NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19081 | 2ed8 | 11103 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.367 26.540 -1.958 2 HA2 GLY 1 1HA GLY 1 15.618 26.495 -4.891 3 HA3 GLY 1 2HA GLY 1 15.502 24.982 -4.006 4 H SER 2 H SER 2 13.538 24.179 -3.582 5 HA SER 2 HA SER 2 11.224 25.908 -4.159 6 HB2 SER 2 1HB SER 2 11.404 24.054 -5.727 7 HB3 SER 2 2HB SER 2 11.501 22.901 -4.396 8 HG SER 2 HG SER 2 9.329 24.265 -3.957 9 H SER 3 H SER 3 11.188 26.696 -1.992 10 HA SER 3 HA SER 3 10.575 24.751 0.103 11 HB2 SER 3 1HB SER 3 11.031 27.740 0.286 12 HB3 SER 3 2HB SER 3 10.815 26.648 1.654 13 HG SER 3 HG SER 3 12.711 25.531 0.393 14 H GLY 4 H GLY 4 8.488 24.216 -0.830 15 HA2 GLY 4 1HA GLY 4 6.397 25.836 0.320 16 HA3 GLY 4 2HA GLY 4 6.388 25.827 -1.438 17 H SER 5 H SER 5 6.306 23.702 1.396 18 HA SER 5 HA SER 5 4.237 22.106 0.215 19 HB2 SER 5 1HB SER 5 5.502 19.967 0.288 20 HB3 SER 5 2HB SER 5 6.137 21.089 -0.916 21 HG SER 5 HG SER 5 7.470 19.930 1.006 22 H SER 6 H SER 6 3.103 20.951 1.727 23 HA SER 6 HA SER 6 4.144 21.000 4.483 24 HB2 SER 6 1HB SER 6 2.312 22.708 3.972 25 HB3 SER 6 2HB SER 6 1.224 21.332 3.794 26 HG SER 6 HG SER 6 1.044 21.416 5.878 27 H GLY 7 H GLY 7 2.558 19.266 1.964 28 HA2 GLY 7 1HA GLY 7 2.402 16.938 1.803 29 HA3 GLY 7 2HA GLY 7 2.759 16.818 3.519 30 HA PRO 8 HA PRO 8 -1.976 16.957 2.443 31 HB2 PRO 8 1HB PRO 8 -2.484 14.544 1.308 32 HB3 PRO 8 2HB PRO 8 -2.123 15.993 0.363 33 HG2 PRO 8 1HG PRO 8 -0.313 13.737 1.136 34 HG3 PRO 8 2HG PRO 8 -0.457 14.573 -0.421 35 HD2 PRO 8 1HD PRO 8 1.519 15.118 1.348 36 HD3 PRO 8 2HD PRO 8 0.833 16.353 0.272 37 H GLY 9 H GLY 9 -3.640 15.204 3.199 38 HA2 GLY 9 1HA GLY 9 -2.601 14.161 5.727 39 HA3 GLY 9 2HA GLY 9 -4.294 14.389 5.317 40 HA PRO 10 HA PRO 10 -2.885 9.887 4.813 41 HB2 PRO 10 1HB PRO 10 -4.217 8.849 6.940 42 HB3 PRO 10 2HB PRO 10 -2.557 9.447 7.044 43 HG2 PRO 10 1HG PRO 10 -5.111 10.802 7.822 44 HG3 PRO 10 2HG PRO 10 -3.562 10.753 8.685 45 HD2 PRO 10 1HD PRO 10 -4.338 12.883 7.203 46 HD3 PRO 10 2HD PRO 10 -2.636 12.407 7.374 47 H VAL 11 H VAL 11 -4.085 8.973 3.279 48 HA VAL 11 HA VAL 11 -6.606 9.610 2.479 49 HB VAL 11 HB VAL 11 -6.761 7.394 1.414 50 HG11 VAL 11 1HG1 VAL 11 -5.362 9.247 0.477 51 HG12 VAL 11 2HG1 VAL 11 -3.956 8.475 1.212 52 HG13 VAL 11 3HG1 VAL 11 -4.878 7.629 -0.031 53 HG21 VAL 11 3HG2 VAL 11 -4.258 6.769 2.980 54 HG22 VAL 11 1HG2 VAL 11 -5.849 6.052 3.237 55 HG23 VAL 11 2HG2 VAL 11 -4.978 5.749 1.734 56 H GLU 12 H GLU 12 -8.575 8.116 2.505 57 HA GLU 12 HA GLU 12 -9.058 7.224 5.272 58 HB2 GLU 12 1HB GLU 12 -11.124 8.297 3.348 59 HB3 GLU 12 2HB GLU 12 -11.354 7.920 5.049 60 HG2 GLU 12 1HG GLU 12 -9.287 9.923 4.336 61 HG3 GLU 12 2HG GLU 12 -10.981 10.388 4.197 62 H ASN 13 H ASN 13 -11.214 5.798 5.223 63 HA ASN 13 HA ASN 13 -11.723 3.563 4.914 64 HB2 ASN 13 1HB ASN 13 -12.142 4.859 2.218 65 HB3 ASN 13 2HB ASN 13 -12.705 3.235 2.600 66 HD21 ASN 13 1HD2 ASN 13 -14.242 5.580 1.877 67 HD22 ASN 13 2HD2 ASN 13 -15.333 5.871 3.185 68 H LEU 14 H LEU 14 -8.997 3.715 4.940 69 HA LEU 14 HA LEU 14 -8.006 2.295 2.593 70 HB2 LEU 14 1HB LEU 14 -6.566 4.011 3.349 71 HB3 LEU 14 2HB LEU 14 -6.677 3.466 5.021 72 HG LEU 14 HG LEU 14 -5.549 1.293 3.967 73 HD11 LEU 14 1HD1 LEU 14 -5.464 2.027 1.701 74 HD12 LEU 14 2HD1 LEU 14 -3.818 2.051 2.334 75 HD13 LEU 14 3HD1 LEU 14 -4.720 3.558 2.164 76 HD21 LEU 14 3HD2 LEU 14 -3.832 1.893 5.265 77 HD22 LEU 14 1HD2 LEU 14 -4.774 3.342 5.617 78 HD23 LEU 14 2HD2 LEU 14 -3.543 3.376 4.354 79 H GLN 15 H GLN 15 -7.847 0.157 2.509 80 HA GLN 15 HA GLN 15 -7.275 -1.403 4.872 81 HB2 GLN 15 1HB GLN 15 -9.938 -1.492 3.494 82 HB3 GLN 15 2HB GLN 15 -9.294 -2.933 4.269 83 HG2 GLN 15 1HG GLN 15 -9.034 -1.501 6.354 84 HG3 GLN 15 2HG GLN 15 -10.045 -0.318 5.527 85 HE21 GLN 15 1HE2 GLN 15 -10.159 -2.610 7.766 86 HE22 GLN 15 2HE2 GLN 15 -11.774 -3.189 7.562 87 H ALA 16 H ALA 16 -6.282 -3.317 4.407 88 HA ALA 16 HA ALA 16 -6.172 -4.143 1.586 89 HB1 ALA 16 3HB ALA 16 -3.888 -3.542 3.418 90 HB2 ALA 16 1HB ALA 16 -3.706 -4.740 2.136 91 HB3 ALA 16 2HB ALA 16 -4.128 -3.075 1.735 92 H VAL 17 H VAL 17 -6.611 -6.229 1.309 93 HA VAL 17 HA VAL 17 -5.886 -8.174 3.352 94 HB VAL 17 HB VAL 17 -8.154 -7.486 3.995 95 HG11 VAL 17 1HG1 VAL 17 -8.916 -8.405 1.225 96 HG12 VAL 17 2HG1 VAL 17 -10.053 -7.985 2.508 97 HG13 VAL 17 3HG1 VAL 17 -8.983 -6.753 1.839 98 HG21 VAL 17 3HG2 VAL 17 -7.704 -10.246 2.924 99 HG22 VAL 17 1HG2 VAL 17 -7.721 -9.687 4.596 100 HG23 VAL 17 2HG2 VAL 17 -9.231 -9.818 3.694 101 H SER 18 H SER 18 -5.573 -10.232 2.565 102 HA SER 18 HA SER 18 -5.436 -10.440 -0.338 103 HB2 SER 18 1HB SER 18 -3.465 -11.080 1.003 104 HB3 SER 18 2HB SER 18 -4.420 -12.330 1.800 105 HG SER 18 HG SER 18 -3.434 -12.228 -0.816 106 H THR 19 H THR 19 -6.632 -11.798 -1.561 107 HA THR 19 HA THR 19 -8.735 -13.322 -0.175 108 HB THR 19 HB THR 19 -10.191 -12.952 -1.944 109 HG1 THR 19 1HG THR 19 -9.272 -12.072 -4.008 110 HG21 THR 19 3HG2 THR 19 -9.882 -10.516 -2.632 111 HG22 THR 19 1HG2 THR 19 -8.404 -10.545 -1.671 112 HG23 THR 19 2HG2 THR 19 -9.963 -10.847 -0.902 113 H SER 20 H SER 20 -5.830 -13.811 -1.553 114 HA SER 20 HA SER 20 -6.467 -16.585 -2.179 115 HB2 SER 20 1HB SER 20 -4.609 -15.410 -4.133 116 HB3 SER 20 2HB SER 20 -5.938 -16.542 -4.379 117 HG SER 20 HG SER 20 -7.151 -14.932 -4.946 118 HA PRO 21 HA PRO 21 -2.588 -17.960 -0.638 119 HB2 PRO 21 1HB PRO 21 -1.441 -18.190 -3.382 120 HB3 PRO 21 2HB PRO 21 -1.488 -19.383 -2.078 121 HG2 PRO 21 1HG PRO 21 -3.152 -19.537 -4.174 122 HG3 PRO 21 2HG PRO 21 -3.665 -20.001 -2.541 123 HD2 PRO 21 1HD PRO 21 -4.366 -17.618 -4.140 124 HD3 PRO 21 2HD PRO 21 -5.295 -18.461 -2.884 125 H THR 22 H THR 22 -1.954 -15.941 -3.512 126 HA THR 22 HA THR 22 -0.178 -14.280 -1.862 127 HB THR 22 HB THR 22 1.506 -14.159 -3.552 128 HG1 THR 22 1HG THR 22 1.053 -15.728 -5.449 129 HG21 THR 22 3HG2 THR 22 1.999 -16.688 -3.894 130 HG22 THR 22 1HG2 THR 22 0.589 -16.926 -2.864 131 HG23 THR 22 2HG2 THR 22 1.981 -16.029 -2.259 132 H SER 23 H SER 23 -1.680 -12.628 -1.752 133 HA SER 23 HA SER 23 -1.755 -10.849 -3.980 134 HB2 SER 23 1HB SER 23 -4.271 -10.803 -4.156 135 HB3 SER 23 2HB SER 23 -3.517 -12.263 -4.796 136 HG SER 23 HG SER 23 -3.960 -13.154 -2.614 137 H ILE 24 H ILE 24 -3.282 -8.940 -3.458 138 HA ILE 24 HA ILE 24 -3.907 -8.506 -0.693 139 HB ILE 24 HB ILE 24 -1.600 -6.973 -1.897 140 HG12 ILE 24 1HG1 ILE 24 -1.798 -8.954 0.374 141 HG13 ILE 24 2HG1 ILE 24 -0.827 -9.087 -1.088 142 HG21 ILE 24 1HG2 ILE 24 -2.950 -5.448 -0.649 143 HG22 ILE 24 2HG2 ILE 24 -3.099 -6.588 0.686 144 HG23 ILE 24 3HG2 ILE 24 -1.539 -5.845 0.331 145 HD11 ILE 24 3HD1 ILE 24 0.626 -8.560 0.710 146 HD12 ILE 24 1HD1 ILE 24 0.483 -7.118 -0.294 147 HD13 ILE 24 2HD1 ILE 24 -0.401 -7.223 1.228 148 H LEU 25 H LEU 25 -5.877 -7.696 -1.092 149 HA LEU 25 HA LEU 25 -6.303 -5.804 -3.249 150 HB2 LEU 25 1HB LEU 25 -7.900 -7.659 -2.660 151 HB3 LEU 25 2HB LEU 25 -8.290 -6.755 -1.198 152 HG LEU 25 HG LEU 25 -9.120 -4.901 -2.590 153 HD11 LEU 25 1HD1 LEU 25 -9.402 -6.332 -5.057 154 HD12 LEU 25 2HD1 LEU 25 -7.698 -6.210 -4.622 155 HD13 LEU 25 3HD1 LEU 25 -8.679 -4.751 -4.757 156 HD21 LEU 25 3HD2 LEU 25 -10.264 -7.641 -2.719 157 HD22 LEU 25 1HD2 LEU 25 -11.009 -6.379 -3.701 158 HD23 LEU 25 2HD2 LEU 25 -10.896 -6.183 -1.951 159 H ILE 26 H ILE 26 -5.492 -3.832 -2.790 160 HA ILE 26 HA ILE 26 -5.984 -2.657 -0.158 161 HB ILE 26 HB ILE 26 -4.409 -1.410 -2.401 162 HG12 ILE 26 1HG1 ILE 26 -3.059 -2.868 -0.174 163 HG13 ILE 26 2HG1 ILE 26 -3.716 -3.813 -1.506 164 HG21 ILE 26 1HG2 ILE 26 -4.717 -0.922 0.531 165 HG22 ILE 26 2HG2 ILE 26 -3.235 -0.444 -0.296 166 HG23 ILE 26 3HG2 ILE 26 -4.786 0.223 -0.809 167 HD11 ILE 26 3HD1 ILE 26 -2.290 -1.693 -2.667 168 HD12 ILE 26 1HD1 ILE 26 -1.282 -2.333 -1.369 169 HD13 ILE 26 2HD1 ILE 26 -1.868 -3.405 -2.641 170 H THR 27 H THR 27 -7.779 -1.522 0.112 171 HA THR 27 HA THR 27 -8.820 0.033 -2.166 172 HB THR 27 HB THR 27 -11.064 -0.209 -1.228 173 HG1 THR 27 1HG THR 27 -9.629 -1.326 0.875 174 HG21 THR 27 3HG2 THR 27 -9.583 -2.202 -2.482 175 HG22 THR 27 1HG2 THR 27 -11.340 -2.116 -2.359 176 HG23 THR 27 2HG2 THR 27 -10.416 -3.033 -1.168 177 H TRP 28 H TRP 28 -8.176 2.074 -1.828 178 HA TRP 28 HA TRP 28 -8.607 3.224 0.852 179 HB2 TRP 28 1HB TRP 28 -6.811 4.809 0.365 180 HB3 TRP 28 2HB TRP 28 -6.230 3.153 0.210 181 HD1 TRP 28 HD TRP 28 -6.482 6.366 -1.673 182 HE1 TRP 28 1HE TRP 28 -5.602 6.052 -4.071 183 HE3 TRP 28 3HE TRP 28 -6.189 1.263 -1.768 184 HZ2 TRP 28 2HZ TRP 28 -4.879 3.922 -5.778 185 HZ3 TRP 28 3HZ TRP 28 -5.394 0.165 -3.822 186 HH2 TRP 28 HH TRP 28 -4.754 1.469 -5.784 187 H GLU 29 H GLU 29 -8.673 5.791 0.559 188 HA GLU 29 HA GLU 29 -10.277 6.550 -1.749 189 HB2 GLU 29 1HB GLU 29 -11.321 6.269 1.015 190 HB3 GLU 29 2HB GLU 29 -11.820 7.701 0.124 191 HG2 GLU 29 1HG GLU 29 -12.325 5.899 -1.750 192 HG3 GLU 29 2HG GLU 29 -12.470 4.849 -0.342 193 HA PRO 30 HA PRO 30 -8.335 10.458 -1.317 194 HB2 PRO 30 1HB PRO 30 -10.311 12.196 -1.986 195 HB3 PRO 30 2HB PRO 30 -9.509 11.152 -3.166 196 HG2 PRO 30 1HG PRO 30 -12.144 10.784 -1.793 197 HG3 PRO 30 2HG PRO 30 -11.720 10.510 -3.493 198 HD2 PRO 30 1HD PRO 30 -11.912 8.494 -1.696 199 HD3 PRO 30 2HD PRO 30 -10.771 8.456 -3.056 200 HA PRO 31 HA PRO 31 -9.282 11.694 2.864 201 HB2 PRO 31 1HB PRO 31 -7.250 13.478 3.101 202 HB3 PRO 31 2HB PRO 31 -7.010 11.730 3.203 203 HG2 PRO 31 1HG PRO 31 -6.562 13.572 0.886 204 HG3 PRO 31 2HG PRO 31 -5.547 12.240 1.469 205 HD2 PRO 31 1HD PRO 31 -7.205 11.985 -0.657 206 HD3 PRO 31 2HD PRO 31 -6.840 10.636 0.437 207 H ALA 32 H ALA 32 -10.159 13.490 3.912 208 HA ALA 32 HA ALA 32 -11.241 15.521 2.126 209 HB1 ALA 32 3HB ALA 32 -12.798 16.021 3.846 210 HB2 ALA 32 1HB ALA 32 -12.666 14.264 3.772 211 HB3 ALA 32 2HB ALA 32 -11.845 15.158 5.052 212 H TYR 33 H TYR 33 -9.455 15.383 5.203 213 HA TYR 33 HA TYR 33 -8.893 18.228 5.063 214 HB2 TYR 33 1HB TYR 33 -7.549 17.621 7.206 215 HB3 TYR 33 2HB TYR 33 -9.308 17.589 7.263 216 HD1 TYR 33 2HD TYR 33 -6.275 15.497 7.104 217 HD2 TYR 33 1HD TYR 33 -10.496 15.551 7.635 218 HE1 TYR 33 2HE TYR 33 -6.201 13.164 7.879 219 HE2 TYR 33 1HE TYR 33 -10.434 13.218 8.412 220 HH TYR 33 HH TYR 33 -8.630 11.170 7.945 221 H ALA 34 H ALA 34 -7.789 17.416 2.885 222 HA ALA 34 HA ALA 34 -4.939 16.944 3.471 223 HB1 ALA 34 3HB ALA 34 -6.530 15.417 1.893 224 HB2 ALA 34 1HB ALA 34 -5.841 16.528 0.708 225 HB3 ALA 34 2HB ALA 34 -4.780 15.546 1.720 226 H ASN 35 H ASN 35 -3.390 18.230 2.496 227 HA ASN 35 HA ASN 35 -4.239 20.881 1.804 228 HB2 ASN 35 1HB ASN 35 -2.092 20.122 3.075 229 HB3 ASN 35 2HB ASN 35 -1.425 19.891 1.461 230 HD21 ASN 35 1HD2 ASN 35 -0.686 21.779 3.568 231 HD22 ASN 35 2HD2 ASN 35 -0.816 23.350 2.862 232 H GLY 36 H GLY 36 -5.213 21.087 -0.135 233 HA2 GLY 36 1HA GLY 36 -5.291 21.360 -2.426 234 HA3 GLY 36 2HA GLY 36 -3.616 20.833 -2.500 235 HA PRO 37 HA PRO 37 -6.343 17.562 -4.387 236 HB2 PRO 37 1HB PRO 37 -4.922 17.348 -6.691 237 HB3 PRO 37 2HB PRO 37 -6.232 18.515 -6.475 238 HG2 PRO 37 1HG PRO 37 -3.274 18.929 -6.272 239 HG3 PRO 37 2HG PRO 37 -4.497 19.954 -7.045 240 HD2 PRO 37 1HD PRO 37 -3.484 20.492 -4.592 241 HD3 PRO 37 2HD PRO 37 -5.152 20.896 -5.047 242 H VAL 38 H VAL 38 -5.286 15.540 -5.687 243 HA VAL 38 HA VAL 38 -2.867 14.704 -4.241 244 HB VAL 38 HB VAL 38 -5.365 13.037 -4.571 245 HG11 VAL 38 1HG1 VAL 38 -3.258 11.999 -2.850 246 HG12 VAL 38 2HG1 VAL 38 -4.190 11.193 -4.114 247 HG13 VAL 38 3HG1 VAL 38 -2.763 12.141 -4.537 248 HG21 VAL 38 3HG2 VAL 38 -5.227 13.019 -2.037 249 HG22 VAL 38 1HG2 VAL 38 -4.071 14.342 -2.191 250 HG23 VAL 38 2HG2 VAL 38 -5.720 14.539 -2.784 251 H GLN 39 H GLN 39 -1.565 14.862 -6.039 252 HA GLN 39 HA GLN 39 -2.015 14.261 -8.638 253 HB2 GLN 39 1HB GLN 39 0.450 13.659 -7.003 254 HB3 GLN 39 2HB GLN 39 0.399 13.538 -8.757 255 HG2 GLN 39 1HG GLN 39 -0.392 15.975 -8.704 256 HG3 GLN 39 2HG GLN 39 0.183 15.977 -7.037 257 HE21 GLN 39 1HE2 GLN 39 2.425 15.494 -6.664 258 HE22 GLN 39 2HE2 GLN 39 3.598 15.868 -7.876 259 H GLY 40 H GLY 40 -1.395 11.940 -6.050 260 HA2 GLY 40 1HA GLY 40 -2.850 9.871 -7.247 261 HA3 GLY 40 2HA GLY 40 -1.159 9.643 -7.666 262 H TYR 41 H TYR 41 -1.053 7.705 -6.493 263 HA TYR 41 HA TYR 41 -0.697 8.111 -3.621 264 HB2 TYR 41 1HB TYR 41 -2.259 5.760 -4.695 265 HB3 TYR 41 2HB TYR 41 -1.996 6.188 -3.008 266 HD1 TYR 41 1HD TYR 41 -3.874 6.981 -6.055 267 HD2 TYR 41 2HD TYR 41 -3.275 7.957 -1.957 268 HE1 TYR 41 1HE TYR 41 -5.965 8.274 -6.064 269 HE2 TYR 41 2HE TYR 41 -5.366 9.252 -1.955 270 HH TYR 41 HH TYR 41 -6.965 10.169 -3.264 271 H ARG 42 H ARG 42 0.984 6.998 -2.775 272 HA ARG 42 HA ARG 42 2.427 5.193 -4.601 273 HB2 ARG 42 1HB ARG 42 3.415 7.459 -3.636 274 HB3 ARG 42 2HB ARG 42 3.771 6.439 -2.248 275 HG2 ARG 42 1HG ARG 42 5.015 4.909 -3.718 276 HG3 ARG 42 2HG ARG 42 4.699 5.990 -5.076 277 HD2 ARG 42 1HD ARG 42 5.966 7.076 -2.604 278 HD3 ARG 42 2HD ARG 42 6.946 6.144 -3.735 279 HE ARG 42 HE ARG 42 6.783 7.865 -5.269 280 HH11 ARG 42 1HH1 ARG 42 4.689 8.459 -2.552 281 HH12 ARG 42 2HH1 ARG 42 4.376 10.107 -2.987 282 HH21 ARG 42 1HH2 ARG 42 6.379 10.033 -5.852 283 HH22 ARG 42 2HH2 ARG 42 5.337 11.001 -4.865 284 H LEU 43 H LEU 43 2.944 3.171 -3.957 285 HA LEU 43 HA LEU 43 2.189 2.397 -1.216 286 HB2 LEU 43 1HB LEU 43 0.612 1.376 -2.606 287 HB3 LEU 43 2HB LEU 43 1.814 0.990 -3.835 288 HG LEU 43 HG LEU 43 2.791 -0.585 -2.009 289 HD11 LEU 43 1HD1 LEU 43 -0.026 -0.157 -1.032 290 HD12 LEU 43 2HD1 LEU 43 1.471 0.123 -0.143 291 HD13 LEU 43 3HD1 LEU 43 0.992 -1.521 -0.566 292 HD21 LEU 43 3HD2 LEU 43 1.675 -2.362 -2.992 293 HD22 LEU 43 1HD2 LEU 43 1.520 -1.093 -4.207 294 HD23 LEU 43 2HD2 LEU 43 0.164 -1.464 -3.142 295 H PHE 44 H PHE 44 3.548 1.062 -0.081 296 HA PHE 44 HA PHE 44 6.092 0.358 -1.388 297 HB2 PHE 44 1HB PHE 44 5.811 1.180 1.505 298 HB3 PHE 44 2HB PHE 44 7.302 0.925 0.603 299 HD1 PHE 44 2HD PHE 44 7.895 2.520 -1.238 300 HD2 PHE 44 1HD PHE 44 4.734 3.263 1.514 301 HE1 PHE 44 2HE PHE 44 7.945 4.908 -1.830 302 HE2 PHE 44 1HE PHE 44 4.778 5.652 0.926 303 HZ PHE 44 HZ PHE 44 6.387 6.477 -0.747 304 H CYS 45 H CYS 45 6.217 -1.776 -1.548 305 HA CYS 45 HA CYS 45 4.922 -3.452 0.473 306 HB2 CYS 45 1HB CYS 45 4.292 -4.032 -1.759 307 HB3 CYS 45 2HB CYS 45 5.968 -4.043 -2.296 308 HG CYS 45 HG CYS 45 5.615 -6.203 0.153 309 H THR 46 H THR 46 6.107 -4.229 2.075 310 HA THR 46 HA THR 46 8.982 -4.688 1.608 311 HB THR 46 HB THR 46 7.691 -4.083 4.273 312 HG1 THR 46 1HG THR 46 9.263 -2.107 3.527 313 HG21 THR 46 3HG2 THR 46 10.539 -4.364 3.338 314 HG22 THR 46 1HG2 THR 46 9.718 -5.248 4.624 315 HG23 THR 46 2HG2 THR 46 10.112 -3.542 4.839 316 H GLU 47 H GLU 47 9.869 -6.614 2.215 317 HA GLU 47 HA GLU 47 7.971 -8.702 3.022 318 HB2 GLU 47 1HB GLU 47 9.208 -9.055 0.915 319 HB3 GLU 47 2HB GLU 47 10.724 -8.970 1.802 320 HG2 GLU 47 1HG GLU 47 9.676 -10.914 3.196 321 HG3 GLU 47 2HG GLU 47 8.667 -11.121 1.766 322 H VAL 48 H VAL 48 7.956 -8.352 5.246 323 HA VAL 48 HA VAL 48 9.928 -7.833 7.009 324 HB VAL 48 HB VAL 48 7.819 -9.959 7.410 325 HG11 VAL 48 1HG1 VAL 48 9.400 -10.201 9.147 326 HG12 VAL 48 2HG1 VAL 48 9.572 -8.454 9.336 327 HG13 VAL 48 3HG1 VAL 48 8.079 -9.254 9.829 328 HG21 VAL 48 3HG2 VAL 48 6.968 -7.727 6.696 329 HG22 VAL 48 1HG2 VAL 48 6.427 -8.222 8.301 330 HG23 VAL 48 2HG2 VAL 48 7.719 -7.034 8.133 331 H SER 49 H SER 49 9.309 -10.972 5.506 332 HA SER 49 HA SER 49 11.026 -12.582 6.937 333 HB2 SER 49 1HB SER 49 10.289 -12.611 4.011 334 HB3 SER 49 2HB SER 49 11.286 -13.866 4.745 335 HG SER 49 HG SER 49 8.739 -13.135 5.743 336 H THR 50 H THR 50 11.840 -10.910 3.891 337 HA THR 50 HA THR 50 14.675 -11.286 4.435 338 HB THR 50 HB THR 50 15.027 -10.298 2.197 339 HG1 THR 50 1HG THR 50 13.388 -8.960 1.763 340 HG21 THR 50 3HG2 THR 50 13.557 -12.732 2.772 341 HG22 THR 50 1HG2 THR 50 14.877 -12.457 1.636 342 HG23 THR 50 2HG2 THR 50 13.214 -12.124 1.152 343 H GLY 51 H GLY 51 12.501 -8.554 3.684 344 HA2 GLY 51 1HA GLY 51 12.598 -6.592 5.146 345 HA3 GLY 51 2HA GLY 51 14.337 -6.831 5.229 346 H LYS 52 H LYS 52 12.703 -7.255 2.204 347 HA LYS 52 HA LYS 52 14.066 -4.868 1.185 348 HB2 LYS 52 1HB LYS 52 12.907 -7.280 -0.216 349 HB3 LYS 52 2HB LYS 52 13.560 -5.884 -1.063 350 HG2 LYS 52 1HG LYS 52 15.707 -6.322 0.259 351 HG3 LYS 52 2HG LYS 52 15.002 -7.899 0.621 352 HD2 LYS 52 1HD LYS 52 14.615 -7.907 -2.004 353 HD3 LYS 52 2HD LYS 52 15.986 -6.796 -1.958 354 HE2 LYS 52 1HE LYS 52 16.052 -9.423 -0.511 355 HE3 LYS 52 2HE LYS 52 16.457 -9.311 -2.223 356 HZ1 LYS 52 3HZ LYS 52 17.819 -7.946 0.031 357 HZ2 LYS 52 1HZ LYS 52 18.127 -7.602 -1.596 358 HZ3 LYS 52 2HZ LYS 52 18.458 -9.142 -0.980 359 H GLU 53 H GLU 53 12.988 -3.128 0.479 360 HA GLU 53 HA GLU 53 10.048 -3.291 0.400 361 HB2 GLU 53 1HB GLU 53 10.755 -1.795 2.132 362 HB3 GLU 53 2HB GLU 53 11.885 -0.988 1.054 363 HG2 GLU 53 1HG GLU 53 9.842 -0.331 -0.319 364 HG3 GLU 53 2HG GLU 53 8.894 -0.830 1.081 365 H GLN 54 H GLN 54 9.042 -2.925 -1.467 366 HA GLN 54 HA GLN 54 10.595 -1.724 -3.665 367 HB2 GLN 54 1HB GLN 54 9.246 -3.068 -5.209 368 HB3 GLN 54 2HB GLN 54 10.109 -4.085 -4.063 369 HG2 GLN 54 1HG GLN 54 8.045 -4.274 -2.726 370 HG3 GLN 54 2HG GLN 54 7.197 -3.336 -3.955 371 HE21 GLN 54 1HE2 GLN 54 6.075 -5.618 -3.522 372 HE22 GLN 54 2HE2 GLN 54 6.446 -6.798 -4.728 373 H ASN 55 H ASN 55 9.908 0.208 -4.275 374 HA ASN 55 HA ASN 55 7.373 1.238 -3.399 375 HB2 ASN 55 1HB ASN 55 9.050 2.671 -5.414 376 HB3 ASN 55 2HB ASN 55 8.151 3.316 -4.044 377 HD21 ASN 55 1HD2 ASN 55 9.529 4.259 -2.729 378 HD22 ASN 55 2HD2 ASN 55 11.041 3.610 -2.204 379 H ILE 56 H ILE 56 5.537 1.515 -4.544 380 HA ILE 56 HA ILE 56 5.582 0.869 -7.414 381 HB ILE 56 HB ILE 56 3.547 -0.126 -5.415 382 HG12 ILE 56 1HG1 ILE 56 5.130 -1.901 -7.219 383 HG13 ILE 56 2HG1 ILE 56 5.931 -1.229 -5.804 384 HG21 ILE 56 1HG2 ILE 56 2.568 0.555 -7.588 385 HG22 ILE 56 2HG2 ILE 56 3.644 -0.586 -8.392 386 HG23 ILE 56 3HG2 ILE 56 2.420 -1.172 -7.266 387 HD11 ILE 56 3HD1 ILE 56 3.303 -2.622 -5.539 388 HD12 ILE 56 1HD1 ILE 56 4.807 -3.537 -5.638 389 HD13 ILE 56 2HD1 ILE 56 4.566 -2.375 -4.333 390 H GLU 57 H GLU 57 4.040 1.916 -8.690 391 HA GLU 57 HA GLU 57 2.624 4.131 -7.356 392 HB2 GLU 57 1HB GLU 57 4.301 4.057 -9.806 393 HB3 GLU 57 2HB GLU 57 2.873 5.081 -9.850 394 HG2 GLU 57 1HG GLU 57 3.809 5.942 -7.557 395 HG3 GLU 57 2HG GLU 57 5.330 5.322 -8.196 396 H VAL 58 H VAL 58 0.584 3.370 -7.212 397 HA VAL 58 HA VAL 58 -0.648 2.218 -9.621 398 HB VAL 58 HB VAL 58 -2.408 1.367 -8.146 399 HG11 VAL 58 1HG1 VAL 58 -0.523 -0.072 -8.557 400 HG12 VAL 58 2HG1 VAL 58 0.397 0.699 -7.263 401 HG13 VAL 58 3HG1 VAL 58 -1.033 -0.261 -6.879 402 HG21 VAL 58 3HG2 VAL 58 -1.771 3.351 -6.448 403 HG22 VAL 58 1HG2 VAL 58 -2.654 1.903 -5.963 404 HG23 VAL 58 2HG2 VAL 58 -0.917 2.012 -5.680 405 H ASP 59 H ASP 59 -3.061 2.727 -9.800 406 HA ASP 59 HA ASP 59 -3.620 5.515 -9.060 407 HB2 ASP 59 1HB ASP 59 -4.690 5.744 -11.372 408 HB3 ASP 59 2HB ASP 59 -2.930 5.757 -11.305 409 H GLY 60 H GLY 60 -5.871 6.071 -9.007 410 HA2 GLY 60 1HA GLY 60 -8.176 5.556 -9.027 411 HA3 GLY 60 2HA GLY 60 -7.770 3.853 -9.178 412 H LEU 61 H LEU 61 -9.158 3.257 -7.499 413 HA LEU 61 HA LEU 61 -8.100 3.851 -4.826 414 HB2 LEU 61 1HB LEU 61 -11.024 3.784 -5.559 415 HB3 LEU 61 2HB LEU 61 -10.372 3.983 -3.934 416 HG LEU 61 HG LEU 61 -10.056 5.940 -6.210 417 HD11 LEU 61 1HD1 LEU 61 -12.301 5.502 -4.738 418 HD12 LEU 61 2HD1 LEU 61 -11.860 7.042 -5.474 419 HD13 LEU 61 3HD1 LEU 61 -11.481 6.735 -3.779 420 HD21 LEU 61 3HD2 LEU 61 -9.510 7.066 -3.670 421 HD22 LEU 61 1HD2 LEU 61 -8.413 6.852 -5.034 422 HD23 LEU 61 2HD2 LEU 61 -8.561 5.586 -3.816 423 H SER 62 H SER 62 -7.669 1.579 -6.525 424 HA SER 62 HA SER 62 -8.131 -0.500 -4.682 425 HB2 SER 62 1HB SER 62 -9.757 -1.854 -5.835 426 HB3 SER 62 2HB SER 62 -10.456 -0.252 -5.600 427 HG SER 62 HG SER 62 -9.682 0.187 -7.799 428 H TYR 63 H TYR 63 -6.401 -1.731 -4.938 429 HA TYR 63 HA TYR 63 -5.530 -2.445 -7.642 430 HB2 TYR 63 1HB TYR 63 -4.168 -0.506 -6.891 431 HB3 TYR 63 2HB TYR 63 -3.640 -1.447 -5.500 432 HD1 TYR 63 2HD TYR 63 -2.100 -3.327 -5.783 433 HD2 TYR 63 1HD TYR 63 -3.289 -0.940 -9.098 434 HE1 TYR 63 2HE TYR 63 -0.244 -4.251 -7.106 435 HE2 TYR 63 1HE TYR 63 -1.437 -1.858 -10.431 436 HH TYR 63 HH TYR 63 0.066 -3.628 -10.521 437 H LYS 64 H LYS 64 -5.270 -4.564 -7.803 438 HA LYS 64 HA LYS 64 -5.050 -6.157 -5.360 439 HB2 LYS 64 1HB LYS 64 -6.753 -6.536 -7.317 440 HB3 LYS 64 2HB LYS 64 -5.392 -7.333 -8.095 441 HG2 LYS 64 1HG LYS 64 -5.201 -8.859 -6.192 442 HG3 LYS 64 2HG LYS 64 -6.576 -8.063 -5.423 443 HD2 LYS 64 1HD LYS 64 -7.798 -8.626 -7.654 444 HD3 LYS 64 2HD LYS 64 -6.507 -9.814 -7.847 445 HE2 LYS 64 1HE LYS 64 -8.090 -11.066 -6.752 446 HE3 LYS 64 2HE LYS 64 -7.151 -10.456 -5.390 447 HZ1 LYS 64 3HZ LYS 64 -8.782 -8.793 -4.977 448 HZ2 LYS 64 1HZ LYS 64 -9.596 -10.270 -5.117 449 HZ3 LYS 64 2HZ LYS 64 -9.625 -9.165 -6.396 450 H LEU 65 H LEU 65 -3.026 -6.520 -4.718 451 HA LEU 65 HA LEU 65 -0.809 -6.559 -6.532 452 HB2 LEU 65 1HB LEU 65 -1.026 -5.972 -3.933 453 HB3 LEU 65 2HB LEU 65 -0.522 -7.655 -3.796 454 HG LEU 65 HG LEU 65 1.361 -6.807 -5.484 455 HD11 LEU 65 1HD1 LEU 65 1.892 -4.475 -4.163 456 HD12 LEU 65 2HD1 LEU 65 0.147 -4.382 -4.401 457 HD13 LEU 65 3HD1 LEU 65 1.215 -4.598 -5.787 458 HD21 LEU 65 3HD2 LEU 65 1.746 -7.900 -3.342 459 HD22 LEU 65 1HD2 LEU 65 1.395 -6.393 -2.496 460 HD23 LEU 65 2HD2 LEU 65 2.814 -6.510 -3.536 461 H GLU 66 H GLU 66 0.516 -8.305 -7.076 462 HA GLU 66 HA GLU 66 -0.347 -10.987 -6.331 463 HB2 GLU 66 1HB GLU 66 0.005 -10.271 -9.239 464 HB3 GLU 66 2HB GLU 66 -0.607 -11.775 -8.565 465 HG2 GLU 66 1HG GLU 66 -2.518 -10.383 -7.622 466 HG3 GLU 66 2HG GLU 66 -1.962 -9.106 -8.703 467 H GLY 67 H GLY 67 1.215 -12.650 -6.934 468 HA2 GLY 67 1HA GLY 67 3.356 -13.397 -7.529 469 HA3 GLY 67 2HA GLY 67 3.842 -11.729 -7.789 470 H LEU 68 H LEU 68 2.258 -12.855 -4.872 471 HA LEU 68 HA LEU 68 4.661 -12.117 -3.364 472 HB2 LEU 68 1HB LEU 68 1.831 -12.560 -2.423 473 HB3 LEU 68 2HB LEU 68 3.176 -12.026 -1.418 474 HG LEU 68 HG LEU 68 2.501 -10.370 -3.787 475 HD11 LEU 68 1HD1 LEU 68 0.868 -9.183 -2.101 476 HD12 LEU 68 2HD1 LEU 68 0.697 -10.818 -1.465 477 HD13 LEU 68 3HD1 LEU 68 0.308 -10.484 -3.152 478 HD21 LEU 68 3HD2 LEU 68 2.880 -8.641 -1.853 479 HD22 LEU 68 1HD2 LEU 68 4.247 -9.457 -2.612 480 HD23 LEU 68 2HD2 LEU 68 3.639 -10.019 -1.054 481 H LYS 69 H LYS 69 4.514 -13.440 -1.083 482 HA LYS 69 HA LYS 69 5.052 -16.185 -1.876 483 HB2 LYS 69 1HB LYS 69 5.531 -14.661 0.685 484 HB3 LYS 69 2HB LYS 69 5.882 -16.375 0.506 485 HG2 LYS 69 1HG LYS 69 7.517 -15.928 -1.186 486 HG3 LYS 69 2HG LYS 69 7.078 -14.218 -1.219 487 HD2 LYS 69 1HD LYS 69 7.878 -13.933 1.047 488 HD3 LYS 69 2HD LYS 69 8.214 -15.661 1.177 489 HE2 LYS 69 1HE LYS 69 10.269 -14.471 0.750 490 HE3 LYS 69 2HE LYS 69 9.851 -15.446 -0.658 491 HZ1 LYS 69 3HZ LYS 69 8.818 -12.750 -0.717 492 HZ2 LYS 69 1HZ LYS 69 9.595 -13.639 -1.928 493 HZ3 LYS 69 2HZ LYS 69 10.507 -12.845 -0.746 494 H LYS 70 H LYS 70 3.817 -17.899 -1.391 495 HA LYS 70 HA LYS 70 1.233 -18.013 -0.965 496 HB2 LYS 70 1HB LYS 70 2.962 -19.942 -0.956 497 HB3 LYS 70 2HB LYS 70 2.902 -19.788 0.795 498 HG2 LYS 70 1HG LYS 70 1.383 -21.486 0.283 499 HG3 LYS 70 2HG LYS 70 0.383 -20.061 0.575 500 HD2 LYS 70 1HD LYS 70 -0.545 -20.928 -1.361 501 HD3 LYS 70 2HD LYS 70 0.574 -19.717 -1.992 502 HE2 LYS 70 1HE LYS 70 1.296 -22.622 -1.668 503 HE3 LYS 70 2HE LYS 70 0.602 -21.962 -3.149 504 HZ1 LYS 70 3HZ LYS 70 2.564 -20.276 -2.885 505 HZ2 LYS 70 1HZ LYS 70 2.816 -21.789 -3.600 506 HZ3 LYS 70 2HZ LYS 70 3.258 -21.531 -1.988 507 H PHE 71 H PHE 71 3.206 -18.396 1.972 508 HA PHE 71 HA PHE 71 1.312 -16.641 3.382 509 HB2 PHE 71 1HB PHE 71 0.862 -19.052 3.864 510 HB3 PHE 71 2HB PHE 71 2.491 -19.182 4.520 511 HD1 PHE 71 1HD PHE 71 3.074 -17.471 6.410 512 HD2 PHE 71 2HD PHE 71 -0.881 -18.568 5.283 513 HE1 PHE 71 1HE PHE 71 2.249 -16.739 8.609 514 HE2 PHE 71 2HE PHE 71 -1.713 -17.838 7.480 515 HZ PHE 71 HZ PHE 71 -0.148 -16.921 9.146 516 H THR 72 H THR 72 2.570 -14.878 3.647 517 HA THR 72 HA THR 72 4.857 -15.128 5.420 518 HB THR 72 HB THR 72 5.117 -13.862 2.686 519 HG1 THR 72 1HG THR 72 5.375 -16.186 2.828 520 HG21 THR 72 3HG2 THR 72 7.584 -13.711 3.601 521 HG22 THR 72 1HG2 THR 72 6.767 -13.672 5.163 522 HG23 THR 72 2HG2 THR 72 6.411 -12.443 3.950 523 H GLU 73 H GLU 73 4.708 -13.596 6.915 524 HA GLU 73 HA GLU 73 2.750 -11.613 6.935 525 HB2 GLU 73 1HB GLU 73 3.833 -12.448 8.968 526 HB3 GLU 73 2HB GLU 73 5.349 -11.704 8.477 527 HG2 GLU 73 1HG GLU 73 4.422 -9.510 8.711 528 HG3 GLU 73 2HG GLU 73 2.815 -10.172 9.007 529 H TYR 74 H TYR 74 2.654 -10.158 5.319 530 HA TYR 74 HA TYR 74 5.097 -8.729 4.552 531 HB2 TYR 74 1HB TYR 74 2.435 -9.142 3.222 532 HB3 TYR 74 2HB TYR 74 3.492 -7.828 2.718 533 HD1 TYR 74 2HD TYR 74 5.989 -8.567 2.224 534 HD2 TYR 74 1HD TYR 74 2.631 -11.179 2.153 535 HE1 TYR 74 2HE TYR 74 7.235 -10.120 0.780 536 HE2 TYR 74 1HE TYR 74 3.868 -12.740 0.709 537 HH TYR 74 HH TYR 74 6.118 -12.210 -1.070 538 H SER 75 H SER 75 5.240 -6.493 4.604 539 HA SER 75 HA SER 75 3.110 -5.105 6.092 540 HB2 SER 75 1HB SER 75 5.139 -5.541 7.488 541 HB3 SER 75 2HB SER 75 6.078 -4.573 6.351 542 HG SER 75 HG SER 75 3.764 -3.539 7.589 543 H LEU 76 H LEU 76 2.155 -3.752 4.724 544 HA LEU 76 HA LEU 76 3.778 -2.390 2.693 545 HB2 LEU 76 1HB LEU 76 0.779 -2.430 2.829 546 HB3 LEU 76 2HB LEU 76 1.806 -2.062 1.445 547 HG LEU 76 HG LEU 76 1.387 -4.778 2.692 548 HD11 LEU 76 1HD1 LEU 76 -0.534 -4.092 1.426 549 HD12 LEU 76 2HD1 LEU 76 0.365 -5.288 0.492 550 HD13 LEU 76 3HD1 LEU 76 0.484 -3.577 0.080 551 HD21 LEU 76 3HD2 LEU 76 2.944 -4.111 0.204 552 HD22 LEU 76 1HD2 LEU 76 2.827 -5.664 1.032 553 HD23 LEU 76 2HD2 LEU 76 3.695 -4.327 1.786 554 H ARG 77 H ARG 77 3.028 -0.120 2.162 555 HA ARG 77 HA ARG 77 2.000 1.356 4.457 556 HB2 ARG 77 1HB ARG 77 4.397 1.350 4.846 557 HB3 ARG 77 2HB ARG 77 4.696 1.896 3.202 558 HG2 ARG 77 1HG ARG 77 3.529 4.002 3.716 559 HG3 ARG 77 2HG ARG 77 3.317 3.453 5.379 560 HD2 ARG 77 1HD ARG 77 5.986 3.768 4.014 561 HD3 ARG 77 2HD ARG 77 5.250 4.989 5.051 562 HE ARG 77 HE ARG 77 5.587 2.359 6.226 563 HH11 ARG 77 1HH1 ARG 77 6.861 5.571 5.805 564 HH12 ARG 77 2HH1 ARG 77 7.880 5.491 7.204 565 HH21 ARG 77 1HH2 ARG 77 6.924 2.241 8.070 566 HH22 ARG 77 2HH2 ARG 77 7.916 3.596 8.491 567 H PHE 78 H PHE 78 0.453 2.627 3.703 568 HA PHE 78 HA PHE 78 0.667 3.639 0.949 569 HB2 PHE 78 1HB PHE 78 -1.341 2.175 1.881 570 HB3 PHE 78 2HB PHE 78 -1.904 3.740 2.461 571 HD1 PHE 78 1HD PHE 78 -0.599 2.138 -0.643 572 HD2 PHE 78 2HD PHE 78 -3.227 5.011 1.078 573 HE1 PHE 78 1HE PHE 78 -1.521 2.626 -2.871 574 HE2 PHE 78 2HE PHE 78 -4.153 5.502 -1.147 575 HZ PHE 78 HZ PHE 78 -3.301 4.309 -3.126 576 H LEU 79 H LEU 79 0.299 5.804 0.499 577 HA LEU 79 HA LEU 79 -0.374 7.670 2.583 578 HB2 LEU 79 1HB LEU 79 1.668 8.901 2.608 579 HB3 LEU 79 2HB LEU 79 2.031 7.218 2.982 580 HG LEU 79 HG LEU 79 2.660 7.014 0.497 581 HD11 LEU 79 1HD1 LEU 79 1.972 8.901 -0.584 582 HD12 LEU 79 2HD1 LEU 79 3.623 9.373 -0.185 583 HD13 LEU 79 3HD1 LEU 79 2.280 9.945 0.804 584 HD21 LEU 79 3HD2 LEU 79 4.350 8.714 2.328 585 HD22 LEU 79 1HD2 LEU 79 4.921 7.778 0.947 586 HD23 LEU 79 2HD2 LEU 79 4.258 6.952 2.358 587 H ALA 80 H ALA 80 -0.432 9.920 1.765 588 HA ALA 80 HA ALA 80 -1.107 9.929 -1.097 589 HB1 ALA 80 3HB ALA 80 -2.031 12.292 0.149 590 HB2 ALA 80 1HB ALA 80 -2.978 10.940 -0.474 591 HB3 ALA 80 2HB ALA 80 -2.442 10.942 1.207 592 H TYR 81 H TYR 81 -0.199 11.371 -2.490 593 HA TYR 81 HA TYR 81 1.638 13.388 -1.420 594 HB2 TYR 81 1HB TYR 81 3.421 12.742 -2.899 595 HB3 TYR 81 2HB TYR 81 2.931 11.320 -1.986 596 HD1 TYR 81 1HD TYR 81 2.309 13.021 -5.249 597 HD2 TYR 81 2HD TYR 81 2.494 9.343 -3.118 598 HE1 TYR 81 1HE TYR 81 1.980 11.792 -7.354 599 HE2 TYR 81 2HE TYR 81 2.166 8.104 -5.217 600 HH TYR 81 HH TYR 81 2.093 8.259 -7.455 601 H ASN 82 H ASN 82 1.535 15.286 -2.460 602 HA ASN 82 HA ASN 82 0.212 15.359 -5.089 603 HB2 ASN 82 1HB ASN 82 -1.195 17.080 -4.475 604 HB3 ASN 82 2HB ASN 82 -1.101 16.192 -2.957 605 HD21 ASN 82 1HD2 ASN 82 -0.091 17.095 -1.218 606 HD22 ASN 82 2HD2 ASN 82 0.464 18.731 -1.186 607 H ARG 83 H ARG 83 0.478 17.866 -5.858 608 HA ARG 83 HA ARG 83 2.880 18.223 -6.949 609 HB2 ARG 83 1HB ARG 83 1.302 19.840 -7.523 610 HB3 ARG 83 2HB ARG 83 0.974 20.256 -5.846 611 HG2 ARG 83 1HG ARG 83 2.788 21.644 -5.688 612 HG3 ARG 83 2HG ARG 83 3.682 20.797 -6.951 613 HD2 ARG 83 1HD ARG 83 2.265 21.741 -8.654 614 HD3 ARG 83 2HD ARG 83 1.225 22.474 -7.434 615 HE ARG 83 HE ARG 83 3.996 23.298 -7.350 616 HH11 ARG 83 1HH1 ARG 83 0.799 23.944 -8.566 617 HH12 ARG 83 2HH1 ARG 83 1.108 25.623 -8.860 618 HH21 ARG 83 1HH2 ARG 83 4.416 25.507 -7.733 619 HH22 ARG 83 2HH2 ARG 83 3.166 26.511 -8.386 620 H TYR 84 H TYR 84 2.090 19.084 -3.616 621 HA TYR 84 HA TYR 84 4.606 20.265 -3.023 622 HB2 TYR 84 1HB TYR 84 2.773 19.004 -0.991 623 HB3 TYR 84 2HB TYR 84 3.866 20.367 -0.778 624 HD1 TYR 84 1HD TYR 84 2.911 21.570 -3.570 625 HD2 TYR 84 2HD TYR 84 0.941 20.319 -0.012 626 HE1 TYR 84 1HE TYR 84 1.068 23.126 -4.051 627 HE2 TYR 84 2HE TYR 84 -0.908 21.871 -0.484 628 HH TYR 84 HH TYR 84 -1.304 23.929 -1.758 629 H GLY 85 H GLY 85 3.210 17.103 -2.126 630 HA2 GLY 85 1HA GLY 85 5.172 15.391 -2.715 631 HA3 GLY 85 2HA GLY 85 5.829 16.162 -1.279 632 HA PRO 86 HA PRO 86 3.214 12.494 -0.048 633 HB2 PRO 86 1HB PRO 86 5.137 11.286 1.440 634 HB3 PRO 86 2HB PRO 86 4.947 11.005 -0.295 635 HG2 PRO 86 1HG PRO 86 6.867 12.804 1.134 636 HG3 PRO 86 2HG PRO 86 7.159 11.721 -0.240 637 HD2 PRO 86 1HD PRO 86 6.814 14.390 -0.537 638 HD3 PRO 86 2HD PRO 86 6.296 13.218 -1.765 639 H GLY 87 H GLY 87 1.897 12.902 1.608 640 HA2 GLY 87 1HA GLY 87 2.780 14.637 3.770 641 HA3 GLY 87 2HA GLY 87 1.138 14.084 3.480 642 H VAL 88 H VAL 88 0.637 13.301 5.467 643 HA VAL 88 HA VAL 88 2.416 11.734 7.041 644 HB VAL 88 HB VAL 88 -0.583 12.032 7.251 645 HG11 VAL 88 1HG1 VAL 88 -0.449 11.091 9.418 646 HG12 VAL 88 2HG1 VAL 88 0.443 10.001 8.355 647 HG13 VAL 88 3HG1 VAL 88 1.314 11.122 9.401 648 HG21 VAL 88 3HG2 VAL 88 -0.253 13.822 8.677 649 HG22 VAL 88 1HG2 VAL 88 1.408 13.358 9.042 650 HG23 VAL 88 2HG2 VAL 88 1.016 14.074 7.479 651 H SER 89 H SER 89 2.821 9.621 6.989 652 HA SER 89 HA SER 89 1.388 7.970 5.066 653 HB2 SER 89 1HB SER 89 3.715 7.072 6.756 654 HB3 SER 89 2HB SER 89 3.203 6.467 5.180 655 HG SER 89 HG SER 89 3.887 8.417 4.264 656 H THR 90 H THR 90 0.467 5.947 5.587 657 HA THR 90 HA THR 90 -0.868 5.914 8.132 658 HB THR 90 HB THR 90 -1.980 3.879 7.303 659 HG1 THR 90 1HG THR 90 -0.045 4.147 5.257 660 HG21 THR 90 3HG2 THR 90 -2.694 6.227 6.638 661 HG22 THR 90 1HG2 THR 90 -3.266 4.915 5.610 662 HG23 THR 90 2HG2 THR 90 -1.913 5.917 5.088 663 H ASP 91 H ASP 91 -1.020 3.771 9.340 664 HA ASP 91 HA ASP 91 1.590 3.076 10.249 665 HB2 ASP 91 1HB ASP 91 -1.081 1.805 10.890 666 HB3 ASP 91 2HB ASP 91 0.419 1.542 11.775 667 H ASP 92 H ASP 92 2.819 1.314 9.846 668 HA ASP 92 HA ASP 92 2.841 -0.022 7.511 669 HB2 ASP 92 1HB ASP 92 3.890 -1.982 8.891 670 HB3 ASP 92 2HB ASP 92 4.710 -0.424 8.822 671 H ILE 93 H ILE 93 1.246 -1.043 6.499 672 HA ILE 93 HA ILE 93 -0.847 -2.405 7.928 673 HB ILE 93 HB ILE 93 -0.298 -2.273 4.961 674 HG12 ILE 93 1HG1 ILE 93 -2.361 -0.756 6.563 675 HG13 ILE 93 2HG1 ILE 93 -0.779 -0.095 6.164 676 HG21 ILE 93 1HG2 ILE 93 -2.836 -2.819 4.955 677 HG22 ILE 93 2HG2 ILE 93 -1.668 -4.121 5.177 678 HG23 ILE 93 3HG2 ILE 93 -2.521 -3.456 6.569 679 HD11 ILE 93 3HD1 ILE 93 -1.405 0.419 4.095 680 HD12 ILE 93 1HD1 ILE 93 -2.190 -1.141 3.848 681 HD13 ILE 93 2HD1 ILE 93 -3.053 0.161 4.667 682 H THR 94 H THR 94 -0.341 -4.287 8.866 683 HA THR 94 HA THR 94 1.420 -6.173 7.499 684 HB THR 94 HB THR 94 0.177 -6.523 10.226 685 HG1 THR 94 1HG THR 94 1.524 -5.062 10.930 686 HG21 THR 94 3HG2 THR 94 2.541 -7.746 8.812 687 HG22 THR 94 1HG2 THR 94 1.096 -8.560 9.408 688 HG23 THR 94 2HG2 THR 94 2.270 -7.901 10.547 689 H VAL 95 H VAL 95 0.517 -7.552 6.124 690 HA VAL 95 HA VAL 95 -2.006 -8.852 6.893 691 HB VAL 95 HB VAL 95 -1.346 -7.809 4.135 692 HG11 VAL 95 1HG1 VAL 95 -3.255 -9.830 5.091 693 HG12 VAL 95 2HG1 VAL 95 -3.929 -8.609 4.010 694 HG13 VAL 95 3HG1 VAL 95 -2.559 -9.591 3.489 695 HG21 VAL 95 3HG2 VAL 95 -3.860 -6.926 5.115 696 HG22 VAL 95 1HG2 VAL 95 -2.647 -6.610 6.355 697 HG23 VAL 95 2HG2 VAL 95 -2.433 -5.965 4.727 698 H VAL 96 H VAL 96 -1.405 -10.891 7.272 699 HA VAL 96 HA VAL 96 0.764 -12.155 5.886 700 HB VAL 96 HB VAL 96 -1.300 -13.402 7.706 701 HG11 VAL 96 1HG1 VAL 96 0.996 -14.450 6.237 702 HG12 VAL 96 2HG1 VAL 96 1.023 -14.830 7.960 703 HG13 VAL 96 3HG1 VAL 96 -0.363 -15.298 6.974 704 HG21 VAL 96 3HG2 VAL 96 1.198 -11.878 8.231 705 HG22 VAL 96 1HG2 VAL 96 -0.313 -11.923 9.140 706 HG23 VAL 96 2HG2 VAL 96 0.832 -13.259 9.265 707 H THR 97 H THR 97 0.576 -12.833 3.859 708 HA THR 97 HA THR 97 -1.716 -13.157 2.377 709 HB THR 97 HB THR 97 -0.311 -14.788 0.964 710 HG1 THR 97 1HG THR 97 1.610 -15.310 1.701 711 HG21 THR 97 3HG2 THR 97 1.321 -12.861 0.378 712 HG22 THR 97 1HG2 THR 97 0.411 -11.943 1.577 713 HG23 THR 97 2HG2 THR 97 -0.411 -12.604 0.163 714 H LEU 98 H LEU 98 -2.975 -14.928 1.731 715 HA LEU 98 HA LEU 98 -3.731 -16.717 3.729 716 HB2 LEU 98 1HB LEU 98 -4.118 -17.185 0.784 717 HB3 LEU 98 2HB LEU 98 -5.131 -17.750 2.111 718 HG LEU 98 HG LEU 98 -4.878 -14.931 1.074 719 HD11 LEU 98 1HD1 LEU 98 -7.285 -16.730 1.259 720 HD12 LEU 98 2HD1 LEU 98 -6.299 -16.550 -0.191 721 HD13 LEU 98 3HD1 LEU 98 -7.170 -15.162 0.460 722 HD21 LEU 98 3HD2 LEU 98 -5.493 -14.184 3.070 723 HD22 LEU 98 1HD2 LEU 98 -5.502 -15.827 3.711 724 HD23 LEU 98 2HD2 LEU 98 -6.958 -15.162 2.969 725 H SER 99 H SER 99 -3.925 -19.225 2.851 726 HA SER 99 HA SER 99 -1.221 -20.121 2.150 727 HB2 SER 99 1HB SER 99 -1.060 -20.413 4.454 728 HB3 SER 99 2HB SER 99 -2.771 -20.805 4.626 729 HG SER 99 HG SER 99 -2.385 -22.834 4.056 730 H ASP 100 H ASP 100 -1.466 -21.251 0.345 731 HA ASP 100 HA ASP 100 -3.939 -22.558 -0.318 732 HB2 ASP 100 1HB ASP 100 -2.378 -21.422 -1.969 733 HB3 ASP 100 2HB ASP 100 -1.311 -22.811 -1.782 734 H SER 101 H SER 101 -4.133 -24.095 1.372 735 HA SER 101 HA SER 101 -3.026 -26.641 0.743 736 HB2 SER 101 1HB SER 101 -1.151 -25.462 2.029 737 HB3 SER 101 2HB SER 101 -2.199 -25.575 3.442 738 HG SER 101 HG SER 101 -0.632 -27.458 2.357 739 H GLY 102 H GLY 102 -4.364 -28.215 1.427 740 HA2 GLY 102 1HA GLY 102 -5.899 -28.053 3.826 741 HA3 GLY 102 2HA GLY 102 -6.886 -27.688 2.418 742 HA PRO 103 HA PRO 103 -7.584 -31.966 1.778 743 HB2 PRO 103 1HB PRO 103 -7.808 -32.076 -0.925 744 HB3 PRO 103 2HB PRO 103 -9.047 -31.361 0.113 745 HG2 PRO 103 1HG PRO 103 -6.893 -30.013 -1.470 746 HG3 PRO 103 2HG PRO 103 -8.597 -29.556 -1.283 747 HD2 PRO 103 1HD PRO 103 -6.606 -28.355 0.104 748 HD3 PRO 103 2HD PRO 103 -8.237 -28.570 0.770 749 H SER 104 H SER 104 -5.392 -32.525 2.516 750 HA SER 104 HA SER 104 -3.588 -33.256 0.307 751 HB2 SER 104 1HB SER 104 -2.694 -31.710 2.081 752 HB3 SER 104 2HB SER 104 -2.882 -33.025 3.240 753 HG SER 104 HG SER 104 -1.458 -33.482 0.868 754 H SER 105 H SER 105 -4.245 -35.259 -0.284 755 HA SER 105 HA SER 105 -4.214 -37.332 1.809 756 HB2 SER 105 1HB SER 105 -6.089 -37.000 -0.527 757 HB3 SER 105 2HB SER 105 -5.850 -38.565 0.249 758 HG SER 105 HG SER 105 -6.946 -36.200 1.323 759 H GLY 106 H GLY 106 -2.272 -38.269 1.532 760 HA2 GLY 106 1HA GLY 106 -1.462 -38.980 -1.214 761 HA3 GLY 106 2HA GLY 106 -0.357 -38.770 0.135 Start of MODEL 2 1 H1 GLY 1 H GLY 1 15.779 27.218 -3.769 2 HA2 GLY 1 1HA GLY 1 17.405 25.067 -4.255 3 HA3 GLY 1 2HA GLY 1 17.442 25.252 -2.508 4 H SER 2 H SER 2 15.014 25.769 -1.700 5 HA SER 2 HA SER 2 13.107 24.022 -3.040 6 HB2 SER 2 1HB SER 2 14.261 22.479 -1.558 7 HB3 SER 2 2HB SER 2 14.034 23.572 -0.193 8 HG SER 2 HG SER 2 12.495 21.764 -0.423 9 H SER 3 H SER 3 11.237 25.057 -3.117 10 HA SER 3 HA SER 3 10.732 27.434 -1.669 11 HB2 SER 3 1HB SER 3 8.473 27.312 -2.678 12 HB3 SER 3 2HB SER 3 9.745 27.050 -3.871 13 HG SER 3 HG SER 3 8.161 25.064 -2.605 14 H GLY 4 H GLY 4 9.464 24.130 -1.360 15 HA2 GLY 4 1HA GLY 4 9.260 23.419 1.045 16 HA3 GLY 4 2HA GLY 4 8.352 24.908 1.264 17 H SER 5 H SER 5 7.228 22.540 2.004 18 HA SER 5 HA SER 5 5.022 22.336 0.093 19 HB2 SER 5 1HB SER 5 6.660 20.035 1.142 20 HB3 SER 5 2HB SER 5 5.000 19.809 0.592 21 HG SER 5 HG SER 5 6.119 21.178 -1.296 22 H SER 6 H SER 6 3.243 20.863 1.160 23 HA SER 6 HA SER 6 2.999 21.691 3.979 24 HB2 SER 6 1HB SER 6 0.779 22.284 3.672 25 HB3 SER 6 2HB SER 6 1.471 22.752 2.119 26 HG SER 6 HG SER 6 0.510 21.080 1.162 27 H GLY 7 H GLY 7 2.701 19.144 1.652 28 HA2 GLY 7 1HA GLY 7 2.491 16.872 1.935 29 HA3 GLY 7 2HA GLY 7 2.712 17.134 3.659 30 HA PRO 8 HA PRO 8 -1.969 16.885 2.302 31 HB2 PRO 8 1HB PRO 8 -2.329 14.537 0.986 32 HB3 PRO 8 2HB PRO 8 -2.013 16.065 0.156 33 HG2 PRO 8 1HG PRO 8 -0.119 13.846 0.824 34 HG3 PRO 8 2HG PRO 8 -0.260 14.783 -0.675 35 HD2 PRO 8 1HD PRO 8 1.639 15.292 1.187 36 HD3 PRO 8 2HD PRO 8 0.923 16.567 0.180 37 H GLY 9 H GLY 9 -3.440 15.832 3.609 38 HA2 GLY 9 1HA GLY 9 -2.434 14.376 5.809 39 HA3 GLY 9 2HA GLY 9 -4.132 14.598 5.417 40 HA PRO 10 HA PRO 10 -2.625 10.146 4.690 41 HB2 PRO 10 1HB PRO 10 -3.805 8.985 6.842 42 HB3 PRO 10 2HB PRO 10 -2.157 9.623 6.878 43 HG2 PRO 10 1HG PRO 10 -4.695 10.873 7.857 44 HG3 PRO 10 2HG PRO 10 -3.099 10.831 8.628 45 HD2 PRO 10 1HD PRO 10 -4.012 12.998 7.286 46 HD3 PRO 10 2HD PRO 10 -2.292 12.563 7.339 47 H VAL 11 H VAL 11 -3.879 9.014 3.348 48 HA VAL 11 HA VAL 11 -6.442 9.680 2.612 49 HB VAL 11 HB VAL 11 -6.612 7.528 1.511 50 HG11 VAL 11 1HG1 VAL 11 -4.655 7.632 0.134 51 HG12 VAL 11 2HG1 VAL 11 -5.080 9.278 0.609 52 HG13 VAL 11 3HG1 VAL 11 -3.743 8.447 1.405 53 HG21 VAL 11 3HG2 VAL 11 -4.537 6.760 3.501 54 HG22 VAL 11 1HG2 VAL 11 -5.948 5.866 2.936 55 HG23 VAL 11 2HG2 VAL 11 -4.512 5.983 1.918 56 H GLU 12 H GLU 12 -8.412 8.231 2.767 57 HA GLU 12 HA GLU 12 -8.740 7.315 5.549 58 HB2 GLU 12 1HB GLU 12 -10.912 8.437 3.778 59 HB3 GLU 12 2HB GLU 12 -11.023 8.064 5.492 60 HG2 GLU 12 1HG GLU 12 -8.999 10.046 4.591 61 HG3 GLU 12 2HG GLU 12 -10.695 10.524 4.650 62 H ASN 13 H ASN 13 -10.855 5.886 5.660 63 HA ASN 13 HA ASN 13 -11.451 3.683 5.339 64 HB2 ASN 13 1HB ASN 13 -11.946 4.842 2.587 65 HB3 ASN 13 2HB ASN 13 -12.692 3.384 3.236 66 HD21 ASN 13 1HD2 ASN 13 -13.806 5.982 2.315 67 HD22 ASN 13 2HD2 ASN 13 -14.786 6.536 3.625 68 H LEU 14 H LEU 14 -8.744 3.742 5.247 69 HA LEU 14 HA LEU 14 -7.865 2.401 2.817 70 HB2 LEU 14 1HB LEU 14 -6.288 3.945 3.567 71 HB3 LEU 14 2HB LEU 14 -6.489 3.470 5.252 72 HG LEU 14 HG LEU 14 -5.475 1.190 4.315 73 HD11 LEU 14 1HD1 LEU 14 -3.975 3.171 2.651 74 HD12 LEU 14 2HD1 LEU 14 -5.391 2.343 2.004 75 HD13 LEU 14 3HD1 LEU 14 -3.996 1.410 2.547 76 HD21 LEU 14 3HD2 LEU 14 -3.405 3.242 4.716 77 HD22 LEU 14 1HD2 LEU 14 -3.685 1.725 5.570 78 HD23 LEU 14 2HD2 LEU 14 -4.639 3.153 5.973 79 H GLN 15 H GLN 15 -7.935 0.273 2.605 80 HA GLN 15 HA GLN 15 -7.405 -1.442 4.898 81 HB2 GLN 15 1HB GLN 15 -9.988 -1.409 3.362 82 HB3 GLN 15 2HB GLN 15 -9.422 -2.879 4.145 83 HG2 GLN 15 1HG GLN 15 -9.589 -0.355 5.719 84 HG3 GLN 15 2HG GLN 15 -11.058 -1.266 5.372 85 HE21 GLN 15 1HE2 GLN 15 -7.981 -1.294 7.002 86 HE22 GLN 15 2HE2 GLN 15 -8.317 -2.634 8.040 87 H ALA 16 H ALA 16 -6.548 -3.431 4.364 88 HA ALA 16 HA ALA 16 -6.337 -4.126 1.527 89 HB1 ALA 16 3HB ALA 16 -4.126 -3.264 3.263 90 HB2 ALA 16 1HB ALA 16 -3.825 -4.730 2.330 91 HB3 ALA 16 2HB ALA 16 -4.271 -3.236 1.505 92 H VAL 17 H VAL 17 -6.641 -6.234 1.185 93 HA VAL 17 HA VAL 17 -5.888 -8.199 3.181 94 HB VAL 17 HB VAL 17 -8.132 -7.603 3.924 95 HG11 VAL 17 1HG1 VAL 17 -8.840 -6.849 1.590 96 HG12 VAL 17 2HG1 VAL 17 -9.210 -8.547 1.285 97 HG13 VAL 17 3HG1 VAL 17 -10.046 -7.678 2.572 98 HG21 VAL 17 3HG2 VAL 17 -7.562 -9.873 4.284 99 HG22 VAL 17 1HG2 VAL 17 -9.206 -9.874 3.646 100 HG23 VAL 17 2HG2 VAL 17 -7.853 -10.289 2.595 101 H SER 18 H SER 18 -5.621 -10.261 2.350 102 HA SER 18 HA SER 18 -5.454 -10.390 -0.550 103 HB2 SER 18 1HB SER 18 -3.544 -11.158 0.806 104 HB3 SER 18 2HB SER 18 -4.568 -12.387 1.548 105 HG SER 18 HG SER 18 -3.508 -12.264 -1.033 106 H THR 19 H THR 19 -6.500 -11.889 -1.836 107 HA THR 19 HA THR 19 -8.797 -13.235 -0.573 108 HB THR 19 HB THR 19 -10.068 -12.936 -2.538 109 HG1 THR 19 1HG THR 19 -8.176 -11.654 -4.079 110 HG21 THR 19 3HG2 THR 19 -8.430 -10.458 -2.013 111 HG22 THR 19 1HG2 THR 19 -9.982 -10.891 -1.297 112 HG23 THR 19 2HG2 THR 19 -9.885 -10.478 -3.008 113 H SER 20 H SER 20 -5.844 -13.777 -2.018 114 HA SER 20 HA SER 20 -6.528 -16.583 -2.486 115 HB2 SER 20 1HB SER 20 -4.611 -15.512 -4.445 116 HB3 SER 20 2HB SER 20 -5.958 -16.628 -4.676 117 HG SER 20 HG SER 20 -6.582 -14.819 -5.711 118 HA PRO 21 HA PRO 21 -2.696 -17.999 -0.861 119 HB2 PRO 21 1HB PRO 21 -1.494 -18.286 -3.577 120 HB3 PRO 21 2HB PRO 21 -1.586 -19.458 -2.257 121 HG2 PRO 21 1HG PRO 21 -3.207 -19.620 -4.384 122 HG3 PRO 21 2HG PRO 21 -3.761 -20.053 -2.756 123 HD2 PRO 21 1HD PRO 21 -4.395 -17.684 -4.404 124 HD3 PRO 21 2HD PRO 21 -5.362 -18.496 -3.157 125 H THR 22 H THR 22 -2.018 -15.991 -3.731 126 HA THR 22 HA THR 22 -0.218 -14.363 -2.075 127 HB THR 22 HB THR 22 1.434 -14.221 -3.834 128 HG1 THR 22 1HG THR 22 -0.486 -14.902 -5.424 129 HG21 THR 22 3HG2 THR 22 1.715 -16.061 -2.278 130 HG22 THR 22 1HG2 THR 22 2.225 -16.564 -3.889 131 HG23 THR 22 2HG2 THR 22 0.663 -17.084 -3.256 132 H SER 23 H SER 23 -1.706 -12.697 -1.957 133 HA SER 23 HA SER 23 -1.756 -10.905 -4.175 134 HB2 SER 23 1HB SER 23 -4.216 -10.831 -4.458 135 HB3 SER 23 2HB SER 23 -3.541 -12.390 -4.931 136 HG SER 23 HG SER 23 -4.849 -13.233 -3.535 137 H ILE 24 H ILE 24 -3.249 -8.976 -3.644 138 HA ILE 24 HA ILE 24 -3.877 -8.548 -0.879 139 HB ILE 24 HB ILE 24 -1.543 -7.041 -2.064 140 HG12 ILE 24 1HG1 ILE 24 -1.774 -9.042 0.186 141 HG13 ILE 24 2HG1 ILE 24 -0.804 -9.176 -1.277 142 HG21 ILE 24 1HG2 ILE 24 -2.945 -6.686 0.581 143 HG22 ILE 24 2HG2 ILE 24 -1.464 -5.866 0.090 144 HG23 ILE 24 3HG2 ILE 24 -2.970 -5.559 -0.775 145 HD11 ILE 24 3HD1 ILE 24 0.685 -8.684 0.476 146 HD12 ILE 24 1HD1 ILE 24 0.502 -7.191 -0.444 147 HD13 ILE 24 2HD1 ILE 24 -0.345 -7.392 1.090 148 H LEU 25 H LEU 25 -5.832 -7.703 -1.281 149 HA LEU 25 HA LEU 25 -6.194 -5.760 -3.414 150 HB2 LEU 25 1HB LEU 25 -7.813 -7.628 -2.933 151 HB3 LEU 25 2HB LEU 25 -8.246 -6.769 -1.457 152 HG LEU 25 HG LEU 25 -9.038 -4.875 -2.807 153 HD11 LEU 25 1HD1 LEU 25 -8.489 -4.635 -4.940 154 HD12 LEU 25 2HD1 LEU 25 -9.234 -6.182 -5.341 155 HD13 LEU 25 3HD1 LEU 25 -7.544 -6.121 -4.841 156 HD21 LEU 25 3HD2 LEU 25 -10.876 -6.314 -4.049 157 HD22 LEU 25 1HD2 LEU 25 -10.830 -6.187 -2.290 158 HD23 LEU 25 2HD2 LEU 25 -10.163 -7.611 -3.088 159 H ILE 26 H ILE 26 -5.340 -3.829 -2.837 160 HA ILE 26 HA ILE 26 -5.926 -2.732 -0.194 161 HB ILE 26 HB ILE 26 -4.288 -1.398 -2.337 162 HG12 ILE 26 1HG1 ILE 26 -2.994 -2.989 -0.168 163 HG13 ILE 26 2HG1 ILE 26 -3.630 -3.852 -1.564 164 HG21 ILE 26 1HG2 ILE 26 -4.747 0.124 -0.630 165 HG22 ILE 26 2HG2 ILE 26 -4.585 -1.098 0.630 166 HG23 ILE 26 3HG2 ILE 26 -3.154 -0.506 -0.214 167 HD11 ILE 26 3HD1 ILE 26 -2.171 -1.695 -2.589 168 HD12 ILE 26 1HD1 ILE 26 -1.194 -2.382 -1.292 169 HD13 ILE 26 2HD1 ILE 26 -1.743 -3.405 -2.620 170 H THR 27 H THR 27 -7.805 -1.712 0.008 171 HA THR 27 HA THR 27 -8.740 -0.031 -2.226 172 HB THR 27 HB THR 27 -11.014 -0.317 -1.392 173 HG1 THR 27 1HG THR 27 -9.746 -1.899 0.609 174 HG21 THR 27 3HG2 THR 27 -11.321 -2.311 -2.414 175 HG22 THR 27 1HG2 THR 27 -10.141 -3.135 -1.396 176 HG23 THR 27 2HG2 THR 27 -9.600 -2.166 -2.766 177 H TRP 28 H TRP 28 -8.030 1.975 -1.764 178 HA TRP 28 HA TRP 28 -8.544 3.023 0.941 179 HB2 TRP 28 1HB TRP 28 -6.785 4.669 0.504 180 HB3 TRP 28 2HB TRP 28 -6.170 3.032 0.299 181 HD1 TRP 28 HD TRP 28 -6.538 6.291 -1.503 182 HE1 TRP 28 1HE TRP 28 -5.632 6.069 -3.902 183 HE3 TRP 28 3HE TRP 28 -6.023 1.208 -1.711 184 HZ2 TRP 28 2HZ TRP 28 -4.810 4.013 -5.652 185 HZ3 TRP 28 3HZ TRP 28 -5.171 0.193 -3.784 186 HH2 TRP 28 HH TRP 28 -4.578 1.568 -5.713 187 H GLU 29 H GLU 29 -8.617 5.619 0.713 188 HA GLU 29 HA GLU 29 -10.336 6.378 -1.522 189 HB2 GLU 29 1HB GLU 29 -11.171 6.209 1.333 190 HB3 GLU 29 2HB GLU 29 -11.762 7.567 0.385 191 HG2 GLU 29 1HG GLU 29 -12.021 4.825 -0.733 192 HG3 GLU 29 2HG GLU 29 -13.116 5.330 0.553 193 HA PRO 30 HA PRO 30 -8.259 10.234 -1.297 194 HB2 PRO 30 1HB PRO 30 -10.212 11.976 -2.019 195 HB3 PRO 30 2HB PRO 30 -9.444 10.866 -3.161 196 HG2 PRO 30 1HG PRO 30 -12.067 10.609 -1.740 197 HG3 PRO 30 2HG PRO 30 -11.671 10.251 -3.431 198 HD2 PRO 30 1HD PRO 30 -11.875 8.321 -1.543 199 HD3 PRO 30 2HD PRO 30 -10.753 8.201 -2.914 200 HA PRO 31 HA PRO 31 -9.114 11.694 2.827 201 HB2 PRO 31 1HB PRO 31 -7.080 13.489 2.929 202 HB3 PRO 31 2HB PRO 31 -6.834 11.749 3.111 203 HG2 PRO 31 1HG PRO 31 -6.444 13.474 0.696 204 HG3 PRO 31 2HG PRO 31 -5.413 12.174 1.321 205 HD2 PRO 31 1HD PRO 31 -7.119 11.813 -0.751 206 HD3 PRO 31 2HD PRO 31 -6.726 10.519 0.400 207 H ALA 32 H ALA 32 -9.848 13.611 3.841 208 HA ALA 32 HA ALA 32 -10.950 15.567 1.956 209 HB1 ALA 32 3HB ALA 32 -12.190 16.220 4.207 210 HB2 ALA 32 1HB ALA 32 -12.737 14.887 3.190 211 HB3 ALA 32 2HB ALA 32 -11.766 14.560 4.626 212 H TYR 33 H TYR 33 -9.097 15.366 4.969 213 HA TYR 33 HA TYR 33 -8.660 18.230 5.015 214 HB2 TYR 33 1HB TYR 33 -7.062 17.433 6.961 215 HB3 TYR 33 2HB TYR 33 -8.807 17.477 7.185 216 HD1 TYR 33 2HD TYR 33 -5.995 15.206 6.323 217 HD2 TYR 33 1HD TYR 33 -9.983 15.535 7.769 218 HE1 TYR 33 2HE TYR 33 -5.974 12.817 6.909 219 HE2 TYR 33 1HE TYR 33 -9.973 13.147 8.359 220 HH TYR 33 HH TYR 33 -7.613 11.394 8.887 221 H ALA 34 H ALA 34 -7.714 17.199 2.660 222 HA ALA 34 HA ALA 34 -4.806 16.989 2.988 223 HB1 ALA 34 3HB ALA 34 -4.773 15.676 1.178 224 HB2 ALA 34 1HB ALA 34 -6.517 15.551 1.411 225 HB3 ALA 34 2HB ALA 34 -5.860 16.732 0.277 226 H ASN 35 H ASN 35 -3.384 18.354 1.881 227 HA ASN 35 HA ASN 35 -4.450 21.005 1.369 228 HB2 ASN 35 1HB ASN 35 -2.257 20.336 2.669 229 HB3 ASN 35 2HB ASN 35 -1.553 20.327 1.055 230 HD21 ASN 35 1HD2 ASN 35 -1.083 22.089 3.358 231 HD22 ASN 35 2HD2 ASN 35 -1.369 23.693 2.782 232 H GLY 36 H GLY 36 -5.412 21.108 -0.596 233 HA2 GLY 36 1HA GLY 36 -5.360 21.521 -2.883 234 HA3 GLY 36 2HA GLY 36 -3.688 20.984 -2.914 235 HA PRO 37 HA PRO 37 -6.294 17.762 -4.997 236 HB2 PRO 37 1HB PRO 37 -4.651 17.480 -7.140 237 HB3 PRO 37 2HB PRO 37 -5.932 18.696 -7.064 238 HG2 PRO 37 1HG PRO 37 -2.997 19.003 -6.558 239 HG3 PRO 37 2HG PRO 37 -4.095 20.067 -7.457 240 HD2 PRO 37 1HD PRO 37 -3.323 20.584 -4.913 241 HD3 PRO 37 2HD PRO 37 -4.918 21.046 -5.539 242 H VAL 38 H VAL 38 -5.361 15.626 -5.999 243 HA VAL 38 HA VAL 38 -3.021 14.746 -4.447 244 HB VAL 38 HB VAL 38 -5.626 13.241 -4.729 245 HG11 VAL 38 1HG1 VAL 38 -3.012 12.227 -4.483 246 HG12 VAL 38 2HG1 VAL 38 -3.778 12.043 -2.904 247 HG13 VAL 38 3HG1 VAL 38 -4.534 11.349 -4.339 248 HG21 VAL 38 3HG2 VAL 38 -6.019 14.683 -2.985 249 HG22 VAL 38 1HG2 VAL 38 -5.285 13.329 -2.125 250 HG23 VAL 38 2HG2 VAL 38 -4.320 14.753 -2.516 251 H GLN 39 H GLN 39 -1.698 14.761 -6.256 252 HA GLN 39 HA GLN 39 -2.108 14.000 -8.806 253 HB2 GLN 39 1HB GLN 39 0.267 13.375 -7.054 254 HB3 GLN 39 2HB GLN 39 0.259 13.092 -8.790 255 HG2 GLN 39 1HG GLN 39 -0.413 15.792 -7.708 256 HG3 GLN 39 2HG GLN 39 1.268 15.279 -7.848 257 HE21 GLN 39 1HE2 GLN 39 1.841 16.690 -9.438 258 HE22 GLN 39 2HE2 GLN 39 1.219 16.621 -11.048 259 H GLY 40 H GLY 40 -1.563 11.781 -6.094 260 HA2 GLY 40 1HA GLY 40 -3.199 9.752 -7.090 261 HA3 GLY 40 2HA GLY 40 -1.561 9.405 -7.623 262 H TYR 41 H TYR 41 -0.966 7.716 -6.399 263 HA TYR 41 HA TYR 41 -0.643 8.162 -3.552 264 HB2 TYR 41 1HB TYR 41 -2.060 5.653 -4.430 265 HB3 TYR 41 2HB TYR 41 -1.874 6.289 -2.799 266 HD1 TYR 41 1HD TYR 41 -3.662 6.701 -5.996 267 HD2 TYR 41 2HD TYR 41 -3.383 7.932 -1.933 268 HE1 TYR 41 1HE TYR 41 -5.848 7.811 -6.189 269 HE2 TYR 41 2HE TYR 41 -5.569 9.045 -2.114 270 HH TYR 41 HH TYR 41 -7.580 8.942 -3.478 271 H ARG 42 H ARG 42 1.002 6.959 -2.648 272 HA ARG 42 HA ARG 42 2.519 5.270 -4.529 273 HB2 ARG 42 1HB ARG 42 3.366 7.351 -2.580 274 HB3 ARG 42 2HB ARG 42 4.417 5.955 -2.778 275 HG2 ARG 42 1HG ARG 42 4.864 6.449 -5.005 276 HG3 ARG 42 2HG ARG 42 3.454 7.501 -5.152 277 HD2 ARG 42 1HD ARG 42 4.718 8.864 -3.277 278 HD3 ARG 42 2HD ARG 42 6.124 8.046 -3.958 279 HE ARG 42 HE ARG 42 4.768 9.097 -6.106 280 HH11 ARG 42 1HH1 ARG 42 6.230 10.335 -3.199 281 HH12 ARG 42 2HH1 ARG 42 6.627 11.870 -3.897 282 HH21 ARG 42 1HH2 ARG 42 5.284 11.114 -7.036 283 HH22 ARG 42 2HH2 ARG 42 6.087 12.313 -6.079 284 H LEU 43 H LEU 43 2.817 3.213 -3.977 285 HA LEU 43 HA LEU 43 2.154 2.403 -1.230 286 HB2 LEU 43 1HB LEU 43 0.745 1.364 -2.860 287 HB3 LEU 43 2HB LEU 43 2.137 0.881 -3.828 288 HG LEU 43 HG LEU 43 2.812 -0.642 -1.970 289 HD11 LEU 43 1HD1 LEU 43 1.244 -1.170 -0.226 290 HD12 LEU 43 2HD1 LEU 43 0.074 -0.021 -0.875 291 HD13 LEU 43 3HD1 LEU 43 1.589 0.560 -0.184 292 HD21 LEU 43 3HD2 LEU 43 0.068 -1.097 -3.138 293 HD22 LEU 43 1HD2 LEU 43 1.124 -2.338 -2.463 294 HD23 LEU 43 2HD2 LEU 43 1.604 -1.470 -3.921 295 H PHE 44 H PHE 44 3.528 1.126 -0.038 296 HA PHE 44 HA PHE 44 6.166 0.560 -1.213 297 HB2 PHE 44 1HB PHE 44 5.680 1.578 1.593 298 HB3 PHE 44 2HB PHE 44 7.244 1.214 0.872 299 HD1 PHE 44 2HD PHE 44 8.057 2.615 -1.038 300 HD2 PHE 44 1HD PHE 44 4.649 3.665 1.286 301 HE1 PHE 44 2HE PHE 44 8.222 4.932 -1.849 302 HE2 PHE 44 1HE PHE 44 4.808 5.983 0.477 303 HZ PHE 44 HZ PHE 44 6.597 6.620 -1.091 304 H CYS 45 H CYS 45 6.048 -1.606 -1.423 305 HA CYS 45 HA CYS 45 4.994 -3.208 0.782 306 HB2 CYS 45 1HB CYS 45 4.159 -3.810 -1.399 307 HB3 CYS 45 2HB CYS 45 5.792 -3.932 -2.042 308 HG CYS 45 HG CYS 45 6.085 -6.021 0.213 309 H THR 46 H THR 46 6.263 -4.224 2.186 310 HA THR 46 HA THR 46 9.066 -4.736 1.453 311 HB THR 46 HB THR 46 8.161 -3.693 4.144 312 HG1 THR 46 1HG THR 46 8.140 -2.061 2.536 313 HG21 THR 46 3HG2 THR 46 10.126 -5.227 4.166 314 HG22 THR 46 1HG2 THR 46 10.502 -3.589 4.698 315 HG23 THR 46 2HG2 THR 46 10.953 -4.115 3.076 316 H GLU 47 H GLU 47 9.792 -6.721 1.946 317 HA GLU 47 HA GLU 47 7.938 -8.598 3.141 318 HB2 GLU 47 1HB GLU 47 9.197 -9.227 1.129 319 HB3 GLU 47 2HB GLU 47 10.708 -9.020 2.004 320 HG2 GLU 47 1HG GLU 47 10.064 -10.830 3.524 321 HG3 GLU 47 2HG GLU 47 8.571 -11.050 2.614 322 H VAL 48 H VAL 48 7.911 -9.089 5.224 323 HA VAL 48 HA VAL 48 9.803 -8.054 7.066 324 HB VAL 48 HB VAL 48 7.711 -10.192 7.498 325 HG11 VAL 48 1HG1 VAL 48 9.445 -10.193 9.226 326 HG12 VAL 48 2HG1 VAL 48 9.178 -8.470 9.496 327 HG13 VAL 48 3HG1 VAL 48 7.900 -9.630 9.862 328 HG21 VAL 48 3HG2 VAL 48 7.588 -7.214 7.970 329 HG22 VAL 48 1HG2 VAL 48 6.759 -8.093 6.685 330 HG23 VAL 48 2HG2 VAL 48 6.326 -8.378 8.371 331 H SER 49 H SER 49 9.361 -11.188 5.539 332 HA SER 49 HA SER 49 11.032 -12.744 7.129 333 HB2 SER 49 1HB SER 49 9.701 -13.862 5.512 334 HB3 SER 49 2HB SER 49 10.353 -12.891 4.192 335 HG SER 49 HG SER 49 11.252 -15.213 5.147 336 H THR 50 H THR 50 11.850 -10.957 4.158 337 HA THR 50 HA THR 50 14.693 -11.328 4.738 338 HB THR 50 HB THR 50 15.023 -10.278 2.472 339 HG1 THR 50 1HG THR 50 13.321 -9.651 1.342 340 HG21 THR 50 3HG2 THR 50 13.964 -12.883 3.129 341 HG22 THR 50 1HG2 THR 50 15.196 -12.440 1.948 342 HG23 THR 50 2HG2 THR 50 13.491 -12.403 1.500 343 H GLY 51 H GLY 51 12.489 -8.669 3.826 344 HA2 GLY 51 1HA GLY 51 12.482 -6.664 5.232 345 HA3 GLY 51 2HA GLY 51 14.221 -6.862 5.396 346 H LYS 52 H LYS 52 12.879 -7.478 2.295 347 HA LYS 52 HA LYS 52 14.262 -5.153 1.233 348 HB2 LYS 52 1HB LYS 52 13.929 -6.156 -0.937 349 HB3 LYS 52 2HB LYS 52 14.512 -7.387 0.176 350 HG2 LYS 52 1HG LYS 52 12.272 -8.275 0.415 351 HG3 LYS 52 2HG LYS 52 11.634 -6.999 -0.624 352 HD2 LYS 52 1HD LYS 52 11.847 -8.912 -1.996 353 HD3 LYS 52 2HD LYS 52 13.201 -7.862 -2.417 354 HE2 LYS 52 1HE LYS 52 14.642 -9.185 -0.903 355 HE3 LYS 52 2HE LYS 52 13.284 -10.268 -0.598 356 HZ1 LYS 52 3HZ LYS 52 13.249 -10.842 -2.936 357 HZ2 LYS 52 1HZ LYS 52 14.783 -11.144 -2.288 358 HZ3 LYS 52 2HZ LYS 52 14.526 -9.778 -3.252 359 H GLU 53 H GLU 53 13.309 -3.331 0.579 360 HA GLU 53 HA GLU 53 10.378 -3.218 0.640 361 HB2 GLU 53 1HB GLU 53 11.470 -1.629 2.102 362 HB3 GLU 53 2HB GLU 53 12.462 -1.035 0.778 363 HG2 GLU 53 1HG GLU 53 10.529 -0.116 -0.323 364 HG3 GLU 53 2HG GLU 53 9.464 -0.812 0.898 365 H GLN 54 H GLN 54 9.192 -2.280 -1.040 366 HA GLN 54 HA GLN 54 10.597 -1.587 -3.500 367 HB2 GLN 54 1HB GLN 54 9.455 -3.144 -4.872 368 HB3 GLN 54 2HB GLN 54 10.073 -4.067 -3.509 369 HG2 GLN 54 1HG GLN 54 7.779 -3.760 -2.461 370 HG3 GLN 54 2HG GLN 54 7.252 -3.210 -4.051 371 HE21 GLN 54 1HE2 GLN 54 5.851 -5.188 -3.463 372 HE22 GLN 54 2HE2 GLN 54 6.402 -6.697 -4.099 373 H ASN 55 H ASN 55 9.753 0.215 -4.292 374 HA ASN 55 HA ASN 55 7.190 1.158 -3.320 375 HB2 ASN 55 1HB ASN 55 7.891 3.139 -4.922 376 HB3 ASN 55 2HB ASN 55 8.659 2.934 -3.350 377 HD21 ASN 55 1HD2 ASN 55 10.737 1.940 -3.269 378 HD22 ASN 55 2HD2 ASN 55 11.794 2.019 -4.634 379 H ILE 56 H ILE 56 5.392 1.601 -4.576 380 HA ILE 56 HA ILE 56 5.447 0.910 -7.408 381 HB ILE 56 HB ILE 56 3.549 -0.419 -5.470 382 HG12 ILE 56 1HG1 ILE 56 5.555 -1.759 -7.277 383 HG13 ILE 56 2HG1 ILE 56 5.965 -1.267 -5.638 384 HG21 ILE 56 1HG2 ILE 56 2.227 -0.219 -7.319 385 HG22 ILE 56 2HG2 ILE 56 3.596 -0.172 -8.429 386 HG23 ILE 56 3HG2 ILE 56 3.079 -1.707 -7.730 387 HD11 ILE 56 3HD1 ILE 56 3.819 -2.642 -5.031 388 HD12 ILE 56 1HD1 ILE 56 4.153 -3.425 -6.575 389 HD13 ILE 56 2HD1 ILE 56 5.369 -3.440 -5.297 390 H GLU 57 H GLU 57 4.145 2.181 -8.591 391 HA GLU 57 HA GLU 57 2.499 4.128 -7.167 392 HB2 GLU 57 1HB GLU 57 3.831 4.018 -9.817 393 HB3 GLU 57 2HB GLU 57 2.336 4.937 -9.720 394 HG2 GLU 57 1HG GLU 57 3.471 6.029 -7.645 395 HG3 GLU 57 2HG GLU 57 4.954 5.435 -8.390 396 H VAL 58 H VAL 58 0.408 3.756 -6.916 397 HA VAL 58 HA VAL 58 -1.013 2.226 -8.999 398 HB VAL 58 HB VAL 58 -2.520 1.367 -7.278 399 HG11 VAL 58 1HG1 VAL 58 -0.387 0.183 -7.906 400 HG12 VAL 58 2HG1 VAL 58 0.319 0.837 -6.427 401 HG13 VAL 58 3HG1 VAL 58 -1.064 -0.253 -6.338 402 HG21 VAL 58 3HG2 VAL 58 -1.194 1.797 -4.876 403 HG22 VAL 58 1HG2 VAL 58 -1.198 3.374 -5.665 404 HG23 VAL 58 2HG2 VAL 58 -2.718 2.525 -5.383 405 H ASP 59 H ASP 59 -3.248 2.769 -9.320 406 HA ASP 59 HA ASP 59 -4.258 5.214 -8.140 407 HB2 ASP 59 1HB ASP 59 -2.949 6.167 -9.921 408 HB3 ASP 59 2HB ASP 59 -3.603 5.016 -11.084 409 H GLY 60 H GLY 60 -6.432 5.201 -8.009 410 HA2 GLY 60 1HA GLY 60 -8.540 4.679 -9.255 411 HA3 GLY 60 2HA GLY 60 -7.842 3.088 -9.519 412 H LEU 61 H LEU 61 -7.368 4.688 -6.480 413 HA LEU 61 HA LEU 61 -7.835 3.911 -4.368 414 HB2 LEU 61 1HB LEU 61 -10.645 3.904 -5.445 415 HB3 LEU 61 2HB LEU 61 -10.135 4.164 -3.779 416 HG LEU 61 HG LEU 61 -9.517 6.052 -6.047 417 HD11 LEU 61 1HD1 LEU 61 -11.260 7.446 -4.683 418 HD12 LEU 61 2HD1 LEU 61 -11.850 5.855 -4.203 419 HD13 LEU 61 3HD1 LEU 61 -11.794 6.296 -5.909 420 HD21 LEU 61 3HD2 LEU 61 -9.101 6.107 -3.078 421 HD22 LEU 61 1HD2 LEU 61 -9.216 7.597 -4.016 422 HD23 LEU 61 2HD2 LEU 61 -7.943 6.429 -4.370 423 H SER 62 H SER 62 -7.257 1.798 -6.285 424 HA SER 62 HA SER 62 -7.952 -0.437 -4.725 425 HB2 SER 62 1HB SER 62 -9.489 -1.609 -6.191 426 HB3 SER 62 2HB SER 62 -10.179 -0.040 -5.777 427 HG SER 62 HG SER 62 -9.941 0.618 -7.790 428 H TYR 63 H TYR 63 -6.312 -1.788 -4.989 429 HA TYR 63 HA TYR 63 -5.251 -2.322 -7.644 430 HB2 TYR 63 1HB TYR 63 -3.928 -0.401 -6.817 431 HB3 TYR 63 2HB TYR 63 -3.470 -1.343 -5.402 432 HD1 TYR 63 2HD TYR 63 -1.955 -3.276 -5.638 433 HD2 TYR 63 1HD TYR 63 -2.880 -0.761 -8.943 434 HE1 TYR 63 2HE TYR 63 -0.025 -4.185 -6.863 435 HE2 TYR 63 1HE TYR 63 -0.954 -1.664 -10.178 436 HH TYR 63 HH TYR 63 1.002 -4.296 -8.859 437 H LYS 64 H LYS 64 -5.005 -4.438 -7.842 438 HA LYS 64 HA LYS 64 -4.856 -6.089 -5.434 439 HB2 LYS 64 1HB LYS 64 -6.509 -6.461 -7.390 440 HB3 LYS 64 2HB LYS 64 -5.124 -7.130 -8.243 441 HG2 LYS 64 1HG LYS 64 -4.833 -8.685 -6.266 442 HG3 LYS 64 2HG LYS 64 -6.426 -8.142 -5.734 443 HD2 LYS 64 1HD LYS 64 -7.217 -8.785 -8.087 444 HD3 LYS 64 2HD LYS 64 -5.689 -9.659 -8.221 445 HE2 LYS 64 1HE LYS 64 -7.692 -10.070 -6.006 446 HE3 LYS 64 2HE LYS 64 -7.616 -11.055 -7.466 447 HZ1 LYS 64 3HZ LYS 64 -5.056 -10.891 -6.296 448 HZ2 LYS 64 1HZ LYS 64 -6.013 -12.261 -6.564 449 HZ3 LYS 64 2HZ LYS 64 -6.169 -11.388 -5.123 450 H LEU 65 H LEU 65 -2.898 -6.600 -4.723 451 HA LEU 65 HA LEU 65 -0.582 -6.505 -6.416 452 HB2 LEU 65 1HB LEU 65 -0.908 -6.067 -3.816 453 HB3 LEU 65 2HB LEU 65 -0.479 -7.774 -3.734 454 HG LEU 65 HG LEU 65 1.532 -6.914 -5.270 455 HD11 LEU 65 1HD1 LEU 65 0.430 -4.511 -3.939 456 HD12 LEU 65 2HD1 LEU 65 1.310 -4.667 -5.459 457 HD13 LEU 65 3HD1 LEU 65 2.183 -4.709 -3.928 458 HD21 LEU 65 3HD2 LEU 65 1.183 -7.085 -2.317 459 HD22 LEU 65 1HD2 LEU 65 2.704 -6.466 -2.961 460 HD23 LEU 65 2HD2 LEU 65 2.154 -8.083 -3.401 461 H GLU 66 H GLU 66 0.776 -8.221 -6.992 462 HA GLU 66 HA GLU 66 -0.141 -10.941 -6.489 463 HB2 GLU 66 1HB GLU 66 0.391 -10.036 -9.315 464 HB3 GLU 66 2HB GLU 66 -0.278 -11.571 -8.780 465 HG2 GLU 66 1HG GLU 66 -2.260 -10.313 -7.925 466 HG3 GLU 66 2HG GLU 66 -1.603 -8.875 -8.703 467 H GLY 67 H GLY 67 1.451 -12.564 -7.026 468 HA2 GLY 67 1HA GLY 67 3.619 -13.297 -7.551 469 HA3 GLY 67 2HA GLY 67 4.125 -11.621 -7.705 470 H LEU 68 H LEU 68 2.370 -12.852 -4.935 471 HA LEU 68 HA LEU 68 4.698 -12.223 -3.267 472 HB2 LEU 68 1HB LEU 68 1.800 -12.611 -2.531 473 HB3 LEU 68 2HB LEU 68 3.090 -12.204 -1.400 474 HG LEU 68 HG LEU 68 2.673 -10.373 -3.696 475 HD11 LEU 68 1HD1 LEU 68 0.723 -10.731 -1.443 476 HD12 LEU 68 2HD1 LEU 68 0.404 -10.612 -3.173 477 HD13 LEU 68 3HD1 LEU 68 0.922 -9.187 -2.272 478 HD21 LEU 68 3HD2 LEU 68 4.317 -10.305 -1.603 479 HD22 LEU 68 1HD2 LEU 68 2.923 -9.508 -0.873 480 HD23 LEU 68 2HD2 LEU 68 3.654 -8.843 -2.334 481 H LYS 69 H LYS 69 4.362 -13.630 -1.044 482 HA LYS 69 HA LYS 69 4.842 -16.370 -1.929 483 HB2 LYS 69 1HB LYS 69 5.445 -14.856 0.598 484 HB3 LYS 69 2HB LYS 69 5.555 -16.610 0.543 485 HG2 LYS 69 1HG LYS 69 7.080 -16.207 -1.508 486 HG3 LYS 69 2HG LYS 69 7.217 -14.568 -0.868 487 HD2 LYS 69 1HD LYS 69 7.678 -16.938 0.905 488 HD3 LYS 69 2HD LYS 69 8.958 -16.354 -0.160 489 HE2 LYS 69 1HE LYS 69 8.563 -14.066 0.862 490 HE3 LYS 69 2HE LYS 69 7.577 -14.884 2.073 491 HZ1 LYS 69 3HZ LYS 69 9.760 -16.358 2.206 492 HZ2 LYS 69 1HZ LYS 69 9.554 -14.957 3.132 493 HZ3 LYS 69 2HZ LYS 69 10.467 -14.904 1.709 494 H LYS 70 H LYS 70 3.645 -18.109 -1.320 495 HA LYS 70 HA LYS 70 1.027 -18.160 -0.999 496 HB2 LYS 70 1HB LYS 70 2.752 -20.106 -0.866 497 HB3 LYS 70 2HB LYS 70 2.585 -19.914 0.874 498 HG2 LYS 70 1HG LYS 70 0.438 -20.692 0.896 499 HG3 LYS 70 2HG LYS 70 0.117 -20.178 -0.762 500 HD2 LYS 70 1HD LYS 70 2.043 -22.395 -0.113 501 HD3 LYS 70 2HD LYS 70 0.316 -22.685 -0.339 502 HE2 LYS 70 1HE LYS 70 1.034 -23.033 -2.474 503 HE3 LYS 70 2HE LYS 70 0.744 -21.295 -2.549 504 HZ1 LYS 70 3HZ LYS 70 2.884 -20.922 -2.931 505 HZ2 LYS 70 1HZ LYS 70 3.090 -22.590 -3.131 506 HZ3 LYS 70 2HZ LYS 70 3.373 -21.878 -1.623 507 H PHE 71 H PHE 71 2.919 -18.475 2.001 508 HA PHE 71 HA PHE 71 1.025 -16.640 3.303 509 HB2 PHE 71 1HB PHE 71 0.452 -19.003 3.837 510 HB3 PHE 71 2HB PHE 71 2.062 -19.208 4.520 511 HD1 PHE 71 1HD PHE 71 2.712 -17.588 6.430 512 HD2 PHE 71 2HD PHE 71 -1.292 -18.316 5.184 513 HE1 PHE 71 1HE PHE 71 1.893 -16.780 8.605 514 HE2 PHE 71 2HE PHE 71 -2.118 -17.509 7.357 515 HZ PHE 71 HZ PHE 71 -0.525 -16.738 9.070 516 H THR 72 H THR 72 2.312 -14.914 3.615 517 HA THR 72 HA THR 72 4.543 -15.212 5.451 518 HB THR 72 HB THR 72 4.900 -14.043 2.688 519 HG1 THR 72 1HG THR 72 5.297 -16.448 3.573 520 HG21 THR 72 3HG2 THR 72 6.165 -13.320 5.170 521 HG22 THR 72 1HG2 THR 72 6.389 -12.632 3.562 522 HG23 THR 72 2HG2 THR 72 7.342 -14.027 4.065 523 H GLU 73 H GLU 73 4.448 -13.641 6.913 524 HA GLU 73 HA GLU 73 2.528 -11.608 6.864 525 HB2 GLU 73 1HB GLU 73 3.428 -12.381 8.959 526 HB3 GLU 73 2HB GLU 73 5.052 -11.890 8.498 527 HG2 GLU 73 1HG GLU 73 4.561 -9.618 8.739 528 HG3 GLU 73 2HG GLU 73 2.822 -9.904 8.729 529 H TYR 74 H TYR 74 2.512 -10.121 5.287 530 HA TYR 74 HA TYR 74 5.027 -8.803 4.550 531 HB2 TYR 74 1HB TYR 74 2.390 -9.165 3.177 532 HB3 TYR 74 2HB TYR 74 3.424 -7.817 2.720 533 HD1 TYR 74 2HD TYR 74 5.901 -8.438 2.146 534 HD2 TYR 74 1HD TYR 74 2.681 -11.219 2.143 535 HE1 TYR 74 2HE TYR 74 7.194 -9.925 0.674 536 HE2 TYR 74 1HE TYR 74 3.965 -12.714 0.672 537 HH TYR 74 HH TYR 74 5.991 -13.122 -0.224 538 H SER 75 H SER 75 5.216 -6.547 4.521 539 HA SER 75 HA SER 75 3.183 -5.111 6.099 540 HB2 SER 75 1HB SER 75 5.212 -5.452 7.427 541 HB3 SER 75 2HB SER 75 6.186 -4.722 6.152 542 HG SER 75 HG SER 75 5.781 -3.133 7.633 543 H LEU 76 H LEU 76 2.158 -3.693 4.864 544 HA LEU 76 HA LEU 76 3.636 -2.382 2.683 545 HB2 LEU 76 1HB LEU 76 0.656 -2.367 2.911 546 HB3 LEU 76 2HB LEU 76 1.665 -2.207 1.475 547 HG LEU 76 HG LEU 76 1.418 -4.785 3.010 548 HD11 LEU 76 1HD1 LEU 76 -0.770 -3.786 2.038 549 HD12 LEU 76 2HD1 LEU 76 -0.360 -5.469 1.705 550 HD13 LEU 76 3HD1 LEU 76 -0.074 -4.233 0.480 551 HD21 LEU 76 3HD2 LEU 76 1.986 -4.672 0.115 552 HD22 LEU 76 1HD2 LEU 76 2.647 -5.726 1.365 553 HD23 LEU 76 2HD2 LEU 76 3.257 -4.080 1.186 554 H ARG 77 H ARG 77 3.030 -0.128 2.212 555 HA ARG 77 HA ARG 77 1.950 1.367 4.476 556 HB2 ARG 77 1HB ARG 77 4.407 1.242 4.810 557 HB3 ARG 77 2HB ARG 77 4.634 2.004 3.241 558 HG2 ARG 77 1HG ARG 77 3.082 3.854 4.299 559 HG3 ARG 77 2HG ARG 77 3.703 3.174 5.805 560 HD2 ARG 77 1HD ARG 77 5.401 4.157 3.514 561 HD3 ARG 77 2HD ARG 77 5.045 5.076 4.977 562 HE ARG 77 HE ARG 77 6.307 2.470 5.308 563 HH11 ARG 77 1HH1 ARG 77 6.619 5.937 5.245 564 HH12 ARG 77 2HH1 ARG 77 8.131 5.946 6.089 565 HH21 ARG 77 1HH2 ARG 77 8.298 2.470 6.421 566 HH22 ARG 77 2HH2 ARG 77 9.086 3.974 6.757 567 H PHE 78 H PHE 78 0.404 2.602 3.659 568 HA PHE 78 HA PHE 78 0.719 3.645 0.926 569 HB2 PHE 78 1HB PHE 78 -1.316 2.163 1.778 570 HB3 PHE 78 2HB PHE 78 -1.908 3.724 2.336 571 HD1 PHE 78 1HD PHE 78 -0.620 1.995 -0.690 572 HD2 PHE 78 2HD PHE 78 -3.035 5.129 0.879 573 HE1 PHE 78 1HE PHE 78 -1.454 2.481 -2.954 574 HE2 PHE 78 2HE PHE 78 -3.873 5.620 -1.382 575 HZ PHE 78 HZ PHE 78 -3.084 4.294 -3.301 576 H LEU 79 H LEU 79 0.339 5.813 0.481 577 HA LEU 79 HA LEU 79 -0.415 7.655 2.557 578 HB2 LEU 79 1HB LEU 79 1.615 8.899 2.667 579 HB3 LEU 79 2HB LEU 79 1.980 7.214 3.034 580 HG LEU 79 HG LEU 79 2.687 7.050 0.562 581 HD11 LEU 79 1HD1 LEU 79 2.188 9.939 0.875 582 HD12 LEU 79 2HD1 LEU 79 2.130 8.923 -0.564 583 HD13 LEU 79 3HD1 LEU 79 3.682 9.489 0.053 584 HD21 LEU 79 3HD2 LEU 79 4.264 6.900 2.381 585 HD22 LEU 79 1HD2 LEU 79 4.266 8.654 2.569 586 HD23 LEU 79 2HD2 LEU 79 4.935 7.923 1.109 587 H ALA 80 H ALA 80 -0.733 9.809 1.776 588 HA ALA 80 HA ALA 80 -1.316 9.862 -1.079 589 HB1 ALA 80 3HB ALA 80 -3.160 10.665 0.015 590 HB2 ALA 80 1HB ALA 80 -2.209 11.438 1.283 591 HB3 ALA 80 2HB ALA 80 -2.310 12.174 -0.317 592 H TYR 81 H TYR 81 -0.570 11.464 -2.489 593 HA TYR 81 HA TYR 81 1.437 13.345 -1.557 594 HB2 TYR 81 1HB TYR 81 3.222 12.562 -2.881 595 HB3 TYR 81 2HB TYR 81 2.573 11.117 -2.114 596 HD1 TYR 81 1HD TYR 81 2.484 13.072 -5.275 597 HD2 TYR 81 2HD TYR 81 1.874 9.296 -3.411 598 HE1 TYR 81 1HE TYR 81 2.205 12.032 -7.487 599 HE2 TYR 81 2HE TYR 81 1.595 8.246 -5.617 600 HH TYR 81 HH TYR 81 1.607 10.173 -8.585 601 H ASN 82 H ASN 82 1.335 15.203 -2.657 602 HA ASN 82 HA ASN 82 -0.011 15.194 -5.277 603 HB2 ASN 82 1HB ASN 82 -1.210 17.171 -4.737 604 HB3 ASN 82 2HB ASN 82 -1.409 16.100 -3.354 605 HD21 ASN 82 1HD2 ASN 82 0.384 16.399 -1.663 606 HD22 ASN 82 2HD2 ASN 82 0.743 18.037 -1.245 607 H ARG 83 H ARG 83 0.309 17.668 -6.148 608 HA ARG 83 HA ARG 83 2.684 17.917 -7.312 609 HB2 ARG 83 1HB ARG 83 2.407 20.369 -7.338 610 HB3 ARG 83 2HB ARG 83 0.905 19.526 -7.691 611 HG2 ARG 83 1HG ARG 83 0.077 19.951 -5.482 612 HG3 ARG 83 2HG ARG 83 1.628 20.634 -4.989 613 HD2 ARG 83 1HD ARG 83 0.057 21.785 -7.272 614 HD3 ARG 83 2HD ARG 83 -0.267 22.252 -5.603 615 HE ARG 83 HE ARG 83 1.768 23.370 -5.537 616 HH11 ARG 83 1HH1 ARG 83 1.390 21.642 -8.536 617 HH12 ARG 83 2HH1 ARG 83 2.709 22.449 -9.318 618 HH21 ARG 83 1HH2 ARG 83 3.506 24.439 -6.556 619 HH22 ARG 83 2HH2 ARG 83 3.912 24.039 -8.190 620 H TYR 84 H TYR 84 2.032 18.942 -3.990 621 HA TYR 84 HA TYR 84 4.576 20.057 -3.485 622 HB2 TYR 84 1HB TYR 84 2.591 18.855 -1.544 623 HB3 TYR 84 2HB TYR 84 3.960 19.870 -1.103 624 HD1 TYR 84 1HD TYR 84 3.988 22.157 -2.623 625 HD2 TYR 84 2HD TYR 84 0.553 19.915 -1.492 626 HE1 TYR 84 1HE TYR 84 2.594 24.165 -2.898 627 HE2 TYR 84 2HE TYR 84 -0.851 21.916 -1.765 628 HH TYR 84 HH TYR 84 -0.575 24.375 -1.741 629 H GLY 85 H GLY 85 3.245 16.972 -2.266 630 HA2 GLY 85 1HA GLY 85 5.200 15.238 -3.038 631 HA3 GLY 85 2HA GLY 85 5.875 16.004 -1.608 632 HA PRO 86 HA PRO 86 3.267 12.311 -0.393 633 HB2 PRO 86 1HB PRO 86 5.231 11.024 0.970 634 HB3 PRO 86 2HB PRO 86 4.959 10.800 -0.762 635 HG2 PRO 86 1HG PRO 86 6.974 12.519 0.633 636 HG3 PRO 86 2HG PRO 86 7.184 11.474 -0.784 637 HD2 PRO 86 1HD PRO 86 6.878 14.157 -0.985 638 HD3 PRO 86 2HD PRO 86 6.283 13.033 -2.224 639 H GLY 87 H GLY 87 1.996 13.167 1.161 640 HA2 GLY 87 1HA GLY 87 3.023 14.654 3.378 641 HA3 GLY 87 2HA GLY 87 1.357 14.143 3.149 642 H VAL 88 H VAL 88 0.882 13.303 5.107 643 HA VAL 88 HA VAL 88 2.721 11.620 6.539 644 HB VAL 88 HB VAL 88 -0.202 12.183 7.063 645 HG11 VAL 88 1HG1 VAL 88 0.504 11.460 9.418 646 HG12 VAL 88 2HG1 VAL 88 0.264 10.198 8.208 647 HG13 VAL 88 3HG1 VAL 88 1.896 10.717 8.630 648 HG21 VAL 88 3HG2 VAL 88 1.425 13.383 9.003 649 HG22 VAL 88 1HG2 VAL 88 2.174 13.755 7.450 650 HG23 VAL 88 2HG2 VAL 88 0.488 14.186 7.742 651 H SER 89 H SER 89 2.856 9.460 6.539 652 HA SER 89 HA SER 89 1.158 7.983 4.692 653 HB2 SER 89 1HB SER 89 2.771 6.109 5.166 654 HB3 SER 89 2HB SER 89 3.515 7.555 4.484 655 HG SER 89 HG SER 89 4.433 8.007 6.389 656 H THR 90 H THR 90 0.565 5.689 5.423 657 HA THR 90 HA THR 90 -0.863 5.937 7.962 658 HB THR 90 HB THR 90 -2.178 4.007 7.224 659 HG1 THR 90 1HG THR 90 -1.372 2.742 5.742 660 HG21 THR 90 3HG2 THR 90 -2.142 6.559 6.023 661 HG22 THR 90 1HG2 THR 90 -3.499 5.441 6.148 662 HG23 THR 90 2HG2 THR 90 -2.447 5.396 4.733 663 H ASP 91 H ASP 91 -1.031 3.988 9.345 664 HA ASP 91 HA ASP 91 1.495 3.106 10.177 665 HB2 ASP 91 1HB ASP 91 -1.320 2.419 10.853 666 HB3 ASP 91 2HB ASP 91 -0.070 1.278 11.344 667 H ASP 92 H ASP 92 2.570 1.152 9.979 668 HA ASP 92 HA ASP 92 2.634 -0.105 7.546 669 HB2 ASP 92 1HB ASP 92 3.353 -1.247 10.253 670 HB3 ASP 92 2HB ASP 92 3.796 -1.985 8.717 671 H ILE 93 H ILE 93 1.113 -1.187 6.497 672 HA ILE 93 HA ILE 93 -1.048 -2.483 7.921 673 HB ILE 93 HB ILE 93 -0.515 -2.323 4.952 674 HG12 ILE 93 1HG1 ILE 93 -2.462 -0.734 6.633 675 HG13 ILE 93 2HG1 ILE 93 -0.893 -0.132 6.111 676 HG21 ILE 93 1HG2 ILE 93 -2.620 -3.608 6.573 677 HG22 ILE 93 2HG2 ILE 93 -3.161 -2.711 5.156 678 HG23 ILE 93 3HG2 ILE 93 -2.001 -4.026 4.976 679 HD11 ILE 93 3HD1 ILE 93 -2.275 0.760 4.524 680 HD12 ILE 93 1HD1 ILE 93 -1.779 -0.738 3.735 681 HD13 ILE 93 2HD1 ILE 93 -3.355 -0.634 4.522 682 H THR 94 H THR 94 -0.437 -4.349 8.871 683 HA THR 94 HA THR 94 1.266 -6.239 7.468 684 HB THR 94 HB THR 94 -0.055 -6.632 10.154 685 HG1 THR 94 1HG THR 94 2.234 -5.169 9.408 686 HG21 THR 94 3HG2 THR 94 0.809 -8.686 9.444 687 HG22 THR 94 1HG2 THR 94 2.098 -8.018 10.444 688 HG23 THR 94 2HG2 THR 94 2.215 -7.939 8.686 689 H VAL 95 H VAL 95 0.327 -7.457 5.958 690 HA VAL 95 HA VAL 95 -2.226 -8.767 6.630 691 HB VAL 95 HB VAL 95 -1.402 -7.743 3.909 692 HG11 VAL 95 1HG1 VAL 95 -2.633 -9.573 3.324 693 HG12 VAL 95 2HG1 VAL 95 -3.563 -9.566 4.823 694 HG13 VAL 95 3HG1 VAL 95 -3.938 -8.408 3.546 695 HG21 VAL 95 3HG2 VAL 95 -3.817 -6.877 5.457 696 HG22 VAL 95 1HG2 VAL 95 -2.248 -6.116 5.724 697 HG23 VAL 95 2HG2 VAL 95 -2.995 -6.061 4.127 698 H VAL 96 H VAL 96 -1.673 -10.817 7.035 699 HA VAL 96 HA VAL 96 0.506 -12.123 5.687 700 HB VAL 96 HB VAL 96 -1.577 -13.330 7.512 701 HG11 VAL 96 1HG1 VAL 96 -0.626 -15.201 6.667 702 HG12 VAL 96 2HG1 VAL 96 0.848 -14.362 6.177 703 HG13 VAL 96 3HG1 VAL 96 0.616 -14.830 7.862 704 HG21 VAL 96 3HG2 VAL 96 0.734 -11.625 8.041 705 HG22 VAL 96 1HG2 VAL 96 -0.629 -12.044 9.079 706 HG23 VAL 96 2HG2 VAL 96 0.749 -13.136 8.950 707 H THR 97 H THR 97 0.335 -12.897 3.697 708 HA THR 97 HA THR 97 -1.953 -13.176 2.191 709 HB THR 97 HB THR 97 -0.584 -14.883 0.837 710 HG1 THR 97 1HG THR 97 1.380 -15.367 1.541 711 HG21 THR 97 3HG2 THR 97 1.111 -13.027 0.218 712 HG22 THR 97 1HG2 THR 97 0.229 -12.050 1.391 713 HG23 THR 97 2HG2 THR 97 -0.609 -12.713 -0.013 714 H LEU 98 H LEU 98 -3.120 -15.039 1.445 715 HA LEU 98 HA LEU 98 -4.030 -16.709 3.509 716 HB2 LEU 98 1HB LEU 98 -4.300 -17.248 0.561 717 HB3 LEU 98 2HB LEU 98 -5.361 -17.799 1.856 718 HG LEU 98 HG LEU 98 -5.083 -14.999 0.778 719 HD11 LEU 98 1HD1 LEU 98 -7.461 -16.844 0.921 720 HD12 LEU 98 2HD1 LEU 98 -6.465 -16.596 -0.512 721 HD13 LEU 98 3HD1 LEU 98 -7.392 -15.255 0.159 722 HD21 LEU 98 3HD2 LEU 98 -5.721 -14.221 2.755 723 HD22 LEU 98 1HD2 LEU 98 -5.803 -15.855 3.415 724 HD23 LEU 98 2HD2 LEU 98 -7.209 -15.158 2.610 725 H SER 99 H SER 99 -4.227 -19.243 2.727 726 HA SER 99 HA SER 99 -1.531 -20.216 2.123 727 HB2 SER 99 1HB SER 99 -1.451 -20.290 4.481 728 HB3 SER 99 2HB SER 99 -3.126 -20.827 4.606 729 HG SER 99 HG SER 99 -0.881 -22.305 3.716 730 H ASP 100 H ASP 100 -1.924 -21.288 0.287 731 HA ASP 100 HA ASP 100 -4.292 -22.472 -0.521 732 HB2 ASP 100 1HB ASP 100 -2.665 -22.152 -2.188 733 HB3 ASP 100 2HB ASP 100 -1.423 -22.989 -1.261 734 H SER 101 H SER 101 -1.442 -24.152 0.819 735 HA SER 101 HA SER 101 -3.176 -26.428 1.475 736 HB2 SER 101 1HB SER 101 -1.139 -26.875 0.118 737 HB3 SER 