU 4 HA GLU 4 73.819 2.375 -12.677 21 HB2 GLU 4 HB2 GLU 4 73.690 5.174 -13.811 22 HB3 GLU 4 HB3 GLU 4 73.388 3.657 -14.659 23 HG2 GLU 4 HG2 GLU 4 71.508 3.254 -12.976 24 HG3 GLU 4 HG3 GLU 4 71.711 4.938 -12.494 25 H LYS 5 H LYS 5 75.523 5.521 -12.701 26 HA LYS 5 HA LYS 5 77.802 4.428 -14.056 27 HB2 LYS 5 HB2 LYS 5 77.352 7.040 -12.595 28 HB3 LYS 5 HB3 LYS 5 78.851 6.643 -13.433 29 HG2 LYS 5 HG2 LYS 5 77.581 6.309 -15.533 30 HG3 LYS 5 HG3 LYS 5 76.094 6.749 -14.692 31 HD2 LYS 5 HD2 LYS 5 78.525 8.542 -14.974 32 HD3 LYS 5 HD3 LYS 5 77.056 8.671 -15.941 33 HE2 LYS 5 HE2 LYS 5 75.885 8.772 -13.562 34 HE3 LYS 5 HE3 LYS 5 77.481 9.316 -13.044 35 HZ1 LYS 5 HZ1 LYS 5 75.720 11.010 -13.900 36 HZ2 LYS 5 HZ2 LYS 5 76.274 10.523 -15.431 37 HZ3 LYS 5 HZ3 LYS 5 77.356 11.197 -14.307 38 H GLY 6 H GLY 6 76.742 4.536 -10.808 39 HA2 GLY 6 HA2 GLY 6 79.311 4.373 -9.540 40 HA3 GLY 6 HA3 GLY 6 77.757 3.964 -8.806 41 H LYS 7 H LYS 7 76.959 2.140 -10.858 42 HA LYS 7 HA LYS 7 78.145 -0.258 -9.880 43 HB2 LYS 7 HB2 LYS 7 75.785 -0.032 -10.728 44 HB3 LYS 7 HB3 LYS 7 76.447 0.080 -12.358 45 HG2 LYS 7 HG2 LYS 7 77.598 -2.120 -11.974 46 HG3 LYS 7 HG3 LYS 7 76.751 -2.240 -10.434 47 HD2 LYS 7 HD2 LYS 7 75.291 -3.415 -11.811 48 HD3 LYS 7 HD3 LYS 7 74.610 -1.794 -11.926 49 HE2 LYS 7 HE2 LYS 7 75.815 -1.400 -14.018 50 HE3 LYS 7 HE3 LYS 7 76.602 -2.973 -13.887 51 HZ1 LYS 7 HZ1 LYS 7 74.015 -2.334 -14.878 52 HZ2 LYS 7 HZ2 LYS 7 73.917 -3.481 -13.629 53 HZ3 LYS 7 HZ3 LYS 7 74.881 -3.788 -14.993 54 H LYS 8 H LYS 8 78.400 1.576 -12.922 55 HA LYS 8 HA LYS 8 80.055 -0.223 -14.309 56 HB2 LYS 8 HB2 LYS 8 78.986 1.645 -15.433 57 HB3 LYS 8 HB3 LYS 8 79.909 2.795 -14.466 58 HG2 LYS 8 HG2 LYS 8 81.567 0.790 -15.878 59 HG3 LYS 8 HG3 LYS 8 80.680 1.877 -16.945 60 HD2 LYS 8 HD2 LYS 8 82.199 2.999 -14.598 61 HD3 LYS 8 HD3 LYS 8 83.053 2.588 -16.085 62 HE2 LYS 8 HE2 LYS 8 80.562 4.289 -16.142 63 HE3 LYS 8 HE3 LYS 8 82.150 5.001 -15.857 64 HZ1 LYS 8 HZ1 LYS 8 82.554 4.909 -18.015 65 HZ2 LYS 8 HZ2 LYS 8 81.011 4.255 -18.293 66 HZ3 LYS 8 HZ3 LYS 8 82.336 3.227 -18.018 67 H ILE 9 H ILE 9 80.884 2.502 -12.186 68 HA ILE 9 HA ILE 9 83.699 2.229 -12.443 69 HB ILE 9 HB ILE 9 82.049 3.465 -10.230 70 HG12 ILE 9 HG12 ILE 9 83.501 4.878 -12.475 71 HG13 ILE 9 HG13 ILE 9 81.837 4.322 -12.665 72 HG21 ILE 9 HG21 ILE 9 84.201 4.767 -9.872 73 HG22 ILE 9 HG22 ILE 9 84.992 3.598 -10.928 74 HG23 ILE 9 HG23 ILE 9 84.270 3.067 -9.409 75 HD11 ILE 9 HD11 ILE 9 82.017 6.706 -11.886 76 HD12 ILE 9 HD12 ILE 9 82.771 6.112 -10.405 77 HD13 ILE 9 HD13 ILE 9 81.107 5.669 -10.787 78 H PHE 10 H PHE 10 81.319 0.558 -10.577 79 HA PHE 10 HA PHE 10 83.180 -0.431 -8.595 80 HB2 PHE 10 HB2 PHE 10 81.045 -0.310 -7.704 81 HB3 PHE 10 HB1 PHE 10 80.278 -0.835 -9.201 82 HD1 PHE 10 HD1 PHE 10 80.221 -3.207 -9.829 83 HD2 PHE 10 HD2 PHE 10 81.970 -1.919 -6.129 84 HE1 PHE 10 HE1 PHE 10 80.220 -5.549 -9.019 85 HE2 PHE 10 HE2 PHE 10 81.972 -4.262 -5.315 86 HZ PHE 10 HZ PHE 10 81.097 -6.078 -6.764 87 H VAL 11 H VAL 11 81.354 -1.932 -11.278 88 HA VAL 11 HA VAL 11 82.352 -4.512 -11.048 89 HB VAL 11 HB VAL 11 81.819 -4.756 -13.461 90 HG11 VAL 11 HG11 VAL 11 80.093 -4.744 -11.568 91 HG12 VAL 11 HG12 VAL 11 79.477 -4.442 -13.193 92 HG13 VAL 11 HG13 VAL 11 79.709 -3.101 -12.075 93 HG21 VAL 11 HG21 VAL 11 81.285 -1.782 -13.262 94 HG22 VAL 11 HG22 VAL 11 80.926 -2.794 -14.659 95 HG23 VAL 11 HG23 VAL 11 82.600 -2.520 -14.173 96 H GLN 12 H GLN 12 83.823 -1.674 -12.477 97 HA GLN 12 HA GLN 12 86.020 -3.294 -13.555 98 HB2 GLN 12 HB2 GLN 12 86.729 -1.299 -14.684 99 HB3 GLN 12 HB1 GLN 12 84.988 -1.476 -14.905 100 HG2 GLN 12 HG2 GLN 12 84.659 0.077 -12.945 101 HG3 GLN 12 HG1 GLN 12 86.402 0.357 -12.949 102 HE21 GLN 12 HE21 GLN 12 86.005 -0.100 -16.091 103 HE22 GLN 12 HE22 GLN 12 85.581 1.457 -16.610 104 H LYS 13 H LYS 13 85.378 -1.155 -10.856 105 HA LYS 13 HA LYS 13 88.265 -0.961 -10.304 106 HB2 LYS 13 HB2 LYS 13 86.595 1.029 -10.300 107 HB3 LYS 13 HB3 LYS 13 86.167 0.443 -8.694 108 HG2 LYS 13 HG2 LYS 13 87.900 1.901 -8.165 109 HG3 LYS 13 HG3 LYS 13 88.800 0.400 -8.363 110 HD2 LYS 13 HD2 LYS 13 90.048 1.854 -9.692 111 HD3 LYS 13 HD3 LYS 13 88.946 1.171 -10.886 112 HE2 LYS 13 HE2 LYS 13 88.785 3.481 -11.290 113 HE3 LYS 13 HE3 LYS 13 87.395 3.173 -10.251 114 HZ1 LYS 13 HZ1 LYS 13 89.416 4.967 -9.791 115 HZ2 LYS 13 HZ2 LYS 13 89.748 3.683 -8.731 116 HZ3 LYS 13 HZ3 LYS 13 88.240 4.465 -8.677 117 H CYS 14 H CYS 14 85.370 -1.452 -8.217 118 HA CYS 14 HA CYS 14 87.061 -2.704 -6.230 119 HB2 CYS 14 HB2 CYS 14 84.090 -2.610 -6.002 120 HB3 CYS 14 HB1 CYS 14 85.309 -2.451 -4.744 121 H ALA 15 H ALA 15 84.572 -3.875 -8.465 122 HA ALA 15 HA ALA 15 84.026 -6.341 -7.378 123 HB1 ALA 15 HB1 ALA 15 82.845 -5.913 -9.329 124 HB2 ALA 15 HB2 ALA 15 84.012 -7.110 -9.889 125 HB3 ALA 15 HB3 ALA 15 84.284 -5.398 -10.208 126 H GLN 16 H GLN 16 86.992 -5.235 -8.803 127 HA GLN 16 HA GLN 16 88.307 -7.503 -9.571 128 HB2 GLN 16 HB2 GLN 16 89.310 -5.099 -8.061 129 HB3 GLN 16 HB1 GLN 16 90.393 -6.368 -8.630 130 HG2 GLN 16 HG2 GLN 16 89.689 -6.011 -10.927 131 HG3 GLN 16 HG1 GLN 16 88.462 -4.855 -10.410 132 HE21 GLN 16 HE21 GLN 16 91.940 -5.310 -10.890 133 HE22 GLN 16 HE22 GLN 16 92.354 -3.675 -10.702 134 H CYS 17 H CYS 17 88.615 -6.202 -6.234 135 HA CYS 17 HA CYS 17 88.975 -8.998 -5.312 136 HB2 CYS 17 HB2 CYS 17 90.134 -6.873 -3.623 137 HB3 CYS 17 HB1 CYS 17 90.814 -8.420 -4.114 138 H HIS 18 H HSD 18 86.385 -8.063 -5.372 139 HA HIS 18 HA HSD 18 85.748 -8.089 -2.537 140 HB2 HIS 18 HB2 HSD 18 85.171 -5.705 -4.279 141 HB3 HIS 18 HB1 HSD 18 84.156 -6.084 -2.889 142 HD1 HIS 18 HD1 HSD 18 86.646 -7.185 -1.139 143 HD2 HIS 18 HD2 HSD 18 86.371 -3.476 -3.015 144 HE1 HIS 18 HE1 HSD 18 88.243 -5.643 0.082 145 H THR 19 H THR 19 83.174 -7.704 -2.409 146 HA THR 19 HA THR 19 81.869 -9.199 -4.588 147 HB THR 19 HB THR 19 80.755 -10.087 -2.120 148 HG1 THR 19 HG1 THR 19 83.133 -11.127 -1.825 149 HG21 THR 19 HG21 THR 19 81.619 -12.284 -2.919 150 HG22 THR 19 HG22 THR 19 82.540 -11.438 -4.161 151 HG23 THR 19 HG23 THR 19 80.777 -11.387 -4.181 152 H VAL 20 H VAL 20 81.578 -7.218 -1.690 153 HA VAL 20 HA VAL 20 79.868 -5.903 -0.885 154 HB VAL 20 HB VAL 20 79.257 -4.136 -2.389 155 HG11 VAL 20 HG11 VAL 20 82.019 -5.131 -3.146 156 HG12 VAL 20 HG12 VAL 20 81.642 -4.315 -1.631 157 HG13 VAL 20 HG13 VAL 20 81.456 -3.460 -3.161 158 HG21 VAL 20 HG21 VAL 20 78.653 -5.734 -4.286 159 HG22 VAL 20 HG22 VAL 20 80.374 -5.797 -4.655 160 HG23 VAL 20 HG23 VAL 20 79.505 -4.269 -4.765 161 H GLU 21 H GLU 21 79.036 -8.621 -1.998 162 HA GLU 21 HA GLU 21 76.185 -7.950 -2.449 163 HB2 GLU 21 HB2 GLU 21 75.943 -9.886 -3.789 164 HB3 GLU 21 HB3 GLU 21 77.445 -9.137 -4.330 165 HG2 GLU 21 HG2 GLU 21 78.570 -10.689 -2.557 166 HG3 GLU 21 HG3 GLU 21 77.062 -11.600 -2.648 167 H LYS 22 H LYS 22 74.963 -8.332 -0.747 168 HA LYS 22 HA LYS 22 75.697 -9.516 1.624 169 HB2 LYS 22 HB2 LYS 22 73.574 -8.179 1.053 170 HB3 LYS 22 HB3 LYS 22 72.885 -9.722 0.556 171 HG2 LYS 22 HG2 LYS 22 72.240 -9.599 2.805 172 HG3 LYS 22 HG3 LYS 22 73.709 -10.569 2.889 173 HD2 LYS 22 HD2 LYS 22 75.007 -8.736 3.662 174 HD3 LYS 22 HD3 LYS 22 73.779 -7.561 3.192 175 HE2 LYS 22 HE2 LYS 22 73.216 -9.692 5.254 176 HE3 LYS 22 HE3 LYS 22 73.940 -8.146 5.695 177 HZ1 LYS 22 HZ1 LYS 22 71.423 -8.325 5.788 178 HZ2 LYS 22 HZ2 LYS 22 71.464 -8.294 4.088 179 HZ3 LYS 22 HZ3 LYS 22 72.071 -6.982 4.979 180 H GLY 23 H GLY 23 75.713 -11.544 2.476 181 HA2 GLY 23 HA2 GLY 23 75.791 -13.842 2.543 182 HA3 GLY 23 HA3 GLY 23 74.399 -13.808 1.467 183 H GLY 24 H GLY 24 77.481 -12.364 0.624 184 HA2 GLY 24 HA2 GLY 24 77.677 -14.163 -1.675 185 HA3 GLY 24 HA3 GLY 24 78.600 -12.688 -1.419 186 H LYS 25 H LYS 25 80.630 -13.461 -1.682 187 HA LYS 25 HA LYS 25 81.698 -15.095 0.482 188 HB2 LYS 25 HB2 LYS 25 82.939 -16.484 -1.344 189 HB3 LYS 25 HB3 LYS 25 81.277 -16.909 -0.933 190 HG2 LYS 25 HG2 LYS 25 80.407 -15.828 -2.866 191 HG3 LYS 25 HG3 LYS 25 81.928 -14.989 -3.173 192 HD2 LYS 25 HD2 LYS 25 83.022 -17.188 -3.590 193 HD3 LYS 25 HD3 LYS 25 81.459 -17.977 -3.379 194 HE2 LYS 25 HE2 LYS 25 81.883 -15.765 -5.395 195 HE3 LYS 25 HE3 LYS 25 82.149 -17.463 -5.793 196 HZ1 LYS 25 HZ1 LYS 25 79.898 -17.967 -5.259 197 HZ2 LYS 25 HZ2 LYS 25 79.888 -16.640 -6.319 198 HZ3 LYS 25 HZ3 LYS 25 79.620 -16.405 -4.658 199 H HIS 26 H HIS 26 83.414 -14.007 1.173 200 HA HIS 26 HA HIS 26 84.620 -11.852 -0.101 201 HB2 HIS 26 HB2 HIS 26 86.512 -12.227 1.494 202 HB3 HIS 26 HB1 HIS 26 84.927 -12.215 2.267 203 HD1 HIS 26 HD1 HIS 26 87.339 -14.785 0.792 204 HD2 HIS 26 HD2 HIS 26 84.486 -14.460 3.814 205 HE1 HIS 26 HE1 HIS 26 87.374 -16.983 2.048 206 HE2 HIS 26 HE2 HIS 26 85.639 -16.801 3.895 207 H LYS 27 H LYS 27 86.254 -11.598 -1.519 208 HA LYS 27 HA LYS 27 87.796 -13.962 -2.375 209 HB2 LYS 27 HB2 LYS 27 86.180 -12.111 -4.127 210 HB3 LYS 27 HB3 LYS 27 87.525 -13.058 -4.761 211 HG2 LYS 27 HG2 LYS 27 86.425 -15.075 -4.487 212 HG3 LYS 27 HG3 LYS 27 85.482 -14.498 -3.115 213 HD2 LYS 27 HD2 LYS 27 83.987 -14.779 -5.005 214 HD3 LYS 27 HD3 LYS 27 84.170 -13.054 -4.697 215 HE2 LYS 27 HE2 LYS 27 85.943 -12.976 -6.463 216 HE3 LYS 27 HE3 LYS 27 85.607 -14.671 -6.822 217 HZ1 LYS 27 HZ1 LYS 27 83.774 -12.359 -7.104 218 HZ2 LYS 27 HZ2 LYS 27 83.245 -13.971 -7.174 219 HZ3 LYS 27 HZ3 LYS 27 84.346 -13.385 -8.327 220 H THR 28 H THR 28 89.897 -13.501 -2.248 221 HA THR 28 HA THR 28 91.818 -12.247 -1.933 222 HB THR 28 HB THR 28 90.711 -10.735 -4.309 223 HG1 THR 28 HG1 THR 28 91.436 -12.379 -5.537 224 HG21 THR 28 HG21 THR 28 93.170 -10.587 -2.856 225 HG22 THR 28 HG22 THR 28 92.738 -9.744 -4.344 226 HG23 THR 28 HG23 THR 28 93.515 -11.323 -4.421 227 H GLY 29 H GLY 29 89.368 -11.326 -0.557 228 HA2 GLY 29 HA2 GLY 29 90.258 -9.124 0.798 229 HA3 GLY 29 HA3 GLY 29 89.368 -8.453 -0.565 230 HA PRO 30 HA PRO 30 86.538 -10.065 2.967 231 HB2 PRO 30 HB2 PRO 30 86.098 -7.734 4.348 232 HB3 PRO 30 HB1 PRO 30 87.369 -8.898 4.769 233 HG2 PRO 30 HG2 PRO 30 87.577 -6.338 3.260 234 HG3 PRO 30 HG1 PRO 30 88.674 -7.032 4.466 235 HD2 PRO 30 HD2 PRO 30 89.168 -7.159 1.779 236 HD3 PRO 30 HD1 PRO 30 89.727 -8.401 2.923 237 H ASN 31 H ASN 31 84.279 -9.128 3.468 238 HA ASN 31 HA ASN 31 83.166 -8.082 0.958 239 HB2 ASN 31 HB2 ASN 31 81.069 -8.923 1.720 240 HB3 ASN 31 HB1 ASN 31 82.262 -10.159 2.116 241 HD21 ASN 31 HD21 ASN 31 82.135 -10.915 4.227 242 HD22 ASN 31 HD22 ASN 31 81.483 -10.048 5.534 243 H LEU 32 H LEU 32 81.427 -6.438 1.115 244 HA LEU 32 HA LEU 32 81.980 -4.491 3.281 245 HB2 LEU 32 HB2 LEU 32 80.922 -3.849 0.521 246 HB3 LEU 32 HB3 LEU 32 81.442 -2.709 1.755 247 HG LEU 32 HG LEU 32 83.150 -4.590 0.112 248 HD11 LEU 32 HD11 LEU 32 82.958 -1.599 0.519 249 HD12 LEU 32 HD12 LEU 32 82.840 -2.507 -0.986 250 HD13 LEU 32 HD13 LEU 32 84.396 -2.345 -0.175 251 HD21 LEU 32 HD21 LEU 32 85.028 -3.474 1.569 252 HD22 LEU 32 HD22 LEU 32 84.175 -4.875 2.200 253 HD23 LEU 32 HD23 LEU 32 83.740 -3.261 2.747 254 H HIS 33 H HIS 33 80.072 -6.637 3.486 255 HA HIS 33 HA HIS 33 77.433 -5.824 2.899 256 HB2 HIS 33 HB2 HIS 33 78.430 -7.602 5.139 257 HB3 HIS 33 HB1 HIS 33 76.761 -7.493 4.580 258 HD1 HIS 33 HD1 HIS 33 78.609 -10.099 4.396 259 HD2 HIS 33 HD2 HIS 33 77.784 -7.461 1.274 260 HE1 HIS 33 HE1 HIS 33 78.974 -11.392 2.249 261 HE2 HIS 33 HE2 HIS 33 78.474 -9.798 0.337 262 H GLY 34 H GLY 34 75.903 -4.696 4.074 263 HA2 GLY 34 HA2 GLY 34 75.336 -2.801 5.333 264 HA3 GLY 34 HA3 GLY 34 75.685 -3.940 6.632 265 H LEU 35 H LEU 35 78.071 -2.717 4.391 266 HA LEU 35 HA LEU 35 80.050 -2.119 6.188 267 HB2 LEU 35 HB2 LEU 35 80.401 -2.152 3.777 268 HB3 LEU 35 HB3 LEU 35 79.392 -0.723 3.587 269 HG LEU 35 HG LEU 35 81.151 0.290 5.342 270 HD11 LEU 35 HD11 LEU 35 83.321 -0.610 5.182 271 HD12 LEU 35 HD12 LEU 35 82.913 -1.560 3.759 272 HD13 LEU 35 HD13 LEU 35 82.295 -2.036 5.338 273 HD21 LEU 35 HD21 LEU 35 82.262 1.332 3.498 274 HD22 LEU 35 HD22 LEU 35 80.615 1.017 2.954 275 HD23 LEU 35 HD23 LEU 35 81.930 -0.038 2.438 276 H PHE 36 H PHE 36 77.830 0.280 4.779 277 HA PHE 36 HA PHE 36 78.640 2.473 6.273 278 HB2 PHE 36 HB2 PHE 36 75.796 1.961 5.381 279 HB3 PHE 36 HB1 PHE 36 76.581 3.521 5.626 280 HD1 PHE 36 HD2 PHE 36 76.619 0.439 3.526 281 HD2 PHE 36 HD1 PHE 36 77.916 4.521 3.909 282 HE1 PHE 36 HE2 PHE 36 77.438 0.402 1.189 283 HE2 PHE 36 HE1 PHE 36 78.722 4.482 1.575 284 HZ PHE 36 HZ PHE 36 78.485 2.426 0.209 285 H GLY 37 H GLY 37 79.008 1.972 8.450 286 HA2 GLY 37 HA2 GLY 37 77.499 2.661 10.438 287 HA3 GLY 37 HA3 GLY 37 76.656 1.173 10.044 288 H ARG 38 H ARG 38 79.254 -0.182 9.339 289 HA ARG 38 HA ARG 38 79.894 -0.978 12.076 290 HB2 ARG 38 HB2 ARG 38 80.131 -2.176 9.400 291 HB3 ARG 38 HB3 ARG 38 81.503 -2.509 10.456 292 HG2 ARG 38 HG2 ARG 38 79.802 -3.185 12.238 293 HG3 ARG 38 HG3 ARG 38 78.585 -3.132 10.962 294 HD2 ARG 38 HD2 ARG 38 81.126 -4.723 10.636 295 HD3 ARG 38 HD3 ARG 38 79.723 -5.406 11.449 296 HE ARG 38 HE ARG 38 78.587 -4.593 9.189 297 HH11 ARG 38 HH21 ARG 38 81.643 -6.161 9.715 298 HH12 ARG 38 HH22 ARG 38 81.647 -6.953 8.176 299 HH21 ARG 38 HH11 ARG 38 78.597 -5.648 7.187 300 HH22 ARG 38 HH12 ARG 38 79.925 -6.670 6.753 301 H LYS 39 H LYS 39 81.913 -0.928 13.023 302 HA LYS 39 HA LYS 39 83.575 1.285 12.360 303 HB2 LYS 39 HB2 LYS 39 83.647 -0.909 14.388 304 HB3 LYS 39 HB3 LYS 39 85.111 0.033 14.115 305 HG2 LYS 39 HG2 LYS 39 82.532 1.519 14.464 306 HG3 LYS 39 HG3 LYS 39 83.275 0.806 15.895 307 HD2 LYS 39 HD2 LYS 39 85.396 1.977 15.367 308 HD3 LYS 39 HD3 LYS 39 84.624 2.718 13.967 309 HE2 LYS 39 HE2 LYS 39 82.867 3.619 15.598 310 HE3 LYS 39 HE3 LYS 39 83.970 3.137 16.888 311 HZ1 LYS 39 HZ1 LYS 39 85.039 5.033 16.562 312 HZ2 LYS 39 HZ2 LYS 39 84.083 5.411 15.210 313 HZ3 LYS 39 HZ3 LYS 39 85.497 4.488 15.023 314 H THR 40 H THR 40 86.017 1.008 12.158 315 HA THR 40 HA THR 40 86.588 -0.383 9.763 316 HB THR 40 HB THR 40 88.992 0.209 10.351 317 HG1 THR 40 HG1 THR 40 87.746 1.682 12.411 318 HG21 THR 40 HG21 THR 40 87.801 1.688 8.922 319 HG22 THR 40 HG22 THR 40 88.474 2.712 10.192 320 HG23 THR 40 HG23 THR 40 86.773 2.249 10.240 321 H GLY 41 H GLY 41 87.774 -2.220 9.345 322 HA2 GLY 41 HA2 GLY 41 88.401 -4.402 9.677 323 HA3 GLY 41 HA3 GLY 41 89.238 -3.781 11.098 324 H GLN 42 H GLN 42 85.800 -4.166 10.251 325 HA GLN 42 HA GLN 42 85.378 -5.473 12.869 326 HB2 GLN 42 HB2 GLN 42 83.537 -3.982 11.004 327 HB3 GLN 42 HB1 GLN 42 82.916 -5.013 12.292 328 HG2 GLN 42 HG2 GLN 42 84.936 -2.818 12.784 329 HG3 GLN 42 HG1 GLN 42 83.196 -2.560 12.894 330 HE21 GLN 42 HE21 GLN 42 82.298 -4.869 14.157 331 HE22 GLN 42 HE22 GLN 42 83.018 -5.015 15.687 332 H ALA 43 H ALA 43 85.430 -6.034 9.484 333 HA ALA 43 HA ALA 43 83.707 -8.352 9.546 334 HB1 ALA 43 HB1 ALA 43 85.007 -8.567 7.188 335 HB2 ALA 43 HB2 ALA 43 85.248 -6.851 7.514 336 HB3 ALA 43 HB3 ALA 43 83.616 -7.510 7.430 337 HA PRO 44 HA PRO 44 87.185 -10.872 10.915 338 HB2 PRO 44 HB2 PRO 44 85.817 -13.165 11.362 339 HB3 PRO 44 HB1 PRO 44 85.684 -11.763 12.444 340 HG2 PRO 44 HG2 PRO 44 83.821 -12.685 10.307 341 HG3 PRO 44 HG1 PRO 44 83.459 -12.045 11.918 342 HD2 PRO 44 HD2 PRO 44 83.325 -10.545 9.604 343 HD3 PRO 44 HD1 PRO 44 83.597 -9.854 11.220 344 H GLY 45 H GLY 45 85.198 -11.314 8.156 345 HA2 GLY 45 HA2 GLY 45 85.871 -13.687 7.008 346 HA3 GLY 45 HA3 GLY 45 85.716 -12.200 6.080 347 H PHE 46 H PHE 46 87.730 -10.731 6.250 348 HA PHE 46 HA PHE 46 90.073 -12.413 5.670 349 HB2 PHE 46 HB2 PHE 46 89.115 -10.600 4.076 350 HB3 PHE 46 HB1 PHE 46 89.893 -9.452 5.166 351 HD1 PHE 46 HD1 PHE 46 92.368 -9.573 5.550 352 HD2 PHE 46 HD2 PHE 46 90.391 -11.956 2.571 353 HE1 PHE 46 HE1 PHE 46 94.549 -10.015 4.455 354 HE2 PHE 46 HE2 PHE 46 92.573 -12.398 1.477 355 HZ PHE 46 HZ PHE 46 94.652 -11.427 2.419 356 H THR 47 H THR 47 92.162 -11.833 6.479 357 HA THR 47 HA THR 47 92.141 -11.094 9.246 358 HB THR 47 HB THR 47 94.561 -11.350 7.457 359 HG1 THR 47 HG1 THR 47 94.154 -13.391 7.360 360 HG21 THR 47 HG21 THR 47 95.727 -11.846 9.482 361 HG22 THR 47 HG22 THR 47 94.223 -12.013 10.386 362 HG23 THR 47 HG23 THR 47 94.743 -10.424 9.825 363 H TYR 48 H TYR 48 91.262 -8.977 9.205 364 HA TYR 48 HA TYR 48 92.255 -6.814 7.729 365 HB2 TYR 48 HB2 TYR 48 90.703 -7.101 10.267 366 HB3 TYR 48 HB3 TYR 48 91.338 -5.512 9.850 367 HD1 TYR 48 HD2 TYR 48 89.091 -8.241 8.776 368 HD2 TYR 48 HD1 TYR 48 90.517 -4.279 7.961 369 HE1 TYR 48 HE2 TYR 48 87.244 -7.910 7.154 370 HE2 TYR 48 HE1 TYR 48 88.679 -3.944 6.343 371 HH TYR 48 HH TYR 48 86.423 -4.849 5.932 372 H THR 49 H THR 49 93.604 -5.065 8.330 373 HA THR 49 HA THR 49 95.975 -5.909 9.760 374 HB THR 49 HB THR 49 96.910 -3.780 9.032 375 HG1 THR 49 HG1 THR 49 94.678 -2.793 9.327 376 HG21 THR 49 HG21 THR 49 95.250 -5.252 6.976 377 HG22 THR 49 HG22 THR 49 96.955 -5.489 7.354 378 HG23 THR 49 HG23 THR 49 96.429 -4.013 6.546 379 H ASP 50 H ASP 50 96.974 -4.523 11.429 380 HA ASP 50 HA ASP 50 95.275 -4.150 13.637 381 HB2 ASP 50 HB2 ASP 50 97.923 -2.753 13.306 382 HB3 ASP 50 HB1 ASP 50 97.175 -3.346 14.788 383 H ALA 51 H ALA 51 96.177 -2.021 11.040 384 HA ALA 51 HA ALA 51 95.497 0.439 12.303 385 HB1 ALA 51 HB1 ALA 51 96.861 0.530 10.344 386 HB2 ALA 51 HB2 ALA 51 95.315 1.261 9.916 387 HB3 ALA 51 HB3 ALA 51 95.683 -0.385 9.403 388 H ASN 52 H ASN 52 93.679 -1.902 10.369 389 HA ASN 52 HA ASN 52 91.274 -0.287 10.393 390 HB2 ASN 52 HB2 ASN 52 91.979 -3.035 9.390 391 HB3 ASN 52 HB1 ASN 52 90.297 -2.520 9.489 392 HD21 ASN 52 HD21 ASN 52 90.162 -2.544 7.107 393 HD22 ASN 52 HD22 ASN 52 90.866 -1.293 6.198 394 H LYS 53 H LYS 53 92.723 -2.763 12.335 395 HA LYS 53 HA LYS 53 90.270 -3.431 13.739 396 HB2 LYS 53 HB2 LYS 53 91.561 -5.312 13.832 397 HB3 LYS 53 HB3 LYS 53 93.060 -4.409 13.654 398 HG2 LYS 53 HG2 LYS 53 93.014 -3.770 16.004 399 HG3 LYS 53 HG3 LYS 53 91.433 -4.527 16.209 400 HD2 LYS 53 HD2 LYS 53 92.560 -6.699 15.413 401 HD3 LYS 53 HD3 LYS 53 94.089 -5.861 15.680 402 HE2 LYS 53 HE2 LYS 53 93.344 -5.381 18.030 403 HE3 LYS 53 HE3 LYS 53 91.929 -6.393 17.738 404 HZ1 LYS 53 HZ1 LYS 53 93.990 -7.936 16.894 405 HZ2 LYS 53 HZ2 LYS 53 93.222 -8.062 18.403 406 HZ3 LYS 53 HZ3 LYS 53 94.649 -7.155 18.247 407 H ASN 54 H ASN 54 92.594 -1.008 13.791 408 HA ASN 54 HA ASN 54 92.806 -0.447 16.558 409 HB2 ASN 54 HB2 ASN 54 93.896 1.476 15.894 410 HB3 ASN 54 HB1 ASN 54 94.094 0.490 14.452 411 HD21 ASN 54 HD21 ASN 54 91.398 0.763 13.429 412 HD22 ASN 54 HD22 ASN 54 91.187 2.380 12.958 413 H LYS 55 H LYS 55 90.294 -0.058 14.291 414 HA LYS 55 HA LYS 55 88.201 0.913 14.387 415 HB2 LYS 55 HB2 LYS 55 88.736 0.483 17.332 416 HB3 LYS 55 HB3 LYS 55 87.173 0.971 16.675 417 HG2 LYS 55 HG2 LYS 55 86.894 -1.063 15.503 418 HG3 LYS 55 HG3 LYS 55 88.604 -1.473 15.635 419 HD2 LYS 55 HD2 LYS 55 87.298 -2.829 17.205 420 HD3 LYS 55 HD3 LYS 55 88.340 -1.717 18.091 421 HE2 LYS 55 HE2 LYS 55 85.655 -0.649 17.433 422 HE3 LYS 55 HE3 LYS 55 85.666 -1.995 18.572 423 HZ1 LYS 55 HZ1 LYS 55 87.618 0.144 18.970 424 HZ2 LYS 55 HZ2 LYS 55 86.806 -0.812 20.114 425 HZ3 LYS 55 HZ3 LYS 55 86.002 0.476 19.356 426 H GLY 56 H GLY 56 89.659 2.843 13.662 427 HA2 GLY 56 HA2 GLY 56 89.797 4.997 15.629 428 HA3 GLY 56 HA3 GLY 56 90.405 5.049 13.978 429 H ILE 57 H ILE 57 88.032 4.189 12.664 430 HA ILE 57 HA ILE 57 86.000 6.183 13.390 431 HB ILE 57 HB ILE 57 85.940 7.148 11.177 432 HG12 ILE 57 HG12 ILE 57 87.976 6.434 9.645 433 HG13 ILE 57 HG13 ILE 57 87.913 4.947 10.587 434 HG21 ILE 57 HG21 ILE 57 87.971 8.386 11.247 435 HG22 ILE 57 HG22 ILE 57 88.853 7.042 11.971 436 HG23 ILE 57 HG23 ILE 57 87.652 7.920 12.917 437 HD11 ILE 57 HD11 ILE 57 86.455 5.341 8.339 438 HD12 ILE 57 HD12 ILE 57 85.302 5.918 9.537 439 HD13 ILE 57 HD13 ILE 57 85.937 4.278 9.640 440 H THR 58 H THR 58 84.108 5.971 11.729 441 HA THR 58 HA THR 58 83.633 3.083 11.296 442 HB THR 58 HB THR 58 81.713 5.289 12.055 443 HG1 THR 58 HG1 THR 58 81.658 3.025 13.495 444 HG21 THR 58 HG21 THR 58 80.517 3.942 10.496 445 HG22 THR 58 HG22 THR 58 80.053 3.338 12.085 446 HG23 THR 58 HG23 THR 58 81.234 2.458 11.119 447 H TRP 59 H TRP 59 82.817 2.387 9.378 448 HA TRP 59 HA TRP 59 83.226 3.969 7.068 449 HB2 TRP 59 HB2 TRP 59 81.388 1.582 7.181 450 HB3 TRP 59 HB1 TRP 59 82.369 2.150 5.829 451 HD1 TRP 59 HD1 TRP 59 85.138 2.499 7.259 452 HE1 TRP 59 HE1 TRP 59 86.456 0.418 8.037 453 HE3 TRP 59 HE3 TRP 59 81.353 -0.907 7.546 454 HZ2 TRP 59 HZ2 TRP 59 85.956 -2.313 8.722 455 HZ3 TRP 59 HZ3 TRP 59 81.797 -3.235 8.251 456 HH2 TRP 59 HH2 TRP 59 84.096 -3.942 8.836 457 H LYS 60 H LYS 60 81.873 5.205 5.880 458 HA LYS 60 HA LYS 60 79.006 5.200 6.325 459 HB2 LYS 60 HB2 LYS 60 80.718 7.590 7.059 460 HB3 LYS 60 HB3 LYS 60 78.969 7.656 6.848 461 HG2 LYS 60 HG2 LYS 60 78.832 5.773 8.576 462 HG3 LYS 60 HG3 LYS 60 80.528 6.105 8.923 463 HD2 LYS 60 HD2 LYS 60 78.436 8.287 8.968 464 HD3 LYS 60 HD3 LYS 60 78.800 7.310 10.391 465 HE2 LYS 60 HE2 LYS 60 81.214 7.955 10.139 466 HE3 LYS 60 HE3 LYS 60 80.736 9.057 8.847 467 HZ1 LYS 60 HZ1 LYS 60 79.184 9.313 11.263 468 HZ2 LYS 60 HZ2 LYS 60 79.895 10.514 10.294 469 HZ3 LYS 60 HZ3 LYS 60 80.824 9.697 11.459 470 H GLU 61 H GLU 61 78.458 7.672 5.105 471 HA GLU 61 HA GLU 61 79.002 6.993 2.364 472 HB2 GLU 61 HB2 GLU 61 76.847 7.998 3.165 473 HB3 GLU 61 HB3 GLU 61 77.715 9.506 3.450 474 HG2 GLU 61 HG2 GLU 61 78.364 9.604 1.083 475 HG3 GLU 61 HG3 GLU 61 77.541 8.073 0.784 476 H GLU 62 H GLU 62 79.677 9.926 4.301 477 HA GLU 62 HA GLU 62 81.455 11.013 2.357 478 HB2 GLU 62 HB2 GLU 62 82.146 12.458 4.430 479 HB3 GLU 62 HB3 GLU 62 80.534 12.642 3.741 480 HG2 GLU 62 HG2 GLU 62 79.508 11.452 5.476 481 HG3 GLU 62 HG3 GLU 62 80.999 10.630 5.928 482 H THR 63 H THR 63 81.928 9.076 5.282 483 HA THR 63 HA THR 63 84.722 9.321 5.480 484 HB THR 63 HB THR 63 84.643 7.224 6.741 485 HG1 THR 63 HG1 THR 63 82.664 6.710 5.111 486 HG21 THR 63 HG21 THR 63 82.712 7.865 8.301 487 HG22 THR 63 HG22 THR 63 82.399 9.187 7.177 488 HG23 THR 63 HG23 THR 63 83.947 9.092 8.016 489 H LEU 64 H LEU 64 82.667 7.248 3.520 490 HA LEU 64 HA LEU 64 84.766 5.601 2.521 491 HB2 LEU 64 HB2 LEU 64 81.898 5.945 2.043 492 HB3 LEU 64 HB3 LEU 64 82.797 5.542 0.588 493 HG LEU 64 HG LEU 64 83.132 3.995 3.164 494 HD11 LEU 64 HD11 LEU 64 81.023 3.242 2.836 495 HD12 LEU 64 HD12 LEU 64 81.668 2.393 1.431 496 HD13 LEU 64 HD13 LEU 64 80.918 3.975 1.239 497 HD21 LEU 64 HD21 LEU 64 83.786 2.236 1.354 498 HD22 LEU 64 HD22 LEU 64 84.936 3.523 1.707 499 HD23 LEU 64 HD23 LEU 64 83.921 3.619 0.270 500 H MET 65 H MET 65 83.337 8.665 1.536 501 HA MET 65 HA MET 65 84.382 8.798 -1.073 502 HB2 MET 65 HB2 MET 65 83.774 11.020 0.885 503 HB3 MET 65 HB1 MET 65 84.122 11.264 -0.826 504 HG2 MET 65 HG2 MET 65 82.187 10.003 -1.483 505 HG3 MET 65 HG1 MET 65 81.914 9.458 0.170 506 HE1 MET 65 HE1 MET 65 81.962 12.277 -2.341 507 HE2 MET 65 HE2 MET 65 80.533 13.198 -1.879 508 HE3 MET 65 HE3 MET 65 80.371 11.503 -2.332 509 H GLU 66 H GLU 66 85.681 10.304 1.899 510 HA GLU 66 HA GLU 66 88.098 11.175 0.742 511 HB2 GLU 66 HB2 GLU 66 87.571 10.382 3.618 512 HB3 GLU 66 HB3 GLU 66 88.910 11.377 3.046 513 HG2 GLU 66 HG2 GLU 66 87.134 12.939 2.064 514 HG3 GLU 66 HG3 GLU 66 85.961 12.040 3.026 515 H TYR 67 H TYR 67 87.047 8.124 2.027 516 HA TYR 67 HA TYR 67 89.669 6.922 2.113 517 HB2 TYR 67 HB2 TYR 67 88.120 6.015 3.643 518 HB3 TYR 67 HB3 TYR 67 86.851 5.928 2.433 519 HD1 TYR 67 HD2 TYR 67 86.978 4.229 0.595 520 HD2 TYR 67 HD1 TYR 67 89.720 4.243 3.902 521 HE1 TYR 67 HE2 TYR 67 87.618 1.891 0.074 522 HE2 TYR 67 HE1 TYR 67 90.358 1.904 3.382 523 HH TYR 67 HH TYR 67 89.025 0.224 0.542 524 H LEU 68 H LEU 68 87.099 7.285 -0.202 525 HA LEU 68 HA LEU 68 88.003 5.195 -1.965 526 HB2 LEU 68 HB2 LEU 68 85.824 7.204 -1.921 527 HB3 LEU 68 HB3 LEU 68 86.375 6.723 -3.519 528 HG LEU 68 HG LEU 68 85.595 4.760 -1.345 529 HD11 LEU 68 HD11 LEU 68 83.569 5.805 -1.867 530 HD12 LEU 68 HD12 LEU 68 83.589 4.438 -2.976 531 HD13 LEU 68 HD13 LEU 68 84.006 6.052 -3.556 532 HD21 LEU 68 HD21 LEU 68 85.293 3.437 -3.663 533 HD22 LEU 68 HD22 LEU 68 86.823 3.469 -2.793 534 HD23 LEU 68 HD23 LEU 68 86.564 4.549 -4.158 535 H GLU 69 H GLU 69 88.782 8.531 -1.471 536 HA GLU 69 HA GLU 69 90.013 8.792 -4.116 537 HB2 GLU 69 HB2 GLU 69 90.087 11.063 -3.735 538 HB3 GLU 69 HB3 GLU 69 88.727 10.635 -2.700 539 HG2 GLU 69 HG2 GLU 69 90.506 10.322 -0.842 540 HG3 GLU 69 HG3 GLU 69 91.576 11.226 -1.908 541 H ASN 70 H ASN 70 90.828 7.732 -1.017 542 HA ASN 70 HA ASN 70 93.514 7.150 -1.713 543 HB2 ASN 70 HB2 ASN 70 93.308 9.773 -1.073 544 HB3 ASN 70 HB1 ASN 70 93.564 9.098 0.531 545 HD21 ASN 70 HD21 ASN 70 95.482 7.382 0.547 546 HD22 ASN 70 HD22 ASN 70 96.860 7.830 -0.338 547 HA PRO 71 HA PRO 71 91.265 4.679 1.578 548 HB2 PRO 71 HB2 PRO 71 92.904 2.623 0.161 549 HB3 PRO 71 HB1 PRO 71 91.215 2.552 0.690 550 HG2 PRO 71 HG2 PRO 71 91.864 2.895 -1.874 551 HG3 PRO 71 HG1 PRO 71 90.447 3.681 -1.157 552 HD2 PRO 71 HD2 PRO 71 93.076 4.870 -1.919 553 HD3 PRO 71 HD1 PRO 71 91.463 5.615 -1.900 554 H LYS 72 H LYS 72 94.635 4.922 0.609 555 HA LYS 72 HA LYS 72 95.674 3.534 2.897 556 HB2 LYS 72 HB2 LYS 72 96.843 3.718 0.692 557 HB3 LYS 72 HB3 LYS 72 97.127 5.421 1.041 558 HG2 LYS 72 HG2 LYS 72 98.983 4.819 2.178 559 HG3 LYS 72 HG3 LYS 72 97.941 4.049 3.371 560 HD2 LYS 72 HD2 LYS 72 98.860 2.667 0.833 561 HD3 LYS 72 HD3 LYS 72 99.705 2.531 2.373 562 HE2 LYS 72 HE2 LYS 72 96.815 1.757 1.867 563 HE3 LYS 72 HE3 LYS 72 98.163 0.640 2.075 564 HZ1 LYS 72 HZ1 LYS 72 97.201 0.769 4.170 565 HZ2 LYS 72 HZ2 LYS 72 96.940 2.446 4.067 566 HZ3 LYS 72 HZ3 LYS 72 98.513 1.839 4.281 567 H LYS 73 H LYS 73 95.525 6.985 1.983 568 HA LYS 73 HA LYS 73 96.827 7.899 4.312 569 HB2 LYS 73 HB2 LYS 73 96.532 10.001 3.457 570 HB3 LYS 73 HB3 LYS 73 96.179 9.080 1.999 571 HG2 LYS 73 HG2 LYS 73 94.364 10.557 2.114 572 HG3 LYS 73 HG3 LYS 73 93.713 9.100 2.858 573 HD2 LYS 73 HD2 LYS 73 93.250 10.302 4.718 574 HD3 LYS 73 HD3 LYS 73 94.975 10.573 4.947 575 HE2 LYS 73 HE2 LYS 73 93.939 12.736 4.849 576 HE3 LYS 73 HE3 LYS 73 94.783 12.508 3.318 577 HZ1 LYS 