101 2HB SER 101 -0.151 -26.292 1.457 738 HG SER 101 HG SER 101 -0.233 -28.309 2.055 739 H GLY 102 H GLY 102 -3.817 -26.717 3.501 740 HA2 GLY 102 1HA GLY 102 -2.765 -26.984 5.824 741 HA3 GLY 102 2HA GLY 102 -2.377 -25.281 5.634 742 HA PRO 103 HA PRO 103 -7.146 -26.018 6.388 743 HB2 PRO 103 1HB PRO 103 -7.519 -27.863 8.344 744 HB3 PRO 103 2HB PRO 103 -7.521 -28.272 6.625 745 HG2 PRO 103 1HG PRO 103 -5.324 -28.560 8.637 746 HG3 PRO 103 2HG PRO 103 -5.843 -29.695 7.378 747 HD2 PRO 103 1HD PRO 103 -3.681 -28.091 7.091 748 HD3 PRO 103 2HD PRO 103 -4.699 -28.574 5.720 749 H SER 104 H SER 104 -4.451 -25.335 8.145 750 HA SER 104 HA SER 104 -5.962 -24.337 10.465 751 HB2 SER 104 1HB SER 104 -3.901 -25.896 10.721 752 HB3 SER 104 2HB SER 104 -2.959 -24.458 10.328 753 HG SER 104 HG SER 104 -4.425 -23.514 12.099 754 H SER 105 H SER 105 -6.478 -22.264 10.401 755 HA SER 105 HA SER 105 -4.833 -20.432 8.800 756 HB2 SER 105 1HB SER 105 -6.830 -18.908 8.968 757 HB3 SER 105 2HB SER 105 -7.140 -20.423 8.119 758 HG SER 105 HG SER 105 -8.434 -21.048 9.680 759 H GLY 106 H GLY 106 -6.719 -20.353 11.834 760 HA2 GLY 106 1HA GLY 106 -4.643 -18.555 12.929 761 HA3 GLY 106 2HA GLY 106 -6.349 -18.414 13.327 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.679 31.144 6.223 2 HA2 GLY 1 1HA GLY 1 10.385 32.170 4.187 3 HA3 GLY 1 2HA GLY 1 10.757 30.625 3.437 4 H SER 2 H SER 2 8.826 32.470 2.489 5 HA SER 2 HA SER 2 6.221 31.477 3.256 6 HB2 SER 2 1HB SER 2 7.223 33.579 1.368 7 HB3 SER 2 2HB SER 2 5.568 32.989 1.211 8 HG SER 2 HG SER 2 5.800 34.836 2.609 9 H SER 3 H SER 3 7.680 29.358 2.407 10 HA SER 3 HA SER 3 7.112 28.843 -0.390 11 HB2 SER 3 1HB SER 3 9.219 28.022 0.481 12 HB3 SER 3 2HB SER 3 8.388 27.131 1.756 13 HG SER 3 HG SER 3 7.966 26.660 -1.007 14 H GLY 4 H GLY 4 4.870 28.796 -0.517 15 HA2 GLY 4 1HA GLY 4 3.199 27.331 1.232 16 HA3 GLY 4 2HA GLY 4 2.760 27.900 -0.372 17 H SER 5 H SER 5 3.775 25.218 1.530 18 HA SER 5 HA SER 5 3.009 23.376 -0.527 19 HB2 SER 5 1HB SER 5 5.189 22.196 -0.650 20 HB3 SER 5 2HB SER 5 5.276 23.832 -1.302 21 HG SER 5 HG SER 5 5.847 23.560 1.396 22 H SER 6 H SER 6 1.714 22.191 0.728 23 HA SER 6 HA SER 6 2.831 21.114 3.234 24 HB2 SER 6 1HB SER 6 1.056 22.655 3.786 25 HB3 SER 6 2HB SER 6 -0.024 21.902 2.613 26 HG SER 6 HG SER 6 0.816 20.976 5.121 27 H GLY 7 H GLY 7 2.071 18.987 3.856 28 HA2 GLY 7 1HA GLY 7 1.759 17.274 1.515 29 HA3 GLY 7 2HA GLY 7 2.163 16.750 3.143 30 HA PRO 8 HA PRO 8 -2.552 16.583 2.083 31 HB2 PRO 8 1HB PRO 8 -2.764 14.245 0.719 32 HB3 PRO 8 2HB PRO 8 -2.554 15.808 -0.080 33 HG2 PRO 8 1HG PRO 8 -0.513 13.706 0.533 34 HG3 PRO 8 2HG PRO 8 -0.725 14.662 -0.945 35 HD2 PRO 8 1HD PRO 8 1.147 15.256 0.919 36 HD3 PRO 8 2HD PRO 8 0.343 16.502 -0.058 37 H GLY 9 H GLY 9 -3.730 15.706 3.679 38 HA2 GLY 9 1HA GLY 9 -2.664 14.158 5.712 39 HA3 GLY 9 2HA GLY 9 -4.383 14.316 5.386 40 HA PRO 10 HA PRO 10 -2.752 9.931 4.568 41 HB2 PRO 10 1HB PRO 10 -3.886 8.708 6.710 42 HB3 PRO 10 2HB PRO 10 -2.259 9.398 6.748 43 HG2 PRO 10 1HG PRO 10 -4.831 10.556 7.751 44 HG3 PRO 10 2HG PRO 10 -3.231 10.555 8.516 45 HD2 PRO 10 1HD PRO 10 -4.217 12.708 7.203 46 HD3 PRO 10 2HD PRO 10 -2.484 12.327 7.245 47 H VAL 11 H VAL 11 -3.985 8.950 3.104 48 HA VAL 11 HA VAL 11 -6.542 9.486 2.398 49 HB VAL 11 HB VAL 11 -6.690 7.247 1.388 50 HG11 VAL 11 1HG1 VAL 11 -4.062 8.693 1.137 51 HG12 VAL 11 2HG1 VAL 11 -4.550 7.379 0.064 52 HG13 VAL 11 3HG1 VAL 11 -5.498 8.865 0.128 53 HG21 VAL 11 3HG2 VAL 11 -5.809 5.669 2.777 54 HG22 VAL 11 1HG2 VAL 11 -4.418 5.916 1.723 55 HG23 VAL 11 2HG2 VAL 11 -4.482 6.706 3.298 56 H GLU 12 H GLU 12 -8.530 8.132 2.582 57 HA GLU 12 HA GLU 12 -8.855 7.154 5.343 58 HB2 GLU 12 1HB GLU 12 -11.377 7.769 4.700 59 HB3 GLU 12 2HB GLU 12 -10.271 8.933 5.416 60 HG2 GLU 12 1HG GLU 12 -10.049 10.124 3.492 61 HG3 GLU 12 2HG GLU 12 -10.328 8.722 2.460 62 H ASN 13 H ASN 13 -10.851 5.682 5.528 63 HA ASN 13 HA ASN 13 -11.607 3.562 5.129 64 HB2 ASN 13 1HB ASN 13 -12.040 4.990 2.514 65 HB3 ASN 13 2HB ASN 13 -12.553 3.320 2.738 66 HD21 ASN 13 1HD2 ASN 13 -13.507 6.460 2.925 67 HD22 ASN 13 2HD2 ASN 13 -14.859 6.287 3.987 68 H LEU 14 H LEU 14 -8.827 3.694 5.033 69 HA LEU 14 HA LEU 14 -7.965 2.198 2.694 70 HB2 LEU 14 1HB LEU 14 -6.429 3.840 3.402 71 HB3 LEU 14 2HB LEU 14 -6.545 3.331 5.085 72 HG LEU 14 HG LEU 14 -5.529 1.091 4.061 73 HD11 LEU 14 1HD1 LEU 14 -4.163 3.146 2.365 74 HD12 LEU 14 2HD1 LEU 14 -5.568 2.262 1.770 75 HD13 LEU 14 3HD1 LEU 14 -4.112 1.387 2.244 76 HD21 LEU 14 3HD2 LEU 14 -3.707 1.638 5.260 77 HD22 LEU 14 1HD2 LEU 14 -4.658 3.054 5.710 78 HD23 LEU 14 2HD2 LEU 14 -3.475 3.165 4.407 79 H GLN 15 H GLN 15 -7.730 0.055 2.610 80 HA GLN 15 HA GLN 15 -7.220 -1.526 4.955 81 HB2 GLN 15 1HB GLN 15 -9.916 -1.540 3.635 82 HB3 GLN 15 2HB GLN 15 -9.299 -2.987 4.423 83 HG2 GLN 15 1HG GLN 15 -8.899 -1.352 6.427 84 HG3 GLN 15 2HG GLN 15 -10.126 -0.387 5.608 85 HE21 GLN 15 1HE2 GLN 15 -9.460 -3.554 6.986 86 HE22 GLN 15 2HE2 GLN 15 -11.101 -3.939 7.364 87 H ALA 16 H ALA 16 -6.283 -3.455 4.460 88 HA ALA 16 HA ALA 16 -6.195 -4.207 1.611 89 HB1 ALA 16 3HB ALA 16 -4.024 -3.701 1.662 90 HB2 ALA 16 1HB ALA 16 -4.019 -3.551 3.420 91 HB3 ALA 16 2HB ALA 16 -3.821 -5.135 2.669 92 H VAL 17 H VAL 17 -6.369 -6.351 1.124 93 HA VAL 17 HA VAL 17 -6.127 -8.394 3.137 94 HB VAL 17 HB VAL 17 -8.510 -9.233 2.642 95 HG11 VAL 17 1HG1 VAL 17 -8.388 -6.733 4.304 96 HG12 VAL 17 2HG1 VAL 17 -9.337 -8.195 4.580 97 HG13 VAL 17 3HG1 VAL 17 -7.586 -8.225 4.794 98 HG21 VAL 17 3HG2 VAL 17 -9.026 -6.314 2.128 99 HG22 VAL 17 1HG2 VAL 17 -8.835 -7.492 0.829 100 HG23 VAL 17 2HG2 VAL 17 -10.151 -7.665 1.989 101 H SER 18 H SER 18 -5.616 -10.312 2.242 102 HA SER 18 HA SER 18 -5.353 -10.425 -0.639 103 HB2 SER 18 1HB SER 18 -3.526 -11.213 0.839 104 HB3 SER 18 2HB SER 18 -4.589 -12.479 1.452 105 HG SER 18 HG SER 18 -3.365 -12.229 -1.051 106 H THR 19 H THR 19 -6.421 -11.777 -2.016 107 HA THR 19 HA THR 19 -8.737 -13.202 -0.886 108 HB THR 19 HB THR 19 -9.917 -12.855 -2.913 109 HG1 THR 19 1HG THR 19 -8.957 -12.353 -4.791 110 HG21 THR 19 3HG2 THR 19 -9.639 -10.334 -3.280 111 HG22 THR 19 1HG2 THR 19 -8.394 -10.416 -2.035 112 HG23 THR 19 2HG2 THR 19 -10.054 -10.876 -1.655 113 H SER 20 H SER 20 -5.722 -13.759 -2.078 114 HA SER 20 HA SER 20 -6.401 -16.520 -2.739 115 HB2 SER 20 1HB SER 20 -5.714 -16.481 -4.892 116 HB3 SER 20 2HB SER 20 -5.965 -14.739 -4.781 117 HG SER 20 HG SER 20 -3.728 -14.615 -4.104 118 HA PRO 21 HA PRO 21 -2.712 -18.030 -0.890 119 HB2 PRO 21 1HB PRO 21 -1.366 -18.319 -3.537 120 HB3 PRO 21 2HB PRO 21 -1.560 -19.502 -2.237 121 HG2 PRO 21 1HG PRO 21 -3.062 -19.604 -4.455 122 HG3 PRO 21 2HG PRO 21 -3.717 -20.038 -2.865 123 HD2 PRO 21 1HD PRO 21 -4.200 -17.639 -4.520 124 HD3 PRO 21 2HD PRO 21 -5.255 -18.440 -3.338 125 H THR 22 H THR 22 -1.889 -15.955 -3.667 126 HA THR 22 HA THR 22 -0.114 -14.418 -1.904 127 HB THR 22 HB THR 22 1.657 -14.328 -3.488 128 HG1 THR 22 1HG THR 22 0.731 -16.031 -5.392 129 HG21 THR 22 3HG2 THR 22 1.831 -16.315 -2.211 130 HG22 THR 22 1HG2 THR 22 2.157 -16.786 -3.878 131 HG23 THR 22 2HG2 THR 22 0.582 -17.123 -3.159 132 H SER 23 H SER 23 -1.567 -12.721 -1.811 133 HA SER 23 HA SER 23 -1.476 -10.869 -3.971 134 HB2 SER 23 1HB SER 23 -3.218 -12.119 -4.986 135 HB3 SER 23 2HB SER 23 -4.054 -12.348 -3.450 136 HG SER 23 HG SER 23 -3.770 -9.938 -4.919 137 H ILE 24 H ILE 24 -3.036 -8.956 -3.466 138 HA ILE 24 HA ILE 24 -3.765 -8.608 -0.713 139 HB ILE 24 HB ILE 24 -1.421 -7.033 -1.785 140 HG12 ILE 24 1HG1 ILE 24 -1.675 -9.082 0.421 141 HG13 ILE 24 2HG1 ILE 24 -0.692 -9.195 -1.034 142 HG21 ILE 24 1HG2 ILE 24 -2.800 -5.555 -0.522 143 HG22 ILE 24 2HG2 ILE 24 -3.012 -6.751 0.755 144 HG23 ILE 24 3HG2 ILE 24 -1.435 -6.006 0.499 145 HD11 ILE 24 3HD1 ILE 24 0.614 -7.235 -0.177 146 HD12 ILE 24 1HD1 ILE 24 -0.266 -7.409 1.341 147 HD13 ILE 24 2HD1 ILE 24 0.765 -8.719 0.763 148 H LEU 25 H LEU 25 -5.719 -7.782 -1.157 149 HA LEU 25 HA LEU 25 -6.079 -5.843 -3.279 150 HB2 LEU 25 1HB LEU 25 -7.703 -7.694 -2.741 151 HB3 LEU 25 2HB LEU 25 -8.119 -6.798 -1.282 152 HG LEU 25 HG LEU 25 -8.909 -4.930 -2.670 153 HD11 LEU 25 1HD1 LEU 25 -7.449 -6.247 -4.690 154 HD12 LEU 25 2HD1 LEU 25 -8.363 -4.744 -4.808 155 HD13 LEU 25 3HD1 LEU 25 -9.146 -6.281 -5.171 156 HD21 LEU 25 3HD2 LEU 25 -10.811 -6.287 -3.801 157 HD22 LEU 25 1HD2 LEU 25 -10.655 -6.310 -2.044 158 HD23 LEU 25 2HD2 LEU 25 -10.063 -7.670 -2.999 159 H ILE 26 H ILE 26 -5.250 -3.890 -2.769 160 HA ILE 26 HA ILE 26 -5.763 -2.751 -0.129 161 HB ILE 26 HB ILE 26 -4.168 -1.519 -2.372 162 HG12 ILE 26 1HG1 ILE 26 -2.860 -2.877 -0.059 163 HG13 ILE 26 2HG1 ILE 26 -3.479 -3.880 -1.366 164 HG21 ILE 26 1HG2 ILE 26 -4.630 0.159 -0.835 165 HG22 ILE 26 2HG2 ILE 26 -4.523 -0.936 0.542 166 HG23 ILE 26 3HG2 ILE 26 -3.058 -0.439 -0.305 167 HD11 ILE 26 3HD1 ILE 26 -1.725 -3.415 -2.626 168 HD12 ILE 26 1HD1 ILE 26 -1.968 -1.680 -2.422 169 HD13 ILE 26 2HD1 ILE 26 -1.020 -2.583 -1.240 170 H THR 27 H THR 27 -7.682 -1.797 0.084 171 HA THR 27 HA THR 27 -8.728 -0.206 -2.160 172 HB THR 27 HB THR 27 -10.930 -0.371 -1.037 173 HG1 THR 27 1HG THR 27 -10.887 -2.200 0.627 174 HG21 THR 27 3HG2 THR 27 -9.419 -2.616 -2.144 175 HG22 THR 27 1HG2 THR 27 -11.037 -2.037 -2.538 176 HG23 THR 27 2HG2 THR 27 -10.795 -3.109 -1.159 177 H TRP 28 H TRP 28 -7.903 1.802 -1.882 178 HA TRP 28 HA TRP 28 -8.249 3.064 0.756 179 HB2 TRP 28 1HB TRP 28 -6.473 4.597 0.150 180 HB3 TRP 28 2HB TRP 28 -5.915 2.943 -0.088 181 HD1 TRP 28 HD TRP 28 -6.341 6.195 -1.884 182 HE1 TRP 28 1HE TRP 28 -5.651 5.931 -4.349 183 HE3 TRP 28 3HE TRP 28 -6.002 1.098 -2.090 184 HZ2 TRP 28 2HZ TRP 28 -5.045 3.838 -6.144 185 HZ3 TRP 28 3HZ TRP 28 -5.361 0.044 -4.219 186 HH2 TRP 28 HH TRP 28 -4.894 1.387 -6.203 187 H GLU 29 H GLU 29 -8.535 5.529 0.558 188 HA GLU 29 HA GLU 29 -10.234 6.238 -1.722 189 HB2 GLU 29 1HB GLU 29 -11.044 6.073 1.131 190 HB3 GLU 29 2HB GLU 29 -11.635 7.451 0.213 191 HG2 GLU 29 1HG GLU 29 -12.264 5.551 -1.520 192 HG3 GLU 29 2HG GLU 29 -12.279 4.573 -0.054 193 HA PRO 30 HA PRO 30 -8.278 10.161 -1.597 194 HB2 PRO 30 1HB PRO 30 -10.306 11.864 -2.192 195 HB3 PRO 30 2HB PRO 30 -9.587 10.774 -3.383 196 HG2 PRO 30 1HG PRO 30 -12.113 10.458 -1.807 197 HG3 PRO 30 2HG PRO 30 -11.813 10.114 -3.521 198 HD2 PRO 30 1HD PRO 30 -11.862 8.174 -1.632 199 HD3 PRO 30 2HD PRO 30 -10.823 8.081 -3.069 200 HA PRO 31 HA PRO 31 -8.889 11.620 2.564 201 HB2 PRO 31 1HB PRO 31 -6.949 13.518 2.508 202 HB3 PRO 31 2HB PRO 31 -6.601 11.793 2.670 203 HG2 PRO 31 1HG PRO 31 -6.487 13.527 0.233 204 HG3 PRO 31 2HG PRO 31 -5.346 12.283 0.775 205 HD2 PRO 31 1HD PRO 31 -7.186 11.828 -1.158 206 HD3 PRO 31 2HD PRO 31 -6.641 10.560 -0.042 207 H ALA 32 H ALA 32 -10.772 12.715 2.771 208 HA ALA 32 HA ALA 32 -11.632 14.881 1.238 209 HB1 ALA 32 3HB ALA 32 -12.675 15.038 3.915 210 HB2 ALA 32 1HB ALA 32 -13.493 14.598 2.416 211 HB3 ALA 32 2HB ALA 32 -12.648 13.366 3.354 212 H TYR 33 H TYR 33 -9.893 14.817 4.325 213 HA TYR 33 HA TYR 33 -9.718 17.728 4.333 214 HB2 TYR 33 1HB TYR 33 -8.626 17.402 6.549 215 HB3 TYR 33 2HB TYR 33 -10.238 16.700 6.456 216 HD1 TYR 33 1HD TYR 33 -10.504 14.238 6.284 217 HD2 TYR 33 2HD TYR 33 -6.703 16.040 6.924 218 HE1 TYR 33 1HE TYR 33 -9.608 12.070 7.022 219 HE2 TYR 33 2HE TYR 33 -5.796 13.876 7.662 220 HH TYR 33 HH TYR 33 -6.532 11.771 8.528 221 H ALA 34 H ALA 34 -8.421 17.096 2.192 222 HA ALA 34 HA ALA 34 -5.570 16.897 2.907 223 HB1 ALA 34 3HB ALA 34 -6.594 16.500 0.124 224 HB2 ALA 34 1HB ALA 34 -5.125 15.877 0.876 225 HB3 ALA 34 2HB ALA 34 -6.695 15.198 1.309 226 H ASN 35 H ASN 35 -4.067 18.252 1.770 227 HA ASN 35 HA ASN 35 -5.137 20.909 1.320 228 HB2 ASN 35 1HB ASN 35 -3.080 20.520 2.686 229 HB3 ASN 35 2HB ASN 35 -2.259 19.982 1.223 230 HD21 ASN 35 1HD2 ASN 35 -0.913 21.488 0.575 231 HD22 ASN 35 2HD2 ASN 35 -1.233 23.185 0.513 232 H GLY 36 H GLY 36 -6.111 21.035 -0.645 233 HA2 GLY 36 1HA GLY 36 -6.137 21.443 -2.920 234 HA3 GLY 36 2HA GLY 36 -4.412 21.112 -2.959 235 HA PRO 37 HA PRO 37 -6.519 17.669 -5.197 236 HB2 PRO 37 1HB PRO 37 -4.693 17.560 -7.203 237 HB3 PRO 37 2HB PRO 37 -6.077 18.660 -7.222 238 HG2 PRO 37 1HG PRO 37 -3.230 19.211 -6.480 239 HG3 PRO 37 2HG PRO 37 -4.341 20.189 -7.456 240 HD2 PRO 37 1HD PRO 37 -3.820 20.735 -4.855 241 HD3 PRO 37 2HD PRO 37 -5.396 21.067 -5.603 242 H VAL 38 H VAL 38 -5.281 15.656 -6.181 243 HA VAL 38 HA VAL 38 -3.009 14.955 -4.453 244 HB VAL 38 HB VAL 38 -5.455 13.240 -4.901 245 HG11 VAL 38 1HG1 VAL 38 -3.568 12.227 -2.974 246 HG12 VAL 38 2HG1 VAL 38 -4.269 11.431 -4.384 247 HG13 VAL 38 3HG1 VAL 38 -2.813 12.411 -4.556 248 HG21 VAL 38 3HG2 VAL 38 -4.410 14.822 -2.597 249 HG22 VAL 38 1HG2 VAL 38 -6.063 14.645 -3.185 250 HG23 VAL 38 2HG2 VAL 38 -5.302 13.333 -2.286 251 H GLN 39 H GLN 39 -1.534 15.017 -6.111 252 HA GLN 39 HA GLN 39 -1.667 14.320 -8.699 253 HB2 GLN 39 1HB GLN 39 0.499 13.899 -6.678 254 HB3 GLN 39 2HB GLN 39 0.717 13.289 -8.313 255 HG2 GLN 39 1HG GLN 39 0.159 15.639 -9.098 256 HG3 GLN 39 2HG GLN 39 0.367 16.128 -7.417 257 HE21 GLN 39 1HE2 GLN 39 1.966 17.340 -9.093 258 HE22 GLN 39 2HE2 GLN 39 3.576 16.715 -9.034 259 H GLY 40 H GLY 40 -1.418 12.033 -6.010 260 HA2 GLY 40 1HA GLY 40 -2.893 10.010 -7.191 261 HA3 GLY 40 2HA GLY 40 -1.221 9.710 -7.641 262 H TYR 41 H TYR 41 -0.832 7.898 -6.465 263 HA TYR 41 HA TYR 41 -0.547 8.256 -3.600 264 HB2 TYR 41 1HB TYR 41 -2.122 5.891 -4.616 265 HB3 TYR 41 2HB TYR 41 -1.874 6.386 -2.946 266 HD1 TYR 41 1HD TYR 41 -3.673 7.137 -6.067 267 HD2 TYR 41 2HD TYR 41 -3.222 8.105 -1.948 268 HE1 TYR 41 1HE TYR 41 -5.769 8.423 -6.146 269 HE2 TYR 41 2HE TYR 41 -5.317 9.392 -2.015 270 HH TYR 41 HH TYR 41 -7.164 9.841 -3.232 271 H ARG 42 H ARG 42 1.035 6.981 -2.709 272 HA ARG 42 HA ARG 42 2.476 5.226 -4.587 273 HB2 ARG 42 1HB ARG 42 3.410 7.238 -2.607 274 HB3 ARG 42 2HB ARG 42 4.384 5.786 -2.800 275 HG2 ARG 42 1HG ARG 42 4.868 6.263 -5.033 276 HG3 ARG 42 2HG ARG 42 3.548 7.427 -5.162 277 HD2 ARG 42 1HD ARG 42 4.920 8.635 -3.246 278 HD3 ARG 42 2HD ARG 42 6.253 7.736 -3.970 279 HE ARG 42 HE ARG 42 4.654 9.195 -5.867 280 HH11 ARG 42 1HH1 ARG 42 7.363 9.328 -3.686 281 HH12 ARG 42 2HH1 ARG 42 8.135 10.638 -4.517 282 HH21 ARG 42 1HH2 ARG 42 5.660 10.920 -6.970 283 HH22 ARG 42 2HH2 ARG 42 7.165 11.543 -6.384 284 H LEU 43 H LEU 43 2.738 3.155 -4.038 285 HA LEU 43 HA LEU 43 2.035 2.362 -1.290 286 HB2 LEU 43 1HB LEU 43 0.445 1.404 -2.710 287 HB3 LEU 43 2HB LEU 43 1.647 1.015 -3.939 288 HG LEU 43 HG LEU 43 2.573 -0.620 -2.139 289 HD11 LEU 43 1HD1 LEU 43 0.771 -1.535 -0.710 290 HD12 LEU 43 2HD1 LEU 43 -0.249 -0.176 -1.181 291 HD13 LEU 43 3HD1 LEU 43 1.238 0.110 -0.277 292 HD21 LEU 43 3HD2 LEU 43 -0.041 -1.538 -3.198 293 HD22 LEU 43 1HD2 LEU 43 1.545 -2.305 -3.270 294 HD23 LEU 43 2HD2 LEU 43 1.161 -0.972 -4.359 295 H PHE 44 H PHE 44 3.519 1.361 -0.087 296 HA PHE 44 HA PHE 44 5.955 0.385 -1.428 297 HB2 PHE 44 1HB PHE 44 5.844 1.433 1.399 298 HB3 PHE 44 2HB PHE 44 7.271 1.119 0.416 299 HD1 PHE 44 2HD PHE 44 7.772 2.604 -1.521 300 HD2 PHE 44 1HD PHE 44 4.721 3.501 1.308 301 HE1 PHE 44 2HE PHE 44 7.774 4.948 -2.267 302 HE2 PHE 44 1HE PHE 44 4.717 5.846 0.565 303 HZ PHE 44 HZ PHE 44 6.246 6.573 -1.223 304 H CYS 45 H CYS 45 6.172 -1.741 -1.319 305 HA CYS 45 HA CYS 45 4.947 -3.171 0.943 306 HB2 CYS 45 1HB CYS 45 3.976 -3.851 -1.156 307 HB3 CYS 45 2HB CYS 45 5.567 -4.095 -1.867 308 HG CYS 45 HG CYS 45 5.127 -5.939 0.864 309 H THR 46 H THR 46 6.252 -4.099 2.368 310 HA THR 46 HA THR 46 9.010 -4.738 1.546 311 HB THR 46 HB THR 46 8.146 -3.699 4.252 312 HG1 THR 46 1HG THR 46 8.340 -2.229 2.289 313 HG21 THR 46 3HG2 THR 46 10.027 -4.678 4.965 314 HG22 THR 46 1HG2 THR 46 10.899 -3.480 4.009 315 HG23 THR 46 2HG2 THR 46 10.537 -5.063 3.321 316 H GLU 47 H GLU 47 9.561 -6.799 1.802 317 HA GLU 47 HA GLU 47 7.752 -8.626 3.108 318 HB2 GLU 47 1HB GLU 47 9.033 -9.080 0.952 319 HB3 GLU 47 2HB GLU 47 10.459 -9.287 1.958 320 HG2 GLU 47 1HG GLU 47 9.439 -11.136 3.110 321 HG3 GLU 47 2HG GLU 47 7.926 -10.884 2.242 322 H VAL 48 H VAL 48 7.814 -9.058 5.202 323 HA VAL 48 HA VAL 48 9.890 -8.201 6.920 324 HB VAL 48 HB VAL 48 7.693 -10.206 7.456 325 HG11 VAL 48 1HG1 VAL 48 9.863 -9.122 9.107 326 HG12 VAL 48 2HG1 VAL 48 8.261 -9.035 9.841 327 HG13 VAL 48 3HG1 VAL 48 8.905 -10.588 9.309 328 HG21 VAL 48 3HG2 VAL 48 7.777 -7.274 8.148 329 HG22 VAL 48 1HG2 VAL 48 6.959 -7.927 6.729 330 HG23 VAL 48 2HG2 VAL 48 6.424 -8.388 8.345 331 H SER 49 H SER 49 9.471 -11.029 5.030 332 HA SER 49 HA SER 49 11.086 -12.784 6.607 333 HB2 SER 49 1HB SER 49 9.490 -13.764 5.096 334 HB3 SER 49 2HB SER 49 10.184 -12.903 3.722 335 HG SER 49 HG SER 49 11.466 -14.910 5.269 336 H THR 50 H THR 50 11.659 -11.040 3.552 337 HA THR 50 HA THR 50 14.507 -11.594 3.727 338 HB THR 50 HB THR 50 14.574 -10.236 1.570 339 HG1 THR 50 1HG THR 50 12.468 -10.061 0.557 340 HG21 THR 50 3HG2 THR 50 13.552 -12.080 0.236 341 HG22 THR 50 1HG2 THR 50 12.912 -12.750 1.736 342 HG23 THR 50 2HG2 THR 50 14.655 -12.639 1.494 343 H GLY 51 H GLY 51 12.352 -8.766 3.719 344 HA2 GLY 51 1HA GLY 51 12.753 -6.927 5.216 345 HA3 GLY 51 2HA GLY 51 14.473 -7.275 5.116 346 H LYS 52 H LYS 52 13.023 -7.515 2.097 347 HA LYS 52 HA LYS 52 14.254 -5.016 1.264 348 HB2 LYS 52 1HB LYS 52 13.873 -5.815 -1.011 349 HB3 LYS 52 2HB LYS 52 14.667 -7.052 -0.045 350 HG2 LYS 52 1HG LYS 52 12.158 -7.821 0.341 351 HG3 LYS 52 2HG LYS 52 11.944 -7.004 -1.209 352 HD2 LYS 52 1HD LYS 52 14.043 -9.106 -0.696 353 HD3 LYS 52 2HD LYS 52 12.449 -9.456 -1.368 354 HE2 LYS 52 1HE LYS 52 14.332 -7.454 -2.593 355 HE3 LYS 52 2HE LYS 52 14.340 -9.162 -3.031 356 HZ1 LYS 52 3HZ LYS 52 12.179 -9.013 -3.893 357 HZ2 LYS 52 1HZ LYS 52 12.971 -7.635 -4.473 358 HZ3 LYS 52 2HZ LYS 52 11.890 -7.508 -3.178 359 H GLU 53 H GLU 53 13.172 -3.364 0.154 360 HA GLU 53 HA GLU 53 10.243 -3.376 0.485 361 HB2 GLU 53 1HB GLU 53 11.205 -1.809 2.040 362 HB3 GLU 53 2HB GLU 53 12.197 -1.092 0.778 363 HG2 GLU 53 1HG GLU 53 10.295 -0.142 -0.288 364 HG3 GLU 53 2HG GLU 53 9.192 -1.037 0.756 365 H GLN 54 H GLN 54 8.990 -2.677 -1.193 366 HA GLN 54 HA GLN 54 10.387 -1.836 -3.644 367 HB2 GLN 54 1HB GLN 54 8.950 -3.201 -4.984 368 HB3 GLN 54 2HB GLN 54 9.626 -4.223 -3.723 369 HG2 GLN 54 1HG GLN 54 7.560 -4.070 -2.460 370 HG3 GLN 54 2HG GLN 54 6.880 -2.992 -3.678 371 HE21 GLN 54 1HE2 GLN 54 6.129 -5.715 -2.670 372 HE22 GLN 54 2HE2 GLN 54 5.969 -6.677 -4.096 373 H ASN 55 H ASN 55 9.613 -0.059 -4.599 374 HA ASN 55 HA ASN 55 7.231 1.182 -3.447 375 HB2 ASN 55 1HB ASN 55 9.224 2.375 -5.383 376 HB3 ASN 55 2HB ASN 55 8.004 3.240 -4.453 377 HD21 ASN 55 1HD2 ASN 55 10.486 4.135 -4.252 378 HD22 ASN 55 2HD2 ASN 55 11.190 3.718 -2.730 379 H ILE 56 H ILE 56 5.398 1.603 -4.571 380 HA ILE 56 HA ILE 56 5.351 0.969 -7.439 381 HB ILE 56 HB ILE 56 3.304 0.019 -5.432 382 HG12 ILE 56 1HG1 ILE 56 4.953 -1.736 -7.225 383 HG13 ILE 56 2HG1 ILE 56 5.607 -1.174 -5.690 384 HG21 ILE 56 1HG2 ILE 56 2.341 0.712 -7.597 385 HG22 ILE 56 2HG2 ILE 56 3.410 -0.429 -8.411 386 HG23 ILE 56 3HG2 ILE 56 2.175 -1.018 -7.298 387 HD11 ILE 56 3HD1 ILE 56 4.687 -3.034 -4.874 388 HD12 ILE 56 1HD1 ILE 56 3.180 -2.119 -4.927 389 HD13 ILE 56 2HD1 ILE 56 3.594 -3.215 -6.246 390 H GLU 57 H GLU 57 3.779 2.062 -8.656 391 HA GLU 57 HA GLU 57 2.432 4.274 -7.249 392 HB2 GLU 57 1HB GLU 57 4.152 4.283 -9.671 393 HB3 GLU 57 2HB GLU 57 2.745 5.337 -9.689 394 HG2 GLU 57 1HG GLU 57 3.672 6.044 -7.327 395 HG3 GLU 57 2HG GLU 57 5.188 5.459 -8.010 396 H VAL 58 H VAL 58 0.398 3.444 -7.160 397 HA VAL 58 HA VAL 58 -0.820 2.499 -9.663 398 HB VAL 58 HB VAL 58 -2.552 1.482 -8.315 399 HG11 VAL 58 1HG1 VAL 58 0.293 0.919 -7.596 400 HG12 VAL 58 2HG1 VAL 58 -1.008 0.014 -6.819 401 HG13 VAL 58 3HG1 VAL 58 -0.826 -0.030 -8.574 402 HG21 VAL 58 3HG2 VAL 58 -3.082 2.238 -6.295 403 HG22 VAL 58 1HG2 VAL 58 -1.492 1.781 -5.685 404 HG23 VAL 58 2HG2 VAL 58 -1.742 3.381 -6.384 405 H ASP 59 H ASP 59 -2.970 3.200 -10.202 406 HA ASP 59 HA ASP 59 -3.737 5.781 -9.017 407 HB2 ASP 59 1HB ASP 59 -4.467 6.405 -11.407 408 HB3 ASP 59 2HB ASP 59 -2.747 6.469 -11.031 409 H GLY 60 H GLY 60 -5.745 5.738 -8.266 410 HA2 GLY 60 1HA GLY 60 -8.098 5.287 -9.331 411 HA3 GLY 60 2HA GLY 60 -7.552 3.623 -9.190 412 H LEU 61 H LEU 61 -8.906 2.851 -7.659 413 HA LEU 61 HA LEU 61 -8.848 4.201 -5.040 414 HB2 LEU 61 1HB LEU 61 -11.094 2.992 -6.572 415 HB3 LEU 61 2HB LEU 61 -11.118 2.869 -4.814 416 HG LEU 61 HG LEU 61 -10.948 5.465 -6.340 417 HD11 LEU 61 1HD1 LEU 61 -13.272 3.895 -5.307 418 HD12 LEU 61 2HD1 LEU 61 -13.081 4.734 -6.846 419 HD13 LEU 61 3HD1 LEU 61 -13.340 5.656 -5.365 420 HD21 LEU 61 3HD2 LEU 61 -11.905 5.371 -3.562 421 HD22 LEU 61 1HD2 LEU 61 -10.843 6.530 -4.362 422 HD23 LEU 61 2HD2 LEU 61 -10.196 4.994 -3.784 423 H SER 62 H SER 62 -8.855 1.164 -6.797 424 HA SER 62 HA SER 62 -7.771 -0.149 -4.405 425 HB2 SER 62 1HB SER 62 -9.788 -1.444 -6.251 426 HB3 SER 62 2HB SER 62 -9.107 -2.129 -4.777 427 HG SER 62 HG SER 62 -10.581 0.286 -4.791 428 H TYR 63 H TYR 63 -6.358 -1.898 -4.816 429 HA TYR 63 HA TYR 63 -5.626 -2.469 -7.571 430 HB2 TYR 63 1HB TYR 63 -4.252 -0.522 -7.080 431 HB3 TYR 63 2HB TYR 63 -3.675 -1.269 -5.594 432 HD1 TYR 63 2HD TYR 63 -2.274 -3.378 -5.776 433 HD2 TYR 63 1HD TYR 63 -3.165 -0.912 -9.127 434 HE1 TYR 63 2HE TYR 63 -0.395 -4.381 -7.006 435 HE2 TYR 63 1HE TYR 63 -1.289 -1.909 -10.367 436 HH TYR 63 HH TYR 63 0.167 -3.677 -10.395 437 H LYS 64 H LYS 64 -5.554 -4.604 -7.664 438 HA LYS 64 HA LYS 64 -5.049 -6.187 -5.296 439 HB2 LYS 64 1HB LYS 64 -6.787 -6.703 -7.101 440 HB3 LYS 64 2HB LYS 64 -5.436 -7.227 -8.099 441 HG2 LYS 64 1HG LYS 64 -4.849 -8.745 -6.091 442 HG3 LYS 64 2HG LYS 64 -6.515 -8.445 -5.592 443 HD2 LYS 64 1HD LYS 64 -7.020 -9.093 -8.099 444 HD3 LYS 64 2HD LYS 64 -5.471 -9.927 -7.956 445 HE2 LYS 64 1HE LYS 64 -7.492 -10.305 -5.805 446 HE3 LYS 64 2HE LYS 64 -7.749 -11.118 -7.348 447 HZ1 LYS 64 3HZ LYS 64 -5.068 -11.406 -6.393 448 HZ2 LYS 64 1HZ LYS 64 -6.168 -12.592 -6.890 449 HZ3 LYS 64 2HZ LYS 64 -6.200 -12.022 -5.298 450 H LEU 65 H LEU 65 -3.111 -6.872 -4.693 451 HA LEU 65 HA LEU 65 -0.873 -6.670 -6.543 452 HB2 LEU 65 1HB LEU 65 -1.044 -5.994 -3.975 453 HB3 LEU 65 2HB LEU 65 -0.521 -7.664 -3.769 454 HG LEU 65 HG LEU 65 1.348 -6.911 -5.487 455 HD11 LEU 65 1HD1 LEU 65 0.041 -4.446 -4.792 456 HD12 LEU 65 2HD1 LEU 65 1.336 -4.742 -5.952 457 HD13 LEU 65 3HD1 LEU 65 1.722 -4.430 -4.260 458 HD21 LEU 65 3HD2 LEU 65 1.924 -5.844 -2.819 459 HD22 LEU 65 1HD2 LEU 65 2.726 -7.123 -3.731 460 HD23 LEU 65 2HD2 LEU 65 1.254 -7.476 -2.827 461 H GLU 66 H GLU 66 0.576 -8.393 -6.954 462 HA GLU 66 HA GLU 66 -0.237 -11.078 -6.174 463 HB2 GLU 66 1HB GLU 66 0.144 -10.391 -9.088 464 HB3 GLU 66 2HB GLU 66 -0.374 -11.928 -8.411 465 HG2 GLU 66 1HG GLU 66 -2.400 -10.701 -7.526 466 HG3 GLU 66 2HG GLU 66 -1.908 -9.353 -8.549 467 H GLY 67 H GLY 67 1.381 -12.726 -6.869 468 HA2 GLY 67 1HA GLY 67 3.563 -13.390 -7.397 469 HA3 GLY 67 2HA GLY 67 4.013 -11.700 -7.565 470 H LEU 68 H LEU 68 2.376 -13.083 -4.776 471 HA LEU 68 HA LEU 68 4.738 -12.405 -3.160 472 HB2 LEU 68 1HB LEU 68 1.882 -12.731 -2.257 473 HB3 LEU 68 2HB LEU 68 3.237 -12.172 -1.279 474 HG LEU 68 HG LEU 68 2.553 -10.607 -3.710 475 HD11 LEU 68 1HD1 LEU 68 0.817 -10.864 -1.293 476 HD12 LEU 68 2HD1 LEU 68 0.364 -10.736 -2.992 477 HD13 LEU 68 3HD1 LEU 68 0.949 -9.315 -2.127 478 HD21 LEU 68 3HD2 LEU 68 3.310 -9.775 -0.914 479 HD22 LEU 68 1HD2 LEU 68 3.298 -8.772 -2.364 480 HD23 LEU 68 2HD2 LEU 68 4.468 -10.082 -2.209 481 H LYS 69 H LYS 69 4.540 -13.745 -0.942 482 HA LYS 69 HA LYS 69 4.895 -16.506 -1.751 483 HB2 LYS 69 1HB LYS 69 5.418 -15.011 0.813 484 HB3 LYS 69 2HB LYS 69 5.593 -16.757 0.694 485 HG2 LYS 69 1HG LYS 69 7.426 -16.614 -0.697 486 HG3 LYS 69 2HG LYS 69 7.013 -14.988 -1.245 487 HD2 LYS 69 1HD LYS 69 7.890 -13.988 0.634 488 HD3 LYS 69 2HD LYS 69 7.666 -15.426 1.633 489 HE2 LYS 69 1HE LYS 69 9.957 -15.395 1.343 490 HE3 LYS 69 2HE LYS 69 9.440 -16.476 0.050 491 HZ1 LYS 69 3HZ LYS 69 10.344 -13.673 -0.147 492 HZ2 LYS 69 1HZ LYS 69 9.412 -14.373 -1.373 493 HZ3 LYS 69 2HZ LYS 69 10.918 -15.032 -0.975 494 H LYS 70 H LYS 70 3.650 -18.216 -1.163 495 HA LYS 70 HA LYS 70 1.021 -18.204 -0.890 496 HB2 LYS 70 1HB LYS 70 2.774 -20.172 -0.687 497 HB3 LYS 70 2HB LYS 70 2.420 -20.018 1.029 498 HG2 LYS 70 1HG LYS 70 0.256 -20.739 0.791 499 HG3 LYS 70 2HG LYS 70 0.160 -20.232 -0.898 500 HD2 LYS 70 1HD LYS 70 2.037 -22.418 -0.095 501 HD3 LYS 70 2HD LYS 70 0.320 -22.765 -0.314 502 HE2 LYS 70 1HE LYS 70 1.055 -23.167 -2.434 503 HE3 LYS 70 2HE LYS 70 0.715 -21.443 -2.571 504 HZ1 LYS 70 3HZ LYS 70 3.378 -22.081 -1.648 505 HZ2 LYS 70 1HZ LYS 70 2.873 -20.954 -2.804 506 HZ3 LYS 70 2HZ LYS 70 3.048 -22.582 -3.229 507 H PHE 71 H PHE 71 2.864 -18.586 2.134 508 HA PHE 71 HA PHE 71 0.978 -16.734 3.427 509 HB2 PHE 71 1HB PHE 71 0.421 -19.119 3.939 510 HB3 PHE 71 2HB PHE 71 2.014 -19.288 4.670 511 HD1 PHE 71 1HD PHE 71 2.581 -17.656 6.588 512 HD2 PHE 71 2HD PHE 71 -1.374 -18.437 5.223 513 HE1 PHE 71 1HE PHE 71 1.685 -16.843 8.731 514 HE2 PHE 71 2HE PHE 71 -2.277 -17.624 7.362 515 HZ PHE 71 HZ PHE 71 -0.747 -16.825 9.120 516 H THR 72 H THR 72 2.266 -15.011 3.748 517 HA THR 72 HA THR 72 4.486 -15.315 5.595 518 HB THR 72 HB THR 72 4.875 -14.093 2.857 519 HG1 THR 72 1HG THR 72 5.362 -16.163 2.567 520 HG21 THR 72 3HG2 THR 72 6.756 -13.062 3.560 521 HG22 THR 72 1HG2 THR 72 7.167 -14.354 4.687 522 HG23 THR 72 2HG2 THR 72 5.978 -13.132 5.141 523 H GLU 73 H GLU 73 4.488 -13.698 7.023 524 HA GLU 73 HA GLU 73 2.538 -11.680 6.994 525 HB2 GLU 73 1HB GLU 73 3.549 -12.509 9.062 526 HB3 GLU 73 2HB GLU 73 5.103 -11.838 8.587 527 HG2 GLU 73 1HG GLU 73 4.362 -9.632 8.869 528 HG3 GLU 73 2HG GLU 73 2.669 -10.120 8.919 529 H TYR 74 H TYR 74 2.510 -10.227 5.379 530 HA TYR 74 HA TYR 74 5.009 -8.922 4.587 531 HB2 TYR 74 1HB TYR 74 2.315 -9.218 3.306 532 HB3 TYR 74 2HB TYR 74 3.386 -7.916 2.801 533 HD1 TYR 74 2HD TYR 74 5.786 -8.607 2.097 534 HD2 TYR 74 1HD TYR 74 2.521 -11.324 2.341 535 HE1 TYR 74 2HE TYR 74 6.971 -10.157 0.599 536 HE2 TYR 74 1HE TYR 74 3.698 -12.882 0.845 537 HH TYR 74 HH TYR 74 7.014 -12.348 -0.123 538 H SER 75 H SER 75 5.095 -6.610 4.359 539 HA SER 75 HA SER 75 3.165 -5.154 6.037 540 HB2 SER 75 1HB SER 75 5.082 -3.789 6.901 541 HB3 SER 75 2HB SER 75 5.121 -5.476 7.415 542 HG SER 75 HG SER 75 6.787 -5.864 6.085 543 H LEU 76 H LEU 76 2.221 -3.608 4.901 544 HA LEU 76 HA LEU 76 3.699 -2.394 2.662 545 HB2 LEU 76 1HB LEU 76 0.718 -2.341 2.998 546 HB3 LEU 76 2HB LEU 76 1.663 -2.043 1.541 547 HG LEU 76 HG LEU 76 1.501 -4.744 2.862 548 HD11 LEU 76 1HD1 LEU 76 -0.543 -5.040 2.063 549 HD12 LEU 76 2HD1 LEU 76 0.017 -4.633 0.441 550 HD13 LEU 76 3HD1 LEU 76 -0.572 -3.364 1.515 551 HD21 LEU 76 3HD2 LEU 76 3.017 -3.643 0.708 552 HD22 LEU 76 1HD2 LEU 76 1.903 -4.854 0.072 553 HD23 LEU 76 2HD2 LEU 76 3.035 -5.284 1.355 554 H ARG 77 H ARG 77 2.788 -0.117 2.139 555 HA ARG 77 HA ARG 77 1.948 1.417 4.438 556 HB2 ARG 77 1HB ARG 77 4.370 1.262 4.807 557 HB3 ARG 77 2HB ARG 77 4.661 1.898 3.193 558 HG2 ARG 77 1HG ARG 77 3.662 4.013 3.808 559 HG3 ARG 77 2HG ARG 77 3.260 3.381 5.406 560 HD2 ARG 77 1HD ARG 77 5.259 4.745 5.527 561 HD3 ARG 77 2HD ARG 77 5.653 3.060 5.861 562 HE ARG 77 HE ARG 77 6.044 3.512 3.135 563 HH11 ARG 77 1HH1 ARG 77 7.383 4.509 6.190 564 HH12 ARG 77 2HH1 ARG 77 8.973 4.775 5.554 565 HH21 ARG 77 1HH2 ARG 77 8.133 3.858 2.286 566 HH22 ARG 77 2HH2 ARG 77 9.398 4.405 3.334 567 H PHE 78 H PHE 78 0.444 2.715 3.642 568 HA PHE 78 HA PHE 78 0.770 3.748 0.906 569 HB2 PHE 78 1HB PHE 78 -1.298 2.306 1.763 570 HB3 PHE 78 2HB PHE 78 -1.857 3.885 2.306 571 HD1 PHE 78 1HD PHE 78 -0.838 1.929 -0.650 572 HD2 PHE 78 2HD PHE 78 -2.703 5.476 0.782 573 HE1 PHE 78 1HE PHE 78 -1.651 2.414 -2.921 574 HE2 PHE 78 2HE PHE 78 -3.520 5.967 -1.486 575 HZ PHE 78 HZ PHE 78 -2.995 4.435 -3.341 576 H LEU 79 H LEU 79 0.391 5.928 0.469 577 HA LEU 79 HA LEU 79 -0.295 7.767 2.572 578 HB2 LEU 79 1HB LEU 79 1.745 8.964 2.688 579 HB3 LEU 79 2HB LEU 79 2.122 7.264 2.962 580 HG LEU 79 HG LEU 79 2.724 7.241 0.442 581 HD11 LEU 79 1HD1 LEU 79 2.273 9.185 -0.572 582 HD12 LEU 79 2HD1 LEU 79 3.770 9.742 0.174 583 HD13 LEU 79 3HD1 LEU 79 2.221 10.080 0.947 584 HD21 LEU 79 3HD2 LEU 79 5.006 7.914 0.962 585 HD22 LEU 79 1HD2 LEU 79 4.321 6.958 2.276 586 HD23 LEU 79 2HD2 LEU 79 4.450 8.710 2.435 587 H ALA 80 H ALA 80 -0.568 9.943 1.808 588 HA ALA 80 HA ALA 80 -1.160 10.021 -1.055 589 HB1 ALA 80 3HB ALA 80 -2.455 12.054 -0.500 590 HB2 ALA 80 1HB ALA 80 -2.984 10.630 0.398 591 HB3 ALA 80 2HB ALA 80 -1.991 11.854 1.190 592 H TYR 81 H TYR 81 -0.371 11.598 -2.434 593 HA TYR 81 HA TYR 81 1.534 13.549 -1.414 594 HB2 TYR 81 1HB TYR 81 3.364 12.847 -2.749 595 HB3 TYR 81 2HB TYR 81 2.776 11.394 -1.947 596 HD1 TYR 81 1HD TYR 81 2.809 13.230 -5.158 597 HD2 TYR 81 2HD TYR 81 1.962 9.550 -3.197 598 HE1 TYR 81 1HE TYR 81 2.582 12.124 -7.344 599 HE2 TYR 81 2HE TYR 81 1.734 8.434 -5.377 600 HH TYR 81 HH TYR 81 1.087 9.433 -7.896 601 H ASN 82 H ASN 82 1.364 15.423 -2.468 602 HA ASN 82 HA ASN 82 0.094 15.414 -5.127 603 HB2 ASN 82 1HB ASN 82 -0.725 17.773 -4.359 604 HB3 ASN 82 2HB ASN 82 -1.589 16.337 -3.818 605 HD21 ASN 82 1HD2 ASN 82 1.395 17.940 -2.763 606 HD22 ASN 82 2HD2 ASN 82 0.922 18.105 -1.109 607 H ARG 83 H ARG 83 0.390 17.841 -6.034 608 HA ARG 83 HA ARG 83 2.853 18.132 -7.045 609 HB2 ARG 83 1HB ARG 83 2.425 20.559 -7.267 610 HB3 ARG 83 2HB ARG 83 1.032 19.583 -7.711 611 HG2 ARG 83 1HG ARG 83 0.364 19.997 -5.199 612 HG3 ARG 83 2HG ARG 83 1.420 21.398 -5.392 613 HD2 ARG 83 1HD ARG 83 -0.953 20.706 -7.122 614 HD3 ARG 83 2HD ARG 83 -0.903 21.964 -5.888 615 HE ARG 83 HE ARG 83 0.220 22.082 -8.545 616 HH11 ARG 83 1HH1 ARG 83 0.243 23.413 -5.328 617 HH12 ARG 83 2HH1 ARG 83 0.902 24.937 -5.822 618 HH21 ARG 83 1HH2 ARG 83 1.087 24.084 -9.208 619 HH22 ARG 83 2HH2 ARG 83 1.381 25.318 -8.030 620 H TYR 84 H TYR 84 1.831 19.397 -3.897 621 HA TYR 84 HA TYR 84 4.216 20.725 -3.246 622 HB2 TYR 84 1HB TYR 84 2.357 19.399 -1.270 623 HB3 TYR 84 2HB TYR 84 3.402 20.789 -0.996 624 HD1 TYR 84 1HD TYR 84 2.886 22.613 -3.110 625 HD2 TYR 84 2HD TYR 84 0.142 20.019 -1.149 626 HE1 TYR 84 1HE TYR 84 1.039 24.123 -3.709 627 HE2 TYR 84 2HE TYR 84 -1.712 21.521 -1.744 628 HH TYR 84 HH TYR 84 -2.321 23.312 -2.939 629 H GLY 85 H GLY 85 3.087 17.491 -2.240 630 HA2 GLY 85 1HA GLY 85 5.285 15.992 -2.666 631 HA3 GLY 85 2HA GLY 85 5.706 16.840 -1.186 632 HA PRO 86 HA PRO 86 3.293 12.907 -0.268 633 HB2 PRO 86 1HB PRO 86 5.249 11.676 1.157 634 HB3 PRO 86 2HB PRO 86 5.079 11.499 -0.593 635 HG2 PRO 86 1HG PRO 86 6.926 13.269 0.961 636 HG3 PRO 86 2HG PRO 86 7.264 12.286 -0.476 637 HD2 PRO 86 1HD PRO 86 6.827 14.955 -0.607 638 HD3 PRO 86 2HD PRO 86 6.357 13.845 -1.911 639 H GLY 87 H GLY 87 1.951 13.173 1.397 640 HA2 GLY 87 1HA GLY 87 2.728 14.821 3.654 641 HA3 GLY 87 2HA GLY 87 1.130 14.161 3.343 642 H VAL 88 H VAL 88 0.750 13.304 5.344 643 HA VAL 88 HA VAL 88 2.650 11.767 6.793 644 HB VAL 88 HB VAL 88 -0.355 11.893 7.084 645 HG11 VAL 88 1HG1 VAL 88 0.330 11.158 9.484 646 HG12 VAL 88 2HG1 VAL 88 0.186 9.948 8.207 647 HG13 VAL 88 3HG1 VAL 88 1.776 10.542 8.685 648 HG21 VAL 88 3HG2 VAL 88 0.785 13.189 9.224 649 HG22 VAL 88 1HG2 VAL 88 1.822 13.660 7.877 650 HG23 VAL 88 2HG2 VAL 88 0.086 13.965 7.802 651 H SER 89 H SER 89 2.694 9.529 7.181 652 HA SER 89 HA SER 89 1.496 7.924 5.023 653 HB2 SER 89 1HB SER 89 3.921 7.245 6.700 654 HB3 SER 89 2HB SER 89 3.335 6.371 5.285 655 HG SER 89 HG SER 89 4.533 7.668 4.165 656 H THR 90 H THR 90 0.305 6.138 5.490 657 HA THR 90 HA THR 90 -0.924 5.955 8.027 658 HB THR 90 HB THR 90 -1.897 3.809 7.144 659 HG1 THR 90 1HG THR 90 -0.063 3.355 5.737 660 HG21 THR 90 3HG2 THR 90 -3.185 5.748 6.776 661 HG22 THR 90 1HG2 THR 90 -3.086 4.961 5.201 662 HG23 THR 90 2HG2 THR 90 -2.069 6.358 5.555 663 H ASP 91 H ASP 91 -1.047 3.849 9.263 664 HA ASP 91 HA ASP 91 1.572 3.162 10.161 665 HB2 ASP 91 1HB ASP 91 0.490 1.846 11.827 666 HB3 ASP 91 2HB ASP 91 -0.511 3.277 11.595 667 H ASP 92 H ASP 92 2.707 1.264 9.945 668 HA ASP 92 HA ASP 92 2.797 -0.071 7.594 669 HB2 ASP 92 1HB ASP 92 3.804 -2.010 8.902 670 HB3 ASP 92 2HB ASP 92 4.556 -0.434 9.141 671 H ILE 93 H ILE 93 1.295 -1.132 6.498 672 HA ILE 93 HA ILE 93 -0.937 -2.382 7.853 673 HB ILE 93 HB ILE 93 -0.290 -2.193 4.909 674 HG12 ILE 93 1HG1 ILE 93 -2.414 -0.712 6.459 675 HG13 ILE 93 2HG1 ILE 93 -0.803 -0.055 6.193 676 HG21 ILE 93 1HG2 ILE 93 -1.771 -4.128 5.768 677 HG22 ILE 93 2HG2 ILE 93 -2.976 -2.871 6.040 678 HG23 ILE 93 3HG2 ILE 93 -2.346 -3.151 4.417 679 HD11 ILE 93 3HD1 ILE 93 -1.344 -0.539 3.687 680 HD12 ILE 93 1HD1 ILE 93 -3.013 -0.503 4.254 681 HD13 ILE 93 2HD1 ILE 93 -1.975 0.904 4.480 682 H THR 94 H THR 94 -0.413 -4.263 8.820 683 HA THR 94 HA THR 94 1.285 -6.193 7.451 684 HB THR 94 HB THR 94 -0.027 -6.538 10.146 685 HG1 THR 94 1HG THR 94 2.505 -5.378 9.525 686 HG21 THR 94 3HG2 THR 94 0.881 -8.574 9.181 687 HG22 THR 94 1HG2 THR 94 1.885 -8.052 10.532 688 HG23 THR 94 2HG2 THR 94 2.420 -7.770 8.875 689 H VAL 95 H VAL 95 0.390 -7.556 6.058 690 HA VAL 95 HA VAL 95 -2.202 -8.766 6.740 691 HB VAL 95 HB VAL 95 -1.403 -7.767 4.002 692 HG11 VAL 95 1HG1 VAL 95 -4.127 -8.565 4.148 693 HG12 VAL 95 2HG1 VAL 95 -2.839 -9.219 3.133 694 HG13 VAL 95 3HG1 VAL 95 -3.129 -9.894 4.737 695 HG21 VAL 95 3HG2 VAL 95 -2.621 -6.427 6.130 696 HG22 VAL 95 1HG2 VAL 95 -2.537 -5.907 4.447 697 HG23 VAL 95 2HG2 VAL 95 -3.930 -6.826 5.017 698 H VAL 96 H VAL 96 -1.800 -10.851 7.065 699 HA VAL 96 HA VAL 96 0.409 -12.194 5.789 700 HB VAL 96 HB VAL 96 -1.759 -13.385 7.523 701 HG11 VAL 96 1HG1 VAL 96 0.784 -14.399 6.364 702 HG12 VAL 96 2HG1 VAL 96 0.326 -14.944 7.979 703 HG13 VAL 96 3HG1 VAL 96 -0.754 -15.224 6.613 704 HG21 VAL 96 3HG2 VAL 96 -0.770 -11.744 8.872 705 HG22 VAL 96 1HG2 VAL 96 0.085 -13.230 9.289 706 HG23 VAL 96 2HG2 VAL 96 0.839 -12.048 8.218 707 H THR 97 H THR 97 0.301 -13.030 3.822 708 HA THR 97 HA THR 97 -1.974 -13.223 2.246 709 HB THR 97 HB THR 97 -0.580 -14.921 0.897 710 HG1 THR 97 1HG THR 97 1.357 -15.423 1.646 711 HG21 THR 97 3HG2 THR 97 0.169 -12.083 1.482 712 HG22 THR 97 1HG2 THR 97 -0.579 -12.766 0.039 713 HG23 THR 97 2HG2 THR 97 1.134 -13.036 0.356 714 H LEU 98 H LEU 98 -3.147 -15.058 1.461 715 HA LEU 98 HA LEU 98 -4.129 -16.744 3.460 716 HB2 LEU 98 1HB LEU 98 -4.244 -17.331 0.513 717 HB3 LEU 98 2HB LEU 98 -5.387 -17.825 1.760 718 HG LEU 98 HG LEU 98 -4.984 -15.045 0.663 719 HD11 LEU 98 1HD1 LEU 98 -7.235 -15.281 -0.159 720 HD12 LEU 98 2HD1 LEU 98 -7.378 -16.874 0.583 721 HD13 LEU 98 3HD1 LEU 98 -6.255 -16.622 -0.753 722 HD21 LEU 98 3HD2 LEU 98 -5.866 -15.825 3.237 723 HD22 LEU 98 1HD2 LEU 98 -7.278 -15.279 2.331 724 HD23 LEU 98 2HD2 LEU 98 -5.882 -14.216 2.513 725 H SER 99 H SER 99 -4.277 -19.283 2.671 726 HA SER 99 HA SER 99 -1.536 -20.240 2.256 727 HB2 SER 99 1HB SER 99 -1.610 -20.394 4.591 728 HB3 SER 99 2HB SER 99 -3.318 -20.835 4.603 729 HG SER 99 HG SER 99 -2.468 -22.765 4.848 730 H ASP 100 H ASP 100 -1.765 -21.285 0.377 731 HA ASP 100 HA ASP 100 -4.079 -22.497 -0.595 732 HB2 ASP 100 1HB ASP 100 -1.826 -21.893 -1.780 733 HB3 ASP 100 2HB ASP 100 -1.368 -23.537 -1.344 734 H SER 101 H SER 101 -1.195 -24.131 0.731 735 HA SER 101 HA SER 101 -2.376 -26.685 0.832 736 HB2 SER 101 1HB SER 101 -0.476 -27.268 2.323 737 HB3 SER 101 2HB SER 101 0.043 -26.411 0.873 738 HG SER 101 HG SER 101 0.251 -24.539 2.094 739 H GLY 102 H GLY 102 -2.920 -27.935 2.750 740 HA2 GLY 102 1HA GLY 102 -3.289 -27.043 5.313 741 HA3 GLY 102 2HA GLY 102 -4.717 -26.486 4.452 742 HA PRO 103 HA PRO 103 -4.879 -31.301 4.155 743 HB2 PRO 103 1HB PRO 103 -2.961 -32.691 5.482 744 HB3 PRO 103 2HB PRO 103 -2.782 -32.172 3.801 745 HG2 PRO 103 1HG PRO 103 -1.699 -30.921 6.296 746 HG3 PRO 103 2HG PRO 103 -0.898 -31.179 4.735 747 HD2 PRO 103 1HD PRO 103 -1.924 -28.782 5.467 748 HD3 PRO 103 2HD PRO 103 -1.888 -29.330 3.778 749 H SER 104 H SER 104 -6.154 -32.523 5.481 750 HA SER 104 HA SER 104 -6.565 -31.516 8.173 751 HB2 SER 104 1HB SER 104 -8.081 -33.696 6.721 752 HB3 SER 104 2HB SER 104 -8.595 -32.834 8.171 753 HG SER 104 HG SER 104 -8.205 -31.715 5.590 754 H SER 105 H SER 105 -4.687 -32.267 9.215 755 HA SER 105 HA SER 105 -4.148 -35.112 9.298 756 HB2 SER 105 1HB SER 105 -2.317 -34.414 10.886 757 HB3 SER 105 2HB SER 105 -2.224 -33.676 9.287 758 HG SER 105 HG SER 105 -2.046 -31.941 10.512 759 H GLY 106 H GLY 106 -5.102 -32.587 11.622 760 HA2 GLY 106 1HA GLY 106 -5.570 -34.514 13.714 761 HA3 GLY 106 2HA GLY 106 -5.908 -32.791 13.786 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.556 32.019 8.736 2 HA2 GLY 1 1HA GLY 1 5.123 33.845 8.128 3 HA3 GLY 1 2HA GLY 1 6.506 34.922 8.254 4 H SER 2 H SER 2 6.086 31.841 6.529 5 HA SER 2 HA SER 2 6.118 33.158 3.962 6 HB2 SER 2 1HB SER 2 8.482 33.190 4.322 7 HB3 SER 2 2HB SER 2 8.479 31.529 4.913 8 HG SER 2 HG SER 2 8.330 30.793 2.907 9 H SER 3 H SER 3 5.051 31.980 2.490 10 HA SER 3 HA SER 3 4.093 29.351 3.289 11 HB2 SER 3 1HB SER 3 2.444 29.586 1.577 12 HB3 SER 3 2HB SER 3 2.575 31.160 2.363 13 HG SER 3 HG SER 3 3.745 30.374 -0.100 14 H GLY 4 H GLY 4 4.287 27.483 2.010 15 HA2 GLY 4 1HA GLY 4 6.058 27.568 -0.306 16 HA3 GLY 4 2HA GLY 4 6.640 26.666 1.086 17 H SER 5 H SER 5 6.203 24.570 1.102 18 HA SER 5 HA SER 5 3.904 23.618 -0.479 19 HB2 SER 5 1HB SER 5 6.564 22.252 -0.007 20 HB3 SER 5 2HB SER 5 5.197 21.531 -0.856 21 HG SER 5 HG SER 5 6.963 23.513 -1.677 22 H SER 6 H SER 6 2.475 22.280 0.477 23 HA SER 6 HA SER 6 3.041 21.480 3.256 24 HB2 SER 6 1HB SER 6 0.540 22.454 1.920 25 HB3 SER 6 2HB SER 6 0.420 21.396 3.326 26 HG SER 6 HG SER 6 1.347 22.915 4.571 27 H GLY 7 H GLY 7 1.970 19.491 3.991 28 HA2 GLY 7 1HA GLY 7 2.004 17.484 1.840 29 HA3 GLY 7 2HA GLY 7 2.281 17.159 3.545 30 HA PRO 8 HA PRO 8 -2.361 16.929 2.169 31 HB2 PRO 8 1HB PRO 8 -2.520 14.545 0.880 32 HB3 PRO 8 2HB PRO 8 -2.252 16.076 0.038 33 HG2 PRO 8 1HG PRO 8 -0.268 13.981 0.838 34 HG3 PRO 8 2HG PRO 8 -0.389 14.885 -0.683 35 HD2 PRO 8 1HD PRO 8 1.383 15.532 1.260 36 HD3 PRO 8 2HD PRO 8 0.646 16.748 0.196 37 H GLY 9 H GLY 9 -3.711 16.021 3.627 38 HA2 GLY 9 1HA GLY 9 -2.747 14.566 5.806 39 HA3 GLY 9 2HA GLY 9 -4.443 14.734 5.379 40 HA PRO 10 HA PRO 10 -2.804 10.313 4.765 41 HB2 PRO 10 1HB PRO 10 -4.012 9.158 6.905 42 HB3 PRO 10 2HB PRO 10 -2.383 9.841 6.974 43 HG2 PRO 10 1HG PRO 10 -4.979 11.040 7.861 44 HG3 PRO 10 2HG PRO 10 -3.404 11.054 8.676 45 HD2 PRO 10 1HD PRO 10 -4.336 13.172 7.270 46 HD3 PRO 10 2HD PRO 10 -2.607 12.784 7.378 47 H VAL 11 H VAL 11 -3.992 9.069 3.454 48 HA VAL 11 HA VAL 11 -6.520 9.658 2.574 49 HB VAL 11 HB VAL 11 -6.651 7.379 1.675 50 HG11 VAL 11 1HG1 VAL 11 -5.410 8.524 0.176 51 HG12 VAL 11 2HG1 VAL 11 -4.262 9.086 1.393 52 HG13 VAL 11 3HG1 VAL 11 -4.129 7.452 0.740 53 HG21 VAL 11 3HG2 VAL 11 -4.818 6.841 3.856 54 HG22 VAL 11 1HG2 VAL 11 -5.805 5.727 2.909 55 HG23 VAL 11 2HG2 VAL 11 -4.217 6.218 2.319 56 H GLU 12 H GLU 12 -8.398 7.942 2.694 57 HA GLU 12 HA GLU 12 -8.871 7.278 5.523 58 HB2 GLU 12 1HB GLU 12 -10.996 8.302 3.640 59 HB3 GLU 12 2HB GLU 12 -11.136 8.039 5.372 60 HG2 GLU 12 1HG GLU 12 -9.114 9.973 4.355 61 HG3 GLU 12 2HG GLU 12 -10.812 10.441 4.408 62 H ASN 13 H ASN 13 -10.963 5.838 5.640 63 HA ASN 13 HA ASN 13 -11.528 3.616 5.391 64 HB2 ASN 13 1HB ASN 13 -12.126 4.976 2.778 65 HB3 ASN 13 2HB ASN 13 -12.519 3.276 3.013 66 HD21 ASN 13 1HD2 ASN 13 -14.198 5.701 2.647 67 HD22 ASN 13 2HD2 ASN 13 -15.300 5.686 3.978 68 H LEU 14 H LEU 14 -8.812 3.720 5.299 69 HA LEU 14 HA LEU 14 -7.917 2.287 2.928 70 HB2 LEU 14 1HB LEU 14 -6.420 3.959 3.679 71 HB3 LEU 14 2HB LEU 14 -6.505 3.386 5.343 72 HG LEU 14 HG LEU 14 -5.456 1.206 4.222 73 HD11 LEU 14 1HD1 LEU 14 -4.455 3.469 2.500 74 HD12 LEU 14 2HD1 LEU 14 -5.474 2.135 1.962 75 HD13 LEU 14 3HD1 LEU 14 -3.830 1.820 2.517 76 HD21 LEU 14 3HD2 LEU 14 -3.395 3.236 4.607 77 HD22 LEU 14 1HD2 LEU 14 -3.692 1.737 5.487 78 HD23 LEU 14 2HD2 LEU 14 -4.596 3.195 5.899 79 H GLN 15 H GLN 15 -7.761 0.147 2.812 80 HA GLN 15 HA GLN 15 -7.179 -1.462 5.130 81 HB2 GLN 15 1HB GLN 15 -9.895 -1.466 3.852 82 HB3 GLN 15 2HB GLN 15 -9.261 -2.924 4.603 83 HG2 GLN 15 1HG GLN 15 -8.885 -1.493 6.675 84 HG3 GLN 15 2HG GLN 15 -9.909 -0.295 5.886 85 HE21 GLN 15 1HE2 GLN 15 -11.926 -0.365 6.529 86 HE22 GLN 15 2HE2 GLN 15 -12.800 -1.775 7.012 87 H ALA 16 H ALA 16 -6.346 -3.457 4.607 88 HA ALA 16 HA ALA 16 -6.299 -4.180 1.755 89 HB1 ALA 16 3HB ALA 16 -4.057 -4.188 1.610 90 HB2 ALA 16 1HB ALA 16 -4.145 -3.084 2.983 91 HB3 ALA 16 2HB ALA 16 -3.850 -4.803 3.250 92 H VAL 17 H VAL 17 -6.565 -6.302 1.314 93 HA VAL 17 HA VAL 17 -6.158 -8.314 3.362 94 HB VAL 17 HB VAL 17 -8.516 -9.239 2.875 95 HG11 VAL 17 1HG1 VAL 17 -9.397 -8.158 4.788 96 HG12 VAL 17 2HG1 VAL 17 -7.650 -8.237 5.026 97 HG13 VAL 17 3HG1 VAL 17 -8.405 -6.724 4.523 98 HG21 VAL 17 3HG2 VAL 17 -9.874 -6.820 2.688 99 HG22 VAL 17 1HG2 VAL 17 -8.600 -6.712 1.473 100 HG23 VAL 17 2HG2 VAL 17 -9.741 -8.057 1.438 101 H SER 18 H SER 18 -5.675 -10.280 2.522 102 HA SER 18 HA SER 18 -5.443 -10.440 -0.377 103 HB2 SER 18 1HB SER 18 -3.490 -11.029 1.005 104 HB3 SER 18 2HB SER 18 -4.422 -12.316 1.771 105 HG SER 18 HG SER 18 -3.469 -12.140 -0.872 106 H THR 19 H THR 19 -6.709 -11.644 -1.639 107 HA THR 19 HA THR 19 -8.668 -13.414 -0.334 108 HB THR 19 HB THR 19 -10.185 -13.013 -2.097 109 HG1 THR 19 1HG THR 19 -9.561 -12.479 -4.066 110 HG21 THR 19 3HG2 THR 19 -10.318 -10.527 -2.228 111 HG22 THR 19 1HG2 THR 19 -8.734 -10.443 -1.459 112 HG23 THR 19 2HG2 THR 19 -10.102 -11.138 -0.588 113 H SER 20 H SER 20 -5.907 -14.123 -1.102 114 HA SER 20 HA SER 20 -6.429 -16.653 -2.240 115 HB2 SER 20 1HB SER 20 -5.842 -14.494 -4.106 116 HB3 SER 20 2HB SER 20 -4.672 -15.808 -4.225 117 HG SER 20 HG SER 20 -6.569 -16.067 -5.560 118 HA PRO 21 HA PRO 21 -2.538 -18.001 -0.735 119 HB2 PRO 21 1HB PRO 21 -1.493 -18.281 -3.515 120 HB3 PRO 21 2HB PRO 21 -1.504 -19.455 -2.194 121 HG2 PRO 21 1HG PRO 21 -3.244 -19.622 -4.225 122 HG3 PRO 21 2HG PRO 21 -3.701 -20.058 -2.568 123 HD2 PRO 21 1HD PRO 21 -4.439 -17.691 -4.175 124 HD3 PRO 21 2HD PRO 21 -5.330 -18.508 -2.875 125 H THR 22 H THR 22 -2.025 -15.997 -3.642 126 HA THR 22 HA THR 22 -0.148 -14.356 -2.089 127 HB THR 22 HB THR 22 1.445 -14.248 -3.867 128 HG1 THR 22 1HG THR 22 -0.620 -14.938 -5.390 129 HG21 THR 22 3HG2 THR 22 0.674 -17.156 -3.676 130 HG22 THR 22 1HG2 THR 22 1.459 -16.277 -2.364 131 HG23 THR 22 2HG2 THR 22 2.284 -16.475 -3.911 132 H SER 23 H SER 23 -1.665 -12.712 -1.900 133 HA SER 23 HA SER 23 -1.817 -10.909 -4.102 134 HB2 SER 23 1HB SER 23 -4.353 -10.867 -4.163 135 HB3 SER 23 2HB SER 23 -3.601 -12.282 -4.900 136 HG SER 23 HG SER 23 -3.999 -13.384 -2.899 137 H ILE 24 H ILE 24 -3.317 -9.004 -3.510 138 HA ILE 24 HA ILE 24 -3.870 -8.604 -0.726 139 HB ILE 24 HB ILE 24 -1.563 -7.101 -1.965 140 HG12 ILE 24 1HG1 ILE 24 -1.787 -9.067 0.312 141 HG13 ILE 24 2HG1 ILE 24 -0.795 -9.196 -1.136 142 HG21 ILE 24 1HG2 ILE 24 -2.733 -5.477 -0.755 143 HG22 ILE 24 2HG2 ILE 24 -3.151 -6.608 0.531 144 HG23 ILE 24 3HG2 ILE 24 -1.490 -6.041 0.362 145 HD11 ILE 24 3HD1 ILE 24 -0.385 -7.449 1.261 146 HD12 ILE 24 1HD1 ILE 24 0.694 -8.666 0.580 147 HD13 ILE 24 2HD1 ILE 24 0.433 -7.143 -0.271 148 H LEU 25 H LEU 25 -5.843 -7.775 -1.069 149 HA LEU 25 HA LEU 25 -6.299 -5.842 -3.185 150 HB2 LEU 25 1HB LEU 25 -7.882 -7.726 -2.550 151 HB3 LEU 25 2HB LEU 25 -8.280 -6.770 -1.124 152 HG LEU 25 HG LEU 25 -9.088 -4.962 -2.593 153 HD11 LEU 25 1HD1 LEU 25 -8.661 -4.906 -4.768 154 HD12 LEU 25 2HD1 LEU 25 -9.358 -6.509 -4.998 155 HD13 LEU 25 3HD1 LEU 25 -7.658 -6.342 -4.561 156 HD21 LEU 25 3HD2 LEU 25 -10.907 -6.153 -1.957 157 HD22 LEU 25 1HD2 LEU 25 -10.248 -7.682 -2.539 158 HD23 LEU 25 2HD2 LEU 25 -10.956 -6.536 -3.678 159 H ILE 26 H ILE 26 -5.537 -3.861 -2.730 160 HA ILE 26 HA ILE 26 -5.971 -2.743 -0.057 161 HB ILE 26 HB ILE 26 -4.390 -1.485 -2.293 162 HG12 ILE 26 1HG1 ILE 26 -3.075 -2.968 -0.055 163 HG13 ILE 26 2HG1 ILE 26 -3.703 -3.886 -1.419 164 HG21 ILE 26 1HG2 ILE 26 -4.570 -1.045 0.674 165 HG22 ILE 26 2HG2 ILE 26 -3.236 -0.425 -0.297 166 HG23 ILE 26 3HG2 ILE 26 -4.886 0.104 -0.626 167 HD11 ILE 26 3HD1 ILE 26 -1.548 -3.532 -2.079 168 HD12 ILE 26 1HD1 ILE 26 -2.346 -2.144 -2.819 169 HD13 ILE 26 2HD1 ILE 26 -1.453 -1.948 -1.310 170 H THR 27 H THR 27 -7.873 -1.763 0.171 171 HA THR 27 HA THR 27 -8.920 -0.164 -2.068 172 HB THR 27 HB THR 27 -11.117 -0.317 -0.964 173 HG1 THR 27 1HG THR 27 -10.211 -0.638 1.196 174 HG21 THR 27 3HG2 THR 27 -10.506 -3.156 -0.977 175 HG22 THR 27 1HG2 THR 27 -9.787 -2.317 -2.351 176 HG23 THR 27 2HG2 THR 27 -11.525 -2.218 -2.069 177 H TRP 28 H TRP 28 -8.048 1.829 -1.788 178 HA TRP 28 HA TRP 28 -8.460 3.118 0.830 179 HB2 TRP 28 1HB TRP 28 -6.562 4.537 0.362 180 HB3 TRP 28 2HB TRP 28 -6.078 2.859 0.136 181 HD1 TRP 28 HD TRP 28 -6.221 6.150 -1.637 182 HE1 TRP 28 1HE TRP 28 -5.384 5.878 -4.056 183 HE3 TRP 28 3HE TRP 28 -6.119 1.044 -1.891 184 HZ2 TRP 28 2HZ TRP 28 -4.763 3.777 -5.836 185 HZ3 TRP 28 3HZ TRP 28 -5.391 -0.017 -3.988 186 HH2 TRP 28 HH TRP 28 -4.728 1.322 -5.919 187 H GLU 29 H GLU 29 -8.954 5.422 0.785 188 HA GLU 29 HA GLU 29 -10.316 6.260 -1.687 189 HB2 GLU 29 1HB GLU 29 -11.354 6.087 1.088 190 HB3 GLU 29 2HB GLU 29 -11.824 7.500 0.155 191 HG2 GLU 29 1HG GLU 29 -12.397 5.681 -1.663 192 HG3 GLU 29 2HG GLU 29 -12.518 4.643 -0.244 193 HA PRO 30 HA PRO 30 -8.217 10.099 -1.377 194 HB2 PRO 30 1HB PRO 30 -10.101 11.852 -2.242 195 HB3 PRO 30 2HB PRO 30 -9.276 10.719 -3.319 196 HG2 PRO 30 1HG PRO 30 -11.986 10.508 -2.064 197 HG3 PRO 30 2HG PRO 30 -11.488 10.125 -3.723 198 HD2 PRO 30 1HD PRO 30 -11.832 8.221 -1.828 199 HD3 PRO 30 2HD PRO 30 -10.628 8.072 -3.124 200 HA PRO 31 HA PRO 31 -9.304 11.631 2.663 201 HB2 PRO 31 1HB PRO 31 -7.281 13.431 2.851 202 HB3 PRO 31 2HB PRO 31 -7.044 11.694 3.073 203 HG2 PRO 31 1HG PRO 31 -6.520 13.383 0.658 204 HG3 PRO 31 2HG PRO 31 -5.524 12.094 1.359 205 HD2 PRO 31 1HD PRO 31 -7.111 11.699 -0.800 206 HD3 PRO 31 2HD PRO 31 -6.783 10.424 0.391 207 H ALA 32 H ALA 32 -10.437 13.349 3.455 208 HA ALA 32 HA ALA 32 -11.350 15.317 1.535 209 HB1 ALA 32 3HB ALA 32 -13.224 15.146 2.708 210 HB2 ALA 32 1HB ALA 32 -12.415 14.093 3.868 211 HB3 ALA 32 2HB ALA 32 -12.410 15.840 4.110 212 H TYR 33 H TYR 33 -9.706 15.322 4.688 213 HA TYR 33 HA TYR 33 -9.267 18.175 4.571 214 HB2 TYR 33 1HB TYR 33 -7.829 17.588 6.665 215 HB3 TYR 33 2HB TYR 33 -9.583 17.474 6.764 216 HD1 TYR 33 2HD TYR 33 -6.542 15.417 6.139 217 HD2 TYR 33 1HD TYR 33 -10.587 15.487 7.457 218 HE1 TYR 33 2HE TYR 33 -6.343 13.073 6.854 219 HE2 TYR 33 1HE TYR 33 -10.399 13.142 8.177 220 HH TYR 33 HH TYR 33 -8.923 11.465 8.619 221 H ALA 34 H ALA 34 -8.173 17.059 2.339 222 HA ALA 34 HA ALA 34 -5.299 16.807 2.836 223 HB1 ALA 34 3HB ALA 34 -6.498 16.564 0.117 224 HB2 ALA 34 1HB ALA 34 -5.106 15.735 0.814 225 HB3 ALA 34 2HB ALA 34 -6.740 15.267 1.288 226 H ASN 35 H ASN 35 -3.821 18.283 2.172 227 HA ASN 35 HA ASN 35 -4.707 20.931 1.619 228 HB2 ASN 35 1HB ASN 35 -2.519 20.036 2.801 229 HB3 ASN 35 2HB ASN 35 -1.869 20.107 1.166 230 HD21 ASN 35 1HD2 ASN 35 -1.331 22.032 0.307 231 HD22 ASN 35 2HD2 ASN 35 -1.499 23.545 1.125 232 H GLY 36 H GLY 36 -5.949 20.524 -0.331 233 HA2 GLY 36 1HA GLY 36 -5.978 21.188 -2.596 234 HA3 GLY 36 2HA GLY 36 -4.263 20.818 -2.703 235 HA PRO 37 HA PRO 37 -6.569 17.433 -4.850 236 HB2 PRO 37 1HB PRO 37 -4.889 17.331 -6.980 237 HB3 PRO 37 2HB PRO 37 -6.261 18.442 -6.891 238 HG2 PRO 37 1HG PRO 37 -3.364 18.961 -6.344 239 HG3 PRO 37 2HG PRO 37 -4.532 19.959 -7.230 240 HD2 PRO 37 1HD PRO 37 -3.826 20.472 -4.666 241 HD3 PRO 37 2HD PRO 37 -5.447 20.825 -5.300 242 H VAL 38 H VAL 38 -5.455 15.404 -5.902 243 HA VAL 38 HA VAL 38 -3.071 14.669 -4.344 244 HB VAL 38 HB VAL 38 -5.554 12.981 -4.679 245 HG11 VAL 38 1HG1 VAL 38 -4.207 11.433 -3.120 246 HG12 VAL 38 2HG1 VAL 38 -3.820 11.436 -4.842 247 HG13 VAL 38 3HG1 VAL 38 -2.799 12.318 -3.705 248 HG21 VAL 38 3HG2 VAL 38 -4.571 14.741 -2.580 249 HG22 VAL 38 1HG2 VAL 38 -6.171 14.034 -2.808 250 HG23 VAL 38 2HG2 VAL 38 -4.904 13.108 -2.003 251 H GLN 39 H GLN 39 -1.750 14.844 -6.151 252 HA GLN 39 HA GLN 39 -2.066 14.122 -8.716 253 HB2 GLN 39 1HB GLN 39 0.304 13.676 -6.915 254 HB3 GLN 39 2HB GLN 39 0.367 13.295 -8.631 255 HG2 GLN 39 1HG GLN 39 -0.220 15.634 -9.141 256 HG3 GLN 39 2HG GLN 39 -0.178 15.993 -7.415 257 HE21 GLN 39 1HE2 GLN 39 1.496 16.492 -10.056 258 HE22 GLN 39 2HE2 GLN 39 3.116 16.407 -9.463 259 H GLY 40 H GLY 40 -1.419 11.857 -6.065 260 HA2 GLY 40 1HA GLY 40 -2.894 9.760 -7.207 261 HA3 GLY 40 2HA GLY 40 -1.202 9.528 -7.623 262 H TYR 41 H TYR 41 -0.829 7.722 -6.406 263 HA TYR 41 HA TYR 41 -0.536 8.162 -3.555 264 HB2 TYR 41 1HB TYR 41 -2.137 5.791 -4.523 265 HB3 TYR 41 2HB TYR 41 -1.835 6.269 -2.856 266 HD1 TYR 41 1HD TYR 41 -3.683 7.120 -5.933 267 HD2 TYR 41 2HD TYR 41 -3.168 7.941 -1.790 268 HE1 TYR 41 1HE TYR 41 -5.765 8.429 -5.940 269 HE2 TYR 41 2HE TYR 41 -5.249 9.251 -1.785 270 HH TYR 41 HH TYR 41 -6.909 10.075 -4.718 271 H ARG 42 H ARG 42 1.213 7.144 -2.767 272 HA ARG 42 HA ARG 42 2.618 5.298 -4.569 273 HB2 ARG 42 1HB ARG 42 3.498 7.310 -2.563 274 HB3 ARG 42 2HB ARG 42 4.496 5.874 -2.756 275 HG2 ARG 42 1HG ARG 42 4.881 6.353 -5.055 276 HG3 ARG 42 2HG ARG 42 3.677 7.644 -5.045 277 HD2 ARG 42 1HD ARG 42 5.071 8.879 -3.420 278 HD3 ARG 42 2HD ARG 42 6.289 7.609 -3.537 279 HE ARG 42 HE ARG 42 5.549 8.843 -6.046 280 HH11 ARG 42 1HH1 ARG 42 7.714 8.854 -3.320 281 HH12 ARG 42 2HH1 ARG 42 8.971 9.706 -4.155 282 HH21 ARG 42 1HH2 ARG 42 7.196 9.964 -7.156 283 HH22 ARG 42 2HH2 ARG 42 8.674 10.338 -6.337 284 H LEU 43 H LEU 43 3.132 3.262 -3.959 285 HA LEU 43 HA LEU 43 2.338 2.432 -1.245 286 HB2 LEU 43 1HB LEU 43 0.770 1.458 -2.688 287 HB3 LEU 43 2HB LEU 43 1.995 1.071 -3.895 288 HG LEU 43 HG LEU 43 2.919 -0.574 -2.163 289 HD11 LEU 43 1HD1 LEU 43 1.255 -1.412 -0.558 290 HD12 LEU 43 2HD1 LEU 43 0.184 -0.081 -0.994 291 HD13 LEU 43 3HD1 LEU 43 1.734 0.252 -0.222 292 HD21 LEU 43 3HD2 LEU 43 0.190 -1.392 -3.029 293 HD22 LEU 43 1HD2 LEU 43 1.719 -2.265 -3.133 294 HD23 LEU 43 2HD2 LEU 43 1.375 -0.952 -4.259 295 H PHE 44 H PHE 44 3.704 1.129 -0.105 296 HA PHE 44 HA PHE 44 6.197 0.298 -1.426 297 HB2 PHE 44 1HB PHE 44 6.017 1.472 1.355 298 HB3 PHE 44 2HB PHE 44 7.483 0.963 0.525 299 HD1 PHE 44 2HD PHE 44 8.275 2.239 -1.457 300 HD2 PHE 44 1HD PHE 44 5.072 3.602 0.992 301 HE1 PHE 44 2HE PHE 44 8.537 4.504 -2.381 302 HE2 PHE 44 1HE PHE 44 5.328 5.869 0.072 303 HZ PHE 44 HZ PHE 44 7.063 6.323 -1.616 304 H CYS 45 H CYS 45 6.351 -1.834 -1.342 305 HA CYS 45 HA CYS 45 5.124 -3.260 0.916 306 HB2 CYS 45 1HB CYS 45 4.243 -3.968 -1.213 307 HB3 CYS 45 2HB CYS 45 5.862 -4.193 -1.862 308 HG CYS 45 HG CYS 45 6.458 -6.356 -0.165 309 H THR 46 H THR 46 6.365 -4.253 2.364 310 HA THR 46 HA THR 46 9.170 -4.816 1.663 311 HB THR 46 HB THR 46 8.230 -3.881 4.379 312 HG1 THR 46 1HG THR 46 9.406 -2.480 2.204 313 HG21 THR 46 3HG2 THR 46 10.194 -5.177 4.630 314 HG22 THR 46 1HG2 THR 46 10.726 -3.496 4.650 315 HG23 THR 46 2HG2 THR 46 10.935 -4.469 3.194 316 H GLU 47 H GLU 47 9.354 -6.960 1.574 317 HA GLU 47 HA GLU 47 7.647 -8.773 2.907 318 HB2 GLU 47 1HB GLU 47 8.956 -9.238 0.811 319 HB3 GLU 47 2HB GLU 47 10.399 -9.356 1.809 320 HG2 GLU 47 1HG GLU 47 9.255 -11.179 3.088 321 HG3 GLU 47 2HG GLU 47 7.977 -11.134 1.875 322 H VAL 48 H VAL 48 7.593 -8.571 5.095 323 HA VAL 48 HA VAL 48 9.579 -7.968 6.866 324 HB VAL 48 HB VAL 48 7.398 -10.011 7.316 325 HG11 VAL 48 1HG1 VAL 48 8.598 -10.332 9.205 326 HG12 VAL 48 2HG1 VAL 48 9.417 -8.773 9.081 327 HG13 VAL 48 3HG1 VAL 48 7.772 -8.859 9.712 328 HG21 VAL 48 3HG2 VAL 48 6.670 -7.742 6.511 329 HG22 VAL 48 1HG2 VAL 48 6.030 -8.223 8.082 330 HG23 VAL 48 2HG2 VAL 48 7.365 -7.074 7.988 331 H SER 49 H SER 49 8.934 -11.088 5.366 332 HA SER 49 HA SER 49 10.530 -12.749 6.887 333 HB2 SER 49 1HB SER 49 9.100 -13.620 5.126 334 HB3 SER 49 2HB SER 49 10.067 -12.807 3.895 335 HG SER 49 HG SER 49 11.362 -14.448 3.922 336 H THR 50 H THR 50 11.517 -11.086 3.888 337 HA THR 50 HA THR 50 14.317 -11.551 4.552 338 HB THR 50 HB THR 50 14.774 -10.544 2.319 339 HG1 THR 50 1HG THR 50 13.213 -9.426 1.448 340 HG21 THR 50 3HG2 THR 50 13.639 -12.388 1.000 341 HG22 THR 50 1HG2 THR 50 12.859 -12.861 2.509 342 HG23 THR 50 2HG2 THR 50 14.617 -12.908 2.372 343 H GLY 51 H GLY 51 12.258 -8.768 3.674 344 HA2 GLY 51 1HA GLY 51 12.336 -6.789 5.107 345 HA3 GLY 51 2HA GLY 51 14.057 -7.082 5.300 346 H LYS 52 H LYS 52 12.697 -7.544 2.170 347 HA LYS 52 HA LYS 52 14.174 -5.209 1.213 348 HB2 LYS 52 1HB LYS 52 12.987 -7.583 -0.230 349 HB3 LYS 52 2HB LYS 52 13.761 -6.233 -1.048 350 HG2 LYS 52 1HG LYS 52 15.784 -6.771 0.457 351 HG3 LYS 52 2HG LYS 52 14.983 -8.324 0.706 352 HD2 LYS 52 1HD LYS 52 15.351 -7.289 -2.071 353 HD3 LYS 52 2HD LYS 52 16.719 -8.022 -1.231 354 HE2 LYS 52 1HE LYS 52 15.253 -10.009 -0.785 355 HE3 LYS 52 2HE LYS 52 14.052 -9.281 -1.851 356 HZ1 LYS 52 3HZ LYS 52 16.647 -9.386 -3.047 357 HZ2 LYS 52 1HZ LYS 52 15.165 -9.947 -3.639 358 HZ3 LYS 52 2HZ LYS 52 16.090 -10.923 -2.613 359 H GLU 53 H GLU 53 13.155 -3.379 0.760 360 HA GLU 53 HA GLU 53 10.249 -3.362 0.568 361 HB2 GLU 53 1HB GLU 53 11.245 -1.720 2.038 362 HB3 GLU 53 2HB GLU 53 12.272 -1.126 0.741 363 HG2 GLU 53 1HG GLU 53 9.310 -1.051 0.421 364 HG3 GLU 53 2HG GLU 53 10.115 0.163 1.413 365 H GLN 54 H GLN 54 9.123 -2.323 -1.146 366 HA GLN 54 HA GLN 54 10.629 -1.811 -3.597 367 HB2 GLN 54 1HB GLN 54 9.207 -3.238 -4.940 368 HB3 GLN 54 2HB GLN 54 9.957 -4.192 -3.667 369 HG2 GLN 54 1HG GLN 54 7.842 -3.928 -2.352 370 HG3 GLN 54 2HG GLN 54 7.121 -3.208 -3.791 371 HE21 GLN 54 1HE2 GLN 54 5.606 -4.982 -3.621 372 HE22 GLN 54 2HE2 GLN 54 6.021 -6.519 -4.292 373 H ASN 55 H ASN 55 9.997 0.070 -4.398 374 HA ASN 55 HA ASN 55 7.533 1.289 -3.506 375 HB2 ASN 55 1HB ASN 55 8.431 3.120 -5.188 376 HB3 ASN 55 2HB ASN 55 9.176 2.903 -3.607 377 HD21 ASN 55 1HD2 ASN 55 11.086 1.519 -3.514 378 HD22 ASN 55 2HD2 ASN 55 12.165 1.504 -4.863 379 H ILE 56 H ILE 56 5.691 1.516 -4.635 380 HA ILE 56 HA ILE 56 5.690 0.826 -7.490 381 HB ILE 56 HB ILE 56 3.700 -0.228 -5.477 382 HG12 ILE 56 1HG1 ILE 56 5.663 -1.760 -7.191 383 HG13 ILE 56 2HG1 ILE 56 5.964 -1.333 -5.510 384 HG21 ILE 56 1HG2 ILE 56 2.854 0.410 -7.790 385 HG22 ILE 56 2HG2 ILE 56 3.847 -0.914 -8.397 386 HG23 ILE 56 3HG2 ILE 56 2.544 -1.242 -7.254 387 HD11 ILE 56 3HD1 ILE 56 3.446 -2.577 -5.584 388 HD12 ILE 56 1HD1 ILE 56 4.529 -3.551 -6.578 389 HD13 ILE 56 2HD1 ILE 56 4.949 -3.196 -4.901 390 H GLU 57 H GLU 57 4.207 1.916 -8.743 391 HA GLU 57 HA GLU 57 2.710 4.050 -7.368 392 HB2 GLU 57 1HB GLU 57 4.323 4.014 -9.862 393 HB3 GLU 57 2HB GLU 57 2.865 4.997 -9.872 394 HG2 GLU 57 1HG GLU 57 3.856 5.866 -7.588 395 HG3 GLU 57 2HG GLU 57 5.368 5.328 -8.316 396 H VAL 58 H VAL 58 0.646 3.438 -7.229 397 HA VAL 58 HA VAL 58 -0.609 2.203 -9.593 398 HB VAL 58 HB VAL 58 -2.275 1.239 -8.109 399 HG11 VAL 58 1HG1 VAL 58 0.615 0.732 -7.554 400 HG12 VAL 58 2HG1 VAL 58 -0.617 -0.141 -6.641 401 HG13 VAL 58 3HG1 VAL 58 -0.560 -0.275 -8.399 402 HG21 VAL 58 3HG2 VAL 58 -2.705 2.294 -6.193 403 HG22 VAL 58 1HG2 VAL 58 -1.257 1.524 -5.545 404 HG23 VAL 58 2HG2 VAL 58 -1.161 3.145 -6.232 405 H ASP 59 H ASP 59 -2.856 2.774 -10.004 406 HA ASP 59 HA ASP 59 -3.640 5.402 -8.952 407 HB2 ASP 59 1HB ASP 59 -2.530 5.595 -11.214 408 HB3 ASP 59 2HB ASP 59 -3.868 4.656 -11.870 409 H GLY 60 H GLY 60 -5.702 5.498 -8.318 410 HA2 GLY 60 1HA GLY 60 -8.046 4.940 -9.115 411 HA3 GLY 60 2HA GLY 60 -7.473 3.279 -9.129 412 H LEU 61 H LEU 61 -9.398 3.062 -7.685 413 HA LEU 61 HA LEU 61 -8.707 3.758 -4.907 414 HB2 LEU 61 1HB LEU 61 -11.405 3.256 -6.152 415 HB3 LEU 61 2HB LEU 61 -11.127 3.515 -4.431 416 HG LEU 61 HG LEU 61 -10.298 5.591 -6.423 417 HD11 LEU 61 1HD1 LEU 61 -12.703 6.489 -5.524 418 HD12 LEU 61 2HD1 LEU 61 -13.030 4.773 -5.757 419 HD13 LEU 61 3HD1 LEU 61 -12.428 5.745 -7.099 420 HD21 LEU 61 3HD2 LEU 61 -11.462 6.288 -3.818 421 HD22 LEU 61 1HD2 LEU 61 -10.023 6.911 -4.626 422 HD23 LEU 61 2HD2 LEU 61 -9.947 5.387 -3.742 423 H SER 62 H SER 62 -7.946 1.388 -6.609 424 HA SER 62 HA SER 62 -8.110 -0.584 -4.609 425 HB2 SER 62 1HB SER 62 -9.543 -2.230 -5.868 426 HB3 SER 62 2HB SER 62 -10.423 -0.851 -5.208 427 HG SER 62 HG SER 62 -10.016 -1.594 -7.818 428 H TYR 63 H TYR 63 -6.515 -2.019 -4.914 429 HA TYR 63 HA TYR 63 -5.554 -2.561 -7.621 430 HB2 TYR 63 1HB TYR 63 -4.204 -0.669 -6.796 431 HB3 TYR 63 2HB TYR 63 -3.747 -1.615 -5.385 432 HD1 TYR 63 1HD TYR 63 -3.395 -1.345 -9.051 433 HD2 TYR 63 2HD TYR 63 -2.011 -3.241 -5.502 434 HE1 TYR 63 1HE TYR 63 -1.477 -2.256 -10.293 435 HE2 TYR 63 2HE TYR 63 -0.088 -4.155 -6.733 436 HH TYR 63 HH TYR 63 0.681 -3.146 -9.954 437 H LYS 64 H LYS 64 -5.115 -4.649 -7.898 438 HA LYS 64 HA LYS 64 -5.047 -6.379 -5.537 439 HB2 LYS 64 1HB LYS 64 -6.640 -6.747 -7.515 440 HB3 LYS 64 2HB LYS 64 -5.222 -7.291 -8.402 441 HG2 LYS 64 1HG LYS 64 -4.866 -9.081 -6.834 442 HG3 LYS 64 2HG LYS 64 -6.180 -8.492 -5.812 443 HD2 LYS 64 1HD LYS 64 -7.684 -8.811 -7.846 444 HD3 LYS 64 2HD LYS 64 -6.349 -9.727 -8.550 445 HE2 LYS 64 1HE LYS 64 -6.409 -11.042 -6.316 446 HE3 LYS 64 2HE LYS 64 -8.025 -10.359 -6.150 447 HZ1 LYS 64 3HZ LYS 64 -7.410 -11.587 -8.712 448 HZ2 LYS 64 1HZ LYS 64 -8.834 -11.637 -7.799 449 HZ3 LYS 64 2HZ LYS 64 -7.536 -12.644 -7.397 450 H LEU 65 H LEU 65 -3.033 -6.604 -4.772 451 HA LEU 65 HA LEU 65 -0.706 -6.523 -6.420 452 HB2 LEU 65 1HB LEU 65 -1.098 -6.046 -3.838 453 HB3 LEU 65 2HB LEU 65 -0.613 -7.735 -3.711 454 HG LEU 65 HG LEU 65 1.427 -6.934 -5.156 455 HD11 LEU 65 1HD1 LEU 65 1.432 -4.755 -5.591 456 HD12 LEU 65 2HD1 LEU 65 1.733 -4.493 -3.873 457 HD13 LEU 65 3HD1 LEU 65 0.082 -4.462 -4.494 458 HD21 LEU 65 3HD2 LEU 65 0.907 -7.233 -2.367 459 HD22 LEU 65 1HD2 LEU 65 2.065 -5.923 -2.599 460 HD23 LEU 65 2HD2 LEU 65 2.403 -7.525 -3.255 461 H GLU 66 H GLU 66 0.718 -8.195 -6.950 462 HA GLU 66 HA GLU 66 -0.100 -10.939 -6.405 463 HB2 GLU 66 1HB GLU 66 0.426 -10.048 -9.238 464 HB3 GLU 66 2HB GLU 66 -0.154 -11.615 -8.694 465 HG2 GLU 66 1HG GLU 66 -2.234 -10.535 -7.918 466 HG3 GLU 66 2HG GLU 66 -1.654 -9.009 -8.583 467 H GLY 67 H GLY 67 1.560 -12.520 -7.028 468 HA2 GLY 67 1HA GLY 67 3.764 -13.160 -7.491 469 HA3 GLY 67 2HA GLY 67 4.208 -11.464 -7.612 470 H LEU 68 H LEU 68 2.464 -12.850 -4.900 471 HA LEU 68 HA LEU 68 4.751 -12.176 -3.184 472 HB2 LEU 68 1HB LEU 68 1.863 -12.612 -2.442 473 HB3 LEU 68 2HB LEU 68 3.149 -12.102 -1.350 474 HG LEU 68 HG LEU 68 2.608 -10.396 -3.719 475 HD11 LEU 68 1HD1 LEU 68 0.371 -10.629 -3.159 476 HD12 LEU 68 2HD1 LEU 68 0.865 -9.221 -2.219 477 HD13 LEU 68 3HD1 LEU 68 0.714 -10.794 -1.436 478 HD21 LEU 68 3HD2 LEU 68 3.703 -8.854 -2.519 479 HD22 LEU 68 1HD2 LEU 68 4.226 -10.217 -1.529 480 HD23 LEU 68 2HD2 LEU 68 2.835 -9.252 -1.035 481 H LYS 69 H LYS 69 4.358 -13.596 -0.970 482 HA LYS 69 HA LYS 69 4.864 -16.330 -1.861 483 HB2 LYS 69 1HB LYS 69 5.473 -14.777 0.627 484 HB3 LYS 69 2HB LYS 69 5.464 -16.535 0.684 485 HG2 LYS 69 1HG LYS 69 7.032 -16.282 -1.411 486 HG3 LYS 69 2HG LYS 69 7.329 -14.689 -0.711 487 HD2 LYS 69 1HD LYS 69 7.531 -17.207 0.918 488 HD3 LYS 69 2HD LYS 69 8.893 -16.590 -0.021 489 HE2 LYS 69 1HE LYS 69 8.961 -14.581 1.233 490 HE3 LYS 69 2HE LYS 69 7.400 -14.914 1.983 491 HZ1 LYS 69 3HZ LYS 69 9.693 -16.728 2.386 492 HZ2 LYS 69 1HZ LYS 69 8.311 -16.537 3.343 493 HZ3 LYS 69 2HZ LYS 69 9.507 -15.341 3.337 494 H LYS 70 H LYS 70 3.694 -18.093 -1.215 495 HA LYS 70 HA LYS 70 1.048 -18.122 -0.958 496 HB2 LYS 70 1HB LYS 70 2.738 -20.087 -0.877 497 HB3 LYS 70 2HB LYS 70 2.608 -19.927 0.869 498 HG2 LYS 70 1HG LYS 70 0.471 -20.711 0.924 499 HG3 LYS 70 2HG LYS 70 0.095 -20.122 -0.697 500 HD2 LYS 70 1HD LYS 70 1.989 -22.404 -0.174 501 HD3 LYS 70 2HD LYS 70 0.259 -22.631 -0.443 502 HE2 LYS 70 1HE LYS 70 0.652 -21.242 -2.587 503 HE3 LYS 70 2HE LYS 70 2.353 -21.631 -2.339 504 HZ1 LYS 70 3HZ LYS 70 0.839 -23.978 -2.068 505 HZ2 LYS 70 1HZ LYS 70 2.007 -23.607 -3.236 506 HZ3 LYS 70 2HZ LYS 70 0.383 -23.219 -3.510 507 H PHE 71 H PHE 71 2.922 -18.517 2.044 508 HA PHE 71 HA PHE 71 1.009 -16.727 3.383 509 HB2 PHE 71 1HB PHE 71 0.520 -19.135 3.864 510 HB3 PHE 71 2HB PHE 71 2.121 -19.270 4.582 511 HD1 PHE 71 1HD PHE 71 2.651 -17.583 6.492 512 HD2 PHE 71 2HD PHE 71 -1.278 -18.584 5.194 513 HE1 PHE 71 1HE PHE 71 1.748 -16.823 8.651 514 HE2 PHE 71 2HE PHE 71 -2.187 -17.824 7.351 515 HZ PHE 71 HZ PHE 71 -0.674 -16.942 9.082 516 H THR 72 H THR 72 2.312 -14.982 3.620 517 HA THR 72 HA THR 72 4.508 -15.230 5.503 518 HB THR 72 HB THR 72 4.928 -14.086 2.736 519 HG1 THR 72 1HG THR 72 5.290 -16.253 2.651 520 HG21 THR 72 3HG2 THR 72 6.669 -14.012 5.197 521 HG22 THR 72 1HG2 THR 72 6.052 -12.644 4.272 522 HG23 THR 72 2HG2 THR 72 7.272 -13.706 3.568 523 H GLU 73 H GLU 73 4.288 -13.660 6.947 524 HA GLU 73 HA GLU 73 2.400 -11.638 6.838 525 HB2 GLU 73 1HB GLU 73 3.681 -12.515 8.863 526 HB3 GLU 73 2HB GLU 73 4.970 -11.416 8.396 527 HG2 GLU 73 1HG GLU 73 3.804 -9.560 8.999 528 HG3 GLU 73 2HG GLU 73 2.239 -10.299 8.670 529 H TYR 74 H TYR 74 2.319 -10.206 5.214 530 HA TYR 74 HA TYR 74 4.792 -8.859 4.386 531 HB2 TYR 74 1HB TYR 74 2.140 -9.315 3.058 532 HB3 TYR 74 2HB TYR 74 3.182 -8.003 2.519 533 HD1 TYR 74 2HD TYR 74 5.525 -8.573 1.734 534 HD2 TYR 74 1HD TYR 74 2.532 -11.529 2.369 535 HE1 TYR 74 2HE TYR 74 6.795 -10.150 0.338 536 HE2 TYR 74 1HE TYR 74 3.794 -13.115 0.975 537 HH TYR 74 HH TYR 74 6.939 -12.772 0.190 538 H SER 75 H SER 75 5.057 -6.681 4.545 539 HA SER 75 HA SER 75 2.898 -5.179 5.877 540 HB2 SER 75 1HB SER 75 5.819 -5.334 6.437 541 HB3 SER 75 2HB SER 75 5.033 -3.770 6.648 542 HG SER 75 HG SER 75 4.672 -4.666 8.557 543 H LEU 76 H LEU 76 2.093 -3.597 4.684 544 HA LEU 76 HA LEU 76 3.768 -2.437 2.560 545 HB2 LEU 76 1HB LEU 76 0.780 -2.234 2.696 546 HB3 LEU 76 2HB LEU 76 1.836 -2.024 1.300 547 HG LEU 76 HG LEU 76 1.210 -4.641 2.667 548 HD11 LEU 76 1HD1 LEU 76 0.228 -5.028 0.287 549 HD12 LEU 76 2HD1 LEU 76 0.139 -3.267 0.244 550 HD13 LEU 76 3HD1 LEU 76 -0.716 -4.163 1.500 551 HD21 LEU 76 3HD2 LEU 76 2.604 -5.707 1.166 552 HD22 LEU 76 1HD2 LEU 76 3.517 -4.244 1.536 553 HD23 LEU 76 2HD2 LEU 76 2.597 -4.353 0.035 554 H ARG 77 H ARG 77 3.030 -0.125 1.984 555 HA ARG 77 HA ARG 77 2.210 1.427 4.309 556 HB2 ARG 77 1HB ARG 77 4.705 1.207 4.404 557 HB3 ARG 77 2HB ARG 77 4.786 2.033 2.854 558 HG2 ARG 77 1HG ARG 77 3.896 4.036 3.789 559 HG3 ARG 77 2HG ARG 77 3.527 3.223 5.311 560 HD2 ARG 77 1HD ARG 77 6.292 3.627 4.176 561 HD3 ARG 77 2HD ARG 77 5.560 4.612 5.442 562 HE ARG 77 HE ARG 77 6.732 2.015 5.736 563 HH11 ARG 77 1HH1 ARG 77 4.367 4.222 7.022 564 HH12 ARG 77 2HH1 ARG 77 4.399 3.535 8.612 565 HH21 ARG 77 1HH2 ARG 77 6.783 1.101 7.826 566 HH22 ARG 77 2HH2 ARG 77 5.774 1.761 9.068 567 H PHE 78 H PHE 78 0.645 2.704 3.600 568 HA PHE 78 HA PHE 78 0.811 3.749 0.852 569 HB2 PHE 78 1HB PHE 78 -1.172 2.231 1.759 570 HB3 PHE 78 2HB PHE 78 -1.758 3.776 2.368 571 HD1 PHE 78 1HD PHE 78 -0.674 2.028 -0.715 572 HD2 PHE 78 2HD PHE 78 -2.858 5.275 0.959 573 HE1 PHE 78 1HE PHE 78 -1.605 2.541 -2.934 574 HE2 PHE 78 2HE PHE 78 -3.793 5.793 -1.257 575 HZ PHE 78 HZ PHE 78 -3.167 4.425 -3.207 576 H LEU 79 H LEU 79 0.332 5.920 0.456 577 HA LEU 79 HA LEU 79 -0.306 7.711 2.618 578 HB2 LEU 79 1HB LEU 79 1.696 8.999 2.594 579 HB3 LEU 79 2HB LEU 79 2.132 7.317 2.887 580 HG LEU 79 HG LEU 79 2.528 7.331 0.273 581 HD11 LEU 79 1HD1 LEU 79 3.411 10.115 0.828 582 HD12 LEU 79 2HD1 LEU 79 1.726 9.838 0.389 583 HD13 LEU 79 3HD1 LEU 79 3.016 9.336 -0.705 584 HD21 LEU 79 3HD2 LEU 79 4.341 8.328 2.449 585 HD22 LEU 79 1HD2 LEU 79 4.904 8.104 0.793 586 HD23 LEU 79 2HD2 LEU 79 4.282 6.729 1.706 587 H ALA 80 H ALA 80 -0.430 9.991 1.857 588 HA ALA 80 HA ALA 80 -1.291 10.043 -0.952 589 HB1 ALA 80 3HB ALA 80 -2.113 12.391 0.392 590 HB2 ALA 80 1HB ALA 80 -3.108 11.055 -0.187 591 HB3 ALA 80 2HB ALA 80 -2.457 11.024 1.452 592 H TYR 81 H TYR 81 -0.521 11.544 -2.381 593 HA TYR 81 HA TYR 81 1.347 13.580 -1.444 594 HB2 TYR 81 1HB TYR 81 3.144 12.908 -2.837 595 HB3 TYR 81 2HB TYR 81 2.622 11.451 -1.998 596 HD1 TYR 81 1HD TYR 81 2.203 13.289 -5.212 597 HD2 TYR 81 2HD TYR 81 2.100 9.533 -3.215 598 HE1 TYR 81 1HE TYR 81 1.924 12.153 -7.375 599 HE2 TYR 81 2HE TYR 81 1.823 8.387 -5.373 600 HH TYR 81 HH TYR 81 0.800 9.683 -8.025 601 H ASN 82 H ASN 82 1.208 15.427 -2.577 602 HA ASN 82 HA ASN 82 -0.209 15.360 -5.158 603 HB2 ASN 82 1HB ASN 82 -1.473 17.283 -4.601 604 HB3 ASN 82 2HB ASN 82 -1.578 16.236 -3.189 605 HD21 ASN 82 1HD2 ASN 82 -0.548 16.822 -1.298 606 HD22 ASN 82 2HD2 ASN 82 0.072 18.413 -1.033 607 H ARG 83 H ARG 83 0.032 17.749 -6.145 608 HA ARG 83 HA ARG 83 2.420 18.061 -7.280 609 HB2 ARG 83 1HB ARG 83 1.994 20.493 -7.461 610 HB3 ARG 83 2HB ARG 83 0.570 19.526 -7.821 611 HG2 ARG 83 1HG ARG 83 -0.354 20.000 -5.642 612 HG3 ARG 83 2HG ARG 83 1.109 20.875 -5.185 613 HD2 ARG 83 1HD ARG 83 -0.404 22.553 -5.787 614 HD3 ARG 83 2HD ARG 83 0.628 22.368 -7.204 615 HE ARG 83 HE ARG 83 -2.182 21.710 -6.992 616 HH11 ARG 83 1HH1 ARG 83 0.775 21.334 -8.790 617 HH12 ARG 83 2HH1 ARG 83 -0.024 20.907 -10.267 618 HH21 ARG 83 1HH2 ARG 83 -3.246 21.149 -8.930 619 HH22 ARG 83 2HH2 ARG 83 -2.311 20.803 -10.346 620 H TYR 84 H TYR 84 1.610 19.323 -4.069 621 HA TYR 84 HA TYR 84 4.073 20.602 -3.583 622 HB2 TYR 84 1HB TYR 84 2.222 19.403 -1.516 623 HB3 TYR 84 2HB TYR 84 3.388 20.699 -1.271 624 HD1 TYR 84 1HD TYR 84 2.875 22.417 -3.606 625 HD2 TYR 84 2HD TYR 84 0.150 20.364 -1.064 626 HE1 TYR 84 1HE TYR 84 1.142 24.080 -4.132 627 HE2 TYR 84 2HE TYR 84 -1.592 22.021 -1.584 628 HH TYR 84 HH TYR 84 -1.365 24.714 -2.463 629 H GLY 85 H GLY 85 2.872 17.444 -2.426 630 HA2 GLY 85 1HA GLY 85 4.958 15.830 -2.932 631 HA3 GLY 85 2HA GLY 85 5.530 16.713 -1.524 632 HA PRO 86 HA PRO 86 3.054 12.940 -0.232 633 HB2 PRO 86 1HB PRO 86 5.048 11.756 1.181 634 HB3 PRO 86 2HB PRO 86 4.794 11.472 -0.545 635 HG2 PRO 86 1HG PRO 86 6.747 13.293 0.808 636 HG3 PRO 86 2HG PRO 86 6.998 12.212 -0.576 637 HD2 PRO 86 1HD PRO 86 6.611 14.877 -0.860 638 HD3 PRO 86 2HD PRO 86 6.059 13.698 -2.067 639 H GLY 87 H GLY 87 1.948 12.944 1.648 640 HA2 GLY 87 1HA GLY 87 2.939 14.726 3.781 641 HA3 GLY 87 2HA GLY 87 1.244 14.388 3.466 642 H VAL 88 H VAL 88 0.812 13.706 5.558 643 HA VAL 88 HA VAL 88 2.297 11.914 7.077 644 HB VAL 88 HB VAL 88 -0.704 12.267 7.049 645 HG11 VAL 88 1HG1 VAL 88 -0.778 11.224 9.165 646 HG12 VAL 88 2HG1 VAL 88 0.203 10.169 8.145 647 HG13 VAL 88 3HG1 VAL 88 0.979 11.234 9.317 648 HG21 VAL 88 3HG2 VAL 88 1.012 14.225 7.538 649 HG22 VAL 88 1HG2 VAL 88 -0.472 14.037 8.472 650 HG23 VAL 88 2HG2 VAL 88 1.060 13.457 9.125 651 H SER 89 H SER 89 2.602 9.774 7.049 652 HA SER 89 HA SER 89 1.318 8.237 4.924 653 HB2 SER 89 1HB SER 89 3.574 7.384 6.750 654 HB3 SER 89 2HB SER 89 3.066 6.606 5.250 655 HG SER 89 HG SER 89 3.597 8.727 4.261 656 H THR 90 H THR 90 0.486 6.096 5.341 657 HA THR 90 HA THR 90 -1.042 6.018 7.808 658 HB THR 90 HB THR 90 -2.235 4.134 6.804 659 HG1 THR 90 1HG THR 90 -0.249 3.431 5.604 660 HG21 THR 90 3HG2 THR 90 -2.693 6.586 6.181 661 HG22 THR 90 1HG2 THR 90 -3.384 5.333 5.151 662 HG23 THR 90 2HG2 THR 90 -1.933 6.194 4.639 663 H ASP 91 H ASP 91 -1.027 4.313 9.291 664 HA ASP 91 HA ASP 91 1.437 3.282 10.026 665 HB2 ASP 91 1HB ASP 91 -1.384 2.501 10.699 666 HB3 ASP 91 2HB ASP 91 -0.029 1.563 11.321 667 H ASP 92 H ASP 92 2.642 1.609 9.396 668 HA ASP 92 HA ASP 92 2.529 0.275 7.096 669 HB2 ASP 92 1HB ASP 92 4.147 0.045 9.194 670 HB3 ASP 92 2HB ASP 92 3.227 -1.437 9.434 671 H ILE 93 H ILE 93 1.176 -1.034 6.069 672 HA ILE 93 HA ILE 93 -1.028 -2.240 7.543 673 HB ILE 93 HB ILE 93 -0.535 -2.164 4.564 674 HG12 ILE 93 1HG1 ILE 93 -2.497 -0.500 6.141 675 HG13 ILE 93 2HG1 ILE 93 -0.873 0.064 5.760 676 HG21 ILE 93 1HG2 ILE 93 -2.812 -3.133 6.251 677 HG22 ILE 93 2HG2 ILE 93 -3.074 -2.589 4.595 678 HG23 ILE 93 3HG2 ILE 93 -1.992 -3.943 4.917 679 HD11 ILE 93 3HD1 ILE 93 -1.395 -0.237 3.357 680 HD12 ILE 93 1HD1 ILE 93 -3.052 -0.638 3.811 681 HD13 ILE 93 2HD1 ILE 93 -2.403 0.964 4.164 682 H THR 94 H THR 94 -0.316 -4.058 8.545 683 HA THR 94 HA THR 94 1.299 -5.991 7.086 684 HB THR 94 HB THR 94 0.236 -6.334 9.885 685 HG1 THR 94 1HG THR 94 2.285 -5.385 10.517 686 HG21 THR 94 3HG2 THR 94 1.428 -8.170 8.437 687 HG22 THR 94 1HG2 THR 94 1.847 -7.965 10.137 688 HG23 THR 94 2HG2 THR 94 2.885 -7.284 8.885 689 H VAL 95 H VAL 95 0.409 -7.560 5.931 690 HA VAL 95 HA VAL 95 -2.101 -8.769 6.843 691 HB VAL 95 HB VAL 95 -1.604 -7.849 4.009 692 HG11 VAL 95 1HG1 VAL 95 -4.180 -8.611 4.038 693 HG12 VAL 95 2HG1 VAL 95 -2.857 -9.676 3.559 694 HG13 VAL 95 3HG1 VAL 95 -3.513 -9.762 5.195 695 HG21 VAL 95 3HG2 VAL 95 -2.672 -5.976 4.545 696 HG22 VAL 95 1HG2 VAL 95 -4.042 -6.903 5.156 697 HG23 VAL 95 2HG2 VAL 95 -2.703 -6.498 6.230 698 H VAL 96 H VAL 96 -1.652 -10.842 7.152 699 HA VAL 96 HA VAL 96 0.517 -12.155 5.796 700 HB VAL 96 HB VAL 96 -1.578 -13.334 7.627 701 HG11 VAL 96 1HG1 VAL 96 0.560 -14.912 7.936 702 HG12 VAL 96 2HG1 VAL 96 -0.696 -15.224 6.737 703 HG13 VAL 96 3HG1 VAL 96 0.804 -14.430 6.258 704 HG21 VAL 96 3HG2 VAL 96 -0.557 -11.993 9.128 705 HG22 VAL 96 1HG2 VAL 96 0.685 -13.245 9.095 706 HG23 VAL 96 2HG2 VAL 96 0.879 -11.785 8.125 707 H THR 97 H THR 97 0.374 -13.021 3.845 708 HA THR 97 HA THR 97 -1.943 -13.252 2.330 709 HB THR 97 HB THR 97 -0.552 -14.937 0.954 710 HG1 THR 97 1HG THR 97 1.431 -15.365 1.637 711 HG21 THR 97 3HG2 THR 97 -0.697 -12.721 0.166 712 HG22 THR 97 1HG2 THR 97 1.030 -13.067 0.237 713 HG23 THR 97 