73 HZ1 LYS 73 92.426 11.474 2.710 578 HZ2 LYS 73 HZ2 LYS 73 92.791 13.120 2.499 579 HZ3 LYS 73 HZ3 LYS 73 91.928 12.607 3.869 580 H TYR 74 H TYR 74 93.469 7.098 3.685 581 HA TYR 74 HA TYR 74 92.358 8.476 5.900 582 HB2 TYR 74 HB2 TYR 74 91.277 7.172 3.802 583 HB3 TYR 74 HB3 TYR 74 91.085 5.929 5.038 584 HD1 TYR 74 HD1 TYR 74 90.715 9.660 4.740 585 HD2 TYR 74 HD2 TYR 74 89.092 5.980 6.250 586 HE1 TYR 74 HE1 TYR 74 88.781 10.898 5.676 587 HE2 TYR 74 HE2 TYR 74 87.158 7.220 7.185 588 HH TYR 74 HH TYR 74 87.013 10.143 7.884 589 H ILE 75 H ILE 75 93.121 5.005 5.525 590 HA ILE 75 HA ILE 75 93.587 4.892 8.446 591 HB ILE 75 HB ILE 75 92.309 2.707 6.785 592 HG12 ILE 75 HG12 ILE 75 90.957 4.439 8.866 593 HG13 ILE 75 HG13 ILE 75 90.940 4.861 7.154 594 HG21 ILE 75 HG21 ILE 75 92.926 3.066 9.727 595 HG22 ILE 75 HG22 ILE 75 93.427 1.751 8.663 596 HG23 ILE 75 HG23 ILE 75 91.740 1.894 9.153 597 HD11 ILE 75 HD11 ILE 75 89.980 2.216 8.281 598 HD12 ILE 75 HD12 ILE 75 89.876 2.738 6.600 599 HD13 ILE 75 HD13 ILE 75 88.926 3.560 7.838 600 HA PRO 76 HA PRO 76 97.399 3.787 5.885 601 HB2 PRO 76 HB2 PRO 76 98.386 4.538 8.621 602 HB3 PRO 76 HB1 PRO 76 99.101 4.883 7.033 603 HG2 PRO 76 HG2 PRO 76 97.744 6.741 8.380 604 HG3 PRO 76 HG1 PRO 76 97.664 6.627 6.614 605 HD2 PRO 76 HD2 PRO 76 95.590 5.942 8.627 606 HD3 PRO 76 HD1 PRO 76 95.399 6.387 6.917 607 H GLY 77 H GLY 77 98.322 1.793 5.862 608 HA2 GLY 77 HA2 GLY 77 99.275 -0.137 6.937 609 HA3 GLY 77 HA3 GLY 77 98.160 0.103 8.280 610 H THR 78 H THR 78 95.946 0.678 6.355 611 HA THR 78 HA THR 78 94.738 -1.830 6.253 612 HB THR 78 HB THR 78 93.545 0.340 6.034 613 HG1 THR 78 HG1 THR 78 93.113 -1.310 3.778 614 HG21 THR 78 HG21 THR 78 94.491 0.282 3.166 615 HG22 THR 78 HG22 THR 78 95.284 1.249 4.410 616 HG23 THR 78 HG23 THR 78 93.601 1.565 3.987 617 H LYS 79 H LYS 79 94.553 -3.420 4.698 618 HA LYS 79 HA LYS 79 96.666 -3.446 2.680 619 HB2 LYS 79 HB2 LYS 79 94.809 -5.487 3.852 620 HB3 LYS 79 HB3 LYS 79 95.552 -5.808 2.286 621 HG2 LYS 79 HG2 LYS 79 97.295 -4.841 4.530 622 HG3 LYS 79 HG3 LYS 79 96.773 -6.525 4.531 623 HD2 LYS 79 HD2 LYS 79 97.689 -6.835 2.275 624 HD3 LYS 79 HD3 LYS 79 98.177 -5.141 2.226 625 HE2 LYS 79 HE2 LYS 79 99.756 -5.454 4.006 626 HE3 LYS 79 HE3 LYS 79 99.135 -7.068 4.353 627 HZ1 LYS 79 HZ1 LYS 79 99.751 -7.371 1.810 628 HZ2 LYS 79 HZ2 LYS 79 100.877 -7.640 3.055 629 HZ3 LYS 79 HZ3 LYS 79 100.885 -6.172 2.201 630 H MET 80 H MET 80 95.966 -1.951 1.149 631 HA MET 80 HA MET 80 94.360 -2.921 -0.941 632 HB2 MET 80 HB2 MET 80 92.421 -2.548 0.427 633 HB3 MET 80 HB1 MET 80 92.991 -0.946 0.897 634 HG2 MET 80 HG2 MET 80 92.630 -0.057 -1.272 635 HG3 MET 80 HG1 MET 80 92.500 -1.658 -1.997 636 HE1 MET 80 HE1 MET 80 90.819 0.607 -2.577 637 HE2 MET 80 HE2 MET 80 90.297 1.344 -1.066 638 HE3 MET 80 HE3 MET 80 89.123 0.520 -2.084 639 H ILE 81 H ILE 81 95.997 -2.178 -2.236 640 HA ILE 81 HA ILE 81 96.159 0.754 -2.555 641 HB ILE 81 HB ILE 81 98.522 -1.137 -2.682 642 HG12 ILE 81 HG12 ILE 81 99.131 0.514 -0.658 643 HG13 ILE 81 HG13 ILE 81 97.377 0.575 -0.501 644 HG21 ILE 81 HG21 ILE 81 98.230 1.867 -2.947 645 HG22 ILE 81 HG22 ILE 81 98.793 0.740 -4.180 646 HG23 ILE 81 HG23 ILE 81 99.778 1.047 -2.749 647 HD11 ILE 81 HD11 ILE 81 99.246 -1.708 -0.061 648 HD12 ILE 81 HD12 ILE 81 97.666 -2.089 -0.743 649 HD13 ILE 81 HD13 ILE 81 97.779 -1.272 0.814 650 H PHE 82 H PHE 82 94.662 0.416 -4.311 651 HA PHE 82 HA PHE 82 95.893 -0.836 -6.697 652 HB2 PHE 82 HB2 PHE 82 93.880 -2.019 -6.088 653 HB3 PHE 82 HB1 PHE 82 92.980 -0.512 -5.943 654 HD1 PHE 82 HD2 PHE 82 95.263 -2.065 -8.502 655 HD2 PHE 82 HD1 PHE 82 91.514 -0.119 -7.713 656 HE1 PHE 82 HE2 PHE 82 94.697 -2.174 -10.913 657 HE2 PHE 82 HE1 PHE 82 90.951 -0.233 -10.124 658 HZ PHE 82 HZ PHE 82 92.541 -1.259 -11.724 659 H ALA 83 H ALA 83 93.143 1.379 -6.372 660 HA ALA 83 HA ALA 83 94.593 3.635 -7.424 661 HB1 ALA 83 HB1 ALA 83 93.101 3.768 -9.488 662 HB2 ALA 83 HB2 ALA 83 92.716 2.071 -9.196 663 HB3 ALA 83 HB3 ALA 83 94.380 2.554 -9.530 664 H GLY 84 H GLY 84 93.718 5.310 -6.409 665 HA2 GLY 84 HA2 GLY 84 91.144 5.165 -5.144 666 HA3 GLY 84 HA3 GLY 84 92.209 6.568 -5.190 667 H ILE 85 H ILE 85 89.749 7.307 -5.432 668 HA ILE 85 HA ILE 85 88.898 7.306 -8.238 669 HB ILE 85 HB ILE 85 87.635 8.371 -5.707 670 HG12 ILE 85 HG12 ILE 85 87.782 5.807 -6.402 671 HG13 ILE 85 HG13 ILE 85 86.292 6.470 -5.744 672 HG21 ILE 85 HG21 ILE 85 86.872 9.840 -7.400 673 HG22 ILE 85 HG22 ILE 85 85.612 8.613 -7.287 674 HG23 ILE 85 HG23 ILE 85 86.787 8.549 -8.598 675 HD11 ILE 85 HD11 ILE 85 85.262 6.593 -7.861 676 HD12 ILE 85 HD12 ILE 85 86.121 5.054 -7.901 677 HD13 ILE 85 HD13 ILE 85 86.799 6.464 -8.715 678 H LYS 86 H LYS 86 88.299 9.381 -9.260 679 HA LYS 86 HA LYS 86 90.295 11.449 -8.609 680 HB2 LYS 86 HB2 LYS 86 88.797 10.773 -11.138 681 HB3 LYS 86 HB3 LYS 86 89.738 12.253 -10.952 682 HG2 LYS 86 HG2 LYS 86 91.732 10.873 -10.367 683 HG3 LYS 86 HG3 LYS 86 90.783 9.419 -10.674 684 HD2 LYS 86 HD2 LYS 86 90.923 11.531 -12.806 685 HD3 LYS 86 HD3 LYS 86 92.298 10.451 -12.585 686 HE2 LYS 86 HE2 LYS 86 89.485 9.383 -12.840 687 HE3 LYS 86 HE3 LYS 86 90.482 9.709 -14.258 688 HZ1 LYS 86 HZ1 LYS 86 91.693 7.901 -13.888 689 HZ2 LYS 86 HZ2 LYS 86 90.507 7.428 -12.767 690 HZ3 LYS 86 HZ3 LYS 86 91.895 8.256 -12.242 691 H LYS 87 H LYS 87 87.083 11.561 -10.175 692 HA LYS 87 HA LYS 87 86.591 14.173 -9.032 693 HB2 LYS 87 HB2 LYS 87 84.951 12.362 -10.808 694 HB3 LYS 87 HB3 LYS 87 84.389 13.936 -10.250 695 HG2 LYS 87 HG2 LYS 87 87.097 13.748 -11.532 696 HG3 LYS 87 HG3 LYS 87 85.669 13.706 -12.565 697 HD2 LYS 87 HD2 LYS 87 85.857 15.833 -10.452 698 HD3 LYS 87 HD3 LYS 87 86.793 16.021 -11.935 699 HE2 LYS 87 HE2 LYS 87 83.826 15.418 -11.930 700 HE3 LYS 87 HE3 LYS 87 84.474 17.056 -11.989 701 HZ1 LYS 87 HZ1 LYS 87 85.887 15.758 -13.899 702 HZ2 LYS 87 HZ2 LYS 87 84.534 16.746 -14.178 703 HZ3 LYS 87 HZ3 LYS 87 84.347 15.063 -14.051 704 H LYS 88 H LYS 88 84.552 14.689 -7.922 705 HA LYS 88 HA LYS 88 84.205 13.040 -5.617 706 HB2 LYS 88 HB2 LYS 88 83.934 15.557 -5.699 707 HB3 LYS 88 HB3 LYS 88 82.398 15.288 -6.522 708 HG2 LYS 88 HG2 LYS 88 81.909 13.674 -4.500 709 HG3 LYS 88 HG3 LYS 88 83.177 14.600 -3.698 710 HD2 LYS 88 HD2 LYS 88 81.324 15.869 -3.117 711 HD3 LYS 88 HD3 LYS 88 81.787 16.672 -4.617 712 HE2 LYS 88 HE2 LYS 88 80.170 15.273 -5.860 713 HE3 LYS 88 HE3 LYS 88 79.701 14.485 -4.354 714 HZ1 LYS 88 HZ1 LYS 88 79.597 17.417 -4.564 715 HZ2 LYS 88 HZ2 LYS 88 78.696 16.378 -3.568 716 HZ3 LYS 88 HZ3 LYS 88 78.343 16.486 -5.226 717 H THR 89 H THR 89 82.025 13.892 -8.322 718 HA THR 89 HA THR 89 79.842 12.345 -7.599 719 HB THR 89 HB THR 89 79.345 12.215 -10.046 720 HG1 THR 89 HG1 THR 89 80.921 12.508 -11.379 721 HG21 THR 89 HG21 THR 89 80.247 14.901 -8.967 722 HG22 THR 89 HG22 THR 89 78.664 14.165 -8.724 723 HG23 THR 89 HG23 THR 89 79.161 14.673 -10.338 724 H GLU 90 H GLU 90 82.929 11.353 -8.854 725 HA GLU 90 HA GLU 90 82.144 8.754 -9.732 726 HB2 GLU 90 HB2 GLU 90 84.792 9.975 -8.961 727 HB3 GLU 90 HB3 GLU 90 84.648 8.272 -9.392 728 HG2 GLU 90 HG2 GLU 90 83.863 8.796 -11.583 729 HG3 GLU 90 HG3 GLU 90 83.606 10.488 -11.163 730 H ARG 91 H ARG 91 83.260 10.136 -6.693 731 HA ARG 91 HA ARG 91 83.372 7.609 -5.310 732 HB2 ARG 91 HB2 ARG 91 83.348 10.459 -4.270 733 HB3 ARG 91 HB3 ARG 91 83.665 9.025 -3.295 734 HG2 ARG 91 HG2 ARG 91 85.525 8.488 -4.969 735 HG3 ARG 91 HG3 ARG 91 85.321 10.132 -5.565 736 HD2 ARG 91 HD2 ARG 91 85.515 10.072 -2.652 737 HD3 ARG 91 HD3 ARG 91 86.922 9.339 -3.411 738 HE ARG 91 HE ARG 91 87.485 11.423 -4.311 739 HH11 ARG 91 HH21 ARG 91 84.339 11.455 -2.855 740 HH12 ARG 91 HH22 ARG 91 84.201 13.180 -2.877 741 HH21 ARG 91 HH11 ARG 91 87.299 13.682 -4.345 742 HH22 ARG 91 HH12 ARG 91 85.872 14.440 -3.723 743 H GLU 92 H GLU 92 81.174 10.420 -5.296 744 HA GLU 92 HA GLU 92 79.304 9.419 -3.462 745 HB2 GLU 92 HB2 GLU 92 79.454 11.774 -4.466 746 HB3 GLU 92 HB3 GLU 92 78.572 11.121 -5.846 747 HG2 GLU 92 HG2 GLU 92 76.759 10.384 -4.343 748 HG3 GLU 92 HG3 GLU 92 77.637 11.042 -2.963 749 H ASP 93 H ASP 93 79.242 9.294 -7.037 750 HA ASP 93 HA ASP 93 76.930 7.719 -7.282 751 HB2 ASP 93 HB2 ASP 93 79.358 7.836 -9.090 752 HB3 ASP 93 HB1 ASP 93 77.797 7.146 -9.528 753 H LEU 94 H LEU 94 80.358 6.779 -7.133 754 HA LEU 94 HA LEU 94 80.011 4.006 -7.372 755 HB2 LEU 94 HB2 LEU 94 82.219 5.029 -7.532 756 HB3 LEU 94 HB3 LEU 94 82.109 5.568 -5.858 757 HG LEU 94 HG LEU 94 82.070 3.274 -5.062 758 HD11 LEU 94 HD11 LEU 94 81.847 2.698 -8.003 759 HD12 LEU 94 HD12 LEU 94 80.919 2.024 -6.663 760 HD13 LEU 94 HD13 LEU 94 82.583 1.506 -6.931 761 HD21 LEU 94 HD21 LEU 94 84.327 2.620 -5.683 762 HD22 LEU 94 HD22 LEU 94 84.265 4.376 -5.552 763 HD23 LEU 94 HD23 LEU 94 84.253 3.609 -7.140 764 H ILE 95 H ILE 95 79.852 6.155 -4.596 765 HA ILE 95 HA ILE 95 79.639 4.043 -2.690 766 HB ILE 95 HB ILE 95 79.332 7.021 -2.585 767 HG12 ILE 95 HG12 ILE 95 81.032 5.437 -0.721 768 HG13 ILE 95 HG13 ILE 95 81.492 5.378 -2.416 769 HG21 ILE 95 HG21 ILE 95 77.665 6.546 -1.027 770 HG22 ILE 95 HG22 ILE 95 79.096 6.491 0.002 771 HG23 ILE 95 HG23 ILE 95 78.375 4.994 -0.588 772 HD11 ILE 95 HD11 ILE 95 80.866 8.082 -1.386 773 HD12 ILE 95 HD12 ILE 95 82.174 7.547 -2.437 774 HD13 ILE 95 HD13 ILE 95 82.300 7.325 -0.698 775 H ALA 96 H ALA 96 77.422 5.853 -4.653 776 HA ALA 96 HA ALA 96 75.043 5.304 -3.208 777 HB1 ALA 96 HB1 ALA 96 75.343 6.976 -5.109 778 HB2 ALA 96 HB2 ALA 96 73.882 5.990 -5.174 779 HB3 ALA 96 HB3 ALA 96 75.257 5.598 -6.207 780 H TYR 97 H TYR 97 76.937 3.547 -5.582 781 HA TYR 97 HA TYR 97 75.009 1.434 -5.920 782 HB2 TYR 97 HB2 TYR 97 76.506 1.839 -7.752 783 HB3 TYR 97 HB3 TYR 97 77.918 1.699 -6.704 784 HD1 TYR 97 HD1 TYR 97 75.018 -0.211 -8.074 785 HD2 TYR 97 HD2 TYR 97 78.900 -0.414 -6.248 786 HE1 TYR 97 HE1 TYR 97 75.076 -2.657 -8.469 787 HE2 TYR 97 HE2 TYR 97 78.957 -2.860 -6.643 788 HH TYR 97 HH TYR 97 77.873 -4.617 -7.435 789 H LEU 98 H LEU 98 78.064 1.855 -4.135 790 HA LEU 98 HA LEU 98 78.274 -0.726 -3.086 791 HB2 LEU 98 HB2 LEU 98 79.212 1.971 -2.153 792 HB3 LEU 98 HB3 LEU 98 79.461 0.554 -1.140 793 HG LEU 98 HG LEU 98 80.249 0.425 -4.039 794 HD11 LEU 98 HD11 LEU 98 81.233 2.532 -3.029 795 HD12 LEU 98 HD12 LEU 98 82.409 1.357 -3.605 796 HD13 LEU 98 HD13 LEU 98 82.074 1.493 -1.879 797 HD21 LEU 98 HD21 LEU 98 80.285 -1.579 -2.539 798 HD22 LEU 98 HD22 LEU 98 81.443 -0.740 -1.509 799 HD23 LEU 98 HD23 LEU 98 81.881 -1.163 -3.164 800 H LYS 99 H LYS 99 76.114 1.867 -2.300 801 HA LYS 99 HA LYS 99 75.405 0.873 0.318 802 HB2 LYS 99 HB2 LYS 99 74.383 3.047 -1.485 803 HB3 LYS 99 HB3 LYS 99 73.427 2.537 -0.094 804 HG2 LYS 99 HG2 LYS 99 75.512 2.882 1.323 805 HG3 LYS 99 HG3 LYS 99 76.243 3.650 -0.085 806 HD2 LYS 99 HD2 LYS 99 73.594 4.529 1.091 807 HD3 LYS 99 HD3 LYS 99 75.139 5.245 1.549 808 HE2 LYS 99 HE2 LYS 99 75.515 5.650 -0.958 809 HE3 LYS 99 HE3 LYS 99 73.804 5.275 -1.161 810 HZ1 LYS 99 HZ1 LYS 99 74.020 7.054 0.965 811 HZ2 LYS 99 HZ2 LYS 99 73.343 7.339 -0.567 812 HZ3 LYS 99 HZ3 LYS 99 74.985 7.673 -0.286 813 H LYS 100 H LYS 100 73.688 1.061 -2.810 814 HA LYS 100 HA LYS 100 71.552 -0.630 -1.894 815 HB2 LYS 100 HB2 LYS 100 72.305 0.168 -4.716 816 HB3 LYS 100 HB3 LYS 100 70.766 -0.526 -4.204 817 HG2 LYS 100 HG2 LYS 100 70.227 1.404 -2.890 818 HG3 LYS 100 HG3 LYS 100 71.861 2.048 -3.053 819 HD2 LYS 100 HD2 LYS 100 70.386 3.242 -4.582 820 HD3 LYS 100 HD3 LYS 100 71.498 2.241 -5.517 821 HE2 LYS 100 HE2 LYS 100 68.811 1.149 -4.711 822 HE3 LYS 100 HE3 LYS 100 68.952 2.202 -6.118 823 HZ1 LYS 100 HZ1 LYS 100 71.011 0.306 -6.211 824 HZ2 LYS 100 HZ2 LYS 100 69.708 0.501 -7.284 825 HZ3 LYS 100 HZ3 LYS 100 69.555 -0.519 -5.933 826 H ALA 101 H ALA 101 74.683 -1.168 -3.126 827 HA ALA 101 HA ALA 101 74.116 -3.814 -4.197 828 HB1 ALA 101 HB1 ALA 101 75.824 -2.404 -5.267 829 HB2 ALA 101 HB2 ALA 101 76.531 -3.893 -4.641 830 HB3 ALA 101 HB3 ALA 101 76.746 -2.378 -3.763 831 H THR 102 H THR 102 75.354 -2.343 -1.276 832 HA THR 102 HA THR 102 76.212 -4.919 -0.182 833 HB THR 102 HB THR 102 76.861 -3.546 1.796 834 HG1 THR 102 HG1 THR 102 75.672 -1.561 0.191 835 HG21 THR 102 HG21 THR 102 78.516 -2.065 0.412 836 HG22 THR 102 HG22 THR 102 77.820 -2.896 -0.979 837 HG23 THR 102 HG23 THR 102 78.626 -3.820 0.289 838 H ASN 103 H ASN 103 73.392 -3.208 -0.507 839 HA ASN 103 HA ASN 103 72.226 -3.972 2.062 840 HB2 ASN 103 HB2 ASN 103 71.318 -2.340 -0.293 841 HB3 ASN 103 HB1 ASN 103 70.159 -2.905 0.903 842 HD21 ASN 103 HD21 ASN 103 73.460 -2.148 1.857 843 HD22 ASN 103 HD22 ASN 103 73.076 -0.739 2.718 844 H GLU 104 H GLU 104 72.354 -5.022 -1.246 845 HA GLU 104 HA GLU 104 70.958 -7.472 -0.560 846 HB2 GLU 104 HB2 GLU 104 69.251 -7.284 -2.281 847 HB3 GLU 104 HB3 GLU 104 69.109 -5.923 -1.168 848 HG2 GLU 104 HG2 GLU 104 70.523 -4.578 -2.773 849 HG3 GLU 104 HG3 GLU 104 70.387 -5.914 -3.913 850 HHA HEC 201 HA HEC 105 89.238 -3.420 3.300 851 HHB HEC 201 HB HEC 105 85.513 0.087 -0.414 852 HHC HEC 201 HC HEC 105 88.824 -1.781 -5.470 853 HHD HEC 201 HD HEC 105 92.112 -5.770 -1.822 854 HMA1 HEC 201 HMA1 HEC 105 84.970 -0.425 3.261 855 HMA2 HEC 201 HMA2 HEC 105 84.556 -0.117 1.578 856 HMA3 HEC 201 HMA3 HEC 105 85.691 0.943 2.413 857 HAA1 HEC 201 HAA1 HEC 105 86.704 -0.902 4.539 858 HAA2 HEC 201 HAA2 HEC 105 88.279 -1.671 4.530 859 HBA1 HEC 201 HBA1 HEC 105 87.332 -3.847 4.525 860 HBA2 HEC 201 HBA2 HEC 105 85.726 -3.230 4.151 861 HMB1 HEC 201 HMB1 HEC 105 84.814 1.192 -3.962 862 HMB2 HEC 201 HMB2 HEC 105 85.145 1.602 -2.283 863 HMB3 HEC 201 HMB3 HEC 105 84.127 0.217 -2.668 864 HAB HEC 201 HAB HEC 105 87.373 -0.538 -6.152 865 HBB1 HEC 201 HBB1 HEC 105 86.709 2.020 -4.752 866 HBB2 HEC 201 HBB2 HEC 105 87.994 1.678 -5.903 867 HBB3 HEC 201 HBB3 HEC 105 86.336 1.882 -6.467 868 HMC1 HEC 201 HMC1 HEC 105 89.785 -3.282 -6.777 869 HMC2 HEC 201 HMC2 HEC 105 91.137 -4.406 -6.799 870 HMC3 HEC 201 HMC3 HEC 105 91.425 -2.688 -6.538 871 HAC HEC 201 HAC HEC 105 92.576 -6.223 -3.736 872 HBC1 HEC 201 HBC1 HEC 105 93.869 -5.810 -5.969 873 HBC2 HEC 201 HBC2 HEC 105 94.216 -4.784 -4.577 874 HBC3 HEC 201 HBC3 HEC 105 93.177 -4.193 -5.871 875 HMD1 HEC 201 HMD1 HEC 105 93.200 -6.441 1.688 876 HMD2 HEC 201 HMD2 HEC 105 93.288 -6.313 -0.064 877 HMD3 HEC 201 HMD3 HEC 105 92.184 -7.468 0.679 878 HAD1 HEC 201 HAD1 HEC 105 91.791 -6.205 3.349 879 HAD2 HEC 201 HAD2 HEC 105 90.268 -5.474 3.812 880 HBD1 HEC 201 HBD1 HEC 105 91.459 -3.256 3.924 881 HBD2 HEC 201 HBD2 HEC 105 92.970 -4.131 3.692 882 H1 HOH 301 H2 HOH 200 80.542 2.296 -0.442 883 H2 HOH 301 H1 HOH 200 81.704 3.248 -0.624 884 H1 HOH 302 H2 HOH 201 86.273 4.553 6.118 885 H2 HOH 302 H1 HOH 201 86.002 5.678 5.144 886 H1 HOH 303 H2 HOH 202 83.153 -6.896 5.505 887 H2 HOH 303 H1 HOH 202 82.996 -5.789 6.528 888 H1 HOH 304 H2 HOH 203 81.562 -11.286 -0.476 889 H2 HOH 304 H1 HOH 203 82.093 -9.894 -0.212 Start of MODEL 29 1 H1 GLY 1 H1 GLY 1 74.542 11.671 -8.892 2 H2 GLY 1 H2 GLY 1 75.940 11.541 -7.934 3 H3 GLY 1 H3 GLY 1 74.515 12.198 -7.279 4 HA2 GLY 1 HA2 GLY 1 75.340 9.572 -7.159 5 HA3 GLY 1 HA3 GLY 1 73.766 10.214 -6.688 6 H ASP 2 H ASP 2 75.054 7.835 -8.419 7 HA ASP 2 HA ASP 2 72.696 7.493 -10.055 8 HB2 ASP 2 HB2 ASP 2 75.388 8.015 -11.318 9 HB3 ASP 2 HB1 ASP 2 74.070 7.205 -12.163 10 H VAL 3 H VAL 3 72.508 5.630 -8.761 11 HA VAL 3 HA VAL 3 74.325 3.668 -8.204 12 HB VAL 3 HB VAL 3 72.012 3.585 -7.423 13 HG11 VAL 3 HG11 VAL 3 70.172 3.111 -8.878 14 HG12 VAL 3 HG12 VAL 3 71.247 2.741 -10.226 15 HG13 VAL 3 HG13 VAL 3 71.087 4.401 -9.656 16 HG21 VAL 3 HG21 VAL 3 72.573 1.165 -9.162 17 HG22 VAL 3 HG22 VAL 3 71.647 1.208 -7.663 18 HG23 VAL 3 HG23 VAL 3 73.389 1.474 -7.630 19 H GLU 4 H GLU 4 73.102 4.582 -11.297 20 HA GLU 4 HA GLU 4 73.647 2.118 -12.657 21 HB2 GLU 4 HB2 GLU 4 73.244 4.947 -13.643 22 HB3 GLU 4 HB3 GLU 4 73.481 3.567 -14.716 23 HG2 GLU 4 HG2 GLU 4 71.503 2.471 -13.839 24 HG3 GLU 4 HG3 GLU 4 71.306 3.721 -12.613 25 H LYS 5 H LYS 5 75.314 5.282 -12.744 26 HA LYS 5 HA LYS 5 77.616 4.204 -14.056 27 HB2 LYS 5 HB2 LYS 5 77.081 6.817 -12.634 28 HB3 LYS 5 HB3 LYS 5 78.641 6.436 -13.364 29 HG2 LYS 5 HG2 LYS 5 77.535 6.069 -15.541 30 HG3 LYS 5 HG3 LYS 5 75.977 6.460 -14.816 31 HD2 LYS 5 HD2 LYS 5 78.329 8.366 -14.768 32 HD3 LYS 5 HD3 LYS 5 77.125 8.372 -16.056 33 HE2 LYS 5 HE2 LYS 5 75.391 8.526 -14.108 34 HE3 LYS 5 HE3 LYS 5 76.772 9.049 -13.143 35 HZ1 LYS 5 HZ1 LYS 5 75.448 10.846 -14.285 36 HZ2 LYS 5 HZ2 LYS 5 76.106 10.283 -15.748 37 HZ3 LYS 5 HZ3 LYS 5 77.126 10.884 -14.530 38 H GLY 6 H GLY 6 76.529 4.324 -10.811 39 HA2 GLY 6 HA2 GLY 6 79.066 4.190 -9.501 40 HA3 GLY 6 HA3 GLY 6 77.510 3.729 -8.805 41 H LYS 7 H LYS 7 76.790 1.883 -10.852 42 HA LYS 7 HA LYS 7 78.069 -0.474 -9.881 43 HB2 LYS 7 HB2 LYS 7 75.694 -0.326 -10.726 44 HB3 LYS 7 HB3 LYS 7 76.352 -0.200 -12.357 45 HG2 LYS 7 HG2 LYS 7 77.678 -2.370 -11.708 46 HG3 LYS 7 HG3 LYS 7 76.451 -2.530 -10.455 47 HD2 LYS 7 HD2 LYS 7 75.421 -3.694 -12.178 48 HD3 LYS 7 HD3 LYS 7 74.795 -2.075 -12.486 49 HE2 LYS 7 HE2 LYS 7 75.615 -3.014 -14.578 50 HE3 LYS 7 HE3 LYS 7 76.683 -1.700 -14.086 51 HZ1 LYS 7 HZ1 LYS 7 78.380 -3.096 -13.800 52 HZ2 LYS 7 HZ2 LYS 7 77.474 -4.209 -14.710 53 HZ3 LYS 7 HZ3 LYS 7 77.431 -4.259 -13.012 54 H LYS 8 H LYS 8 78.257 1.407 -12.889 55 HA LYS 8 HA LYS 8 79.949 -0.309 -14.330 56 HB2 LYS 8 HB2 LYS 8 78.824 1.545 -15.408 57 HB3 LYS 8 HB3 LYS 8 79.694 2.703 -14.404 58 HG2 LYS 8 HG2 LYS 8 81.462 0.831 -15.848 59 HG3 LYS 8 HG3 LYS 8 80.505 1.858 -16.913 60 HD2 LYS 8 HD2 LYS 8 81.972 3.049 -14.562 61 HD3 LYS 8 HD3 LYS 8 82.813 2.741 -16.080 62 HE2 LYS 8 HE2 LYS 8 81.090 4.083 -17.277 63 HE3 LYS 8 HE3 LYS 8 80.336 4.455 -15.727 64 HZ1 LYS 8 HZ1 LYS 8 82.051 6.081 -16.727 65 HZ2 LYS 8 HZ2 LYS 8 83.202 4.983 -16.131 66 HZ3 LYS 8 HZ3 LYS 8 82.111 5.734 -15.068 67 H ILE 9 H ILE 9 80.753 2.451 -12.227 68 HA ILE 9 HA ILE 9 83.562 2.202 -12.502 69 HB ILE 9 HB ILE 9 81.920 3.424 -10.272 70 HG12 ILE 9 HG12 ILE 9 83.340 4.790 -12.573 71 HG13 ILE 9 HG13 ILE 9 81.641 4.321 -12.648 72 HG21 ILE 9 HG21 ILE 9 84.071 4.736 -9.920 73 HG22 ILE 9 HG22 ILE 9 84.862 3.562 -10.971 74 HG23 ILE 9 HG23 ILE 9 84.141 3.038 -9.450 75 HD11 ILE 9 HD11 ILE 9 82.017 6.703 -11.905 76 HD12 ILE 9 HD12 ILE 9 82.804 6.067 -10.461 77 HD13 ILE 9 HD13 ILE 9 81.099 5.727 -10.758 78 H PHE 10 H PHE 10 81.218 0.529 -10.563 79 HA PHE 10 HA PHE 10 83.101 -0.426 -8.606 80 HB2 PHE 10 HB2 PHE 10 80.955 -0.397 -7.738 81 HB3 PHE 10 HB1 PHE 10 80.226 -0.951 -9.244 82 HD1 PHE 10 HD1 PHE 10 80.249 -3.319 -9.869 83 HD2 PHE 10 HD2 PHE 10 81.960 -1.971 -6.169 84 HE1 PHE 10 HE1 PHE 10 80.333 -5.661 -9.058 85 HE2 PHE 10 HE2 PHE 10 82.047 -4.312 -5.357 86 HZ PHE 10 HZ PHE 10 81.234 -6.158 -6.803 87 H VAL 11 H VAL 11 81.367 -1.994 -11.312 88 HA VAL 11 HA VAL 11 82.469 -4.529 -11.071 89 HB VAL 11 HB VAL 11 81.991 -4.791 -13.495 90 HG11 VAL 11 HG11 VAL 11 79.777 -3.256 -12.135 91 HG12 VAL 11 HG12 VAL 11 80.244 -4.875 -11.618 92 HG13 VAL 11 HG13 VAL 11 79.636 -4.611 -13.253 93 HG21 VAL 11 HG21 VAL 11 82.668 -2.456 -14.115 94 HG22 VAL 11 HG22 VAL 11 81.207 -1.873 -13.321 95 HG23 VAL 11 HG23 VAL 11 81.082 -2.909 -14.741 96 H GLN 12 H GLN 12 83.845 -1.627 -12.443 97 HA GLN 12 HA GLN 12 86.124 -3.151 -13.490 98 HB2 GLN 12 HB2 GLN 12 86.825 -1.015 -14.491 99 HB3 GLN 12 HB1 GLN 12 85.189 -1.472 -14.954 100 HG2 GLN 12 HG2 GLN 12 84.556 -0.009 -12.807 101 HG3 GLN 12 HG1 GLN 12 86.107 0.744 -13.166 102 HE21 GLN 12 HE21 GLN 12 83.591 -0.549 -15.392 103 HE22 GLN 12 HE22 GLN 12 83.390 0.907 -16.232 104 H LYS 13 H LYS 13 85.372 -1.058 -10.772 105 HA LYS 13 HA LYS 13 88.249 -0.772 -10.203 106 HB2 LYS 13 HB2 LYS 13 85.846 0.611 -9.019 107 HB3 LYS 13 HB3 LYS 13 87.493 0.838 -8.447 108 HG2 LYS 13 HG2 LYS 13 87.981 1.298 -11.021 109 HG3 LYS 13 HG3 LYS 13 86.264 1.686 -11.050 110 HD2 LYS 13 HD2 LYS 13 87.159 3.762 -10.514 111 HD3 LYS 13 HD3 LYS 13 86.865 3.111 -8.902 112 HE2 LYS 13 HE2 LYS 13 89.255 2.200 -8.990 113 HE3 LYS 13 HE3 LYS 13 89.482 3.216 -10.412 114 HZ1 LYS 13 HZ1 LYS 13 89.900 4.044 -7.914 115 HZ2 LYS 13 HZ2 LYS 13 88.282 4.522 -8.120 116 HZ3 LYS 13 HZ3 LYS 13 89.479 5.082 -9.188 117 H CYS 14 H CYS 14 85.357 -1.427 -8.162 118 HA CYS 14 HA CYS 14 87.095 -2.662 -6.197 119 HB2 CYS 14 HB2 CYS 14 84.126 -2.622 -5.936 120 HB3 CYS 14 HB1 CYS 14 85.358 -2.447 -4.690 121 H ALA 15 H ALA 15 84.613 -3.842 -8.439 122 HA ALA 15 HA ALA 15 84.120 -6.330 -7.377 123 HB1 ALA 15 HB1 ALA 15 84.069 -7.090 -9.865 124 HB2 ALA 15 HB2 ALA 15 84.386 -5.391 -10.214 125 HB3 ALA 15 HB3 ALA 15 82.933 -5.853 -9.327 126 H GLN 16 H GLN 16 87.067 -5.167 -8.818 127 HA GLN 16 HA GLN 16 88.386 -7.451 -9.575 128 HB2 GLN 16 HB2 GLN 16 89.235 -4.848 -8.421 129 HB3 GLN 16 HB1 GLN 16 90.433 -6.141 -8.416 130 HG2 GLN 16 HG2 GLN 16 90.032 -6.480 -10.851 131 HG3 GLN 16 HG1 GLN 16 88.909 -5.122 -10.832 132 HE21 GLN 16 HE21 GLN 16 90.864 -3.872 -8.700 133 HE22 GLN 16 HE22 GLN 16 92.080 -3.194 -9.671 134 H CYS 17 H CYS 17 88.433 -6.087 -6.251 135 HA CYS 17 HA CYS 17 88.896 -8.839 -5.261 136 HB2 CYS 17 HB2 CYS 17 90.108 -6.677 -3.656 137 HB3 CYS 17 HB1 CYS 17 90.745 -8.260 -4.080 138 H HIS 18 H HSD 18 86.347 -8.048 -5.313 139 HA HIS 18 HA HSD 18 85.692 -7.868 -2.499 140 HB2 HIS 18 HB2 HSD 18 85.170 -5.577 -4.366 141 HB3 HIS 18 HB1 HSD 18 84.045 -5.910 -3.053 142 HD1 HIS 18 HD1 HSD 18 84.980 -5.717 -0.597 143 HD2 HIS 18 HD2 HSD 18 87.641 -4.495 -3.559 144 HE1 HIS 18 HE1 HSD 18 86.821 -4.431 0.580 145 H THR 19 H THR 19 83.105 -7.518 -2.425 146 HA THR 19 HA THR 19 81.841 -9.124 -4.542 147 HB THR 19 HB THR 19 80.878 -9.858 -1.883 148 HG1 THR 19 HG1 THR 19 83.027 -11.214 -1.877 149 HG21 THR 19 HG21 THR 19 80.500 -11.018 -4.105 150 HG22 THR 19 HG22 THR 19 81.030 -12.070 -2.793 151 HG23 THR 19 HG23 THR 19 82.179 -11.548 -4.025 152 H VAL 20 H VAL 20 81.514 -7.050 -1.716 153 HA VAL 20 HA VAL 20 79.787 -5.725 -0.965 154 HB VAL 20 HB VAL 20 79.112 -4.056 -2.572 155 HG11 VAL 20 HG11 VAL 20 81.324 -3.358 -3.348 156 HG12 VAL 20 HG12 VAL 20 81.938 -4.997 -3.139 157 HG13 VAL 20 HG13 VAL 20 81.454 -4.053 -1.732 158 HG21 VAL 20 HG21 VAL 20 79.423 -4.295 -4.926 159 HG22 VAL 20 HG22 VAL 20 78.646 -5.786 -4.404 160 HG23 VAL 20 HG23 VAL 20 80.376 -5.761 -4.723 161 H GLU 21 H GLU 21 78.906 -8.437 -1.524 162 HA GLU 21 HA GLU 21 76.055 -7.826 -1.938 163 HB2 GLU 21 HB2 GLU 21 75.737 -9.772 -3.354 164 HB3 GLU 21 HB3 GLU 21 76.945 -8.713 -4.080 165 HG2 GLU 21 HG2 GLU 21 78.682 -10.169 -2.832 166 HG3 GLU 21 HG3 GLU 21 77.366 -11.326 -2.637 167 H LYS 22 H LYS 22 74.945 -8.504 -0.249 168 HA LYS 22 HA LYS 22 75.806 -9.739 1.991 169 HB2 LYS 22 HB2 LYS 22 73.412 -8.884 1.277 170 HB3 LYS 22 HB3 LYS 22 73.124 -10.591 0.954 171 HG2 LYS 22 HG2 LYS 22 72.490 -10.436 3.196 172 HG3 LYS 22 HG3 LYS 22 74.173 -10.935 3.344 173 HD2 LYS 22 HD2 LYS 22 74.255 -9.132 4.771 174 HD3 LYS 22 HD3 LYS 22 74.534 -8.259 3.265 175 HE2 LYS 22 HE2 LYS 22 71.847 -8.653 4.619 176 HE3 LYS 22 HE3 LYS 22 72.776 -7.154 4.575 177 HZ1 LYS 22 HZ1 LYS 22 71.136 -7.064 2.872 178 HZ2 LYS 22 HZ2 LYS 22 71.580 -8.590 2.269 179 HZ3 LYS 22 HZ3 LYS 22 72.640 -7.271 2.116 180 H GLY 23 H GLY 23 76.376 -11.733 2.674 181 HA2 GLY 23 HA2 GLY 23 76.948 -13.961 2.597 182 HA3 GLY 23 HA3 GLY 23 75.559 -14.177 1.534 183 H GLY 24 H GLY 24 78.130 -11.965 0.739 184 HA2 GLY 24 HA2 GLY 24 78.739 -13.525 -1.654 185 HA3 GLY 24 HA3 GLY 24 79.218 -11.865 -1.343 186 H LYS 25 H LYS 25 80.180 -15.034 -1.378 187 HA LYS 25 HA LYS 25 82.071 -15.390 0.579 188 HB2 LYS 25 HB2 LYS 25 83.380 -16.601 -1.359 189 HB3 LYS 25 HB3 LYS 25 81.827 -17.233 -0.814 190 HG2 LYS 25 HG2 LYS 25 80.678 -16.405 -2.676 191 HG3 LYS 25 HG3 LYS 25 81.912 -15.196 -3.026 192 HD2 LYS 25 HD2 LYS 25 82.574 -18.133 -3.187 193 HD3 LYS 25 HD3 LYS 25 81.772 -17.329 -4.535 194 HE2 LYS 25 HE2 LYS 25 83.657 -15.562 -4.352 195 HE3 LYS 25 HE3 LYS 25 84.499 -16.762 -3.371 196 HZ1 LYS 25 HZ1 LYS 25 83.378 -17.440 -6.018 197 HZ2 LYS 25 HZ2 LYS 25 84.574 -18.260 -5.132 198 HZ3 LYS 25 HZ3 LYS 25 84.927 -16.767 -5.862 199 H HIS 26 H HIS 26 83.550 -13.970 1.257 200 HA HIS 26 HA HIS 26 84.624 -11.874 -0.298 201 HB2 HIS 26 HB2 HIS 26 86.413 -11.941 1.624 202 HB3 HIS 26 HB1 HIS 26 84.752 -11.477 1.990 203 HD1 HIS 26 HD1 HIS 26 87.134 -14.397 2.270 204 HD2 HIS 26 HD2 HIS 26 83.355 -13.286 3.636 205 HE1 HIS 26 HE1 HIS 26 86.461 -16.122 3.999 206 HE2 HIS 26 HE2 HIS 26 84.159 -15.458 4.842 207 H LYS 27 H LYS 27 86.178 -11.858 -1.768 208 HA LYS 27 HA LYS 27 88.158 -14.059 -1.797 209 HB2 LYS 27 HB2 LYS 27 88.048 -14.124 -4.216 210 HB3 LYS 27 HB3 LYS 27 86.421 -14.351 -3.573 211 HG2 LYS 27 HG2 LYS 27 86.119 -11.824 -3.835 212 HG3 LYS 27 HG3 LYS 27 87.602 -11.848 -4.789 213 HD2 LYS 27 HD2 LYS 27 86.613 -13.439 -6.357 214 HD3 LYS 27 HD3 LYS 27 85.148 -13.527 -5.378 215 HE2 LYS 27 HE2 LYS 27 84.906 -11.991 -7.332 216 HE3 LYS 27 HE3 LYS 27 84.682 -11.168 -5.788 217 HZ1 LYS 27 HZ1 LYS 27 86.197 -10.085 -7.511 218 HZ2 LYS 27 HZ2 LYS 27 87.329 -11.280 -7.092 219 HZ3 LYS 27 HZ3 LYS 27 86.768 -10.187 -5.918 220 H THR 28 H THR 28 90.232 -13.424 -1.981 221 HA THR 28 HA THR 28 92.009 -11.952 -1.857 222 HB THR 28 HB THR 28 90.767 -10.568 -4.221 223 HG1 THR 28 HG1 THR 28 91.336 -12.299 -5.475 224 HG21 THR 28 HG21 THR 28 93.003 -10.277 -4.918 225 HG22 THR 28 HG22 THR 28 93.590 -11.564 -3.863 226 HG23 THR 28 HG23 THR 28 93.075 -10.025 -3.173 227 H GLY 29 H GLY 29 89.522 -11.191 -0.428 228 HA2 GLY 29 HA2 GLY 29 90.205 -8.866 0.782 229 HA3 GLY 29 HA3 GLY 29 89.309 -8.315 -0.631 230 HA PRO 30 HA PRO 30 86.461 -9.920 2.879 231 HB2 PRO 30 HB2 PRO 30 85.978 -7.640 4.300 232 HB3 PRO 30 HB1 PRO 30 87.307 -8.751 4.684 233 HG2 PRO 30 HG2 PRO 30 87.374 -6.169 3.194 234 HG3 PRO 30 HG1 PRO 30 88.512 -6.810 4.392 235 HD2 PRO 30 HD2 PRO 30 88.978 -6.912 1.693 236 HD3 PRO 30 HD1 PRO 30 89.629 -8.107 2.837 237 H ASN 31 H ASN 31 84.192 -8.924 3.410 238 HA ASN 31 HA ASN 31 83.099 -7.869 