2HG2 THR 97 0.272 -12.096 1.499 714 H LEU 98 H LEU 98 -3.166 -15.062 1.643 715 HA LEU 98 HA LEU 98 -3.994 -16.791 3.676 716 HB2 LEU 98 1HB LEU 98 -4.326 -17.344 0.741 717 HB3 LEU 98 2HB LEU 98 -5.384 -17.827 2.065 718 HG LEU 98 HG LEU 98 -5.042 -15.072 0.895 719 HD11 LEU 98 1HD1 LEU 98 -7.514 -16.764 1.185 720 HD12 LEU 98 2HD1 LEU 98 -6.510 -16.743 -0.265 721 HD13 LEU 98 3HD1 LEU 98 -7.323 -15.270 0.266 722 HD21 LEU 98 3HD2 LEU 98 -7.128 -15.105 2.781 723 HD22 LEU 98 1HD2 LEU 98 -5.613 -14.205 2.855 724 HD23 LEU 98 2HD2 LEU 98 -5.720 -15.811 3.576 725 H SER 99 H SER 99 -4.185 -19.313 2.883 726 HA SER 99 HA SER 99 -1.468 -20.241 2.263 727 HB2 SER 99 1HB SER 99 -1.423 -20.481 4.589 728 HB3 SER 99 2HB SER 99 -3.129 -20.918 4.675 729 HG SER 99 HG SER 99 -2.491 -22.906 4.600 730 H ASP 100 H ASP 100 -1.805 -21.197 0.349 731 HA ASP 100 HA ASP 100 -4.190 -22.469 -0.445 732 HB2 ASP 100 1HB ASP 100 -2.504 -21.595 -2.030 733 HB3 ASP 100 2HB ASP 100 -1.396 -22.871 -1.536 734 H SER 101 H SER 101 -4.642 -23.838 1.385 735 HA SER 101 HA SER 101 -4.409 -25.721 2.714 736 HB2 SER 101 1HB SER 101 -4.405 -26.694 -0.143 737 HB3 SER 101 2HB SER 101 -4.524 -27.795 1.229 738 HG SER 101 HG SER 101 -6.371 -25.951 0.252 739 H GLY 102 H GLY 102 -1.920 -24.484 2.554 740 HA2 GLY 102 1HA GLY 102 -0.204 -26.753 3.044 741 HA3 GLY 102 2HA GLY 102 0.270 -25.798 1.647 742 HA PRO 103 HA PRO 103 1.299 -23.756 5.934 743 HB2 PRO 103 1HB PRO 103 3.319 -25.264 6.942 744 HB3 PRO 103 2HB PRO 103 1.622 -25.529 7.359 745 HG2 PRO 103 1HG PRO 103 3.334 -26.979 5.378 746 HG3 PRO 103 2HG PRO 103 2.174 -27.636 6.546 747 HD2 PRO 103 1HD PRO 103 1.578 -27.317 3.924 748 HD3 PRO 103 2HD PRO 103 0.361 -27.156 5.206 749 H SER 104 H SER 104 3.504 -22.845 6.551 750 HA SER 104 HA SER 104 4.706 -21.649 4.364 751 HB2 SER 104 1HB SER 104 5.682 -22.089 7.183 752 HB3 SER 104 2HB SER 104 6.628 -21.185 6.000 753 HG SER 104 HG SER 104 3.977 -20.590 6.827 754 H SER 105 H SER 105 5.829 -24.455 6.232 755 HA SER 105 HA SER 105 7.945 -24.922 4.273 756 HB2 SER 105 1HB SER 105 8.189 -25.071 6.875 757 HB3 SER 105 2HB SER 105 7.471 -26.668 6.668 758 HG SER 105 HG SER 105 9.177 -27.249 5.363 759 H GLY 106 H GLY 106 7.348 -26.013 2.516 760 HA2 GLY 106 1HA GLY 106 5.748 -28.460 2.899 761 HA3 GLY 106 2HA GLY 106 5.341 -27.322 1.624 Start of MODEL 5 1 H1 GLY 1 H GLY 1 14.456 32.039 0.924 2 HA2 GLY 1 1HA GLY 1 13.405 29.872 -0.022 3 HA3 GLY 1 2HA GLY 1 13.148 30.206 1.684 4 H SER 2 H SER 2 11.721 30.286 -1.508 5 HA SER 2 HA SER 2 9.284 31.462 -1.036 6 HB2 SER 2 1HB SER 2 9.926 30.747 -3.262 7 HB3 SER 2 2HB SER 2 9.898 29.055 -2.766 8 HG SER 2 HG SER 2 7.609 29.448 -2.278 9 H SER 3 H SER 3 7.794 31.092 0.452 10 HA SER 3 HA SER 3 7.533 28.387 1.566 11 HB2 SER 3 1HB SER 3 6.565 29.396 3.519 12 HB3 SER 3 2HB SER 3 8.013 30.318 3.114 13 HG SER 3 HG SER 3 6.557 31.877 3.367 14 H GLY 4 H GLY 4 5.574 27.330 1.641 15 HA2 GLY 4 1HA GLY 4 3.057 27.819 1.455 16 HA3 GLY 4 2HA GLY 4 3.499 28.456 -0.122 17 H SER 5 H SER 5 4.779 25.579 1.489 18 HA SER 5 HA SER 5 3.365 23.877 -0.427 19 HB2 SER 5 1HB SER 5 6.359 23.765 0.009 20 HB3 SER 5 2HB SER 5 5.421 22.672 -1.008 21 HG SER 5 HG SER 5 6.441 25.066 -1.622 22 H SER 6 H SER 6 2.280 22.494 0.800 23 HA SER 6 HA SER 6 3.694 21.193 3.028 24 HB2 SER 6 1HB SER 6 1.983 22.993 3.722 25 HB3 SER 6 2HB SER 6 0.757 21.850 3.174 26 HG SER 6 HG SER 6 0.990 21.253 5.217 27 H GLY 7 H GLY 7 2.914 19.070 3.574 28 HA2 GLY 7 1HA GLY 7 2.107 17.596 1.220 29 HA3 GLY 7 2HA GLY 7 2.567 16.915 2.774 30 HA PRO 8 HA PRO 8 -2.178 17.165 2.057 31 HB2 PRO 8 1HB PRO 8 -2.643 14.717 0.979 32 HB3 PRO 8 2HB PRO 8 -2.344 16.157 -0.001 33 HG2 PRO 8 1HG PRO 8 -0.456 13.967 0.774 34 HG3 PRO 8 2HG PRO 8 -0.657 14.768 -0.796 35 HD2 PRO 8 1HD PRO 8 1.342 15.401 0.918 36 HD3 PRO 8 2HD PRO 8 0.598 16.595 -0.165 37 H GLY 9 H GLY 9 -3.787 15.646 3.063 38 HA2 GLY 9 1HA GLY 9 -2.659 14.598 5.522 39 HA3 GLY 9 2HA GLY 9 -4.367 14.769 5.145 40 HA PRO 10 HA PRO 10 -2.901 10.284 4.793 41 HB2 PRO 10 1HB PRO 10 -4.292 9.304 6.909 42 HB3 PRO 10 2HB PRO 10 -2.644 9.928 7.049 43 HG2 PRO 10 1HG PRO 10 -5.240 11.274 7.690 44 HG3 PRO 10 2HG PRO 10 -3.722 11.277 8.606 45 HD2 PRO 10 1HD PRO 10 -4.473 13.342 7.024 46 HD3 PRO 10 2HD PRO 10 -2.772 12.896 7.269 47 H VAL 11 H VAL 11 -4.058 8.958 3.527 48 HA VAL 11 HA VAL 11 -6.584 9.640 2.547 49 HB VAL 11 HB VAL 11 -6.621 7.472 1.461 50 HG11 VAL 11 1HG1 VAL 11 -3.800 8.537 1.516 51 HG12 VAL 11 2HG1 VAL 11 -4.561 7.616 0.216 52 HG13 VAL 11 3HG1 VAL 11 -5.126 9.245 0.593 53 HG21 VAL 11 3HG2 VAL 11 -4.544 5.973 1.978 54 HG22 VAL 11 1HG2 VAL 11 -4.582 6.801 3.535 55 HG23 VAL 11 2HG2 VAL 11 -5.982 5.874 2.994 56 H GLU 12 H GLU 12 -8.547 8.239 2.631 57 HA GLU 12 HA GLU 12 -8.973 7.215 5.362 58 HB2 GLU 12 1HB GLU 12 -11.475 7.844 4.630 59 HB3 GLU 12 2HB GLU 12 -10.404 8.978 5.443 60 HG2 GLU 12 1HG GLU 12 -10.089 10.242 3.577 61 HG3 GLU 12 2HG GLU 12 -10.331 8.883 2.480 62 H ASN 13 H ASN 13 -11.052 5.787 5.394 63 HA ASN 13 HA ASN 13 -11.758 3.658 4.926 64 HB2 ASN 13 1HB ASN 13 -12.029 4.939 2.197 65 HB3 ASN 13 2HB ASN 13 -12.836 3.460 2.709 66 HD21 ASN 13 1HD2 ASN 13 -12.977 6.824 2.589 67 HD22 ASN 13 2HD2 ASN 13 -14.384 7.049 3.567 68 H LEU 14 H LEU 14 -8.982 3.775 4.922 69 HA LEU 14 HA LEU 14 -8.062 2.345 2.559 70 HB2 LEU 14 1HB LEU 14 -6.544 3.975 3.324 71 HB3 LEU 14 2HB LEU 14 -6.695 3.442 4.997 72 HG LEU 14 HG LEU 14 -5.653 1.218 3.950 73 HD11 LEU 14 1HD1 LEU 14 -5.357 3.179 1.878 74 HD12 LEU 14 2HD1 LEU 14 -4.917 1.472 1.875 75 HD13 LEU 14 3HD1 LEU 14 -3.774 2.676 2.471 76 HD21 LEU 14 3HD2 LEU 14 -4.730 3.436 5.465 77 HD22 LEU 14 1HD2 LEU 14 -3.444 2.948 4.361 78 HD23 LEU 14 2HD2 LEU 14 -4.143 1.772 5.475 79 H GLN 15 H GLN 15 -8.073 0.207 2.428 80 HA GLN 15 HA GLN 15 -7.652 -1.397 4.830 81 HB2 GLN 15 1HB GLN 15 -10.083 -1.525 3.066 82 HB3 GLN 15 2HB GLN 15 -9.549 -2.928 3.983 83 HG2 GLN 15 1HG GLN 15 -9.941 -0.327 5.382 84 HG3 GLN 15 2HG GLN 15 -11.342 -1.309 4.956 85 HE21 GLN 15 1HE2 GLN 15 -11.152 -3.647 5.613 86 HE22 GLN 15 2HE2 GLN 15 -10.490 -3.964 7.177 87 H ALA 16 H ALA 16 -6.819 -3.465 4.437 88 HA ALA 16 HA ALA 16 -6.281 -4.217 1.665 89 HB1 ALA 16 3HB ALA 16 -4.264 -3.274 3.584 90 HB2 ALA 16 1HB ALA 16 -3.856 -4.765 2.733 91 HB3 ALA 16 2HB ALA 16 -4.233 -3.302 1.821 92 H VAL 17 H VAL 17 -6.735 -6.296 1.405 93 HA VAL 17 HA VAL 17 -6.082 -8.217 3.496 94 HB VAL 17 HB VAL 17 -8.367 -7.603 4.058 95 HG11 VAL 17 1HG1 VAL 17 -9.110 -8.462 1.264 96 HG12 VAL 17 2HG1 VAL 17 -10.206 -7.882 2.519 97 HG13 VAL 17 3HG1 VAL 17 -9.014 -6.790 1.814 98 HG21 VAL 17 3HG2 VAL 17 -9.369 -9.800 4.022 99 HG22 VAL 17 1HG2 VAL 17 -8.309 -10.297 2.703 100 HG23 VAL 17 2HG2 VAL 17 -7.634 -9.954 4.296 101 H SER 18 H SER 18 -5.631 -10.242 2.733 102 HA SER 18 HA SER 18 -5.369 -10.481 -0.154 103 HB2 SER 18 1HB SER 18 -3.458 -11.078 1.285 104 HB3 SER 18 2HB SER 18 -4.431 -12.333 2.052 105 HG SER 18 HG SER 18 -3.398 -12.227 -0.562 106 H THR 19 H THR 19 -6.687 -11.625 -1.406 107 HA THR 19 HA THR 19 -8.655 -13.388 -0.107 108 HB THR 19 HB THR 19 -10.234 -12.844 -1.704 109 HG1 THR 19 1HG THR 19 -9.569 -11.840 -3.748 110 HG21 THR 19 3HG2 THR 19 -9.768 -10.854 -0.394 111 HG22 THR 19 1HG2 THR 19 -10.177 -10.398 -2.047 112 HG23 THR 19 2HG2 THR 19 -8.494 -10.382 -1.519 113 H SER 20 H SER 20 -5.912 -14.112 -0.925 114 HA SER 20 HA SER 20 -6.472 -16.620 -2.090 115 HB2 SER 20 1HB SER 20 -5.878 -14.435 -3.938 116 HB3 SER 20 2HB SER 20 -4.768 -15.794 -4.111 117 HG SER 20 HG SER 20 -7.018 -16.963 -3.947 118 HA PRO 21 HA PRO 21 -2.561 -18.006 -0.676 119 HB2 PRO 21 1HB PRO 21 -1.589 -18.289 -3.482 120 HB3 PRO 21 2HB PRO 21 -1.578 -19.466 -2.163 121 HG2 PRO 21 1HG PRO 21 -3.370 -19.611 -4.151 122 HG3 PRO 21 2HG PRO 21 -3.791 -20.046 -2.484 123 HD2 PRO 21 1HD PRO 21 -4.544 -17.668 -4.067 124 HD3 PRO 21 2HD PRO 21 -5.410 -18.480 -2.746 125 H THR 22 H THR 22 -2.094 -16.006 -3.594 126 HA THR 22 HA THR 22 -0.183 -14.369 -2.081 127 HB THR 22 HB THR 22 1.406 -14.305 -3.856 128 HG1 THR 22 1HG THR 22 0.984 -15.012 -5.864 129 HG21 THR 22 3HG2 THR 22 0.533 -17.179 -3.553 130 HG22 THR 22 1HG2 THR 22 1.503 -16.291 -2.380 131 HG23 THR 22 2HG2 THR 22 2.142 -16.609 -3.993 132 H SER 23 H SER 23 -1.698 -12.718 -1.903 133 HA SER 23 HA SER 23 -1.839 -10.929 -4.114 134 HB2 SER 23 1HB SER 23 -4.232 -10.915 -4.480 135 HB3 SER 23 2HB SER 23 -3.636 -12.556 -4.727 136 HG SER 23 HG SER 23 -4.492 -11.869 -2.166 137 H ILE 24 H ILE 24 -3.317 -9.012 -3.546 138 HA ILE 24 HA ILE 24 -3.910 -8.601 -0.770 139 HB ILE 24 HB ILE 24 -1.587 -7.096 -1.980 140 HG12 ILE 24 1HG1 ILE 24 -1.812 -9.086 0.280 141 HG13 ILE 24 2HG1 ILE 24 -0.840 -9.220 -1.182 142 HG21 ILE 24 1HG2 ILE 24 -1.509 -6.040 0.323 143 HG22 ILE 24 2HG2 ILE 24 -2.815 -5.514 -0.738 144 HG23 ILE 24 3HG2 ILE 24 -3.141 -6.666 0.556 145 HD11 ILE 24 3HD1 ILE 24 -0.385 -7.470 1.207 146 HD12 ILE 24 1HD1 ILE 24 0.667 -8.715 0.534 147 HD13 ILE 24 2HD1 ILE 24 0.431 -7.196 -0.332 148 H LEU 25 H LEU 25 -5.872 -7.759 -1.142 149 HA LEU 25 HA LEU 25 -6.285 -5.829 -3.270 150 HB2 LEU 25 1HB LEU 25 -7.906 -7.663 -2.740 151 HB3 LEU 25 2HB LEU 25 -8.264 -6.827 -1.230 152 HG LEU 25 HG LEU 25 -9.047 -4.878 -2.566 153 HD11 LEU 25 1HD1 LEU 25 -7.703 -6.017 -4.634 154 HD12 LEU 25 2HD1 LEU 25 -8.951 -4.783 -4.803 155 HD13 LEU 25 3HD1 LEU 25 -9.364 -6.486 -4.996 156 HD21 LEU 25 3HD2 LEU 25 -10.962 -5.889 -2.033 157 HD22 LEU 25 1HD2 LEU 25 -10.297 -7.493 -2.341 158 HD23 LEU 25 2HD2 LEU 25 -10.950 -6.539 -3.673 159 H ILE 26 H ILE 26 -5.493 -3.860 -2.797 160 HA ILE 26 HA ILE 26 -5.980 -2.728 -0.138 161 HB ILE 26 HB ILE 26 -4.334 -1.469 -2.322 162 HG12 ILE 26 1HG1 ILE 26 -3.070 -3.038 -0.115 163 HG13 ILE 26 2HG1 ILE 26 -3.705 -3.908 -1.507 164 HG21 ILE 26 1HG2 ILE 26 -4.815 0.082 -0.619 165 HG22 ILE 26 2HG2 ILE 26 -4.551 -1.110 0.653 166 HG23 ILE 26 3HG2 ILE 26 -3.184 -0.495 -0.276 167 HD11 ILE 26 3HD1 ILE 26 -1.777 -3.519 -2.514 168 HD12 ILE 26 1HD1 ILE 26 -2.222 -1.815 -2.582 169 HD13 ILE 26 2HD1 ILE 26 -1.262 -2.423 -1.233 170 H THR 27 H THR 27 -7.845 -1.680 0.056 171 HA THR 27 HA THR 27 -8.813 -0.081 -2.219 172 HB THR 27 HB THR 27 -11.044 -0.212 -1.211 173 HG1 THR 27 1HG THR 27 -10.007 -2.082 0.651 174 HG21 THR 27 3HG2 THR 27 -10.223 -3.056 -1.177 175 HG22 THR 27 1HG2 THR 27 -9.838 -2.140 -2.633 176 HG23 THR 27 2HG2 THR 27 -11.509 -2.259 -2.082 177 H TRP 28 H TRP 28 -7.892 1.889 -1.899 178 HA TRP 28 HA TRP 28 -8.254 3.154 0.732 179 HB2 TRP 28 1HB TRP 28 -6.462 4.675 0.111 180 HB3 TRP 28 2HB TRP 28 -5.925 3.011 -0.097 181 HD1 TRP 28 HD TRP 28 -6.343 6.236 -1.960 182 HE1 TRP 28 1HE TRP 28 -5.628 5.923 -4.413 183 HE3 TRP 28 3HE TRP 28 -5.964 1.138 -2.052 184 HZ2 TRP 28 2HZ TRP 28 -4.988 3.797 -6.156 185 HZ3 TRP 28 3HZ TRP 28 -5.296 0.043 -4.151 186 HH2 TRP 28 HH TRP 28 -4.819 1.346 -6.160 187 H GLU 29 H GLU 29 -8.509 5.621 0.555 188 HA GLU 29 HA GLU 29 -10.206 6.368 -1.716 189 HB2 GLU 29 1HB GLU 29 -10.981 6.279 1.164 190 HB3 GLU 29 2HB GLU 29 -11.606 7.592 0.176 191 HG2 GLU 29 1HG GLU 29 -12.213 5.586 -1.442 192 HG3 GLU 29 2HG GLU 29 -12.195 4.691 0.076 193 HA PRO 30 HA PRO 30 -8.155 10.242 -1.605 194 HB2 PRO 30 1HB PRO 30 -10.143 11.979 -2.239 195 HB3 PRO 30 2HB PRO 30 -9.431 10.864 -3.412 196 HG2 PRO 30 1HG PRO 30 -11.981 10.611 -1.863 197 HG3 PRO 30 2HG PRO 30 -11.667 10.245 -3.570 198 HD2 PRO 30 1HD PRO 30 -11.776 8.324 -1.665 199 HD3 PRO 30 2HD PRO 30 -10.723 8.199 -3.089 200 HA PRO 31 HA PRO 31 -8.786 11.753 2.534 201 HB2 PRO 31 1HB PRO 31 -6.812 13.616 2.482 202 HB3 PRO 31 2HB PRO 31 -6.496 11.887 2.664 203 HG2 PRO 31 1HG PRO 31 -6.326 13.596 0.212 204 HG3 PRO 31 2HG PRO 31 -5.212 12.338 0.778 205 HD2 PRO 31 1HD PRO 31 -7.040 11.897 -1.171 206 HD3 PRO 31 2HD PRO 31 -6.528 10.630 -0.037 207 H ALA 32 H ALA 32 -10.541 12.967 2.894 208 HA ALA 32 HA ALA 32 -11.339 15.148 1.269 209 HB1 ALA 32 3HB ALA 32 -12.472 13.608 3.335 210 HB2 ALA 32 1HB ALA 32 -12.548 15.292 3.855 211 HB3 ALA 32 2HB ALA 32 -13.264 14.810 2.317 212 H TYR 33 H TYR 33 -9.521 14.896 4.260 213 HA TYR 33 HA TYR 33 -9.373 17.817 4.452 214 HB2 TYR 33 1HB TYR 33 -8.137 17.170 6.655 215 HB3 TYR 33 2HB TYR 33 -9.887 17.003 6.567 216 HD1 TYR 33 2HD TYR 33 -6.695 15.148 6.475 217 HD2 TYR 33 1HD TYR 33 -10.932 14.873 6.755 218 HE1 TYR 33 2HE TYR 33 -6.494 12.778 7.102 219 HE2 TYR 33 1HE TYR 33 -10.743 12.503 7.384 220 HH TYR 33 HH TYR 33 -9.198 10.669 7.210 221 H ALA 34 H ALA 34 -8.033 17.295 2.331 222 HA ALA 34 HA ALA 34 -5.203 17.054 3.125 223 HB1 ALA 34 3HB ALA 34 -6.577 15.532 1.270 224 HB2 ALA 34 1HB ALA 34 -5.693 16.701 0.289 225 HB3 ALA 34 2HB ALA 34 -4.825 15.667 1.424 226 H ASN 35 H ASN 35 -3.685 18.280 1.708 227 HA ASN 35 HA ASN 35 -4.707 20.980 1.341 228 HB2 ASN 35 1HB ASN 35 -2.532 20.397 2.566 229 HB3 ASN 35 2HB ASN 35 -1.850 20.089 0.971 230 HD21 ASN 35 1HD2 ASN 35 -0.374 21.809 1.628 231 HD22 ASN 35 2HD2 ASN 35 -0.838 23.451 1.353 232 H GLY 36 H GLY 36 -5.833 21.012 -0.565 233 HA2 GLY 36 1HA GLY 36 -5.955 21.440 -2.842 234 HA3 GLY 36 2HA GLY 36 -4.248 21.043 -2.977 235 HA PRO 37 HA PRO 37 -6.590 17.650 -5.041 236 HB2 PRO 37 1HB PRO 37 -4.852 17.417 -7.114 237 HB3 PRO 37 2HB PRO 37 -6.182 18.580 -7.103 238 HG2 PRO 37 1HG PRO 37 -3.285 19.010 -6.482 239 HG3 PRO 37 2HG PRO 37 -4.387 20.021 -7.435 240 HD2 PRO 37 1HD PRO 37 -3.740 20.591 -4.869 241 HD3 PRO 37 2HD PRO 37 -5.326 20.982 -5.563 242 H VAL 38 H VAL 38 -5.428 15.586 -6.085 243 HA VAL 38 HA VAL 38 -3.194 14.792 -4.343 244 HB VAL 38 HB VAL 38 -5.685 13.174 -4.891 245 HG11 VAL 38 1HG1 VAL 38 -2.997 12.317 -4.342 246 HG12 VAL 38 2HG1 VAL 38 -4.072 11.854 -3.021 247 HG13 VAL 38 3HG1 VAL 38 -4.434 11.351 -4.673 248 HG21 VAL 38 3HG2 VAL 38 -5.985 14.806 -3.130 249 HG22 VAL 38 1HG2 VAL 38 -5.891 13.190 -2.429 250 HG23 VAL 38 2HG2 VAL 38 -4.501 14.272 -2.341 251 H GLN 39 H GLN 39 -1.692 14.901 -5.986 252 HA GLN 39 HA GLN 39 -1.821 14.221 -8.595 253 HB2 GLN 39 1HB GLN 39 0.355 13.913 -6.571 254 HB3 GLN 39 2HB GLN 39 0.600 13.254 -8.183 255 HG2 GLN 39 1HG GLN 39 -0.133 15.616 -8.973 256 HG3 GLN 39 2HG GLN 39 0.284 16.093 -7.328 257 HE21 GLN 39 1HE2 GLN 39 2.477 14.946 -6.658 258 HE22 GLN 39 2HE2 GLN 39 3.766 15.212 -7.776 259 H GLY 40 H GLY 40 -1.453 11.948 -5.903 260 HA2 GLY 40 1HA GLY 40 -2.872 9.872 -7.075 261 HA3 GLY 40 2HA GLY 40 -1.190 9.630 -7.523 262 H TYR 41 H TYR 41 -0.936 7.747 -6.346 263 HA TYR 41 HA TYR 41 -0.604 8.152 -3.475 264 HB2 TYR 41 1HB TYR 41 -2.095 5.743 -4.517 265 HB3 TYR 41 2HB TYR 41 -1.866 6.226 -2.840 266 HD1 TYR 41 1HD TYR 41 -3.700 6.927 -5.948 267 HD2 TYR 41 2HD TYR 41 -3.249 7.924 -1.836 268 HE1 TYR 41 1HE TYR 41 -5.833 8.149 -6.017 269 HE2 TYR 41 2HE TYR 41 -5.382 9.148 -1.893 270 HH TYR 41 HH TYR 41 -6.781 10.320 -3.735 271 H ARG 42 H ARG 42 1.064 7.011 -2.605 272 HA ARG 42 HA ARG 42 2.564 5.279 -4.456 273 HB2 ARG 42 1HB ARG 42 3.496 7.553 -3.439 274 HB3 ARG 42 2HB ARG 42 3.879 6.504 -2.080 275 HG2 ARG 42 1HG ARG 42 5.205 5.075 -3.522 276 HG3 ARG 42 2HG ARG 42 4.777 6.063 -4.920 277 HD2 ARG 42 1HD ARG 42 6.013 7.401 -2.569 278 HD3 ARG 42 2HD ARG 42 7.044 6.418 -3.607 279 HE ARG 42 HE ARG 42 5.550 8.125 -5.235 280 HH11 ARG 42 1HH1 ARG 42 8.056 8.297 -2.825 281 HH12 ARG 42 2HH1 ARG 42 8.760 9.742 -3.472 282 HH21 ARG 42 1HH2 ARG 42 6.468 10.027 -6.097 283 HH22 ARG 42 2HH2 ARG 42 7.855 10.725 -5.333 284 H LEU 43 H LEU 43 2.923 3.223 -3.896 285 HA LEU 43 HA LEU 43 2.249 2.411 -1.145 286 HB2 LEU 43 1HB LEU 43 0.666 1.415 -2.548 287 HB3 LEU 43 2HB LEU 43 1.864 1.049 -3.787 288 HG LEU 43 HG LEU 43 2.850 -0.584 -2.064 289 HD11 LEU 43 1HD1 LEU 43 0.129 -0.088 -0.873 290 HD12 LEU 43 2HD1 LEU 43 1.696 0.142 -0.098 291 HD13 LEU 43 3HD1 LEU 43 1.140 -1.483 -0.497 292 HD21 LEU 43 3HD2 LEU 43 1.213 -0.930 -4.149 293 HD22 LEU 43 1HD2 LEU 43 0.168 -1.538 -2.865 294 HD23 LEU 43 2HD2 LEU 43 1.756 -2.260 -3.125 295 H PHE 44 H PHE 44 3.625 1.081 -0.034 296 HA PHE 44 HA PHE 44 6.120 0.303 -1.384 297 HB2 PHE 44 1HB PHE 44 5.883 1.483 1.392 298 HB3 PHE 44 2HB PHE 44 7.368 0.882 0.663 299 HD1 PHE 44 2HD PHE 44 8.378 2.077 -1.246 300 HD2 PHE 44 1HD PHE 44 5.022 3.628 0.862 301 HE1 PHE 44 2HE PHE 44 8.803 4.299 -2.212 302 HE2 PHE 44 1HE PHE 44 5.441 5.853 -0.101 303 HZ PHE 44 HZ PHE 44 7.334 6.191 -1.640 304 H CYS 45 H CYS 45 6.014 -1.850 -1.472 305 HA CYS 45 HA CYS 45 4.878 -3.340 0.769 306 HB2 CYS 45 1HB CYS 45 4.058 -3.992 -1.402 307 HB3 CYS 45 2HB CYS 45 5.696 -4.185 -2.014 308 HG CYS 45 HG CYS 45 5.262 -6.109 0.624 309 H THR 46 H THR 46 6.208 -3.926 2.342 310 HA THR 46 HA THR 46 9.009 -4.543 1.672 311 HB THR 46 HB THR 46 7.877 -3.769 4.368 312 HG1 THR 46 1HG THR 46 7.856 -1.978 3.007 313 HG21 THR 46 3HG2 THR 46 9.896 -4.177 5.257 314 HG22 THR 46 1HG2 THR 46 10.741 -3.458 3.887 315 HG23 THR 46 2HG2 THR 46 10.199 -5.134 3.807 316 H GLU 47 H GLU 47 9.831 -6.510 2.116 317 HA GLU 47 HA GLU 47 7.987 -8.557 3.047 318 HB2 GLU 47 1HB GLU 47 9.366 -8.931 1.022 319 HB3 GLU 47 2HB GLU 47 10.815 -8.829 2.013 320 HG2 GLU 47 1HG GLU 47 10.084 -10.791 3.277 321 HG3 GLU 47 2HG GLU 47 8.642 -10.897 2.269 322 H VAL 48 H VAL 48 7.805 -8.439 5.231 323 HA VAL 48 HA VAL 48 9.723 -7.764 7.093 324 HB VAL 48 HB VAL 48 7.533 -9.813 7.464 325 HG11 VAL 48 1HG1 VAL 48 8.738 -10.077 9.382 326 HG12 VAL 48 2HG1 VAL 48 9.402 -8.443 9.322 327 HG13 VAL 48 3HG1 VAL 48 7.742 -8.703 9.858 328 HG21 VAL 48 3HG2 VAL 48 6.107 -8.031 8.129 329 HG22 VAL 48 1HG2 VAL 48 7.433 -6.869 8.084 330 HG23 VAL 48 2HG2 VAL 48 6.820 -7.565 6.584 331 H SER 49 H SER 49 9.236 -10.810 5.442 332 HA SER 49 HA SER 49 10.705 -12.526 7.054 333 HB2 SER 49 1HB SER 49 9.350 -13.202 5.065 334 HB3 SER 49 2HB SER 49 10.630 -12.573 4.028 335 HG SER 49 HG SER 49 10.556 -14.878 5.569 336 H THR 50 H THR 50 11.903 -10.855 4.137 337 HA THR 50 HA THR 50 14.645 -11.286 5.023 338 HB THR 50 HB THR 50 15.266 -10.294 2.822 339 HG1 THR 50 1HG THR 50 13.544 -9.001 2.319 340 HG21 THR 50 3HG2 THR 50 14.295 -12.805 3.371 341 HG22 THR 50 1HG2 THR 50 15.113 -12.326 1.884 342 HG23 THR 50 2HG2 THR 50 13.351 -12.324 1.961 343 H GLY 51 H GLY 51 12.585 -8.547 4.037 344 HA2 GLY 51 1HA GLY 51 12.599 -6.588 5.537 345 HA3 GLY 51 2HA GLY 51 14.339 -6.805 5.658 346 H LYS 52 H LYS 52 12.847 -7.295 2.586 347 HA LYS 52 HA LYS 52 14.183 -4.890 1.589 348 HB2 LYS 52 1HB LYS 52 13.209 -7.423 0.308 349 HB3 LYS 52 2HB LYS 52 13.513 -5.995 -0.673 350 HG2 LYS 52 1HG LYS 52 15.829 -5.955 0.346 351 HG3 LYS 52 2HG LYS 52 15.471 -7.563 0.978 352 HD2 LYS 52 1HD LYS 52 14.819 -8.076 -1.498 353 HD3 LYS 52 2HD LYS 52 15.820 -6.666 -1.853 354 HE2 LYS 52 1HE LYS 52 16.842 -8.869 -0.100 355 HE3 LYS 52 2HE LYS 52 16.903 -9.018 -1.855 356 HZ1 LYS 52 3HZ LYS 52 18.164 -6.885 -0.219 357 HZ2 LYS 52 1HZ LYS 52 18.146 -6.912 -1.911 358 HZ3 LYS 52 2HZ LYS 52 18.962 -8.121 -1.055 359 H GLU 53 H GLU 53 13.132 -3.277 0.474 360 HA GLU 53 HA GLU 53 10.188 -3.371 0.570 361 HB2 GLU 53 1HB GLU 53 11.140 -1.718 2.115 362 HB3 GLU 53 2HB GLU 53 12.006 -0.965 0.784 363 HG2 GLU 53 1HG GLU 53 9.959 -0.267 -0.239 364 HG3 GLU 53 2HG GLU 53 9.010 -1.176 0.937 365 H GLN 54 H GLN 54 9.026 -2.714 -1.202 366 HA GLN 54 HA GLN 54 10.564 -1.971 -3.598 367 HB2 GLN 54 1HB GLN 54 9.238 -3.419 -4.967 368 HB3 GLN 54 2HB GLN 54 9.858 -4.373 -3.626 369 HG2 GLN 54 1HG GLN 54 7.630 -3.931 -2.487 370 HG3 GLN 54 2HG GLN 54 7.071 -3.356 -4.057 371 HE21 GLN 54 1HE2 GLN 54 5.527 -5.139 -3.739 372 HE22 GLN 54 2HE2 GLN 54 5.985 -6.721 -4.259 373 H ASN 55 H ASN 55 9.969 -0.025 -4.262 374 HA ASN 55 HA ASN 55 7.538 1.207 -3.398 375 HB2 ASN 55 1HB ASN 55 8.399 2.927 -5.254 376 HB3 ASN 55 2HB ASN 55 9.126 2.832 -3.653 377 HD21 ASN 55 1HD2 ASN 55 10.993 1.336 -3.457 378 HD22 ASN 55 2HD2 ASN 55 12.102 1.263 -4.780 379 H ILE 56 H ILE 56 5.656 1.503 -4.469 380 HA ILE 56 HA ILE 56 5.489 0.664 -7.275 381 HB ILE 56 HB ILE 56 3.598 -0.246 -5.104 382 HG12 ILE 56 1HG1 ILE 56 5.388 -1.878 -6.913 383 HG13 ILE 56 2HG1 ILE 56 5.793 -1.447 -5.255 384 HG21 ILE 56 1HG2 ILE 56 2.188 0.038 -6.901 385 HG22 ILE 56 2HG2 ILE 56 3.447 -0.320 -8.082 386 HG23 ILE 56 3HG2 ILE 56 2.724 -1.625 -7.141 387 HD11 ILE 56 3HD1 ILE 56 3.534 -3.192 -6.192 388 HD12 ILE 56 1HD1 ILE 56 4.953 -3.669 -5.259 389 HD13 ILE 56 2HD1 ILE 56 3.724 -2.634 -4.530 390 H GLU 57 H GLU 57 4.158 1.877 -8.519 391 HA GLU 57 HA GLU 57 2.670 4.025 -7.159 392 HB2 GLU 57 1HB GLU 57 4.328 3.966 -9.622 393 HB3 GLU 57 2HB GLU 57 2.896 4.984 -9.653 394 HG2 GLU 57 1HG GLU 57 3.879 5.797 -7.334 395 HG3 GLU 57 2HG GLU 57 5.385 5.253 -8.070 396 H VAL 58 H VAL 58 0.606 3.376 -7.035 397 HA VAL 58 HA VAL 58 -0.633 2.180 -9.422 398 HB VAL 58 HB VAL 58 -2.336 1.263 -7.991 399 HG11 VAL 58 1HG1 VAL 58 -0.102 0.543 -6.259 400 HG12 VAL 58 2HG1 VAL 58 -1.062 -0.460 -7.349 401 HG13 VAL 58 3HG1 VAL 58 0.294 0.478 -7.976 402 HG21 VAL 58 3HG2 VAL 58 -2.685 1.788 -5.780 403 HG22 VAL 58 1HG2 VAL 58 -1.012 2.282 -5.522 404 HG23 VAL 58 2HG2 VAL 58 -2.117 3.337 -6.402 405 H ASP 59 H ASP 59 -2.642 2.936 -10.154 406 HA ASP 59 HA ASP 59 -3.420 5.590 -9.138 407 HB2 ASP 59 1HB ASP 59 -2.290 5.768 -11.321 408 HB3 ASP 59 2HB ASP 59 -3.464 4.652 -12.015 409 H GLY 60 H GLY 60 -5.537 5.920 -8.725 410 HA2 GLY 60 1HA GLY 60 -7.857 5.347 -9.565 411 HA3 GLY 60 2HA GLY 60 -7.361 3.678 -9.330 412 H LEU 61 H LEU 61 -8.757 3.065 -7.756 413 HA LEU 61 HA LEU 61 -8.590 4.538 -5.210 414 HB2 LEU 61 1HB LEU 61 -10.924 3.432 -6.676 415 HB3 LEU 61 2HB LEU 61 -10.940 3.339 -4.916 416 HG LEU 61 HG LEU 61 -10.532 5.922 -6.406 417 HD11 LEU 61 1HD1 LEU 61 -13.088 5.934 -5.333 418 HD12 LEU 61 2HD1 LEU 61 -12.943 4.355 -6.104 419 HD13 LEU 61 3HD1 LEU 61 -12.659 5.822 -7.041 420 HD21 LEU 61 3HD2 LEU 61 -10.960 5.112 -3.571 421 HD22 LEU 61 1HD2 LEU 61 -11.587 6.665 -4.122 422 HD23 LEU 61 2HD2 LEU 61 -9.863 6.316 -4.248 423 H SER 62 H SER 62 -8.611 1.470 -6.848 424 HA SER 62 HA SER 62 -7.681 0.191 -4.381 425 HB2 SER 62 1HB SER 62 -9.147 -1.648 -4.549 426 HB3 SER 62 2HB SER 62 -10.176 -0.246 -4.843 427 HG SER 62 HG SER 62 -9.726 -0.682 -7.146 428 H TYR 63 H TYR 63 -6.377 -1.674 -4.711 429 HA TYR 63 HA TYR 63 -5.602 -2.338 -7.433 430 HB2 TYR 63 1HB TYR 63 -4.145 -0.436 -6.842 431 HB3 TYR 63 2HB TYR 63 -3.588 -1.313 -5.421 432 HD1 TYR 63 2HD TYR 63 -2.175 -3.328 -5.686 433 HD2 TYR 63 1HD TYR 63 -3.284 -0.925 -9.018 434 HE1 TYR 63 2HE TYR 63 -0.390 -4.367 -7.022 435 HE2 TYR 63 1HE TYR 63 -1.502 -1.958 -10.363 436 HH TYR 63 HH TYR 63 0.989 -3.354 -9.354 437 H LYS 64 H LYS 64 -5.333 -4.460 -7.594 438 HA LYS 64 HA LYS 64 -5.046 -6.032 -5.142 439 HB2 LYS 64 1HB LYS 64 -6.888 -6.533 -6.766 440 HB3 LYS 64 2HB LYS 64 -5.662 -6.997 -7.939 441 HG2 LYS 64 1HG LYS 64 -6.775 -8.864 -6.645 442 HG3 LYS 64 2HG LYS 64 -5.011 -8.868 -6.686 443 HD2 LYS 64 1HD LYS 64 -4.822 -8.355 -4.471 444 HD3 LYS 64 2HD LYS 64 -6.330 -7.437 -4.444 445 HE2 LYS 64 1HE LYS 64 -6.165 -10.440 -4.662 446 HE3 LYS 64 2HE LYS 64 -6.407 -9.566 -3.151 447 HZ1 LYS 64 3HZ LYS 64 -8.539 -10.129 -3.828 448 HZ2 LYS 64 1HZ LYS 64 -8.234 -9.794 -5.458 449 HZ3 LYS 64 2HZ LYS 64 -8.391 -8.526 -4.350 450 H LEU 65 H LEU 65 -3.047 -6.553 -4.565 451 HA LEU 65 HA LEU 65 -0.854 -6.528 -6.404 452 HB2 LEU 65 1HB LEU 65 -1.001 -6.096 -3.787 453 HB3 LEU 65 2HB LEU 65 -0.606 -7.813 -3.738 454 HG LEU 65 HG LEU 65 1.318 -6.983 -5.402 455 HD11 LEU 65 1HD1 LEU 65 2.203 -4.836 -4.390 456 HD12 LEU 65 2HD1 LEU 65 0.587 -4.598 -3.728 457 HD13 LEU 65 3HD1 LEU 65 0.820 -4.684 -5.474 458 HD21 LEU 65 3HD2 LEU 65 2.109 -8.159 -3.629 459 HD22 LEU 65 1HD2 LEU 65 1.133 -7.271 -2.460 460 HD23 LEU 65 2HD2 LEU 65 2.604 -6.547 -3.110 461 H GLU 66 H GLU 66 0.423 -8.264 -7.083 462 HA GLU 66 HA GLU 66 -0.512 -10.970 -6.532 463 HB2 GLU 66 1HB GLU 66 -0.160 -10.031 -9.378 464 HB3 GLU 66 2HB GLU 66 -0.780 -11.581 -8.827 465 HG2 GLU 66 1HG GLU 66 -2.666 -10.241 -7.748 466 HG3 GLU 66 2HG GLU 66 -2.111 -8.899 -8.747 467 H GLY 67 H GLY 67 1.010 -12.619 -7.154 468 HA2 GLY 67 1HA GLY 67 3.123 -13.405 -7.804 469 HA3 GLY 67 2HA GLY 67 3.647 -11.743 -8.028 470 H LEU 68 H LEU 68 2.055 -12.774 -5.103 471 HA LEU 68 HA LEU 68 4.494 -12.162 -3.615 472 HB2 LEU 68 1HB LEU 68 1.671 -12.604 -2.656 473 HB3 LEU 68 2HB LEU 68 3.032 -12.118 -1.647 474 HG LEU 68 HG LEU 68 2.387 -10.373 -3.953 475 HD11 LEU 68 1HD1 LEU 68 0.163 -10.696 -3.278 476 HD12 LEU 68 2HD1 LEU 68 0.675 -9.213 -2.472 477 HD13 LEU 68 3HD1 LEU 68 0.596 -10.726 -1.568 478 HD21 LEU 68 3HD2 LEU 68 2.647 -9.067 -1.433 479 HD22 LEU 68 1HD2 LEU 68 3.737 -9.030 -2.819 480 HD23 LEU 68 2HD2 LEU 68 3.925 -10.275 -1.584 481 H LYS 69 H LYS 69 4.305 -13.548 -1.349 482 HA LYS 69 HA LYS 69 4.802 -16.284 -2.231 483 HB2 LYS 69 1HB LYS 69 5.503 -14.716 0.234 484 HB3 LYS 69 2HB LYS 69 5.618 -16.471 0.225 485 HG2 LYS 69 1HG LYS 69 7.016 -16.046 -1.957 486 HG3 LYS 69 2HG LYS 69 7.244 -14.453 -1.232 487 HD2 LYS 69 1HD LYS 69 7.666 -16.841 0.488 488 HD3 LYS 69 2HD LYS 69 8.889 -16.473 -0.731 489 HE2 LYS 69 1HE LYS 69 7.870 -14.415 1.211 490 HE3 LYS 69 2HE LYS 69 9.230 -15.474 1.584 491 HZ1 LYS 69 3HZ LYS 69 9.539 -14.257 -0.967 492 HZ2 LYS 69 1HZ LYS 69 10.575 -14.221 0.369 493 HZ3 LYS 69 2HZ LYS 69 9.330 -13.085 0.235 494 H LYS 70 H LYS 70 3.693 -18.052 -1.526 495 HA LYS 70 HA LYS 70 1.080 -18.134 -1.076 496 HB2 LYS 70 1HB LYS 70 2.819 -20.062 -1.086 497 HB3 LYS 70 2HB LYS 70 2.790 -19.888 0.664 498 HG2 LYS 70 1HG LYS 70 0.673 -20.709 0.853 499 HG3 LYS 70 2HG LYS 70 0.195 -20.155 -0.754 500 HD2 LYS 70 1HD LYS 70 2.170 -22.384 -0.310 501 HD3 LYS 70 2HD LYS 70 0.433 -22.658 -0.462 502 HE2 LYS 70 1HE LYS 70 1.048 -22.932 -2.641 503 HE3 LYS 70 2HE LYS 70 0.760 -21.193 -2.640 504 HZ1 LYS 70 3HZ LYS 70 2.906 -20.770 -3.005 505 HZ2 LYS 70 1HZ LYS 70 3.036 -22.395 -3.459 506 HZ3 LYS 70 2HZ LYS 70 3.439 -21.922 -1.886 507 H PHE 71 H PHE 71 3.173 -18.438 1.792 508 HA PHE 71 HA PHE 71 1.317 -16.674 3.239 509 HB2 PHE 71 1HB PHE 71 0.872 -19.061 3.791 510 HB3 PHE 71 2HB PHE 71 2.532 -19.208 4.359 511 HD1 PHE 71 1HD PHE 71 3.255 -17.592 6.237 512 HD2 PHE 71 2HD PHE 71 -0.800 -18.432 5.256 513 HE1 PHE 71 1HE PHE 71 2.560 -16.827 8.470 514 HE2 PHE 71 2HE PHE 71 -1.502 -17.668 7.487 515 HZ PHE 71 HZ PHE 71 0.178 -16.863 9.097 516 H THR 72 H THR 72 2.573 -14.905 3.444 517 HA THR 72 HA THR 72 4.925 -15.122 5.133 518 HB THR 72 HB THR 72 5.059 -14.013 2.329 519 HG1 THR 72 1HG THR 72 5.776 -16.025 2.165 520 HG21 THR 72 3HG2 THR 72 6.128 -12.374 3.691 521 HG22 THR 72 1HG2 THR 72 7.404 -13.353 2.969 522 HG23 THR 72 2HG2 THR 72 6.940 -13.610 4.651 523 H GLU 73 H GLU 73 4.770 -13.595 6.629 524 HA GLU 73 HA GLU 73 2.827 -11.597 6.653 525 HB2 GLU 73 1HB GLU 73 3.931 -12.440 8.679 526 HB3 GLU 73 2HB GLU 73 5.436 -11.684 8.177 527 HG2 GLU 73 1HG GLU 73 4.338 -9.482 8.303 528 HG3 GLU 73 2HG GLU 73 2.877 -10.272 8.892 529 H TYR 74 H TYR 74 2.696 -10.048 5.156 530 HA TYR 74 HA TYR 74 5.158 -8.641 4.370 531 HB2 TYR 74 1HB TYR 74 2.550 -9.116 2.952 532 HB3 TYR 74 2HB TYR 74 3.620 -7.808 2.460 533 HD1 TYR 74 2HD TYR 74 6.147 -8.558 2.103 534 HD2 TYR 74 1HD TYR 74 2.786 -11.160 1.907 535 HE1 TYR 74 2HE TYR 74 7.453 -10.134 0.739 536 HE2 TYR 74 1HE TYR 74 4.083 -12.744 0.544 537 HH TYR 74 HH TYR 74 5.994 -12.855 -0.829 538 H SER 75 H SER 75 5.347 -6.471 4.628 539 HA SER 75 HA SER 75 3.120 -5.110 5.996 540 HB2 SER 75 1HB SER 75 5.104 -5.384 7.421 541 HB3 SER 75 2HB SER 75 6.092 -4.565 6.211 542 HG SER 75 HG SER 75 5.289 -2.691 6.804 543 H LEU 76 H LEU 76 2.085 -3.808 4.639 544 HA LEU 76 HA LEU 76 3.601 -2.431 2.537 545 HB2 LEU 76 1HB LEU 76 0.610 -2.612 2.813 546 HB3 LEU 76 2HB LEU 76 1.534 -2.119 1.395 547 HG LEU 76 HG LEU 76 1.422 -4.907 2.547 548 HD11 LEU 76 1HD1 LEU 76 0.336 -5.287 0.235 549 HD12 LEU 76 2HD1 LEU 76 0.011 -3.554 0.282 550 HD13 LEU 76 3HD1 LEU 76 -0.641 -4.608 1.537 551 HD21 LEU 76 3HD2 LEU 76 2.878 -3.733 0.190 552 HD22 LEU 76 1HD2 LEU 76 2.551 -5.459 0.355 553 HD23 LEU 76 2HD2 LEU 76 3.549 -4.632 1.552 554 H ARG 77 H ARG 77 3.114 -0.181 2.088 555 HA ARG 77 HA ARG 77 1.999 1.317 4.349 556 HB2 ARG 77 1HB ARG 77 4.377 1.339 4.745 557 HB3 ARG 77 2HB ARG 77 4.696 1.793 3.077 558 HG2 ARG 77 1HG ARG 77 3.967 3.973 3.397 559 HG3 ARG 77 2HG ARG 77 3.058 3.557 4.851 560 HD2 ARG 77 1HD ARG 77 5.044 4.781 5.467 561 HD3 ARG 77 2HD ARG 77 5.189 3.111 6.014 562 HE ARG 77 HE ARG 77 6.396 3.169 3.553 563 HH11 ARG 77 1HH1 ARG 77 6.812 4.833 6.582 564 HH12 ARG 77 2HH1 ARG 77 8.516 5.063 6.372 565 HH21 ARG 77 1HH2 ARG 77 8.640 3.466 3.264 566 HH22 ARG 77 2HH2 ARG 77 9.555 4.285 4.483 567 H PHE 78 H PHE 78 0.543 2.734 3.668 568 HA PHE 78 HA PHE 78 0.739 3.726 0.900 569 HB2 PHE 78 1HB PHE 78 -1.248 2.169 1.739 570 HB3 PHE 78 2HB PHE 78 -1.881 3.705 2.322 571 HD1 PHE 78 1HD PHE 78 -0.398 2.219 -0.759 572 HD2 PHE 78 2HD PHE 78 -3.214 4.936 0.916 573 HE1 PHE 78 1HE PHE 78 -1.255 2.714 -3.012 574 HE2 PHE 78 2HE PHE 78 -4.076 5.434 -1.334 575 HZ PHE 78 HZ PHE 78 -3.098 4.322 -3.301 576 H LEU 79 H LEU 79 0.367 5.890 0.506 577 HA LEU 79 HA LEU 79 -0.444 7.668 2.629 578 HB2 LEU 79 1HB LEU 79 1.547 8.950 2.765 579 HB3 LEU 79 2HB LEU 79 1.984 7.264 3.035 580 HG LEU 79 HG LEU 79 2.523 7.369 0.443 581 HD11 LEU 79 1HD1 LEU 79 1.695 9.808 0.474 582 HD12 LEU 79 2HD1 LEU 79 3.196 9.435 -0.373 583 HD13 LEU 79 3HD1 LEU 79 3.247 10.165 1.231 584 HD21 LEU 79 3HD2 LEU 79 4.002 7.586 2.864 585 HD22 LEU 79 1HD2 LEU 79 4.754 8.624 1.652 586 HD23 LEU 79 2HD2 LEU 79 4.509 6.910 1.315 587 H ALA 80 H ALA 80 -0.663 9.901 1.887 588 HA ALA 80 HA ALA 80 -1.292 9.981 -0.976 589 HB1 ALA 80 3HB ALA 80 -2.647 10.892 1.332 590 HB2 ALA 80 1HB ALA 80 -2.201 12.311 0.384 591 HB3 ALA 80 2HB ALA 80 -3.149 11.020 -0.354 592 H TYR 81 H TYR 81 -0.412 11.456 -2.353 593 HA TYR 81 HA TYR 81 1.417 13.471 -1.268 594 HB2 TYR 81 1HB TYR 81 3.171 12.871 -2.839 595 HB3 TYR 81 2HB TYR 81 2.766 11.475 -1.847 596 HD1 TYR 81 1HD TYR 81 1.784 13.009 -5.114 597 HD2 TYR 81 2HD TYR 81 2.519 9.444 -2.911 598 HE1 TYR 81 1HE TYR 81 1.409 11.681 -7.150 599 HE2 TYR 81 2HE TYR 81 2.147 8.106 -4.941 600 HH TYR 81 HH TYR 81 2.304 8.497 -7.458 601 H ASN 82 H ASN 82 1.548 15.339 -2.446 602 HA ASN 82 HA ASN 82 -0.027 15.458 -4.932 603 HB2 ASN 82 1HB ASN 82 -0.880 17.640 -4.284 604 HB3 ASN 82 2HB ASN 82 -1.272 16.461 -3.036 605 HD21 ASN 82 1HD2 ASN 82 -1.509 18.093 -1.503 606 HD22 ASN 82 2HD2 ASN 82 -0.147 18.906 -0.818 607 H ARG 83 H ARG 83 0.420 17.895 -5.840 608 HA ARG 83 HA ARG 83 2.891 17.848 -7.029 609 HB2 ARG 83 1HB ARG 83 2.550 20.244 -7.532 610 HB3 ARG 83 2HB ARG 83 1.108 19.283 -7.830 611 HG2 ARG 83 1HG ARG 83 0.434 20.009 -5.435 612 HG3 ARG 83 2HG ARG 83 1.638 21.277 -5.673 613 HD2 ARG 83 1HD ARG 83 0.471 22.195 -7.491 614 HD3 ARG 83 2HD ARG 83 -0.522 20.752 -7.690 615 HE ARG 83 HE ARG 83 -0.853 22.147 -5.176 616 HH11 ARG 83 1HH1 ARG 83 -1.957 21.736 -8.452 617 HH12 ARG 83 2HH1 ARG 83 -3.531 22.392 -8.143 618 HH21 ARG 83 1HH2 ARG 83 -2.921 23.012 -4.756 619 HH22 ARG 83 2HH2 ARG 83 -4.078 23.119 -6.040 620 H TYR 84 H TYR 84 1.995 19.289 -3.947 621 HA TYR 84 HA TYR 84 4.432 20.667 -3.506 622 HB2 TYR 84 1HB TYR 84 2.522 19.629 -1.406 623 HB3 TYR 84 2HB TYR 84 3.670 20.953 -1.237 624 HD1 TYR 84 1HD TYR 84 3.174 22.373 -3.823 625 HD2 TYR 84 2HD TYR 84 0.471 20.693 -0.999 626 HE1 TYR 84 1HE TYR 84 1.444 23.967 -4.540 627 HE2 TYR 84 2HE TYR 84 -1.267 22.282 -1.709 628 HH TYR 84 HH TYR 84 -1.138 24.019 -4.510 629 H GLY 85 H GLY 85 3.270 17.445 -2.619 630 HA2 GLY 85 1HA GLY 85 5.447 15.949 -2.773 631 HA3 GLY 85 2HA GLY 85 5.806 16.840 -1.302 632 HA PRO 86 HA PRO 86 3.306 12.961 -0.382 633 HB2 PRO 86 1HB PRO 86 5.180 11.748 1.163 634 HB3 PRO 86 2HB PRO 86 5.085 11.522 -0.587 635 HG2 PRO 86 1HG PRO 86 6.886 13.315 0.996 636 HG3 PRO 86 2HG PRO 86 7.273 12.286 -0.395 637 HD2 PRO 86 1HD PRO 86 6.878 14.955 -0.622 638 HD3 PRO 86 2HD PRO 86 6.452 13.813 -1.913 639 H GLY 87 H GLY 87 2.006 12.951 1.361 640 HA2 GLY 87 1HA GLY 87 2.650 14.784 3.551 641 HA3 GLY 87 2HA GLY 87 1.069 14.099 3.204 642 H VAL 88 H VAL 88 0.539 13.129 5.076 643 HA VAL 88 HA VAL 88 2.434 11.698 6.676 644 HB VAL 88 HB VAL 88 -0.582 11.778 6.836 645 HG11 VAL 88 1HG1 VAL 88 -0.045 11.060 9.252 646 HG12 VAL 88 2HG1 VAL 88 -0.002 9.835 7.982 647 HG13 VAL 88 3HG1 VAL 88 1.502 10.529 8.591 648 HG21 VAL 88 3HG2 VAL 88 1.154 13.824 7.291 649 HG22 VAL 88 1HG2 VAL 88 -0.422 13.651 8.065 650 HG23 VAL 88 2HG2 VAL 88 1.034 13.101 8.895 651 H SER 89 H SER 89 2.571 9.481 7.037 652 HA SER 89 HA SER 89 1.422 7.821 4.893 653 HB2 SER 89 1HB SER 89 3.318 6.286 5.285 654 HB3 SER 89 2HB SER 89 3.868 7.905 4.853 655 HG SER 89 HG SER 89 4.867 6.758 6.749 656 H THR 90 H THR 90 0.138 6.150 5.392 657 HA THR 90 HA THR 90 -1.007 5.898 7.933 658 HB THR 90 HB THR 90 -2.070 3.854 7.104 659 HG1 THR 90 1HG THR 90 -1.227 2.747 5.497 660 HG21 THR 90 3HG2 THR 90 -1.908 6.058 5.046 661 HG22 THR 90 1HG2 THR 90 -3.033 5.965 6.400 662 HG23 THR 90 2HG2 THR 90 -3.141 4.799 5.081 663 H ASP 91 H ASP 91 -1.089 3.761 9.151 664 HA ASP 91 HA ASP 91 1.571 3.127 10.008 665 HB2 ASP 91 1HB ASP 91 -1.102 1.968 10.824 666 HB3 ASP 91 2HB ASP 91 0.431 1.624 11.622 667 H ASP 92 H ASP 92 2.804 1.420 9.504 668 HA ASP 92 HA ASP 92 2.674 -0.038 7.267 669 HB2 ASP 92 1HB ASP 92 3.752 -0.750 9.970 670 HB3 ASP 92 2HB ASP 92 3.811 -1.939 8.672 671 H ILE 93 H ILE 93 1.054 -1.139 6.393 672 HA ILE 93 HA ILE 93 -0.909 -2.481 8.041 673 HB ILE 93 HB ILE 93 -0.683 -2.337 5.032 674 HG12 ILE 93 1HG1 ILE 93 -2.574 -0.823 6.834 675 HG13 ILE 93 2HG1 ILE 93 -1.032 -0.161 6.300 676 HG21 ILE 93 1HG2 ILE 93 -2.726 -3.380 4.855 677 HG22 ILE 93 2HG2 ILE 93 -2.017 -4.241 6.220 678 HG23 ILE 93 3HG2 ILE 93 -3.201 -2.965 6.501 679 HD11 ILE 93 3HD1 ILE 93 -2.064 0.602 4.503 680 HD12 ILE 93 1HD1 ILE 93 -2.308 -1.066 3.985 681 HD13 ILE 93 2HD1 ILE 93 -3.548 -0.248 4.936 682 H THR 94 H THR 94 -0.176 -4.326 8.936 683 HA THR 94 HA THR 94 1.476 -6.169 7.427 684 HB THR 94 HB THR 94 0.310 -6.570 10.185 685 HG1 THR 94 1HG THR 94 1.580 -4.719 10.246 686 HG21 THR 94 3HG2 THR 94 2.739 -7.785 8.865 687 HG22 THR 94 1HG2 THR 94 1.180 -8.587 9.040 688 HG23 THR 94 2HG2 THR 94 2.117 -8.159 10.471 689 H VAL 95 H VAL 95 0.605 -7.577 6.067 690 HA VAL 95 HA VAL 95 -1.902 -8.911 6.826 691 HB VAL 95 HB VAL 95 -1.266 -7.834 4.076 692 HG11 VAL 95 1HG1 VAL 95 -3.059 -9.941 4.983 693 HG12 VAL 95 2HG1 VAL 95 -3.886 -8.675 4.072 694 HG13 VAL 95 3HG1 VAL 95 -2.523 -9.534 3.353 695 HG21 VAL 95 3HG2 VAL 95 -2.064 -6.201 5.822 696 HG22 VAL 95 1HG2 VAL 95 -3.075 -6.328 4.382 697 HG23 VAL 95 2HG2 VAL 95 -3.570 -7.118 5.879 698 H VAL 96 H VAL 96 -1.295 -10.952 7.166 699 HA VAL 96 HA VAL 96 0.874 -12.169 5.713 700 HB VAL 96 HB VAL 96 -1.071 -13.461 7.630 701 HG11 VAL 96 1HG1 VAL 96 -0.067 -15.247 6.600 702 