0.886 239 HB2 ASN 31 HB2 ASN 31 80.980 -8.694 1.630 240 HB3 ASN 31 HB1 ASN 31 82.156 -9.964 1.962 241 HD21 ASN 31 HD21 ASN 31 82.829 -10.268 4.235 242 HD22 ASN 31 HD22 ASN 31 81.866 -9.673 5.501 243 H LEU 32 H LEU 32 81.397 -6.226 1.032 244 HA LEU 32 HA LEU 32 81.915 -4.321 3.241 245 HB2 LEU 32 HB2 LEU 32 80.891 -3.605 0.490 246 HB3 LEU 32 HB3 LEU 32 81.477 -2.513 1.739 247 HG LEU 32 HG LEU 32 83.089 -4.478 0.092 248 HD11 LEU 32 HD11 LEU 32 83.043 -1.470 0.441 249 HD12 LEU 32 HD12 LEU 32 82.801 -2.395 -1.039 250 HD13 LEU 32 HD13 LEU 32 84.399 -2.312 -0.306 251 HD21 LEU 32 HD21 LEU 32 83.715 -3.141 2.708 252 HD22 LEU 32 HD22 LEU 32 85.003 -3.334 1.526 253 HD23 LEU 32 HD23 LEU 32 84.160 -4.748 2.146 254 H HIS 33 H HIS 33 80.000 -6.441 3.419 255 HA HIS 33 HA HIS 33 77.371 -5.567 2.801 256 HB2 HIS 33 HB2 HIS 33 78.214 -7.436 5.027 257 HB3 HIS 33 HB1 HIS 33 76.624 -7.339 4.270 258 HD1 HIS 33 HD1 HIS 33 78.599 -9.882 4.249 259 HD2 HIS 33 HD2 HIS 33 77.974 -7.211 1.110 260 HE1 HIS 33 HE1 HIS 33 79.236 -11.109 2.127 261 HE2 HIS 33 HE2 HIS 33 78.859 -9.493 0.204 262 H GLY 34 H GLY 34 75.847 -4.476 4.032 263 HA2 GLY 34 HA2 GLY 34 75.281 -2.667 5.400 264 HA3 GLY 34 HA3 GLY 34 75.685 -3.847 6.646 265 H LEU 35 H LEU 35 78.054 -2.652 4.410 266 HA LEU 35 HA LEU 35 80.038 -2.041 6.183 267 HB2 LEU 35 HB2 LEU 35 80.408 -2.096 3.788 268 HB3 LEU 35 HB3 LEU 35 79.366 -0.696 3.559 269 HG LEU 35 HG LEU 35 81.107 0.390 5.297 270 HD11 LEU 35 HD11 LEU 35 82.911 -1.416 3.714 271 HD12 LEU 35 HD12 LEU 35 82.310 -1.914 5.293 272 HD13 LEU 35 HD13 LEU 35 83.293 -0.457 5.140 273 HD21 LEU 35 HD21 LEU 35 81.800 0.034 2.371 274 HD22 LEU 35 HD22 LEU 35 82.222 1.396 3.409 275 HD23 LEU 35 HD23 LEU 35 80.540 1.126 2.949 276 H PHE 36 H PHE 36 77.820 0.354 4.772 277 HA PHE 36 HA PHE 36 78.649 2.563 6.228 278 HB2 PHE 36 HB2 PHE 36 75.793 2.041 5.384 279 HB3 PHE 36 HB1 PHE 36 76.584 3.604 5.594 280 HD1 PHE 36 HD2 PHE 36 76.570 0.497 3.535 281 HD2 PHE 36 HD1 PHE 36 77.915 4.568 3.853 282 HE1 PHE 36 HE2 PHE 36 77.358 0.424 1.188 283 HE2 PHE 36 HE1 PHE 36 78.691 4.493 1.509 284 HZ PHE 36 HZ PHE 36 78.415 2.423 0.170 285 H GLY 37 H GLY 37 79.042 2.121 8.407 286 HA2 GLY 37 HA2 GLY 37 77.607 2.834 10.416 287 HA3 GLY 37 HA3 GLY 37 76.696 1.382 10.046 288 H ARG 38 H ARG 38 79.199 -0.102 9.302 289 HA ARG 38 HA ARG 38 79.847 -0.939 12.015 290 HB2 ARG 38 HB2 ARG 38 80.120 -2.074 9.302 291 HB3 ARG 38 HB3 ARG 38 81.417 -2.491 10.420 292 HG2 ARG 38 HG2 ARG 38 79.600 -3.143 12.091 293 HG3 ARG 38 HG3 ARG 38 78.453 -3.000 10.759 294 HD2 ARG 38 HD2 ARG 38 80.894 -4.625 10.239 295 HD3 ARG 38 HD3 ARG 38 79.717 -5.312 11.350 296 HE ARG 38 HE ARG 38 78.098 -4.670 9.361 297 HH11 ARG 38 HH21 ARG 38 81.301 -6.011 9.241 298 HH12 ARG 38 HH22 ARG 38 81.030 -6.857 7.756 299 HH21 ARG 38 HH11 ARG 38 77.750 -5.796 7.427 300 HH22 ARG 38 HH12 ARG 38 79.024 -6.742 6.736 301 H LYS 39 H LYS 39 81.828 -0.880 12.998 302 HA LYS 39 HA LYS 39 83.552 1.279 12.390 303 HB2 LYS 39 HB2 LYS 39 83.668 -1.036 14.295 304 HB3 LYS 39 HB3 LYS 39 85.070 0.012 14.090 305 HG2 LYS 39 HG2 LYS 39 82.439 1.362 14.488 306 HG3 LYS 39 HG3 LYS 39 83.130 0.540 15.886 307 HD2 LYS 39 HD2 LYS 39 85.237 1.803 15.590 308 HD3 LYS 39 HD3 LYS 39 84.539 2.635 14.201 309 HE2 LYS 39 HE2 LYS 39 84.188 4.140 15.985 310 HE3 LYS 39 HE3 LYS 39 82.636 3.320 15.822 311 HZ1 LYS 39 HZ1 LYS 39 83.025 3.147 18.060 312 HZ2 LYS 39 HZ2 LYS 39 84.707 2.990 17.881 313 HZ3 LYS 39 HZ3 LYS 39 83.685 1.683 17.515 314 H THR 40 H THR 40 86.023 0.883 12.258 315 HA THR 40 HA THR 40 86.566 -0.396 9.778 316 HB THR 40 HB THR 40 88.986 0.114 10.448 317 HG1 THR 40 HG1 THR 40 87.975 1.821 12.363 318 HG21 THR 40 HG21 THR 40 87.619 1.587 9.018 319 HG22 THR 40 HG22 THR 40 88.661 2.522 10.089 320 HG23 THR 40 HG23 THR 40 86.945 2.352 10.456 321 H GLY 41 H GLY 41 87.803 -2.205 9.309 322 HA2 GLY 41 HA2 GLY 41 88.309 -4.439 9.565 323 HA3 GLY 41 HA3 GLY 41 89.256 -3.852 10.928 324 H GLN 42 H GLN 42 85.755 -4.153 10.331 325 HA GLN 42 HA GLN 42 85.535 -5.619 12.894 326 HB2 GLN 42 HB2 GLN 42 84.370 -3.332 12.565 327 HB3 GLN 42 HB1 GLN 42 83.250 -4.214 11.528 328 HG2 GLN 42 HG2 GLN 42 82.877 -5.828 13.420 329 HG3 GLN 42 HG1 GLN 42 83.854 -4.776 14.443 330 HE21 GLN 42 HE21 GLN 42 82.377 -2.666 12.386 331 HE22 GLN 42 HE22 GLN 42 80.975 -2.322 13.279 332 H ALA 43 H ALA 43 85.194 -5.868 9.509 333 HA ALA 43 HA ALA 43 83.096 -7.784 9.404 334 HB1 ALA 43 HB1 ALA 43 84.575 -8.293 7.166 335 HB2 ALA 43 HB2 ALA 43 85.075 -6.646 7.549 336 HB3 ALA 43 HB3 ALA 43 83.371 -7.012 7.296 337 HA PRO 44 HA PRO 44 85.713 -11.123 10.927 338 HB2 PRO 44 HB2 PRO 44 83.773 -12.975 11.263 339 HB3 PRO 44 HB1 PRO 44 83.935 -11.583 12.354 340 HG2 PRO 44 HG2 PRO 44 82.034 -12.004 10.096 341 HG3 PRO 44 HG1 PRO 44 81.751 -11.280 11.688 342 HD2 PRO 44 HD2 PRO 44 82.166 -9.820 9.374 343 HD3 PRO 44 HD1 PRO 44 82.476 -9.204 11.014 344 H GLY 45 H GLY 45 86.988 -12.203 9.524 345 HA2 GLY 45 HA2 GLY 45 86.444 -14.398 8.053 346 HA3 GLY 45 HA3 GLY 45 85.980 -13.101 6.954 347 H PHE 46 H PHE 46 87.594 -11.576 6.285 348 HA PHE 46 HA PHE 46 90.127 -12.790 5.756 349 HB2 PHE 46 HB2 PHE 46 88.912 -11.142 4.261 350 HB3 PHE 46 HB1 PHE 46 89.401 -9.878 5.390 351 HD1 PHE 46 HD1 PHE 46 90.778 -12.663 3.304 352 HD2 PHE 46 HD2 PHE 46 91.531 -8.892 5.218 353 HE1 PHE 46 HE1 PHE 46 93.005 -12.557 2.219 354 HE2 PHE 46 HE2 PHE 46 93.759 -8.786 4.133 355 HZ PHE 46 HZ PHE 46 94.495 -10.618 2.633 356 H THR 47 H THR 47 92.195 -12.089 6.437 357 HA THR 47 HA THR 47 92.337 -11.376 9.206 358 HB THR 47 HB THR 47 94.641 -11.396 7.259 359 HG1 THR 47 HG1 THR 47 93.077 -13.460 8.287 360 HG21 THR 47 HG21 THR 47 94.377 -12.012 10.214 361 HG22 THR 47 HG22 THR 47 95.118 -10.571 9.516 362 HG23 THR 47 HG23 THR 47 95.866 -12.151 9.279 363 H TYR 48 H TYR 48 91.238 -9.317 9.165 364 HA TYR 48 HA TYR 48 92.035 -7.080 7.684 365 HB2 TYR 48 HB2 TYR 48 90.555 -7.521 10.231 366 HB3 TYR 48 HB3 TYR 48 91.146 -5.892 9.922 367 HD1 TYR 48 HD1 TYR 48 90.453 -4.669 7.891 368 HD2 TYR 48 HD2 TYR 48 88.761 -8.474 8.924 369 HE1 TYR 48 HE1 TYR 48 88.586 -4.259 6.322 370 HE2 TYR 48 HE2 TYR 48 86.887 -8.066 7.352 371 HH TYR 48 HH TYR 48 86.342 -4.966 5.933 372 H THR 49 H THR 49 93.311 -5.263 8.256 373 HA THR 49 HA THR 49 95.771 -5.987 9.604 374 HB THR 49 HB THR 49 96.525 -3.745 8.891 375 HG1 THR 49 HG1 THR 49 94.573 -2.648 9.084 376 HG21 THR 49 HG21 THR 49 96.022 -4.121 6.374 377 HG22 THR 49 HG22 THR 49 95.154 -5.558 6.911 378 HG23 THR 49 HG23 THR 49 96.879 -5.394 7.244 379 H ASP 50 H ASP 50 96.738 -4.627 11.269 380 HA ASP 50 HA ASP 50 95.105 -4.296 13.520 381 HB2 ASP 50 HB2 ASP 50 97.069 -2.902 14.376 382 HB3 ASP 50 HB1 ASP 50 97.427 -4.560 13.894 383 H ALA 51 H ALA 51 96.409 -1.863 11.279 384 HA ALA 51 HA ALA 51 95.433 0.439 12.455 385 HB1 ALA 51 HB1 ALA 51 95.572 1.469 10.279 386 HB2 ALA 51 HB2 ALA 51 95.491 -0.103 9.482 387 HB3 ALA 51 HB3 ALA 51 96.907 0.328 10.441 388 H ASN 52 H ASN 52 93.733 -1.818 10.310 389 HA ASN 52 HA ASN 52 91.308 -0.236 10.349 390 HB2 ASN 52 HB2 ASN 52 92.356 -2.222 8.686 391 HB3 ASN 52 HB1 ASN 52 91.000 -3.011 9.483 392 HD21 ASN 52 HD21 ASN 52 90.123 -2.916 7.139 393 HD22 ASN 52 HD22 ASN 52 89.288 -1.510 6.684 394 H LYS 53 H LYS 53 92.678 -2.899 12.111 395 HA LYS 53 HA LYS 53 90.173 -3.586 13.416 396 HB2 LYS 53 HB2 LYS 53 91.407 -5.519 13.195 397 HB3 LYS 53 HB3 LYS 53 92.945 -4.677 13.320 398 HG2 LYS 53 HG2 LYS 53 92.710 -4.455 15.714 399 HG3 LYS 53 HG3 LYS 53 91.059 -5.075 15.652 400 HD2 LYS 53 HD2 LYS 53 91.991 -7.219 14.699 401 HD3 LYS 53 HD3 LYS 53 93.606 -6.591 15.031 402 HE2 LYS 53 HE2 LYS 53 93.058 -7.908 16.934 403 HE3 LYS 53 HE3 LYS 53 92.799 -6.239 17.444 404 HZ1 LYS 53 HZ1 LYS 53 90.903 -8.372 17.128 405 HZ2 LYS 53 HZ2 LYS 53 90.418 -6.936 16.358 406 HZ3 LYS 53 HZ3 LYS 53 90.777 -6.935 18.019 407 H ASN 54 H ASN 54 92.437 -1.195 13.668 408 HA ASN 54 HA ASN 54 92.732 -0.988 16.504 409 HB2 ASN 54 HB2 ASN 54 93.904 0.946 16.067 410 HB3 ASN 54 HB1 ASN 54 94.084 0.118 14.526 411 HD21 ASN 54 HD21 ASN 54 91.383 0.625 13.549 412 HD22 ASN 54 HD22 ASN 54 91.261 2.289 13.246 413 H LYS 55 H LYS 55 90.253 -0.266 14.284 414 HA LYS 55 HA LYS 55 88.173 0.712 14.497 415 HB2 LYS 55 HB2 LYS 55 88.828 -0.071 17.321 416 HB3 LYS 55 HB3 LYS 55 87.396 0.902 17.008 417 HG2 LYS 55 HG2 LYS 55 86.611 -1.325 16.914 418 HG3 LYS 55 HG3 LYS 55 86.803 -0.868 15.225 419 HD2 LYS 55 HD2 LYS 55 88.926 -2.014 15.087 420 HD3 LYS 55 HD3 LYS 55 88.919 -2.329 16.823 421 HE2 LYS 55 HE2 LYS 55 86.731 -3.595 16.441 422 HE3 LYS 55 HE3 LYS 55 87.091 -3.498 14.717 423 HZ1 LYS 55 HZ1 LYS 55 87.998 -5.403 16.438 424 HZ2 LYS 55 HZ2 LYS 55 89.334 -4.367 16.266 425 HZ3 LYS 55 HZ3 LYS 55 88.624 -5.079 14.895 426 H GLY 56 H GLY 56 89.667 2.616 13.771 427 HA2 GLY 56 HA2 GLY 56 89.842 4.723 15.805 428 HA3 GLY 56 HA3 GLY 56 90.543 4.777 14.191 429 H ILE 57 H ILE 57 88.099 3.920 12.855 430 HA ILE 57 HA ILE 57 86.177 6.053 13.450 431 HB ILE 57 HB ILE 57 86.186 6.904 11.176 432 HG12 ILE 57 HG12 ILE 57 88.370 6.045 9.842 433 HG13 ILE 57 HG13 ILE 57 88.031 4.584 10.764 434 HG21 ILE 57 HG21 ILE 57 87.809 7.778 12.922 435 HG22 ILE 57 HG22 ILE 57 88.268 8.089 11.248 436 HG23 ILE 57 HG23 ILE 57 89.049 6.789 12.148 437 HD11 ILE 57 HD11 ILE 57 86.923 4.815 8.438 438 HD12 ILE 57 HD12 ILE 57 85.855 5.987 9.204 439 HD13 ILE 57 HD13 ILE 57 85.890 4.320 9.775 440 H THR 58 H THR 58 84.392 5.873 11.565 441 HA THR 58 HA THR 58 83.798 2.996 11.227 442 HB THR 58 HB THR 58 81.960 5.224 12.102 443 HG1 THR 58 HG1 THR 58 81.583 3.286 13.621 444 HG21 THR 58 HG21 THR 58 81.354 2.494 10.972 445 HG22 THR 58 HG22 THR 58 80.669 4.046 10.499 446 HG23 THR 58 HG23 THR 58 80.227 3.320 12.044 447 H TRP 59 H TRP 59 82.940 2.347 9.318 448 HA TRP 59 HA TRP 59 83.326 3.964 7.024 449 HB2 TRP 59 HB2 TRP 59 81.479 1.588 7.108 450 HB3 TRP 59 HB1 TRP 59 82.483 2.156 5.774 451 HD1 TRP 59 HD1 TRP 59 85.251 2.431 7.177 452 HE1 TRP 59 HE1 TRP 59 86.523 0.328 7.981 453 HE3 TRP 59 HE3 TRP 59 81.386 -0.882 7.535 454 HZ2 TRP 59 HZ2 TRP 59 85.962 -2.374 8.713 455 HZ3 TRP 59 HZ3 TRP 59 81.783 -3.211 8.277 456 HH2 TRP 59 HH2 TRP 59 84.067 -3.959 8.867 457 H LYS 60 H LYS 60 81.942 5.205 5.861 458 HA LYS 60 HA LYS 60 79.087 5.191 6.381 459 HB2 LYS 60 HB2 LYS 60 80.825 7.566 7.090 460 HB3 LYS 60 HB3 LYS 60 79.077 7.660 6.892 461 HG2 LYS 60 HG2 LYS 60 78.938 5.757 8.613 462 HG3 LYS 60 HG3 LYS 60 80.633 6.095 8.957 463 HD2 LYS 60 HD2 LYS 60 78.515 8.254 9.018 464 HD3 LYS 60 HD3 LYS 60 78.924 7.292 10.437 465 HE2 LYS 60 HE2 LYS 60 81.327 7.980 10.123 466 HE3 LYS 60 HE3 LYS 60 80.788 9.078 8.853 467 HZ1 LYS 60 HZ1 LYS 60 79.384 9.228 11.399 468 HZ2 LYS 60 HZ2 LYS 60 79.828 10.468 10.325 469 HZ3 LYS 60 HZ3 LYS 60 80.980 9.802 11.382 470 H GLU 61 H GLU 61 78.451 7.616 5.168 471 HA GLU 61 HA GLU 61 78.945 6.958 2.415 472 HB2 GLU 61 HB2 GLU 61 76.788 7.892 3.211 473 HB3 GLU 61 HB3 GLU 61 77.609 9.406 3.592 474 HG2 GLU 61 HG2 GLU 61 78.196 9.753 1.274 475 HG3 GLU 61 HG3 GLU 61 77.607 8.150 0.836 476 H GLU 62 H GLU 62 79.607 9.901 4.337 477 HA GLU 62 HA GLU 62 81.318 11.034 2.361 478 HB2 GLU 62 HB2 GLU 62 81.065 11.657 5.314 479 HB3 GLU 62 HB3 GLU 62 81.903 12.658 4.128 480 HG2 GLU 62 HG2 GLU 62 79.854 13.051 2.910 481 HG3 GLU 62 HG3 GLU 62 78.984 11.883 3.903 482 H THR 63 H THR 63 81.911 9.165 5.316 483 HA THR 63 HA THR 63 84.694 9.432 5.431 484 HB THR 63 HB THR 63 84.677 7.325 6.693 485 HG1 THR 63 HG1 THR 63 82.472 6.403 6.903 486 HG21 THR 63 HG21 THR 63 82.432 9.275 7.197 487 HG22 THR 63 HG22 THR 63 84.017 9.216 7.967 488 HG23 THR 63 HG23 THR 63 82.816 7.974 8.322 489 H LEU 64 H LEU 64 82.642 7.309 3.518 490 HA LEU 64 HA LEU 64 84.747 5.688 2.495 491 HB2 LEU 64 HB2 LEU 64 81.877 6.002 2.051 492 HB3 LEU 64 HB3 LEU 64 82.752 5.663 0.566 493 HG LEU 64 HG LEU 64 83.193 4.029 3.067 494 HD11 LEU 64 HD11 LEU 64 80.907 4.045 1.209 495 HD12 LEU 64 HD12 LEU 64 81.050 3.327 2.810 496 HD13 LEU 64 HD13 LEU 64 81.657 2.461 1.399 497 HD21 LEU 64 HD21 LEU 64 83.479 3.173 0.185 498 HD22 LEU 64 HD22 LEU 64 84.261 2.502 1.615 499 HD23 LEU 64 HD23 LEU 64 84.773 4.065 0.982 500 H MET 65 H MET 65 83.240 8.716 1.480 501 HA MET 65 HA MET 65 84.289 8.872 -1.117 502 HB2 MET 65 HB2 MET 65 83.679 11.097 0.838 503 HB3 MET 65 HB1 MET 65 83.993 11.328 -0.882 504 HG2 MET 65 HG2 MET 65 82.061 10.046 -1.494 505 HG3 MET 65 HG1 MET 65 81.827 9.499 0.165 506 HE1 MET 65 HE1 MET 65 80.206 13.125 -1.863 507 HE2 MET 65 HE2 MET 65 80.330 11.436 -2.348 508 HE3 MET 65 HE3 MET 65 81.774 12.445 -2.320 509 H GLU 66 H GLU 66 85.595 10.409 1.836 510 HA GLU 66 HA GLU 66 87.985 11.302 0.638 511 HB2 GLU 66 HB2 GLU 66 87.479 10.556 3.531 512 HB3 GLU 66 HB3 GLU 66 88.823 11.531 2.938 513 HG2 GLU 66 HG2 GLU 66 86.002 12.343 2.280 514 HG3 GLU 66 HG3 GLU 66 86.667 12.719 3.868 515 H TYR 67 H TYR 67 87.005 8.267 2.025 516 HA TYR 67 HA TYR 67 89.647 7.106 2.087 517 HB2 TYR 67 HB2 TYR 67 88.103 6.272 3.686 518 HB3 TYR 67 HB3 TYR 67 86.857 6.038 2.469 519 HD1 TYR 67 HD2 TYR 67 87.093 4.225 0.758 520 HD2 TYR 67 HD1 TYR 67 89.796 4.618 4.073 521 HE1 TYR 67 HE2 TYR 67 87.873 1.899 0.399 522 HE2 TYR 67 HE1 TYR 67 90.573 2.290 3.716 523 HH TYR 67 HH TYR 67 90.084 0.595 0.954 524 H LEU 68 H LEU 68 87.097 7.439 -0.233 525 HA LEU 68 HA LEU 68 87.933 5.236 -1.891 526 HB2 LEU 68 HB2 LEU 68 85.798 7.280 -1.927 527 HB3 LEU 68 HB3 LEU 68 86.351 6.763 -3.514 528 HG LEU 68 HG LEU 68 85.498 4.869 -1.304 529 HD11 LEU 68 HD11 LEU 68 83.548 4.509 -2.984 530 HD12 LEU 68 HD12 LEU 68 84.010 6.087 -3.626 531 HD13 LEU 68 HD13 LEU 68 83.511 5.927 -1.944 532 HD21 LEU 68 HD21 LEU 68 86.726 3.483 -2.644 533 HD22 LEU 68 HD22 LEU 68 86.607 4.543 -4.043 534 HD23 LEU 68 HD23 LEU 68 85.261 3.492 -3.619 535 H GLU 69 H GLU 69 88.886 8.532 -1.530 536 HA GLU 69 HA GLU 69 90.187 8.534 -4.177 537 HB2 GLU 69 HB2 GLU 69 90.692 10.939 -3.591 538 HB3 GLU 69 HB3 GLU 69 88.982 10.552 -3.775 539 HG2 GLU 69 HG2 GLU 69 88.605 10.578 -1.451 540 HG3 GLU 69 HG3 GLU 69 90.318 10.427 -1.080 541 H ASN 70 H ASN 70 90.830 7.706 -1.029 542 HA ASN 70 HA ASN 70 93.624 7.365 -1.523 543 HB2 ASN 70 HB2 ASN 70 94.505 8.842 0.194 544 HB3 ASN 70 HB1 ASN 70 93.612 9.782 -0.996 545 HD21 ASN 70 HD21 ASN 70 93.443 8.481 2.322 546 HD22 ASN 70 HD22 ASN 70 92.197 9.514 2.832 547 HA PRO 71 HA PRO 71 91.117 4.593 1.454 548 HB2 PRO 71 HB2 PRO 71 92.889 2.745 -0.104 549 HB3 PRO 71 HB1 PRO 71 91.216 2.511 0.438 550 HG2 PRO 71 HG2 PRO 71 91.821 3.142 -2.097 551 HG3 PRO 71 HG1 PRO 71 90.340 3.707 -1.306 552 HD2 PRO 71 HD2 PRO 71 92.753 5.246 -2.066 553 HD3 PRO 71 HD1 PRO 71 91.101 5.817 -1.756 554 H LYS 72 H LYS 72 94.547 4.527 0.487 555 HA LYS 72 HA LYS 72 95.424 3.297 2.924 556 HB2 LYS 72 HB2 LYS 72 96.615 3.087 0.752 557 HB3 LYS 72 HB3 LYS 72 97.053 4.790 0.865 558 HG2 LYS 72 HG2 LYS 72 98.805 4.270 2.188 559 HG3 LYS 72 HG3 LYS 72 97.713 3.549 3.366 560 HD2 LYS 72 HD2 LYS 72 98.632 2.059 0.898 561 HD3 LYS 72 HD3 LYS 72 99.524 2.011 2.417 562 HE2 LYS 72 HE2 LYS 72 96.611 1.231 2.086 563 HE3 LYS 72 HE3 LYS 72 97.957 0.100 2.219 564 HZ1 LYS 72 HZ1 LYS 72 96.889 1.947 4.260 565 HZ2 LYS 72 HZ2 LYS 72 98.476 1.348 4.370 566 HZ3 LYS 72 HZ3 LYS 72 97.158 0.277 4.375 567 H LYS 73 H LYS 73 95.656 6.620 1.640 568 HA LYS 73 HA LYS 73 97.080 7.677 3.817 569 HB2 LYS 73 HB2 LYS 73 96.471 8.668 1.438 570 HB3 LYS 73 HB3 LYS 73 95.148 9.409 2.336 571 HG2 LYS 73 HG2 LYS 73 96.927 10.173 4.023 572 HG3 LYS 73 HG3 LYS 73 98.117 9.721 2.803 573 HD2 LYS 73 HD2 LYS 73 97.793 11.945 2.234 574 HD3 LYS 73 HD3 LYS 73 96.561 11.192 1.223 575 HE2 LYS 73 HE2 LYS 73 95.407 12.949 2.302 576 HE3 LYS 73 HE3 LYS 73 94.983 11.527 3.252 577 HZ1 LYS 73 HZ1 LYS 73 96.988 13.608 3.894 578 HZ2 LYS 73 HZ2 LYS 73 96.923 12.118 4.707 579 HZ3 LYS 73 HZ3 LYS 73 95.604 13.187 4.779 580 H TYR 74 H TYR 74 93.856 6.598 3.728 581 HA TYR 74 HA TYR 74 92.924 8.463 5.765 582 HB2 TYR 74 HB2 TYR 74 91.567 7.237 3.814 583 HB3 TYR 74 HB3 TYR 74 91.345 6.031 5.077 584 HD1 TYR 74 HD1 TYR 74 90.798 9.578 4.158 585 HD2 TYR 74 HD2 TYR 74 89.972 6.485 7.020 586 HE1 TYR 74 HE1 TYR 74 89.064 11.008 5.206 587 HE2 TYR 74 HE2 TYR 74 88.239 7.913 8.066 588 HH TYR 74 HH TYR 74 87.975 11.194 7.498 589 H ILE 75 H ILE 75 93.293 4.906 5.558 590 HA ILE 75 HA ILE 75 93.831 4.898 8.474 591 HB ILE 75 HB ILE 75 92.601 2.585 6.976 592 HG12 ILE 75 HG12 ILE 75 91.153 4.758 8.526 593 HG13 ILE 75 HG13 ILE 75 91.157 4.611 6.772 594 HG21 ILE 75 HG21 ILE 75 91.886 1.968 9.277 595 HG22 ILE 75 HG22 ILE 75 92.717 3.392 9.900 596 HG23 ILE 75 HG23 ILE 75 93.640 2.093 9.145 597 HD11 ILE 75 HD11 ILE 75 90.297 2.295 8.489 598 HD12 ILE 75 HD12 ILE 75 89.912 2.621 6.801 599 HD13 ILE 75 HD13 ILE 75 89.163 3.581 8.076 600 HA PRO 76 HA PRO 76 97.636 3.579 6.044 601 HB2 PRO 76 HB2 PRO 76 98.619 4.299 8.786 602 HB3 PRO 76 HB1 PRO 76 99.362 4.616 7.205 603 HG2 PRO 76 HG2 PRO 76 98.075 6.529 8.542 604 HG3 PRO 76 HG1 PRO 76 98.001 6.418 6.776 605 HD2 PRO 76 HD2 PRO 76 95.892 5.802 8.778 606 HD3 PRO 76 HD1 PRO 76 95.726 6.286 7.077 607 H GLY 77 H GLY 77 98.097 1.464 5.934 608 HA2 GLY 77 HA2 GLY 77 99.078 -0.468 7.125 609 HA3 GLY 77 HA3 GLY 77 97.891 -0.182 8.394 610 H THR 78 H THR 78 95.757 0.450 6.463 611 HA THR 78 HA THR 78 94.559 -2.055 6.210 612 HB THR 78 HB THR 78 93.399 0.171 6.069 613 HG1 THR 78 HG1 THR 78 91.973 -1.197 5.381 614 HG21 THR 78 HG21 THR 78 93.423 1.405 4.041 615 HG22 THR 78 HG22 THR 78 94.233 0.102 3.171 616 HG23 THR 78 HG23 THR 78 95.114 1.037 4.379 617 H LYS 79 H LYS 79 94.636 -3.658 4.719 618 HA LYS 79 HA LYS 79 96.709 -3.481 2.688 619 HB2 LYS 79 HB2 LYS 79 95.993 -5.530 4.224 620 HB3 LYS 79 HB3 LYS 79 94.887 -5.843 2.889 621 HG2 LYS 79 HG2 LYS 79 96.757 -7.019 2.167 622 HG3 LYS 79 HG3 LYS 79 97.054 -5.453 1.412 623 HD2 LYS 79 HD2 LYS 79 98.481 -4.804 3.328 624 HD3 LYS 79 HD3 LYS 79 98.193 -6.379 4.067 625 HE2 LYS 79 HE2 LYS 79 100.294 -6.551 2.932 626 HE3 LYS 79 HE3 LYS 79 99.123 -7.416 1.935 627 HZ1 LYS 79 HZ1 LYS 79 99.955 -6.117 0.324 628 HZ2 LYS 79 HZ2 LYS 79 100.545 -4.946 1.405 629 HZ3 LYS 79 HZ3 LYS 79 98.906 -4.945 0.959 630 H MET 80 H MET 80 95.944 -2.015 1.176 631 HA MET 80 HA MET 80 94.321 -3.086 -0.898 632 HB2 MET 80 HB2 MET 80 92.443 -2.548 0.529 633 HB3 MET 80 HB1 MET 80 93.075 -0.928 0.821 634 HG2 MET 80 HG2 MET 80 92.693 -0.258 -1.435 635 HG3 MET 80 HG1 MET 80 92.435 -1.921 -1.962 636 HE1 MET 80 HE1 MET 80 90.617 0.192 -2.874 637 HE2 MET 80 HE2 MET 80 90.705 1.250 -1.469 638 HE3 MET 80 HE3 MET 80 89.154 0.574 -1.954 639 H ILE 81 H ILE 81 95.989 -2.486 -2.229 640 HA ILE 81 HA ILE 81 96.582 0.407 -2.440 641 HB ILE 81 HB ILE 81 98.208 -2.057 -3.062 642 HG12 ILE 81 HG12 ILE 81 99.880 -0.820 -1.681 643 HG13 ILE 81 HG13 ILE 81 98.699 0.468 -1.447 644 HG21 ILE 81 HG21 ILE 81 98.570 -0.769 -5.018 645 HG22 ILE 81 HG22 ILE 81 99.901 -0.319 -3.953 646 HG23 ILE 81 HG23 ILE 81 98.511 0.752 -4.129 647 HD11 ILE 81 HD11 ILE 81 97.794 -2.295 -0.793 648 HD12 ILE 81 HD12 ILE 81 97.437 -0.769 0.017 649 HD13 ILE 81 HD13 ILE 81 98.982 -1.572 0.292 650 H PHE 82 H PHE 82 95.451 1.335 -4.019 651 HA PHE 82 HA PHE 82 95.542 0.255 -6.702 652 HB2 PHE 82 HB2 PHE 82 93.547 -0.841 -5.456 653 HB3 PHE 82 HB1 PHE 82 92.793 0.748 -5.574 654 HD1 PHE 82 HD1 PHE 82 94.650 -1.715 -7.714 655 HD2 PHE 82 HD2 PHE 82 91.537 1.237 -7.488 656 HE1 PHE 82 HE1 PHE 82 94.024 -2.196 -10.064 657 HE2 PHE 82 HE2 PHE 82 90.910 0.755 -9.839 658 HZ PHE 82 HZ PHE 82 92.154 -0.962 -11.127 659 H ALA 83 H ALA 83 94.033 1.753 -8.136 660 HA ALA 83 HA ALA 83 94.973 4.446 -7.666 661 HB1 ALA 83 HB1 ALA 83 93.392 3.134 -9.875 662 HB2 ALA 83 HB2 ALA 83 95.041 3.756 -9.932 663 HB3 ALA 83 HB3 ALA 83 93.680 4.875 -9.837 664 H GLY 84 H GLY 84 93.936 5.682 -6.234 665 HA2 GLY 84 HA2 GLY 84 91.308 5.327 -5.317 666 HA3 GLY 84 HA3 GLY 84 92.247 6.809 -5.153 667 H ILE 85 H ILE 85 89.656 7.213 -5.480 668 HA ILE 85 HA ILE 85 88.882 7.398 -8.259 669 HB ILE 85 HB ILE 85 87.640 8.471 -5.721 670 HG12 ILE 85 HG12 ILE 85 87.788 5.900 -6.380 671 HG13 ILE 85 HG13 ILE 85 86.296 6.570 -5.730 672 HG21 ILE 85 HG21 ILE 85 86.840 9.917 -7.407 673 HG22 ILE 85 HG22 ILE 85 85.601 8.666 -7.304 674 HG23 ILE 85 HG23 ILE 85 86.784 8.627 -8.609 675 HD11 ILE 85 HD11 ILE 85 85.260 6.652 -7.844 676 HD12 ILE 85 HD12 ILE 85 86.133 5.120 -7.870 677 HD13 ILE 85 HD13 ILE 85 86.796 6.526 -8.702 678 H LYS 86 H LYS 86 88.319 9.446 -9.303 679 HA LYS 86 HA LYS 86 90.293 11.530 -8.649 680 HB2 LYS 86 HB2 LYS 86 88.880 10.684 -11.155 681 HB3 LYS 86 HB3 LYS 86 89.497 12.329 -11.025 682 HG2 LYS 86 HG2 LYS 86 91.309 10.062 -10.265 683 HG3 LYS 86 HG3 LYS 86 91.031 10.380 -11.976 684 HD2 LYS 86 HD2 LYS 86 91.720 12.728 -11.659 685 HD3 LYS 86 HD3 LYS 86 92.004 12.414 -9.947 686 HE2 LYS 86 HE2 LYS 86 93.793 10.897 -10.427 687 HE3 LYS 86 HE3 LYS 86 93.381 10.852 -12.141 688 HZ1 LYS 86 HZ1 LYS 86 93.949 13.471 -11.009 689 HZ2 LYS 86 HZ2 LYS 86 94.359 12.830 -12.528 690 HZ3 LYS 86 HZ3 LYS 86 95.270 12.417 -11.154 691 H LYS 87 H LYS 87 87.071 11.640 -10.191 692 HA LYS 87 HA LYS 87 86.564 14.233 -9.013 693 HB2 LYS 87 HB2 LYS 87 84.670 12.491 -10.599 694 HB3 LYS 87 HB3 LYS 87 84.548 14.229 -10.327 695 HG2 LYS 87 HG2 LYS 87 86.596 14.618 -11.589 696 HG3 LYS 87 HG3 LYS 87 86.845 12.882 -11.776 697 HD2 LYS 87 HD2 LYS 87 84.635 12.764 -12.975 698 HD3 LYS 87 HD3 LYS 87 84.572 14.525 -12.922 699 HE2 LYS 87 HE2 LYS 87 86.902 13.004 -14.114 700 HE3 LYS 87 HE3 LYS 87 85.519 13.540 -15.068 701 HZ1 LYS 87 HZ1 LYS 87 85.975 15.787 -14.544 702 HZ2 LYS 87 HZ2 LYS 87 87.450 15.098 -15.031 703 HZ3 LYS 87 HZ3 LYS 87 87.135 15.365 -13.382 704 H LYS 88 H LYS 88 84.536 14.714 -7.871 705 HA LYS 88 HA LYS 88 84.212 13.006 -5.601 706 HB2 LYS 88 HB2 LYS 88 83.954 15.521 -5.599 707 HB3 LYS 88 HB3 LYS 88 82.415 15.291 -6.430 708 HG2 LYS 88 HG2 LYS 88 81.753 13.731 -4.528 709 HG3 LYS 88 HG3 LYS 88 83.190 14.296 -3.677 710 HD2 LYS 88 HD2 LYS 88 81.740 15.876 -2.863 711 HD3 LYS 88 HD3 LYS 88 82.115 16.687 -4.383 712 HE2 LYS 88 HE2 LYS 88 79.769 14.819 -3.917 713 HE3 LYS 88 HE3 LYS 88 79.676 16.577 -4.015 714 HZ1 LYS 88 HZ1 LYS 88 79.124 15.711 -6.135 715 HZ2 LYS 88 HZ2 LYS 88 80.481 14.691 -6.157 716 HZ3 LYS 88 HZ3 LYS 88 80.679 16.375 -6.271 717 H THR 89 H THR 89 82.050 13.925 -8.293 718 HA THR 89 HA THR 89 79.847 12.385 -7.615 719 HB THR 89 HB THR 89 79.344 12.313 -10.045 720 HG1 THR 89 HG1 THR 89 81.870 12.349 -10.322 721 HG21 THR 89 HG21 THR 89 79.315 14.790 -10.355 722 HG22 THR 89 HG22 THR 89 80.370 14.947 -8.949 723 HG23 THR 89 HG23 THR 89 78.741 14.296 -8.762 724 H GLU 90 H GLU 90 82.935 11.393 -8.898 725 HA GLU 90 HA GLU 90 82.146 8.804 -9.789 726 HB2 GLU 90 HB2 GLU 90 84.789 10.017 -8.994 727 HB3 GLU 90 HB3 GLU 90 84.651 8.310 -9.409 728 HG2 GLU 90 HG2 GLU 90 83.914 8.804 -11.616 729 HG3 GLU 90 HG3 GLU 90 83.614 10.494 -11.217 730 H ARG 91 H ARG 91 83.224 10.169 -6.737 731 HA ARG 91 HA ARG 91 83.330 7.640 -5.355 732 HB2 ARG 91 HB2 ARG 91 83.211 10.465 -4.256 733 HB3 ARG 91 HB3 ARG 91 83.638 9.015 -3.348 734 HG2 ARG 91 HG2 ARG 91 85.530 8.649 -4.960 735 HG3 ARG 91 HG3 ARG 91 85.159 10.218 -5.672 736 HD2 ARG 91 HD2 ARG 91 85.311 10.539 -2.824 737 HD3 ARG 91 HD3 ARG 91 86.750 9.678 -3.363 738 HE ARG 91 HE ARG 91 86.493 11.745 -5.149 739 HH11 ARG 91 HH21 ARG 91 86.641 11.427 -1.705 740 HH12 ARG 91 HH22 ARG 91 87.390 12.968 -1.457 741 HH21 ARG 91 HH11 ARG 91 87.475 13.767 -4.831 742 HH22 ARG 91 HH12 ARG 91 87.863 14.293 -3.227 743 H GLU 92 H GLU 92 81.111 10.435 -5.367 744 HA GLU 92 HA GLU 92 79.226 9.432 -3.554 745 HB2 GLU 92 HB2 GLU 92 79.364 11.781 -4.554 746 HB3 GLU 92 HB3 GLU 92 78.526 11.120 -5.959 747 HG2 GLU 92 HG2 GLU 92 76.698 10.335 -4.468 748 HG3 GLU 92 HG3 GLU 92 77.520 11.083 -3.100 749 H ASP 93 H ASP 93 79.185 9.286 -7.130 750 HA ASP 93 HA ASP 93 76.882 7.694 -7.364 751 HB2 ASP 93 HB2 ASP 93 79.305 7.903 -9.165 752 HB3 ASP 93 HB1 ASP 93 77.811 7.077 -9.604 753 H LEU 94 H LEU 94 80.313 6.800 -7.147 754 HA LEU 94 HA LEU 94 79.986 4.014 -7.394 755 HB2 LEU 94 HB2 LEU 94 82.191 5.050 -7.563 756 HB3 LEU 94 HB3 LEU 94 82.081 5.591 -5.890 757 HG LEU 94 HG LEU 94 82.037 3.293 -5.096 758 HD11 LEU 94 HD11 LEU 94 81.834 2.726 -8.039 759 HD12 LEU 94 HD12 LEU 94 80.907 2.038 -6.705 760 HD13 LEU 94 HD13 LEU 94 82.575 1.533 -6.972 761 HD21 LEU 94 HD21 LEU 94 84.231 4.462 -5.668 762 HD22 LEU 94 HD22 LEU 94 84.244 3.513 -7.154 763 HD23 LEU 94 HD23 LEU 94 84.298 2.703 -5.590 764 H ILE 95 H ILE 95 79.774 6.196 -4.654 765 HA ILE 95 HA ILE 95 79.584 4.097 -2.723 766 HB ILE 95 HB ILE 95 79.263 7.074 -2.634 767 HG12 ILE 95 HG12 ILE 95 80.988 5.501 -0.781 768 HG13 ILE 95 HG13 ILE 95 81.441 5.461 -2.479 769 HG21 ILE 95 HG21 ILE 95 78.323 5.047 -0.634 770 HG22 ILE 95 HG22 ILE 95 77.616 6.603 -1.059 771 HG23 ILE 95 HG23 ILE 95 79.054 6.538 -0.040 772 HD11 ILE 95 HD11 ILE 95 80.783 8.144 -1.411 773 HD12 ILE 95 HD12 ILE 95 82.078 7.643 -2.494 774 HD13 ILE 95 HD13 ILE 95 82.241 7.402 -0.760 775 H ALA 96 H ALA 96 77.367 5.904 -4.691 776 HA ALA 96 HA ALA 96 74.986 5.356 -3.251 777 HB1 ALA 96 HB1 ALA 96 75.159 7.044 -5.073 778 HB2 ALA 96 HB2 ALA 96 73.835 5.906 -5.329 779 HB3 ALA 96 HB3 ALA 96 75.337 5.730 -6.237 780 H TYR 97 H TYR 97 76.887 3.595 -5.616 781 HA TYR 97 HA TYR 97 74.970 1.470 -5.940 782 HB2 TYR 97 HB2 TYR 97 76.468 1.884 -7.774 783 HB3 TYR 97 HB3 TYR 97 77.879 1.741 -6.724 784 HD1 TYR 97 HD1 TYR 97 74.959 -0.165 -8.062 785 HD2 TYR 97 HD2 TYR 97 78.871 -0.367 -6.301 786 HE1 TYR 97 HE1 TYR 97 75.010 -2.611 -8.458 787 HE2 TYR 97 HE2 TYR 97 78.922 -2.815 -6.698 788 HH TYR 97 HH TYR 97 76.165 -4.485 -8.229 789 H LEU 98 H LEU 98 78.044 1.900 -4.183 790 HA LEU 98 HA LEU 98 78.274 -0.663 -3.112 791 HB2 LEU 98 HB2 LEU 98 79.165 2.050 -2.181 792 HB3 LEU 98 HB3 LEU 98 79.425 0.642 -1.159 793 HG LEU 98 HG LEU 98 80.250 0.521 -4.051 794 HD11 LEU 98 HD11 LEU 98 82.412 1.456 -3.555 795 HD12 LEU 98 HD12 LEU 98 82.008 1.626 -1.848 796 HD13 LEU 98 HD13 LEU 98 81.205 2.633 -3.050 797 HD21 LEU 98 HD21 LEU 98 81.864 -1.067 -3.177 798 HD22 LEU 98 HD22 LEU 98 80.281 -1.476 -2.518 799 HD23 LEU 98 HD23 LEU 98 81.457 -0.624 -1.520 800 H LYS 99 H LYS 99 76.072 1.899 -2.355 801 HA LYS 99 HA LYS 99 75.356 0.900 0.262 802 HB2 LYS 99 HB2 LYS 99 74.346 3.079 -1.540 803 HB3 LYS 99 HB3 LYS 99 73.380 2.566 -0.158 804 HG2 LYS 99 HG2 LYS 99 75.464 2.902 1.272 805 HG3 LYS 99 HG3 LYS 99 76.191 3.690 -0.127 806 HD2 LYS 99 HD2 LYS 99 73.538 4.535 1.066 807 HD3 LYS 99 HD3 LYS 99 75.079 5.266 1.513 808 HE2 LYS 99 HE2 LYS 99 75.431 5.696 -0.989 809 HE3 LYS 99 HE3 LYS 99 73.727 5.287 -1.191 810 HZ1 LYS 99 HZ1 LYS 99 74.938 7.642 -0.033 811 HZ2 LYS 99 HZ2 LYS 99 73.635 7.010 0.854 812 HZ3 LYS 99 HZ3 LYS 99 73.424 7.452 -0.772 813 H LYS 100 H LYS 100 73.702 1.051 -2.900 814 HA LYS 100 HA LYS 100 71.528 -0.603 -1.999 815 HB2 LYS 100 HB2 LYS 100 72.365 0.240 -4.783 816 HB3 LYS 100 HB3 LYS 100 70.854 -0.581 -4.386 817 HG2 LYS 100 HG2 LYS 100 70.112 1.263 -3.035 818 HG3 LYS 100 HG3 LYS 100 71.694 2.038 -3.120 819 HD2 LYS 100 HD2 LYS 100 71.418 2.286 -5.576 820 HD3 LYS 100 HD3 LYS 100 69.809 1.575 -5.451 821 HE2 LYS 100 HE2 LYS 100 69.092 3.398 -3.976 822 HE3 LYS 100 HE3 LYS 100 70.710 4.095 -4.025 823 HZ1 LYS 100 HZ1 LYS 100 69.888 5.258 -5.733 824 HZ2 LYS 100 HZ2 LYS 100 68.600 4.182 -5.997 825 HZ3 LYS 100 HZ3 LYS 100 70.139 3.842 -6.631 826 H ALA 101 H ALA 101 74.671 -1.184 -3.195 827 HA ALA 101 HA ALA 101 74.094 -3.843 -4.225 828 HB1 ALA 101 HB1 ALA 101 76.729 -2.419 -3.796 829 HB2 ALA 101 HB2 ALA 101 75.814 -2.453 -5.303 830 HB3 ALA 101 HB3 ALA 101 76.508 -3.942 -4.658 831 H THR 102 H THR 102 75.392 -2.339 -1.335 832 HA THR 102 HA THR 102 76.188 -4.921 -0.207 833 HB THR 102 HB THR 102 76.959 -3.557 1.709 834 HG1 THR 102 HG1 THR 102 76.705 -1.361 1.645 835 HG21 THR 102 HG21 THR 102 78.628 -3.839 0.082 836 HG22 THR 102 HG22 THR 102 78.575 -2.089 0.294 837 HG23 THR 102 HG23 THR 102 77.784 -2.834 -1.095 838 H ASN 103 H ASN 103 73.452 -2.981 -0.414 839 HA ASN 103 HA ASN 103 72.327 -3.658 2.174 840 HB2 ASN 103 HB2 ASN 103 71.421 -2.123 -0.234 841 HB3 ASN 103 HB1 ASN 103 70.233 -2.651 0.950 842 HD21 ASN 103 HD21 ASN 103 73.493 -1.919 2.013 843 HD22 ASN 103 HD22 ASN 103 73.107 -0.468 2.803 844 H GLU 104 H GLU 104 72.315 -4.910 -1.069 845 HA GLU 104 HA GLU 104 70.571 -7.119 -0.172 846 HB2 GLU 104 HB2 GLU 104 69.342 -7.110 -2.220 847 HB3 GLU 104 HB3 GLU 104 69.327 -5.452 -1.621 848 HG2 GLU 104 HG2 GLU 104 71.429 -5.108 -3.086 849 HG3 GLU 104 HG3 GLU 104 70.964 -6.615 -3.873 850 HHA HEC 201 HA HEC 105 89.258 -3.558 3.263 851 HHB HEC 201 HB HEC 105 85.558 0.065 -0.366 852 HHC HEC 201 HC HEC 105 88.855 -1.704 -5.467 853 HHD HEC 201 HD HEC 105 92.178 -5.740 -1.907 854 HMA1 HEC 201 HMA1 HEC 105 85.032 -0.509 3.310 855 HMA2 HEC 201 HMA2 HEC 105 84.592 -0.194 1.635 856 HMA3 HEC 201 HMA3 HEC 105 85.745 0.859 2.454 857 HAA1 HEC 201 HAA1 HEC 105 86.792 -1.017 4.562 858 HAA2 HEC 201 HAA2 HEC 105 88.315 -1.885 4.530 859 HBA1 HEC 201 HBA1 HEC 105 87.228 -3.995 4.489 860 HBA2 HEC 201 HBA2 HEC 105 85.665 -3.268 4.129 861 HMB1 HEC 201 HMB1 HEC 105 85.213 1.647 -2.229 862 HMB2 HEC 201 HMB2 HEC 105 84.171 0.273 -2.593 863 HMB3 HEC 201 HMB3 HEC 105 84.846 1.236 -3.902 864 HAB HEC 201 HAB HEC 105 87.365 -0.498 -6.129 865 HBB1 HEC 201 HBB1 HEC 105 86.716 2.060 -4.723 866 HBB2 HEC 201 HBB2 HEC 105 87.955 1.726 -5.930 867 HBB3 HEC 201 HBB3 HEC 105 86.273 1.911 -6.423 868 HMC1 HEC 201 HMC1 HEC 105 91.326 -2.483 -6.560 869 HMC2 HEC 201 HMC2 HEC 105 89.799 -3.324 -6.818 870 HMC3 HEC 201 HMC3 HEC 105 91.311 -4.226 -6.821 871 HAC HEC 201 HAC HEC 105 92.641 -6.140 -3.836 872 HBC1 HEC 201 HBC1 HEC 105 93.286 -3.944 -5.681 873 HBC2 HEC 201 HBC2 HEC 105 93.589 -5.538 -6.370 874 HBC3 HEC 201 HBC3 HEC 105 94.363 -5.071 -4.858 875 HMD1 HEC 201 HMD1 HEC 105 93.118 -6.656 1.631 876 HMD2 HEC 201 HMD2 HEC 105 93.423 -6.256 -0.057 877 HMD3 HEC 201 HMD3 HEC 105 92.238 -7.496 0.355 878 HAD1 HEC 201 HAD1 HEC 105 91.601 -6.467 3.245 879 HAD2 HEC 201 HAD2 HEC 105 90.311 -5.417 3.785 880 HBD1 HEC 201 HBD1 HEC 105 92.560 -3.743 3.278 881 HBD2 HEC 201 HBD2 HEC 105 93.146 -5.134 4.184 882 H1 HOH 301 H2 HOH 200 81.617 3.403 -0.850 883 H2 HOH 301 H1 HOH 200 80.604 2.303 -0.612 884 H1 HOH 302 H2 HOH 201 86.608 6.936 7.436 885 H2 HOH 302 H1 HOH 201 86.404 6.702 5.953 886 H1 HOH 303 H2 HOH 202 81.715 -6.524 5.996 887 H2 HOH 303 H1 HOH 202 83.054 -6.384 5.299 888 H1 HOH 304 H2 HOH 203 84.541 -10.013 0.397 889 H2 HOH 304 H1 HOH 203 83.211 -10.737 0.469 Start of MODEL 30 1 H1 GLY 1 H1 GLY 1 74.050 11.803 -7.033 2 H2 GLY 1 H2 GLY 1 73.071 11.179 -5.793 3 H3 GLY 1 H3 GLY 1 72.578 11.052 -7.414 4 HA2 GLY 1 HA2 GLY 1 75.151 9.892 -7.025 5 HA3 GLY 1 HA3 GLY 1 73.938 9.161 -5.973 6 H ASP 2 H ASP 2 75.379 8.463 -8.662 7 HA ASP 2 HA ASP 2 72.938 7.641 -10.132 8 HB2 ASP 2 HB2 ASP 2 75.724 8.233 -11.145 9 HB3 ASP 2 HB1 ASP 2 74.454 7.494 -12.120 10 H VAL 3 H VAL 3 72.764 5.754 -8.809 11 HA VAL 3 HA VAL 3 74.690 3.856 -8.282 12 HB VAL 3 HB VAL 3 72.478 3.640 -7.352 13 HG11 VAL 3 HG11 VAL 3 71.083 4.590 -9.032 14 HG12 VAL 3 HG12 VAL 3 70.601 2.896 -8.938 15 HG13 VAL 3 HG13 VAL 3 71.641 3.445 -10.252 16 HG21 VAL 3 HG21 VAL 3 73.878 1.555 -8.002 17 HG22 VAL 3 HG22 VAL 3 72.692 1.331 -9.288 18 HG23 VAL 3 HG23 VAL 3 72.182 1.307 -7.601 19 H GLU 4 H GLU 4 73.425 4.800 -11.320 20 HA GLU 4 HA GLU 4 73.912 2.338 -12.715 21 HB2 GLU 4 HB2 GLU 4 73.591 5.162 -13.758 22 HB3 GLU 4 HB3 GLU 4 73.588 3.702 -14.748 23 HG2 GLU 4 HG2 GLU 4 71.653 2.858 -13.392 24 HG3 GLU 4 HG3 GLU 4 71.608 4.416 -12.569 25 H LYS 5 H LYS 5 75.575 5.504 -12.811 26 HA LYS 5 HA LYS 5 77.855 4.409 -14.168 27 HB2 LYS 5 HB2 LYS 5 77.311 7.055 -12.814 28 HB3 LYS 5 HB3 LYS 5 78.881 6.666 -13.516 29 HG2 LYS 5 HG2 LYS 5 77.950 6.413 -15.702 30 HG3 LYS 5 HG3 LYS 5 76.302 6.427 -15.077 31 HD2 LYS 5 HD2 LYS 5 78.186 8.776 -14.764 32 HD3 LYS 5 HD3 LYS 5 77.102 8.605 -16.144 33 HE2 LYS 5 HE2 LYS 5 75.281 8.233 -14.235 34 HE3 LYS 5 HE3 LYS 5 76.442 9.146 -13.274 35 HZ1 LYS 5 HZ1 LYS 5 74.643 10.387 -14.623 36 HZ2 LYS 5 HZ2 LYS 5 75.678 10.112 -15.943 37 HZ3 LYS 5 HZ3 LYS 5 76.228 10.992 -14.598 38 H GLY 6 H GLY 6 76.816 4.583 -10.915 39 HA2 GLY 6 HA2 GLY 6 79.401 4.455 -9.667 40 HA3 GLY 6 HA3 GLY 6 77.854 4.078 -8.905 41 H LYS 7 H LYS 7 77.024 2.207 -10.904 42 HA LYS 7 HA LYS 7 78.194 -0.175 -9.870 43 HB2 LYS 7 HB2 LYS 7 75.838 -0.001 -10.683 44 HB3 LYS 7 HB3 LYS 7 76.456 0.160 -12.326 45 HG2 LYS 7 HG2 LYS 7 77.630 -2.035 -12.046 46 HG3 LYS 7 HG3 LYS 7 76.862 -2.203 -10.471 47 HD2 LYS 7 HD2 LYS 7 75.367 -3.374 -11.821 48 HD3 LYS 7 HD3 LYS 7 74.642 -1.767 -11.828 49 HE2 LYS 7 HE2 LYS 7 75.691 -1.256 -13.970 50 HE3 LYS 7 HE3 LYS 7 76.559 -2.791 -13.946 51 HZ1 LYS 7 HZ1 LYS 7 74.663 -3.978 -14.358 52 HZ2 LYS 7 HZ2 LYS 7 74.336 -2.564 -15.242 53 HZ3 LYS 7 HZ3 LYS 7 73.632 -2.796 -13.713 54 H LYS 8 H LYS 8 78.467 1.602 -12.938 55 HA LYS 8 HA LYS 8 80.084 -0.236 -14.313 56 HB2 LYS 8 HB2 LYS 8 79.050 1.645 -15.447 57 HB3 LYS 8 HB3 LYS 8 79.998 2.783 -14.491 58 HG2 LYS 8 HG2 LYS 8 81.599 0.730 -15.906 59 HG3 LYS 8 HG3 LYS 8 80.746 1.851 -16.964 60 HD2 LYS 8 HD2 LYS 8 82.304 2.912 -14.615 61 HD3 LYS 8 HD3 LYS 8 83.145 2.475 -16.101 62 HE2 LYS 8 HE2 LYS 8 80.718 4.272 -16.135 63 HE3 LYS 8 HE3 LYS 8 82.341 4.915 -15.886 64 HZ1 LYS 8 HZ1 LYS 8 81.133 4.259 -18.295 65 HZ2 LYS 8 HZ2 LYS 8 82.358 3.108 -18.048 66 HZ3 LYS 8 HZ3 LYS 8 82.732 4.766 -18.044 67 H ILE 9 H ILE 9 80.976 2.496 -12.224 68 HA ILE 9 HA ILE 9 83.782 2.156 -12.490 69 HB ILE 9 HB ILE 9 82.194 3.454 -10.265 70 HG12 ILE 9 HG12 ILE 9 83.584 4.812 -12.581 71 HG13 ILE 9 HG13 ILE 9 81.907 4.280 -12.701 72 HG21 ILE 9 HG21 ILE 9 84.353 4.730 -9.966 73 HG22 ILE 9 HG22 ILE 9 85.112 3.585 -11.072 74 HG23 ILE 9 HG23 ILE 9 84.454 3.022 -9.536 75 HD11 ILE 9 HD11 ILE 9 82.964 6.105 -10.523 76 HD12 ILE 9 HD12 ILE 9 81.281 5.656 -10.795 77 HD13 ILE 9 HD13 ILE 9 82.125 6.665 -11.970 78 H PHE 10 H PHE 10 81.374 0.571 -10.583 79 HA PHE 10 HA PHE 10 83.221 -0.436 -8.599 80 HB2 PHE 10 HB2 PHE 10 81.097 -0.261 -7.696 81 HB3 PHE 10 HB1 PHE 10 80.308 -0.773 -9.187 82 HD1 PHE 10 HD1 PHE 10 80.207 -3.154 -9.809 83 HD2 PHE 10 HD2 PHE 10 81.948 -1.881 -6.101 84 HE1 PHE 10 HE1 PHE 10 80.138 -5.487 -8.984 85 HE2 PHE 10 HE2 PHE 10 81.884 -4.217 -5.270 86 HZ PHE 10 HZ PHE 10 80.978 -6.023 -6.716 87 H VAL 11 H VAL 11 81.343 -1.935 -11.249 88 HA VAL 11 HA VAL 11 82.287 -4.532 -10.997 89 HB VAL 11 HB VAL 11 81.747 -4.788 -13.409 90 HG11 VAL 11 HG11 VAL 11 80.025 -4.734 -11.513 91 HG12 VAL 11 HG12 VAL 11 79.413 -4.436 -13.139 92 HG13 VAL 11 HG13 VAL 11 79.668 -3.089 -12.033 93 HG21 VAL 11 HG21 VAL 11 82.560 -2.580 -14.151 94 HG22 VAL 11 HG22 VAL 11 81.277 -1.802 -13.225 95 HG23 VAL 11 HG23 VAL 11 80.872 -2.812 -14.611 96 H GLN 12 H GLN 12 83.800 -1.743 -12.471 97 HA GLN 12 HA GLN 12 85.963 -3.414 -13.535 98 HB2 GLN 12 HB2 GLN 12 86.690 -1.456 -14.705 99 HB3 GLN 12 HB1 GLN 12 84.941 -1.594 -14.894 100 HG2 GLN 12 HG2 GLN 12 84.703 -0.021 -12.920 101 HG3 GLN 12 HG1 GLN 12 86.445 0.245 -13.019 102 HE21 GLN 12 HE21 GLN 12 85.647 -0.316 -16.145 103 HE22 GLN 12 HE22 GLN 12 85.304 1.262 -16.655 104 H LYS 13 H LYS 13 85.371 -1.213 -10.870 105 HA LYS 13 HA LYS 13 88.261 -1.091 -10.331 106 HB2 LYS 13 HB2 LYS 13 86.713 0.967 -10.368 107 HB3 LYS 13 HB3 LYS 13 86.185 0.418 -8.778 108 HG2 LYS 13 HG2 LYS 13 88.430 0.546 -7.909 109 HG3 LYS 13 HG3 LYS 13 89.097 0.829 -9.515 110 HD2 LYS 13 HD2 LYS 13 87.014 2.731 -8.504 111 HD3 LYS 13 HD3 LYS 13 88.645 2.856 -7.846 112 HE2 LYS 13 HE2 LYS 13 89.577 3.121 -10.080 113 HE3 LYS 13 HE3 LYS 13 87.992 2.858 -10.807 114 HZ1 LYS 13 HZ1 LYS 13 88.642 5.230 -10.599 115 HZ2 LYS 13 HZ2 LYS 13 88.593 5.058 -8.910 116 HZ3 LYS 13 HZ3 LYS 13 87.180 4.850 -9.830 117 H CYS 14 H CYS 14 85.370 -1.433 -8.205 118 HA CYS 14 HA CYS 14 87.025 -2.686 -6.196 119 HB2 CYS 14 HB2 CYS 14 84.050 -2.558 -6.006 120 HB3 CYS 14 HB1 CYS 14 85.248 -2.419 -4.727 121 H ALA 15 H ALA 15 84.504 -3.866 -8.393 122 HA ALA 15 HA ALA 15 83.963 -6.317 -7.277 123 HB1 ALA 15 HB1 ALA 15 82.757 -5.840 -9.216 124 HB2 ALA 15 HB2 ALA 15 83.846 -7.119 -9.749 125 HB3 ALA 15 HB3 ALA 15 84.207 -5.436 -10.134 126 H GLN 16 H GLN 16 86.918 -5.257 -8.768 127 HA GLN 16 HA GLN 16 88.177 -7.563 -9.533 128 HB2 GLN 16 HB2 GLN 16 89.351 -5.236 -8.008 129 HB3 GLN 16 HB1 GLN 16 90.302 -6.471 -8.829 130 HG2 GLN 16 HG2 GLN 16 88.991 -5.891 -10.939 131 HG3 GLN 16 HG1 GLN 16 88.389 -4.483 -10.067 132 HE21 GLN 16 HE21 GLN 16 89.644 -2.639 -10.341 133 HE22 GLN 16 HE22 GLN 16 91.297 -2.636 -10.730 134 H CYS 17 H CYS 17 88.557 -6.201 -6.231 135 HA CYS 17 HA CYS 17 88.942 -8.978 -5.264 136 HB2 CYS 17 HB2 CYS 17 90.081 -6.785 -3.639 137 HB3 CYS 17 HB1 CYS 17 90.759 -8.356 -4.047 138 H HIS 18 H HSD 18 86.348 -8.085 -5.332 139 HA HIS 18 HA HSD 18 85.702 -8.085 -2.504 140 HB2 HIS 18 HB2 HSD 18 85.113 -5.707 -4.257 141 HB3 HIS 18 HB1 HSD 18 84.118 -6.081 -2.850 142 HD1 HIS 18 HD1 HSD 18 86.534 -7.138 -1.053 143 HD2 HIS 18 HD2 HSD 18 86.431 -3.508 -3.098 144 HE1 HIS 18 HE1 HSD 18 88.169 -5.601 0.127 145 H THR 19 H THR 19 83.131 -7.725 -2.376 146 HA THR 19 HA THR 19 81.830 -9.195 -4.575 147 HB THR 19 HB THR 19 80.728 -10.135 -2.119 148 HG1 THR 19 HG1 THR 19 83.048 -11.215 -1.800 149 HG21 THR 19 HG21 THR 19 82.460 -11.413 -4.247 150 HG22 THR 19 HG22 THR 19 80.699 -11.421 -4.161 151 HG23 THR 19 HG23 THR 19 81.643 -12.317 -2.973 152 H VAL 20 H VAL 20 81.542 -7.262 -1.646 153 HA VAL 20 HA VAL 20 79.831 -5.962 -0.819 154 HB VAL 20 HB VAL 20 79.140 -4.217 -2.343 155 HG11 VAL 20 HG11 VAL 20 81.486 -4.221 -1.529 156 HG12 VAL 20 HG12 VAL 20 81.344 -3.483 -3.122 157 HG13 VAL 20 HG13 VAL 20 81.968 -5.123 -2.964 158 HG21 VAL 20 HG21 VAL 20 79.443 -4.344 -4.708 159 HG22 VAL 20 HG22 VAL 20 78.656 -5.851 -4.247 160 HG23 VAL 20 HG23 VAL 20 80.386 -5.823 -4.576 161 H GLU 21 H GLU 21 78.964 -8.651 -1.543 162 HA GLU 21 HA GLU 21 76.110 -8.039 -1.999 163 HB2 GLU 21 HB2 GLU 21 75.822 -9.841 -3.488 164 HB3 GLU 21 HB3 GLU 21 77.309 -9.064 -4.030 165 HG2 GLU 21 HG2 GLU 21 78.509 -10.746 -2.460 166 HG3 GLU 21 HG3 GLU 21 76.984 -11.630 -2.488 167 H LYS 22 H LYS 22 74.940 -8.653 -0.327 168 HA LYS 22 HA LYS 22 75.846 -9.963 1.929 169 HB2 LYS 22 HB2 LYS 22 73.654 -8.675 1.570 170 HB3 LYS 22 HB3 LYS 22 72.998 -10.194 0.963 171 HG2 LYS 22 HG2 LYS 22 72.453 -10.410 3.203 172 HG3 LYS 22 HG3 LYS 22 74.053 -11.149 3.219 173 HD2 LYS 22 HD2 LYS 22 74.996 -8.864 3.780 174 HD3 LYS 22 HD3 LYS 22 73.336 -8.308 3.989 175 HE2 LYS 22 HE2 LYS 22 74.879 -10.301 5.627 176 HE3 LYS 22 HE3 LYS 22 73.913 -8.929 6.170 177 HZ1 LYS 22 HZ1 LYS 22 72.660 -10.854 6.623 178 HZ2 LYS 22 HZ2 LYS 22 72.952 -11.513 5.084 179 HZ3 LYS 22 HZ3 LYS 22 71.944 -10.156 5.253 180 H GLY 23 H GLY 23 75.764 -12.061 2.702 181 HA2 GLY 23 HA2 GLY 23 76.007 -14.345 2.565 182 HA3 GLY 23 HA3 GLY 23 74.561 -14.284 1.563 183 H GLY 24 H GLY 24 77.538 -12.675 0.651 184 HA2 GLY 24 HA2 GLY 24 77.668 -14.309 -1.768 185 HA3 GLY 24 HA3 GLY 24 78.577 -12.837 -1.448 186 H LYS 25 H LYS 25 80.606 -13.544 -1.853 187 HA LYS 25 HA LYS 25 81.805 -15.305 0.135 188 HB2 LYS 25 HB2 LYS 25 82.994 -16.501 -1.883 189 HB3 LYS 25 HB3 LYS 25 81.397 -17.040 -1.360 190 HG2 LYS 25 HG2 LYS 25 80.310 -15.853 -3.125 191 HG3 LYS 25 HG3 LYS 25 81.778 -14.957 -3.519 192 HD2 LYS 25 HD2 LYS 25 82.836 -16.878 -4.432 193 HD3 LYS 25 HD3 LYS 25 81.659 -17.970 -3.703 194 HE2 LYS 25 HE2 LYS 25 80.842 -15.879 -5.725 195 HE3 LYS 25 HE3 LYS 25 81.389 -17.481 -6.216 196 HZ1 LYS 25 HZ1 LYS 25 79.399 -17.429 -4.110 197 HZ2 LYS 25 HZ2 LYS 25 79.527 -18.450 -5.462 198 HZ3 LYS 25 HZ3 LYS 25 78.859 -16.896 -5.627 199 H HIS 26 H HIS 26 83.245 -13.851 0.870 200 HA HIS 26 HA HIS 26 84.454 -11.789 -0.559 201 HB2 HIS 26 HB2 HIS 26 86.351 -12.549 1.370 202 HB3 HIS 26 HB1 HIS 26 85.079 -11.346 1.558 203 HD1 HIS 26 HD1 HIS 26 85.431 -15.142 1.849 204 HD2 HIS 26 HD2 HIS 26 83.304 -11.991 3.561 205 HE1 HIS 26 HE1 HIS 26 84.049 -16.143 3.720 206 HE2 HIS 26 HE2 HIS 26 82.748 -14.235 4.775 207 H LYS 27 H LYS 27 85.896 -11.759 -2.135 208 HA LYS 27 HA LYS 27 87.701 -14.086 -2.474 209 HB2 LYS 27 HB2 LYS 27 86.059 -14.067 -4.261 210 HB3 LYS 27 HB3 LYS 27 86.383 -12.364 -4.588 211 HG2 LYS 27 HG2 LYS 27 88.588 -12.832 -5.375 212 HG3 LYS 27 HG3 LYS 27 88.538 -14.479 -4.745 213 HD2 LYS 27 HD2 LYS 27 88.179 -14.350 -7.227 214 HD3 LYS 27 HD3 LYS 27 86.841 -15.107 -6.363 215 HE2 LYS 27 HE2 LYS 27 85.463 -13.209 -6.584 216 HE3 LYS 27 HE3 LYS 27 86.826 -12.146 -6.932 217 HZ1 LYS 27 HZ1 LYS 27 85.212 -13.485 -8.751 218 HZ2 LYS 27 HZ2 LYS 27 86.739 -14.226 -8.830 219 HZ3 LYS 27 HZ3 LYS 27 86.590 -12.553 -9.080 220 H THR 28 H THR 28 89.746 -13.550 -2.080 221 HA THR 28 HA THR 28 91.670 -12.311 -1.847 222 HB THR 28 HB THR 28 90.723 -10.662 -4.182 223 HG1 THR 28 HG1 THR 28 91.294 -12.341 -5.509 224 HG21 THR 28 HG21 THR 28 93.446 -11.864 -3.815 225 HG22 THR 28 HG22 THR 28 93.004 -10.452 -2.857 226 HG23 THR 28 HG23 THR 28 92.989 -10.362 -4.618 227 H GLY 29 H GLY 29 89.179 -11.402 -0.516 228 HA2 GLY 29 HA2 GLY 29 90.067 -9.173 0.820 229 HA3 GLY 29 HA3 GLY 29 89.151 -8.534 -0.542 230 HA PRO 30 HA PRO 30 86.347 -10.063 3.019 231 HB2 PRO 30 HB2 PRO 30 85.965 -7.755 4.426 232 HB3 PRO 30 HB1 PRO 30 87.279 -8.894 4.783 233 HG2 PRO 30 HG2 PRO 30 87.361 -6.332 3.259 234 HG3 PRO 30 HG1 PRO 30 88.519 -6.986 4.431 235 HD2 PRO 30 HD2 PRO 30 88.901 -7.133 1.720 236 HD3 PRO 30 HD1 PRO 30 89.559 -8.327 2.861 237 H ASN 31 H ASN 31 84.085 -9.242 3.453 238 HA ASN 31 HA ASN 31 82.975 -8.116 0.992 239 HB2 ASN 31 HB2 ASN 31 80.883 -8.934 1.743 240 HB3 ASN 31 HB1 ASN 31 82.047 -10.169 2.218 241 HD21 ASN 31 HD21 ASN 31 81.939 -10.800 4.375 242 HD22 ASN 31 HD22 ASN 31 81.237 -9.886 5.619 243 H LEU 32 H LEU 32 81.160 -6.494 1.255 244 HA LEU 32 HA LEU 32 81.831 -4.525 3.368 245 HB2 LEU 32 HB2 LEU 32 80.710 -3.846 0.648 246 HB3 LEU 32 HB3 LEU 32 81.360 -2.740 1.850 247 HG LEU 32 HG LEU 32 82.889 -4.767 0.197 248 HD11 LEU 32 HD11 LEU 32 82.158 -2.300 -0.522 249 HD12 LEU 32 HD12 LEU 32 83.745 -2.940 -0.941 250 HD13 LEU 32 HD13 LEU 32 83.566 -1.859 0.441 251 HD21 LEU 32 HD21 LEU 32 84.839 -3.458 1.492 252 HD22 LEU 32 HD22 LEU 32 84.123 -4.925 2.146 253 HD23 LEU 32 HD23 LEU 32 83.599 -3.353 2.736 254 H HIS 33 H HIS 33 79.893 -6.607 3.668 255 HA HIS 33 HA HIS 33 77.258 -5.762 3.087 256 HB2 HIS 33 HB2 HIS 33 78.225 -7.502 5.370 257 HB3 HIS 33 HB1 HIS 33 76.566 -7.393 4.782 258 HD1 HIS 33 HD1 HIS 33 78.251 -10.057 4.686 259 HD2 HIS 33 HD2 HIS 33 77.781 -7.412 1.498 260 HE1 HIS 33 HE1 HIS 33 78.680 -11.392 2.578 261 HE2 HIS 33 HE2 HIS 33 78.397 -9.795 0.625 262 H GLY 34 H GLY 34 75.777 -4.554 4.239 263 HA2 GLY 34 HA2 GLY 34 75.258 -2.640 5.479 264 HA3 GLY 34 HA3 GLY 34 75.624 -3.749 6.799 265 H LEU 35 H LEU 35 78.010 -2.690 4.491 266 HA LEU 35 HA LEU 35 80.026 -2.058 6.210 267 HB2 LEU 35 HB2 LEU 35 80.329 -2.144 3.800 268 HB3 LEU 35 HB3 LEU 35 79.322 -0.716 3.592 269 HG LEU 35 HG LEU 35 81.113 0.352 5.267 270 HD11 LEU 35 HD11 LEU 35 83.265 -0.580 5.158 271 HD12 LEU 35 HD12 LEU 35 82.866 -1.563 3.754 272 HD13 LEU 35 HD13 LEU 35 82.233 -1.997 5.340 273 HD21 LEU 35 HD21 LEU 35 80.567 0.987 2.864 274 HD22 LEU 35 HD22 LEU 35 81.846 -0.121 2.371 275 HD23 LEU 35 HD23 LEU 35 82.232 1.284 3.364 276 H PHE 36 H PHE 36 77.804 0.346 4.807 277 HA PHE 36 HA PHE 36 78.693 2.542 6.274 278 HB2 PHE 36 HB2 PHE 36 75.832 2.112 5.394 279 HB3 PHE 36 HB1 PHE 36 76.679 3.645 5.604 280 HD1 PHE 36 HD2 PHE 36 76.593 0.520 3.570 281 HD2 PHE 36 HD1 PHE 36 78.036 4.560 3.858 282 HE1 PHE 36 HE2 PHE 36 77.403 0.401 1.233 283 HE2 PHE 36 HE1 PHE 36 78.833 4.440 1.523 284 HZ PHE 36 HZ PHE 36 78.521 2.362 0.206 285 H GLY 37 H GLY 37 79.057 1.980 8.443 286 HA2 GLY 37 HA2 GLY 37 77.571 2.729 10.440 287 HA3 GLY 37 HA3 GLY 37 76.695 1.258 10.051 288 H ARG 38 H ARG 38 79.272 -0.124 9.309 289 HA ARG 38 HA ARG 38 79.916 -0.983 12.023 290 HB2 ARG 38 HB2 ARG 38 80.227 -2.088 9.294 291 HB3 ARG 38 HB3 ARG 38 81.502 -2.511 10.435 292 HG2 ARG 38 HG2 ARG 38 79.610 -3.154 12.060 293 HG3 ARG 38 HG3 ARG 38 78.540 -3.069 10.660 294 HD2 ARG 38 HD2 ARG 38 81.067 -4.661 10.419 295 HD3 ARG 38 HD3 ARG 38 79.733 -5.349 11.336 296 HE ARG 38 HE ARG 38 78.464 -4.646 9.097 297 HH11 ARG 38 HH21 ARG 38 81.549 -6.170 9.570 298 HH12 ARG 38 HH22 ARG 38 81.484 -7.057 8.086 299 HH21 ARG 38 HH11 ARG 38 78.382 -5.826 7.164 300 HH22 ARG 38 HH12 ARG 38 79.695 -6.870 6.732 301 H LYS 39 H LYS 39 81.934 -0.948 12.973 302 HA LYS 39 HA LYS 39 83.614 1.258 12.352 303 HB2 LYS 39 HB2 LYS 39 83.566 -0.916 14.367 304 HB3 LYS 39 HB3 LYS 39 85.141 -0.190 14.050 305 HG2 LYS 39 HG2 LYS 39 82.749 1.583 14.500 306 HG3 LYS 39 HG3 LYS 39 83.576 0.866 15.881 307 HD2 LYS 39 HD2 LYS 39 85.730 1.823 15.037 308 HD3 LYS 39 HD3 LYS 39 84.829 2.628 13.754 309 HE2 LYS 39 HE2 LYS 39 83.608 3.962 15.319 310 HE3 LYS 39 HE3 LYS 39 84.172 2.996 16.682 311 HZ1 LYS 39 HZ1 LYS 39 86.184 3.994 16.682 312 HZ2 LYS 39 HZ2 LYS 39 85.304 5.272 15.987 313 HZ3 LYS 39 HZ3 LYS 39 86.210 4.225 15.002 314 H THR 40 H THR 40 86.072 0.928 12.186 315 HA THR 40 HA THR 40 86.622 -0.404 9.740 316 HB THR 40 HB THR 40 89.039 0.169 10.374 317 HG1 THR 40 HG1 THR 40 87.697 1.630 12.389 318 HG21 THR 40 HG21 THR 40 88.426 2.714 10.255 319 HG22 THR 40 HG22 THR 40 86.778 2.119 10.049 320 HG23 THR 40 HG23 THR 40 88.029 1.667 8.891 321 H GLY 41 H GLY 41 87.852 -2.212 9.297 322 HA2 GLY 41 HA2 GLY 41 88.384 -4.433 9.593 323 HA3 GLY 41 HA3 GLY 41 89.348 -3.811 10.930 324 H GLN 42 H GLN 42 85.840 -4.145 10.399 325 HA GLN 42 HA GLN 42 85.653 -5.448 13.047 326 HB2 GLN 42 HB2 GLN 42 84.296 -3.407 12.744 327 HB3 GLN 42 HB1 GLN 42 83.475 -4.166 11.378 328 HG2 GLN 42 HG2 GLN 42 82.458 -5.805 12.753 329 HG3 GLN 42 HG1 GLN 42 83.556 -5.483 14.093 330 HE21 GLN 42 HE21 GLN 42 82.140 -2.806 12.285 331 HE22 GLN 42 HE22 GLN 42 81.090 -2.296 13.519 332 H ALA 43 H ALA 43 85.356 -5.985 9.674 333 HA ALA 43 HA ALA 43 83.591 -8.252 9.854 334 HB1 ALA 43 HB1 ALA 43 84.787 -8.514 7.428 335 HB2 ALA 43 HB2 ALA 43 85.050 -6.797 7.734 336 HB3 ALA 43 HB3 ALA 43 83.413 -7.450 7.731 337 HA PRO 44 HA PRO 44 87.018 -10.923 11.029 338 HB2 PRO 44 HB2 PRO 44 85.605 -13.203 11.407 339 HB3 PRO 44 HB1 PRO 44 85.526 -11.845 12.547 340 HG2 PRO 44 HG2 PRO 44 83.600 -12.637 10.413 341 HG3 PRO 44 HG1 PRO 44 83.286 -12.050 12.056 342 HD2 PRO 44 HD2 PRO 44 83.144 -10.457 9.803 343 HD3 PRO 44 HD1 PRO 44 83.466 -9.838 11.439 344 H GLY 45 H GLY 45 85.151 -11.026 8.226 345 HA2 GLY 45 HA2 GLY 45 85.682 -13.425 6.978 346 HA3 GLY 45 HA3 GLY 45 85.569 -11.888 6.129 347 H PHE 46 H PHE 46 87.603 -10.508 6.262 348 HA PHE 46 HA PHE 46 89.905 -12.230 5.646 349 HB2 PHE 46 HB2 PHE 46 89.048 -10.444 4.042 350 HB3 PHE 46 HB1 PHE 46 89.673 -9.256 5.184 351 HD1 PHE 46 HD2 PHE 46 90.586 -12.044 2.921 352 HD2 PHE 46 HD1 PHE 46 92.040 -8.884 5.444 353 HE1 PHE 46 HE2 PHE 46 92.862 -12.341 1.982 354 HE2 PHE 46 HE1 PHE 46 94.316 -9.182 4.503 355 HZ PHE 46 HZ PHE 46 94.727 -10.910 2.772 356 H THR 47 H THR 47 92.008 -11.730 6.445 357 HA THR 47 HA THR 47 92.050 -11.040 9.223 358 HB THR 47 HB THR 47 94.449 -11.295 7.408 359 HG1 THR 47 HG1 THR 47 92.679 -13.210 8.439 360 HG21 THR 47 HG21 THR 47 95.605 -11.902 9.400 361 HG22 THR 47 HG22 THR 47 94.100 -12.111 10.295 362 HG23 THR 47 HG23 THR 47 94.632 -10.495 9.831 363 H TYR 48 H TYR 48 91.222 -8.904 9.235 364 HA TYR 48 HA TYR 48 92.266 -6.743 7.780 365 HB2 TYR 48 HB2 TYR 48 90.702 -7.009 10.320 366 HB3 TYR 48 HB3 TYR 48 91.336 -5.430 9.862 367 HD1 TYR 48 HD2 TYR 48 90.637 -4.341 7.779 368 HD2 TYR 48 HD1 TYR 48 88.951 -8.085 9.029 369 HE1 TYR 48 HE2 TYR 48 88.790 -4.047 6.158 370 HE2 TYR 48 HE1 TYR 48 87.101 -7.795 7.403 371 HH TYR 48 HH TYR 48 86.430 -4.857 5.912 372 H THR 49 H THR 49 93.650 -5.046 8.388 373 HA THR 49 HA THR 49 95.973 -5.938 9.879 374 HB THR 49 HB THR 49 96.989 -3.857 9.117 375 HG1 THR 49 HG1 THR 49 95.501 -2.330 9.160 376 HG21 THR 49 HG21 THR 49 95.329 -4.815 6.797 377 HG22 THR 49 HG22 THR 49 96.516 -5.884 7.545 378 HG23 THR 49 HG23 THR 49 97.032 -4.360 6.825 379 H ASP 50 H ASP 50 96.963 -4.603 11.565 380 HA ASP 50 HA ASP 50 95.293 -4.133 13.739 381 HB2 ASP 50 HB2 ASP 50 97.904 -2.689 13.292 382 HB3 ASP 50 HB1 ASP 50 97.176 -3.168 14.825 383 H ALA 51 H ALA 51 96.497 -1.878 11.291 384 HA ALA 51 HA ALA 51 95.606 0.525 12.395 385 HB1 ALA 51 HB1 ALA 51 95.886 -0.362 9.522 386 HB2 ALA 51 HB2 ALA 51 97.024 0.588 10.477 387 HB3 ALA 51 HB3 ALA 51 95.484 1.292 9.984 388 H ASN 52 H ASN 52 93.872 -1.837 10.398 389 HA ASN 52 HA ASN 52 91.448 -0.250 10.368 390 HB2 ASN 52 HB2 ASN 52 92.345 -2.859 9.238 391 HB3 ASN 52 HB1 ASN 52 90.616 -2.655 9.503 392 HD21 ASN 52 HD21 ASN 52 90.186 -2.549 7.187 393 HD22 ASN 52 HD22 ASN 52 90.615 -1.180 6.277 394 H LYS 53 H LYS 53 92.866 -2.747 12.303 395 HA LYS 53 HA LYS 53 90.379 -3.427 13.650 396 HB2 LYS 53 HB2 LYS 53 91.594 -5.335 13.818 397 HB3 LYS 53 HB3 LYS 53 93.104 -4.498 13.492 398 HG2 LYS 53 HG2 LYS 53 93.232 -3.765 15.834 399 HG3 LYS 53 HG3 LYS 53 91.679 -4.533 16.171 400 HD2 LYS 53 HD2 LYS 53 92.629 -6.727 15.579 401 HD3 LYS 53 HD3 LYS 53 94.179 -5.963 15.225 402 HE2 LYS 53 HE2 LYS 53 92.839 -5.686 17.920 403 HE3 LYS 53 HE3 LYS 53 93.934 -7.019 17.551 404 HZ1 LYS 53 HZ1 LYS 53 95.713 -5.586 17.259 405 HZ2 LYS 53 HZ2 LYS 53 94.902 -4.912 18.591 406 HZ3 LYS 53 HZ3 LYS 53 94.727 -4.222 17.048 407 H ASN 54 H ASN 54 92.721 -1.024 13.807 408 HA ASN 54 HA ASN 54 92.885 -0.550 16.594 409 HB2 ASN 54 HB2 ASN 54 94.032 1.358 16.017 410 HB3 ASN 54 HB1 ASN 54 94.232 0.427 14.539 411 HD21 ASN 54 HD21 ASN 54 91.555 0.809 13.488 412 HD22 ASN 54 HD22 ASN 54 91.392 2.448 13.082 413 H LYS 55 H LYS 55 90.429 -0.055 14.287 414 HA LYS 55 HA LYS 55 88.326 0.882 14.400 415 HB2 LYS 55 HB2 LYS 55 88.565 1.061 17.387 416 HB3 LYS 55 HB3 LYS 55 87.167 0.632 16.403 417 HG2 LYS 55 HG2 LYS 55 88.656 -1.420 15.687 418 HG3 LYS 55 HG3 LYS 55 89.531 -1.054 17.173 419 HD2 LYS 55 HD2 LYS 55 87.930 -2.520 17.993 420 HD3 LYS 55 HD3 LYS 55 87.089 -0.986 18.214 421 HE2 LYS 55 HE2 LYS 55 86.127 -1.366 15.858 422 HE3 LYS 55 HE3 LYS 55 86.707 -3.023 16.015 423 HZ1 LYS 55 HZ1 LYS 55 84.943 -1.701 17.999 424 HZ2 LYS 55 HZ2 LYS 55 85.371 -3.344 17.935 425 HZ3 LYS 55 HZ3 LYS 55 84.370 -2.677 16.735 426 H GLY 56 H GLY 56 89.806 2.747 13.551 427 HA2 GLY 56 HA2 GLY 56 90.057 4.993 15.382 428 HA3 GLY 56 HA3 GLY 56 90.551 4.960 13.692 429 H ILE 57 H ILE 57 88.167 4.172 12.485 430 HA ILE 57 HA ILE 57 86.138 6.120 13.319 431 HB ILE 57 HB ILE 57 86.013 7.154 11.137 432 HG12 ILE 57 HG12 ILE 57 87.975 6.538 9.515 433 HG13 ILE 57 HG13 ILE 57 88.058 5.041 10.440 434 HG21 ILE 57 HG21 ILE 57 88.925 7.040 11.960 435 HG22 ILE 57 HG22 ILE 57 87.703 7.967 12.829 436 HG23 ILE 57 HG23 ILE 57 88.094 8.372 11.157 437 HD11 ILE 57 HD11 ILE 57 85.318 5.770 9.624 438 HD12 ILE 57 HD12 ILE 57 86.160 4.228 9.498 439 HD13 ILE 57 HD13 ILE 57 86.410 5.467 8.276 440 H THR 58 H THR 58 84.167 5.914 11.818 441 HA THR 58 HA THR 58 83.723 3.038 11.302 442 HB THR 58 HB THR 58 81.832 5.235 12.145 443 HG1 THR 58 HG1 THR 58 81.679 4.029 13.958 444 HG21 THR 58 HG21 THR 58 80.565 4.000 10.569 445 HG22 THR 58 HG22 THR 58 80.146 3.289 12.127 446 HG23 THR 58 HG23 THR 58 81.289 2.472 11.064 447 H TRP 59 H TRP 59 82.877 2.348 9.392 448 HA TRP 59 HA TRP 59 83.245 3.947 7.088 449 HB2 TRP 59 HB2 TRP 59 81.420 1.550 7.198 450 HB3 TRP 59 HB1 TRP 59 82.389 2.133 5.845 451 HD1 TRP 59 HD1 TRP 59 85.168 2.476 7.234 452 HE1 TRP 59 HE1 TRP 59 86.502 0.394 7.992 453 HE3 TRP 59 HE3 TRP 59 81.393 -0.939 7.573 454 HZ2 TRP 59 HZ2 TRP 59 86.016 -2.335 8.684 455 HZ3 TRP 59 HZ3 TRP 59 81.854 -3.268 8.274 456 HH2 TRP 59 HH2 TRP 59 84.162 -3.968 8.830 457 H LYS 60 H