HG12 VAL 96 2HG1 VAL 96 1.424 -14.362 6.274 703 HG13 VAL 96 3HG1 VAL 96 1.080 -14.944 7.903 704 HG21 VAL 96 3HG2 VAL 96 1.432 -13.119 8.845 705 HG22 VAL 96 1HG2 VAL 96 1.044 -11.573 8.090 706 HG23 VAL 96 2HG2 VAL 96 -0.077 -12.298 9.243 707 H THR 97 H THR 97 0.606 -12.883 3.709 708 HA THR 97 HA THR 97 -1.728 -13.251 2.320 709 HB THR 97 HB THR 97 -0.380 -14.916 0.896 710 HG1 THR 97 1HG THR 97 1.600 -15.390 1.534 711 HG21 THR 97 3HG2 THR 97 1.147 -13.076 0.089 712 HG22 THR 97 1HG2 THR 97 0.554 -12.100 1.432 713 HG23 THR 97 2HG2 THR 97 -0.562 -12.652 0.183 714 H LEU 98 H LEU 98 -3.005 -15.038 1.749 715 HA LEU 98 HA LEU 98 -3.722 -16.766 3.809 716 HB2 LEU 98 1HB LEU 98 -4.155 -17.355 0.894 717 HB3 LEU 98 2HB LEU 98 -5.157 -17.838 2.260 718 HG LEU 98 HG LEU 98 -4.881 -15.077 1.081 719 HD11 LEU 98 1HD1 LEU 98 -7.201 -15.312 0.532 720 HD12 LEU 98 2HD1 LEU 98 -7.290 -16.863 1.365 721 HD13 LEU 98 3HD1 LEU 98 -6.332 -16.707 -0.107 722 HD21 LEU 98 3HD2 LEU 98 -5.487 -14.217 3.032 723 HD22 LEU 98 1HD2 LEU 98 -5.468 -15.821 3.765 724 HD23 LEU 98 2HD2 LEU 98 -6.944 -15.212 3.015 725 H SER 99 H SER 99 -3.923 -19.301 3.035 726 HA SER 99 HA SER 99 -1.249 -20.229 2.279 727 HB2 SER 99 1HB SER 99 -1.046 -20.313 4.629 728 HB3 SER 99 2HB SER 99 -2.703 -20.879 4.837 729 HG SER 99 HG SER 99 -1.050 -22.501 3.319 730 H ASP 100 H ASP 100 -1.691 -21.328 0.476 731 HA ASP 100 HA ASP 100 -4.084 -22.529 -0.235 732 HB2 ASP 100 1HB ASP 100 -2.218 -22.065 -1.799 733 HB3 ASP 100 2HB ASP 100 -1.311 -23.395 -1.082 734 H SER 101 H SER 101 -5.072 -23.860 1.193 735 HA SER 101 HA SER 101 -3.630 -26.323 1.923 736 HB2 SER 101 1HB SER 101 -5.276 -24.491 3.612 737 HB3 SER 101 2HB SER 101 -5.336 -26.220 3.952 738 HG SER 101 HG SER 101 -2.825 -25.068 3.597 739 H GLY 102 H GLY 102 -4.568 -27.245 -0.001 740 HA2 GLY 102 1HA GLY 102 -6.176 -29.037 -0.357 741 HA3 GLY 102 2HA GLY 102 -7.382 -28.027 0.428 742 HA PRO 103 HA PRO 103 -6.891 -27.263 -4.331 743 HB2 PRO 103 1HB PRO 103 -8.228 -29.352 -5.434 744 HB3 PRO 103 2HB PRO 103 -6.481 -29.364 -5.166 745 HG2 PRO 103 1HG PRO 103 -8.659 -30.587 -3.516 746 HG3 PRO 103 2HG PRO 103 -7.087 -31.267 -3.975 747 HD2 PRO 103 1HD PRO 103 -7.551 -30.187 -1.536 748 HD3 PRO 103 2HD PRO 103 -5.964 -30.109 -2.328 749 H SER 104 H SER 104 -8.663 -26.666 -5.757 750 HA SER 104 HA SER 104 -11.034 -25.957 -4.241 751 HB2 SER 104 1HB SER 104 -10.030 -25.196 -6.984 752 HB3 SER 104 2HB SER 104 -11.611 -24.700 -6.381 753 HG SER 104 HG SER 104 -9.597 -24.221 -4.602 754 H SER 105 H SER 105 -13.058 -26.725 -4.560 755 HA SER 105 HA SER 105 -13.324 -28.978 -6.430 756 HB2 SER 105 1HB SER 105 -13.706 -29.465 -4.021 757 HB3 SER 105 2HB SER 105 -15.039 -28.311 -4.025 758 HG SER 105 HG SER 105 -15.567 -29.862 -6.012 759 H GLY 106 H GLY 106 -14.076 -28.195 -8.317 760 HA2 GLY 106 1HA GLY 106 -16.723 -27.514 -8.693 761 HA3 GLY 106 2HA GLY 106 -15.873 -25.988 -8.504 Start of MODEL 6 1 H1 GLY 1 H GLY 1 14.068 22.615 5.472 2 HA2 GLY 1 1HA GLY 1 13.869 24.624 3.387 3 HA3 GLY 1 2HA GLY 1 13.765 22.882 3.174 4 H SER 2 H SER 2 11.914 25.327 4.999 5 HA SER 2 HA SER 2 9.454 24.083 3.977 6 HB2 SER 2 1HB SER 2 10.126 25.573 6.483 7 HB3 SER 2 2HB SER 2 8.467 25.615 5.887 8 HG SER 2 HG SER 2 9.055 23.859 7.393 9 H SER 3 H SER 3 9.660 25.180 1.936 10 HA SER 3 HA SER 3 9.273 28.083 2.013 11 HB2 SER 3 1HB SER 3 9.755 28.032 -0.389 12 HB3 SER 3 2HB SER 3 11.028 27.208 0.512 13 HG SER 3 HG SER 3 8.913 25.637 -0.361 14 H GLY 4 H GLY 4 7.069 27.458 2.947 15 HA2 GLY 4 1HA GLY 4 4.796 27.650 2.611 16 HA3 GLY 4 2HA GLY 4 5.118 27.847 0.895 17 H SER 5 H SER 5 5.950 25.700 -0.144 18 HA SER 5 HA SER 5 3.977 23.936 -0.480 19 HB2 SER 5 1HB SER 5 5.717 22.178 -0.970 20 HB3 SER 5 2HB SER 5 5.986 23.722 -1.780 21 HG SER 5 HG SER 5 7.700 22.461 -0.324 22 H SER 6 H SER 6 3.320 21.918 0.355 23 HA SER 6 HA SER 6 4.386 21.009 2.888 24 HB2 SER 6 1HB SER 6 1.699 22.324 2.639 25 HB3 SER 6 2HB SER 6 1.950 21.048 3.830 26 HG SER 6 HG SER 6 2.632 23.612 3.993 27 H GLY 7 H GLY 7 2.898 19.118 3.707 28 HA2 GLY 7 1HA GLY 7 2.322 17.460 1.335 29 HA3 GLY 7 2HA GLY 7 2.868 16.836 2.885 30 HA PRO 8 HA PRO 8 -1.916 17.129 2.433 31 HB2 PRO 8 1HB PRO 8 -2.484 14.700 1.361 32 HB3 PRO 8 2HB PRO 8 -2.226 16.147 0.379 33 HG2 PRO 8 1HG PRO 8 -0.325 13.922 1.009 34 HG3 PRO 8 2HG PRO 8 -0.613 14.744 -0.536 35 HD2 PRO 8 1HD PRO 8 1.499 15.330 1.054 36 HD3 PRO 8 2HD PRO 8 0.706 16.546 0.033 37 H GLY 9 H GLY 9 -3.483 15.362 3.342 38 HA2 GLY 9 1HA GLY 9 -2.188 14.304 5.751 39 HA3 GLY 9 2HA GLY 9 -3.909 14.593 5.548 40 HA PRO 10 HA PRO 10 -2.903 10.036 5.016 41 HB2 PRO 10 1HB PRO 10 -4.480 9.151 7.041 42 HB3 PRO 10 2HB PRO 10 -2.789 9.613 7.272 43 HG2 PRO 10 1HG PRO 10 -5.275 11.186 7.826 44 HG3 PRO 10 2HG PRO 10 -3.809 11.026 8.811 45 HD2 PRO 10 1HD PRO 10 -4.285 13.185 7.247 46 HD3 PRO 10 2HD PRO 10 -2.648 12.574 7.559 47 H VAL 11 H VAL 11 -4.154 8.742 3.777 48 HA VAL 11 HA VAL 11 -6.542 9.712 2.652 49 HB VAL 11 HB VAL 11 -6.761 7.494 1.607 50 HG11 VAL 11 1HG1 VAL 11 -4.843 7.635 0.241 51 HG12 VAL 11 2HG1 VAL 11 -5.154 9.281 0.796 52 HG13 VAL 11 3HG1 VAL 11 -3.872 8.325 1.541 53 HG21 VAL 11 3HG2 VAL 11 -4.574 6.039 2.164 54 HG22 VAL 11 1HG2 VAL 11 -4.852 6.776 3.742 55 HG23 VAL 11 2HG2 VAL 11 -6.120 5.814 2.982 56 H GLU 12 H GLU 12 -8.464 7.955 2.523 57 HA GLU 12 HA GLU 12 -9.201 7.281 5.292 58 HB2 GLU 12 1HB GLU 12 -11.163 8.300 3.244 59 HB3 GLU 12 2HB GLU 12 -11.415 8.089 4.971 60 HG2 GLU 12 1HG GLU 12 -9.421 9.833 5.086 61 HG3 GLU 12 2HG GLU 12 -10.057 10.269 3.501 62 H ASN 13 H ASN 13 -11.242 5.818 5.260 63 HA ASN 13 HA ASN 13 -11.805 3.610 4.934 64 HB2 ASN 13 1HB ASN 13 -12.196 4.989 2.291 65 HB3 ASN 13 2HB ASN 13 -12.615 3.290 2.488 66 HD21 ASN 13 1HD2 ASN 13 -13.651 6.456 2.836 67 HD22 ASN 13 2HD2 ASN 13 -15.082 6.159 3.757 68 H LEU 14 H LEU 14 -9.106 3.677 5.075 69 HA LEU 14 HA LEU 14 -8.041 2.250 2.762 70 HB2 LEU 14 1HB LEU 14 -6.618 3.958 3.602 71 HB3 LEU 14 2HB LEU 14 -6.778 3.365 5.254 72 HG LEU 14 HG LEU 14 -5.647 1.211 4.170 73 HD11 LEU 14 1HD1 LEU 14 -5.124 3.430 2.281 74 HD12 LEU 14 2HD1 LEU 14 -5.228 1.693 1.995 75 HD13 LEU 14 3HD1 LEU 14 -3.766 2.385 2.697 76 HD21 LEU 14 3HD2 LEU 14 -4.893 3.188 5.902 77 HD22 LEU 14 1HD2 LEU 14 -3.640 3.277 4.664 78 HD23 LEU 14 2HD2 LEU 14 -3.939 1.757 5.509 79 H GLN 15 H GLN 15 -7.877 0.110 2.685 80 HA GLN 15 HA GLN 15 -7.396 -1.472 5.036 81 HB2 GLN 15 1HB GLN 15 -10.080 -1.461 3.696 82 HB3 GLN 15 2HB GLN 15 -9.479 -2.926 4.460 83 HG2 GLN 15 1HG GLN 15 -9.142 -1.525 6.546 84 HG3 GLN 15 2HG GLN 15 -10.100 -0.285 5.738 85 HE21 GLN 15 1HE2 GLN 15 -12.161 -0.304 6.233 86 HE22 GLN 15 2HE2 GLN 15 -13.088 -1.682 6.709 87 H ALA 16 H ALA 16 -6.405 -3.362 4.546 88 HA ALA 16 HA ALA 16 -6.351 -4.172 1.713 89 HB1 ALA 16 3HB ALA 16 -4.213 -3.106 3.118 90 HB2 ALA 16 1HB ALA 16 -3.917 -4.845 3.130 91 HB3 ALA 16 2HB ALA 16 -4.135 -3.997 1.598 92 H VAL 17 H VAL 17 -6.558 -6.310 1.296 93 HA VAL 17 HA VAL 17 -6.162 -8.292 3.365 94 HB VAL 17 HB VAL 17 -8.553 -9.209 2.807 95 HG11 VAL 17 1HG1 VAL 17 -7.594 -8.392 5.015 96 HG12 VAL 17 2HG1 VAL 17 -8.387 -6.855 4.668 97 HG13 VAL 17 3HG1 VAL 17 -9.347 -8.325 4.838 98 HG21 VAL 17 3HG2 VAL 17 -8.751 -7.081 1.229 99 HG22 VAL 17 1HG2 VAL 17 -10.147 -7.761 2.066 100 HG23 VAL 17 2HG2 VAL 17 -9.327 -6.345 2.725 101 H SER 18 H SER 18 -5.670 -10.260 2.539 102 HA SER 18 HA SER 18 -5.468 -10.448 -0.361 103 HB2 SER 18 1HB SER 18 -3.500 -11.008 1.024 104 HB3 SER 18 2HB SER 18 -4.416 -12.308 1.786 105 HG SER 18 HG SER 18 -3.556 -12.098 -0.899 106 H THR 19 H THR 19 -6.711 -11.703 -1.602 107 HA THR 19 HA THR 19 -8.649 -13.468 -0.257 108 HB THR 19 HB THR 19 -10.205 -13.074 -1.972 109 HG1 THR 19 1HG THR 19 -9.225 -11.585 -3.794 110 HG21 THR 19 3HG2 THR 19 -10.010 -11.148 -0.512 111 HG22 THR 19 1HG2 THR 19 -10.354 -10.612 -2.156 112 HG23 THR 19 2HG2 THR 19 -8.717 -10.486 -1.511 113 H SER 20 H SER 20 -5.883 -14.138 -1.077 114 HA SER 20 HA SER 20 -6.399 -16.686 -2.189 115 HB2 SER 20 1HB SER 20 -5.842 -14.529 -4.067 116 HB3 SER 20 2HB SER 20 -4.667 -15.837 -4.193 117 HG SER 20 HG SER 20 -6.528 -17.269 -4.316 118 HA PRO 21 HA PRO 21 -2.485 -17.997 -0.711 119 HB2 PRO 21 1HB PRO 21 -1.463 -18.284 -3.499 120 HB3 PRO 21 2HB PRO 21 -1.454 -19.450 -2.171 121 HG2 PRO 21 1HG PRO 21 -3.211 -19.642 -4.186 122 HG3 PRO 21 2HG PRO 21 -3.650 -20.072 -2.523 123 HD2 PRO 21 1HD PRO 21 -4.419 -17.719 -4.135 124 HD3 PRO 21 2HD PRO 21 -5.292 -18.536 -2.822 125 H THR 22 H THR 22 -2.012 -16.006 -3.634 126 HA THR 22 HA THR 22 -0.134 -14.341 -2.106 127 HB THR 22 HB THR 22 1.382 -14.180 -4.006 128 HG1 THR 22 1HG THR 22 -0.521 -14.855 -5.485 129 HG21 THR 22 3HG2 THR 22 1.799 -15.941 -2.359 130 HG22 THR 22 1HG2 THR 22 2.300 -16.451 -3.970 131 HG23 THR 22 2HG2 THR 22 0.791 -17.053 -3.284 132 H SER 23 H SER 23 -1.661 -12.707 -1.915 133 HA SER 23 HA SER 23 -1.845 -10.918 -4.127 134 HB2 SER 23 1HB SER 23 -4.385 -10.896 -4.157 135 HB3 SER 23 2HB SER 23 -3.627 -12.301 -4.905 136 HG SER 23 HG SER 23 -5.266 -12.158 -2.732 137 H ILE 24 H ILE 24 -3.351 -9.020 -3.534 138 HA ILE 24 HA ILE 24 -3.886 -8.606 -0.749 139 HB ILE 24 HB ILE 24 -1.604 -7.083 -2.010 140 HG12 ILE 24 1HG1 ILE 24 -1.771 -9.061 0.263 141 HG13 ILE 24 2HG1 ILE 24 -0.815 -9.187 -1.210 142 HG21 ILE 24 1HG2 ILE 24 -2.621 -5.437 -0.775 143 HG22 ILE 24 2HG2 ILE 24 -3.266 -6.572 0.409 144 HG23 ILE 24 3HG2 ILE 24 -1.555 -6.147 0.437 145 HD11 ILE 24 3HD1 ILE 24 0.753 -8.634 0.388 146 HD12 ILE 24 1HD1 ILE 24 0.374 -7.072 -0.338 147 HD13 ILE 24 2HD1 ILE 24 -0.333 -7.517 1.216 148 H LEU 25 H LEU 25 -5.866 -7.789 -1.082 149 HA LEU 25 HA LEU 25 -6.344 -5.868 -3.206 150 HB2 LEU 25 1HB LEU 25 -7.911 -7.764 -2.547 151 HB3 LEU 25 2HB LEU 25 -8.315 -6.791 -1.134 152 HG LEU 25 HG LEU 25 -9.130 -5.006 -2.631 153 HD11 LEU 25 1HD1 LEU 25 -7.734 -5.521 -4.572 154 HD12 LEU 25 2HD1 LEU 25 -9.443 -5.460 -5.000 155 HD13 LEU 25 3HD1 LEU 25 -8.635 -7.017 -4.823 156 HD21 LEU 25 3HD2 LEU 25 -10.956 -6.171 -1.992 157 HD22 LEU 25 1HD2 LEU 25 -10.280 -7.721 -2.494 158 HD23 LEU 25 2HD2 LEU 25 -10.983 -6.635 -3.694 159 H ILE 26 H ILE 26 -5.521 -3.905 -2.727 160 HA ILE 26 HA ILE 26 -5.974 -2.774 -0.067 161 HB ILE 26 HB ILE 26 -4.411 -1.510 -2.312 162 HG12 ILE 26 1HG1 ILE 26 -3.069 -2.991 -0.091 163 HG13 ILE 26 2HG1 ILE 26 -3.714 -3.913 -1.444 164 HG21 ILE 26 1HG2 ILE 26 -4.951 0.045 -0.596 165 HG22 ILE 26 2HG2 ILE 26 -4.503 -1.099 0.668 166 HG23 ILE 26 3HG2 ILE 26 -3.261 -0.406 -0.374 167 HD11 ILE 26 3HD1 ILE 26 -2.241 -1.717 -2.477 168 HD12 ILE 26 1HD1 ILE 26 -1.259 -2.537 -1.264 169 HD13 ILE 26 2HD1 ILE 26 -1.913 -3.443 -2.629 170 H THR 27 H THR 27 -7.879 -1.801 0.169 171 HA THR 27 HA THR 27 -8.935 -0.199 -2.064 172 HB THR 27 HB THR 27 -11.135 -0.390 -1.009 173 HG1 THR 27 1HG THR 27 -10.312 -0.618 1.177 174 HG21 THR 27 3HG2 THR 27 -11.479 -2.316 -2.086 175 HG22 THR 27 1HG2 THR 27 -10.517 -3.217 -0.915 176 HG23 THR 27 2HG2 THR 27 -9.730 -2.429 -2.283 177 H TRP 28 H TRP 28 -8.108 1.807 -1.776 178 HA TRP 28 HA TRP 28 -8.457 3.053 0.870 179 HB2 TRP 28 1HB TRP 28 -6.655 4.573 0.288 180 HB3 TRP 28 2HB TRP 28 -6.113 2.911 0.073 181 HD1 TRP 28 HD TRP 28 -6.499 6.152 -1.765 182 HE1 TRP 28 1HE TRP 28 -5.751 5.860 -4.211 183 HE3 TRP 28 3HE TRP 28 -6.135 1.054 -1.902 184 HZ2 TRP 28 2HZ TRP 28 -5.094 3.749 -5.966 185 HZ3 TRP 28 3HZ TRP 28 -5.441 -0.023 -4.002 186 HH2 TRP 28 HH TRP 28 -4.933 1.298 -5.991 187 H GLU 29 H GLU 29 -8.514 5.608 0.517 188 HA GLU 29 HA GLU 29 -10.231 6.318 -1.729 189 HB2 GLU 29 1HB GLU 29 -11.094 6.204 1.116 190 HB3 GLU 29 2HB GLU 29 -11.652 7.566 0.155 191 HG2 GLU 29 1HG GLU 29 -12.376 5.771 -1.550 192 HG3 GLU 29 2HG GLU 29 -12.220 4.654 -0.196 193 HA PRO 30 HA PRO 30 -8.184 10.193 -1.574 194 HB2 PRO 30 1HB PRO 30 -10.159 11.943 -2.211 195 HB3 PRO 30 2HB PRO 30 -9.444 10.833 -3.386 196 HG2 PRO 30 1HG PRO 30 -12.006 10.582 -1.858 197 HG3 PRO 30 2HG PRO 30 -11.681 10.226 -3.565 198 HD2 PRO 30 1HD PRO 30 -11.813 8.293 -1.674 199 HD3 PRO 30 2HD PRO 30 -10.750 8.172 -3.090 200 HA PRO 31 HA PRO 31 -8.860 11.647 2.585 201 HB2 PRO 31 1HB PRO 31 -6.821 13.439 2.603 202 HB3 PRO 31 2HB PRO 31 -6.570 11.697 2.771 203 HG2 PRO 31 1HG PRO 31 -6.280 13.427 0.346 204 HG3 PRO 31 2HG PRO 31 -5.225 12.124 0.923 205 HD2 PRO 31 1HD PRO 31 -7.019 11.770 -1.075 206 HD3 PRO 31 2HD PRO 31 -6.580 10.473 0.055 207 H ALA 32 H ALA 32 -10.032 13.275 3.445 208 HA ALA 32 HA ALA 32 -11.024 15.332 1.669 209 HB1 ALA 32 3HB ALA 32 -12.833 15.273 2.961 210 HB2 ALA 32 1HB ALA 32 -12.075 13.943 3.838 211 HB3 ALA 32 2HB ALA 32 -11.886 15.600 4.412 212 H TYR 33 H TYR 33 -9.120 15.153 4.651 213 HA TYR 33 HA TYR 33 -8.728 18.032 4.663 214 HB2 TYR 33 1HB TYR 33 -7.205 17.342 6.677 215 HB3 TYR 33 2HB TYR 33 -8.956 17.280 6.843 216 HD1 TYR 33 2HD TYR 33 -6.184 15.048 5.682 217 HD2 TYR 33 1HD TYR 33 -9.822 15.406 7.860 218 HE1 TYR 33 2HE TYR 33 -6.033 12.675 6.313 219 HE2 TYR 33 1HE TYR 33 -9.680 13.035 8.497 220 HH TYR 33 HH TYR 33 -7.340 10.891 7.094 221 H ALA 34 H ALA 34 -7.721 16.887 2.362 222 HA ALA 34 HA ALA 34 -4.823 16.709 2.762 223 HB1 ALA 34 3HB ALA 34 -4.883 15.194 1.145 224 HB2 ALA 34 1HB ALA 34 -6.630 15.405 1.022 225 HB3 ALA 34 2HB ALA 34 -5.551 16.384 0.028 226 H ASN 35 H ASN 35 -3.419 18.210 2.011 227 HA ASN 35 HA ASN 35 -4.352 20.818 1.457 228 HB2 ASN 35 1HB ASN 35 -2.109 20.111 2.486 229 HB3 ASN 35 2HB ASN 35 -1.572 19.836 0.832 230 HD21 ASN 35 1HD2 ASN 35 -0.305 21.645 2.438 231 HD22 ASN 35 2HD2 ASN 35 -0.604 23.246 1.861 232 H GLY 36 H GLY 36 -5.648 20.889 -0.351 233 HA2 GLY 36 1HA GLY 36 -5.983 21.335 -2.596 234 HA3 GLY 36 2HA GLY 36 -4.277 21.018 -2.874 235 HA PRO 37 HA PRO 37 -6.573 17.587 -4.894 236 HB2 PRO 37 1HB PRO 37 -4.893 17.431 -7.021 237 HB3 PRO 37 2HB PRO 37 -6.248 18.563 -6.948 238 HG2 PRO 37 1HG PRO 37 -3.344 19.047 -6.405 239 HG3 PRO 37 2HG PRO 37 -4.496 20.050 -7.306 240 HD2 PRO 37 1HD PRO 37 -3.785 20.587 -4.749 241 HD3 PRO 37 2HD PRO 37 -5.400 20.956 -5.389 242 H VAL 38 H VAL 38 -5.434 15.552 -5.974 243 HA VAL 38 HA VAL 38 -3.085 14.794 -4.379 244 HB VAL 38 HB VAL 38 -5.561 13.099 -4.730 245 HG11 VAL 38 1HG1 VAL 38 -4.451 11.297 -3.919 246 HG12 VAL 38 2HG1 VAL 38 -3.075 12.115 -4.663 247 HG13 VAL 38 3HG1 VAL 38 -3.365 12.272 -2.930 248 HG21 VAL 38 3HG2 VAL 38 -5.610 14.985 -3.030 249 HG22 VAL 38 1HG2 VAL 38 -5.950 13.366 -2.419 250 HG23 VAL 38 2HG2 VAL 38 -4.366 14.093 -2.155 251 H GLN 39 H GLN 39 -1.701 14.850 -6.115 252 HA GLN 39 HA GLN 39 -2.006 14.160 -8.700 253 HB2 GLN 39 1HB GLN 39 0.299 13.702 -6.834 254 HB3 GLN 39 2HB GLN 39 0.400 13.184 -8.511 255 HG2 GLN 39 1HG GLN 39 -0.349 15.991 -7.786 256 HG3 GLN 39 2HG GLN 39 1.334 15.480 -7.891 257 HE21 GLN 39 1HE2 GLN 39 -0.191 17.402 -9.502 258 HE22 GLN 39 2HE2 GLN 39 -0.037 16.869 -11.138 259 H GLY 40 H GLY 40 -1.550 11.882 -6.028 260 HA2 GLY 40 1HA GLY 40 -3.080 9.843 -7.148 261 HA3 GLY 40 2HA GLY 40 -1.415 9.548 -7.628 262 H TYR 41 H TYR 41 -0.941 7.777 -6.437 263 HA TYR 41 HA TYR 41 -0.636 8.164 -3.580 264 HB2 TYR 41 1HB TYR 41 -2.180 5.766 -4.571 265 HB3 TYR 41 2HB TYR 41 -1.898 6.248 -2.902 266 HD1 TYR 41 1HD TYR 41 -3.789 6.999 -5.969 267 HD2 TYR 41 2HD TYR 41 -3.251 7.933 -1.853 268 HE1 TYR 41 1HE TYR 41 -5.908 8.248 -5.981 269 HE2 TYR 41 2HE TYR 41 -5.369 9.183 -1.853 270 HH TYR 41 HH TYR 41 -7.670 8.905 -3.674 271 H ARG 42 H ARG 42 1.058 7.042 -2.750 272 HA ARG 42 HA ARG 42 2.477 5.244 -4.604 273 HB2 ARG 42 1HB ARG 42 3.464 7.543 -3.706 274 HB3 ARG 42 2HB ARG 42 3.891 6.542 -2.324 275 HG2 ARG 42 1HG ARG 42 5.066 4.999 -3.869 276 HG3 ARG 42 2HG ARG 42 4.730 6.128 -5.184 277 HD2 ARG 42 1HD ARG 42 6.034 7.178 -2.728 278 HD3 ARG 42 2HD ARG 42 7.002 6.196 -3.827 279 HE ARG 42 HE ARG 42 6.923 7.894 -5.386 280 HH11 ARG 42 1HH1 ARG 42 4.744 8.576 -2.758 281 HH12 ARG 42 2HH1 ARG 42 4.463 10.215 -3.244 282 HH21 ARG 42 1HH2 ARG 42 6.562 10.050 -6.036 283 HH22 ARG 42 2HH2 ARG 42 5.497 11.052 -5.109 284 H LEU 43 H LEU 43 2.646 3.186 -4.022 285 HA LEU 43 HA LEU 43 2.094 2.471 -1.225 286 HB2 LEU 43 1HB LEU 43 0.531 1.388 -2.565 287 HB3 LEU 43 2HB LEU 43 1.711 1.044 -3.828 288 HG LEU 43 HG LEU 43 2.773 -0.497 -1.991 289 HD11 LEU 43 1HD1 LEU 43 1.452 -1.215 -0.279 290 HD12 LEU 43 2HD1 LEU 43 -0.048 -0.851 -1.132 291 HD13 LEU 43 3HD1 LEU 43 0.889 0.452 -0.401 292 HD21 LEU 43 3HD2 LEU 43 1.162 -0.889 -4.193 293 HD22 LEU 43 1HD2 LEU 43 0.348 -1.802 -2.923 294 HD23 LEU 43 2HD2 LEU 43 2.036 -2.140 -3.307 295 H PHE 44 H PHE 44 3.418 1.024 -0.121 296 HA PHE 44 HA PHE 44 5.981 0.366 -1.407 297 HB2 PHE 44 1HB PHE 44 5.753 1.241 1.472 298 HB3 PHE 44 2HB PHE 44 7.219 1.022 0.521 299 HD1 PHE 44 1HD PHE 44 4.330 3.192 1.138 300 HD2 PHE 44 2HD PHE 44 7.984 2.715 -0.991 301 HE1 PHE 44 1HE PHE 44 4.282 5.575 0.528 302 HE2 PHE 44 2HE PHE 44 7.943 5.097 -1.604 303 HZ PHE 44 HZ PHE 44 6.090 6.531 -0.844 304 H CYS 45 H CYS 45 6.261 -1.755 -1.424 305 HA CYS 45 HA CYS 45 5.001 -3.366 0.690 306 HB2 CYS 45 1HB CYS 45 4.193 -3.955 -1.507 307 HB3 CYS 45 2HB CYS 45 5.835 -4.099 -2.121 308 HG CYS 45 HG CYS 45 6.440 -6.446 -0.963 309 H THR 46 H THR 46 6.285 -4.221 2.173 310 HA THR 46 HA THR 46 9.093 -4.770 1.463 311 HB THR 46 HB THR 46 8.071 -3.775 4.131 312 HG1 THR 46 1HG THR 46 8.180 -2.087 2.646 313 HG21 THR 46 3HG2 THR 46 10.845 -3.530 4.005 314 HG22 THR 46 1HG2 THR 46 10.505 -5.134 3.358 315 HG23 THR 46 2HG2 THR 46 9.929 -4.691 4.965 316 H GLU 47 H GLU 47 9.806 -6.771 1.871 317 HA GLU 47 HA GLU 47 7.962 -8.684 3.039 318 HB2 GLU 47 1HB GLU 47 9.232 -9.161 0.935 319 HB3 GLU 47 2HB GLU 47 10.711 -9.171 1.885 320 HG2 GLU 47 1HG GLU 47 9.639 -10.998 3.273 321 HG3 GLU 47 2HG GLU 47 8.409 -11.091 2.013 322 H VAL 48 H VAL 48 7.945 -8.346 5.228 323 HA VAL 48 HA VAL 48 9.973 -7.698 6.935 324 HB VAL 48 HB VAL 48 7.792 -9.708 7.514 325 HG11 VAL 48 1HG1 VAL 48 8.617 -9.852 9.569 326 HG12 VAL 48 2HG1 VAL 48 9.967 -8.819 9.095 327 HG13 VAL 48 3HG1 VAL 48 8.496 -8.102 9.754 328 HG21 VAL 48 3HG2 VAL 48 7.008 -7.514 6.622 329 HG22 VAL 48 1HG2 VAL 48 6.461 -7.861 8.262 330 HG23 VAL 48 2HG2 VAL 48 7.789 -6.731 7.996 331 H SER 49 H SER 49 9.275 -10.863 5.560 332 HA SER 49 HA SER 49 10.910 -12.465 7.120 333 HB2 SER 49 1HB SER 49 9.302 -13.128 5.217 334 HB3 SER 49 2HB SER 49 10.672 -12.851 4.141 335 HG SER 49 HG SER 49 11.525 -14.333 6.162 336 H THR 50 H THR 50 11.782 -11.032 3.970 337 HA THR 50 HA THR 50 14.595 -11.507 4.498 338 HB THR 50 HB THR 50 14.965 -10.577 2.240 339 HG1 THR 50 1HG THR 50 13.325 -9.726 1.089 340 HG21 THR 50 3HG2 THR 50 12.911 -12.333 1.378 341 HG22 THR 50 1HG2 THR 50 13.536 -12.951 2.907 342 HG23 THR 50 2HG2 THR 50 14.633 -12.669 1.555 343 H GLY 51 H GLY 51 12.579 -8.666 3.705 344 HA2 GLY 51 1HA GLY 51 12.833 -6.713 5.203 345 HA3 GLY 51 2HA GLY 51 14.564 -7.016 5.147 346 H LYS 52 H LYS 52 13.072 -7.575 2.171 347 HA LYS 52 HA LYS 52 14.323 -5.214 1.051 348 HB2 LYS 52 1HB LYS 52 13.010 -7.656 -0.108 349 HB3 LYS 52 2HB LYS 52 13.370 -6.264 -1.122 350 HG2 LYS 52 1HG LYS 52 15.760 -6.468 -0.241 351 HG3 LYS 52 2HG LYS 52 15.274 -8.067 0.329 352 HD2 LYS 52 1HD LYS 52 14.705 -7.306 -2.498 353 HD3 LYS 52 2HD LYS 52 16.354 -7.748 -2.048 354 HE2 LYS 52 1HE LYS 52 15.764 -9.917 -1.510 355 HE3 LYS 52 2HE LYS 52 14.074 -9.499 -1.233 356 HZ1 LYS 52 3HZ LYS 52 14.193 -10.703 -3.253 357 HZ2 LYS 52 1HZ LYS 52 15.462 -9.751 -3.842 358 HZ3 LYS 52 2HZ LYS 52 13.915 -9.088 -3.674 359 H GLU 53 H GLU 53 13.316 -3.426 0.333 360 HA GLU 53 HA GLU 53 10.377 -3.366 0.527 361 HB2 GLU 53 1HB GLU 53 11.402 -1.908 2.163 362 HB3 GLU 53 2HB GLU 53 12.396 -1.155 0.924 363 HG2 GLU 53 1HG GLU 53 10.288 -0.360 -0.161 364 HG3 GLU 53 2HG GLU 53 9.416 -0.948 1.253 365 H GLN 54 H GLN 54 9.199 -2.729 -1.190 366 HA GLN 54 HA GLN 54 10.644 -1.694 -3.538 367 HB2 GLN 54 1HB GLN 54 9.381 -3.077 -5.003 368 HB3 GLN 54 2HB GLN 54 9.994 -4.124 -3.731 369 HG2 GLN 54 1HG GLN 54 7.834 -4.080 -2.625 370 HG3 GLN 54 2HG GLN 54 7.212 -2.983 -3.857 371 HE21 GLN 54 1HE2 GLN 54 6.370 -5.693 -3.043 372 HE22 GLN 54 2HE2 GLN 54 6.396 -6.636 -4.490 373 H ASN 55 H ASN 55 9.814 0.089 -4.431 374 HA ASN 55 HA ASN 55 7.315 1.133 -3.330 375 HB2 ASN 55 1HB ASN 55 9.290 2.564 -5.115 376 HB3 ASN 55 2HB ASN 55 8.019 3.285 -4.132 377 HD21 ASN 55 1HD2 ASN 55 10.548 4.205 -3.904 378 HD22 ASN 55 2HD2 ASN 55 11.223 3.736 -2.385 379 H ILE 56 H ILE 56 5.489 1.320 -4.477 380 HA ILE 56 HA ILE 56 5.621 0.973 -7.395 381 HB ILE 56 HB ILE 56 3.613 -0.351 -5.567 382 HG12 ILE 56 1HG1 ILE 56 5.639 -1.653 -7.390 383 HG13 ILE 56 2HG1 ILE 56 5.943 -1.347 -5.683 384 HG21 ILE 56 1HG2 ILE 56 3.842 -0.799 -8.519 385 HG22 ILE 56 2HG2 ILE 56 2.493 -1.152 -7.440 386 HG23 ILE 56 3HG2 ILE 56 2.862 0.517 -7.873 387 HD11 ILE 56 3HD1 ILE 56 5.258 -3.601 -5.893 388 HD12 ILE 56 1HD1 ILE 56 3.912 -2.717 -5.176 389 HD13 ILE 56 2HD1 ILE 56 3.869 -3.156 -6.884 390 H GLU 57 H GLU 57 4.187 2.168 -8.587 391 HA GLU 57 HA GLU 57 2.566 4.104 -7.071 392 HB2 GLU 57 1HB GLU 57 4.224 4.328 -9.524 393 HB3 GLU 57 2HB GLU 57 2.737 5.265 -9.482 394 HG2 GLU 57 1HG GLU 57 3.607 6.032 -7.155 395 HG3 GLU 57 2HG GLU 57 5.168 5.495 -7.773 396 H VAL 58 H VAL 58 0.532 3.372 -7.013 397 HA VAL 58 HA VAL 58 -0.634 2.255 -9.473 398 HB VAL 58 HB VAL 58 -2.311 1.199 -8.112 399 HG11 VAL 58 1HG1 VAL 58 0.438 0.831 -6.925 400 HG12 VAL 58 2HG1 VAL 58 -0.913 -0.288 -6.732 401 HG13 VAL 58 3HG1 VAL 58 -0.221 -0.007 -8.330 402 HG21 VAL 58 3HG2 VAL 58 -2.913 1.893 -6.080 403 HG22 VAL 58 1HG2 VAL 58 -1.253 1.823 -5.487 404 HG23 VAL 58 2HG2 VAL 58 -1.830 3.263 -6.326 405 H ASP 59 H ASP 59 -2.985 2.739 -9.789 406 HA ASP 59 HA ASP 59 -3.701 5.435 -8.861 407 HB2 ASP 59 1HB ASP 59 -4.100 6.253 -10.977 408 HB3 ASP 59 2HB ASP 59 -2.738 5.186 -11.308 409 H GLY 60 H GLY 60 -6.059 5.929 -9.373 410 HA2 GLY 60 1HA GLY 60 -8.293 5.197 -9.624 411 HA3 GLY 60 2HA GLY 60 -7.746 3.538 -9.431 412 H LEU 61 H LEU 61 -8.937 2.811 -7.765 413 HA LEU 61 HA LEU 61 -8.743 4.302 -5.232 414 HB2 LEU 61 1HB LEU 61 -11.087 3.074 -6.579 415 HB3 LEU 61 2HB LEU 61 -11.005 2.976 -4.821 416 HG LEU 61 HG LEU 61 -10.856 5.568 -6.352 417 HD11 LEU 61 1HD1 LEU 61 -13.278 4.550 -4.907 418 HD12 LEU 61 2HD1 LEU 61 -13.016 4.225 -6.620 419 HD13 LEU 61 3HD1 LEU 61 -13.148 5.888 -6.048 420 HD21 LEU 61 3HD2 LEU 61 -10.280 4.916 -3.697 421 HD22 LEU 61 1HD2 LEU 61 -11.873 5.673 -3.662 422 HD23 LEU 61 2HD2 LEU 61 -10.507 6.527 -4.380 423 H SER 62 H SER 62 -8.720 1.229 -6.874 424 HA SER 62 HA SER 62 -7.627 -0.005 -4.443 425 HB2 SER 62 1HB SER 62 -8.857 -2.124 -5.093 426 HB3 SER 62 2HB SER 62 -9.874 -0.817 -4.488 427 HG SER 62 HG SER 62 -10.506 -1.980 -6.521 428 H TYR 63 H TYR 63 -6.320 -1.916 -4.861 429 HA TYR 63 HA TYR 63 -5.445 -2.338 -7.602 430 HB2 TYR 63 1HB TYR 63 -4.027 -0.487 -6.829 431 HB3 TYR 63 2HB TYR 63 -3.530 -1.442 -5.437 432 HD1 TYR 63 2HD TYR 63 -2.154 -3.504 -5.798 433 HD2 TYR 63 1HD TYR 63 -2.980 -0.756 -8.939 434 HE1 TYR 63 2HE TYR 63 -0.293 -4.445 -7.102 435 HE2 TYR 63 1HE TYR 63 -1.122 -1.689 -10.252 436 HH TYR 63 HH TYR 63 0.769 -4.444 -9.060 437 H LYS 64 H LYS 64 -5.193 -4.441 -7.922 438 HA LYS 64 HA LYS 64 -5.053 -6.231 -5.633 439 HB2 LYS 64 1HB LYS 64 -6.553 -6.471 -7.768 440 HB3 LYS 64 2HB LYS 64 -5.101 -7.160 -8.482 441 HG2 LYS 64 1HG LYS 64 -5.054 -8.752 -6.514 442 HG3 LYS 64 2HG LYS 64 -6.681 -8.179 -6.142 443 HD2 LYS 64 1HD LYS 64 -7.145 -8.743 -8.648 444 HD3 LYS 64 2HD LYS 64 -5.713 -9.763 -8.485 445 HE2 LYS 64 1HE LYS 64 -7.353 -11.255 -7.908 446 HE3 LYS 64 2HE LYS 64 -6.951 -10.596 -6.323 447 HZ1 LYS 64 3HZ LYS 64 -9.357 -10.229 -7.932 448 HZ2 LYS 64 1HZ LYS 64 -8.833 -8.900 -7.027 449 HZ3 LYS 64 2HZ LYS 64 -9.187 -10.362 -6.254 450 H LEU 65 H LEU 65 -3.114 -6.702 -4.839 451 HA LEU 65 HA LEU 65 -0.731 -6.522 -6.449 452 HB2 LEU 65 1HB LEU 65 -1.155 -6.054 -3.871 453 HB3 LEU 65 2HB LEU 65 -0.694 -7.751 -3.746 454 HG LEU 65 HG LEU 65 1.355 -6.883 -5.216 455 HD11 LEU 65 1HD1 LEU 65 0.318 -4.470 -3.766 456 HD12 LEU 65 2HD1 LEU 65 0.812 -4.619 -5.452 457 HD13 LEU 65 3HD1 LEU 65 2.024 -4.654 -4.171 458 HD21 LEU 65 3HD2 LEU 65 0.857 -7.140 -2.323 459 HD22 LEU 65 1HD2 LEU 65 2.316 -6.259 -2.778 460 HD23 LEU 65 2HD2 LEU 65 2.073 -7.912 -3.343 461 H GLU 66 H GLU 66 0.646 -8.194 -7.029 462 HA GLU 66 HA GLU 66 -0.175 -10.937 -6.479 463 HB2 GLU 66 1HB GLU 66 0.339 -10.063 -9.317 464 HB3 GLU 66 2HB GLU 66 -0.287 -11.608 -8.758 465 HG2 GLU 66 1HG GLU 66 -2.332 -10.477 -7.992 466 HG3 GLU 66 2HG GLU 66 -1.706 -8.957 -8.630 467 H GLY 67 H GLY 67 1.470 -12.522 -7.078 468 HA2 GLY 67 1HA GLY 67 3.664 -13.181 -7.568 469 HA3 GLY 67 2HA GLY 67 4.114 -11.489 -7.722 470 H LEU 68 H LEU 68 2.396 -12.791 -4.958 471 HA LEU 68 HA LEU 68 4.704 -12.094 -3.286 472 HB2 LEU 68 1HB LEU 68 1.819 -12.537 -2.534 473 HB3 LEU 68 2HB LEU 68 3.105 -12.063 -1.426 474 HG LEU 68 HG LEU 68 2.612 -10.302 -3.761 475 HD11 LEU 68 1HD1 LEU 68 0.841 -9.139 -2.327 476 HD12 LEU 68 2HD1 LEU 68 0.686 -10.686 -1.494 477 HD13 LEU 68 3HD1 LEU 68 0.357 -10.579 -3.224 478 HD21 LEU 68 3HD2 LEU 68 2.812 -9.257 -1.024 479 HD22 LEU 68 1HD2 LEU 68 3.661 -8.773 -2.493 480 HD23 LEU 68 2HD2 LEU 68 4.214 -10.175 -1.576 481 H LYS 69 H LYS 69 4.370 -13.494 -1.053 482 HA LYS 69 HA LYS 69 4.902 -16.230 -1.919 483 HB2 LYS 69 1HB LYS 69 5.465 -14.691 0.602 484 HB3 LYS 69 2HB LYS 69 5.599 -16.445 0.561 485 HG2 LYS 69 1HG LYS 69 7.143 -16.062 -1.463 486 HG3 LYS 69 2HG LYS 69 7.231 -14.396 -0.885 487 HD2 LYS 69 1HD LYS 69 7.779 -15.520 1.406 488 HD3 LYS 69 2HD LYS 69 8.207 -16.910 0.406 489 HE2 LYS 69 1HE LYS 69 9.298 -14.169 -0.149 490 HE3 LYS 69 2HE LYS 69 10.062 -15.248 1.017 491 HZ1 LYS 69 3HZ LYS 69 9.671 -16.787 -1.216 492 HZ2 LYS 69 1HZ LYS 69 11.137 -16.115 -0.702 493 HZ3 LYS 69 2HZ LYS 69 10.180 -15.294 -1.829 494 H LYS 70 H LYS 70 3.738 -17.990 -1.290 495 HA LYS 70 HA LYS 70 1.105 -18.049 -0.977 496 HB2 LYS 70 1HB LYS 70 2.816 -19.997 -0.920 497 HB3 LYS 70 2HB LYS 70 2.713 -19.834 0.828 498 HG2 LYS 70 1HG LYS 70 0.582 -20.636 0.920 499 HG3 LYS 70 2HG LYS 70 0.178 -20.061 -0.700 500 HD2 LYS 70 1HD LYS 70 2.148 -22.286 -0.253 501 HD3 LYS 70 2HD LYS 70 0.412 -22.588 -0.359 502 HE2 LYS 70 1HE LYS 70 0.330 -21.682 -2.577 503 HE3 LYS 70 2HE LYS 70 2.002 -21.136 -2.467 504 HZ1 LYS 70 3HZ LYS 70 1.262 -23.431 -3.599 505 HZ2 LYS 70 1HZ LYS 70 1.584 -23.971 -2.028 506 HZ3 LYS 70 2HZ LYS 70 2.788 -23.177 -2.912 507 H PHE 71 H PHE 71 3.053 -18.384 1.988 508 HA PHE 71 HA PHE 71 1.136 -16.622 3.356 509 HB2 PHE 71 1HB PHE 71 0.646 -19.005 3.871 510 HB3 PHE 71 2HB PHE 71 2.278 -19.175 4.509 511 HD1 PHE 71 2HD PHE 71 -1.036 -17.732 5.067 512 HD2 PHE 71 1HD PHE 71 2.891 -18.225 6.634 513 HE1 PHE 71 2HE PHE 71 -1.826 -16.981 7.273 514 HE2 PHE 71 1HE PHE 71 2.107 -17.475 8.843 515 HZ PHE 71 HZ PHE 71 -0.254 -16.850 9.164 516 H THR 72 H THR 72 2.402 -14.862 3.611 517 HA THR 72 HA THR 72 4.665 -15.106 5.419 518 HB THR 72 HB THR 72 4.951 -13.896 2.664 519 HG1 THR 72 1HG THR 72 5.472 -16.317 3.629 520 HG21 THR 72 3HG2 THR 72 6.758 -13.767 5.073 521 HG22 THR 72 1HG2 THR 72 6.070 -12.421 4.165 522 HG23 THR 72 2HG2 THR 72 7.309 -13.438 3.430 523 H GLU 73 H GLU 73 4.693 -13.471 6.832 524 HA GLU 73 HA GLU 73 2.678 -11.498 6.829 525 HB2 GLU 73 1HB GLU 73 3.631 -12.277 8.909 526 HB3 GLU 73 2HB GLU 73 5.228 -11.716 8.434 527 HG2 GLU 73 1HG GLU 73 4.387 -9.400 8.451 528 HG3 GLU 73 2HG GLU 73 2.827 -9.996 9.015 529 H TYR 74 H TYR 74 2.618 -9.996 5.271 530 HA TYR 74 HA TYR 74 5.108 -8.625 4.533 531 HB2 TYR 74 1HB TYR 74 2.489 -9.035 3.123 532 HB3 TYR 74 2HB TYR 74 3.562 -7.723 2.646 533 HD1 TYR 74 2HD TYR 74 5.992 -8.367 2.050 534 HD2 TYR 74 1HD TYR 74 2.800 -11.173 2.251 535 HE1 TYR 74 2HE TYR 74 7.282 -9.925 0.652 536 HE2 TYR 74 1HE TYR 74 4.082 -12.740 0.854 537 HH TYR 74 HH TYR 74 6.201 -12.216 -1.028 538 H SER 75 H SER 75 5.333 -6.433 4.711 539 HA SER 75 HA SER 75 3.193 -5.034 6.176 540 HB2 SER 75 1HB SER 75 5.326 -5.369 7.437 541 HB3 SER 75 2HB SER 75 6.154 -4.407 6.213 542 HG SER 75 HG SER 75 4.732 -2.675 6.765 543 H LEU 76 H LEU 76 2.095 -3.774 4.821 544 HA LEU 76 HA LEU 76 3.517 -2.424 2.642 545 HB2 LEU 76 1HB LEU 76 0.543 -2.553 3.074 546 HB3 LEU 76 2HB LEU 76 1.403 -2.110 1.600 547 HG LEU 76 HG LEU 76 1.394 -4.873 2.812 548 HD11 LEU 76 1HD1 LEU 76 -0.685 -4.991 2.008 549 HD12 LEU 76 2HD1 LEU 76 0.076 -5.016 0.417 550 HD13 LEU 76 3HD1 LEU 76 -0.515 -3.496 1.088 551 HD21 LEU 76 3HD2 LEU 76 3.051 -3.645 0.872 552 HD22 LEU 76 1HD2 LEU 76 2.001 -4.787 0.034 553 HD23 LEU 76 2HD2 LEU 76 3.013 -5.337 1.370 554 H ARG 77 H ARG 77 2.832 -0.174 2.139 555 HA ARG 77 HA ARG 77 1.888 1.368 4.427 556 HB2 ARG 77 1HB ARG 77 4.424 1.165 4.522 557 HB3 ARG 77 2HB ARG 77 4.461 2.125 3.049 558 HG2 ARG 77 1HG ARG 77 4.681 3.813 4.526 559 HG3 ARG 77 2HG ARG 77 2.920 3.711 4.544 560 HD2 ARG 77 1HD ARG 77 3.485 3.740 6.802 561 HD3 ARG 77 2HD ARG 77 3.247 2.027 6.460 562 HE ARG 77 HE ARG 77 5.859 2.227 6.092 563 HH11 ARG 77 1HH1 ARG 77 3.857 3.558 8.609 564 HH12 ARG 77 2HH1 ARG 77 5.109 3.516 9.807 565 HH21 ARG 77 1HH2 ARG 77 7.515 2.166 7.659 566 HH22 ARG 77 2HH2 ARG 77 7.190 2.725 9.265 567 H PHE 78 H PHE 78 0.558 2.942 3.799 568 HA PHE 78 HA PHE 78 0.682 3.830 0.992 569 HB2 PHE 78 1HB PHE 78 -1.345 2.378 1.935 570 HB3 PHE 78 2HB PHE 78 -1.897 3.960 2.477 571 HD1 PHE 78 1HD PHE 78 -0.675 2.188 -0.558 572 HD2 PHE 78 2HD PHE 78 -3.088 5.313 1.033 573 HE1 PHE 78 1HE PHE 78 -1.565 2.641 -2.807 574 HE2 PHE 78 2HE PHE 78 -3.982 5.770 -1.213 575 HZ PHE 78 HZ PHE 78 -3.221 4.433 -3.136 576 H LEU 79 H LEU 79 0.326 6.002 0.560 577 HA LEU 79 HA LEU 79 -0.334 7.853 2.663 578 HB2 LEU 79 1HB LEU 79 1.719 9.076 2.684 579 HB3 LEU 79 2HB LEU 79 2.064 7.391 3.066 580 HG LEU 79 HG LEU 79 2.737 7.138 0.624 581 HD11 LEU 79 1HD1 LEU 79 3.628 9.577 -0.072 582 HD12 LEU 79 2HD1 LEU 79 2.132 10.019 0.750 583 HD13 LEU 79 3HD1 LEU 79 2.091 8.905 -0.616 584 HD21 LEU 79 3HD2 LEU 79 4.865 8.724 1.249 585 HD22 LEU 79 1HD2 LEU 79 4.635 7.069 1.812 586 HD23 LEU 79 2HD2 LEU 79 4.158 8.423 2.837 587 H ALA 80 H ALA 80 -0.635 10.018 1.892 588 HA ALA 80 HA ALA 80 -1.270 10.083 -0.960 589 HB1 ALA 80 3HB ALA 80 -1.983 12.395 0.714 590 HB2 ALA 80 1HB ALA 80 -2.945 11.503 -0.465 591 HB3 ALA 80 2HB ALA 80 -2.736 10.866 1.166 592 H TYR 81 H TYR 81 -0.397 11.520 -2.389 593 HA TYR 81 HA TYR 81 1.520 13.499 -1.405 594 HB2 TYR 81 1HB TYR 81 3.259 12.790 -2.911 595 HB3 TYR 81 2HB TYR 81 2.770 11.401 -1.948 596 HD1 TYR 81 1HD TYR 81 1.975 13.025 -5.219 597 HD2 TYR 81 2HD TYR 81 2.397 9.398 -3.036 598 HE1 TYR 81 1HE TYR 81 1.577 11.745 -7.281 599 HE2 TYR 81 2HE TYR 81 2.001 8.108 -5.092 600 HH TYR 81 HH TYR 81 0.807 8.527 -7.326 601 H ASN 82 H ASN 82 1.527 15.358 -2.545 602 HA ASN 82 HA ASN 82 0.028 15.408 -5.080 603 HB2 ASN 82 1HB ASN 82 -0.490 17.860 -4.294 604 HB3 ASN 82 2HB ASN 82 -1.457 16.517 -3.693 605 HD21 ASN 82 1HD2 ASN 82 1.694 17.927 -2.859 606 HD22 ASN 82 2HD2 ASN 82 1.362 18.089 -1.171 607 H ARG 83 H ARG 83 0.470 17.664 -6.189 608 HA ARG 83 HA ARG 83 2.890 17.724 -7.326 609 HB2 ARG 83 1HB ARG 83 2.589 20.105 -7.789 610 HB3 ARG 83 2HB ARG 83 1.069 19.238 -7.960 611 HG2 ARG 83 1HG ARG 83 0.185 20.153 -6.010 612 HG3 ARG 83 2HG ARG 83 1.773 20.631 -5.406 613 HD2 ARG 83 1HD ARG 83 0.541 21.799 -7.890 614 HD3 ARG 83 2HD ARG 83 0.306 22.493 -6.287 615 HE ARG 83 HE ARG 83 3.023 22.253 -6.577 616 HH11 ARG 83 1HH1 ARG 83 0.454 23.846 -8.305 617 HH12 ARG 83 2HH1 ARG 83 1.461 25.136 -8.874 618 HH21 ARG 83 1HH2 ARG 83 4.358 23.946 -7.321 619 HH22 ARG 83 2HH2 ARG 83 3.682 25.191 -8.315 620 H TYR 84 H TYR 84 2.129 19.077 -4.168 621 HA TYR 84 HA TYR 84 4.621 20.361 -3.753 622 HB2 TYR 84 1HB TYR 84 2.877 19.303 -1.540 623 HB3 TYR 84 2HB TYR 84 3.903 20.734 -1.540 624 HD1 TYR 84 1HD TYR 84 3.133 22.163 -3.929 625 HD2 TYR 84 2HD TYR 84 0.694 19.989 -1.203 626 HE1 TYR 84 1HE TYR 84 1.203 23.550 -4.559 627 HE2 TYR 84 2HE TYR 84 -1.243 21.370 -1.826 628 HH TYR 84 HH TYR 84 -2.026 22.808 -3.475 629 H GLY 85 H GLY 85 3.333 17.239 -2.616 630 HA2 GLY 85 1HA GLY 85 5.423 15.604 -2.990 631 HA3 GLY 85 2HA GLY 85 5.931 16.488 -1.558 632 HA PRO 86 HA PRO 86 3.319 12.752 -0.406 633 HB2 PRO 86 1HB PRO 86 5.230 11.486 1.048 634 HB3 PRO 86 2HB PRO 86 5.019 11.233 -0.688 635 HG2 PRO 86 1HG PRO 86 6.988 12.972 0.747 636 HG3 PRO 86 2HG PRO 86 7.246 11.903 -0.643 637 HD2 PRO 86 1HD PRO 86 6.952 14.582 -0.901 638 HD3 PRO 86 2HD PRO 86 6.399 13.438 -2.140 639 H GLY 87 H GLY 87 2.147 12.789 1.430 640 HA2 GLY 87 1HA GLY 87 3.026 14.617 3.552 641 HA3 GLY 87 2HA GLY 87 1.378 14.066 3.285 642 H VAL 88 H VAL 88 0.863 13.157 5.194 643 HA VAL 88 HA VAL 88 2.637 11.695 6.828 644 HB VAL 88 HB VAL 88 0.219 12.752 7.272 645 HG11 VAL 88 1HG1 VAL 88 -1.446 11.010 7.591 646 HG12 VAL 88 2HG1 VAL 88 -0.935 11.072 5.903 647 HG13 VAL 88 3HG1 VAL 88 -0.326 9.801 6.964 648 HG21 VAL 88 3HG2 VAL 88 1.506 12.279 9.131 649 HG22 VAL 88 1HG2 VAL 88 0.170 11.144 9.322 650 HG23 VAL 88 2HG2 VAL 88 1.717 10.586 8.685 651 H SER 89 H SER 89 2.634 9.437 7.320 652 HA SER 89 HA SER 89 1.813 7.758 5.040 653 HB2 SER 89 1HB SER 89 3.712 6.274 5.635 654 HB3 SER 89 2HB SER 89 4.240 7.899 5.196 655 HG SER 89 HG SER 89 4.059 8.226 7.628 656 H THR 90 H THR 90 0.184 6.456 5.511 657 HA THR 90 HA THR 90 -1.004 6.052 7.943 658 HB THR 90 HB THR 90 -1.945 3.927 6.992 659 HG1 THR 90 1HG THR 90 -0.985 3.051 5.327 660 HG21 THR 90 3HG2 THR 90 -2.136 6.614 5.868 661 HG22 THR 90 1HG2 THR 90 -3.412 5.481 6.311 662 HG23 THR 90 2HG2 THR 90 -2.625 5.353 4.738 663 H ASP 91 H ASP 91 -1.194 3.947 9.162 664 HA ASP 91 HA ASP 91 1.400 3.214 10.132 665 HB2 ASP 91 1HB ASP 91 -1.370 2.225 10.826 666 HB3 ASP 91 2HB ASP 91 0.094 1.698 11.651 667 H ASP 92 H ASP 92 2.626 1.539 9.564 668 HA ASP 92 HA ASP 92 2.525 0.068 7.359 669 HB2 ASP 92 1HB ASP 92 3.263 -1.226 9.987 670 HB3 ASP 92 2HB ASP 92 3.897 -1.611 8.389 671 H ILE 93 H ILE 93 1.045 -1.142 6.399 672 HA ILE 93 HA ILE 93 -1.062 -2.388 7.972 673 HB ILE 93 HB ILE 93 -0.762 -2.355 4.970 674 HG12 ILE 93 1HG1 ILE 93 -2.485 -0.508 6.620 675 HG13 ILE 93 2HG1 ILE 93 -0.860 -0.072 6.104 676 HG21 ILE 93 1HG2 ILE 93 -2.291 -4.037 5.569 677 HG22 ILE 93 2HG2 ILE 93 -3.012 -3.044 6.835 678 HG23 ILE 93 3HG2 ILE 93 -3.284 -2.644 5.140 679 HD11 ILE 93 3HD1 ILE 93 -1.589 -0.439 3.753 680 HD12 ILE 93 1HD1 ILE 93 -3.231 -0.659 4.355 681 HD13 ILE 93 2HD1 ILE 93 -2.410 0.886 4.578 682 H THR 94 H THR 94 -0.358 -4.240 8.891 683 HA THR 94 HA THR 94 1.303 -6.105 7.429 684 HB THR 94 HB THR 94 0.019 -6.533 10.129 685 HG1 THR 94 1HG THR 94 2.225 -5.831 10.822 686 HG21 THR 94 3HG2 THR 94 1.974 -8.034 10.450 687 HG22 THR 94 1HG2 THR 94 2.419 -7.758 8.767 688 HG23 THR 94 2HG2 THR 94 0.897 -8.560 9.157 689 H VAL 95 H VAL 95 