LYS 60 81.871 5.188 5.927 458 HA LYS 60 HA LYS 60 79.010 5.177 6.439 459 HB2 LYS 60 HB2 LYS 60 80.750 7.568 7.098 460 HB3 LYS 60 HB3 LYS 60 78.997 7.641 6.933 461 HG2 LYS 60 HG2 LYS 60 78.905 5.764 8.679 462 HG3 LYS 60 HG3 LYS 60 80.606 6.110 8.982 463 HD2 LYS 60 HD2 LYS 60 78.500 8.277 9.059 464 HD3 LYS 60 HD3 LYS 60 78.908 7.318 10.480 465 HE2 LYS 60 HE2 LYS 60 81.306 7.982 10.172 466 HE3 LYS 60 HE3 LYS 60 80.796 9.054 8.869 467 HZ1 LYS 60 HZ1 LYS 60 80.144 9.219 11.744 468 HZ2 LYS 60 HZ2 LYS 60 79.201 10.016 10.578 469 HZ3 LYS 60 HZ3 LYS 60 80.847 10.400 10.751 470 H GLU 61 H GLU 61 78.451 7.656 5.207 471 HA GLU 61 HA GLU 61 78.894 6.931 2.458 472 HB2 GLU 61 HB2 GLU 61 76.791 8.009 3.371 473 HB3 GLU 61 HB3 GLU 61 77.710 9.509 3.497 474 HG2 GLU 61 HG2 GLU 61 78.178 9.469 1.102 475 HG3 GLU 61 HG3 GLU 61 77.374 7.909 0.945 476 H GLU 62 H GLU 62 79.673 9.875 4.334 477 HA GLU 62 HA GLU 62 81.417 10.918 2.336 478 HB2 GLU 62 HB2 GLU 62 81.270 11.591 5.286 479 HB3 GLU 62 HB3 GLU 62 82.040 12.566 4.033 480 HG2 GLU 62 HG2 GLU 62 79.799 12.649 2.857 481 HG3 GLU 62 HG3 GLU 62 79.097 11.910 4.294 482 H THR 63 H THR 63 81.982 9.172 5.384 483 HA THR 63 HA THR 63 84.748 9.279 5.492 484 HB THR 63 HB THR 63 84.632 7.121 6.689 485 HG1 THR 63 HG1 THR 63 82.692 6.636 5.115 486 HG21 THR 63 HG21 THR 63 82.501 9.177 7.265 487 HG22 THR 63 HG22 THR 63 84.094 9.025 8.007 488 HG23 THR 63 HG23 THR 63 82.842 7.833 8.356 489 H LEU 64 H LEU 64 82.642 7.223 3.565 490 HA LEU 64 HA LEU 64 84.709 5.582 2.499 491 HB2 LEU 64 HB2 LEU 64 81.835 5.920 2.131 492 HB3 LEU 64 HB3 LEU 64 82.661 5.588 0.617 493 HG LEU 64 HG LEU 64 83.038 3.936 3.129 494 HD11 LEU 64 HD11 LEU 64 80.964 3.892 1.024 495 HD12 LEU 64 HD12 LEU 64 80.932 3.216 2.649 496 HD13 LEU 64 HD13 LEU 64 81.717 2.330 1.342 497 HD21 LEU 64 HD21 LEU 64 83.734 2.327 1.081 498 HD22 LEU 64 HD22 LEU 64 84.891 3.403 1.857 499 HD23 LEU 64 HD23 LEU 64 84.126 3.880 0.343 500 H MET 65 H MET 65 83.240 8.648 1.523 501 HA MET 65 HA MET 65 84.287 8.798 -1.084 502 HB2 MET 65 HB2 MET 65 83.743 11.049 0.864 503 HB3 MET 65 HB1 MET 65 84.010 11.244 -0.866 504 HG2 MET 65 HG2 MET 65 82.036 9.960 -1.387 505 HG3 MET 65 HG1 MET 65 81.826 9.513 0.303 506 HE1 MET 65 HE1 MET 65 81.828 12.292 -2.338 507 HE2 MET 65 HE2 MET 65 80.340 13.120 -1.886 508 HE3 MET 65 HE3 MET 65 80.301 11.402 -2.273 509 H GLU 66 H GLU 66 85.599 10.286 1.890 510 HA GLU 66 HA GLU 66 88.010 11.156 0.714 511 HB2 GLU 66 HB2 GLU 66 87.498 10.402 3.603 512 HB3 GLU 66 HB3 GLU 66 88.823 11.404 3.009 513 HG2 GLU 66 HG2 GLU 66 85.874 12.053 2.728 514 HG3 GLU 66 HG3 GLU 66 86.970 12.786 3.897 515 H TYR 67 H TYR 67 86.977 8.101 2.010 516 HA TYR 67 HA TYR 67 89.614 6.933 2.126 517 HB2 TYR 67 HB2 TYR 67 88.039 6.013 3.634 518 HB3 TYR 67 HB3 TYR 67 86.812 5.866 2.385 519 HD1 TYR 67 HD2 TYR 67 87.047 4.149 0.584 520 HD2 TYR 67 HD1 TYR 67 89.709 4.317 3.952 521 HE1 TYR 67 HE2 TYR 67 87.798 1.833 0.107 522 HE2 TYR 67 HE1 TYR 67 90.458 2.001 3.476 523 HH TYR 67 HH TYR 67 89.233 0.221 0.643 524 H LEU 68 H LEU 68 87.086 7.300 -0.226 525 HA LEU 68 HA LEU 68 88.049 5.236 -1.996 526 HB2 LEU 68 HB2 LEU 68 85.906 7.329 -2.093 527 HB3 LEU 68 HB3 LEU 68 86.447 6.608 -3.605 528 HG LEU 68 HG LEU 68 85.455 5.058 -1.194 529 HD11 LEU 68 HD11 LEU 68 83.444 4.685 -2.402 530 HD12 LEU 68 HD12 LEU 68 84.120 5.347 -3.889 531 HD13 LEU 68 HD13 LEU 68 83.751 6.416 -2.538 532 HD21 LEU 68 HD21 LEU 68 85.324 3.404 -3.372 533 HD22 LEU 68 HD22 LEU 68 86.637 3.409 -2.200 534 HD23 LEU 68 HD23 LEU 68 86.799 4.302 -3.709 535 H GLU 69 H GLU 69 88.757 8.557 -1.402 536 HA GLU 69 HA GLU 69 90.069 8.928 -3.987 537 HB2 GLU 69 HB2 GLU 69 89.009 10.908 -3.418 538 HB3 GLU 69 HB3 GLU 69 89.284 10.683 -1.692 539 HG2 GLU 69 HG2 GLU 69 91.565 11.334 -1.868 540 HG3 GLU 69 HG3 GLU 69 91.542 11.206 -3.627 541 H ASN 70 H ASN 70 90.760 7.784 -0.885 542 HA ASN 70 HA ASN 70 93.518 7.358 -1.482 543 HB2 ASN 70 HB2 ASN 70 94.457 8.721 0.356 544 HB3 ASN 70 HB1 ASN 70 93.714 9.715 -0.894 545 HD21 ASN 70 HD21 ASN 70 93.331 8.552 2.438 546 HD22 ASN 70 HD22 ASN 70 92.089 9.635 2.851 547 HA PRO 71 HA PRO 71 91.141 4.517 1.453 548 HB2 PRO 71 HB2 PRO 71 92.902 2.682 -0.125 549 HB3 PRO 71 HB1 PRO 71 91.216 2.466 0.382 550 HG2 PRO 71 HG2 PRO 71 91.850 3.107 -2.128 551 HG3 PRO 71 HG1 PRO 71 90.391 3.736 -1.343 552 HD2 PRO 71 HD2 PRO 71 92.928 5.149 -2.001 553 HD3 PRO 71 HD1 PRO 71 91.281 5.798 -1.842 554 H LYS 72 H LYS 72 94.558 4.606 0.485 555 HA LYS 72 HA LYS 72 95.487 3.292 2.866 556 HB2 LYS 72 HB2 LYS 72 96.673 3.204 0.678 557 HB3 LYS 72 HB3 LYS 72 97.057 4.913 0.858 558 HG2 LYS 72 HG2 LYS 72 98.853 4.369 2.111 559 HG3 LYS 72 HG3 LYS 72 97.782 3.649 3.310 560 HD2 LYS 72 HD2 LYS 72 98.686 2.164 0.830 561 HD3 LYS 72 HD3 LYS 72 99.566 2.099 2.355 562 HE2 LYS 72 HE2 LYS 72 96.670 1.295 1.940 563 HE3 LYS 72 HE3 LYS 72 98.025 0.197 2.196 564 HZ1 LYS 72 HZ1 LYS 72 98.388 1.556 4.321 565 HZ2 LYS 72 HZ2 LYS 72 97.115 0.431 4.294 566 HZ3 LYS 72 HZ3 LYS 72 96.794 2.088 4.096 567 H LYS 73 H LYS 73 95.605 6.664 1.694 568 HA LYS 73 HA LYS 73 96.965 7.675 3.951 569 HB2 LYS 73 HB2 LYS 73 96.432 8.734 1.580 570 HB3 LYS 73 HB3 LYS 73 95.062 9.421 2.449 571 HG2 LYS 73 HG2 LYS 73 96.781 10.145 4.229 572 HG3 LYS 73 HG3 LYS 73 98.006 9.783 3.014 573 HD2 LYS 73 HD2 LYS 73 97.627 12.024 2.547 574 HD3 LYS 73 HD3 LYS 73 96.445 11.282 1.470 575 HE2 LYS 73 HE2 LYS 73 94.688 11.587 3.168 576 HE3 LYS 73 HE3 LYS 73 95.866 12.299 4.270 577 HZ1 LYS 73 HZ1 LYS 73 96.219 14.095 2.757 578 HZ2 LYS 73 HZ2 LYS 73 94.547 13.951 3.023 579 HZ3 LYS 73 HZ3 LYS 73 95.234 13.377 1.579 580 H TYR 74 H TYR 74 93.697 6.692 3.555 581 HA TYR 74 HA TYR 74 92.586 8.412 5.575 582 HB2 TYR 74 HB2 TYR 74 91.438 7.017 3.603 583 HB3 TYR 74 HB3 TYR 74 91.271 5.823 4.889 584 HD1 TYR 74 HD1 TYR 74 90.898 9.541 4.457 585 HD2 TYR 74 HD2 TYR 74 89.304 5.923 6.139 586 HE1 TYR 74 HE1 TYR 74 88.986 10.815 5.387 587 HE2 TYR 74 HE2 TYR 74 87.392 7.199 7.067 588 HH TYR 74 HH TYR 74 87.139 9.892 7.751 589 H ILE 75 H ILE 75 93.246 4.905 5.481 590 HA ILE 75 HA ILE 75 93.735 5.007 8.400 591 HB ILE 75 HB ILE 75 92.371 2.764 6.886 592 HG12 ILE 75 HG12 ILE 75 91.140 4.545 8.995 593 HG13 ILE 75 HG13 ILE 75 91.093 4.989 7.289 594 HG21 ILE 75 HG21 ILE 75 91.892 2.053 9.317 595 HG22 ILE 75 HG22 ILE 75 93.162 3.188 9.774 596 HG23 ILE 75 HG23 ILE 75 93.538 1.817 8.731 597 HD11 ILE 75 HD11 ILE 75 89.817 3.079 6.709 598 HD12 ILE 75 HD12 ILE 75 89.087 3.657 8.207 599 HD13 ILE 75 HD13 ILE 75 90.179 2.272 8.235 600 HA PRO 76 HA PRO 76 97.522 3.684 5.935 601 HB2 PRO 76 HB2 PRO 76 98.513 4.537 8.639 602 HB3 PRO 76 HB1 PRO 76 99.245 4.791 7.041 603 HG2 PRO 76 HG2 PRO 76 97.927 6.744 8.283 604 HG3 PRO 76 HG1 PRO 76 97.840 6.538 6.525 605 HD2 PRO 76 HD2 PRO 76 95.760 5.994 8.576 606 HD3 PRO 76 HD1 PRO 76 95.570 6.370 6.849 607 H GLY 77 H GLY 77 98.060 1.588 5.893 608 HA2 GLY 77 HA2 GLY 77 99.102 -0.277 7.134 609 HA3 GLY 77 HA3 GLY 77 97.912 0.011 8.401 610 H THR 78 H THR 78 95.766 0.537 6.448 611 HA THR 78 HA THR 78 94.616 -1.995 6.280 612 HB THR 78 HB THR 78 93.421 0.203 6.067 613 HG1 THR 78 HG1 THR 78 91.984 -1.151 5.393 614 HG21 THR 78 HG21 THR 78 94.257 0.054 3.171 615 HG22 THR 78 HG22 THR 78 95.120 1.043 4.348 616 HG23 THR 78 HG23 THR 78 93.423 1.369 3.997 617 H LYS 79 H LYS 79 94.501 -3.562 4.699 618 HA LYS 79 HA LYS 79 96.657 -3.494 2.728 619 HB2 LYS 79 HB2 LYS 79 95.915 -5.491 4.292 620 HB3 LYS 79 HB3 LYS 79 94.767 -5.802 2.992 621 HG2 LYS 79 HG2 LYS 79 97.782 -5.607 2.724 622 HG3 LYS 79 HG3 LYS 79 96.807 -7.069 2.572 623 HD2 LYS 79 HD2 LYS 79 95.566 -5.839 0.682 624 HD3 LYS 79 HD3 LYS 79 96.901 -4.687 0.718 625 HE2 LYS 79 HE2 LYS 79 98.479 -6.638 0.440 626 HE3 LYS 79 HE3 LYS 79 97.068 -7.663 0.178 627 HZ1 LYS 79 HZ1 LYS 79 96.810 -6.888 -1.878 628 HZ2 LYS 79 HZ2 LYS 79 98.380 -6.255 -1.734 629 HZ3 LYS 79 HZ3 LYS 79 97.032 -5.274 -1.407 630 H MET 80 H MET 80 95.929 -2.039 1.184 631 HA MET 80 HA MET 80 94.331 -3.108 -0.895 632 HB2 MET 80 HB2 MET 80 92.435 -2.573 0.530 633 HB3 MET 80 HB1 MET 80 93.038 -0.930 0.765 634 HG2 MET 80 HG2 MET 80 92.706 -0.383 -1.550 635 HG3 MET 80 HG1 MET 80 92.395 -2.067 -1.967 636 HE1 MET 80 HE1 MET 80 89.198 0.553 -2.070 637 HE2 MET 80 HE2 MET 80 90.341 -0.264 -3.133 638 HE3 MET 80 HE3 MET 80 90.910 0.994 -2.040 639 H ILE 81 H ILE 81 96.013 -2.496 -2.204 640 HA ILE 81 HA ILE 81 96.621 0.392 -2.382 641 HB ILE 81 HB ILE 81 98.196 -2.084 -3.079 642 HG12 ILE 81 HG12 ILE 81 99.908 -0.914 -1.704 643 HG13 ILE 81 HG13 ILE 81 98.777 0.414 -1.452 644 HG21 ILE 81 HG21 ILE 81 98.529 0.739 -4.107 645 HG22 ILE 81 HG22 ILE 81 98.535 -0.767 -5.025 646 HG23 ILE 81 HG23 ILE 81 99.899 -0.365 -3.983 647 HD11 ILE 81 HD11 ILE 81 98.997 -1.605 0.295 648 HD12 ILE 81 HD12 ILE 81 97.819 -2.339 -0.793 649 HD13 ILE 81 HD13 ILE 81 97.458 -0.802 -0.005 650 H PHE 82 H PHE 82 95.227 1.256 -3.817 651 HA PHE 82 HA PHE 82 95.345 0.300 -6.569 652 HB2 PHE 82 HB2 PHE 82 93.398 -0.861 -5.322 653 HB3 PHE 82 HB1 PHE 82 92.625 0.724 -5.344 654 HD1 PHE 82 HD1 PHE 82 92.036 1.812 -7.487 655 HD2 PHE 82 HD2 PHE 82 93.698 -2.146 -7.350 656 HE1 PHE 82 HE1 PHE 82 91.330 1.434 -9.834 657 HE2 PHE 82 HE2 PHE 82 92.992 -2.525 -9.696 658 HZ PHE 82 HZ PHE 82 91.807 -0.735 -10.938 659 H ALA 83 H ALA 83 94.266 1.839 -8.065 660 HA ALA 83 HA ALA 83 95.024 4.513 -7.458 661 HB1 ALA 83 HB1 ALA 83 93.392 3.352 -9.725 662 HB2 ALA 83 HB2 ALA 83 95.110 3.748 -9.743 663 HB3 ALA 83 HB3 ALA 83 93.909 5.036 -9.644 664 H GLY 84 H GLY 84 93.955 5.767 -6.070 665 HA2 GLY 84 HA2 GLY 84 91.329 5.405 -5.166 666 HA3 GLY 84 HA3 GLY 84 92.240 6.908 -5.041 667 H ILE 85 H ILE 85 89.755 7.458 -5.375 668 HA ILE 85 HA ILE 85 88.998 7.514 -8.199 669 HB ILE 85 HB ILE 85 87.628 8.497 -5.690 670 HG12 ILE 85 HG12 ILE 85 87.897 5.947 -6.396 671 HG13 ILE 85 HG13 ILE 85 86.362 6.547 -5.782 672 HG21 ILE 85 HG21 ILE 85 85.641 8.654 -7.333 673 HG22 ILE 85 HG22 ILE 85 86.863 8.671 -8.602 674 HG23 ILE 85 HG23 ILE 85 86.841 9.946 -7.384 675 HD11 ILE 85 HD11 ILE 85 85.392 6.642 -7.926 676 HD12 ILE 85 HD12 ILE 85 86.314 5.140 -7.952 677 HD13 ILE 85 HD13 ILE 85 86.958 6.583 -8.735 678 H LYS 86 H LYS 86 88.374 9.563 -9.232 679 HA LYS 86 HA LYS 86 90.260 11.699 -8.489 680 HB2 LYS 86 HB2 LYS 86 88.781 11.195 -11.080 681 HB3 LYS 86 HB3 LYS 86 89.940 12.494 -10.798 682 HG2 LYS 86 HG2 LYS 86 91.599 10.654 -10.122 683 HG3 LYS 86 HG3 LYS 86 90.455 9.518 -10.833 684 HD2 LYS 86 HD2 LYS 86 91.782 9.949 -12.684 685 HD3 LYS 86 HD3 LYS 86 90.565 11.208 -12.885 686 HE2 LYS 86 HE2 LYS 86 92.627 12.346 -13.133 687 HE3 LYS 86 HE3 LYS 86 92.138 12.695 -11.475 688 HZ1 LYS 86 HZ1 LYS 86 93.527 10.808 -10.759 689 HZ2 LYS 86 HZ2 LYS 86 94.427 12.043 -11.502 690 HZ3 LYS 86 HZ3 LYS 86 94.069 10.619 -12.356 691 H LYS 87 H LYS 87 87.078 11.719 -10.132 692 HA LYS 87 HA LYS 87 86.475 14.307 -9.001 693 HB2 LYS 87 HB2 LYS 87 84.771 12.428 -10.649 694 HB3 LYS 87 HB3 LYS 87 84.360 14.096 -10.253 695 HG2 LYS 87 HG2 LYS 87 86.919 13.334 -11.681 696 HG3 LYS 87 HG3 LYS 87 85.433 13.741 -12.538 697 HD2 LYS 87 HD2 LYS 87 85.462 15.901 -11.056 698 HD3 LYS 87 HD3 LYS 87 87.167 15.510 -10.826 699 HE2 LYS 87 HE2 LYS 87 85.721 16.231 -13.361 700 HE3 LYS 87 HE3 LYS 87 87.230 16.881 -12.721 701 HZ1 LYS 87 HZ1 LYS 87 87.842 15.470 -14.468 702 HZ2 LYS 87 HZ2 LYS 87 86.764 14.248 -13.989 703 HZ3 LYS 87 HZ3 LYS 87 88.152 14.571 -13.064 704 H LYS 88 H LYS 88 84.466 14.770 -7.847 705 HA LYS 88 HA LYS 88 84.169 13.076 -5.562 706 HB2 LYS 88 HB2 LYS 88 83.888 15.595 -5.589 707 HB3 LYS 88 HB3 LYS 88 82.334 15.333 -6.381 708 HG2 LYS 88 HG2 LYS 88 81.733 13.789 -4.453 709 HG3 LYS 88 HG3 LYS 88 83.188 14.364 -3.640 710 HD2 LYS 88 HD2 LYS 88 81.650 15.873 -2.790 711 HD3 LYS 88 HD3 LYS 88 82.159 16.751 -4.233 712 HE2 LYS 88 HE2 LYS 88 80.225 15.513 -5.428 713 HE3 LYS 88 HE3 LYS 88 79.642 15.140 -3.806 714 HZ1 LYS 88 HZ1 LYS 88 78.920 17.208 -3.540 715 HZ2 LYS 88 HZ2 LYS 88 79.183 17.444 -5.201 716 HZ3 LYS 88 HZ3 LYS 88 80.380 17.883 -4.078 717 H THR 89 H THR 89 82.092 13.854 -8.353 718 HA THR 89 HA THR 89 79.871 12.321 -7.595 719 HB THR 89 HB THR 89 79.347 12.240 -10.029 720 HG1 THR 89 HG1 THR 89 81.040 13.780 -11.102 721 HG21 THR 89 HG21 THR 89 80.261 14.870 -8.840 722 HG22 THR 89 HG22 THR 89 78.640 14.176 -8.779 723 HG23 THR 89 HG23 THR 89 79.299 14.748 -10.313 724 H GLU 90 H GLU 90 82.971 11.382 -8.857 725 HA GLU 90 HA GLU 90 82.219 8.784 -9.776 726 HB2 GLU 90 HB2 GLU 90 84.847 10.035 -8.983 727 HB3 GLU 90 HB3 GLU 90 84.733 8.330 -9.414 728 HG2 GLU 90 HG2 GLU 90 84.027 8.817 -11.616 729 HG3 GLU 90 HG3 GLU 90 83.617 10.481 -11.209 730 H ARG 91 H ARG 91 83.272 10.157 -6.720 731 HA ARG 91 HA ARG 91 83.432 7.622 -5.347 732 HB2 ARG 91 HB2 ARG 91 83.346 10.481 -4.334 733 HB3 ARG 91 HB3 ARG 91 83.589 9.069 -3.307 734 HG2 ARG 91 HG2 ARG 91 85.577 8.468 -4.718 735 HG3 ARG 91 HG3 ARG 91 85.377 10.002 -5.563 736 HD2 ARG 91 HD2 ARG 91 85.415 10.224 -2.614 737 HD3 ARG 91 HD3 ARG 91 86.927 9.676 -3.330 738 HE ARG 91 HE ARG 91 86.160 11.843 -4.854 739 HH11 ARG 91 HH21 ARG 91 86.760 11.184 -1.509 740 HH12 ARG 91 HH22 ARG 91 87.313 12.785 -1.151 741 HH21 ARG 91 HH11 ARG 91 86.886 13.944 -4.390 742 HH22 ARG 91 HH12 ARG 91 87.385 14.347 -2.781 743 H GLU 92 H GLU 92 81.181 10.389 -5.313 744 HA GLU 92 HA GLU 92 79.311 9.334 -3.520 745 HB2 GLU 92 HB2 GLU 92 79.508 11.700 -4.690 746 HB3 GLU 92 HB3 GLU 92 78.387 10.983 -5.847 747 HG2 GLU 92 HG2 GLU 92 77.988 11.267 -2.856 748 HG3 GLU 92 HG3 GLU 92 77.084 12.084 -4.131 749 H ASP 93 H ASP 93 79.284 9.246 -7.094 750 HA ASP 93 HA ASP 93 77.003 7.640 -7.387 751 HB2 ASP 93 HB2 ASP 93 79.467 7.796 -9.143 752 HB3 ASP 93 HB1 ASP 93 77.925 7.085 -9.618 753 H LEU 94 H LEU 94 80.441 6.712 -7.325 754 HA LEU 94 HA LEU 94 80.135 3.946 -7.508 755 HB2 LEU 94 HB2 LEU 94 82.331 4.993 -7.664 756 HB3 LEU 94 HB3 LEU 94 82.202 5.559 -6.000 757 HG LEU 94 HG LEU 94 82.214 3.288 -5.158 758 HD11 LEU 94 HD11 LEU 94 81.054 1.998 -6.722 759 HD12 LEU 94 HD12 LEU 94 82.719 1.474 -6.972 760 HD13 LEU 94 HD13 LEU 94 81.984 2.632 -8.081 761 HD21 LEU 94 HD21 LEU 94 84.472 2.868 -5.483 762 HD22 LEU 94 HD22 LEU 94 84.383 4.537 -6.036 763 HD23 LEU 94 HD23 LEU 94 84.403 3.220 -7.208 764 H ILE 95 H ILE 95 79.900 6.109 -4.753 765 HA ILE 95 HA ILE 95 79.714 4.000 -2.833 766 HB ILE 95 HB ILE 95 79.336 6.976 -2.705 767 HG12 ILE 95 HG12 ILE 95 81.216 5.246 -1.112 768 HG13 ILE 95 HG13 ILE 95 81.578 5.627 -2.791 769 HG21 ILE 95 HG21 ILE 95 77.781 6.407 -1.065 770 HG22 ILE 95 HG22 ILE 95 79.268 6.376 -0.119 771 HG23 ILE 95 HG23 ILE 95 78.567 4.870 -0.709 772 HD11 ILE 95 HD11 ILE 95 80.821 7.859 -0.953 773 HD12 ILE 95 HD12 ILE 95 81.876 7.876 -2.364 774 HD13 ILE 95 HD13 ILE 95 82.447 7.190 -0.849 775 H ALA 96 H ALA 96 77.486 5.813 -4.780 776 HA ALA 96 HA ALA 96 75.120 5.274 -3.319 777 HB1 ALA 96 HB1 ALA 96 75.437 6.935 -5.234 778 HB2 ALA 96 HB2 ALA 96 73.951 5.985 -5.262 779 HB3 ALA 96 HB3 ALA 96 75.294 5.553 -6.319 780 H TYR 97 H TYR 97 76.961 3.494 -5.733 781 HA TYR 97 HA TYR 97 75.003 1.398 -6.014 782 HB2 TYR 97 HB2 TYR 97 76.441 1.727 -7.890 783 HB3 TYR 97 HB3 TYR 97 77.886 1.662 -6.881 784 HD1 TYR 97 HD1 TYR 97 75.064 -0.355 -8.227 785 HD2 TYR 97 HD2 TYR 97 78.871 -0.425 -6.243 786 HE1 TYR 97 HE1 TYR 97 75.175 -2.811 -8.531 787 HE2 TYR 97 HE2 TYR 97 78.983 -2.883 -6.548 788 HH TYR 97 HH TYR 97 76.447 -4.769 -7.208 789 H LEU 98 H LEU 98 78.112 1.791 -4.321 790 HA LEU 98 HA LEU 98 78.333 -0.766 -3.236 791 HB2 LEU 98 HB2 LEU 98 79.247 1.944 -2.304 792 HB3 LEU 98 HB3 LEU 98 79.539 0.518 -1.317 793 HG LEU 98 HG LEU 98 80.282 0.471 -4.234 794 HD11 LEU 98 HD11 LEU 98 82.454 1.385 -3.786 795 HD12 LEU 98 HD12 LEU 98 82.120 1.485 -2.058 796 HD13 LEU 98 HD13 LEU 98 81.276 2.544 -3.184 797 HD21 LEU 98 HD21 LEU 98 80.327 -1.496 -2.468 798 HD22 LEU 98 HD22 LEU 98 81.818 -0.715 -1.945 799 HD23 LEU 98 HD23 LEU 98 81.665 -1.298 -3.600 800 H LYS 99 H LYS 99 76.150 1.807 -2.481 801 HA LYS 99 HA LYS 99 75.451 0.839 0.153 802 HB2 LYS 99 HB2 LYS 99 74.394 2.981 -1.672 803 HB3 LYS 99 HB3 LYS 99 73.475 2.487 -0.251 804 HG2 LYS 99 HG2 LYS 99 75.426 2.958 1.184 805 HG3 LYS 99 HG3 LYS 99 76.351 3.448 -0.235 806 HD2 LYS 99 HD2 LYS 99 75.459 5.431 0.887 807 HD3 LYS 99 HD3 LYS 99 74.685 5.235 -0.685 808 HE2 LYS 99 HE2 LYS 99 72.651 4.595 0.243 809 HE3 LYS 99 HE3 LYS 99 73.398 3.976 1.716 810 HZ1 LYS 99 HZ1 LYS 99 73.448 6.852 1.042 811 HZ2 LYS 99 HZ2 LYS 99 73.699 6.114 2.551 812 HZ3 LYS 99 HZ3 LYS 99 72.142 6.160 1.871 813 H LYS 100 H LYS 100 73.799 0.953 -3.007 814 HA LYS 100 HA LYS 100 71.616 -0.683 -2.110 815 HB2 LYS 100 HB2 LYS 100 72.499 0.064 -4.908 816 HB3 LYS 100 HB3 LYS 100 70.964 -0.699 -4.491 817 HG2 LYS 100 HG2 LYS 100 70.598 1.289 -2.901 818 HG3 LYS 100 HG3 LYS 100 71.932 2.065 -3.755 819 HD2 LYS 100 HD2 LYS 100 70.727 1.763 -5.896 820 HD3 LYS 100 HD3 LYS 100 69.383 1.024 -5.025 821 HE2 LYS 100 HE2 LYS 100 69.304 3.178 -3.636 822 HE3 LYS 100 HE3 LYS 100 70.365 3.876 -4.859 823 HZ1 LYS 100 HZ1 LYS 100 67.822 2.530 -5.550 824 HZ2 LYS 100 HZ2 LYS 100 68.764 3.559 -6.522 825 HZ3 LYS 100 HZ3 LYS 100 67.901 4.189 -5.200 826 H ALA 101 H ALA 101 74.784 -1.310 -3.217 827 HA ALA 101 HA ALA 101 74.211 -3.988 -4.199 828 HB1 ALA 101 HB1 ALA 101 76.913 -2.745 -3.673 829 HB2 ALA 101 HB2 ALA 101 76.007 -2.487 -5.164 830 HB3 ALA 101 HB3 ALA 101 76.541 -4.110 -4.724 831 H THR 102 H THR 102 75.444 -2.416 -1.316 832 HA THR 102 HA THR 102 76.150 -4.981 -0.091 833 HB THR 102 HB THR 102 76.889 -3.560 1.813 834 HG1 THR 102 HG1 THR 102 75.620 -1.663 0.226 835 HG21 THR 102 HG21 THR 102 77.869 -2.876 -0.964 836 HG22 THR 102 HG22 THR 102 78.520 -4.087 0.136 837 HG23 THR 102 HG23 THR 102 78.704 -2.371 0.505 838 H ASN 103 H ASN 103 73.420 -3.183 -0.539 839 HA ASN 103 HA ASN 103 72.223 -3.781 2.074 840 HB2 ASN 103 HB2 ASN 103 71.398 -2.120 -0.296 841 HB3 ASN 103 HB1 ASN 103 70.249 -2.548 0.963 842 HD21 ASN 103 HD21 ASN 103 73.644 -2.043 1.747 843 HD22 ASN 103 HD22 ASN 103 73.416 -0.583 2.579 844 H GLU 104 H GLU 104 72.286 -4.883 -1.209 845 HA GLU 104 HA GLU 104 70.610 -7.156 -0.503 846 HB2 GLU 104 HB2 GLU 104 69.171 -6.806 -2.547 847 HB3 GLU 104 HB3 GLU 104 68.886 -5.658 -1.238 848 HG2 GLU 104 HG2 GLU 104 70.141 -3.947 -2.340 849 HG3 GLU 104 HG3 GLU 104 70.788 -5.086 -3.519 850 HHA HEC 201 HA HEC 105 89.255 -3.480 3.268 851 HHB HEC 201 HB HEC 105 85.540 0.085 -0.407 852 HHC HEC 201 HC HEC 105 88.823 -1.765 -5.489 853 HHD HEC 201 HD HEC 105 92.093 -5.806 -1.886 854 HMA1 HEC 201 HMA1 HEC 105 84.468 -0.564 2.186 855 HMA2 HEC 201 HMA2 HEC 105 85.418 0.848 1.724 856 HMA3 HEC 201 HMA3 HEC 105 85.546 0.198 3.354 857 HAA1 HEC 201 HAA1 HEC 105 86.793 -0.916 4.542 858 HAA2 HEC 201 HAA2 HEC 105 88.334 -1.748 4.514 859 HBA1 HEC 201 HBA1 HEC 105 87.271 -3.888 4.452 860 HBA2 HEC 201 HBA2 HEC 105 85.689 -3.163 4.182 861 HMB1 HEC 201 HMB1 HEC 105 85.101 1.531 -2.201 862 HMB2 HEC 201 HMB2 HEC 105 84.121 0.185 -2.775 863 HMB3 HEC 201 HMB3 HEC 105 84.878 1.274 -3.929 864 HAB HEC 201 HAB HEC 105 87.358 -0.535 -6.161 865 HBB1 HEC 201 HBB1 HEC 105 88.006 1.674 -5.942 866 HBB2 HEC 201 HBB2 HEC 105 86.336 1.904 -6.456 867 HBB3 HEC 201 HBB3 HEC 105 86.762 2.036 -4.751 868 HMC1 HEC 201 HMC1 HEC 105 91.334 -2.628 -6.578 869 HMC2 HEC 201 HMC2 HEC 105 89.747 -3.352 -6.815 870 HMC3 HEC 201 HMC3 HEC 105 91.186 -4.365 -6.828 871 HAC HEC 201 HAC HEC 105 92.599 -6.199 -3.802 872 HBC1 HEC 201 HBC1 HEC 105 93.634 -5.671 -6.272 873 HBC2 HEC 201 HBC2 HEC 105 94.289 -5.010 -4.775 874 HBC3 HEC 201 HBC3 HEC 105 93.186 -4.047 -5.754 875 HMD1 HEC 201 HMD1 HEC 105 93.092 -6.630 1.640 876 HMD2 HEC 201 HMD2 HEC 105 93.305 -6.352 -0.084 877 HMD3 HEC 201 HMD3 HEC 105 92.126 -7.536 0.478 878 HAD1 HEC 201 HAD1 HEC 105 91.706 -6.354 3.272 879 HAD2 HEC 201 HAD2 HEC 105 90.234 -5.536 3.754 880 HBD1 HEC 201 HBD1 HEC 105 91.585 -3.393 3.861 881 HBD2 HEC 201 HBD2 HEC 105 93.025 -4.392 3.667 882 H1 HOH 301 H2 HOH 200 80.856 2.158 -0.582 883 H2 HOH 301 H1 HOH 200 81.700 3.286 -1.133 884 H1 HOH 302 H2 HOH 201 86.898 4.960 5.722 885 H2 HOH 302 H1 HOH 201 85.737 5.752 5.162 886 H1 HOH 303 H2 HOH 202 82.922 -5.480 5.370 887 H2 HOH 303 H1 HOH 202 81.923 -6.616 5.290 888 H1 HOH 304 H2 HOH 203 81.464 -11.289 0.449 889 H2 HOH 304 H1 HOH 203 82.211 -10.083 -0.075 Start of MODEL 31 1 H1 GLY 1 H1 GLY 1 75.627 10.928 -7.574 2 H2 GLY 1 H2 GLY 1 74.956 11.551 -6.143 3 H3 GLY 1 H3 GLY 1 73.974 11.306 -7.509 4 HA2 GLY 1 HA2 GLY 1 75.402 9.074 -6.195 5 HA3 GLY 1 HA3 GLY 1 73.801 9.594 -5.668 6 H ASP 2 H ASP 2 75.536 8.875 -8.707 7 HA ASP 2 HA ASP 2 73.047 7.877 -9.900 8 HB2 ASP 2 HB2 ASP 2 75.790 8.455 -11.015 9 HB3 ASP 2 HB1 ASP 2 74.521 7.667 -11.950 10 H VAL 3 H VAL 3 72.876 5.985 -8.584 11 HA VAL 3 HA VAL 3 74.724 4.009 -8.143 12 HB VAL 3 HB VAL 3 72.526 3.846 -7.182 13 HG11 VAL 3 HG11 VAL 3 71.578 3.620 -10.053 14 HG12 VAL 3 HG12 VAL 3 71.230 4.930 -8.926 15 HG13 VAL 3 HG13 VAL 3 70.555 3.324 -8.647 16 HG21 VAL 3 HG21 VAL 3 72.603 1.581 -9.178 17 HG22 VAL 3 HG22 VAL 3 72.130 1.537 -7.479 18 HG23 VAL 3 HG23 VAL 3 73.826 1.722 -7.916 19 H GLU 4 H GLU 4 73.403 5.014 -11.155 20 HA GLU 4 HA GLU 4 73.808 2.563 -12.587 21 HB2 GLU 4 HB2 GLU 4 73.436 5.428 -13.465 22 HB3 GLU 4 HB3 GLU 4 73.659 4.103 -14.607 23 HG2 GLU 4 HG2 GLU 4 71.534 4.055 -12.456 24 HG3 GLU 4 HG3 GLU 4 71.238 4.706 -14.068 25 H LYS 5 H LYS 5 75.584 5.668 -12.667 26 HA LYS 5 HA LYS 5 77.807 4.528 -14.066 27 HB2 LYS 5 HB2 LYS 5 77.511 7.128 -12.539 28 HB3 LYS 5 HB3 LYS 5 78.929 6.694 -13.494 29 HG2 LYS 5 HG2 LYS 5 77.471 6.436 -15.496 30 HG3 LYS 5 HG3 LYS 5 76.091 6.965 -14.533 31 HD2 LYS 5 HD2 LYS 5 78.552 8.689 -14.625 32 HD3 LYS 5 HD3 LYS 5 77.436 8.714 -15.989 33 HE2 LYS 5 HE2 LYS 5 76.327 8.985 -13.213 34 HE3 LYS 5 HE3 LYS 5 77.094 10.382 -13.967 35 HZ1 LYS 5 HZ1 LYS 5 74.561 9.188 -14.520 36 HZ2 LYS 5 HZ2 LYS 5 75.505 9.343 -15.925 37 HZ3 LYS 5 HZ3 LYS 5 75.159 10.708 -14.974 38 H GLY 6 H GLY 6 76.808 4.651 -10.795 39 HA2 GLY 6 HA2 GLY 6 79.379 4.396 -9.564 40 HA3 GLY 6 HA3 GLY 6 77.824 4.013 -8.819 41 H LYS 7 H LYS 7 76.989 2.238 -10.928 42 HA LYS 7 HA LYS 7 78.114 -0.205 -9.977 43 HB2 LYS 7 HB2 LYS 7 75.759 0.106 -10.848 44 HB3 LYS 7 HB3 LYS 7 76.447 0.201 -12.468 45 HG2 LYS 7 HG2 LYS 7 77.652 -2.068 -11.624 46 HG3 LYS 7 HG3 LYS 7 76.183 -2.150 -10.653 47 HD2 LYS 7 HD2 LYS 7 75.495 -3.234 -12.599 48 HD3 LYS 7 HD3 LYS 7 74.991 -1.578 -12.938 49 HE2 LYS 7 HE2 LYS 7 77.325 -1.292 -14.013 50 HE3 LYS 7 HE3 LYS 7 77.408 -3.053 -13.984 51 HZ1 LYS 7 HZ1 LYS 7 74.977 -1.832 -15.047 52 HZ2 LYS 7 HZ2 LYS 7 75.777 -3.254 -15.523 53 HZ3 LYS 7 HZ3 LYS 7 76.374 -1.737 -16.004 54 H LYS 8 H LYS 8 78.411 1.676 -12.982 55 HA LYS 8 HA LYS 8 80.039 -0.123 -14.402 56 HB2 LYS 8 HB2 LYS 8 78.993 1.774 -15.494 57 HB3 LYS 8 HB3 LYS 8 79.921 2.899 -14.505 58 HG2 LYS 8 HG2 LYS 8 81.556 0.907 -15.967 59 HG3 LYS 8 HG3 LYS 8 80.688 2.040 -16.999 60 HD2 LYS 8 HD2 LYS 8 82.223 3.069 -14.621 61 HD3 LYS 8 HD3 LYS 8 83.074 2.681 -16.115 62 HE2 LYS 8 HE2 LYS 8 80.718 4.576 -15.888 63 HE3 LYS 8 HE3 LYS 8 82.403 5.060 -16.064 64 HZ1 LYS 8 HZ1 LYS 8 81.696 5.084 -18.225 65 HZ2 LYS 8 HZ2 LYS 8 80.619 3.786 -18.017 66 HZ3 LYS 8 HZ3 LYS 8 82.291 3.499 -18.121 67 H ILE 9 H ILE 9 80.933 2.606 -12.306 68 HA ILE 9 HA ILE 9 83.731 2.286 -12.555 69 HB ILE 9 HB ILE 9 82.115 3.498 -10.299 70 HG12 ILE 9 HG12 ILE 9 83.515 4.947 -12.552 71 HG13 ILE 9 HG13 ILE 9 81.851 4.388 -12.719 72 HG21 ILE 9 HG21 ILE 9 84.214 4.743 -9.837 73 HG22 ILE 9 HG22 ILE 9 85.029 3.802 -11.085 74 HG23 ILE 9 HG23 ILE 9 84.428 3.005 -9.631 75 HD11 ILE 9 HD11 ILE 9 82.884 6.234 -10.545 76 HD12 ILE 9 HD12 ILE 9 81.224 5.656 -10.689 77 HD13 ILE 9 HD13 ILE 9 81.899 6.717 -11.926 78 H PHE 10 H PHE 10 81.328 0.682 -10.624 79 HA PHE 10 HA PHE 10 83.172 -0.367 -8.679 80 HB2 PHE 10 HB2 PHE 10 81.040 -0.230 -7.797 81 HB3 PHE 10 HB1 PHE 10 80.270 -0.724 -9.303 82 HD1 PHE 10 HD1 PHE 10 80.189 -3.096 -9.963 83 HD2 PHE 10 HD2 PHE 10 81.901 -1.866 -6.226 84 HE1 PHE 10 HE1 PHE 10 80.130 -5.442 -9.170 85 HE2 PHE 10 HE2 PHE 10 81.844 -4.215 -5.428 86 HZ PHE 10 HZ PHE 10 80.958 -6.003 -6.905 87 H VAL 11 H VAL 11 81.350 -1.859 -11.373 88 HA VAL 11 HA VAL 11 82.311 -4.445 -11.122 89 HB VAL 11 HB VAL 11 81.855 -4.677 -13.560 90 HG11 VAL 11 HG11 VAL 11 80.085 -4.681 -11.701 91 HG12 VAL 11 HG12 VAL 11 79.510 -4.389 -13.341 92 HG13 VAL 11 HG13 VAL 11 79.700 -3.042 -12.222 93 HG21 VAL 11 HG21 VAL 11 81.224 -1.723 -13.371 94 HG22 VAL 11 HG22 VAL 11 81.047 -2.740 -14.799 95 HG23 VAL 11 HG23 VAL 11 82.653 -2.381 -14.165 96 H GLN 12 H GLN 12 83.856 -1.627 -12.488 97 HA GLN 12 HA GLN 12 86.073 -3.275 -13.481 98 HB2 GLN 12 HB2 GLN 12 86.894 -1.181 -14.493 99 HB3 GLN 12 HB1 GLN 12 85.254 -1.584 -14.994 100 HG2 GLN 12 HG2 GLN 12 84.653 -0.059 -12.858 101 HG3 GLN 12 HG1 GLN 12 86.216 0.646 -13.258 102 HE21 GLN 12 HE21 GLN 12 83.648 -0.653 -15.420 103 HE22 GLN 12 HE22 GLN 12 83.472 0.784 -16.299 104 H LYS 13 H LYS 13 85.355 -1.164 -10.787 105 HA LYS 13 HA LYS 13 88.228 -0.953 -10.168 106 HB2 LYS 13 HB2 LYS 13 85.831 0.494 -9.062 107 HB3 LYS 13 HB3 LYS 13 87.450 0.651 -8.393 108 HG2 LYS 13 HG2 LYS 13 87.366 0.951 -11.322 109 HG3 LYS 13 HG3 LYS 13 86.449 2.184 -10.461 110 HD2 LYS 13 HD2 LYS 13 89.308 1.439 -9.789 111 HD3 LYS 13 HD3 LYS 13 88.867 2.781 -10.844 112 HE2 LYS 13 HE2 LYS 13 87.303 2.986 -8.448 113 HE3 LYS 13 HE3 LYS 13 88.992 2.767 -7.990 114 HZ1 LYS 13 HZ1 LYS 13 89.367 4.516 -9.864 115 HZ2 LYS 13 HZ2 LYS 13 88.907 5.012 -8.305 116 HZ3 LYS 13 HZ3 LYS 13 87.750 4.921 -9.546 117 H CYS 14 H CYS 14 85.299 -1.480 -8.161 118 HA CYS 14 HA CYS 14 86.938 -2.794 -6.171 119 HB2 CYS 14 HB2 CYS 14 83.972 -2.654 -5.966 120 HB3 CYS 14 HB1 CYS 14 85.188 -2.484 -4.707 121 H ALA 15 H ALA 15 84.448 -3.880 -8.455 122 HA ALA 15 HA ALA 15 83.855 -6.353 -7.407 123 HB1 ALA 15 HB1 ALA 15 83.812 -7.099 -9.903 124 HB2 ALA 15 HB2 ALA 15 84.187 -5.409 -10.235 125 HB3 ALA 15 HB3 ALA 15 82.710 -5.830 -9.371 126 H GLN 16 H GLN 16 86.854 -5.282 -8.800 127 HA GLN 16 HA GLN 16 88.113 -7.593 -9.566 128 HB2 GLN 16 HB2 GLN 16 88.992 -5.004 -8.454 129 HB3 GLN 16 HB1 GLN 16 90.159 -6.315 -8.294 130 HG2 GLN 16 HG2 GLN 16 89.965 -6.774 -10.716 131 HG3 GLN 16 HG1 GLN 16 88.815 -5.447 -10.872 132 HE21 GLN 16 HE21 GLN 16 89.892 -3.705 -11.815 133 HE22 GLN 16 HE22 GLN 16 91.453 -3.188 -11.394 134 H CYS 17 H CYS 17 88.579 -6.243 -6.268 135 HA CYS 17 HA CYS 17 88.897 -9.034 -5.317 136 HB2 CYS 17 HB2 CYS 17 90.044 -6.883 -3.651 137 HB3 CYS 17 HB1 CYS 17 90.726 -8.440 -4.113 138 H HIS 18 H HSD 18 86.301 -8.019 -5.391 139 HA HIS 18 HA HSD 18 85.670 -8.095 -2.549 140 HB2 HIS 18 HB2 HSD 18 85.070 -5.696 -4.268 141 HB3 HIS 18 HB1 HSD 18 84.086 -6.087 -2.862 142 HD1 HIS 18 HD1 HSD 18 86.620 -7.193 -1.177 143 HD2 HIS 18 HD2 HSD 18 86.283 -3.464 -3.002 144 HE1 HIS 18 HE1 HSD 18 88.228 -5.653 0.032 145 H THR 19 H THR 19 83.088 -7.748 -2.416 146 HA THR 19 HA THR 19 81.825 -9.243 -4.627 147 HB THR 19 HB THR 19 80.660 -10.143 -2.195 148 HG1 THR 19 HG1 THR 19 82.903 -11.190 -1.664 149 HG21 THR 19 HG21 THR 19 82.517 -11.455 -4.197 150 HG22 THR 19 HG22 THR 19 80.753 -11.462 -4.230 151 HG23 THR 19 HG23 THR 19 81.615 -12.329 -2.960 152 H VAL 20 H VAL 20 81.454 -7.259 -1.738 153 HA VAL 20 HA VAL 20 79.719 -5.947 -0.985 154 HB VAL 20 HB VAL 20 79.056 -4.237 -2.560 155 HG11 VAL 20 HG11 VAL 20 81.385 -4.228 -1.680 156 HG12 VAL 20 HG12 VAL 20 81.271 -3.493 -3.279 157 HG13 VAL 20 HG13 VAL 20 81.903 -5.129 -3.104 158 HG21 VAL 20 HG21 VAL 20 80.377 -5.864 -4.734 159 HG22 VAL 20 HG22 VAL 20 79.406 -4.407 -4.911 160 HG23 VAL 20 HG23 VAL 20 78.640 -5.921 -4.444 161 H GLU 21 H GLU 21 78.877 -8.651 -1.658 162 HA GLU 21 HA GLU 21 76.035 -8.055 -2.194 163 HB2 GLU 21 HB2 GLU 21 75.781 -9.926 -3.631 164 HB3 GLU 21 HB3 GLU 21 77.219 -9.083 -4.202 165 HG2 GLU 21 HG2 GLU 21 78.479 -10.711 -2.564 166 HG3 GLU 21 HG3 GLU 21 77.016 -11.682 -2.711 167 H LYS 22 H LYS 22 75.027 -8.441 -0.349 168 HA LYS 22 HA LYS 22 75.936 -9.907 1.816 169 HB2 LYS 22 HB2 LYS 22 73.817 -8.330 1.443 170 HB3 LYS 22 HB3 LYS 22 72.996 -9.882 1.284 171 HG2 LYS 22 HG2 LYS 22 74.739 -9.052 3.627 172 HG3 LYS 22 HG3 LYS 22 72.976 -9.088 3.627 173 HD2 LYS 22 HD2 LYS 22 73.327 -11.593 2.856 174 HD3 LYS 22 HD3 LYS 22 74.917 -11.378 3.589 175 HE2 LYS 22 HE2 LYS 22 73.382 -12.266 5.261 176 HE3 LYS 22 HE3 LYS 22 73.806 -10.609 5.686 177 HZ1 LYS 22 HZ1 LYS 22 71.750 -9.830 5.089 178 HZ2 LYS 22 HZ2 LYS 22 71.338 -11.362 5.697 179 HZ3 LYS 22 HZ3 LYS 22 71.439 -11.109 4.019 180 H GLY 23 H GLY 23 76.183 -12.006 2.221 181 HA2 GLY 23 HA2 GLY 23 75.713 -14.286 2.228 182 HA3 GLY 23 HA3 GLY 23 74.411 -13.999 1.077 183 H GLY 24 H GLY 24 77.513 -12.647 0.389 184 HA2 GLY 24 HA2 GLY 24 77.790 -14.451 -1.908 185 HA3 GLY 24 HA3 GLY 24 78.651 -12.934 -1.660 186 H LYS 25 H LYS 25 80.708 -13.681 -1.913 187 HA LYS 25 HA LYS 25 81.813 -15.190 0.319 188 HB2 LYS 25 HB2 LYS 25 82.916 -16.847 -1.068 189 HB3 LYS 25 HB3 LYS 25 81.178 -16.923 -1.355 190 HG2 LYS 25 HG2 LYS 25 81.659 -15.253 -3.300 191 HG3 LYS 25 HG3 LYS 25 83.332 -15.782 -3.127 192 HD2 LYS 25 HD2 LYS 25 82.582 -17.332 -4.680 193 HD3 LYS 25 HD3 LYS 25 82.227 -18.198 -3.187 194 HE2 LYS 25 HE2 LYS 25 79.907 -17.171 -3.264 195 HE3 LYS 25 HE3 LYS 25 80.300 -16.591 -4.883 196 HZ1 LYS 25 HZ1 LYS 25 79.401 -19.122 -4.142 197 HZ2 LYS 25 HZ2 LYS 25 81.001 -19.303 -4.686 198 HZ3 LYS 25 HZ3 LYS 25 79.836 -18.582 -5.690 199 H HIS 26 H HIS 26 83.557 -14.121 0.954 200 HA HIS 26 HA HIS 26 84.670 -11.934 -0.343 201 HB2 HIS 26 HB2 HIS 26 86.727 -12.556 1.174 202 HB3 HIS 26 HB1 HIS 26 85.209 -12.044 1.910 203 HD1 HIS 26 HD1 HIS 26 86.520 -15.403 0.628 204 HD2 HIS 26 HD2 HIS 26 84.599 -13.782 3.954 205 HE1 HIS 26 HE1 HIS 26 86.118 -17.323 2.230 206 HE2 HIS 26 HE2 HIS 26 84.949 -16.351 4.263 207 H LYS 27 H LYS 27 85.839 -11.749 -2.103 208 HA LYS 27 HA LYS 27 87.477 -14.047 -3.008 209 HB2 LYS 27 HB2 LYS 27 85.983 -11.925 -4.556 210 HB3 LYS 27 HB3 LYS 27 87.244 -12.916 -5.290 211 HG2 LYS 27 HG2 LYS 27 85.953 -14.953 -4.461 212 HG3 LYS 27 HG3 LYS 27 84.634 -13.847 -4.077 213 HD2 LYS 27 HD2 LYS 27 84.596 -13.082 -6.428 214 HD3 LYS 27 HD3 LYS 27 85.895 -14.213 -6.809 215 HE2 LYS 27 HE2 LYS 27 84.518 -16.103 -6.397 216 HE3 LYS 27 HE3 LYS 27 83.301 -15.134 -5.566 217 HZ1 LYS 27 HZ1 LYS 27 83.943 -14.482 -8.349 218 HZ2 LYS 27 HZ2 LYS 27 82.475 -14.321 -7.510 219 HZ3 LYS 27 HZ3 LYS 27 82.988 -15.850 -8.047 220 H THR 28 H THR 28 89.410 -13.512 -2.046 221 HA THR 28 HA THR 28 91.418 -12.434 -1.770 222 HB THR 28 HB THR 28 90.664 -10.846 -4.231 223 HG1 THR 28 HG1 THR 28 90.760 -12.642 -5.272 224 HG21 THR 28 HG21 THR 28 92.680 -9.962 -3.483 225 HG22 THR 28 HG22 THR 28 93.259 -11.273 -4.509 226 HG23 THR 28 HG23 THR 28 93.202 -11.484 -2.761 227 H GLY 29 H GLY 29 88.893 -11.369 -0.643 228 HA2 GLY 29 HA2 GLY 29 89.842 -9.134 0.700 229 HA3 GLY 29 HA3 GLY 29 88.933 -8.524 -0.680 230 HA PRO 30 HA PRO 30 86.160 -10.034 2.958 231 HB2 PRO 30 HB2 PRO 30 85.743 -7.654 4.265 232 HB3 PRO 30 HB1 PRO 30 87.010 -8.811 4.713 233 HG2 PRO 30 HG2 PRO 30 87.217 -6.307 3.110 234 HG3 PRO 30 HG1 PRO 30 88.321 -6.958 4.334 235 HD2 PRO 30 HD2 PRO 30 88.806 -7.191 1.661 236 HD3 PRO 30 HD1 PRO 30 89.346 -8.406 2.840 237 H ASN 31 H ASN 31 83.892 -9.200 3.392 238 HA ASN 31 HA ASN 31 82.799 -8.056 0.905 239 HB2 ASN 31 HB2 ASN 31 80.682 -8.999 1.602 240 HB3 ASN 31 HB1 ASN 31 81.923 -10.245 1.720 241 HD21 ASN 31 HD21 ASN 31 82.256 -11.199 3.764 242 HD22 ASN 31 HD22 ASN 31 81.503 -10.669 5.189 243 H LEU 32 H LEU 32 81.983 -6.081 0.846 244 HA LEU 32 HA LEU 32 82.026 -4.418 3.207 245 HB2 LEU 32 HB2 LEU 32 80.905 -3.620 0.527 246 HB3 LEU 32 HB3 LEU 32 81.646 -2.598 1.757 247 HG LEU 32 HG LEU 32 83.013 -4.608 -0.048 248 HD11 LEU 32 HD11 LEU 32 83.170 -1.616 0.375 249 HD12 LEU 32 HD12 LEU 32 82.812 -2.491 -1.113 250 HD13 LEU 32 HD13 LEU 32 84.445 -2.510 -0.453 251 HD21 LEU 32 HD21 LEU 32 84.045 -4.969 2.067 252 HD22 LEU 32 HD22 LEU 32 83.981 -3.256 2.476 253 HD23 LEU 32 HD23 LEU 32 85.099 -3.825 1.238 254 H HIS 33 H HIS 33 80.137 -6.616 3.276 255 HA HIS 33 HA HIS 33 77.492 -5.833 2.719 256 HB2 HIS 33 HB2 HIS 33 78.535 -7.634 4.922 257 HB3 HIS 33 HB1 HIS 33 76.849 -7.518 4.422 258 HD1 HIS 33 HD1 HIS 33 78.442 -10.180 4.158 259 HD2 HIS 33 HD2 HIS 33 77.995 -7.406 1.078 260 HE1 HIS 33 HE1 HIS 33 78.780 -11.451 1.995 261 HE2 HIS 33 HE2 HIS 33 78.511 -9.777 0.107 262 H GLY 34 H GLY 34 75.975 -4.676 3.870 263 HA2 GLY 34 HA2 GLY 34 75.397 -2.819 5.172 264 HA3 GLY 34 HA3 GLY 34 75.717 -3.990 6.450 265 H LEU 35 H LEU 35 78.188 -2.805 4.301 266 HA LEU 35 HA LEU 35 80.115 -2.223 6.154 267 HB2 LEU 35 HB2 LEU 35 80.553 -2.267 3.768 268 HB3 LEU 35 HB3 LEU 35 79.543 -0.848 3.521 269 HG LEU 35 HG LEU 35 81.255 0.185 5.327 270 HD11 LEU 35 HD11 LEU 35 83.028 -1.684 3.763 271 HD12 LEU 35 HD12 LEU 35 82.428 -2.108 5.364 272 HD13 LEU 35 HD13 LEU 35 83.451 -0.688 5.153 273 HD21 LEU 35 HD21 LEU 35 82.034 -0.137 2.421 274 HD22 LEU 35 HD22 LEU 35 82.410 1.217 3.487 275 HD23 LEU 35 HD23 LEU 35 80.749 0.943 2.962 276 H PHE 36 H PHE 36 77.951 0.196 4.687 277 HA PHE 36 HA PHE 36 78.726 2.392 6.185 278 HB2 PHE 36 HB2 PHE 36 75.890 1.851 5.289 279 HB3 PHE 36 HB1 PHE 36 76.655 3.419 5.539 280 HD1 PHE 36 HD2 PHE 36 76.695 0.357 3.418 281 HD2 PHE 36 HD1 PHE 36 78.017 4.427 3.843 282 HE1 PHE 36 HE2 PHE 36 77.510 0.342 1.077 283 HE2 PHE 36 HE1 PHE 36 78.821 4.408 1.508 284 HZ PHE 36 HZ PHE 36 78.570 2.368 0.119 285 H GLY 37 H GLY 37 79.089 1.896 8.371 286 HA2 GLY 37 HA2 GLY 37 77.555 2.574 10.347 287 HA3 GLY 37 HA3 GLY 37 76.738 1.072 9.952 288 H ARG 38 H ARG 38 79.361 -0.238 9.259 289 HA ARG 38 HA ARG 38 79.996 -1.037 11.993 290 HB2 ARG 38 HB2 ARG 38 80.347 -2.184 9.293 291 HB3 ARG 38 HB3 ARG 38 81.650 -2.534 10.427 292 HG2 ARG 38 HG2 ARG 38 79.811 -3.222 12.087 293 HG3 ARG 38 HG3 ARG 38 78.712 -3.192 10.708 294 HD2 ARG 38 HD2 ARG 38 81.285 -4.702 10.439 295 HD3 ARG 38 HD3 ARG 38 79.996 -5.420 11.393 296 HE ARG 38 HE ARG 38 78.570 -5.032 9.307 297 HH11 ARG 38 HH21 ARG 38 82.010 -5.569 9.211 298 HH12 ARG 38 HH22 ARG 38 81.981 -6.256 7.623 299 HH21 ARG 38 HH11 ARG 38 78.556 -5.949 7.245 300 HH22 ARG 38 HH12 ARG 38 80.037 -6.478 6.519 301 H LYS 39 H LYS 39 82.020 -0.984 12.943 302 HA LYS 39 HA LYS 39 83.635 1.283 12.362 303 HB2 LYS 39 HB2 LYS 39 83.853 -1.032 14.262 304 HB3 LYS 39 HB3 LYS 39 85.191 0.102 14.081 305 HG2 LYS 39 HG2 LYS 39 82.440 1.221 14.486 306 HG3 LYS 39 HG3 LYS 39 83.267 0.524 15.877 307 HD2 LYS 39 HD2 LYS 39 85.194 2.003 15.505 308 HD3 LYS 39 HD3 LYS 39 84.413 2.679 14.076 309 HE2 LYS 39 HE2 LYS 39 82.455 3.274 15.645 310 HE3 LYS 39 HE3 LYS 39 83.582 2.956 16.964 311 HZ1 LYS 39 HZ1 LYS 39 84.600 4.879 16.609 312 HZ2 LYS 39 HZ2 LYS 39 83.330 5.293 15.561 313 HZ3 LYS 39 HZ3 LYS 39 84.750 4.592 14.945 314 H THR 40 H THR 40 86.076 1.079 12.135 315 HA THR 40 HA THR 40 86.678 -0.237 9.703 316 HB THR 40 HB THR 40 89.074 0.404 10.327 317 HG1 THR 40 HG1 THR 40 87.772 1.871 12.350 318 HG21 THR 40 HG21 THR 40 87.764 1.824 8.883 319 HG22 THR 40 HG22 THR 40 88.553 2.855 10.076 320 HG23 THR 40 HG23 THR 40 86.847 2.450 10.253 321 H GLY 41 H GLY 41 87.988 -2.002 9.258 322 HA2 GLY 41 HA2 GLY 41 88.584 -4.209 9.554 323 HA3 GLY 41 HA3 GLY 41 89.506 -3.563 10.909 324 H GLN 42 H GLN 42 86.022 -3.987 10.318 325 HA GLN 42 HA GLN 42 85.860 -5.449 12.890 326 HB2 GLN 42 HB2 GLN 42 84.670 -3.266 12.851 327 HB3 GLN 42 HB1 GLN 42 83.684 -3.859 11.513 328 HG2 GLN 42 HG2 GLN 42 82.644 -5.506 12.851 329 HG3 GLN 42 HG1 GLN 42 83.883 -5.400 14.099 330 HE21 GLN 42 HE21 GLN 42 81.786 -2.945 12.469 331 HE22 GLN 42 HE22 GLN 42 81.235 -2.255 13.918 332 H ALA 43 H ALA 43 85.624 -5.780 9.548 333 HA ALA 43 HA ALA 43 83.475 -7.665 9.434 334 HB1 ALA 43 HB1 ALA 43 85.432 -6.515 7.582 335 HB2 ALA 43 HB2 ALA 43 83.755 -6.975 7.304 336 HB3 ALA 43 HB3 ALA 43 85.026 -8.193 7.223 337 HA PRO 44 HA PRO 44 86.075 -10.973 11.055 338 HB2 PRO 44 HB2 PRO 44 84.126 -12.817 11.403 339 HB3 PRO 44 HB1 PRO 44 84.286 -11.408 12.473 340 HG2 PRO 44 HG2 PRO 44 82.403 -11.855 10.205 341 HG3 PRO 44 HG1 PRO 44 82.109 -11.111 11.785 342 HD2 PRO 44 HD2 PRO 44 82.540 -9.676 9.464 343 HD3 PRO 44 HD1 PRO 44 82.856 -9.046 11.097 344 H GLY 45 H GLY 45 87.371 -12.019 9.640 345 HA2 GLY 45 HA2 GLY 45 86.875 -14.268 8.241 346 HA3 GLY 45 HA3 GLY 45 86.352 -13.020 7.113 347 H PHE 46 H PHE 46 87.959 -11.295 6.621 348 HA PHE 46 HA PHE 46 90.495 -12.499 5.972 349 HB2 PHE 46 HB2 PHE 46 89.055 -10.718 4.651 350 HB3 PHE 46 HB1 PHE 46 89.964 -9.569 5.632 351 HD1 PHE 46 HD2 PHE 46 92.476 -9.571 5.550 352 HD2 PHE 46 HD1 PHE 46 90.089 -11.920 2.859 353 HE1 PHE 46 HE2 PHE 46 94.431 -9.840 4.048 354 HE2 PHE 46 HE1 PHE 46 92.045 -12.189 1.359 355 HZ PHE 46 HZ PHE 46 94.217 -11.149 1.953 356 H THR 47 H THR 47 92.565 -11.680 6.594 357 HA THR 47 HA THR 47 92.702 -10.972 9.380 358 HB THR 47 HB THR 47 94.950 -11.119 7.364 359 HG1 THR 47 HG1 THR 47 95.140 -13.264 8.292 360 HG21 THR 47 HG21 THR 47 94.809 -11.217 10.385 361 HG22 THR 47 HG22 THR 47 95.650 -10.029 9.387 362 HG23 THR 47 HG23 THR 47 96.239 -11.690 9.467 363 H TYR 48 H TYR 48 91.610 -8.915 9.320 364 HA TYR 48 HA TYR 48 92.442 -6.703 7.796 365 HB2 TYR 48 HB2 TYR 48 90.872 -7.097 10.302 366 HB3 TYR 48 HB3 TYR 48 91.454 -5.471 9.957 367 HD1 TYR 48 HD1 TYR 48 90.783 -4.306 7.886 368 HD2 TYR 48 HD2 TYR 48 89.155 -8.132 8.951 369 HE1 TYR 48 HE1 TYR 48 88.951 -3.976 6.253 370 HE2 TYR 48 HE2 TYR 48 87.321 -7.804 7.315 371 HH TYR 48 HH TYR 48 86.658 -4.785 5.902 372 H THR 49 H THR 49 93.676 -4.857 8.413 373 HA THR 49 HA THR 49 96.080 -5.563 9.874 374 HB THR 49 HB THR 49 96.886 -3.357 9.156 375 HG1 THR 49 HG1 THR 49 94.297 -3.077 8.039 376 HG21 THR 49 HG21 THR 49 95.914 -5.453 7.395 377 HG22 THR 49 HG22 THR 49 97.388 -4.493 7.270 378 HG23 THR 49 HG23 THR 49 95.881 -3.888 6.585 379 H ASP 50 H ASP 50 96.973 -4.170 11.566 380 HA ASP 50 HA ASP 50 95.234 -3.829 13.736 381 HB2 ASP 50 HB2 ASP 50 97.814 -2.308 13.400 382 HB3 ASP 50 HB1 ASP 50 97.071 -2.882 14.892 383 H ALA 51 H ALA 51 96.521 -1.453 11.431 384 HA ALA 51 HA ALA 51 95.503 0.876 12.563 385 HB1 ALA 51 HB1 ALA 51 95.609 0.322 9.596 386 HB2 ALA 51 HB2 ALA 51 97.039 0.687 10.562 387 HB3 ALA 51 HB3 ALA 51 95.750 1.881 10.409 388 H ASN 52 H ASN 52 93.931 -1.484 10.450 389 HA ASN 52 HA ASN 52 91.463 0.032 10.325 390 HB2 ASN 52 HB2 ASN 52 92.567 -2.421 9.114 391 HB3 ASN 52 HB1 ASN 52 90.841 -2.499 9.448 392 HD21 ASN 52 HD21 ASN 52 90.345 -2.398 7.135 393 HD22 ASN 52 HD22 ASN 52 90.503 -0.941 6.277 394 H LYS 53 H LYS 53 92.842 -2.508 12.256 395 HA LYS 53 HA LYS 53 90.310 -3.234 13.484 396 HB2 LYS 53 HB2 LYS 53 91.554 -5.138 13.569 397 HB3 LYS 53 HB3 LYS 53 93.072 -4.261 13.446 398 HG2 LYS 53 HG2 LYS 53 92.964 -3.688 15.834 399 HG3 LYS 53 HG3 LYS 53 91.402 -4.500 15.967 400 HD2 LYS 53 HD2 LYS 53 92.619 -6.588 15.068 401 HD3 LYS 53 HD3 LYS 53 94.110 -5.722 15.436 402 HE2 LYS 53 HE2 LYS 53 93.380 -5.458 17.780 403 HE3 LYS 53 HE3 LYS 53 91.894 -6.334 17.413 404 HZ1 LYS 53 HZ1 LYS 53 93.079 -8.114 18.021 405 HZ2 LYS 53 HZ2 LYS 53 94.574 -7.332 17.818 406 HZ3 LYS 53 HZ3 LYS 53 93.773 -8.006 16.478 407 H ASN 54 H ASN 54 92.581 -0.799 13.778 408 HA ASN 54 HA ASN 54 92.687 -0.416 16.583 409 HB2 ASN 54 HB2 ASN 54 93.758 1.568 16.089 410 HB3 ASN 54 HB1 ASN 54 94.044 0.673 14.602 411 HD21 ASN 54 HD21 ASN 54 91.389 0.954 13.472 412 HD22 ASN 54 HD22 ASN 54 91.164 2.591 13.089 413 H LYS 55 H LYS 55 90.270 0.067 14.237 414 HA LYS 55 HA LYS 55 88.142 0.960 14.314 415 HB2 LYS 55 HB2 LYS 55 88.534 0.569 17.290 416 HB3 LYS 55 HB3 LYS 55 86.989 0.828 16.481 417 HG2 LYS 55 HG2 LYS 55 86.949 -1.292 15.563 418 HG3 LYS 55 HG3 LYS 55 88.707 -1.400 15.467 419 HD2 LYS 55 HD2 LYS 55 87.855 -2.935 17.183 420 HD3 LYS 55 HD3 LYS 55 88.816 -1.659 17.929 421 HE2 LYS 55 HE2 LYS 55 86.784 -0.435 18.528 422 HE3 LYS 55 HE3 LYS 55 85.791 -1.638 17.706 423 HZ1 LYS 55 HZ1 LYS 55 87.553 -2.880 19.546 424 HZ2 LYS 55 HZ2 LYS 55 85.856 -2.936 19.482 425 HZ3 LYS 55 HZ3 LYS 55 86.636 -1.688 20.331 426 H GLY 56 H GLY 56 89.588 2.951 13.705 427 HA2 GLY 56 HA2 GLY 56 89.610 5.035 15.746 428 HA3 GLY 56 HA3 GLY 56 90.254 5.165 14.112 429 H ILE 57 H ILE 57 87.979 4.326 12.675 430 HA ILE 57 HA ILE 57 85.888 6.267 13.420 431 HB ILE 57 HB ILE 57 85.790 7.153 11.166 432 HG12 ILE 57 HG12 ILE 57 87.931 6.447 9.720 433 HG13 ILE 57 HG13 ILE 57 87.783 4.964 10.660 434 HG21 ILE 57 HG21 ILE 57 88.632 7.143 12.223 435 HG22 ILE 57 HG22 ILE 57 87.340 8.210 12.772 436 HG23 ILE 57 HG23 ILE 57 87.946 8.337 11.121 437 HD11 ILE 57 HD11 ILE 57 86.500 5.224 8.363 438 HD12 ILE 57 HD12 ILE 57 85.326 6.092 9.346 439 HD13 ILE 57 HD13 ILE 57 85.724 4.416 9.719 440 H THR 58 H THR 58 84.067 6.006 11.587 441 HA THR 58 HA THR 58 83.600 3.099 11.286 442 HB THR 58 HB THR 58 81.630 5.281 11.986 443 HG1 THR 58 HG1 THR 58 82.425 2.918 13.336 444 HG21 THR 58 HG21 THR 58 80.503 3.805 10.480 445 HG22 THR 58 HG22 THR 58 80.028 3.304 12.103 446 HG23 THR 58 HG23 THR 58 81.244 2.386 11.217 447 H TRP 59 H TRP 59 82.791 2.365 9.375 448 HA TRP 59 HA TRP 59 83.171 3.934 7.053 449 HB2 TRP 59 HB2 TRP 59 81.399 1.496 7.191 450 HB3 TRP 59 HB1 TRP 59 82.335 2.093 5.820 451 HD1 TRP 59 HD1 TRP 59 85.109 2.549 7.193 452 HE1 TRP 59 HE1 TRP 59 86.523 0.522 7.952 453 HE3 TRP 59 HE3 TRP 59 81.465 -1.008 7.565 454 HZ2 TRP 59 HZ2 TRP 59 86.146 -2.215 8.663 455 HZ3 TRP 59 HZ3 TRP 59 82.023 -3.314 8.277 456 HH2 TRP 59 HH2 TRP 59 84.358 -3.919 8.826 457 H LYS 60 H LYS 60 81.803 5.139 5.854 458 HA LYS 60 HA LYS 60 78.934 5.073 6.273 459 HB2 LYS 60 HB2 LYS 60 80.602 7.474 7.058 460 HB3 LYS 60 HB3 LYS 60 78.865 7.551 6.769 461 HG2 LYS 60 HG2 LYS 60 78.650 5.651 8.480 462 HG3 LYS 60 HG3 LYS 60 80.325 5.995 8.910 463 HD2 LYS 60 HD2 LYS 60 78.201 8.148 8.866 464 HD3 LYS 60 HD3 LYS 60 78.536 7.183 10.303 465 HE2 LYS 60 HE2 LYS 60 80.955 7.872 10.107 466 HE3 LYS 60 HE3 LYS 60 80.474 8.981 8.822 467 HZ1 LYS 60 HZ1 LYS 60 79.955 10.434 10.390 468 HZ2 LYS 60 HZ2 LYS 60 80.263 9.307 11.623 469 HZ3 LYS 60 HZ3 LYS 60 78.720 9.400 10.918 470 H GLU 61 H GLU 61 78.346 7.535 5.039 471 HA GLU 61 HA GLU 61 78.930 6.854 2.307 472 HB2 GLU 61 HB2 GLU 61 76.759 7.865 3.173 473 HB3 GLU 61 HB3 GLU 61 77.629 9.395 3.287 474 HG2 GLU 61 HG2 GLU 61 78.291 9.030 0.840 475 HG3 GLU 61 HG3 GLU 61 77.075 7.754 0.812 476 H GLU 62 H GLU 62 79.531 9.808 4.235 477 HA GLU 62 HA GLU 62 81.324 10.913 2.311 478 HB2 GLU 62 HB2 GLU 62 80.964 11.590 5.240 479 HB3 GLU 62 HB3 GLU 62 81.822 12.576 4.055 480 HG2 GLU 62 HG2 GLU 62 79.777 12.852 2.750 481 HG3 GLU 62 HG3 GLU 62 78.904 11.782 3.847 482 H THR 63 H THR 63 81.773 9.085 5.310 483 HA THR 63 HA THR 63 84.548 9.343 5.557 484 HB THR 63 HB THR 63 84.459 7.244 6.829 485 HG1 THR 63 HG1 THR 63 82.783 6.456 5.202 486 HG21 THR 63 HG21 THR 63 82.198 9.202 7.210 487 HG22 THR 63 HG22 THR 63 83.739 9.134 8.066 488 HG23 THR 63 HG23 THR 63 82.514 7.899 8.354 489 H LEU 64 H LEU 64 82.574 7.203 3.579 490 HA LEU 64 HA LEU 64 84.716 5.577 2.657 491 HB2 LEU 64 HB2 LEU 64 81.870 5.879 2.080 492 HB3 LEU 64 HB3 LEU 64 82.810 5.539 0.635 493 HG LEU 64 HG LEU 64 83.107 3.921 3.175 494 HD11 LEU 64 HD11 LEU 64 80.998 3.192 2.736 495 HD12 LEU 64 HD12 LEU 64 81.755 2.300 1.417 496 HD13 LEU 64 HD13 LEU 64 80.999 3.860 1.106 497 HD21 LEU 64 HD21 LEU 64 84.020 3.668 0.306 498 HD22 LEU 64 HD22 LEU 64 83.860 2.237 1.322 499 HD23 LEU 64 HD23 LEU 64 84.971 3.523 1.784 500 H MET 65 H MET 65 83.283 8.609 1.553 501 HA MET 65 HA MET 65 84.437 8.760 -0.989 502 HB2 MET 65 HB2 MET 65 83.906 11.005 0.969 503 HB3 MET 65 HB1 MET 65 84.257 11.219 -0.744 504 HG2 MET 65 HG2 MET 65 82.269 9.996 -1.371 505 HG3 MET 65 HG1 MET 65 81.957 9.560 0.308 506 HE1 MET 65 HE1 MET 65 81.985 12.271 -2.406 507 HE2 MET 65 HE2 MET 65 80.487 13.077 -1.947 508 HE3 MET 65 HE3 MET 65 80.488 11.341 -2.251 509 H GLU 66 H GLU 66 85.716 10.163 2.042 510 HA GLU 66 HA GLU 66 88.189 10.966 0.963 511 HB2 GLU 66 HB2 GLU 66 87.468 10.178 3.799 512 HB3 GLU 66 HB3 GLU 66 88.973 10.970 3.333 513 HG2 GLU 66 HG2 GLU 66 86.202 12.095 2.828 514 HG3 GLU 66 HG3 GLU 66 87.263 12.589 4.146 515 H TYR 67 H TYR 67 87.017 7.894 2.113 516 HA TYR 67 HA TYR 67 89.619 6.641 2.225 517 HB2 TYR 67 HB2 TYR 67 87.780 5.835 3.635 518 HB3 TYR 67 HB3 TYR 67 86.835 5.458 2.198 519 HD1 TYR 67 HD1 TYR 67 89.889 4.576 4.106 520 HD2 TYR 67 HD2 TYR 67 87.238 3.481 0.906 521 HE1 TYR 67 HE1 TYR 67 90.974 2.349 3.967 522 HE2 TYR 67 HE2 TYR 67 88.327 1.256 0.767 523 HH TYR 67 HH TYR 67 90.519 0.241 1.356 524 H LEU 68 H LEU 68 87.135 7.164 -0.146 525 HA LEU 68 HA LEU 68 88.079 5.143 -1.975 526 HB2 LEU 68 HB2 LEU 68 85.886 7.138 -1.894 527 HB3 LEU 68 HB3 LEU 68 86.475 6.715 -3.498 528 HG LEU 68 HG LEU 68 85.674 4.666 -1.414 529 HD11 LEU 68 HD11 LEU 68 84.090 6.063 -3.563 530 HD12 LEU 68 HD12 LEU 68 83.640 5.710 -1.896 531 HD13 LEU 68 HD13 LEU 68 83.682 4.413 -3.087 532 HD21 LEU 68 HD21 LEU 68 86.603 4.584 -4.258 533 HD22 LEU 68 HD22 LEU 68 85.401 3.408 -3.742 534 HD23 LEU 68 HD23 LEU 68 86.959 3.487 -2.928 535 H GLU 69 H GLU 69 88.849 8.447 -1.304 536 HA GLU 69 HA GLU 69 90.222 8.739 -3.897 537 HB2 GLU 69 HB2 GLU 69 90.344 11.067 -3.455 538 HB3 GLU 69 HB3 GLU 69 88.729 10.575 -2.959 539 HG2 GLU 69 HG2 GLU 69 89.273 11.703 -1.044 540 HG3 GLU 69 HG3 GLU 69 90.048 10.179 -0.631 541 H ASN 70 H ASN 70 90.810 7.649 -0.827 542 HA ASN 70 HA ASN 70 93.606 7.386 -1.238 543 HB2 ASN 70 HB2 ASN 70 94.447 8.824 0.531 544 HB3 ASN 70 HB1 ASN 70 93.574 9.792 -0.651 545 HD21 ASN 70 HD21 ASN 70 93.416 8.484 2.652 546 HD22 ASN 70 HD22 ASN 70 92.128 9.468 3.155 547 HA PRO 71 HA PRO 71 91.289 4.466 1.610 548 HB2 PRO 71 HB2 PRO 71 93.085 2.608 0.125 549 HB3 PRO 71 HB1 PRO 71 91.363 2.444 0.513 550 HG2 PRO 71 HG2 PRO 71 92.207 3.040 -1.952 551 HG3 PRO 71 HG1 PRO 71 90.698 3.691 -1.292 552 HD2 PRO 71 HD2 PRO 71 93.313 5.068 -1.722 553 HD3 PRO 71 HD1 PRO 71 91.663 5.730 -1.775 554 H LYS 72 H LYS 72 94.723 4.662 0.729 555 HA LYS 72 HA LYS 72 95.601 3.357 3.150 556 HB2 LYS 72 HB2 LYS 72 96.833 3.190 1.003 557 HB3 LYS 72 HB3 LYS 72 97.205 4.909 1.112 558 HG2 LYS 72 HG2 LYS 72 99.116 3.986 2.076 559 HG3 LYS 72 HG3 LYS 72 98.125 4.261 3.505 560 HD2 LYS 72 HD2 LYS 72 98.833 2.043 3.799 561 HD3 LYS 72 HD3 LYS 72 97.244 1.838 3.068 562 HE2 LYS 72 HE2 LYS 72 98.507 0.420 1.735 563 HE3 LYS 72 HE3 LYS 72 98.628 1.913 0.807 564 HZ1 LYS 72 HZ1 LYS 72 100.658 2.234 2.475 565 HZ2 LYS 72 HZ2 LYS 72 100.815 1.463 0.969 566 HZ3 LYS 72 HZ3 LYS 72 100.648 0.540 2.386 567 H LYS 73 H LYS 73 95.761 6.695 1.886 568 HA LYS 73 HA LYS 73 97.119 7.788 4.075 569 HB2 LYS 73 HB2 LYS 73 96.437 8.802 1.722 570 HB3 LYS 73 HB3 LYS 73 95.086 9.451 2.649 571 HG2 LYS 73 HG2 LYS 73 96.647 10.479 4.243 572 HG3 LYS 73 HG3 LYS 73 98.013 9.796 3.362 573 HD2 LYS 73 HD2 LYS 73 97.705 12.120 2.685 574 HD3 LYS 73 HD3 LYS 73 97.299 11.060 1.336 575 HE2 LYS 73 HE2 LYS 73 95.017 11.480 1.516 576 HE3 LYS 73 HE3 LYS 73 95.121 11.897 3.226 577 HZ1 LYS 73 HZ1 LYS 73 94.947 13.685 1.243 578 HZ2 LYS 73 HZ2 LYS 73 96.632 13.615 1.459 579 HZ3 LYS 73 HZ3 LYS 73 95.621 14.014 2.764 580 H TYR 74 H TYR 74 93.684 7.139 3.610 581 HA TYR 74 HA TYR 74 92.758 8.669 5.814 582 HB2 TYR 74 HB2 TYR 74 91.495 7.408 3.809 583 HB3 TYR 74 HB3 TYR 74 91.303 6.178 5.058 584 HD1 TYR 74 HD1 TYR 74 91.101 9.927 4.773 585 HD2 TYR 74 HD2 TYR 74 89.370 6.326 6.355 586 HE1 TYR 74 HE1 TYR 74 89.271 11.253 5.791 587 HE2 TYR 74 HE2 TYR 74 87.542 7.654 7.374 588 HH TYR 74 HH TYR 74 86.436 9.928 6.892 589 H ILE 75 H ILE 75 93.275 5.147 5.513 590 HA ILE 75 HA ILE 75 93.871 5.076 8.413 591 HB ILE 75 HB ILE 75 92.381 2.923 6.895 592 HG12 ILE 75 HG12 ILE 75 91.209 4.815 8.943 593 HG13 ILE 75 HG13 ILE 75 91.168 5.182 7.220 594 HG21 ILE 75 HG21 ILE 75 93.569 2.041 8.801 595 HG22 ILE 75 HG22 ILE 75 91.875 2.194 9.270 596 HG23 ILE 75 HG23 ILE 75 93.053 3.388 9.815 597 HD11 ILE 75 HD11 ILE 75 89.889 3.209 6.740 598 HD12 ILE 75 HD12 ILE 75 89.109 3.995 8.112 599 HD13 ILE 75 HD13 ILE 75 90.134 2.583 8.371 600 HA PRO 76 HA PRO 76 97.444 3.602 5.690 601 HB2 PRO 76 HB2 PRO 76 98.643 4.395 8.326 602 HB3 PRO 76 HB1 PRO 76 99.284 4.621 6.686 603 HG2 PRO 76 HG2 PRO 76 98.145 6.627 8.025 604 HG3 PRO 76 HG1 PRO 76 97.955 6.449 6.272 605 HD2 PRO 76 HD2 PRO 76 95.957 6.002 8.424 606 HD3 PRO 76 HD1 PRO 76 95.700 6.387 6.709 607 H GLY 77 H GLY 77 98.140 1.526 5.691 608 HA2 GLY 77 HA2 GLY 77 99.081 -0.369 6.925 609 HA3 GLY 77 HA3 GLY 77 97.898 -0.049 8.190 610 H THR 78 H THR 78 95.728 0.491 6.319 611 HA THR 78 HA THR 78 94.568 -2.035 6.122 612 HB THR 78 HB THR 78 93.258 0.024 6.025 613 HG1 THR 78 HG1 THR 78 92.567 -1.964 4.951 614 HG21 THR 78 HG21 THR 78 94.958 1.283 4.682 615 HG22 THR 78 HG22 THR 78 93.308 1.457 4.081 616 HG23 THR 78 HG23 THR 78 94.436 0.376 3.263 617 H LYS 79 H LYS 79 94.546 -3.622 4.593 618 HA LYS 79 HA LYS 79 96.619 -3.516 2.563 619 HB2 LYS 79 HB2 LYS 79 94.619 -5.674 3.270 620 HB3 LYS 79 HB3 LYS 79 95.924 -5.854 2.098 621 HG2 LYS 79 HG2 LYS 79 97.414 -4.997 4.131 622 HG3 LYS 79 HG3 LYS 79 96.072 -5.629 5.083 623 HD2 LYS 79 HD2 LYS 79 96.296 -7.783 3.747 624 HD3 LYS 79 HD3 LYS 79 97.812 -7.133 3.120 625 HE2 LYS 79 HE2 LYS 79 98.721 -6.949 5.370 626 HE3 LYS 79 HE3 LYS 79 97.181 -7.449 6.068 627 HZ1 LYS 79 HZ1 LYS 79 97.758 -9.417 4.284 628 HZ2 LYS 79 HZ2 LYS 79 97.997 -9.500 5.964 629 HZ3 LYS 79 HZ3 LYS 79 99.276 -9.044 4.942 630 H MET 80 H MET 80 95.921 -1.980 1.058 631 HA MET 80 HA MET 80 94.290 -2.964 -1.038 632 HB2 MET 80 HB2 MET 80 92.436 -2.431 0.457 633 HB3 MET 80 HB1 MET 80 93.050 -0.790 0.664 634 HG2 MET 80 HG2 MET 80 92.610 -0.222 -1.602 635 HG3 MET 80 HG1 MET 80 92.392 -1.909 -2.064 636 HE1 MET 80 HE1 MET 80 90.569 0.338 -2.883 637 HE2 MET 80 HE2 MET 80 90.586 1.297 -1.405 638 HE3 MET 80 HE3 MET 80 89.072 0.601 -1.978 639 H ILE 81 H ILE 81 95.966 -2.345 -2.353 640 HA ILE 81 HA ILE 81 96.289 0.567 -2.755 641 HB ILE 81 HB ILE 81 98.455 -1.551 -2.839 642 HG12 ILE 81 HG12 ILE 81 99.464 0.123 -1.150 643 HG13 ILE 81 HG13 ILE 81 97.842 0.801 -1.040 644 HG21 ILE 81 HG21 ILE 81 98.906 -0.067 -4.645 645 HG22 ILE 81 HG22 ILE 81 99.897 0.520 -3.309 646 HG23 ILE 81 HG23 ILE 81 98.390 1.341 -3.717 647 HD11 ILE 81 HD11 ILE 81 97.706 -2.081 -0.807 648 HD12 ILE 81 HD12 ILE 81 97.199 -0.848 0.344 649 HD13 ILE 81 HD13 ILE 81 98.859 -1.434 0.359 650 H PHE 82 H PHE 82 94.983 0.722 -4.540 651 HA PHE 82 HA PHE 82 95.897 -0.741 -6.939 652 HB2 PHE 82 HB2 PHE 82 93.878 -1.866 -6.164 653 HB3 PHE 82 HB1 PHE 82 93.021 -0.328 -6.087 654 HD1 PHE 82 HD1 PHE 82 95.024 -2.387 -8.501 655 HD2 PHE 82 HD2 PHE 82 91.749 0.336 -7.936 656 HE1 PHE 82 HE1 PHE 82 94.428 -2.605 -10.898 657 HE2 PHE 82 HE2 PHE 82 91.154 0.117 -10.333 658 HZ PHE 82 HZ PHE 82 92.493 -1.353 -11.814 659 H ALA 83 H ALA 83 93.286 1.595 -6.304 660 HA ALA 83 HA ALA 83 94.659 3.840 -7.378 661 HB1 ALA 83 HB1 ALA 83 92.819 2.322 -9.234 662 HB2 ALA 83 HB2 ALA 83 94.503 2.770 -9.512 663 HB3 ALA 83 HB3 ALA 83 93.252 4.014 -9.479 664 H GLY 84 H GLY 84 93.742 5.418 -6.248 665 HA2 GLY 84 HA2 GLY 84 91.138 5.197 -5.086 666 HA3 GLY 84 HA3 GLY 84 92.175 6.621 -5.052 667 H ILE 85 H ILE 85 89.726 7.344 -5.320 668 HA ILE 85 HA ILE 85 88.922 7.414 -8.141 669 HB ILE 85 HB ILE 85 87.600 8.406 -5.610 670 HG12 ILE 85 HG12 ILE 85 87.800 5.858 -6.337 671 HG13 ILE 85 HG13 ILE 85 86.283 6.488 -5.707 672 HG21 ILE 85 HG21 ILE 85 85.600 8.630 -7.233 673 HG22 ILE 85 HG22 ILE 85 86.812 8.633 -8.513 674 HG23 ILE 85 HG23 ILE 85 86.831 9.892 -7.279 675 HD11 ILE 85 HD11 ILE 85 86.853 6.546 -8.665 676 HD12 ILE 85 HD12 ILE 85 85.297 6.607 -7.840 677 HD13 ILE 85 HD13 ILE 85 86.205 5.097 -7.895 678 H LYS 86 H LYS 86 88.372 9.483 -9.155 679 HA LYS 86 HA LYS 86 90.284 11.581 -8.353 680 HB2 LYS 86 HB2 LYS 86 89.155 10.664 -10.957 681 HB3 LYS 86 HB3 LYS 86 89.571 12.371 -10.800 682 HG2 LYS 86 HG2 LYS 86 91.849 11.717 -10.035 683 HG3 LYS 86 HG3 LYS 86 91.425 10.024 -10.292 684 HD2 LYS 86 HD2 LYS 86 91.274 10.283 -12.629 685 HD3 LYS 86 HD3 LYS 86 91.119 12.037 -12.516 686 HE2 LYS 86 HE2 LYS 86 93.466 12.136 -11.642 687 HE3 LYS 86 HE3 LYS 86 93.605 10.402 -11.933 688 HZ1 LYS 86 HZ1 LYS 86 94.317 11.062 -13.938 689 HZ2 LYS 86 HZ2 LYS 86 93.610 12.602 -13.812 690 HZ3 LYS 86 HZ3 LYS 86 92.669 11.268 -14.284 691 H LYS 87 H LYS 87 87.144 11.605 -10.079 692 HA LYS 87 HA LYS 87 86.542 14.217 -9.004 693 HB2 LYS 87 HB2 LYS 87 84.652 12.435 -10.532 694 HB3 LYS 87 HB3 LYS 87 84.649 14.195 -10.428 695 HG2 LYS 87 HG2 LYS 87 86.920 14.174 -11.539 696 HG3 LYS 87 HG3 LYS 87 86.695 12.447 -11.817 697 HD2 LYS 87 HD2 LYS 87 84.473 13.074 -12.936 698 HD3 LYS 87 HD3 LYS 87 85.060 14.737 -12.920 699 HE2 LYS 87 HE2 LYS 87 86.256 12.355 -14.342 700 HE3 LYS 87 HE3 LYS 87 85.709 13.878 -15.041 701 HZ1 LYS 87 HZ1 LYS 87 88.085 13.415 -13.333 702 HZ2 LYS 87 HZ2 LYS 87 87.479 14.967 -13.666 703 HZ3 LYS 87 HZ3 LYS 87 88.047 13.984 -14.930 704 H LYS 88 H LYS 88 84.472 14.706 -7.958 705 HA LYS 88 HA LYS 88 84.102 13.094 -5.626 706 HB2 LYS 88 HB2 LYS 88 83.825 15.572 -5.661 707 HB3 LYS 88 HB3 LYS 88 82.377 15.363 -6.646 708 HG2 LYS 88 HG2 LYS 88 81.381 13.960 -4.849 709 HG3 LYS 88 HG3 LYS 88 82.809 14.249 -3.857 710 HD2 LYS 88 HD2 LYS 88 81.983 16.235 -3.165 711 HD3 LYS 88 HD3 LYS 88 81.796 16.777 -4.832 712 HE2 LYS 88 HE2 LYS 88 79.633 15.556 -4.960 713 HE3 LYS 88 HE3 LYS 88 79.813 15.099 -3.266 714 HZ1 LYS 88 HZ1 LYS 88 79.025 17.058 -2.654 715 HZ2 LYS 88 HZ2 LYS 88 78.740 17.446 -4.284 716 HZ3 LYS 88 HZ3 LYS 88 80.212 17.873 -3.550 717 H THR 89 H THR 89 81.947 13.901 -8.368 718 HA THR 89 HA THR 89 79.777 12.331 -7.668 719 HB THR 89 HB THR 89 79.303 12.175 -10.110 720 HG1 THR 89 HG1 THR 89 81.937 13.134 -10.159 721 HG21 THR 89 HG21 THR 89 78.606 14.152 -8.859 722 HG22 THR 89 HG22 THR 89 79.165 14.640 -10.459 723 HG23 THR 89 HG23 THR 89 80.206 14.869 -9.053 724 H GLU 90 H GLU 90 82.894 11.364 -8.866 725 HA GLU 90 HA GLU 90 82.164 8.746 -9.726 726 HB2 GLU 90 HB2 GLU 90 84.779 9.999 -8.890 727 HB3 GLU 90 HB3 GLU 90 84.661 8.298 -9.335 728 HG2 GLU 90 HG2 GLU 90 83.973 8.815 -11.546 729 HG3 GLU 90 HG3 GLU 90 83.609 10.487 -11.127 730 H ARG 91 H ARG 91 83.243 10.153 -6.679 731 HA ARG 91 HA ARG 91 83.326 7.641 -5.275 732 HB2 ARG 91 HB2 ARG 91 83.310 10.505 -4.278 733 HB3 ARG 91 HB3 ARG 91 83.587 9.089 -3.268 734 HG2 ARG 91 HG2 ARG 91 85.469 8.491 -4.907 735 HG3 ARG 91 HG3 ARG 91 85.305 10.134 -5.519 736 HD2 ARG 91 HD2 ARG 91 85.443 10.090 -2.602 737 HD3 ARG 91 HD3 ARG 91 86.850 9.329 -3.330 738 HE ARG 91 HE ARG 91 87.470 11.399 -4.221 739 HH11 ARG 91 HH21 ARG 91 84.280 11.492 -2.862 740 HH12 ARG 91 HH22 ARG 91 84.165 13.218 -2.916 741 HH21 ARG 91 HH11 ARG 91 87.313 13.660 -4.294 742 HH22 ARG 91 HH12 ARG 91 85.875 14.443 -3.728 743 H GLU 92 H GLU 92 81.101 10.428 -5.361 744 HA GLU 92 HA GLU 92 79.226 9.449 -3.508 745 HB2 GLU 92 HB2 GLU 92 79.321 11.787 -4.451 746 HB3 GLU 92 HB3 GLU 92 78.612 11.151 -5.935 747 HG2 GLU 92 HG2 GLU 92 76.677 10.309 -4.627 748 HG3 GLU 92 HG3 GLU 92 77.376 11.014 -3.170 749 H ASP 93 H ASP 93 79.204 9.283 -7.077 750 HA ASP 93 HA ASP 93 76.910 7.681 -7.330 751 HB2 ASP 93 HB2 ASP 93 79.349 7.820 -9.122 752 HB3 ASP 93 HB1 ASP 93 77.795 7.121 -9.570 753 H LEU 94 H LEU 94 80.352 6.776 -7.218 754 HA LEU 94 HA LEU 94 80.036 4.001 -7.416 755 HB2 LEU 94 HB2 LEU 94 82.229 5.059 -7.598 756 HB3 LEU 94 HB3 LEU 94 82.125 5.592 -5.922 757 HG LEU 94 HG LEU 94 82.107 3.288 -5.139 758 HD11 LEU 94 HD11 LEU 94 81.897 2.740 -8.086 759 HD12 LEU 94 HD12 LEU 94 80.984 2.032 -6.754 760 HD13 LEU 94 HD13 LEU 94 82.656 1.549 -7.031 761 HD21 LEU 94 HD21 LEU 94 84.285 4.464 -5.674 762 HD22 LEU 94 HD22 LEU 94 84.295 3.600 -7.211 763 HD23 LEU 94 HD23 LEU 94 84.372 2.705 -5.696 764 H ILE 95 H ILE 95 79.916 6.159 -4.639 765 HA ILE 95 HA ILE 95 79.707 4.043 -2.735 766 HB ILE 95 HB ILE 95 79.426 7.023 -2.617 767 HG12 ILE 95 HG12 ILE 95 81.102 5.433 -0.743 768 HG13 ILE 95 HG13 ILE 95 81.563 5.336 -2.435 769 HG21 ILE 95 HG21 ILE 95 78.466 4.997 -0.615 770 HG22 ILE 95 HG22 ILE 95 77.736 6.533 -1.075 771 HG23 ILE 95 HG23 ILE 95 79.164 6.511 -0.040 772 HD11 ILE 95 HD11 ILE 95 82.393 7.305 -0.741 773 HD12 ILE 95 HD12 ILE 95 80.986 8.073 -1.470 774 HD13 ILE 95 HD13 ILE 95 82.297 7.483 -2.489 775 H ALA 96 H ALA 96 77.493 5.857 -4.687 776 HA ALA 96 HA ALA 96 75.119 5.313 -3.222 777 HB1 ALA 96 HB1 ALA 96 73.945 5.954 -5.231 778 HB2 ALA 96 HB2 ALA 96 75.387 5.693 -6.212 779 HB3 ALA 96 HB3 ALA 96 75.337 7.022 -5.054 780 H TYR 97 H TYR 97 76.977 3.581 -5.653 781 HA TYR 97 HA TYR 97 75.035 1.481 -5.983 782 HB2 TYR 97 HB2 TYR 97 76.506 1.877 -7.834 783 HB3 TYR 97 HB3 TYR 97 77.933 1.741 -6.806 784 HD1 TYR 97 HD1 TYR 97 75.052 -0.164 -8.202 785 HD2 TYR 97 HD2 TYR 97 78.889 -0.382 -6.286 786 HE1 TYR 97 HE1 TYR 97 75.103 -2.611 -8.586 787 HE2 TYR 97 HE2 TYR 97 78.940 -2.831 -6.673 788 HH TYR 97 HH TYR 97 77.933 -4.559 -7.650 789 H LEU 98 H LEU 98 78.103 1.883 -4.224 790 HA LEU 98 HA LEU 98 78.328 -0.706 -3.203 791 HB2 LEU 98 HB2 LEU 98 79.262 1.987 -2.260 792 HB3 LEU 98 HB3 LEU 98 79.512 0.572 -1.244 793 HG LEU 98 HG LEU 98 80.306 0.453 -4.147 794 HD11 LEU 98 HD11 LEU 98 82.225 1.380 -2.020 795 HD12 LEU 98 HD12 LEU 98 81.299 2.540 -2.969 796 HD13 LEU 98 HD13 LEU 98 82.410 1.436 -3.771 797 HD21 LEU 98 HD21 LEU 98 81.847 -1.207 -3.335 798 HD22 LEU 98 HD22 LEU 98 80.294 -1.540 -2.570 799 HD23 LEU 98 HD23 LEU 98 81.565 -0.725 -1.663 800 H LYS 99 H LYS 99 76.156 1.863 -2.388 801 HA LYS 99 HA LYS 99 75.447 0.822 0.216 802 HB2 LYS 99 HB2 LYS 99 74.444 3.045 -1.539 803 HB3 LYS 99 HB3 LYS 99 73.473 2.504 -0.170 804 HG2 LYS 99 HG2 LYS 99 75.591 2.791 1.251 805 HG3 LYS 99 HG3 LYS 99 76.269 3.657 -0.126 806 HD2 LYS 99 HD2 LYS 99 73.626 4.384 1.163 807 HD3 LYS 99 HD3 LYS 99 75.159 5.134 1.603 808 HE2 LYS 99 HE2 LYS 99 75.445 5.694 -0.871 809 HE3 LYS 99 HE3 LYS 99 73.759 5.220 -1.077 810 HZ1 LYS 99 HZ1 LYS 99 74.853 7.429 0.555 811 HZ2 LYS 99 HZ2 LYS 99 73.282 6.830 0.798 812 HZ3 LYS 99 HZ3 LYS 99 73.714 7.511 -0.699 813 H LYS 100 H LYS 100 73.840 1.013 -2.961 814 HA LYS 100 HA LYS 100 71.617 -0.606 -2.122 815 HB2 LYS 100 HB2 LYS 100 71.660 1.159 -3.989 816 HB3 LYS 100 HB3 LYS 100 72.437 -0.078 -4.975 817 HG2 LYS 100 HG2 LYS 100 70.445 -1.592 -4.204 818 HG3 LYS 100 HG3 LYS 100 69.664 -0.064 -3.803 819 HD2 LYS 100 HD2 LYS 100 68.968 -0.341 -6.007 820 HD3 LYS 100 HD3 LYS 100 70.427 0.621 -6.239 821 HE2 LYS 100 HE2 LYS 100 70.720 -1.129 -7.777 822 HE3 LYS 100 HE3 LYS 100 71.635 -1.694 -6.380 823 HZ1 LYS 100 HZ1 LYS 100 68.801 -2.370 -6.468 824 HZ2 LYS 100 HZ2 LYS 100 70.120 -3.281 -5.905 825 HZ3 LYS 100 HZ3 LYS 100 69.810 -3.171 -7.571 826 H ALA 101 H ALA 101 74.785 -1.236 -3.264 827 HA ALA 101 HA ALA 101 74.180 -3.892 -4.285 828 HB1 ALA 101 HB1 ALA 101 76.546 -4.031 -4.774 829 HB2 ALA 101 HB2 ALA 101 76.871 -2.599 -3.798 830 HB3 ALA 101 HB3 ALA 101 75.954 -2.454 -5.298 831 H THR 102 H THR 102 75.448 -2.388 -1.384 832 HA THR 102 HA THR 102 76.190 -4.971 -0.225 833 HB THR 102 HB THR 102 76.914 -3.595 1.711 834 HG1 THR 102 HG1 THR 102 76.731 -1.378 1.566 835 HG21 THR 102 HG21 THR 102 78.609 -2.189 0.334 836 HG22 THR 102 HG22 THR 102 77.845 -2.926 -1.074 837 HG23 THR 102 HG23 THR 102 78.627 -3.941 0.138 838 H ASN 103 H ASN 103 73.448 -3.124 -0.584 839 HA ASN 103 HA ASN 103 72.243 -3.792 1.992 840 HB2 ASN 103 HB2 ASN 103 71.430 -2.170 -0.399 841 HB3 ASN 103 HB1 ASN 103 70.219 -2.681 0.769 842 HD21 ASN 103 HD21 ASN 103 73.492 -2.069 1.867 843 HD22 ASN 103 HD22 ASN 103 73.145 -0.619 2.677 844 H GLU 104 H GLU 104 72.375 -4.956 -1.264 845 HA GLU 104 HA GLU 104 70.110 -6.306 -1.791 846 HB2 GLU 104 HB2 GLU 104 72.929 -7.382 -1.977 847 HB3 GLU 104 HB3 GLU 104 71.532 -8.164 -2.716 848 HG2 GLU 104 HG2 GLU 104 72.148 -5.258 -3.241 849 HG3 GLU 104 HG3 GLU 104 72.914 -6.536 -4.182 850 HHA HEC 201 HA HEC 105 89.243 -3.383 3.262 851 HHB HEC 201 HB HEC 105 85.514 0.129 -0.449 852 HHC HEC 201 HC HEC 105 88.747 -1.839 -5.522 853 HHD HEC 201 HD HEC 105 92.046 -5.803 -1.864 854 HMA1 HEC 201 HMA1 HEC 105 85.747 1.009 2.395 855 HMA2 HEC 201 HMA2 HEC 105 84.996 -0.349 3.233 856 HMA3 HEC 201 HMA3 HEC 105 84.590 -0.020 1.552 857 HAA1 HEC 201 HAA1 HEC 105 86.765 -0.810 4.501 858 HAA2 HEC 201 HAA2 HEC 105 88.328 -1.601 4.480 859 HBA1 HEC 201 HBA1 HEC 105 87.282 -3.782 4.407 860 HBA2 HEC 201 HBA2 HEC 105 85.685 -3.051 4.278 861 HMB1 HEC 201 HMB1 HEC 105 84.813 1.228 -4.004 862 HMB2 HEC 201 HMB2 HEC 105 85.136 1.613 -2.317 863 HMB3 HEC 201 HMB3 HEC 105 84.099 0.249 -2.728 864 HAB HEC 201 HAB HEC 105 87.261 -0.639 -6.210 865 HBB1 HEC 201 HBB1 HEC 105 86.242 1.797 -6.561 866 HBB2 HEC 201 HBB2 HEC 105 86.718 1.978 -4.874 867 HBB3 HEC 201 HBB3 HEC 105 87.923 1.569 -6.089 868 HMC1 HEC 201 HMC1 HEC 105 89.668 -3.572 -6.838 869 HMC2 HEC 201 HMC2 HEC 105 91.230 -4.384 -6.808 870 HMC3 HEC 201 HMC3 HEC 105 91.142 -2.636 -6.603 871 HAC HEC 201 HAC HEC 105 92.509 -6.256 -3.779 872 HBC1 HEC 201 HBC1 HEC 105 93.578 -5.687 -6.247 873 HBC2 HEC 201 HBC2 HEC 105 94.247 -5.125 -4.716 874 HBC3 HEC 201 HBC3 HEC 105 93.185 -4.075 -5.651 875 HMD1 HEC 201 HMD1 HEC 105 93.137 -6.481 1.650 876 HMD2 HEC 201 HMD2 HEC 105 93.247 -6.326 -0.099 877 HMD3 HEC 201 HMD3 HEC 105 92.124 -7.484 0.613 878 HAD1 HEC 201 HAD1 HEC 105 91.728 -6.225 3.313 879 HAD2 HEC 201 HAD2 HEC 105 90.256 -5.406 3.797 880 HBD1 HEC 201 HBD1 HEC 105 91.461 -3.297 4.026 881 HBD2 HEC 201 HBD2 HEC 105 92.943 -4.060 3.455 882 H1 HOH 301 H2 HOH 200 81.124 2.803 -0.857 883 H2 HOH 301 H1 HOH 200 82.540 2.518 -0.398 884 H1 HOH 302 H2 HOH 201 86.028 6.741 5.604 885 H2 HOH 302 H1 HOH 201 85.670 5.360 6.115 886 H1 HOH 303 H2 HOH 202 83.718 -6.382 4.827 887 H2 HOH 303 H1 HOH 202 82.478 -5.564 5.127 888 H1 HOH 304 H2 HOH 203 83.438 -9.431 -0.447 889 H2 HOH 304 H1 HOH 203 84.678 -9.939 0.258 Start of MODEL 32 1 H1 GLY 1 H1 GLY 1 72.972 11.774 -7.379 2 H2 GLY 1 H2 GLY 1 74.428 12.029 -8.217 3 H3 GLY 1 H3 GLY 1 74.386 12.156 -6.523 4 HA2 GLY 1 HA2 GLY 1 75.398 10.067 -7.232 5 HA3 GLY 1 HA3 GLY 1 73.917 9.811 -6.309 6 H ASP 2 H ASP 2 75.389 8.368 -8.626 7 HA ASP 2 HA ASP 2 72.938 7.811 -10.173 8 HB2 ASP 2 HB2 ASP 2 75.695 8.295 -11.320 9 HB3 ASP 2 HB1 ASP 2 74.341 7.617 -12.223 10 H VAL 3 H VAL 3 72.761 5.951 -8.832 11 HA VAL 3 HA VAL 3 74.614 4.007 -8.291 12 HB VAL 3 HB VAL 3 72.385 3.838 -7.403 13 HG11 VAL 3 HG11 VAL 3 71.567 3.617 -10.310 14 HG12 VAL 3 HG12 VAL 3 71.099 4.866 -9.156 15 HG13 VAL 3 HG13 VAL 3 70.489 3.221 -8.971 16 HG21 VAL 3 HG21 VAL 3 72.611 1.549 -9.367 17 HG22 VAL 3 HG22 VAL 3 71.971 1.515 -7.723 18 HG23 VAL 3 HG23 VAL 3 73.702 1.710 -7.992 19 H GLU 4 H GLU 4 73.378 4.937 -11.361 20 HA GLU 4 HA GLU 4 73.882 2.461 -12.729 21 HB2 GLU 4 HB2 GLU 4 73.566 5.276 -13.800 22 HB3 GLU 4 HB3 GLU 4 73.574 3.808 -14.778 23 HG2 GLU 4 HG2 GLU 4 71.615 2.971 -13.496 24 HG3 GLU 4 HG3 GLU 4 71.584 4.484 -12.594 25 H LYS 5 H LYS 5 75.540 5.630 -12.857 26 HA LYS 5 HA LYS 5 77.824 4.527 -14.196 27 HB2 LYS 5 HB2 LYS 5 77.306 7.183 -12.845 28 HB3 LYS 5 HB3 LYS 5 78.846 6.786 -13.609 29 HG2 LYS 5 HG2 LYS 5 77.749 6.427 -15.750 30 HG3 LYS 5 HG3 LYS 5 76.162 6.661 -15.017 31 HD2 LYS 5 HD2 LYS 5 78.204 8.839 -14.720 32 HD3 LYS 5 HD3 LYS 5 77.384 8.661 -16.271 33 HE2 LYS 5 HE2 LYS 5 75.848 8.764 -13.672 34 HE3 LYS 5 HE3 LYS 5 76.285 10.229 -14.551 35 HZ1 LYS 5 HZ1 LYS 5 74.108 8.628 -15.017 36 HZ2 LYS 5 HZ2 LYS 5 75.180 8.258 -16.282 37 HZ3 LYS 5 HZ3 LYS 5 74.686 9.864 -16.024 38 H GLY 6 H GLY 6 76.791 4.722 -10.944 39 HA2 GLY 6 HA2 GLY 6 79.373 4.627 -9.692 40 HA3 GLY 6 HA3 GLY 6 77.828 4.229 -8.933 41 H LYS 7 H LYS 7 77.010 2.339 -10.895 42 HA LYS 7 HA LYS 7 78.207 -0.024 -9.871 43 HB2 LYS 7 HB2 LYS 7 75.882 0.024 -10.656 44 HB3 LYS 7 HB3 LYS 7 76.433 0.379 -12.293 45 HG2 LYS 7 HG2 LYS 7 77.659 -1.758 -12.351 46 HG3 LYS 7 HG3 LYS 7 77.122 -2.116 -10.711 47 HD2 LYS 7 HD2 LYS 7 74.964 -2.591 -11.370 48 HD3 LYS 7 HD3 LYS 7 75.008 -1.444 -12.710 49 HE2 LYS 7 HE2 LYS 7 76.217 -2.935 -14.098 50 HE3 LYS 7 HE3 LYS 7 76.674 -3.961 -12.739 51 HZ1 LYS 7 HZ1 LYS 7 74.285 -4.480 -12.458 52 HZ2 LYS 7 HZ2 LYS 7 74.923 -5.020 -13.937 53 HZ3 LYS 7 HZ3 LYS 7 73.958 -3.623 -13.885 54 H LYS 8 H LYS 8 78.459 1.723 -12.962 55 HA LYS 8 HA LYS 8 80.112 -0.073 -14.325 56 HB2 LYS 8 HB2 LYS 8 79.099 1.788 -15.476 57 HB3 LYS 8 HB3 LYS 8 79.965 2.942 -14.466 58 HG2 LYS 8 HG2 LYS 8 81.730 1.000 -15.818 59 HG3 LYS 8 HG3 LYS 8 80.835 2.033 -16.930 60 HD2 LYS 8 HD2 LYS 8 82.389 3.111 -14.562 61 HD3 LYS 8 HD3 LYS 8 83.079 2.954 -16.175 62 HE2 LYS 8 HE2 LYS 8 80.830 4.275 -16.833 63 HE3 LYS 8 HE3 LYS 8 81.007 4.858 -15.178 64 HZ1 LYS 8 HZ1 LYS 8 83.419 5.286 -15.844 65 HZ2 LYS 8 HZ2 LYS 8 82.232 6.348 -16.436 66 HZ3 LYS 8 HZ3 LYS 8 82.875 5.141 -17.444 67 H ILE 9 H ILE 9 80.989 2.629 -12.184 68 HA ILE 9 HA ILE 9 83.799 2.291 -12.453 69 HB ILE 9 HB ILE 9 82.216 3.573 -10.218 70 HG12 ILE 9 HG12 ILE 9 83.585 4.957 -12.531 71 HG13 ILE 9 HG13 ILE 9 81.914 4.406 -12.656 72 HG21 ILE 9 HG21 ILE 9 85.124 3.745 -11.056 73 HG22 ILE 9 HG22 ILE 9 84.496 3.124 -9.531 74 HG23 ILE 9 HG23 ILE 9 84.365 4.842 -9.903 75 HD11 ILE 9 HD11 ILE 9 81.346 5.721 -10.630 76 HD12 ILE 9 HD12 ILE 9 81.969 6.746 -11.923 77 HD13 ILE 9 HD13 ILE 9 83.007 6.312 -10.565 78 H PHE 10 H PHE 10 81.382 0.700 -10.573 79 HA PHE 10 HA PHE 10 83.214 -0.333 -8.588 80 HB2 PHE 10 HB2 PHE 10 81.090 -0.146 -7.691 81 HB3 PHE 10 HB1 PHE 10 80.301 -0.633 -9.189 82 HD1 PHE 10 HD1 PHE 10 80.194 -3.007 -9.847 83 HD2 PHE 10 HD2 PHE 10 81.901 -1.787 -6.106 84 HE1 PHE 10 HE1 PHE 10 80.101 -5.350 -9.049 85 HE2 PHE 10 HE2 PHE 10 81.811 -4.131 -5.303 86 HZ PHE 10 HZ PHE 10 80.911 -5.914 -6.777 87 H VAL 11 H VAL 11 81.340 -1.787 -11.260 88 HA VAL 11 HA VAL 11 82.250 -4.397 -11.031 89 HB VAL 11 HB VAL 11 81.709 -4.621 -13.445 90 HG11 VAL 11 HG11 VAL 11 79.379 -4.233 -13.176 91 HG12 VAL 11 HG12 VAL 11 79.654 -2.898 -12.059 92 HG13 VAL 11 HG13 VAL 11 79.983 -4.554 -11.552 93 HG21 VAL 11 HG21 VAL 11 81.299 -1.628 -13.230 94 HG22 VAL 11 HG22 VAL 11 80.858 -2.614 -14.622 95 HG23 VAL 11 HG23 VAL 11 82.555 -2.425 -14.175 96 H GLN 12 H GLN 12 83.799 -1.609 -12.477 97 HA GLN 12 HA GLN 12 85.936 -3.283 -13.577 98 HB2 GLN 12 HB2 GLN 12 86.723 -1.285 -14.651 99 HB3 GLN 12 HB1 GLN 12 84.977 -1.388 -14.875 100 HG2 GLN 12 HG2 GLN 12 84.705 0.121 -12.876 101 HG3 GLN 12 HG1 GLN 12 86.456 0.331 -12.866 102 HE21 GLN 12 HE21 GLN 12 85.827 -0.066 -16.050 103 HE22 GLN 12 HE22 GLN 12 85.563 1.543 -16.509 104 H LYS 13 H LYS 13 85.396 -1.141 -10.846 105 HA LYS 13 HA LYS 13 88.284 -1.143 -10.281 106 HB2 LYS 13 HB2 LYS 13 86.769 0.963 -10.275 107 HB3 LYS 13 HB3 LYS 13 86.273 0.398 -8.679 108 HG2 LYS 13 HG2 LYS 13 88.522 0.491 -7.853 109 HG3 LYS 13 HG3 LYS 13 89.180 0.722 -9.470 110 HD2 LYS 13 HD2 LYS 13 87.175 2.724 -8.516 111 HD3 LYS 13 HD3 LYS 13 88.786 2.788 -7.804 112 HE2 LYS 13 HE2 LYS 13 88.397 2.639 -10.794 113 HE3 LYS 13 HE3 LYS 13 88.387 4.182 -9.938 114 HZ1 LYS 13 HZ1 LYS 13 90.582 2.190 -10.032 115 HZ2 LYS 13 HZ2 LYS 13 90.567 3.519 -8.974 116 HZ3 LYS 13 HZ3 LYS 13 90.595 3.768 -10.654 117 H CYS 14 H CYS 14 85.362 -1.434 -8.197 118 HA CYS 14 HA CYS 14 86.942 -2.769 -6.189 119 HB2 CYS 14 HB2 CYS 14 83.973 -2.624 -6.025 120 HB3 CYS 14 HB1 CYS 14 85.171 -2.453 -4.750 121 H ALA 15 H ALA 15 84.402 -3.871 -8.423 122 HA ALA 15 HA ALA 15 83.834 -6.331 -7.347 123 HB1 ALA 15 HB1 ALA 15 83.680 -7.105 -9.813 124 HB2 ALA 15 HB2 ALA 15 84.107 -5.439 -10.201 125 HB3 ALA 15 HB3 ALA 15 82.640 -5.783 -9.284 126 H GLN 16 H GLN 16 86.800 -5.294 -8.832 127 HA GLN 16 HA GLN 16 88.005 -7.637 -9.611 128 HB2 GLN 16 HB2 GLN 16 88.939 -5.026 -8.611 129 HB3 GLN 16 HB1 GLN 16 90.102 -6.339 -8.424 130 HG2 GLN 16 HG2 GLN 16 89.887 -6.888 -10.810 131 HG3 GLN 16 HG1 GLN 16 88.690 -5.610 -11.009 132 HE21 GLN 16 HE21 GLN 16 89.557 -3.340 -10.213 133 HE22 GLN 16 HE22 GLN 16 91.161 -2.979 -10.636 134 H CYS 17 H CYS 17 88.549 -6.231 -6.343 135 HA CYS 17 HA CYS 17 88.921 -9.006 -5.364 136 HB2 CYS 17 HB2 CYS 17 90.059 -6.827 -3.731 137 HB3 CYS 17 HB1 CYS 17 90.762 -8.370 -4.200 138 H HIS 18 H HSD 18 86.304 -8.046 -5.407 139 HA HIS 18 HA HSD 18 85.723 -8.095 -2.556 140 HB2 HIS 18 HB2 HSD 18 85.088 -5.711 -4.279 141 HB3 HIS 18 HB1 HSD 18 84.120 -6.098 -2.858 142 HD1 HIS 18 HD1 HSD 18 86.655 -7.190 -1.184 143 HD2 HIS 18 HD2 HSD 18 86.329 -3.483 -3.056 144 HE1 HIS 18 HE1 HSD 18 88.288 -5.647 -0.010 145 H THR 19 H THR 19 83.162 -7.738 -2.359 146 HA THR 19 HA THR 19 81.820 -9.253 -4.506 147 HB THR 19 HB THR 19 80.736 -10.088 -2.004 148 HG1 THR 19 HG1 THR 19 83.109 -11.127 -1.705 149 HG21 THR 19 HG21 THR 19 82.570 -11.579 -3.898 150 HG22 THR 19 HG22 THR 19 80.843 -11.351 -4.164 151 HG23 THR 19 HG23 THR 19 81.406 -12.288 -2.781 152 H VAL 20 H VAL 20 81.543 -7.235 -1.620 153 HA VAL 20 HA VAL 20 79.841 -5.901 -0.836 154 HB VAL 20 HB VAL 20 79.146 -4.195 -2.400 155 HG11 VAL 20 HG11 VAL 20 81.954 -5.009 -3.166 156 HG12 VAL 20 HG12 VAL 20 81.560 -4.367 -1.575 157 HG13 VAL 20 HG13 VAL 20 81.299 -3.379 -3.011 158 HG21 VAL 20 HG21 VAL 20 79.438 -4.376 -4.758 159 HG22 VAL 20 HG22 VAL 20 78.676 -5.885 -4.264 160 HG23 VAL 20 HG23 VAL 20 80.407 -5.837 -4.598 161 H GLU 21 H GLU 21 78.984 -8.625 -1.591 162 HA GLU 21 HA GLU 21 76.136 -8.011 -2.130 163 HB2 GLU 21 HB2 GLU 21 76.025 -10.377 -3.054 164 HB3 GLU 21 HB3 GLU 21 76.883 -9.201 -4.047 165 HG2 GLU 21 HG2 GLU 21 78.980 -10.088 -3.522 166 HG3 GLU 21 HG3 GLU 21 78.406 -10.834 -2.035 167 H LYS 22 H LYS 22 74.733 -8.658 -0.635 168 HA LYS 22 HA LYS 22 75.641 -9.733 1.840 169 HB2 LYS 22 HB2 LYS 22 73.633 -8.201 1.437 170 HB3 LYS 22 HB3 LYS 22 72.771 -9.646 0.911 171 HG2 LYS 22 HG2 LYS 22 72.232 -9.754 3.146 172 HG3 LYS 22 HG3 LYS 22 73.781 -10.592 3.224 173 HD2 LYS 22 HD2 LYS 22 74.067 -8.993 4.893 174 HD3 LYS 22 HD3 LYS 22 74.745 -8.145 3.505 175 HE2 LYS 22 HE2 LYS 22 72.367 -7.221 3.131 176 HE3 LYS 22 HE3 LYS 22 72.024 -7.788 4.764 177 HZ1 LYS 22 HZ1 LYS 22 72.893 -5.397 4.402 178 HZ2 LYS 22 HZ2 LYS 22 74.411 -6.146 4.257 179 HZ3 LYS 22 HZ3 LYS 22 73.509 -6.318 5.686 180 H GLY 23 H GLY 23 76.019 -11.789 2.338 181 HA2 GLY 23 HA2 GLY 23 75.617 -14.070 2.538 182 HA3 GLY 23 HA3 GLY 23 74.286 -13.914 1.398 183 H GLY 24 H GLY 24 77.310 -12.546 0.467 184 HA2 GLY 24 HA2 GLY 24 77.566 -14.543 -1.656 185 HA3 GLY 24 HA3 GLY 24 78.440 -13.021 -1.542 186 H LYS 25 H LYS 25 80.522 -13.675 -1.674 187 HA LYS 25 HA LYS 25 81.604 -15.146 0.598 188 HB2 LYS 25 HB2 LYS 25 82.957 -16.575 -1.097 189 HB3 LYS 25 HB3 LYS 25 81.293 -17.043 -0.746 190 HG2 LYS 25 HG2 LYS 25 80.524 -15.837 -2.757 191 HG3 LYS 25 HG3 LYS 25 82.187 -15.369 -3.112 192 HD2 LYS 25 HD2 LYS 25 82.845 -17.639 -3.486 193 HD3 LYS 25 HD3 LYS 25 81.331 -18.255 -2.822 194 HE2 LYS 25 HE2 LYS 25 80.118 -17.082 -4.689 195 HE3 LYS 25 HE3 LYS 25 81.686 -16.692 -5.393 196 HZ1 LYS 25 HZ1 LYS 25 80.547 -18.779 -6.216 197 HZ2 LYS 25 HZ2 LYS 25 80.923 -19.466 -4.709 198 HZ3 LYS 25 HZ3 LYS 25 82.166 -18.937 -5.739 199 H HIS 26 H HIS 26 83.205 -13.894 1.284 200 HA HIS 26 HA HIS 26 84.400 -11.838 -0.235 201 HB2 HIS 26 HB2 HIS 26 86.170 -11.996 1.678 202 HB3 HIS 26 HB1 HIS 26 84.520 -11.513 2.075 203 HD1 HIS 26 HD1 HIS 26 85.274 -15.091 1.270 204 HD2 HIS 26 HD2 HIS 26 84.679 -12.736 4.657 205 HE1 HIS 26 HE1 HIS 26 85.001 -16.689 3.216 206 HE2 HIS 26 HE2 HIS 26 84.639 -15.269 5.288 207 H LYS 27 H LYS 27 86.141 -11.773 -1.529 208 HA LYS 27 HA LYS 27 87.986 -14.065 -1.602 209 HB2 LYS 27 HB2 LYS 27 87.894 -14.100 -4.069 210 HB3 LYS 27 HB3 LYS 27 86.328 -14.495 -3.359 211 HG2 LYS 27 HG2 LYS 27 85.649 -12.103 -3.642 212 HG3 LYS 27 HG3 LYS 27 87.173 -11.809 -4.480 213 HD2 LYS 27 HD2 LYS 27 86.593 -13.385 -6.224 214 HD3 LYS 27 HD3 LYS 27 85.150 -13.892 -5.345 215 HE2 LYS 27 HE2 LYS 27 84.331 -11.502 -5.499 216 HE3 LYS 27 HE3 LYS 27 85.681 -11.182 -6.589 217 HZ1 LYS 27 HZ1 LYS 27 83.207 -12.494 -7.117 218 HZ2 LYS 27 HZ2 LYS 27 84.527 -13.471 -7.550 219 HZ3 LYS 27 HZ3 LYS 27 84.369 -11.912 -8.205 220 H THR 28 H THR 28 90.081 -13.499 -1.992 221 HA THR 28 HA THR 28 91.883 -12.047 -1.913 222 HB THR 28 HB THR 28 90.504 -10.680 -4.223 223 HG1 THR 28 HG1 THR 28 90.489 -13.114 -4.169 224 HG21 THR 28 HG21 THR 28 93.366 -11.275 -3.444 225 HG22 THR 28 HG22 THR 28 92.618 -9.700 -3.702 226 HG23 THR 28 HG23 THR 28 92.914 -10.768 -5.071 227 H GLY 29 H GLY 29 89.478 -11.280 -0.369 228 HA2 GLY 29 HA2 GLY 29 90.226 -8.984 0.849 229 HA3 GLY 29 HA3 GLY 29 89.289 -8.397 -0.523 230 HA PRO 30 HA PRO 30 86.564 -9.986 3.090 231 HB2 PRO 30 HB2 PRO 30 86.062 -7.640 4.412 232 HB3 PRO 30 HB1 PRO 30 87.398 -8.728 4.835 233 HG2 PRO 30 HG2 PRO 30 87.441 -6.212 3.238 234 HG3 PRO 30 HG1 PRO 30 88.599 -6.805 4.442 235 HD2 PRO 30 HD2 PRO 30 89.036 -7.007 1.748 236 HD3 PRO 30 HD1 PRO 30 89.689 -8.171 2.924 237 H ASN 31 H ASN 31 84.280 -9.049 3.617 238 HA ASN 31 HA ASN 31 83.112 -8.129 1.078 239 HB2 ASN 31 HB2 ASN 31 81.035 -8.980 1.898 240 HB3 ASN 31 HB1 ASN 31 82.256 -10.191 2.284 241 HD21 ASN 31 HD21 ASN 31 82.159 -10.932 4.402 242 HD22 ASN 31 HD22 ASN 31 81.537 -10.051 5.713 243 H LEU 32 H LEU 32 81.315 -6.529 1.232 244 HA LEU 32 HA LEU 32 81.872 -4.511 3.329 245 HB2 LEU 32 HB2 LEU 32 80.773 -3.936 0.573 246 HB3 LEU 32 HB3 LEU 32 81.363 -2.778 1.757 247 HG LEU 32 HG LEU 32 82.988 -4.785 0.173 248 HD11 LEU 32 HD11 LEU 32 83.402 -1.805 0.458 249 HD12 LEU 32 HD12 LEU 32 82.283 -2.460 -0.733 250 HD13 LEU 32 HD13 LEU 32 83.992 -2.877 -0.811 251 HD21 LEU 32 HD21 LEU 32 83.624 -3.308 2.705 252 HD22 LEU 32 HD22 LEU 32 84.892 -3.477 1.497 253 HD23 LEU 32 HD23 LEU 32 84.140 -4.908 2.189 254 H HIS 33 H HIS 33 79.976 -6.672 3.603 255 HA HIS 33 HA HIS 33 77.329 -5.926 3.009 256 HB2 HIS 33 HB2 HIS 33 78.271 -7.496 5.419 257 HB3 HIS 33 HB1 HIS 33 76.668 -7.542 4.686 258 HD1 HIS 33 HD1 HIS 33 78.654 -10.031 4.923 259 HD2 HIS 33 HD2 HIS 33 78.046 -7.710 1.514 260 HE1 HIS 33 HE1 HIS 33 79.323 -11.469 2.950 261 HE2 HIS 33 HE2 HIS 33 78.959 -10.069 0.863 262 H GLY 34 H GLY 34 75.814 -4.692 4.081 263 HA2 GLY 34 HA2 GLY 34 75.260 -2.722 5.231 264 HA3 GLY 34 HA3 GLY 34 75.555 -3.802 6.591 265 H LEU 35 H LEU 35 78.015 -2.746 4.350 266 HA LEU 35 HA LEU 35 80.002 -2.128 6.093 267 HB2 LEU 35 HB2 LEU 35 80.311 -2.150 3.682 268 HB3 LEU 35 HB3 LEU 35 79.303 -0.716 3.510 269 HG LEU 35 HG LEU 35 81.070 0.333 5.191 270 HD11 LEU 35 HD11 LEU 35 82.869 -1.581 3.735 271 HD12 LEU 35 HD12 LEU 35 82.179 -2.034 5.290 272 HD13 LEU 35 HD13 LEU 35 83.214 -0.613 5.162 273 HD21 LEU 35 HD21 LEU 35 81.815 -0.174 2.301 274 HD22 LEU 35 HD22 LEU 35 82.286 1.206 3.295 275 HD23 LEU 35 HD23 LEU 35 80.603 1.002 2.810 276 H PHE 36 H PHE 36 77.764 0.291 4.749 277 HA PHE 36 HA PHE 36 78.630 2.460 6.268 278 HB2 PHE 36 HB2 PHE 36 75.781 2.006 5.363 279 HB3 PHE 36 HB1 PHE 36 76.592 3.550 5.631 280 HD1 PHE 36 HD2 PHE 36 76.515 0.524 3.467 281 HD2 PHE 36 HD1 PHE 36 78.019 4.521 3.957 282 HE1 PHE 36 HE2 PHE 36 77.338 0.506 1.128 283 HE2 PHE 36 HE1 PHE 36 78.834 4.501 1.624 284 HZ PHE 36 HZ PHE 36 78.494 2.496 0.205 285 H GLY 37 H GLY 37 78.987 1.900 8.434 286 HA2 GLY 37 HA2 GLY 37 77.458 2.580 10.428 287 HA3 GLY 37 HA3 GLY 37 76.637 1.085 10.015 288 H ARG 38 H ARG 38 79.255 -0.214 9.286 289 HA ARG 38 HA ARG 38 79.894 -1.092 11.989 290 HB2 ARG 38 HB2 ARG 38 80.292 -2.126 9.250 291 HB3 ARG 38 HB3 ARG 38 81.590 -2.498 10.383 292 HG2 ARG 38 HG2 ARG 38 79.770 -3.299 11.994 293 HG3 ARG 38 HG3 ARG 38 78.657 -3.202 10.628 294 HD2 ARG 38 HD2 ARG 38 81.247 -4.697 10.321 295 HD3 ARG 38 HD3 ARG 38 79.897 -5.466 11.147 296 HE ARG 38 HE ARG 38 78.733 -4.590 8.875 297 HH11 ARG 38 HH21 ARG 38 81.682 -6.306 9.510 298 HH12 ARG 38 HH22 ARG 38 81.654 -7.172 8.011 299 HH21 ARG 38 HH11 ARG 38 78.693 -5.746 6.923 300 HH22 ARG 38 HH12 ARG 38 79.965 -6.861 6.555 301 H LYS 39 H LYS 39 82.053 -1.258 12.806 302 HA LYS 39 HA LYS 39 83.604 1.131 12.344 303 HB2 LYS 39 HB2 LYS 39 83.678 -1.150 14.272 304 HB3 LYS 39 HB3 LYS 39 85.146 -0.199 14.054 305 HG2 LYS 39 HG2 LYS 39 82.538 1.234 14.473 306 HG3 LYS 39 HG3 LYS 39 83.351 0.516 15.864 307 HD2 LYS 39 HD2 LYS 39 85.435 1.759 15.218 308 HD3 LYS 39 HD3 LYS 39 84.511 2.564 13.950 309 HE2 LYS 39 HE2 LYS 39 84.257 2.831 16.933 310 HE3 LYS 39 HE3 LYS 39 84.344 4.097 15.708 311 HZ1 LYS 39 HZ1 LYS 39 82.064 2.252 16.178 312 HZ2 LYS 39 HZ2 LYS 39 82.148 3.393 14.921 313 HZ3 LYS 39 HZ3 LYS 39 82.108 3.908 16.540 314 H THR 40 H THR 40 86.031 0.957 12.100 315 HA THR 40 HA THR 40 86.649 -0.375 9.684 316 HB THR 40 HB THR 40 89.031 0.303 10.271 317 HG1 THR 40 HG1 THR 40 87.763 1.744 12.333 318 HG21 THR 40 HG21 THR 40 87.681 1.726 8.870 319 HG22 THR 40 HG22 THR 40 88.470 2.754 10.067 320 HG23 THR 40 HG23 THR 40 86.773 2.316 10.263 321 H GLY 41 H GLY 41 87.913 -2.148 9.235 322 HA2 GLY 41 HA2 GLY 41 88.527 -4.348 9.541 323 HA3 GLY 41 HA3 GLY 41 89.490 -3.682 10.857 324 H GLN 42 H GLN 42 85.991 -4.125 10.379 325 HA GLN 42 HA GLN 42 85.920 -5.568 12.965 326 HB2 GLN 42 HB2 GLN 42 84.735 -3.277 12.709 327 HB3 GLN 42 HB1 GLN 42 83.554 -4.156 11.742 328 HG2 GLN 42 HG2 GLN 42 84.266 -5.412 14.345 329 HG3 GLN 42 HG1 GLN 42 83.382 -3.894 14.448 330 HE21 GLN 42 HE21 GLN 42 81.271 -3.802 13.206 331 HE22 GLN 42 HE22 GLN 42 80.400 -5.242 12.991 332 H ALA 43 H ALA 43 85.561 -5.916 9.638 333 HA ALA 43 HA ALA 43 83.406 -7.809 9.628 334 HB1 ALA 43 HB1 ALA 43 83.552 -7.119 7.488 335 HB2 ALA 43 HB2 ALA 43 84.855 -8.294 7.328 336 HB3 ALA 43 HB3 ALA 43 85.227 -6.606 7.679 337 HA PRO 44 HA PRO 44 86.090 -11.138 11.037 338 HB2 PRO 44 HB2 PRO 44 84.193 -13.047 11.317 339 HB3 PRO 44 HB1 PRO 44 84.324 -11.683 12.447 340 HG2 PRO 44 HG2 PRO 44 82.435 -12.082 10.175 341 HG3 PRO 44 HG1 PRO 44 82.133 -11.414 11.789 342 HD2 PRO 44 HD2 PRO 44 82.508 -9.868 9.526 343 HD3 PRO 44 HD1 PRO 44 82.821 -9.301 11.183 344 H GLY 45 H GLY 45 87.400 -12.142 9.604 345 HA2 GLY 45 HA2 GLY 45 86.954 -14.322 8.101 346 HA3 GLY 45 HA3 GLY 45 86.386 -13.045 7.030 347 H PHE 46 H PHE 46 87.898 -11.398 6.366 348 HA PHE 46 HA PHE 46 90.469 -12.466 5.728 349 HB2 PHE 46 HB2 PHE 46 89.017 -10.748 4.418 350 HB3 PHE 46 HB1 PHE 46 89.760 -9.552 5.480 351 HD1 PHE 46 HD2 PHE 46 90.510 -12.264 3.035 352 HD2 PHE 46 HD1 PHE 46 92.000 -8.826 5.138 353 HE1 PHE 46 HE2 PHE 46 92.553 -12.289 1.629 354 HE2 PHE 46 HE1 PHE 46 94.042 -8.852 3.732 355 HZ PHE 46 HZ PHE 46 94.319 -10.583 1.978 356 H THR 47 H THR 47 92.507 -11.800 6.435 357 HA THR 47 HA THR 47 92.677 -11.086 9.195 358 HB THR 47 HB THR 47 94.442 -12.449 8.597 359 HG1 THR 47 HG1 THR 47 95.605 -9.950 7.983 360 HG21 THR 47 HG21 THR 47 94.334 -10.938 6.005 361 HG22 THR 47 HG22 THR 47 94.236 -12.676 6.285 362 HG23 THR 47 HG23 THR 47 95.783 -11.845 6.433 363 H TYR 48 H TYR 48 91.554 -9.042 9.181 364 HA TYR 48 HA TYR 48 92.323 -6.787 7.705 365 HB2 TYR 48 HB2 TYR 48 90.854 -7.247 10.257 366 HB3 TYR 48 HB3 TYR 48 91.404 -5.610 9.921 367 HD1 TYR 48 HD1 TYR 48 90.703 -4.462 7.824 368 HD2 TYR 48 HD2 TYR 48 89.040 -8.231 9.028 369 HE1 TYR 48 HE1 TYR 48 88.815 -4.120 6.264 370 HE2 TYR 48 HE2 TYR 48 87.145 -7.890 7.465 371 HH TYR 48 HH TYR 48 86.574 -4.850 5.926 372 H THR 49 H THR 49 93.591 -4.975 8.259 373 HA THR 49 HA THR 49 96.036 -5.660 9.655 374 HB THR 49 HB THR 49 96.793 -3.435 8.918 375 HG1 THR 49 HG1 THR 49 95.255 -2.033 8.730 376 HG21 THR 49 HG21 THR 49 97.184 -5.007 7.241 377 HG22 THR 49 HG22 THR 49 96.193 -3.828 6.386 378 HG23 THR 49 HG23 THR 49 95.467 -5.316 6.988 379 H ASP 50 H ASP 50 96.944 -4.358 11.376 380 HA ASP 50 HA ASP 50 95.245 -4.002 13.562 381 HB2 ASP 50 HB2 ASP 50 97.618 -4.295 13.882 382 HB3 ASP 50 HB1 ASP 50 97.964 -2.805 13.005 383 H ALA 51 H ALA 51 96.520 -1.595 11.276 384 HA ALA 51 HA ALA 51 95.518 0.714 12.471 385 HB1 ALA 51 HB1 ALA 51 97.000 0.953 10.623 386 HB2 ALA 51 HB2 ALA 51 95.450 1.614 10.098 387 HB3 ALA 51 HB3 ALA 51 95.948 0.006 9.570 388 H ASN 52 H ASN 52 93.924 -1.626 10.365 389 HA ASN 52 HA ASN 52 91.464 -0.100 10.242 390 HB2 ASN 52 HB2 ASN 52 92.552 -2.564 9.041 391 HB3 ASN 52 HB1 ASN 52 90.829 -2.637 9.390 392 HD21 ASN 52 HD21 ASN 52 90.266 -2.532 7.105 393 HD22 ASN 52 HD22 ASN 52 90.440 -1.089 6.223 394 H LYS 53 H LYS 53 92.835 -2.651 12.172 395 HA LYS 53 HA LYS 53 90.308 -3.342 13.427 396 HB2 LYS 53 HB2 LYS 53 91.543 -5.256 13.500 397 HB3 LYS 53 HB3 LYS 53 93.067 -4.387 13.384 398 HG2 LYS 53 HG2 LYS 53 92.965 -3.823 15.766 399 HG3 LYS 53 HG3 LYS 53 91.386 -4.600 15.899 400 HD2 LYS 53 HD2 LYS 53 92.546 -6.722 15.026 401 HD3 LYS 53 HD3 LYS 53 94.064 -5.890 15.366 402 HE2 LYS 53 HE2 LYS 53 93.349 -5.566 17.715 403 HE3 LYS 53 HE3 LYS 53 91.854 -6.436 17.371 404 HZ1 LYS 53 HZ1 LYS 53 94.554 -7.590 16.955 405 HZ2 LYS 53 HZ2 LYS 53 93.064 -8.402 16.898 406 HZ3 LYS 53 HZ3 LYS 53 93.654 -7.807 18.376 407 H ASN 54 H ASN 54 92.601 -0.929 13.682 408 HA ASN 54 HA ASN 54 92.746 -0.527 16.482 409 HB2 ASN 54 HB2 ASN 54 93.829 1.441 15.962 410 HB3 ASN 54 HB1 ASN 54 94.083 0.537 14.474 411 HD21 ASN 54 HD21 ASN 54 91.399 0.847 13.399 412 HD22 ASN 54 HD22 ASN 54 91.194 2.483 13.006 413 H LYS 55 H LYS 55 90.293 -0.040 14.175 414 HA LYS 55 HA LYS 55 88.175 0.872 14.282 415 HB2 LYS 55 HB2 LYS 55 88.679 0.363 17.218 416 HB3 LYS 55 HB3 LYS 55 87.118 0.851 16.558 417 HG2 LYS 55 HG2 LYS 55 86.968 -1.140 15.220 418 HG3 LYS 55 HG3 LYS 55 88.638 -1.578 15.582 419 HD2 LYS 55 HD2 LYS 55 88.006 -1.755 18.004 420 HD3 LYS 55 HD3 LYS 55 86.326 -1.485 17.540 421 HE2 LYS 55 HE2 LYS 55 86.646 -3.868 17.700 422 HE3 LYS 55 HE3 LYS 55 86.533 -3.470 15.985 423 HZ1 LYS 55 HZ1 LYS 55 88.390 -4.987 16.559 424 HZ2 LYS 55 HZ2 LYS 55 89.096 -3.730 17.458 425 HZ3 LYS 55 HZ3 LYS 55 88.887 -3.566 15.780 426 H GLY 56 H GLY 56 89.613 2.849 13.635 427 HA2 GLY 56 HA2 GLY 56 89.672 4.947 15.665 428 HA3 GLY 56 HA3 GLY 56 90.313 5.058 14.029 429 H ILE 57 H ILE 57 87.964 4.175 12.657 430 HA ILE 57 HA ILE 57 85.910 6.146 13.389 431 HB ILE 57 HB ILE 57 85.862 7.144 11.205 432 HG12 ILE 57 HG12 ILE 57 87.850 6.406 9.626 433 HG13 ILE 57 HG13 ILE 57 87.779 4.911 10.553 434 HG21 ILE 57 HG21 ILE 57 87.607 7.881 12.910 435 HG22 ILE 57 HG22 ILE 57 87.944 8.319 11.235 436 HG23 ILE 57 HG23 ILE 57 88.780 6.954 11.975 437 HD11 ILE 57 HD11 ILE 57 85.146 5.892 9.622 438 HD12 ILE 57 HD12 ILE 57 85.819 4.266 9.586 439 HD13 ILE 57 HD13 ILE 57 86.257 5.424 8.338 440 H THR 58 H THR 58 84.043 5.938 11.680 441 HA THR 58 HA THR 58 83.542 3.046 11.293 442 HB THR 58 HB THR 58 81.560 5.268 11.834 443 HG1 THR 58 HG1 THR 58 82.686 3.213 13.411 444 HG21 THR 58 HG21 THR 58 81.067 2.289 11.825 445 HG22 THR 58 HG22 THR 58 80.810 3.282 10.393 446 HG23 THR 58 HG23 THR 58 79.876 3.586 11.855 447 H TRP 59 H TRP 59 82.755 2.329 9.362 448 HA TRP 59 HA TRP 59 83.195 3.897 7.040 449 HB2 TRP 59 HB2 TRP 59 81.388 1.482 7.157 450 HB3 TRP 59 HB1 TRP 59 82.352 2.065 5.801 451 HD1 TRP 59 HD1 TRP 59 85.111 2.475 7.230 452 HE1 TRP 59 HE1 TRP 59 86.480 0.420 7.992 453 HE3 TRP 59 HE3 TRP 59 81.404 -1.019 7.512 454 HZ2 TRP 59 HZ2 TRP 59 86.045 -2.323 8.673 455 HZ3 TRP 59 HZ3 TRP 59 81.907 -3.339 8.215 456 HH2 TRP 59 HH2 TRP 59 84.222 -3.993 8.795 457 H LYS 60 H LYS 60 81.840 5.139 5.852 458 HA LYS 60 HA LYS 60 78.969 5.080 6.258 459 HB2 LYS 60 HB2 LYS 60 80.633 7.473 7.074 460 HB3 LYS 60 HB3 LYS 60 78.893 7.538 6.805 461 HG2 LYS 60 HG2 LYS 60 78.717 5.607 8.489 462 HG3 LYS 60 HG3 LYS 60 80.392 5.967 8.907 463 HD2 LYS 60 HD2 LYS 60 78.258 8.108 8.905 464 HD3 LYS 60 HD3 LYS 60 78.575 7.111 10.323 465 HE2 LYS 60 HE2 LYS 60 80.976 7.802 10.216 466 HE3 LYS 60 HE3 LYS 60 80.566 8.893 8.894 467 HZ1 LYS 60 HZ1 LYS 60 79.870 9.067 11.733 468 HZ2 LYS 60 HZ2 LYS 60 78.765 9.684 10.599 469 HZ3 LYS 60 HZ3 LYS 60 80.350 10.291 10.660 470 H GLU 61 H GLU 61 78.346 7.515 5.065 471 HA GLU 61 HA GLU 61 78.928 6.913 2.322 472 HB2 GLU 61 HB2 GLU 61 76.757 7.825 2.965 473 HB3 GLU 61 HB3 GLU 61 77.531 9.286 3.580 474 HG2 GLU 61 HG2 GLU 61 78.245 9.942 1.395 475 HG3 GLU 61 HG3 GLU 61 77.840 8.366 0.716 476 H GLU 62 H GLU 62 79.567 9.820 4.313 477 HA GLU 62 HA GLU 62 81.340 10.961 2.391 478 HB2 GLU 62 HB2 GLU 62 81.162 11.595 5.343 479 HB3 GLU 62 HB3 GLU 62 81.795 12.635 4.068 480 HG2 GLU 62 HG2 GLU 62 79.514 12.548 2.985 481 HG3 GLU 62 HG3 GLU 62 78.930 11.721 4.428 482 H THR 63 H THR 63 81.829 9.074 5.351 483 HA THR 63 HA THR 63 84.613 9.316 5.539 484 HB THR 63 HB THR 63 84.547 7.236 6.822 485 HG1 THR 63 HG1 THR 63 82.791 5.945 6.781 486 HG21 THR 63 HG21 THR 63 83.810 9.127 8.054 487 HG22 THR 63 HG22 THR 63 82.620 7.865 8.374 488 HG23 THR 63 HG23 THR 63 82.254 9.153 7.227 489 H LEU 64 H LEU 64 82.576 7.219 3.582 490 HA LEU 64 HA LEU 64 84.677 5.568 2.612 491 HB2 LEU 64 HB2 LEU 64 81.826 5.941 2.062 492 HB3 LEU 64 HB3 LEU 64 82.750 5.556 0.619 493 HG LEU 64 HG LEU 64 82.858 3.967 3.198 494 HD11 LEU 64 HD11 LEU 64 80.833 3.232 2.460 495 HD12 LEU 64 HD12 LEU 64 81.793 2.299 1.312 496 HD13 LEU 64 HD13 LEU 64 81.088 3.839 0.825 497 HD21 LEU 64 HD21 LEU 64 84.399 3.945 0.669 498 HD22 LEU 64 HD22 LEU 64 83.796 2.364 1.168 499 HD23 LEU 64 HD23 LEU 64 84.823 3.296 2.251 500 H MET 65 H MET 65 83.273 8.630 1.542 501 HA MET 65 HA MET 65 84.437 8.789 -1.004 502 HB2 MET 65 HB2 MET 65 83.911 11.025 0.968 503 HB3 MET 65 HB1 MET 65 84.249 11.242 -0.748 504 HG2 MET 65 HG2 MET 65 82.255 10.041 -1.367 505 HG3 MET 65 HG1 MET 65 81.963 9.567 0.304 506 HE1 MET 65 HE1 MET 65 80.297 11.358 -2.110 507 HE2 MET 65 HE2 MET 65 81.828 12.180 -2.401 508 HE3 MET 65 HE3 MET 65 80.429 13.104 -1.859 509 H GLU 66 H GLU 66 85.699 10.168 2.044 510 HA GLU 66 HA GLU 66 88.173 10.996 1.003 511 HB2 GLU 66 HB2 GLU 66 87.336 10.202 3.796 512 HB3 GLU 66 HB3 GLU 66 88.934 10.849 3.420 513 HG2 GLU 66 HG2 GLU 66 86.379 12.266 2.639 514 HG3 GLU 66 HG3 GLU 66 87.198 12.560 4.173 515 H TYR 67 H TYR 67 87.017 7.891 2.077 516 HA TYR 67 HA TYR 67 89.621 6.654 2.207 517 HB2 TYR 67 HB2 TYR 67 87.815 5.786 3.580 518 HB3 TYR 67 HB3 TYR 67 86.824 5.507 2.152 519 HD1 TYR 67 HD1 TYR 67 89.841 4.408 3.992 520 HD2 TYR 67 HD2 TYR 67 87.186 3.612 0.711 521 HE1 TYR 67 HE1 TYR 67 90.839 2.153 3.732 522 HE2 TYR 67 HE2 TYR 67 88.187 1.358 0.448 523 HH TYR 67 HH TYR 67 89.637 -0.114 1.252 524 H LEU 68 H LEU 68 87.137 7.134 -0.189 525 HA LEU 68 HA LEU 68 88.159 5.176 -2.036 526 HB2 LEU 68 HB2 LEU 68 86.050 7.315 -2.150 527 HB3 LEU 68 HB3 LEU 68 86.569 6.503 -3.620 528 HG LEU 68 HG LEU 68 85.484 5.133 -1.143 529 HD11 LEU 68 HD11 LEU 68 84.228 5.238 -3.883 530 HD12 LEU 68 HD12 LEU 68 83.888 6.468 -2.669 531 HD13 LEU 68 HD13 LEU 68 83.489 4.779 -2.351 532 HD21 LEU 68 HD21 LEU 68 85.346 3.301 -3.134 533 HD22 LEU 68 HD22 LEU 68 86.702 3.413 -2.016 534 HD23 LEU 68 HD23 LEU 68 86.810 4.155 -3.612 535 H GLU 69 H GLU 69 88.805 8.511 -1.337 536 HA GLU 69 HA GLU 69 90.141 8.933 -3.911 537 HB2 GLU 69 HB2 GLU 69 90.145 11.192 -3.411 538 HB3 GLU 69 HB3 GLU 69 88.715 10.662 -2.527 539 HG2 GLU 69 HG2 GLU 69 90.323 10.302 -0.534 540 HG3 GLU 69 HG3 GLU 69 91.459 11.293 -1.445 541 H ASN 70 H ASN 70 90.862 7.673 -0.904 542 HA ASN 70 HA ASN 70 93.606 7.293 -1.475 543 HB2 ASN 70 HB2 ASN 70 93.325 9.831 -0.730 544 HB3 ASN 70 HB1 ASN 70 93.335 9.120 0.879 545 HD21 ASN 70 HD21 ASN 70 95.187 7.003 0.508 546 HD22 ASN 70 HD22 ASN 70 96.707 7.659 0.128 547 HA PRO 71 HA PRO 71 91.278 4.491 1.494 548 HB2 PRO 71 HB2 PRO 71 93.088 2.635 0.003 549 HB3 PRO 71 HB1 PRO 71 91.388 2.426 0.463 550 HG2 PRO 71 HG2 PRO 71 92.085 3.007 -2.038 551 HG3 PRO 71 HG1 PRO 71 90.614 3.673 -1.306 552 HD2 PRO 71 HD2 PRO 71 93.206 5.033 -1.896 553 HD3 PRO 71 HD1 PRO 71 91.560 5.704 -1.863 554 H LYS 72 H LYS 72 94.722 4.681 0.651 555 HA LYS 72 HA LYS 72 95.576 3.364 3.068 556 HB2 LYS 72 HB2 LYS 72 96.873 3.213 0.984 557 HB3 LYS 72 HB3 LYS 72 97.152 4.948 1.030 558 HG2 LYS 72 HG2 LYS 72 99.114 4.099 1.997 559 HG3 LYS 72 HG3 LYS 72 98.140 4.499 3.407 560 HD2 LYS 72 HD2 LYS 72 99.131 2.274 3.675 561 HD3 LYS 72 HD3 LYS 72 97.382 2.137 3.537 562 HE2 LYS 72 HE2 LYS 72 97.498 1.044 1.531 563 HE3 LYS 72 HE3 LYS 72 98.865 2.006 0.968 564 HZ1 LYS 72 HZ1 LYS 72 99.821 -0.036 1.306 565 HZ2 LYS 72 HZ2 LYS 72 98.857 -0.402 2.656 566 HZ3 LYS 72 HZ3 LYS 72 100.132 0.712 2.796 567 H LYS 73 H LYS 73 95.708 6.729 1.881 568 HA LYS 73 HA LYS 73 97.003 7.799 4.113 569 HB2 LYS 73 HB2 LYS 73 96.660 8.976 1.937 570 HB3 LYS 73 HB3 LYS 73 94.974 9.223 2.386 571 HG2 LYS 73 HG2 LYS 73 96.925 10.042 4.458 572 HG3 LYS 73 HG3 LYS 73 96.996 10.983 2.970 573 HD2 LYS 73 HD2 LYS 73 94.574 11.420 3.124 574 HD3 LYS 73 HD3 LYS 73 94.497 10.480 4.613 575 HE2 LYS 73 HE2 LYS 73 94.652 12.799 5.246 576 HE3 LYS 73 HE3 LYS 73 96.215 12.057 5.590 577 HZ1 LYS 73 HZ1 LYS 73 95.771 13.275 2.958 578 HZ2 LYS 73 HZ2 LYS 73 97.210 13.116 3.847 579 HZ3 LYS 73 HZ3 LYS 73 96.065 14.292 4.284 580 H TYR 74 H TYR 74 93.597 7.077 3.576 581 HA TYR 74 HA TYR 74 92.577 8.540 5.779 582 HB2 TYR 74 HB2 TYR 74 91.399 7.266 3.739 583 HB3 TYR 74 HB3 TYR 74 91.241 6.002 4.957 584 HD1 TYR 74 HD1 TYR 74 90.878 9.741 4.748 585 HD2 TYR 74 HD2 TYR 74 89.284 6.034 6.225 586 HE1 TYR 74 HE1 TYR 74 88.975 10.963 5.765 587 HE2 TYR 74 HE2 TYR 74 87.384 7.258 7.243 588 HH TYR 74 HH TYR 74 86.482 9.242 7.646 589 H ILE 75 H ILE 75 93.210 5.040 5.457 590 HA ILE 75 HA ILE 75 93.793 4.956 8.356 591 HB ILE 75 HB ILE 75 92.310 2.816 6.808 592 HG12 ILE 75 HG12 ILE 75 91.160 4.594 8.964 593 HG13 ILE 75 HG13 ILE 75 91.095 5.063 7.268 594 HG21 ILE 75 HG21 ILE 75 93.562 1.882 8.654 595 HG22 ILE 75 HG22 ILE 75 91.876 1.982 9.157 596 HG23 ILE 75 HG23 ILE 75 93.038 3.178 9.730 597 HD11 ILE 75 HD11 ILE 75 89.880 3.033 6.700 598 HD12 ILE 75 HD12 ILE 75 89.042 3.851 8.018 599 HD13 ILE 75 HD13 ILE 75 90.042 2.437 8.351 600 HA PRO 76 HA PRO 76 97.403 3.641 5.615 601 HB2 PRO 76 HB2 PRO 76 98.549 4.307 8.310 602 HB3 PRO 76 HB1 PRO 76 99.219 4.617 6.696 603 HG2 PRO 76 HG2 PRO 76 98.032 6.548 8.099 604 HG3 PRO 76 HG1 PRO 76 97.871 6.444 6.337 605 HD2 PRO 76 HD2 PRO 76 95.846 5.883 8.434 606 HD3 PRO 76 HD1 PRO 76 95.609 6.332 6.732 607 H GLY 77 H GLY 77 98.654 1.734 5.756 608 HA2 GLY 77 HA2 GLY 77 99.406 -0.277 6.728 609 HA3 GLY 77 HA3 GLY 77 98.309 -0.013 8.081 610 H THR 78 H THR 78 96.047 0.600 6.278 611 HA THR 78 HA THR 78 94.844 -1.909 6.125 612 HB THR 78 HB THR 78 93.658 0.293 6.041 613 HG1 THR 78 HG1 THR 78 92.763 -1.776 5.318 614 HG21 THR 78 HG21 THR 78 93.567 1.535 4.009 615 HG22 THR 78 HG22 THR 78 94.381 0.254 3.110 616 HG23 THR 78 HG23 THR 78 95.276 1.206 4.296 617 H LYS 79 H LYS 79 94.622 -3.446 4.530 618 HA LYS 79 HA LYS 79 96.669 -3.401 2.456 619 HB2 LYS 79 HB2 LYS 79 94.872 -5.448 3.658 620 HB3 LYS 79 HB3 LYS 79 95.405 -5.723 2.001 621 HG2 LYS 79 HG2 LYS 79 97.416 -4.932 4.096 622 HG3 LYS 79 HG3 LYS 79 96.874 -6.606 3.997 623 HD2 LYS 79 HD2 LYS 79 97.749 -5.203 1.486 624 HD3 LYS 79 HD3 LYS 79 98.971 -5.819 2.598 625 HE2 LYS 79 HE2 LYS 79 98.382 -8.033 2.237 626 HE3 LYS 79 HE3 LYS 79 96.713 -7.635 1.831 627 HZ1 LYS 79 HZ1 LYS 79 99.074 -7.683 0.140 628 HZ2 LYS 79 HZ2 LYS 79 97.997 -6.397 -0.132 629 HZ3 LYS 79 HZ3 LYS 79 97.453 -8.002 -0.246 630 H MET 80 H MET 80 95.972 -1.837 0.986 631 HA MET 80 HA MET 80 94.287 -2.737 -1.089 632 HB2 MET 80 HB2 MET 80 92.428 -2.281 0.393 633 HB3 MET 80 HB1 MET 80 93.057 -0.672 0.752 634 HG2 MET 80 HG2 MET 80 92.510 0.160 -1.361 635 HG3 MET 80 HG1 MET 80 92.523 -1.437 -2.106 636 HE1 MET 80 HE1 MET 80 88.919 0.656 -1.762 637 HE2 MET 80 HE2 MET 80 90.246 0.412 -2.894 638 HE3 MET 80 HE3 MET 80 90.512 1.343 -1.424 639 H ILE 81 H ILE 81 95.923 -2.060 -2.421 640 HA ILE 81 HA ILE 81 96.201 0.862 -2.740 641 HB ILE 81 HB ILE 81 98.469 -1.143 -2.863 642 HG12 ILE 81 HG12 ILE 81 99.203 0.586 -0.943 643 HG13 ILE 81 HG13 ILE 81 97.456 0.731 -0.756 644 HG21 ILE 81 HG21 ILE 81 98.265 1.828 -3.382 645 HG22 ILE 81 HG22 ILE 81 98.916 0.578 -4.443 646 HG23 ILE 81 HG23 ILE 81 99.799 1.051 -2.990 647 HD11 ILE 81 HD11 ILE 81 97.836 -1.058 0.658 648 HD12 ILE 81 HD12 ILE 81 99.231 -1.622 -0.260 649 HD13 ILE 81 HD13 ILE 81 97.601 -1.942 -0.848 650 H PHE 82 H PHE 82 94.628 0.534 -4.452 651 HA PHE 82 HA PHE 82 95.767 -0.747 -6.869 652 HB2 PHE 82 HB2 PHE 82 93.613 -1.707 -5.981 653 HB3 PHE 82 HB1 PHE 82 92.851 -0.153 -6.323 654 HD1 PHE 82 HD2 PHE 82 94.828 -2.897 -7.919 655 HD2 PHE 82 HD1 PHE 82 92.072 0.347 -8.496 656 HE1 PHE 82 HE2 PHE 82 94.547 -3.558 -10.291 657 HE2 PHE 82 HE1 PHE 82 91.792 -0.315 -10.869 658 HZ PHE 82 HZ PHE 82 93.028 -2.268 -11.767 659 H ALA 83 H ALA 83 93.311 1.751 -6.182 660 HA ALA 83 HA ALA 83 94.743 3.907 -7.299 661 HB1 ALA 83 HB1 ALA 83 94.591 2.879 -9.439 662 HB2 ALA 83 HB2 ALA 83 93.335 4.116 -9.417 663 HB3 ALA 83 HB3 ALA 83 92.908 2.422 -9.180 664 H GLY 84 H GLY 84 93.862 5.550 -6.234 665 HA2 GLY 84 HA2 GLY 84 91.261 5.424 -5.060 666 HA3 GLY 84 HA3 GLY 84 92.326 6.826 -5.079 667 H ILE 85 H ILE 85 89.757 7.397 -5.360 668 HA ILE 85 HA ILE 85 89.007 7.475 -8.181 669 HB ILE 85 HB ILE 85 87.673 8.468 -5.658 670 HG12 ILE 85 HG12 ILE 85 87.866 5.928 -6.385 671 HG13 ILE 85 HG13 ILE 85 86.337 6.560 -5.784 672 HG21 ILE 85 HG21 ILE 85 85.678 8.743 -7.251 673 HG22 ILE 85 HG22 ILE 85 86.858 8.689 -8.558 674 HG23 ILE 85 HG23 ILE 85 86.942 9.969 -7.348 675 HD11 ILE 85 HD11 ILE 85 86.350 5.163 -7.994 676 HD12 ILE 85 HD12 ILE 85 86.928 6.657 -8.730 677 HD13 ILE 85 HD13 ILE 85 85.368 6.624 -7.907 678 H LYS 86 H LYS 86 88.361 9.577 -9.166 679 HA LYS 86 HA LYS 86 90.304 11.667 -8.417 680 HB2 LYS 86 HB2 LYS 86 90.364 10.641 -10.729 681 HB3 LYS 86 HB3 LYS 86 88.812 11.422 -11.029 682 HG2 LYS 86 HG2 LYS 86 89.766 13.613 -10.629 683 HG3 LYS 86 HG3 LYS 86 91.294 12.899 -10.114 684 HD2 LYS 86 HD2 LYS 86 91.602 11.939 -12.374 685 HD3 LYS 86 HD3 LYS 86 90.086 12.679 -12.887 686 HE2 LYS 86 HE2 LYS 86 91.854 14.149 -13.593 687 HE3 LYS 86 HE3 LYS 86 91.063 14.918 -12.217 688 HZ1 LYS 86 HZ1 LYS 86 92.838 13.707 -10.848 689 HZ2 LYS 86 HZ2 LYS 86 93.302 15.088 -11.720 690 HZ3 LYS 86 HZ3 LYS 86 93.669 13.539 -12.316 691 H LYS 87 H LYS 87 87.095 11.659 -10.022 692 HA LYS 87 HA LYS 87 86.527 14.274 -8.902 693 HB2 LYS 87 HB2 LYS 87 84.476 12.648 -10.356 694 HB3 LYS 87 HB3 LYS 87 84.768 14.385 -10.404 695 HG2 LYS 87 HG2 LYS 87 87.016 13.817 -11.507 696 HG3 LYS 87 HG3 LYS 87 86.367 12.193 -11.732 697 HD2 LYS 87 HD2 LYS 87 84.353 13.284 -12.847 698 HD3 LYS 87 HD3 LYS 87 85.276 14.787 -12.843 699 HE2 LYS 87 HE2 LYS 87 87.038 13.767 -14.174 700 HE3 LYS 87 HE3 LYS 87 86.247 12.194 -14.080 701 HZ1 LYS 87 HZ1 LYS 87 85.801 14.254 -15.925 702 HZ2 LYS 87 HZ2 LYS 87 84.381 14.050 -15.015 703 HZ3 LYS 87 HZ3 LYS 87 85.056 12.731 -15.848 704 H LYS 88 H LYS 88 84.464 14.725 -7.806 705 HA LYS 88 HA LYS 88 84.146 13.032 -5.525 706 HB2 LYS 88 HB2 LYS 88 83.829 15.551 -5.573 707 HB3 LYS 88 HB3 LYS 88 82.287 15.255 -6.377 708 HG2 LYS 88 HG2 LYS 88 81.689 13.720 -4.449 709 HG3 LYS 88 HG3 LYS 88 83.134 14.307 -3.627 710 HD2 LYS 88 HD2 LYS 88 81.589 15.810 -2.787 711 HD3 LYS 88 HD3 LYS 88 82.082 16.685 -4.236 712 HE2 LYS 88 HE2 LYS 88 80.162 15.433 -5.424 713 HE3 LYS 88 HE3 LYS 88 79.591 15.034 -3.804 714 HZ1 LYS 88 HZ1 LYS 88 79.702 17.466 -3.317 715 HZ2 LYS 88 HZ2 LYS 88 78.520 17.023 -4.454 716 HZ3 LYS 88 HZ3 LYS 88 79.975 17.733 -4.969 717 H THR 89 H THR 89 81.960 13.895 -8.220 718 HA THR 89 HA THR 89 79.803 12.301 -7.540 719 HB THR 89 HB THR 89 79.280 12.223 -9.955 720 HG1 THR 89 HG1 THR 89 80.816 13.355 -11.312 721 HG21 THR 89 HG21 THR 89 78.688 14.219 -8.689 722 HG22 THR 89 HG22 THR 89 79.242 14.696 -10.293 723 HG23 THR 89 HG23 THR 89 80.313 14.870 -8.902 724 H GLU 90 H GLU 90 82.919 11.372 -8.775 725 HA GLU 90 HA GLU 90 82.179 8.765 -9.674 726 HB2 GLU 90 HB2 GLU 90 84.799 10.053 -8.922 727 HB3 GLU 90 HB3 GLU 90 84.703 8.338 -9.311 728 HG2 GLU 90 HG2 GLU 90 83.692 8.885 -11.491 729 HG3 GLU 90 HG3 GLU 90 83.793 10.601 -11.106 730 H ARG 91 H ARG 91 83.272 10.144 -6.620 731 HA ARG 91 HA ARG 91 83.431 7.597 -5.266 732 HB2 ARG 91 HB2 ARG 91 83.327 10.417 -4.152 733 HB3 ARG 91 HB3 ARG 91 83.732 8.964 -3.237 734 HG2 ARG 91 HG2 ARG 91 85.581 8.576 -4.953 735 HG3 ARG 91 HG3 ARG 91 85.284 10.223 -5.504 736 HD2 ARG 91 HD2 ARG 91 85.459 10.437 -2.710 737 HD3 ARG 91 HD3 ARG 91 86.733 9.304 -3.149 738 HE ARG 91 HE ARG 91 87.806 11.015 -4.353 739 HH11 ARG 91 HH21 ARG 91 84.705 12.002 -3.143 740 HH12 ARG 91 HH22 ARG 91 84.984 13.686 -3.434 741 HH21 ARG 91 HH11 ARG 91 88.160 13.218 -4.735 742 HH22 ARG 91 HH12 ARG 91 86.932 14.373 -4.334 743 H GLU 92 H GLU 92 81.162 10.346 -5.267 744 HA GLU 92 HA GLU 92 79.325 9.283 -3.419 745 HB2 GLU 92 HB2 GLU 92 79.417 11.661 -4.360 746 HB3 GLU 92 HB3 GLU 92 78.571 11.023 -5.771 747 HG2 GLU 92 HG2 GLU 92 76.801 10.133 -4.224 748 HG3 GLU 92 HG3 GLU 92 77.609 10.968 -2.897 749 H ASP 93 H ASP 93 79.267 9.224 -6.995 750 HA ASP 93 HA ASP 93 76.987 7.607 -7.274 751 HB2 ASP 93 HB2 ASP 93 79.427 7.792 -9.062 752 HB3 ASP 93 HB1 ASP 93 77.884 7.074 -9.521 753 H LEU 94 H LEU 94 80.434 6.696 -7.269 754 HA LEU 94 HA LEU 94 80.144 3.933 -7.481 755 HB2 LEU 94 HB2 LEU 94 82.334 4.981 -7.638 756 HB3 LEU 94 HB3 LEU 94 82.210 5.549 -5.975 757 HG LEU 94 HG LEU 94 82.264 3.293 -5.120 758 HD11 LEU 94 HD11 LEU 94 82.706 1.449 -6.912 759 HD12 LEU 94 HD12 LEU 94 81.968 2.596 -8.030 760 HD13 LEU 94 HD13 LEU 94 81.052 1.995 -6.648 761 HD21 LEU 94 HD21 LEU 94 84.409 4.527 -6.078 762 HD22 LEU 94 HD22 LEU 94 84.395 3.189 -7.226 763 HD23 LEU 94 HD23 LEU 94 84.511 2.867 -5.499 764 H ILE 95 H ILE 95 80.032 6.039 -4.660 765 HA ILE 95 HA ILE 95 79.819 3.901 -2.782 766 HB ILE 95 HB ILE 95 79.412 6.880 -2.600 767 HG12 ILE 95 HG12 ILE 95 81.386 5.086 -1.179 768 HG13 ILE 95 HG13 ILE 95 81.682 5.683 -2.810 769 HG21 ILE 95 HG21 ILE 95 78.768 4.710 -0.623 770 HG22 ILE 95 HG22 ILE 95 77.915 6.221 -0.933 771 HG23 ILE 95 HG23 ILE 95 79.429 6.234 -0.030 772 HD11 ILE 95 HD11 ILE 95 82.666 7.095 -0.939 773 HD12 ILE 95 HD12 ILE 95 81.011 7.517 -0.510 774 HD13 ILE 95 HD13 ILE 95 81.651 7.955 -2.092 775 H ALA 96 H ALA 96 77.581 5.781 -4.670 776 HA ALA 96 HA ALA 96 75.230 5.201 -3.184 777 HB1 ALA 96 HB1 ALA 96 75.452 5.728 -6.156 778 HB2 ALA 96 HB2 ALA 96 75.439 6.995 -4.929 779 HB3 ALA 96 HB3 ALA 96 74.029 5.955 -5.138 780 H TYR 97 H TYR 97 77.028 3.553 -5.710 781 HA TYR 97 HA TYR 97 75.059 1.518 -6.173 782 HB2 TYR 97 HB2 TYR 97 76.654 1.942 -7.924 783 HB3 TYR 97 HB3 TYR 97 78.009 1.690 -6.825 784 HD1 TYR 97 HD1 TYR 97 75.122 -0.008 -8.456 785 HD2 TYR 97 HD2 TYR 97 78.847 -0.496 -6.377 786 HE1 TYR 97 HE1 TYR 97 75.090 -2.432 -8.971 787 HE2 TYR 97 HE2 TYR 97 78.816 -2.921 -6.891 788 HH TYR 97 HH TYR 97 76.023 -4.439 -8.418 789 H LEU 98 H LEU 98 77.888 1.914 -4.114 790 HA LEU 98 HA LEU 98 78.157 -0.707 -3.170 791 HB2 LEU 98 HB2 LEU 98 78.805 2.001 -2.052 792 HB3 LEU 98 HB3 LEU 98 79.009 0.573 -1.044 793 HG LEU 98 HG LEU 98 80.182 0.633 -3.821 794 HD11 LEU 98 HD11 LEU 98 81.476 2.383 -3.210 795 HD12 LEU 98 HD12 LEU 98 82.286 1.246 -2.137 796 HD13 LEU 98 HD13 LEU 98 80.990 2.269 -1.520 797 HD21 LEU 98 HD21 LEU 98 81.790 -0.919 -2.750 798 HD22 LEU 98 HD22 LEU 98 80.133 -1.490 -2.565 799 HD23 LEU 98 HD23 LEU 98 80.951 -0.711 -1.213 800 H LYS 99 H LYS 99 76.268 2.025 -1.912 801 HA LYS 99 HA LYS 99 75.200 0.805 0.355 802 HB2 LYS 99 HB2 LYS 99 74.145 2.976 -1.450 803 HB3 LYS 99 HB3 LYS 99 73.288 2.466 0.004 804 HG2 LYS 99 HG2 LYS 99 75.435 2.880 1.292 805 HG3 LYS 99 HG3 LYS 99 76.083 3.626 -0.168 806 HD2 LYS 99 HD2 LYS 99 73.460 4.507 1.056 807 HD3 LYS 99 HD3 LYS 99 75.003 5.206 1.546 808 HE2 LYS 99 HE2 LYS 99 75.438 5.724 -0.893 809 HE3 LYS 99 HE3 LYS 99 73.775 5.239 -1.223 810 HZ1 LYS 99 HZ1 LYS 99 74.261 7.180 0.916 811 HZ2 LYS 99 HZ2 LYS 99 72.930 7.030 -0.129 812 HZ3 LYS 99 HZ3 LYS 99 74.380 7.714 -0.689 813 H LYS 100 H LYS 100 73.683 1.118 -2.865 814 HA LYS 100 HA LYS 100 71.466 -0.550 -2.201 815 HB2 LYS 100 HB2 LYS 100 72.582 0.418 -4.834 816 HB3 LYS 100 HB3 LYS 100 71.119 -0.558 -4.709 817 HG2 LYS 100 HG2 LYS 100 70.098 1.134 -3.243 818 HG3 LYS 100 HG3 LYS 100 71.565 2.109 -3.337 819 HD2 LYS 100 HD2 LYS 100 71.246 2.577 -5.638 820 HD3 LYS 100 HD3 LYS 100 70.067 1.277 -5.823 821 HE2 LYS 100 HE2 LYS 100 69.567 3.613 -3.975 822 HE3 LYS 100 HE3 LYS 100 69.143 3.678 -5.686 823 HZ1 LYS 100 HZ1 LYS 100 67.895 1.562 -5.312 824 HZ2 LYS 100 HZ2 LYS 100 67.247 2.921 -4.525 825 HZ3 LYS 100 HZ3 LYS 100 68.141 1.774 -3.648 826 H ALA 101 H ALA 101 74.676 -1.191 -3.378 827 HA ALA 101 HA ALA 101 74.016 -3.872 -4.296 828 HB1 ALA 101 HB1 ALA 101 76.437 -4.037 -4.760 829 HB2 ALA 101 HB2 ALA 101 76.674 -2.455 -4.016 830 HB3 ALA 101 HB3 ALA 101 75.720 -2.601 -5.492 831 H THR 102 H THR 102 75.091 -2.343 -1.396 832 HA THR 102 HA THR 102 76.070 -4.863 -0.253 833 HB THR 102 HB THR 102 76.635 -3.401 1.714 834 HG1 THR 102 HG1 THR 102 75.195 -1.663 0.168 835 HG21 THR 102 HG21 THR 102 78.459 -3.753 0.298 836 HG22 THR 102 HG22 THR 102 78.339 -1.994 0.301 837 HG23 THR 102 HG23 THR 102 77.697 -2.919 -1.057 838 H ASN 103 H ASN 103 73.180 -3.527 -0.776 839 HA ASN 103 HA ASN 103 72.027 -4.214 1.850 840 HB2 ASN 103 HB2 ASN 103 71.087 -2.561 -0.480 841 HB3 ASN 103 HB1 ASN 103 69.948 -3.157 0.723 842 HD21 ASN 103 HD21 ASN 103 73.247 -2.360 1.653 843 HD22 ASN 103 HD22 ASN 103 72.850 -0.964 2.531 844 H GLU 104 H GLU 104 72.255 -5.217 -1.448 845 HA GLU 104 HA GLU 104 70.560 -7.554 -0.841 846 HB2 GLU 104 HB2 GLU 104 69.713 -7.380 -3.246 847 HB3 GLU 104 HB3 GLU 104 69.057 -6.212 -2.098 848 HG2 GLU 104 HG2 GLU 104 70.419 -4.463 -2.920 849 HG3 GLU 104 HG3 GLU 104 71.495 -5.578 -3.759 850 HHA HEC 201 HA HEC 105 89.304 -3.397 3.204 851 HHB HEC 201 HB HEC 105 85.453 0.022 -0.471 852 HHC HEC 201 HC HEC 105 88.753 -1.782 -5.563 853 HHD HEC 201 HD HEC 105 92.105 -5.750 -1.958 854 HMA1 HEC 201 HMA1 HEC 105 85.699 0.899 2.414 855 HMA2 HEC 201 HMA2 HEC 105 84.955 -0.495 3.196 856 HMA3 HEC 201 HMA3 HEC 105 84.569 -0.117 1.522 857 HAA1 HEC 201 HAA1 HEC 105 86.750 -0.911 4.472 858 HAA2 HEC 201 HAA2 HEC 105 88.335 -1.660 4.443 859 HBA1 HEC 201 HBA1 HEC 105 87.414 -3.848 4.465 860 HBA2 HEC 201 HBA2 HEC 105 85.796 -3.252 4.109 861 HMB1 HEC 201 HMB1 HEC 105 84.786 1.247 -3.965 862 HMB2 HEC 201 HMB2 HEC 105 84.863 1.334 -2.209 863 HMB3 HEC 201 HMB3 HEC 105 83.999 0.013 -2.992 864 HAB HEC 201 HAB HEC 105 87.259 -0.588 -6.234 865 HBB1 HEC 201 HBB1 HEC 105 86.604 1.997 -4.856 866 HBB2 HEC 201 HBB2 HEC 105 87.921 1.628 -5.964 867 HBB3 HEC 201 HBB3 HEC 105 86.283 1.832 -6.581 868 HMC1 HEC 201 HMC1 HEC 105 90.963 -2.499 -6.681 869 HMC2 HEC 201 HMC2 HEC 105 89.688 -3.692 -6.914 870 HMC3 HEC 201 HMC3 HEC 105 91.373 -4.204 -6.861 871 HAC HEC 201 HAC HEC 105 92.524 -6.213 -3.890 872 HBC1 HEC 201 HBC1 HEC 105 94.302 -5.408 -5.023 873 HBC2 HEC 201 HBC2 HEC 105 93.371 -3.971 -5.442 874 HBC3 HEC 201 HBC3 HEC 105 93.356 -5.374 -6.509 875 HMD1 HEC 201 HMD1 HEC 105 93.222 -6.449 1.546 876 HMD2 HEC 201 HMD2 HEC 105 93.324 -6.277 -0.202 877 HMD3 HEC 201 HMD3 HEC 105 92.210 -7.448 0.504 878 HAD1 HEC 201 HAD1 HEC 105 91.842 -6.195 3.221 879 HAD2 HEC 201 HAD2 HEC 105 90.348 -5.423 3.714 880 HBD1 HEC 201 HBD1 HEC 105 91.526 -3.262 3.901 881 HBD2 HEC 201 HBD2 HEC 105 93.029 -4.050 3.430 882 H1 HOH 301 H2 HOH 200 83.804 2.881 -1.301 883 H2 HOH 301 H1 HOH 200 82.720 2.222 -0.478 884 H1 HOH 302 H2 HOH 201 86.953 5.567 5.648 885 H2 HOH 302 H1 HOH 201 85.765 4.804 6.194 886 H1 HOH 303 H2 HOH 202 83.315 -6.502 5.549 887 H2 HOH 303 H1 HOH 202 82.835 -5.070 5.648 888 H1 HOH 304 H2 HOH 203 80.433 -10.493 0.006 889 H2 HOH 304 H1 HOH 203 81.619 -11.376 0.329
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