0.478 -7.516 6.044 690 HA VAL 95 HA VAL 95 -2.095 -8.788 6.680 691 HB VAL 95 HB VAL 95 -1.297 -7.776 3.947 692 HG11 VAL 95 1HG1 VAL 95 -2.795 -9.982 4.468 693 HG12 VAL 95 2HG1 VAL 95 -4.034 -8.727 4.398 694 HG13 VAL 95 3HG1 VAL 95 -2.953 -8.980 3.027 695 HG21 VAL 95 3HG2 VAL 95 -2.148 -5.855 4.731 696 HG22 VAL 95 1HG2 VAL 95 -3.711 -6.655 4.563 697 HG23 VAL 95 2HG2 VAL 95 -2.891 -6.642 6.124 698 H VAL 96 H VAL 96 -1.495 -10.823 7.105 699 HA VAL 96 HA VAL 96 0.686 -12.100 5.723 700 HB VAL 96 HB VAL 96 -1.312 -13.331 7.625 701 HG11 VAL 96 1HG1 VAL 96 0.642 -14.918 8.000 702 HG12 VAL 96 2HG1 VAL 96 -0.227 -15.072 6.472 703 HG13 VAL 96 3HG1 VAL 96 1.330 -14.245 6.523 704 HG21 VAL 96 3HG2 VAL 96 -0.372 -12.005 9.161 705 HG22 VAL 96 1HG2 VAL 96 1.057 -13.025 8.988 706 HG23 VAL 96 2HG2 VAL 96 0.930 -11.523 8.072 707 H THR 97 H THR 97 0.399 -12.742 3.688 708 HA THR 97 HA THR 97 -1.901 -13.150 2.288 709 HB THR 97 HB THR 97 -0.541 -14.855 0.912 710 HG1 THR 97 1HG THR 97 1.447 -15.289 1.567 711 HG21 THR 97 3HG2 THR 97 -0.710 -12.629 0.119 712 HG22 THR 97 1HG2 THR 97 1.010 -13.016 0.103 713 HG23 THR 97 2HG2 THR 97 0.343 -12.016 1.394 714 H LEU 98 H LEU 98 -3.079 -15.023 1.617 715 HA LEU 98 HA LEU 98 -3.905 -16.683 3.711 716 HB2 LEU 98 1HB LEU 98 -4.200 -17.310 0.784 717 HB3 LEU 98 2HB LEU 98 -5.241 -17.828 2.108 718 HG LEU 98 HG LEU 98 -5.016 -15.078 0.901 719 HD11 LEU 98 1HD1 LEU 98 -7.304 -15.375 0.321 720 HD12 LEU 98 2HD1 LEU 98 -7.412 -16.865 1.258 721 HD13 LEU 98 3HD1 LEU 98 -6.436 -16.816 -0.210 722 HD21 LEU 98 3HD2 LEU 98 -7.067 -15.078 2.785 723 HD22 LEU 98 1HD2 LEU 98 -5.527 -14.226 2.889 724 HD23 LEU 98 2HD2 LEU 98 -5.697 -15.830 3.603 725 H SER 99 H SER 99 -4.054 -19.235 3.013 726 HA SER 99 HA SER 99 -1.320 -20.148 2.450 727 HB2 SER 99 1HB SER 99 -1.300 -20.285 4.789 728 HB3 SER 99 2HB SER 99 -2.993 -20.770 4.870 729 HG SER 99 HG SER 99 -0.769 -22.304 4.640 730 H ASP 100 H ASP 100 -1.628 -21.184 0.573 731 HA ASP 100 HA ASP 100 -3.956 -22.455 -0.281 732 HB2 ASP 100 1HB ASP 100 -1.821 -21.793 -1.602 733 HB3 ASP 100 2HB ASP 100 -1.236 -23.392 -1.150 734 H SER 101 H SER 101 -0.962 -24.055 0.826 735 HA SER 101 HA SER 101 -1.618 -26.636 0.888 736 HB2 SER 101 1HB SER 101 -0.209 -26.945 2.845 737 HB3 SER 101 2HB SER 101 0.488 -25.690 1.820 738 HG SER 101 HG SER 101 -1.283 -24.832 3.772 739 H GLY 102 H GLY 102 -2.815 -28.087 2.082 740 HA2 GLY 102 1HA GLY 102 -4.665 -26.920 4.068 741 HA3 GLY 102 2HA GLY 102 -5.230 -28.025 2.823 742 HA PRO 103 HA PRO 103 -4.426 -31.494 5.370 743 HB2 PRO 103 1HB PRO 103 -3.371 -33.308 3.647 744 HB3 PRO 103 2HB PRO 103 -5.074 -32.837 3.621 745 HG2 PRO 103 1HG PRO 103 -2.821 -31.894 1.890 746 HG3 PRO 103 2HG PRO 103 -4.479 -32.326 1.432 747 HD2 PRO 103 1HD PRO 103 -3.673 -29.758 1.734 748 HD3 PRO 103 2HD PRO 103 -5.328 -30.289 2.098 749 H SER 104 H SER 104 -2.884 -32.336 6.694 750 HA SER 104 HA SER 104 -0.382 -31.145 6.892 751 HB2 SER 104 1HB SER 104 -1.507 -33.700 8.019 752 HB3 SER 104 2HB SER 104 0.154 -33.210 8.352 753 HG SER 104 HG SER 104 -1.838 -31.301 8.726 754 H SER 105 H SER 105 -0.987 -34.536 5.955 755 HA SER 105 HA SER 105 0.251 -36.005 4.726 756 HB2 SER 105 1HB SER 105 -0.603 -34.442 2.959 757 HB3 SER 105 2HB SER 105 0.921 -33.561 3.072 758 HG SER 105 HG SER 105 1.965 -35.205 2.156 759 H GLY 106 H GLY 106 1.596 -35.040 6.977 760 HA2 GLY 106 1HA GLY 106 4.374 -34.836 5.989 761 HA3 GLY 106 2HA GLY 106 3.820 -34.122 7.496 Start of MODEL 7 1 H1 GLY 1 H GLY 1 13.225 31.573 -6.799 2 HA2 GLY 1 1HA GLY 1 12.175 29.784 -5.816 3 HA3 GLY 1 2HA GLY 1 12.824 30.380 -4.295 4 H SER 2 H SER 2 10.095 29.344 -5.470 5 HA SER 2 HA SER 2 8.398 31.503 -4.438 6 HB2 SER 2 1HB SER 2 6.568 30.462 -5.587 7 HB3 SER 2 2HB SER 2 7.930 30.495 -6.706 8 HG SER 2 HG SER 2 7.960 28.236 -5.232 9 H SER 3 H SER 3 6.698 31.028 -2.946 10 HA SER 3 HA SER 3 7.300 28.712 -1.226 11 HB2 SER 3 1HB SER 3 6.215 31.441 -0.499 12 HB3 SER 3 2HB SER 3 6.303 30.085 0.625 13 HG SER 3 HG SER 3 8.593 30.926 -0.781 14 H GLY 4 H GLY 4 5.525 27.662 -0.176 15 HA2 GLY 4 1HA GLY 4 3.039 27.654 0.085 16 HA3 GLY 4 2HA GLY 4 2.978 28.003 -1.637 17 H SER 5 H SER 5 4.496 25.619 0.541 18 HA SER 5 HA SER 5 3.389 23.484 -1.125 19 HB2 SER 5 1HB SER 5 5.767 24.039 -1.851 20 HB3 SER 5 2HB SER 5 6.287 23.445 -0.274 21 HG SER 5 HG SER 5 5.419 22.058 -2.485 22 H SER 6 H SER 6 2.451 21.996 0.100 23 HA SER 6 HA SER 6 3.570 21.314 2.702 24 HB2 SER 6 1HB SER 6 0.790 22.421 2.301 25 HB3 SER 6 2HB SER 6 1.236 21.468 3.716 26 HG SER 6 HG SER 6 3.104 23.252 3.518 27 H GLY 7 H GLY 7 3.060 19.245 3.403 28 HA2 GLY 7 1HA GLY 7 2.265 17.417 1.337 29 HA3 GLY 7 2HA GLY 7 2.720 16.999 2.981 30 HA PRO 8 HA PRO 8 -2.043 17.142 2.189 31 HB2 PRO 8 1HB PRO 8 -2.518 14.689 1.127 32 HB3 PRO 8 2HB PRO 8 -2.228 16.125 0.137 33 HG2 PRO 8 1HG PRO 8 -0.332 13.938 0.904 34 HG3 PRO 8 2HG PRO 8 -0.548 14.732 -0.667 35 HD2 PRO 8 1HD PRO 8 1.466 15.374 1.024 36 HD3 PRO 8 2HD PRO 8 0.712 16.563 -0.057 37 H GLY 9 H GLY 9 -3.627 15.330 3.017 38 HA2 GLY 9 1HA GLY 9 -2.470 14.371 5.533 39 HA3 GLY 9 2HA GLY 9 -4.182 14.573 5.194 40 HA PRO 10 HA PRO 10 -2.721 10.082 4.683 41 HB2 PRO 10 1HB PRO 10 -3.880 9.055 6.912 42 HB3 PRO 10 2HB PRO 10 -2.228 9.683 6.891 43 HG2 PRO 10 1HG PRO 10 -4.746 11.005 7.827 44 HG3 PRO 10 2HG PRO 10 -3.140 10.997 8.580 45 HD2 PRO 10 1HD PRO 10 -4.057 13.089 7.126 46 HD3 PRO 10 2HD PRO 10 -2.338 12.646 7.183 47 H VAL 11 H VAL 11 -4.004 9.058 3.293 48 HA VAL 11 HA VAL 11 -6.599 9.662 2.662 49 HB VAL 11 HB VAL 11 -6.765 7.526 1.538 50 HG11 VAL 11 1HG1 VAL 11 -3.905 8.456 1.363 51 HG12 VAL 11 2HG1 VAL 11 -4.866 7.683 0.101 52 HG13 VAL 11 3HG1 VAL 11 -5.263 9.316 0.638 53 HG21 VAL 11 3HG2 VAL 11 -4.218 6.681 2.900 54 HG22 VAL 11 1HG2 VAL 11 -5.819 6.221 3.479 55 HG23 VAL 11 2HG2 VAL 11 -5.279 5.710 1.880 56 H GLU 12 H GLU 12 -8.492 8.039 2.822 57 HA GLU 12 HA GLU 12 -8.709 7.057 5.590 58 HB2 GLU 12 1HB GLU 12 -11.244 7.698 5.181 59 HB3 GLU 12 2HB GLU 12 -10.086 8.876 5.782 60 HG2 GLU 12 1HG GLU 12 -11.120 10.077 4.138 61 HG3 GLU 12 2HG GLU 12 -9.749 9.411 3.252 62 H ASN 13 H ASN 13 -10.837 5.665 5.746 63 HA ASN 13 HA ASN 13 -11.634 3.568 5.297 64 HB2 ASN 13 1HB ASN 13 -12.060 5.153 2.792 65 HB3 ASN 13 2HB ASN 13 -12.489 3.445 2.813 66 HD21 ASN 13 1HD2 ASN 13 -13.901 6.225 2.898 67 HD22 ASN 13 2HD2 ASN 13 -15.152 5.968 4.062 68 H LEU 14 H LEU 14 -8.759 3.874 5.008 69 HA LEU 14 HA LEU 14 -7.990 2.293 2.716 70 HB2 LEU 14 1HB LEU 14 -6.429 3.932 3.351 71 HB3 LEU 14 2HB LEU 14 -6.508 3.464 5.048 72 HG LEU 14 HG LEU 14 -5.522 1.194 4.032 73 HD11 LEU 14 1HD1 LEU 14 -3.672 2.190 2.417 74 HD12 LEU 14 2HD1 LEU 14 -4.977 3.309 2.024 75 HD13 LEU 14 3HD1 LEU 14 -5.210 1.574 1.812 76 HD21 LEU 14 3HD2 LEU 14 -4.634 3.116 5.690 77 HD22 LEU 14 1HD2 LEU 14 -3.485 3.302 4.365 78 HD23 LEU 14 2HD2 LEU 14 -3.653 1.744 5.174 79 H GLN 15 H GLN 15 -7.742 0.151 2.640 80 HA GLN 15 HA GLN 15 -7.157 -1.414 4.976 81 HB2 GLN 15 1HB GLN 15 -9.899 -1.419 3.762 82 HB3 GLN 15 2HB GLN 15 -9.257 -2.882 4.495 83 HG2 GLN 15 1HG GLN 15 -8.783 -1.353 6.532 84 HG3 GLN 15 2HG GLN 15 -9.959 -0.280 5.775 85 HE21 GLN 15 1HE2 GLN 15 -10.567 -1.177 8.196 86 HE22 GLN 15 2HE2 GLN 15 -11.801 -2.384 8.133 87 H ALA 16 H ALA 16 -6.340 -3.422 4.477 88 HA ALA 16 HA ALA 16 -6.310 -4.168 1.629 89 HB1 ALA 16 3HB ALA 16 -4.114 -3.253 3.098 90 HB2 ALA 16 1HB ALA 16 -3.897 -4.997 2.953 91 HB3 ALA 16 2HB ALA 16 -4.099 -4.010 1.505 92 H VAL 17 H VAL 17 -6.488 -6.320 1.168 93 HA VAL 17 HA VAL 17 -6.248 -8.316 3.249 94 HB VAL 17 HB VAL 17 -8.594 -9.205 2.652 95 HG11 VAL 17 1HG1 VAL 17 -7.722 -8.039 4.807 96 HG12 VAL 17 2HG1 VAL 17 -8.712 -6.686 4.257 97 HG13 VAL 17 3HG1 VAL 17 -9.456 -8.254 4.574 98 HG21 VAL 17 3HG2 VAL 17 -8.940 -7.592 0.791 99 HG22 VAL 17 1HG2 VAL 17 -10.234 -7.577 1.990 100 HG23 VAL 17 2HG2 VAL 17 -9.023 -6.295 1.983 101 H SER 18 H SER 18 -5.665 -10.250 2.437 102 HA SER 18 HA SER 18 -5.366 -10.451 -0.453 103 HB2 SER 18 1HB SER 18 -3.432 -10.988 0.960 104 HB3 SER 18 2HB SER 18 -4.359 -12.257 1.761 105 HG SER 18 HG SER 18 -3.384 -12.164 -0.880 106 H THR 19 H THR 19 -6.690 -11.581 -1.704 107 HA THR 19 HA THR 19 -8.597 -13.420 -0.426 108 HB THR 19 HB THR 19 -10.120 -13.019 -2.170 109 HG1 THR 19 1HG THR 19 -8.545 -11.399 -3.755 110 HG21 THR 19 3HG2 THR 19 -10.260 -10.542 -2.340 111 HG22 THR 19 1HG2 THR 19 -8.660 -10.436 -1.607 112 HG23 THR 19 2HG2 THR 19 -10.006 -11.115 -0.692 113 H SER 20 H SER 20 -5.839 -14.116 -1.138 114 HA SER 20 HA SER 20 -6.317 -16.633 -2.317 115 HB2 SER 20 1HB SER 20 -5.729 -14.458 -4.153 116 HB3 SER 20 2HB SER 20 -4.520 -15.738 -4.253 117 HG SER 20 HG SER 20 -7.286 -15.857 -4.745 118 HA PRO 21 HA PRO 21 -2.443 -17.973 -0.761 119 HB2 PRO 21 1HB PRO 21 -1.333 -18.187 -3.522 120 HB3 PRO 21 2HB PRO 21 -1.360 -19.386 -2.223 121 HG2 PRO 21 1HG PRO 21 -3.052 -19.533 -4.296 122 HG3 PRO 21 2HG PRO 21 -3.541 -20.006 -2.658 123 HD2 PRO 21 1HD PRO 21 -4.269 -17.617 -4.236 124 HD3 PRO 21 2HD PRO 21 -5.180 -18.468 -2.972 125 H THR 22 H THR 22 -1.873 -15.920 -3.624 126 HA THR 22 HA THR 22 -0.073 -14.268 -1.993 127 HB THR 22 HB THR 22 1.589 -14.133 -3.707 128 HG1 THR 22 1HG THR 22 -0.303 -15.572 -5.257 129 HG21 THR 22 3HG2 THR 22 0.698 -16.880 -2.948 130 HG22 THR 22 1HG2 THR 22 2.140 -15.992 -2.458 131 HG23 THR 22 2HG2 THR 22 2.042 -16.691 -4.074 132 H SER 23 H SER 23 -1.600 -12.634 -1.861 133 HA SER 23 HA SER 23 -1.700 -10.840 -4.077 134 HB2 SER 23 1HB SER 23 -4.239 -10.811 -4.184 135 HB3 SER 23 2HB SER 23 -3.460 -12.214 -4.914 136 HG SER 23 HG SER 23 -5.342 -12.454 -3.329 137 H ILE 24 H ILE 24 -3.236 -8.944 -3.531 138 HA ILE 24 HA ILE 24 -3.844 -8.528 -0.761 139 HB ILE 24 HB ILE 24 -1.533 -7.004 -1.968 140 HG12 ILE 24 1HG1 ILE 24 -1.764 -8.970 0.309 141 HG13 ILE 24 2HG1 ILE 24 -0.755 -9.092 -1.128 142 HG21 ILE 24 1HG2 ILE 24 -1.505 -5.941 0.356 143 HG22 ILE 24 2HG2 ILE 24 -2.744 -5.396 -0.774 144 HG23 ILE 24 3HG2 ILE 24 -3.159 -6.533 0.509 145 HD11 ILE 24 3HD1 ILE 24 -0.352 -7.498 1.346 146 HD12 ILE 24 1HD1 ILE 24 0.788 -8.496 0.444 147 HD13 ILE 24 2HD1 ILE 24 0.325 -6.909 -0.172 148 H LEU 25 H LEU 25 -5.818 -7.720 -1.147 149 HA LEU 25 HA LEU 25 -6.252 -5.808 -3.286 150 HB2 LEU 25 1HB LEU 25 -7.822 -7.719 -2.617 151 HB3 LEU 25 2HB LEU 25 -8.285 -6.692 -1.262 152 HG LEU 25 HG LEU 25 -9.087 -4.989 -2.823 153 HD11 LEU 25 1HD1 LEU 25 -9.318 -6.229 -5.256 154 HD12 LEU 25 2HD1 LEU 25 -7.691 -6.679 -4.745 155 HD13 LEU 25 3HD1 LEU 25 -8.144 -4.978 -4.846 156 HD21 LEU 25 3HD2 LEU 25 -10.193 -7.607 -2.451 157 HD22 LEU 25 1HD2 LEU 25 -10.654 -6.979 -4.033 158 HD23 LEU 25 2HD2 LEU 25 -11.018 -6.052 -2.578 159 H ILE 26 H ILE 26 -5.461 -3.835 -2.804 160 HA ILE 26 HA ILE 26 -5.963 -2.697 -0.156 161 HB ILE 26 HB ILE 26 -4.393 -1.401 -2.374 162 HG12 ILE 26 1HG1 ILE 26 -3.030 -2.910 -0.189 163 HG13 ILE 26 2HG1 ILE 26 -3.689 -3.824 -1.542 164 HG21 ILE 26 1HG2 ILE 26 -4.735 -0.970 0.557 165 HG22 ILE 26 2HG2 ILE 26 -3.215 -0.518 -0.212 166 HG23 ILE 26 3HG2 ILE 26 -4.729 0.202 -0.760 167 HD11 ILE 26 3HD1 ILE 26 -1.844 -3.385 -2.670 168 HD12 ILE 26 1HD1 ILE 26 -2.276 -1.676 -2.660 169 HD13 ILE 26 2HD1 ILE 26 -1.260 -2.337 -1.378 170 H THR 27 H THR 27 -7.846 -1.691 0.074 171 HA THR 27 HA THR 27 -8.867 -0.083 -2.175 172 HB THR 27 HB THR 27 -11.108 -0.343 -1.213 173 HG1 THR 27 1HG THR 27 -9.768 -1.986 0.695 174 HG21 THR 27 3HG2 THR 27 -11.403 -2.246 -2.353 175 HG22 THR 27 1HG2 THR 27 -10.397 -3.163 -1.233 176 HG23 THR 27 2HG2 THR 27 -9.652 -2.271 -2.559 177 H TRP 28 H TRP 28 -8.087 1.924 -1.780 178 HA TRP 28 HA TRP 28 -8.587 3.073 0.886 179 HB2 TRP 28 1HB TRP 28 -6.779 4.642 0.439 180 HB3 TRP 28 2HB TRP 28 -6.204 2.991 0.232 181 HD1 TRP 28 HD TRP 28 -6.476 6.259 -1.559 182 HE1 TRP 28 1HE TRP 28 -5.595 6.017 -3.965 183 HE3 TRP 28 3HE TRP 28 -6.142 1.163 -1.792 184 HZ2 TRP 28 2HZ TRP 28 -4.857 3.940 -5.729 185 HZ3 TRP 28 3HZ TRP 28 -5.340 0.128 -3.875 186 HH2 TRP 28 HH TRP 28 -4.712 1.489 -5.802 187 H GLU 29 H GLU 29 -8.794 5.577 0.722 188 HA GLU 29 HA GLU 29 -10.380 6.349 -1.617 189 HB2 GLU 29 1HB GLU 29 -11.304 6.240 1.221 190 HB3 GLU 29 2HB GLU 29 -11.894 7.540 0.194 191 HG2 GLU 29 1HG GLU 29 -12.064 4.690 -0.695 192 HG3 GLU 29 2HG GLU 29 -13.272 5.379 0.388 193 HA PRO 30 HA PRO 30 -8.330 10.217 -1.341 194 HB2 PRO 30 1HB PRO 30 -10.273 11.958 -2.091 195 HB3 PRO 30 2HB PRO 30 -9.485 10.853 -3.222 196 HG2 PRO 30 1HG PRO 30 -12.131 10.587 -1.848 197 HG3 PRO 30 2HG PRO 30 -11.705 10.236 -3.534 198 HD2 PRO 30 1HD PRO 30 -11.939 8.299 -1.656 199 HD3 PRO 30 2HD PRO 30 -10.793 8.185 -3.007 200 HA PRO 31 HA PRO 31 -9.248 11.675 2.767 201 HB2 PRO 31 1HB PRO 31 -7.244 13.504 2.888 202 HB3 PRO 31 2HB PRO 31 -6.972 11.767 3.072 203 HG2 PRO 31 1HG PRO 31 -6.587 13.500 0.661 204 HG3 PRO 31 2HG PRO 31 -5.541 12.216 1.294 205 HD2 PRO 31 1HD PRO 31 -7.222 11.828 -0.793 206 HD3 PRO 31 2HD PRO 31 -6.820 10.540 0.361 207 H ALA 32 H ALA 32 -10.620 13.196 3.465 208 HA ALA 32 HA ALA 32 -11.491 15.270 1.666 209 HB1 ALA 32 3HB ALA 32 -12.796 15.772 4.004 210 HB2 ALA 32 1HB ALA 32 -13.356 14.664 2.751 211 HB3 ALA 32 2HB ALA 32 -12.464 14.045 4.141 212 H TYR 33 H TYR 33 -9.589 15.050 4.608 213 HA TYR 33 HA TYR 33 -9.312 17.967 4.686 214 HB2 TYR 33 1HB TYR 33 -8.025 17.352 6.864 215 HB3 TYR 33 2HB TYR 33 -9.781 17.239 6.845 216 HD1 TYR 33 2HD TYR 33 -6.648 15.300 6.772 217 HD2 TYR 33 1HD TYR 33 -10.888 15.131 7.080 218 HE1 TYR 33 2HE TYR 33 -6.497 12.949 7.475 219 HE2 TYR 33 1HE TYR 33 -10.749 12.778 7.785 220 HH TYR 33 HH TYR 33 -8.801 10.837 7.343 221 H ALA 34 H ALA 34 -8.080 17.230 2.526 222 HA ALA 34 HA ALA 34 -5.237 16.885 3.219 223 HB1 ALA 34 3HB ALA 34 -6.800 16.122 0.776 224 HB2 ALA 34 1HB ALA 34 -5.044 16.280 0.735 225 HB3 ALA 34 2HB ALA 34 -5.800 15.107 1.814 226 H ASN 35 H ASN 35 -3.688 18.057 1.843 227 HA ASN 35 HA ASN 35 -4.565 20.800 1.480 228 HB2 ASN 35 1HB ASN 35 -2.428 20.208 2.662 229 HB3 ASN 35 2HB ASN 35 -1.790 19.657 1.116 230 HD21 ASN 35 1HD2 ASN 35 -1.920 22.192 3.200 231 HD22 ASN 35 2HD2 ASN 35 -1.535 23.479 2.113 232 H GLY 36 H GLY 36 -5.662 21.057 -0.395 233 HA2 GLY 36 1HA GLY 36 -5.901 21.403 -2.660 234 HA3 GLY 36 2HA GLY 36 -4.195 21.022 -2.842 235 HA PRO 37 HA PRO 37 -6.559 17.643 -4.903 236 HB2 PRO 37 1HB PRO 37 -4.871 17.456 -7.020 237 HB3 PRO 37 2HB PRO 37 -6.210 18.608 -6.958 238 HG2 PRO 37 1HG PRO 37 -3.302 19.052 -6.402 239 HG3 PRO 37 2HG PRO 37 -4.435 20.068 -7.312 240 HD2 PRO 37 1HD PRO 37 -3.729 20.604 -4.753 241 HD3 PRO 37 2HD PRO 37 -5.335 20.993 -5.402 242 H VAL 38 H VAL 38 -5.454 15.584 -5.961 243 HA VAL 38 HA VAL 38 -3.134 14.795 -4.334 244 HB VAL 38 HB VAL 38 -5.655 13.180 -4.734 245 HG11 VAL 38 1HG1 VAL 38 -2.968 12.294 -4.397 246 HG12 VAL 38 2HG1 VAL 38 -3.877 11.919 -2.932 247 HG13 VAL 38 3HG1 VAL 38 -4.444 11.336 -4.497 248 HG21 VAL 38 3HG2 VAL 38 -6.055 14.633 -2.957 249 HG22 VAL 38 1HG2 VAL 38 -5.477 13.169 -2.163 250 HG23 VAL 38 2HG2 VAL 38 -4.391 14.541 -2.380 251 H GLN 39 H GLN 39 -1.722 14.884 -6.056 252 HA GLN 39 HA GLN 39 -1.992 14.188 -8.648 253 HB2 GLN 39 1HB GLN 39 0.335 13.609 -6.817 254 HB3 GLN 39 2HB GLN 39 0.410 13.403 -8.562 255 HG2 GLN 39 1HG GLN 39 -0.405 16.016 -7.355 256 HG3 GLN 39 2HG GLN 39 1.295 15.581 -7.529 257 HE21 GLN 39 1HE2 GLN 39 -0.843 17.453 -8.869 258 HE22 GLN 39 2HE2 GLN 39 -0.446 17.311 -10.545 259 H GLY 40 H GLY 40 -1.484 11.927 -5.968 260 HA2 GLY 40 1HA GLY 40 -2.966 9.851 -7.101 261 HA3 GLY 40 2HA GLY 40 -1.286 9.592 -7.548 262 H TYR 41 H TYR 41 -0.833 7.818 -6.340 263 HA TYR 41 HA TYR 41 -0.556 8.233 -3.484 264 HB2 TYR 41 1HB TYR 41 -2.088 5.825 -4.471 265 HB3 TYR 41 2HB TYR 41 -1.816 6.314 -2.802 266 HD1 TYR 41 1HD TYR 41 -3.613 7.182 -5.916 267 HD2 TYR 41 2HD TYR 41 -3.252 7.870 -1.733 268 HE1 TYR 41 1HE TYR 41 -5.733 8.430 -5.945 269 HE2 TYR 41 2HE TYR 41 -5.372 9.118 -1.750 270 HH TYR 41 HH TYR 41 -6.909 10.117 -3.089 271 H ARG 42 H ARG 42 1.143 7.138 -2.636 272 HA ARG 42 HA ARG 42 2.619 5.380 -4.477 273 HB2 ARG 42 1HB ARG 42 3.559 7.632 -3.429 274 HB3 ARG 42 2HB ARG 42 3.916 6.572 -2.073 275 HG2 ARG 42 1HG ARG 42 5.281 5.164 -3.465 276 HG3 ARG 42 2HG ARG 42 4.831 6.089 -4.899 277 HD2 ARG 42 1HD ARG 42 6.111 7.455 -2.567 278 HD3 ARG 42 2HD ARG 42 7.100 6.557 -3.718 279 HE ARG 42 HE ARG 42 6.648 8.159 -5.333 280 HH11 ARG 42 1HH1 ARG 42 4.796 8.755 -2.447 281 HH12 ARG 42 2HH1 ARG 42 4.327 10.354 -2.921 282 HH21 ARG 42 1HH2 ARG 42 6.038 10.263 -5.969 283 HH22 ARG 42 2HH2 ARG 42 5.034 11.210 -4.925 284 H LEU 43 H LEU 43 2.849 3.302 -3.970 285 HA LEU 43 HA LEU 43 2.150 2.454 -1.241 286 HB2 LEU 43 1HB LEU 43 0.638 1.477 -2.750 287 HB3 LEU 43 2HB LEU 43 1.912 1.101 -3.909 288 HG LEU 43 HG LEU 43 2.785 -0.539 -2.156 289 HD11 LEU 43 1HD1 LEU 43 0.556 -1.321 -0.860 290 HD12 LEU 43 2HD1 LEU 43 0.320 0.426 -0.870 291 HD13 LEU 43 3HD1 LEU 43 1.781 -0.261 -0.162 292 HD21 LEU 43 3HD2 LEU 43 0.302 -1.773 -2.814 293 HD22 LEU 43 1HD2 LEU 43 1.886 -2.007 -3.554 294 HD23 LEU 43 2HD2 LEU 43 0.805 -0.753 -4.163 295 H PHE 44 H PHE 44 3.452 1.013 -0.133 296 HA PHE 44 HA PHE 44 6.042 0.363 -1.368 297 HB2 PHE 44 1HB PHE 44 5.695 1.247 1.502 298 HB3 PHE 44 2HB PHE 44 7.211 0.920 0.667 299 HD1 PHE 44 2HD PHE 44 7.700 2.391 -1.417 300 HD2 PHE 44 1HD PHE 44 4.906 3.408 1.628 301 HE1 PHE 44 2HE PHE 44 7.847 4.757 -2.078 302 HE2 PHE 44 1HE PHE 44 5.048 5.776 0.972 303 HZ PHE 44 HZ PHE 44 6.520 6.453 -0.882 304 H CYS 45 H CYS 45 6.144 -1.774 -1.514 305 HA CYS 45 HA CYS 45 4.880 -3.413 0.567 306 HB2 CYS 45 1HB CYS 45 4.103 -3.953 -1.643 307 HB3 CYS 45 2HB CYS 45 5.750 -4.067 -2.251 308 HG CYS 45 HG CYS 45 6.287 -6.317 -0.500 309 H THR 46 H THR 46 6.138 -4.241 2.084 310 HA THR 46 HA THR 46 8.944 -4.850 1.413 311 HB THR 46 HB THR 46 7.909 -3.923 4.099 312 HG1 THR 46 1HG THR 46 7.960 -2.146 2.784 313 HG21 THR 46 3HG2 THR 46 9.772 -5.010 4.773 314 HG22 THR 46 1HG2 THR 46 10.594 -3.579 4.153 315 HG23 THR 46 2HG2 THR 46 10.472 -5.028 3.155 316 H GLU 47 H GLU 47 9.754 -6.796 2.046 317 HA GLU 47 HA GLU 47 7.815 -8.730 3.060 318 HB2 GLU 47 1HB GLU 47 9.188 -9.170 0.987 319 HB3 GLU 47 2HB GLU 47 10.600 -9.268 2.028 320 HG2 GLU 47 1HG GLU 47 9.639 -11.151 3.207 321 HG3 GLU 47 2HG GLU 47 8.171 -11.031 2.239 322 H VAL 48 H VAL 48 7.747 -9.110 5.164 323 HA VAL 48 HA VAL 48 9.712 -8.244 6.997 324 HB VAL 48 HB VAL 48 7.509 -10.272 7.407 325 HG11 VAL 48 1HG1 VAL 48 9.273 -10.405 9.111 326 HG12 VAL 48 2HG1 VAL 48 9.073 -8.682 9.439 327 HG13 VAL 48 3HG1 VAL 48 7.754 -9.805 9.777 328 HG21 VAL 48 3HG2 VAL 48 6.185 -8.452 8.244 329 HG22 VAL 48 1HG2 VAL 48 7.534 -7.330 8.064 330 HG23 VAL 48 2HG2 VAL 48 6.767 -8.023 6.636 331 H SER 49 H SER 49 9.358 -11.138 5.155 332 HA SER 49 HA SER 49 10.868 -12.887 6.790 333 HB2 SER 49 1HB SER 49 9.372 -13.659 4.967 334 HB3 SER 49 2HB SER 49 10.492 -12.980 3.786 335 HG SER 49 HG SER 49 10.831 -15.189 5.497 336 H THR 50 H THR 50 11.768 -11.075 3.855 337 HA THR 50 HA THR 50 14.591 -11.550 4.442 338 HB THR 50 HB THR 50 14.917 -10.353 2.207 339 HG1 THR 50 1HG THR 50 12.782 -9.424 2.164 340 HG21 THR 50 3HG2 THR 50 14.807 -12.352 1.092 341 HG22 THR 50 1HG2 THR 50 13.232 -12.769 1.767 342 HG23 THR 50 2HG2 THR 50 14.686 -12.934 2.753 343 H GLY 51 H GLY 51 12.342 -8.852 3.909 344 HA2 GLY 51 1HA GLY 51 12.462 -6.890 5.300 345 HA3 GLY 51 2HA GLY 51 14.197 -7.142 5.430 346 H LYS 52 H LYS 52 12.762 -7.554 2.329 347 HA LYS 52 HA LYS 52 14.140 -5.150 1.398 348 HB2 LYS 52 1HB LYS 52 12.915 -7.444 -0.146 349 HB3 LYS 52 2HB LYS 52 13.794 -6.098 -0.860 350 HG2 LYS 52 1HG LYS 52 15.831 -6.839 -0.087 351 HG3 LYS 52 2HG LYS 52 15.112 -7.769 1.230 352 HD2 LYS 52 1HD LYS 52 14.352 -9.456 -0.275 353 HD3 LYS 52 2HD LYS 52 14.768 -8.472 -1.680 354 HE2 LYS 52 1HE LYS 52 16.492 -10.062 -1.501 355 HE3 LYS 52 2HE LYS 52 17.166 -8.569 -0.849 356 HZ1 LYS 52 3HZ LYS 52 16.301 -10.988 0.603 357 HZ2 LYS 52 1HZ LYS 52 16.403 -9.496 1.394 358 HZ3 LYS 52 2HZ LYS 52 17.781 -10.173 0.685 359 H GLU 53 H GLU 53 13.119 -3.389 0.644 360 HA GLU 53 HA GLU 53 10.179 -3.468 0.568 361 HB2 GLU 53 1HB GLU 53 11.023 -1.931 2.233 362 HB3 GLU 53 2HB GLU 53 12.075 -1.166 1.050 363 HG2 GLU 53 1HG GLU 53 10.059 -0.438 -0.196 364 HG3 GLU 53 2HG GLU 53 9.068 -1.094 1.107 365 H GLN 54 H GLN 54 9.075 -2.781 -1.207 366 HA GLN 54 HA GLN 54 10.657 -1.822 -3.496 367 HB2 GLN 54 1HB GLN 54 9.448 -3.228 -5.002 368 HB3 GLN 54 2HB GLN 54 10.040 -4.246 -3.696 369 HG2 GLN 54 1HG GLN 54 7.825 -4.159 -2.645 370 HG3 GLN 54 2HG GLN 54 7.240 -3.183 -3.991 371 HE21 GLN 54 1HE2 GLN 54 5.758 -5.207 -3.772 372 HE22 GLN 54 2HE2 GLN 54 6.151 -6.507 -4.839 373 H ASN 55 H ASN 55 9.938 0.027 -4.315 374 HA ASN 55 HA ASN 55 7.409 1.107 -3.397 375 HB2 ASN 55 1HB ASN 55 9.112 2.554 -5.373 376 HB3 ASN 55 2HB ASN 55 8.217 3.180 -3.992 377 HD21 ASN 55 1HD2 ASN 55 9.233 3.450 -2.097 378 HD22 ASN 55 2HD2 ASN 55 10.886 3.039 -1.803 379 H ILE 56 H ILE 56 5.641 1.552 -4.646 380 HA ILE 56 HA ILE 56 5.751 0.890 -7.499 381 HB ILE 56 HB ILE 56 3.670 -0.197 -5.598 382 HG12 ILE 56 1HG1 ILE 56 5.464 -1.849 -7.343 383 HG13 ILE 56 2HG1 ILE 56 6.057 -1.253 -5.797 384 HG21 ILE 56 1HG2 ILE 56 2.657 -1.243 -7.509 385 HG22 ILE 56 2HG2 ILE 56 2.786 0.489 -7.812 386 HG23 ILE 56 3HG2 ILE 56 3.923 -0.625 -8.570 387 HD11 ILE 56 3HD1 ILE 56 3.647 -3.001 -6.228 388 HD12 ILE 56 1HD1 ILE 56 5.206 -3.501 -5.574 389 HD13 ILE 56 2HD1 ILE 56 4.191 -2.375 -4.672 390 H GLU 57 H GLU 57 4.217 1.938 -8.784 391 HA GLU 57 HA GLU 57 2.763 4.115 -7.429 392 HB2 GLU 57 1HB GLU 57 4.395 4.047 -9.909 393 HB3 GLU 57 2HB GLU 57 2.953 5.052 -9.934 394 HG2 GLU 57 1HG GLU 57 3.901 5.962 -7.680 395 HG3 GLU 57 2HG GLU 57 5.425 5.324 -8.296 396 H VAL 58 H VAL 58 0.702 3.469 -7.282 397 HA VAL 58 HA VAL 58 -0.549 2.220 -9.635 398 HB VAL 58 HB VAL 58 -2.262 1.361 -8.157 399 HG11 VAL 58 1HG1 VAL 58 0.560 0.876 -7.229 400 HG12 VAL 58 2HG1 VAL 58 -0.819 -0.067 -6.659 401 HG13 VAL 58 3HG1 VAL 58 -0.389 -0.076 -8.370 402 HG21 VAL 58 3HG2 VAL 58 -0.839 2.364 -5.735 403 HG22 VAL 58 1HG2 VAL 58 -1.947 3.438 -6.589 404 HG23 VAL 58 2HG2 VAL 58 -2.530 1.906 -5.939 405 H ASP 59 H ASP 59 -3.053 2.699 -9.596 406 HA ASP 59 HA ASP 59 -3.587 5.500 -8.964 407 HB2 ASP 59 1HB ASP 59 -4.690 5.596 -11.344 408 HB3 ASP 59 2HB ASP 59 -2.966 5.901 -11.156 409 H GLY 60 H GLY 60 -5.845 6.042 -8.951 410 HA2 GLY 60 1HA GLY 60 -8.144 5.514 -9.005 411 HA3 GLY 60 2HA GLY 60 -7.727 3.816 -9.177 412 H LEU 61 H LEU 61 -9.157 3.209 -7.529 413 HA LEU 61 HA LEU 61 -8.147 3.780 -4.829 414 HB2 LEU 61 1HB LEU 61 -11.060 3.606 -5.581 415 HB3 LEU 61 2HB LEU 61 -10.410 3.890 -3.968 416 HG LEU 61 HG LEU 61 -10.117 5.780 -6.302 417 HD11 LEU 61 1HD1 LEU 61 -11.673 6.818 -4.154 418 HD12 LEU 61 2HD1 LEU 61 -12.362 5.277 -4.664 419 HD13 LEU 61 3HD1 LEU 61 -12.133 6.572 -5.839 420 HD21 LEU 61 3HD2 LEU 61 -9.732 6.586 -3.473 421 HD22 LEU 61 1HD2 LEU 61 -8.953 7.180 -4.940 422 HD23 LEU 61 2HD2 LEU 61 -8.453 5.642 -4.238 423 H SER 62 H SER 62 -7.625 1.536 -6.543 424 HA SER 62 HA SER 62 -8.064 -0.572 -4.730 425 HB2 SER 62 1HB SER 62 -9.532 -1.988 -6.213 426 HB3 SER 62 2HB SER 62 -10.346 -0.606 -5.478 427 HG SER 62 HG SER 62 -9.185 -0.136 -7.943 428 H TYR 63 H TYR 63 -6.314 -1.778 -4.974 429 HA TYR 63 HA TYR 63 -5.373 -2.421 -7.672 430 HB2 TYR 63 1HB TYR 63 -4.051 -0.486 -6.887 431 HB3 TYR 63 2HB TYR 63 -3.570 -1.404 -5.464 432 HD1 TYR 63 2HD TYR 63 -2.102 -3.402 -5.730 433 HD2 TYR 63 1HD TYR 63 -2.961 -0.792 -8.978 434 HE1 TYR 63 2HE TYR 63 -0.177 -4.312 -6.962 435 HE2 TYR 63 1HE TYR 63 -1.040 -1.695 -10.220 436 HH TYR 63 HH TYR 63 1.248 -2.882 -9.463 437 H LYS 64 H LYS 64 -5.289 -4.551 -7.823 438 HA LYS 64 HA LYS 64 -5.024 -6.181 -5.425 439 HB2 LYS 64 1HB LYS 64 -6.769 -6.806 -6.979 440 HB3 LYS 64 2HB LYS 64 -5.613 -6.897 -8.301 441 HG2 LYS 64 1HG LYS 64 -4.716 -8.886 -7.559 442 HG3 LYS 64 2HG LYS 64 -5.254 -8.629 -5.897 443 HD2 LYS 64 1HD LYS 64 -7.333 -8.877 -8.005 444 HD3 LYS 64 2HD LYS 64 -6.468 -10.340 -7.528 445 HE2 LYS 64 1HE LYS 64 -7.321 -10.311 -5.400 446 HE3 LYS 64 2HE LYS 64 -7.538 -8.562 -5.394 447 HZ1 LYS 64 3HZ LYS 64 -9.167 -9.996 -7.310 448 HZ2 LYS 64 1HZ LYS 64 -9.582 -8.731 -6.266 449 HZ3 LYS 64 2HZ LYS 64 -9.529 -10.320 -5.689 450 H LEU 65 H LEU 65 -3.004 -6.516 -4.746 451 HA LEU 65 HA LEU 65 -0.745 -6.500 -6.495 452 HB2 LEU 65 1HB LEU 65 -1.014 -5.990 -3.901 453 HB3 LEU 65 2HB LEU 65 -0.565 -7.690 -3.780 454 HG LEU 65 HG LEU 65 1.408 -6.884 -5.370 455 HD11 LEU 65 1HD1 LEU 65 1.313 -4.669 -5.680 456 HD12 LEU 65 2HD1 LEU 65 1.964 -4.571 -4.044 457 HD13 LEU 65 3HD1 LEU 65 0.227 -4.423 -4.312 458 HD21 LEU 65 3HD2 LEU 65 2.039 -7.940 -3.426 459 HD22 LEU 65 1HD2 LEU 65 1.117 -6.841 -2.401 460 HD23 LEU 65 2HD2 LEU 65 2.629 -6.304 -3.132 461 H GLU 66 H GLU 66 0.596 -8.212 -7.085 462 HA GLU 66 HA GLU 66 -0.266 -10.929 -6.469 463 HB2 GLU 66 1HB GLU 66 0.171 -10.106 -9.336 464 HB3 GLU 66 2HB GLU 66 -0.474 -11.626 -8.732 465 HG2 GLU 66 1HG GLU 66 -2.441 -10.367 -7.868 466 HG3 GLU 66 2HG GLU 66 -1.813 -8.935 -8.680 467 H GLY 67 H GLY 67 1.326 -12.552 -7.043 468 HA2 GLY 67 1HA GLY 67 3.484 -13.278 -7.598 469 HA3 GLY 67 2HA GLY 67 3.964 -11.603 -7.827 470 H LEU 68 H LEU 68 2.315 -12.730 -4.954 471 HA LEU 68 HA LEU 68 4.683 -12.009 -3.388 472 HB2 LEU 68 1HB LEU 68 1.831 -12.470 -2.528 473 HB3 LEU 68 2HB LEU 68 3.147 -11.964 -1.472 474 HG LEU 68 HG LEU 68 2.564 -10.250 -3.821 475 HD11 LEU 68 1HD1 LEU 68 0.830 -9.080 -2.329 476 HD12 LEU 68 2HD1 LEU 68 0.704 -10.633 -1.503 477 HD13 LEU 68 3HD1 LEU 68 0.331 -10.516 -3.223 478 HD21 LEU 68 3HD2 LEU 68 3.742 -10.048 -1.132 479 HD22 LEU 68 1HD2 LEU 68 2.795 -8.655 -1.653 480 HD23 LEU 68 2HD2 LEU 68 4.160 -9.206 -2.625 481 H LYS 69 H LYS 69 4.552 -13.349 -1.141 482 HA LYS 69 HA LYS 69 5.099 -16.087 -1.946 483 HB2 LYS 69 1HB LYS 69 5.572 -14.539 0.597 484 HB3 LYS 69 2HB LYS 69 5.859 -16.270 0.486 485 HG2 LYS 69 1HG LYS 69 7.466 -15.869 -1.330 486 HG3 LYS 69 2HG LYS 69 7.203 -14.132 -1.156 487 HD2 LYS 69 1HD LYS 69 8.281 -14.041 0.885 488 HD3 LYS 69 2HD LYS 69 8.000 -15.750 1.227 489 HE2 LYS 69 1HE LYS 69 9.763 -14.901 -1.043 490 HE3 LYS 69 2HE LYS 69 10.384 -14.972 0.605 491 HZ1 LYS 69 3HZ LYS 69 8.929 -17.317 -0.290 492 HZ2 LYS 69 1HZ LYS 69 10.356 -17.205 0.613 493 HZ3 LYS 69 2HZ LYS 69 10.405 -17.038 -1.069 494 H LYS 70 H LYS 70 3.898 -17.828 -1.446 495 HA LYS 70 HA LYS 70 1.297 -17.955 -1.062 496 HB2 LYS 70 1HB LYS 70 3.026 -19.876 -1.063 497 HB3 LYS 70 2HB LYS 70 2.978 -19.731 0.690 498 HG2 LYS 70 1HG LYS 70 1.459 -21.428 0.200 499 HG3 LYS 70 2HG LYS 70 0.451 -20.005 0.471 500 HD2 LYS 70 1HD LYS 70 -0.458 -20.923 -1.459 501 HD3 LYS 70 2HD LYS 70 0.631 -19.685 -2.091 502 HE2 LYS 70 1HE LYS 70 1.470 -22.551 -1.742 503 HE3 LYS 70 2HE LYS 70 0.699 -21.967 -3.215 504 HZ1 LYS 70 3HZ LYS 70 2.880 -21.681 -3.748 505 HZ2 LYS 70 1HZ LYS 70 3.366 -21.384 -2.155 506 HZ3 LYS 70 2HZ LYS 70 2.583 -20.174 -3.040 507 H PHE 71 H PHE 71 3.270 -18.314 1.882 508 HA PHE 71 HA PHE 71 1.346 -16.593 3.291 509 HB2 PHE 71 1HB PHE 71 0.899 -19.005 3.757 510 HB3 PHE 71 2HB PHE 71 2.526 -19.141 4.414 511 HD1 PHE 71 1HD PHE 71 3.111 -17.483 6.335 512 HD2 PHE 71 2HD PHE 71 -0.853 -18.498 5.163 513 HE1 PHE 71 1HE PHE 71 2.281 -16.772 8.540 514 HE2 PHE 71 2HE PHE 71 -1.689 -17.787 7.365 515 HZ PHE 71 HZ PHE 71 -0.122 -16.922 9.056 516 H THR 72 H THR 72 2.597 -14.826 3.569 517 HA THR 72 HA THR 72 4.866 -15.074 5.366 518 HB THR 72 HB THR 72 5.144 -13.843 2.619 519 HG1 THR 72 1HG THR 72 5.469 -16.200 2.994 520 HG21 THR 72 3HG2 THR 72 7.553 -13.488 3.479 521 HG22 THR 72 1HG2 THR 72 6.839 -13.616 5.086 522 HG23 THR 72 2HG2 THR 72 6.307 -12.346 3.983 523 H GLU 73 H GLU 73 4.609 -13.585 6.886 524 HA GLU 73 HA GLU 73 2.676 -11.594 6.870 525 HB2 GLU 73 1HB GLU 73 3.746 -12.457 8.913 526 HB3 GLU 73 2HB GLU 73 5.244 -11.655 8.464 527 HG2 GLU 73 1HG GLU 73 4.323 -9.517 8.801 528 HG3 GLU 73 2HG GLU 73 2.680 -10.152 8.867 529 H TYR 74 H TYR 74 2.603 -10.113 5.281 530 HA TYR 74 HA TYR 74 5.059 -8.691 4.548 531 HB2 TYR 74 1HB TYR 74 2.415 -9.109 3.201 532 HB3 TYR 74 2HB TYR 74 3.419 -7.739 2.742 533 HD1 TYR 74 2HD TYR 74 5.899 -8.308 2.136 534 HD2 TYR 74 1HD TYR 74 2.735 -11.153 2.152 535 HE1 TYR 74 2HE TYR 74 7.205 -9.761 0.641 536 HE2 TYR 74 1HE TYR 74 4.032 -12.613 0.658 537 HH TYR 74 HH TYR 74 7.078 -12.573 0.237 538 H SER 75 H SER 75 5.180 -6.433 4.558 539 HA SER 75 HA SER 75 3.084 -5.064 6.113 540 HB2 SER 75 1HB SER 75 5.113 -5.475 7.484 541 HB3 SER 75 2HB SER 75 6.066 -4.569 6.309 542 HG SER 75 HG SER 75 3.835 -3.249 7.233 543 H LEU 76 H LEU 76 2.087 -3.734 4.749 544 HA LEU 76 HA LEU 76 3.653 -2.353 2.689 545 HB2 LEU 76 1HB LEU 76 0.659 -2.392 2.913 546 HB3 LEU 76 2HB LEU 76 1.646 -2.022 1.500 547 HG LEU 76 HG LEU 76 1.442 -4.757 2.754 548 HD11 LEU 76 1HD1 LEU 76 -0.553 -4.932 1.799 549 HD12 LEU 76 2HD1 LEU 76 0.245 -4.766 0.236 550 HD13 LEU 76 3HD1 LEU 76 -0.399 -3.342 1.052 551 HD21 LEU 76 3HD2 LEU 76 2.679 -3.715 0.215 552 HD22 LEU 76 1HD2 LEU 76 2.356 -5.424 0.508 553 HD23 LEU 76 2HD2 LEU 76 3.477 -4.547 1.551 554 H ARG 77 H ARG 77 2.864 -0.083 2.180 555 HA ARG 77 HA ARG 77 1.878 1.395 4.483 556 HB2 ARG 77 1HB ARG 77 4.310 1.301 4.840 557 HB3 ARG 77 2HB ARG 77 4.570 1.985 3.241 558 HG2 ARG 77 1HG ARG 77 3.046 3.912 4.183 559 HG3 ARG 77 2HG ARG 77 3.618 3.290 5.732 560 HD2 ARG 77 1HD ARG 77 5.415 4.083 3.445 561 HD3 ARG 77 2HD ARG 77 5.006 5.136 4.799 562 HE ARG 77 HE ARG 77 6.103 2.609 5.605 563 HH11 ARG 77 1HH1 ARG 77 6.850 5.851 4.582 564 HH12 ARG 77 2HH1 ARG 77 8.408 5.871 5.339 565 HH21 ARG 77 1HH2 ARG 77 8.152 2.622 6.607 566 HH22 ARG 77 2HH2 ARG 77 9.149 4.033 6.490 567 H PHE 78 H PHE 78 0.326 2.639 3.690 568 HA PHE 78 HA PHE 78 0.616 3.703 0.963 569 HB2 PHE 78 1HB PHE 78 -1.406 2.210 1.795 570 HB3 PHE 78 2HB PHE 78 -1.995 3.751 2.411 571 HD1 PHE 78 1HD PHE 78 -0.877 2.015 -0.663 572 HD2 PHE 78 2HD PHE 78 -3.021 5.300 0.990 573 HE1 PHE 78 1HE PHE 78 -1.749 2.566 -2.897 574 HE2 PHE 78 2HE PHE 78 -3.896 5.856 -1.241 575 HZ PHE 78 HZ PHE 78 -3.261 4.488 -3.188 576 H LEU 79 H LEU 79 0.235 5.875 0.539 577 HA LEU 79 HA LEU 79 -0.497 7.697 2.643 578 HB2 LEU 79 1HB LEU 79 1.519 8.914 2.793 579 HB3 LEU 79 2HB LEU 79 1.937 7.217 3.021 580 HG LEU 79 HG LEU 79 2.498 7.310 0.471 581 HD11 LEU 79 1HD1 LEU 79 1.621 9.874 0.734 582 HD12 LEU 79 2HD1 LEU 79 2.701 9.299 -0.535 583 HD13 LEU 79 3HD1 LEU 79 3.366 10.070 0.905 584 HD21 LEU 79 3HD2 LEU 79 4.087 6.905 2.312 585 HD22 LEU 79 1HD2 LEU 79 4.275 8.648 2.507 586 HD23 LEU 79 2HD2 LEU 79 4.788 7.868 1.010 587 H ALA 80 H ALA 80 -0.696 9.914 1.878 588 HA ALA 80 HA ALA 80 -1.320 9.977 -0.985 589 HB1 ALA 80 3HB ALA 80 -2.399 11.318 1.408 590 HB2 ALA 80 1HB ALA 80 -2.338 12.290 -0.062 591 HB3 ALA 80 2HB ALA 80 -3.218 10.761 -0.051 592 H TYR 81 H TYR 81 -0.474 11.487 -2.373 593 HA TYR 81 HA TYR 81 1.381 13.487 -1.344 594 HB2 TYR 81 1HB TYR 81 3.218 12.796 -2.721 595 HB3 TYR 81 2HB TYR 81 2.694 11.394 -1.795 596 HD1 TYR 81 1HD TYR 81 2.094 13.019 -5.107 597 HD2 TYR 81 2HD TYR 81 2.412 9.389 -2.910 598 HE1 TYR 81 1HE TYR 81 1.851 11.741 -7.195 599 HE2 TYR 81 2HE TYR 81 2.171 8.101 -4.991 600 HH TYR 81 HH TYR 81 1.812 9.730 -8.129 601 H ASN 82 H ASN 82 1.431 15.317 -2.541 602 HA ASN 82 HA ASN 82 0.046 15.280 -5.140 603 HB2 ASN 82 1HB ASN 82 -0.569 17.735 -4.429 604 HB3 ASN 82 2HB ASN 82 -1.537 16.378 -3.860 605 HD21 ASN 82 1HD2 ASN 82 1.539 17.852 -2.872 606 HD22 ASN 82 2HD2 ASN 82 1.108 18.041 -1.209 607 H ARG 83 H ARG 83 0.465 17.612 -6.193 608 HA ARG 83 HA ARG 83 2.952 17.687 -7.232 609 HB2 ARG 83 1HB ARG 83 2.599 20.032 -7.785 610 HB3 ARG 83 2HB ARG 83 1.103 19.129 -7.981 611 HG2 ARG 83 1HG ARG 83 0.143 20.075 -6.074 612 HG3 ARG 83 2HG ARG 83 1.701 20.635 -5.462 613 HD2 ARG 83 1HD ARG 83 0.241 21.679 -7.886 614 HD3 ARG 83 2HD ARG 83 0.415 22.499 -6.335 615 HE ARG 83 HE ARG 83 2.977 22.011 -7.171 616 HH11 ARG 83 1HH1 ARG 83 0.209 23.676 -8.469 617 HH12 ARG 83 2HH1 ARG 83 1.153 24.825 -9.356 618 HH21 ARG 83 1HH2 ARG 83 4.231 23.518 -8.335 619 HH22 ARG 83 2HH2 ARG 83 3.441 24.735 -9.281 620 H TYR 84 H TYR 84 1.975 19.052 -4.142 621 HA TYR 84 HA TYR 84 4.373 20.456 -3.611 622 HB2 TYR 84 1HB TYR 84 2.592 19.301 -1.479 623 HB3 TYR 84 2HB TYR 84 3.535 20.786 -1.433 624 HD1 TYR 84 1HD TYR 84 2.805 22.205 -3.821 625 HD2 TYR 84 2HD TYR 84 0.353 19.832 -1.278 626 HE1 TYR 84 1HE TYR 84 0.831 23.484 -4.540 627 HE2 TYR 84 2HE TYR 84 -1.627 21.104 -1.991 628 HH TYR 84 HH TYR 84 -1.708 23.037 -4.664 629 H GLY 85 H GLY 85 3.209 17.268 -2.525 630 HA2 GLY 85 1HA GLY 85 5.410 15.757 -2.802 631 HA3 GLY 85 2HA GLY 85 5.788 16.660 -1.343 632 HA PRO 86 HA PRO 86 3.288 12.774 -0.391 633 HB2 PRO 86 1HB PRO 86 5.211 11.498 1.039 634 HB3 PRO 86 2HB PRO 86 5.028 11.307 -0.708 635 HG2 PRO 86 1HG PRO 86 6.936 13.035 0.819 636 HG3 PRO 86 2HG PRO 86 7.237 12.026 -0.608 637 HD2 PRO 86 1HD PRO 86 6.883 14.706 -0.766 638 HD3 PRO 86 2HD PRO 86 6.374 13.598 -2.056 639 H GLY 87 H GLY 87 1.940 13.227 1.230 640 HA2 GLY 87 1HA GLY 87 2.766 14.848 3.467 641 HA3 GLY 87 2HA GLY 87 1.160 14.190 3.189 642 H VAL 88 H VAL 88 0.681 13.214 5.067 643 HA VAL 88 HA VAL 88 2.646 11.699 6.535 644 HB VAL 88 HB VAL 88 -0.326 11.974 7.003 645 HG11 VAL 88 1HG1 VAL 88 -0.005 10.250 8.392 646 HG12 VAL 88 2HG1 VAL 88 1.752 10.383 8.295 647 HG13 VAL 88 3HG1 VAL 88 0.850 11.406 9.413 648 HG21 VAL 88 3HG2 VAL 88 1.778 13.313 8.645 649 HG22 VAL 88 1HG2 VAL 88 1.277 14.032 7.114 650 HG23 VAL 88 2HG2 VAL 88 0.092 13.765 8.393 651 H SER 89 H SER 89 2.686 9.485 6.863 652 HA SER 89 HA SER 89 1.302 7.919 4.805 653 HB2 SER 89 1HB SER 89 2.998 6.151 5.399 654 HB3 SER 89 2HB SER 89 3.687 7.635 4.741 655 HG SER 89 HG SER 89 3.687 6.706 7.403 656 H THR 90 H THR 90 0.515 5.765 5.393 657 HA THR 90 HA THR 90 -0.939 5.877 7.908 658 HB THR 90 HB THR 90 -2.181 3.936 7.068 659 HG1 THR 90 1HG THR 90 -1.060 2.727 5.728 660 HG21 THR 90 3HG2 THR 90 -3.384 5.045 5.373 661 HG22 THR 90 1HG2 THR 90 -1.957 5.917 4.814 662 HG23 THR 90 2HG2 THR 90 -2.697 6.336 6.359 663 H ASP 91 H ASP 91 -1.008 4.104 9.394 664 HA ASP 91 HA ASP 91 1.474 3.165 10.213 665 HB2 ASP 91 1HB ASP 91 -1.227 1.932 10.796 666 HB3 ASP 91 2HB ASP 91 0.248 1.681 11.726 667 H ASP 92 H ASP 92 2.620 1.304 9.920 668 HA ASP 92 HA ASP 92 2.662 -0.010 7.546 669 HB2 ASP 92 1HB ASP 92 3.346 -1.219 10.234 670 HB3 ASP 92 2HB ASP 92 3.887 -1.827 8.672 671 H ILE 93 H ILE 93 1.167 -1.127 6.499 672 HA ILE 93 HA ILE 93 -1.001 -2.411 7.927 673 HB ILE 93 HB ILE 93 -0.455 -2.260 4.960 674 HG12 ILE 93 1HG1 ILE 93 -2.577 -0.746 6.458 675 HG13 ILE 93 2HG1 ILE 93 -0.942 -0.109 6.324 676 HG21 ILE 93 1HG2 ILE 93 -2.353 -3.412 4.559 677 HG22 ILE 93 2HG2 ILE 93 -2.028 -4.084 6.156 678 HG23 ILE 93 3HG2 ILE 93 -3.177 -2.758 5.975 679 HD11 ILE 93 3HD1 ILE 93 -1.955 0.903 4.548 680 HD12 ILE 93 1HD1 ILE 93 -1.313 -0.545 3.773 681 HD13 ILE 93 2HD1 ILE 93 -3.015 -0.469 4.228 682 H THR 94 H THR 94 -0.325 -4.246 8.915 683 HA THR 94 HA THR 94 1.351 -6.152 7.505 684 HB THR 94 HB THR 94 0.105 -6.460 10.240 685 HG1 THR 94 1HG THR 94 1.687 -5.258 11.012 686 HG21 THR 94 3HG2 THR 94 2.248 -7.901 8.718 687 HG22 THR 94 1HG2 THR 94 0.871 -8.564 9.596 688 HG23 THR 94 2HG2 THR 94 2.244 -7.899 10.481 689 H VAL 95 H VAL 95 0.454 -7.523 6.119 690 HA VAL 95 HA VAL 95 -2.067 -8.833 6.870 691 HB VAL 95 HB VAL 95 -1.426 -7.748 4.124 692 HG11 VAL 95 1HG1 VAL 95 -3.428 -8.709 3.339 693 HG12 VAL 95 2HG1 VAL 95 -2.614 -9.991 4.240 694 HG13 VAL 95 3HG1 VAL 95 -3.963 -9.119 4.969 695 HG21 VAL 95 3HG2 VAL 95 -3.027 -6.115 4.458 696 HG22 VAL 95 1HG2 VAL 95 -3.822 -7.014 5.751 697 HG23 VAL 95 2HG2 VAL 95 -2.278 -6.216 6.051 698 H VAL 96 H VAL 96 -1.440 -10.870 7.222 699 HA VAL 96 HA VAL 96 0.718 -12.105 5.795 700 HB VAL 96 HB VAL 96 -1.326 -13.364 7.631 701 HG11 VAL 96 1HG1 VAL 96 1.061 -14.394 6.209 702 HG12 VAL 96 2HG1 VAL 96 0.809 -14.937 7.869 703 HG13 VAL 96 3HG1 VAL 96 -0.437 -15.212 6.651 704 HG21 VAL 96 3HG2 VAL 96 1.127 -13.229 8.925 705 HG22 VAL 96 1HG2 VAL 96 0.958 -11.660 8.137 706 HG23 VAL 96 2HG2 VAL 96 -0.290 -12.229 9.246 707 H THR 97 H THR 97 0.574 -12.921 3.823 708 HA THR 97 HA THR 97 -1.742 -13.177 2.320 709 HB THR 97 HB THR 97 -0.329 -14.822 0.914 710 HG1 THR 97 1HG THR 97 1.648 -15.242 1.600 711 HG21 THR 97 3HG2 THR 97 -0.478 -12.652 0.084 712 HG22 THR 97 1HG2 THR 97 1.259 -12.873 0.286 713 HG23 THR 97 2HG2 THR 97 0.342 -11.955 1.481 714 H LEU 98 H LEU 98 -2.942 -14.992 1.608 715 HA LEU 98 HA LEU 98 -3.726 -16.772 3.618 716 HB2 LEU 98 1HB LEU 98 -4.083 -17.251 0.671 717 HB3 LEU 98 2HB LEU 98 -5.110 -17.806 1.992 718 HG LEU 98 HG LEU 98 -4.846 -14.996 0.934 719 HD11 LEU 98 1HD1 LEU 98 -7.270 -16.769 1.128 720 HD12 LEU 98 2HD1 LEU 98 -6.261 -16.651 -0.313 721 HD13 LEU 98 3HD1 LEU 98 -7.117 -15.229 0.282 722 HD21 LEU 98 3HD2 LEU 98 -5.494 -15.868 3.574 723 HD22 LEU 98 1HD2 LEU 98 -6.940 -15.204 2.813 724 HD23 LEU 98 2HD2 LEU 98 -5.473 -14.230 2.919 725 H SER 99 H SER 99 -3.894 -19.280 2.754 726 HA SER 99 HA SER 99 -1.213 -20.177 1.999 727 HB2 SER 99 1HB SER 99 -0.967 -20.313 4.332 728 HB3 SER 99 2HB SER 99 -2.634 -20.837 4.569 729 HG SER 99 HG SER 99 -2.059 -22.819 3.566 730 H ASP 100 H ASP 100 -1.543 -21.394 0.266 731 HA ASP 100 HA ASP 100 -3.969 -22.558 -0.485 732 HB2 ASP 100 1HB ASP 100 -2.761 -23.635 -2.242 733 HB3 ASP 100 2HB ASP 100 -1.991 -22.073 -1.979 734 H SER 101 H SER 101 -1.080 -24.111 0.908 735 HA SER 101 HA SER 101 -2.038 -26.705 1.055 736 HB2 SER 101 1HB SER 101 -0.363 -27.082 2.790 737 HB3 SER 101 2HB SER 101 0.304 -26.045 1.529 738 HG SER 101 HG SER 101 -0.632 -24.329 3.116 739 H GLY 102 H GLY 102 -2.619 -27.919 3.073 740 HA2 GLY 102 1HA GLY 102 -3.575 -27.070 5.422 741 HA3 GLY 102 2HA GLY 102 -4.862 -26.569 4.335 742 HA PRO 103 HA PRO 103 -4.610 -31.433 4.405 743 HB2 PRO 103 1HB PRO 103 -3.534 -32.443 6.683 744 HB3 PRO 103 2HB PRO 103 -2.579 -32.120 5.231 745 HG2 PRO 103 1HG PRO 103 -2.879 -30.466 7.708 746 HG3 PRO 103 2HG PRO 103 -1.415 -30.831 6.777 747 HD2 PRO 103 1HD PRO 103 -2.739 -28.481 6.546 748 HD3 PRO 103 2HD PRO 103 -1.873 -29.226 5.187 749 H SER 104 H SER 104 -6.207 -32.756 5.289 750 HA SER 104 HA SER 104 -7.786 -31.511 7.440 751 HB2 SER 104 1HB SER 104 -8.784 -31.811 5.084 752 HB3 SER 104 2HB SER 104 -8.850 -33.530 5.472 753 HG SER 104 HG SER 104 -10.800 -32.479 6.008 754 H SER 105 H SER 105 -6.754 -32.495 9.176 755 HA SER 105 HA SER 105 -7.357 -35.353 9.482 756 HB2 SER 105 1HB SER 105 -4.705 -34.014 9.711 757 HB3 SER 105 2HB SER 105 -5.081 -35.280 10.879 758 HG SER 105 HG SER 105 -4.073 -36.122 9.010 759 H GLY 106 H GLY 106 -7.480 -36.064 11.716 760 HA2 GLY 106 1HA GLY 106 -7.269 -34.475 13.971 761 HA3 GLY 106 2HA GLY 106 -8.886 -34.195 13.341 Start of MODEL 8 1 H1 GLY 1 H GLY 1 12.283 27.239 -3.387 2 HA2 GLY 1 1HA GLY 1 11.793 29.913 -3.852 3 HA3 GLY 1 2HA GLY 1 11.999 29.197 -5.444 4 H SER 2 H SER 2 9.619 30.410 -4.325 5 HA SER 2 HA SER 2 7.369 30.054 -4.464 6 HB2 SER 2 1HB SER 2 8.176 28.373 -6.294 7 HB3 SER 2 2HB SER 2 7.793 27.147 -5.086 8 HG SER 2 HG SER 2 6.050 27.718 -6.566 9 H SER 3 H SER 3 8.658 29.915 -2.011 10 HA SER 3 HA SER 3 8.299 27.753 -0.384 11 HB2 SER 3 1HB SER 3 9.337 29.790 0.429 12 HB3 SER 3 2HB SER 3 7.812 30.665 0.287 13 HG SER 3 HG SER 3 8.580 29.627 2.426 14 H GLY 4 H GLY 4 6.649 26.788 0.720 15 HA2 GLY 4 1HA GLY 4 4.357 27.068 1.653 16 HA3 GLY 4 2HA GLY 4 3.930 27.769 0.099 17 H SER 5 H SER 5 5.062 24.789 1.642 18 HA SER 5 HA SER 5 3.357 23.254 -0.145 19 HB2 SER 5 1HB SER 5 5.053 21.827 -0.991 20 HB3 SER 5 2HB SER 5 5.676 23.463 -1.202 21 HG SER 5 HG SER 5 6.624 21.417 0.341 22 H SER 6 H SER 6 2.220 21.967 1.128 23 HA SER 6 HA SER 6 3.532 20.810 3.501 24 HB2 SER 6 1HB SER 6 0.631 21.636 3.228 25 HB3 SER 6 2HB SER 6 1.359 20.888 4.649 26 HG SER 6 HG SER 6 2.591 23.182 3.685 27 H GLY 7 H GLY 7 2.403 18.791 4.285 28 HA2 GLY 7 1HA GLY 7 2.046 17.027 1.996 29 HA3 GLY 7 2HA GLY 7 2.253 16.534 3.671 30 HA PRO 8 HA PRO 8 -2.361 16.980 2.249 31 HB2 PRO 8 1HB PRO 8 -2.781 14.759 0.745 32 HB3 PRO 8 2HB PRO 8 -2.320 16.317 0.049 33 HG2 PRO 8 1HG PRO 8 -0.612 13.936 0.663 34 HG3 PRO 8 2HG PRO 8 -0.601 14.982 -0.769 35 HD2 PRO 8 1HD PRO 8 1.205 15.233 1.234 36 HD3 PRO 8 2HD PRO 8 0.635 16.620 0.282 37 H GLY 9 H GLY 9 -3.627 16.275 3.847 38 HA2 GLY 9 1HA GLY 9 -3.041 14.614 5.874 39 HA3 GLY 9 2HA GLY 9 -4.682 14.770 5.265 40 HA PRO 10 HA PRO 10 -2.781 10.428 4.606 41 HB2 PRO 10 1HB PRO 10 -3.852 9.144 6.745 42 HB3 PRO 10 2HB PRO 10 -2.263 9.916 6.785 43 HG2 PRO 10 1HG PRO 10 -4.891 10.939 7.788 44 HG3 PRO 10 2HG PRO 10 -3.294 11.019 8.554 45 HD2 PRO 10 1HD PRO 10 -4.388 13.121 7.244 46 HD3 PRO 10 2HD PRO 10 -2.638 12.829 7.286 47 H VAL 11 H VAL 11 -3.941 9.185 3.273 48 HA VAL 11 HA VAL 11 -6.521 9.645 2.492 49 HB VAL 11 HB VAL 11 -6.550 7.448 1.475 50 HG11 VAL 11 1HG1 VAL 11 -4.337 7.520 0.301 51 HG12 VAL 11 2HG1 VAL 11 -5.212 9.052 0.325 52 HG13 VAL 11 3HG1 VAL 11 -3.855 8.792 1.422 53 HG21 VAL 11 3HG2 VAL 11 -4.722 6.824 3.662 54 HG22 VAL 11 1HG2 VAL 11 -5.775 5.763 2.725 55 HG23 VAL 11 2HG2 VAL 11 -4.185 6.203 2.101 56 H GLU 12 H GLU 12 -8.444 8.200 2.703 57 HA GLU 12 HA GLU 12 -8.730 7.244 5.476 58 HB2 GLU 12 1HB GLU 12 -11.266 7.827 4.885 59 HB3 GLU 12 2HB GLU 12 -10.164 9.011 5.572 60 HG2 GLU 12 1HG GLU 12 -10.015 10.204 3.647 61 HG3 GLU 12 2HG GLU 12 -10.269 8.794 2.621 62 H ASN 13 H ASN 13 -10.827 5.818 5.615 63 HA ASN 13 HA ASN 13 -11.531 3.670 5.230 64 HB2 ASN 13 1HB ASN 13 -11.919 4.968 2.526 65 HB3 ASN 13 2HB ASN 13 -12.604 3.408 2.972 66 HD21 ASN 13 1HD2 ASN 13 -13.162 6.661 2.822 67 HD22 ASN 13 2HD2 ASN 13 -14.502 6.765 3.908 68 H LEU 14 H LEU 14 -8.741 3.840 5.104 69 HA LEU 14 HA LEU 14 -7.886 2.351 2.762 70 HB2 LEU 14 1HB LEU 14 -6.382 4.031 3.510 71 HB3 LEU 14 2HB LEU 14 -6.437 3.431 5.167 72 HG LEU 14 HG LEU 14 -5.414 1.268 4.006 73 HD11 LEU 14 1HD1 LEU 14 -3.711 2.095 2.327 74 HD12 LEU 14 2HD1 LEU 14 -4.696 3.550 2.188 75 HD13 LEU 14 3HD1 LEU 14 -5.378 1.981 1.761 76 HD21 LEU 14 3HD2 LEU 14 -3.302 3.228 4.324 77 HD22 LEU 14 1HD2 LEU 14 -3.668 1.794 5.284 78 HD23 LEU 14 2HD2 LEU 14 -4.491 3.316 5.624 79 H GLN 15 H GLN 15 -8.036 0.218 2.674 80 HA GLN 15 HA GLN 15 -7.385 -1.382 5.015 81 HB2 GLN 15 1HB GLN 15 -10.076 -1.316 3.704 82 HB3 GLN 15 2HB GLN 15 -9.485 -2.821 4.395 83 HG2 GLN 15 1HG GLN 15 -9.410 -0.351 6.050 84 HG3 GLN 15 2HG GLN 15 -10.950 -1.170 5.798 85 HE21 GLN 15 1HE2 GLN 15 -8.997 -0.810 8.122 86 HE22 GLN 15 2HE2 GLN 15 -8.840 -2.405 8.768 87 H ALA 16 H ALA 16 -6.523 -3.363 4.527 88 HA ALA 16 HA ALA 16 -6.502 -4.189 1.708 89 HB1 ALA 16 3HB ALA 16 -3.966 -4.625 3.115 90 HB2 ALA 16 1HB ALA 16 -4.274 -4.082 1.465 91 HB3 ALA 16 2HB ALA 16 -4.357 -2.934 2.802 92 H VAL 17 H VAL 17 -6.717 -6.333 1.389 93 HA VAL 17 HA VAL 17 -6.098 -8.227 3.495 94 HB VAL 17 HB VAL 17 -8.469 -9.258 3.124 95 HG11 VAL 17 1HG1 VAL 17 -9.229 -8.241 5.127 96 HG12 VAL 17 2HG1 VAL 17 -7.469 -8.316 5.239 97 HG13 VAL 17 3HG1 VAL 17 -8.265 -6.793 4.839 98 HG21 VAL 17 3HG2 VAL 17 -10.210 -7.511 2.867 99 HG22 VAL 17 1HG2 VAL 17 -8.942 -6.354 2.463 100 HG23 VAL 17 2HG2 VAL 17 -9.236 -7.741 1.415 101 H SER 18 H SER 18 -5.711 -10.276 2.741 102 HA SER 18 HA SER 18 -5.524 -10.534 -0.153 103 HB2 SER 18 1HB SER 18 -3.572 -11.127 1.235 104 HB3 SER 18 2HB SER 18 -4.527 -12.373 2.037 105 HG SER 18 HG SER 18 -3.444 -12.327 -0.529 106 H THR 19 H THR 19 -6.714 -11.882 -1.378 107 HA THR 19 HA THR 19 -8.756 -13.498 0.002 108 HB THR 19 HB THR 19 -10.288 -13.076 -1.689 109 HG1 THR 19 1HG THR 19 -8.545 -11.861 -3.492 110 HG21 THR 19 3HG2 THR 19 -8.558 -10.649 -1.308 111 HG22 THR 19 1HG2 THR 19 -10.115 -11.022 -0.569 112 HG23 THR 19 2HG2 THR 19 -10.031 -10.589 -2.276 113 H SER 20 H SER 20 -5.898 -13.807 -1.546 114 HA SER 20 HA SER 20 -6.505 -16.557 -2.330 115 HB2 SER 20 1HB SER 20 -5.813 -14.403 -4.171 116 HB3 SER 20 2HB SER 20 -4.697 -15.763 -4.280 117 HG SER 20 HG SER 20 -6.347 -16.262 -5.630 118 HA PRO 21 HA PRO 21 -2.681 -17.999 -0.746 119 HB2 PRO 21 1HB PRO 21 -1.592 -18.311 -3.506 120 HB3 PRO 21 2HB PRO 21 -1.657 -19.481 -2.183 121 HG2 PRO 21 1HG PRO 21 -3.364 -19.609 -4.246 122 HG3 PRO 21 2HG PRO 21 -3.863 -20.029 -2.597 123 HD2 PRO 21 1HD PRO 21 -4.509 -17.647 -4.221 124 HD3 PRO 21 2HD PRO 21 -5.445 -18.439 -2.936 125 H THR 22 H THR 22 -2.064 -16.014 -3.645 126 HA THR 22 HA THR 22 -0.173 -14.419 -2.061 127 HB THR 22 HB THR 22 1.433 -14.332 -3.851 128 HG1 THR 22 1HG THR 22 0.110 -14.479 -5.660 129 HG21 THR 22 3HG2 THR 22 1.789 -16.182 -2.390 130 HG22 THR 22 1HG2 THR 22 2.053 -16.766 -4.032 131 HG23 THR 22 2HG2 THR 22 0.545 -17.138 -3.195 132 H SER 23 H SER 23 -1.682 -12.754 -1.901 133 HA SER 23 HA SER 23 -1.725 -10.927 -4.085 134 HB2 SER 23 1HB SER 23 -4.016 -10.929 -4.670 135 HB3 SER 23 2HB SER 23 -3.558 -12.631 -4.657 136 HG SER 23 HG SER 23 -4.318 -12.381 -2.298 137 H ILE 24 H ILE 24 -3.324 -9.046 -3.522 138 HA ILE 24 HA ILE 24 -3.913 -8.672 -0.743 139 HB ILE 24 HB ILE 24 -1.628 -7.107 -1.946 140 HG12 ILE 24 1HG1 ILE 24 -1.830 -9.114 0.296 141 HG13 ILE 24 2HG1 ILE 24 -0.804 -9.181 -1.132 142 HG21 ILE 24 1HG2 ILE 24 -3.240 -6.682 0.550 143 HG22 ILE 24 2HG2 ILE 24 -1.598 -6.063 0.383 144 HG23 ILE 24 3HG2 ILE 24 -2.858 -5.528 -0.728 145 HD11 ILE 24 3HD1 ILE 24 0.634 -8.640 0.619 146 HD12 ILE 24 1HD1 ILE 24 0.336 -7.105 -0.196 147 HD13 ILE 24 2HD1 ILE 24 -0.499 -7.479 1.311 148 H LEU 25 H LEU 25 -5.899 -7.883 -1.103 149 HA LEU 25 HA LEU 25 -6.383 -5.963 -3.221 150 HB2 LEU 25 1HB LEU 25 -7.948 -7.843 -2.631 151 HB3 LEU 25 2HB LEU 25 -8.321 -6.967 -1.148 152 HG LEU 25 HG LEU 25 -9.145 -5.078 -2.551 153 HD11 LEU 25 1HD1 LEU 25 -9.439 -6.799 -4.909 154 HD12 LEU 25 2HD1 LEU 25 -7.793 -6.257 -4.583 155 HD13 LEU 25 3HD1 LEU 25 -9.085 -5.075 -4.794 156 HD21 LEU 25 3HD2 LEU 25 -10.922 -6.266 -1.771 157 HD22 LEU 25 1HD2 LEU 25 -10.362 -7.783 -2.476 158 HD23 LEU 25 2HD2 LEU 25 -11.127 -6.565 -3.498 159 H ILE 26 H ILE 26 -5.587 -3.989 -2.750 160 HA ILE 26 HA ILE 26 -6.082 -2.849 -0.098 161 HB ILE 26 HB ILE 26 -4.478 -1.566 -2.297 162 HG12 ILE 26 1HG1 ILE 26 -3.169 -3.128 -0.110 163 HG13 ILE 26 2HG1 ILE 26 -3.799 -3.996 -1.505 164 HG21 ILE 26 1HG2 ILE 26 -3.331 -0.854 0.042 165 HG22 ILE 26 2HG2 ILE 26 -4.603 0.070 -0.756 166 HG23 ILE 26 3HG2 ILE 26 -5.009 -1.045 0.549 167 HD11 ILE 26 3HD1 ILE 26 -2.065 -3.406 -2.747 168 HD12 ILE 26 1HD1 ILE 26 -2.238 -1.707 -2.307 169 HD13 ILE 26 2HD1 ILE 26 -1.318 -2.798 -1.270 170 H THR 27 H THR 27 -7.889 -1.729 0.152 171 HA THR 27 HA THR 27 -8.923 -0.185 -2.136 172 HB THR 27 HB THR 27 -11.146 -0.327 -1.076 173 HG1 THR 27 1HG THR 27 -9.858 -2.090 0.760 174 HG21 THR 27 3HG2 THR 27 -10.283 -2.053 -2.721 175 HG22 THR 27 1HG2 THR 27 -11.626 -2.563 -1.700 176 HG23 THR 27 2HG2 THR 27 -9.986 -3.095 -1.331 177 H TRP 28 H TRP 28 -7.982 1.782 -1.807 178 HA TRP 28 HA TRP 28 -8.403 3.058 0.812 179 HB2 TRP 28 1HB TRP 28 -6.562 4.539 0.269 180 HB3 TRP 28 2HB TRP 28 -6.045 2.869 0.053 181 HD1 TRP 28 HD TRP 28 -6.209 6.128 -1.730 182 HE1 TRP 28 1HE TRP 28 -5.477 5.838 -4.180 183 HE3 TRP 28 3HE TRP 28 -6.251 1.022 -1.990 184 HZ2 TRP 28 2HZ TRP 28 -4.983 3.724 -5.985 185 HZ3 TRP 28 3HZ TRP 28 -5.636 -0.055 -4.115 186 HH2 TRP 28 HH TRP 28 -5.017 1.270 -6.070 187 H GLU 29 H GLU 29 -8.644 5.514 0.634 188 HA GLU 29 HA GLU 29 -10.205 6.296 -1.719 189 HB2 GLU 29 1HB GLU 29 -11.163 6.138 1.096 190 HB3 GLU 29 2HB GLU 29 -11.706 7.498 0.123 191 HG2 GLU 29 1HG GLU 29 -12.517 5.886 -1.579 192 HG3 GLU 29 2HG GLU 29 -12.092 4.576 -0.478 193 HA PRO 30 HA PRO 30 -8.172 10.170 -1.417 194 HB2 PRO 30 1HB PRO 30 -10.124 11.923 -2.115 195 HB3 PRO 30 2HB PRO 30 -9.352 10.832 -3.273 196 HG2 PRO 30 1HG PRO 30 -11.979 10.550 -1.865 197 HG3 PRO 30 2HG PRO 30 -11.578 10.221 -3.561 198 HD2 PRO 30 1HD PRO 30 -11.786 8.259 -1.706 199 HD3 PRO 30 2HD PRO 30 -10.660 8.163 -3.076 200 HA PRO 31 HA PRO 31 -8.983 11.644 2.695 201 HB2 PRO 31 1HB PRO 31 -7.101 13.599 2.715 202 HB3 PRO 31 2HB PRO 31 -6.706 11.885 2.884 203 HG2 PRO 31 1HG PRO 31 -6.558 13.633 0.458 204 HG3 PRO 31 2HG PRO 31 -5.399 12.421 1.037 205 HD2 PRO 31 1HD PRO 31 -7.155 11.919 -0.963 206 HD3 PRO 31 2HD PRO 31 -6.611 10.664 0.168 207 H ALA 32 H ALA 32 -10.835 12.740 2.970 208 HA ALA 32 HA ALA 32 -11.678 14.913 1.369 209 HB1 ALA 32 3HB ALA 32 -12.948 14.911 3.951 210 HB2 ALA 32 1HB ALA 32 -13.622 14.523 2.368 211 HB3 ALA 32 2HB ALA 32 -12.822 13.270 3.318 212 H TYR 33 H TYR 33 -9.935 14.703 4.405 213 HA TYR 33 HA TYR 33 -9.948 17.624 4.652 214 HB2 TYR 33 1HB TYR 33 -8.853 17.117 6.892 215 HB3 TYR 33 2HB TYR 33 -10.523 16.594 6.708 216 HD1 TYR 33 2HD TYR 33 -7.044 15.498 7.023 217 HD2 TYR 33 1HD TYR 33 -11.084 14.234 6.587 218 HE1 TYR 33 2HE TYR 33 -6.390 13.211 7.649 219 HE2 TYR 33 1HE TYR 33 -10.440 11.944 7.214 220 HH TYR 33 HH TYR 33 -8.740 10.559 7.639 221 H ALA 34 H ALA 34 -8.483 16.692 2.522 222 HA ALA 34 HA ALA 34 -5.685 16.719 3.398 223 HB1 ALA 34 3HB ALA 34 -5.365 16.283 0.842 224 HB2 ALA 34 1HB ALA 34 -5.893 14.980 1.907 225 HB3 ALA 34 2HB ALA 34 -7.069 15.834 0.907 226 H ASN 35 H ASN 35 -4.158 18.015 2.043 227 HA ASN 35 HA ASN 35 -5.284 20.687 1.636 228 HB2 ASN 35 1HB ASN 35 -2.698 21.198 1.479 229 HB3 ASN 35 2HB ASN 35 -3.475 20.957 3.041 230 HD21 ASN 35 1HD2 ASN 35 -1.461 19.498 0.590 231 HD22 ASN 35 2HD2 ASN 35 -0.787 18.269 1.600 232 H GLY 36 H GLY 36 -6.073 20.798 -0.404 233 HA2 GLY 36 1HA GLY 36 -5.830 21.270 -2.669 234 HA3 GLY 36 2HA GLY 36 -4.148 20.772 -2.565 235 HA PRO 37 HA PRO 37 -6.559 17.537 -4.889 236 HB2 PRO 37 1HB PRO 37 -4.856 17.427 -7.001 237 HB3 PRO 37 2HB PRO 37 -6.202 18.570 -6.910 238 HG2 PRO 37 1HG PRO 37 -3.300 19.010 -6.322 239 HG3 PRO 37 2HG PRO 37 -4.433 20.050 -7.206 240 HD2 PRO 37 1HD PRO 37 -3.746 20.507 -4.627 241 HD3 PRO 37 2HD PRO 37 -5.350 20.908 -5.273 242 H VAL 38 H VAL 38 -5.377 15.548 -6.061 243 HA VAL 38 HA VAL 38 -3.087 14.709 -4.420 244 HB VAL 38 HB VAL 38 -5.536 13.021 -4.954 245 HG11 VAL 38 1HG1 VAL 38 -3.390 12.165 -3.095 246 HG12 VAL 38 2HG1 VAL 38 -4.456 11.201 -4.119 247 HG13 VAL 38 3HG1 VAL 38 -3.071 12.035 -4.825 248 HG21 VAL 38 3HG2 VAL 38 -6.351 13.823 -3.050 249 HG22 VAL 38 1HG2 VAL 38 -4.916 13.255 -2.196 250 HG23 VAL 38 2HG2 VAL 38 -4.949 14.879 -2.883 251 H GLN 39 H GLN 39 -1.643 14.853 -6.103 252 HA GLN 39 HA GLN 39 -1.912 14.230 -8.735 253 HB2 GLN 39 1HB GLN 39 0.455 13.696 -6.938 254 HB3 GLN 39 2HB GLN 39 0.518 13.590 -8.692 255 HG2 GLN 39 1HG GLN 39 -0.288 15.993 -8.720 256 HG3 GLN 39 2HG GLN 39 0.062 16.019 -6.992 257 HE21 GLN 39 1HE2 GLN 39 1.251 16.969 -9.804 258 HE22 GLN 39 2HE2 GLN 39 2.948 16.847 -9.506 259 H GLY 40 H GLY 40 -1.407 11.962 -6.076 260 HA2 GLY 40 1HA GLY 40 -2.746 9.839 -7.273 261 HA3 GLY 40 2HA GLY 40 -1.048 9.656 -7.686 262 H TYR 41 H TYR 41 -0.847 7.746 -6.501 263 HA TYR 41 HA TYR 41 -0.533 8.175 -3.629 264 HB2 TYR 41 1HB TYR 41 -2.020 5.777 -4.713 265 HB3 TYR 41 2HB TYR 41 -1.755 6.190 -3.022 266 HD1 TYR 41 2HD TYR 41 -3.040 7.971 -1.960 267 HD2 TYR 41 1HD TYR 41 -3.718 6.903 -6.022 268 HE1 TYR 41 2HE TYR 41 -5.167 9.205 -1.923 269 HE2 TYR 41 1HE TYR 41 -5.846 8.135 -5.997 270 HH TYR 41 HH TYR 41 -6.677 10.320 -3.598 271 H ARG 42 H ARG 42 1.064 6.945 -2.686 272 HA ARG 42 HA ARG 42 2.635 5.266 -4.530 273 HB2 ARG 42 1HB ARG 42 3.425 7.317 -2.531 274 HB3 ARG 42 2HB ARG 42 4.463 5.906 -2.681 275 HG2 ARG 42 1HG ARG 42 4.939 6.372 -4.943 276 HG3 ARG 42 2HG ARG 42 3.643 7.566 -5.044 277 HD2 ARG 42 1HD ARG 42 4.869 8.946 -3.377 278 HD3 ARG 42 2HD ARG 42 6.195 7.786 -3.455 279 HE ARG 42 HE ARG 42 5.402 8.912 -5.996 280 HH11 ARG 42 1HH1 ARG 42 7.490 9.175 -3.223 281 HH12 ARG 42 2HH1 ARG 42 8.679 10.130 -4.045 282 HH21 ARG 42 1HH2 ARG 42 6.961 10.168 -7.090 283 HH22 ARG 42 2HH2 ARG 42 8.376 10.695 -6.244 284 H LEU 43 H LEU 43 2.847 3.193 -4.007 285 HA LEU 43 HA LEU 43 2.195 2.377 -1.254 286 HB2 LEU 43 1HB LEU 43 0.596 1.428 -2.681 287 HB3 LEU 43 2HB LEU 43 1.801 1.027 -3.903 288 HG LEU 43 HG LEU 43 2.720 -0.595 -2.089 289 HD11 LEU 43 1HD1 LEU 43 1.057 -1.452 -0.566 290 HD12 LEU 43 2HD1 LEU 43 -0.136 -0.303 -1.171 291 HD13 LEU 43 3HD1 LEU 43 1.276 0.276 -0.288 292 HD21 LEU 43 3HD2 LEU 43 0.378 -1.949 -2.861 293 HD22 LEU 43 1HD2 LEU 43 1.963 -1.996 -3.633 294 HD23 LEU 43 2HD2 LEU 43 0.759 -0.820 -4.162 295 H PHE 44 H PHE 44 3.687 1.346 -0.080 296 HA PHE 44 HA PHE 44 6.122 0.417 -1.455 297 HB2 PHE 44 1HB PHE 44 5.998 1.465 1.375 298 HB3 PHE 44 2HB PHE 44 7.438 1.108 0.426 299 HD1 PHE 44 2HD PHE 44 7.472 2.439 -1.915 300 HD2 PHE 44 1HD PHE 44 5.461 3.671 1.628 301 HE1 PHE 44 2HE PHE 44 7.538 4.772 -2.693 302 HE2 PHE 44 1HE PHE 44 5.524 6.006 0.856 303 HZ PHE 44 HZ PHE 44 6.564 6.559 -1.307 304 H CYS 45 H CYS 45 6.273 -1.718 -1.419 305 HA CYS 45 HA CYS 45 5.095 -3.187 0.838 306 HB2 CYS 45 1HB CYS 45 4.146 -3.850 -1.276 307 HB3 CYS 45 2HB CYS 45 5.744 -4.063 -1.980 308 HG CYS 45 HG CYS 45 5.926 -6.032 0.465 309 H THR 46 H THR 46 6.391 -4.148 2.251 310 HA THR 46 HA THR 46 9.156 -4.761 1.439 311 HB THR 46 HB THR 46 8.296 -3.705 4.140 312 HG1 THR 46 1HG THR 46 9.605 -1.884 3.448 313 HG21 THR 46 3HG2 THR 46 10.254 -5.357 3.996 314 HG22 THR 46 1HG2 THR 46 10.543 -3.820 4.809 315 HG23 THR 46 2HG2 THR 46 11.114 -4.066 3.158 316 H GLU 47 H GLU 47 9.818 -6.780 1.838 317 HA GLU 47 HA GLU 47 7.974 -8.631 3.079 318 HB2 GLU 47 1HB GLU 47 9.266 -9.151 0.988 319 HB3 GLU 47 2HB GLU 47 10.725 -9.193 1.968 320 HG2 GLU 47 1HG GLU 47 9.819 -11.035 3.270 321 HG3 GLU 47 2HG GLU 47 8.331 -10.982 2.325 322 H VAL 48 H VAL 48 7.968 -9.023 5.181 323 HA VAL 48 HA VAL 48 10.016 -8.127 6.934 324 HB VAL 48 HB VAL 48 7.759 -10.055 7.501 325 HG11 VAL 48 1HG1 VAL 48 9.362 -8.362 9.414 326 HG12 VAL 48 2HG1 VAL 48 8.085 -9.509 9.825 327 HG13 VAL 48 3HG1 VAL 48 9.609 -10.088 9.151 328 HG21 VAL 48 3HG2 VAL 48 7.104 -7.794 6.605 329 HG22 VAL 48 1HG2 VAL 48 6.467 -8.188 8.201 330 HG23 VAL 48 2HG2 VAL 48 7.841 -7.094 8.047 331 H SER 49 H SER 49 9.438 -11.087 5.241 332 HA SER 49 HA SER 49 10.880 -12.870 6.864 333 HB2 SER 49 1HB SER 49 9.350 -13.412 4.883 334 HB3 SER 49 2HB SER 49 10.739 -13.057 3.856 335 HG SER 49 HG SER 49 10.448 -15.101 5.785 336 H THR 50 H THR 50 11.917 -11.084 3.960 337 HA THR 50 HA THR 50 14.706 -11.682 4.622 338 HB THR 50 HB THR 50 15.205 -10.706 2.373 339 HG1 THR 50 1HG THR 50 13.549 -9.436 1.805 340 HG21 THR 50 3HG2 THR 50 14.554 -13.190 2.936 341 HG22 THR 50 1HG2 THR 50 14.750 -12.671 1.262 342 HG23 THR 50 2HG2 THR 50 13.136 -12.816 1.958 343 H GLY 51 H GLY 51 12.691 -8.881 3.709 344 HA2 GLY 51 1HA GLY 51 12.851 -6.910 5.190 345 HA3 GLY 51 2HA GLY 51 14.587 -7.186 5.217 346 H LYS 52 H LYS 52 12.972 -7.686 2.225 347 HA LYS 52 HA LYS 52 14.340 -5.364 1.112 348 HB2 LYS 52 1HB LYS 52 12.910 -7.683 -0.196 349 HB3 LYS 52 2HB LYS 52 13.660 -6.363 -1.083 350 HG2 LYS 52 1HG LYS 52 15.781 -7.041 0.287 351 HG3 LYS 52 2HG LYS 52 14.926 -8.577 0.454 352 HD2 LYS 52 1HD LYS 52 15.225 -7.293 -2.235 353 HD3 LYS 52 2HD LYS 52 16.549 -8.234 -1.542 354 HE2 LYS 52 1HE LYS 52 15.271 -9.703 -2.914 355 HE3 LYS 52 2HE LYS 52 14.929 -10.119 -1.235 356 HZ1 LYS 52 3HZ LYS 52 13.183 -8.247 -2.699 357 HZ2 LYS 52 1HZ LYS 52 12.824 -9.204 -1.350 358 HZ3 LYS 52 2HZ LYS 52 12.985 -9.918 -2.875 359 H GLU 53 H GLU 53 13.346 -3.598 0.300 360 HA GLU 53 HA GLU 53 10.411 -3.510 0.513 361 HB2 GLU 53 1HB GLU 53 11.364 -1.956 2.047 362 HB3 GLU 53 2HB GLU 53 12.494 -1.356 0.841 363 HG2 GLU 53 1HG GLU 53 10.837 -0.175 -0.299 364 HG3 GLU 53 2HG GLU 53 9.536 -1.074 0.479 365 H GLN 54 H GLN 54 9.198 -2.581 -1.133 366 HA GLN 54 HA GLN 54 10.625 -1.842 -3.588 367 HB2 GLN 54 1HB GLN 54 9.243 -3.218 -4.960 368 HB3 GLN 54 2HB GLN 54 9.876 -4.241 -3.678 369 HG2 GLN 54 1HG GLN 54 7.790 -4.176 -2.508 370 HG3 GLN 54 2HG GLN 54 7.146 -2.982 -3.634 371 HE21 GLN 54 1HE2 GLN 54 6.190 -5.667 -2.907 372 HE22 GLN 54 2HE2 GLN 54 6.071 -6.536 -4.396 373 H ASN 55 H ASN 55 9.810 -0.106 -4.605 374 HA ASN 55 HA ASN 55 7.415 1.122 -3.456 375 HB2 ASN 55 1HB ASN 55 9.442 2.321 -5.357 376 HB3 ASN 55 2HB ASN 55 8.174 3.186 -4.493 377 HD21 ASN 55 1HD2 ASN 55 10.926 3.785 -4.386 378 HD22 ASN 55 2HD2 ASN 55 11.461 3.538 -2.762 379 H ILE 56 H ILE 56 5.571 1.433 -4.571 380 HA ILE 56 HA ILE 56 5.565 0.845 -7.452 381 HB ILE 56 HB ILE 56 3.539 -0.185 -5.462 382 HG12 ILE 56 1HG1 ILE 56 5.234 -1.872 -7.278 383 HG13 ILE 56 2HG1 ILE 56 5.878 -1.308 -5.740 384 HG21 ILE 56 1HG2 ILE 56 2.451 0.440 -7.521 385 HG22 ILE 56 2HG2 ILE 56 3.659 -0.432 -8.464 386 HG23 ILE 56 3HG2 ILE 56 2.545 -1.319 -7.423 387 HD11 ILE 56 3HD1 ILE 56 4.025 -2.400 -4.576 388 HD12 ILE 56 1HD1 ILE 56 3.410 -2.985 -6.122 389 HD13 ILE 56 2HD1 ILE 56 4.976 -3.540 -5.529 390 H GLU 57 H GLU 57 4.065 1.972 -8.681 391 HA GLU 57 HA GLU 57 2.615 4.109 -7.260 392 HB2 GLU 57 1HB GLU 57 4.351 4.180 -9.670 393 HB3 GLU 57 2HB GLU 57 2.919 5.199 -9.690 394 HG2 GLU 57 1HG GLU 57 3.806 5.917 -7.320 395 HG3 GLU 57 2HG GLU 57 5.343 5.363 -7.983 396 H VAL 58 H VAL 58 0.576 3.333 -7.209 397 HA VAL 58 HA VAL 58 -0.588 2.289 -9.698 398 HB VAL 58 HB VAL 58 -2.369 1.356 -8.338 399 HG11 VAL 58 1HG1 VAL 58 -0.465 -0.057 -8.610 400 HG12 VAL 58 2HG1 VAL 58 0.404 0.770 -7.316 401 HG13 VAL 58 3HG1 VAL 58 -1.011 -0.213 -6.941 402 HG21 VAL 58 3HG2 VAL 58 -1.617 3.328 -6.496 403 HG22 VAL 58 1HG2 VAL 58 -2.893 2.123 -6.319 404 HG23 VAL 58 2HG2 VAL 58 -1.271 1.785 -5.715 405 H ASP 59 H ASP 59 -2.939 2.846 -10.026 406 HA ASP 59 HA ASP 59 -3.608 5.546 -9.102 407 HB2 ASP 59 1HB ASP 59 -4.377 6.048 -11.482 408 HB3 ASP 59 2HB ASP 59 -2.638 6.032 -11.205 409 H GLY 60 H GLY 60 -5.729 5.851 -8.671 410 HA2 GLY 60 1HA GLY 60 -8.053 5.274 -9.466 411 HA3 GLY 60 2HA GLY 60 -7.535 3.601 -9.311 412 H LEU 61 H LEU 61 -8.810 2.856 -7.712 413 HA LEU 61 HA LEU 61 -8.605 4.216 -5.110 414 HB2 LEU 61 1HB LEU 61 -11.010 3.162 -6.529 415 HB3 LEU 61 2HB LEU 61 -10.962 3.134 -4.767 416 HG LEU 61 HG LEU 61 -10.463 5.681 -6.266 417 HD11 LEU 61 1HD1 LEU 61 -13.072 4.309 -5.783 418 HD12 LEU 61 2HD1 LEU 61 -12.514 5.192 -7.203 419 HD13 LEU 61 3HD1 LEU 61 -12.976 6.070 -5.745 420 HD21 LEU 61 3HD2 LEU 61 -10.923 4.832 -3.498 421 HD22 LEU 61 1HD2 LEU 61 -11.850 6.248 -3.996 422 HD23 LEU 61 2HD2 LEU 61 -10.091 6.254 -4.129 423 H SER 62 H SER 62 -8.690 1.259 -6.924 424 HA SER 62 HA SER 62 -7.834 -0.193 -4.518 425 HB2 SER 62 1HB SER 62 -9.228 -2.071 -5.005 426 HB3 SER 62 2HB SER 62 -10.267 -0.648 -5.076 427 HG SER 62 HG SER 62 -10.767 -1.549 -6.937 428 H TYR 63 H TYR 63 -6.459 -1.981 -4.904 429 HA TYR 63 HA TYR 63 -5.527 -2.441 -7.620 430 HB2 TYR 63 1HB TYR 63 -4.127 -0.581 -6.888 431 HB3 TYR 63 2HB TYR 63 -3.691 -1.458 -5.425 432 HD1 TYR 63 2HD TYR 63 -2.333 -3.574 -5.641 433 HD2 TYR 63 1HD TYR 63 -2.942 -0.909 -8.901 434 HE1 TYR 63 2HE TYR 63 -0.411 -4.571 -6.807 435 HE2 TYR 63 1HE TYR 63 -1.022 -1.899 -10.077 436 HH TYR 63 HH TYR 63 1.266 -3.737 -8.638 437 H LYS 64 H LYS 64 -5.319 -4.552 -7.890 438 HA LYS 64 HA LYS 64 -5.140 -6.292 -5.562 439 HB2 LYS 64 1HB LYS 64 -6.714 -6.576 -7.627 440 HB3 LYS 64 2HB LYS 64 -5.292 -7.270 -8.393 441 HG2 LYS 64 1HG LYS 64 -5.173 -8.800 -6.339 442 HG3 LYS 64 2HG LYS 64 -6.830 -8.276 -6.029 443 HD2 LYS 64 1HD LYS 64 -7.382 -8.989 -8.378 444 HD3 LYS 64 2HD LYS 64 -5.774 -9.711 -8.460 445 HE2 LYS 64 1HE LYS 64 -7.840 -10.393 -6.373 446 HE3 LYS 64 2HE LYS 64 -7.592 -11.310 -7.858 447 HZ1 LYS 64 3HZ LYS 64 -6.309 -12.455 -6.353 448 HZ2 LYS 64 1HZ LYS 64 -5.831 -11.066 -5.515 449 HZ3 LYS 64 2HZ LYS 64 -5.159 -11.414 -7.027 450 H LEU 65 H LEU 65 -3.170 -6.723 -4.815 451 HA LEU 65 HA LEU 65 -0.841 -6.611 -6.502 452 HB2 LEU 65 1HB LEU 65 -1.176 -6.076 -3.928 453 HB3 LEU 65 2HB LEU 65 -0.740 -7.777 -3.770 454 HG LEU 65 HG LEU 65 1.285 -6.998 -5.310 455 HD11 LEU 65 1HD1 LEU 65 1.201 -4.786 -5.646 456 HD12 LEU 65 2HD1 LEU 65 1.820 -4.677 -3.998 457 HD13 LEU 65 3HD1 LEU 65 0.090 -4.522 -4.302 458 HD21 LEU 65 3HD2 LEU 65 0.851 -7.136 -2.402 459 HD22 LEU 65 1HD2 LEU 65 2.306 -6.282 -2.916 460 HD23 LEU 65 2HD2 LEU 65 2.042 -7.952 -3.416 461 H GLU 66 H GLU 66 0.534 -8.312 -7.045 462 HA GLU 66 HA GLU 66 -0.314 -11.034 -6.435 463 HB2 GLU 66 1HB GLU 66 0.169 -10.199 -9.293 464 HB3 GLU 66 2HB GLU 66 -0.431 -11.746 -8.710 465 HG2 GLU 66 1HG GLU 66 -2.444 -10.506 -7.843 466 HG3 GLU 66 2HG GLU 66 -1.861 -9.106 -8.741 467 H GLY 67 H GLY 67 1.306 -12.653 -7.097 468 HA2 GLY 67 1HA GLY 67 3.487 -13.343 -7.571 469 HA3 GLY 67 2HA GLY 67 3.955 -11.658 -7.754 470 H LEU 68 H LEU 68 2.263 -12.945 -4.959 471 HA LEU 68 HA LEU 68 4.604 -12.254 -3.323 472 HB2 LEU 68 1HB LEU 68 1.731 -12.626 -2.488 473 HB3 LEU 68 2HB LEU 68 3.055 -12.095 -1.453 474 HG LEU 68 HG LEU 68 2.457 -10.464 -3.862 475 HD11 LEU 68 1HD1 LEU 68 0.239 -10.652 -3.216 476 HD12 LEU 68 2HD1 LEU 68 0.781 -9.215 -2.350 477 HD13 LEU 68 3HD1 LEU 68 0.640 -10.754 -1.502 478 HD21 LEU 68 3HD2 LEU 68 2.752 -8.805 -1.732 479 HD22 LEU 68 1HD2 LEU 68 4.074 -9.367 -2.757 480 HD23 LEU 68 2HD2 LEU 68 3.731 -10.186 -1.233 481 H LYS 69 H LYS 69 4.372 -13.596 -1.092 482 HA LYS 69 HA LYS 69 4.787 -16.358 -1.902 483 HB2 LYS 69 1HB LYS 69 5.361 -14.815 0.619 484 HB3 LYS 69 2HB LYS 69 5.506 -16.566 0.557 485 HG2 LYS 69 1HG LYS 69 7.044 -16.152 -1.465 486 HG3 LYS 69 2HG LYS 69 7.122 -14.492 -0.869 487 HD2 LYS 69 1HD LYS 69 7.846 -15.389 1.340 488 HD3 LYS 69 2HD LYS 69 7.909 -16.997 0.616 489 HE2 LYS 69 1HE LYS 69 9.427 -15.775 -1.153 490 HE3 LYS 69 2HE LYS 69 9.669 -14.634 0.168 491 HZ1 LYS 69 3HZ LYS 69 11.142 -16.022 1.029 492 HZ2 LYS 69 1HZ LYS 69 10.875 -17.137 -0.215 493 HZ3 LYS 69 2HZ LYS 69 9.952 -17.211 1.200 494 H LYS 70 H LYS 70 3.572 -18.076 -1.278 495 HA LYS 70 HA LYS 70 0.940 -18.064 -0.943 496 HB2 LYS 70 1HB LYS 70 2.714 -20.030 -0.818 497 HB3 LYS 70 2HB LYS 70 2.378 -19.915 0.904 498 HG2 LYS 70 1HG LYS 70 0.223 -20.650 0.676 499 HG3 LYS 70 2HG LYS 70 0.090 -20.083 -0.990 500 HD2 LYS 70 1HD LYS 70 2.070 -22.220 -0.443 501 HD3 LYS 70 2HD LYS 70 0.364 -22.664 -0.358 502 HE2 LYS 70 1HE LYS 70 0.713 -23.031 -2.576 503 HE3 LYS 70 2HE LYS 70 0.299 -21.319 -2.647 504 HZ1 LYS 70 3HZ LYS 70 3.008 -22.520 -2.716 505 HZ2 LYS 70 1HZ LYS 70 2.735 -20.863 -2.510 506 HZ3 LYS 70 2HZ LYS 70 2.242 -21.631 -3.934 507 H PHE 71 H PHE 71 2.888 -18.486 2.009 508 HA PHE 71 HA PHE 71 1.019 -16.689 3.401 509 HB2 PHE 71 1HB PHE 71 0.555 -19.091 3.912 510 HB3 PHE 71 2HB PHE 71 2.184 -19.224 4.564 511 HD1 PHE 71 1HD PHE 71 2.787 -17.511 6.439 512 HD2 PHE 71 2HD PHE 71 -1.184 -18.563 5.324 513 HE1 PHE 71 1HE PHE 71 1.972 -16.748 8.632 514 HE2 PHE 71 2HE PHE 71 -2.005 -17.801 7.514 515 HZ PHE 71 HZ PHE 71 -0.426 -16.891 9.172 516 H THR 72 H THR 72 2.299 -14.932 3.622 517 HA THR 72 HA THR 72 4.574 -15.167 5.410 518 HB THR 72 HB THR 72 4.874 -13.969 2.649 519 HG1 THR 72 1HG THR 72 5.078 -16.294 2.831 520 HG21 THR 72 3HG2 THR 72 7.134 -14.227 4.573 521 HG22 THR 72 1HG2 THR 72 6.014 -12.880 4.768 522 HG23 THR 72 2HG2 THR 72 6.901 -13.078 3.257 523 H GLU 73 H GLU 73 4.464 -13.581 6.853 524 HA GLU 73 HA GLU 73 2.532 -11.547 6.754 525 HB2 GLU 73 1HB GLU 73 3.711 -12.532 8.800 526 HB3 GLU 73 2HB GLU 73 5.031 -11.431 8.432 527 HG2 GLU 73 1HG GLU 73 3.840 -9.576 9.024 528 HG3 GLU 73 2HG GLU 73 2.286 -10.318 8.650 529 H TYR 74 H TYR 74 2.547 -10.012 5.237 530 HA TYR 74 HA TYR 74 5.096 -8.726 4.546 531 HB2 TYR 74 1HB TYR 74 2.486 -9.025 3.088 532 HB3 TYR 74 2HB TYR 74 3.626 -7.764 2.634 533 HD1 TYR 74 2HD TYR 74 6.067 -8.558 2.157 534 HD2 TYR 74 1HD TYR 74 2.681 -11.134 2.141 535 HE1 TYR 74 2HE TYR 74 7.309 -10.172 0.779 536 HE2 TYR 74 1HE TYR 74 3.914 -12.756 0.763 537 HH TYR 74 HH TYR 74 6.152 -12.341 -1.007 538 H SER 75 H SER 75 5.344 -6.506 4.630 539 HA SER 75 HA SER 75 3.226 -5.044 6.068 540 HB2 SER 75 1HB SER 75 5.004 -5.250 7.612 541 HB3 SER 75 2HB SER 75 6.223 -4.940 6.376 542 HG SER 75 HG SER 75 5.646 -3.156 7.876 543 H LEU 76 H LEU 76 2.281 -3.647 4.743 544 HA LEU 76 HA LEU 76 3.892 -2.349 2.656 545 HB2 LEU 76 1HB LEU 76 0.894 -2.356 2.823 546 HB3 LEU 76 2HB LEU 76 1.911 -2.014 1.425 547 HG LEU 76 HG LEU 76 1.763 -4.737 2.696 548 HD11 LEU 76 1HD1 LEU 76 0.229 -3.902 0.256 549 HD12 LEU 76 2HD1 LEU 76 -0.473 -3.834 1.872 550 HD13 LEU 76 3HD1 LEU 76 0.070 -5.376 1.211 551 HD21 LEU 76 3HD2 LEU 76 3.162 -3.526 0.435 552 HD22 LEU 76 1HD2 LEU 76 2.298 -5.009 0.028 553 HD23 LEU 76 2HD2 LEU 76 3.502 -5.016 1.317 554 H ARG 77 H ARG 77 3.180 -0.076 2.113 555 HA ARG 77 HA ARG 77 2.196 1.434 4.409 556 HB2 ARG 77 1HB ARG 77 4.548 1.491 4.820 557 HB3 ARG 77 2HB ARG 77 4.899 1.830 3.131 558 HG2 ARG 77 1HG ARG 77 4.255 4.042 3.303 559 HG3 ARG 77 2HG ARG 77 3.264 3.747 4.733 560 HD2 ARG 77 1HD ARG 77 5.037 3.858 6.153 561 HD3 ARG 77 2HD ARG 77 6.165 3.204 4.967 562 HE ARG 77 HE ARG 77 5.659 5.605 3.930 563 HH11 ARG 77 1HH1 ARG 77 6.408 4.644 7.192 564 HH12 ARG 77 2HH1 ARG 77 7.188 6.139 7.592 565 HH21 ARG 77 1HH2 ARG 77 6.684 7.577 4.445 566 HH22 ARG 77 2HH2 ARG 77 7.343 7.807 6.029 567 H PHE 78 H PHE 78 0.664 2.743 3.691 568 HA PHE 78 HA PHE 78 0.867 3.774 0.938 569 HB2 PHE 78 1HB PHE 78 -1.102 2.200 1.778 570 HB3 PHE 78 2HB PHE 78 -1.747 3.725 2.376 571 HD1 PHE 78 1HD PHE 78 -0.302 2.236 -0.720 572 HD2 PHE 78 2HD PHE 78 -3.066 4.990 0.981 573 HE1 PHE 78 1HE PHE 78 -1.179 2.737 -2.964 574 HE2 PHE 78 2HE PHE 78 -3.948 5.495 -1.260 575 HZ PHE 78 HZ PHE 78 -3.005 4.368 -3.236 576 H LEU 79 H LEU 79 0.362 5.934 0.537 577 HA LEU 79 HA LEU 79 -0.410 7.701 2.672 578 HB2 LEU 79 1HB LEU 79 1.558 9.012 2.787 579 HB3 LEU 79 2HB LEU 79 2.036 7.333 3.031 580 HG LEU 79 HG LEU 79 2.519 7.477 0.428 581 HD11 LEU 79 1HD1 LEU 79 2.946 10.316 1.349 582 HD12 LEU 79 2HD1 LEU 79 1.676 9.786 0.245 583 HD13 LEU 79 3HD1 LEU 79 3.370 9.640 -0.225 584 HD21 LEU 79 3HD2 LEU 79 4.105 6.946 2.271 585 HD22 LEU 79 1HD2 LEU 79 4.393 8.676 2.463 586 HD23 LEU 79 2HD2 LEU 79 4.825 7.872 0.953 587 H ALA 80 H ALA 80 -0.501 9.996 1.908 588 HA ALA 80 HA ALA 80 -1.287 10.033 -0.920 589 HB1 ALA 80 3HB ALA 80 -1.974 12.282 0.889 590 HB2 ALA 80 1HB ALA 80 -2.910 11.545 -0.413 591 HB3 ALA 80 2HB ALA 80 -2.786 10.739 1.151 592 H TYR 81 H TYR 81 -0.460 11.495 -2.355 593 HA TYR 81 HA TYR 81 1.432 13.506 -1.407 594 HB2 TYR 81 1HB TYR 81 3.240 12.781 -2.738 595 HB3 TYR 81 2HB TYR 81 2.644 11.321 -1.958 596 HD1 TYR 81 1HD TYR 81 2.507 13.244 -5.134 597 HD2 TYR 81 2HD TYR 81 1.972 9.472 -3.238 598 HE1 TYR 81 1HE TYR 81 2.258 12.178 -7.337 599 HE2 TYR 81 2HE TYR 81 1.722 8.396 -5.435 600 HH TYR 81 HH TYR 81 2.460 8.899 -7.826 601 H ASN 82 H ASN 82 1.169 15.367 -2.453 602 HA ASN 82 HA ASN 82 -0.085 15.314 -5.118 603 HB2 ASN 82 1HB ASN 82 -1.531 17.066 -4.583 604 HB3 ASN 82 2HB ASN 82 -1.541 16.097 -3.113 605 HD21 ASN 82 1HD2 ASN 82 0.352 16.755 -1.588 606 HD22 ASN 82 2HD2 ASN 82 0.481 18.453 -1.296 607 H ARG 83 H ARG 83 0.073 17.818 -5.935 608 HA ARG 83 HA ARG 83 2.472 18.268 -6.995 609 HB2 ARG 83 1HB ARG 83 0.906 19.830 -7.655 610 HB3 ARG 83 2HB ARG 83 0.404 20.180 -6.007 611 HG2 ARG 83 1HG ARG 83 2.075 21.701 -5.670 612 HG3 ARG 83 2HG ARG 83 3.154 20.938 -6.839 613 HD2 ARG 83 1HD ARG 83 0.631 22.398 -7.596 614 HD3 ARG 83 2HD ARG 83 2.219 23.163 -7.534 615 HE ARG 83 HE ARG 83 2.613 21.025 -9.151 616 HH11 ARG 83 1HH1 ARG 83 0.309 23.635 -9.133 617 HH12 ARG 83 2HH1 ARG 83 0.118 23.652 -10.855 618 HH21 ARG 83 1HH2 ARG 83 2.370 21.038 -11.419 619 HH22 ARG 83 2HH2 ARG 83 1.290 22.174 -12.154 620 H TYR 84 H TYR 84 1.612 19.035 -3.670 621 HA TYR 84 HA TYR 84 4.044 20.391 -3.058 622 HB2 TYR 84 1HB TYR 84 2.288 19.030 -1.027 623 HB3 TYR 84 2HB TYR 84 3.268 20.479 -0.834 624 HD1 TYR 84 1HD TYR 84 2.316 21.721 -3.527 625 HD2 TYR 84 2HD TYR 84 0.267 20.046 -0.196 626 HE1 TYR 84 1HE TYR 84 0.357 23.116 -4.039 627 HE2 TYR 84 2HE TYR 84 -1.699 21.436 -0.699 628 HH TYR 84 HH TYR 84 -2.007 23.191 -3.634 629 H GLY 85 H GLY 85 2.821 17.147 -2.206 630 HA2 GLY 85 1HA GLY 85 4.863 15.539 -2.757 631 HA3 GLY 85 2HA GLY 85 5.491 16.361 -1.337 632 HA PRO 86 HA PRO 86 2.995 12.584 -0.102 633 HB2 PRO 86 1HB PRO 86 5.009 11.325 1.213 634 HB3 PRO 86 2HB PRO 86 4.704 11.103 -0.514 635 HG2 PRO 86 1HG PRO 86 6.720 12.850 0.844 636 HG3 PRO 86 2HG PRO 86 6.917 11.815 -0.581 637 HD2 PRO 86 1HD PRO 86 6.561 14.493 -0.764 638 HD3 PRO 86 2HD PRO 86 5.959 13.363 -1.994 639 H GLY 87 H GLY 87 1.754 13.164 1.568 640 HA2 GLY 87 1HA GLY 87 2.889 14.653 3.798 641 HA3 GLY 87 2HA GLY 87 1.184 14.333 3.517 642 H VAL 88 H VAL 88 0.772 13.628 5.599 643 HA VAL 88 HA VAL 88 2.283 11.799 7.065 644 HB VAL 88 HB VAL 88 -0.714 12.170 7.162 645 HG11 VAL 88 1HG1 VAL 88 1.246 10.951 9.093 646 HG12 VAL 88 2HG1 VAL 88 -0.387 11.440 9.548 647 HG13 VAL 88 3HG1 VAL 88 -0.148 10.183 8.334 648 HG21 VAL 88 3HG2 VAL 88 -0.289 14.217 7.921 649 HG22 VAL 88 1HG2 VAL 88 0.521 13.482 9.305 650 HG23 VAL 88 2HG2 VAL 88 1.449 13.926 7.872 651 H SER 89 H SER 89 2.618 9.683 6.890 652 HA SER 89 HA SER 89 1.103 8.187 4.888 653 HB2 SER 89 1HB SER 89 2.902 6.465 5.212 654 HB3 SER 89 2HB SER 89 3.497 8.029 4.656 655 HG SER 89 HG SER 89 4.313 8.438 6.640 656 H THR 90 H THR 90 0.160 6.163 5.329 657 HA THR 90 HA THR 90 -1.093 5.990 7.891 658 HB THR 90 HB THR 90 -2.193 3.983 7.028 659 HG1 THR 90 1HG THR 90 -0.121 3.509 5.708 660 HG21 THR 90 3HG2 THR 90 -2.946 6.291 6.353 661 HG22 THR 90 1HG2 THR 90 -3.429 4.996 5.258 662 HG23 THR 90 2HG2 THR 90 -2.080 6.051 4.836 663 H ASP 91 H ASP 91 -1.132 3.932 9.150 664 HA ASP 91 HA ASP 91 1.528 3.212 9.893 665 HB2 ASP 91 1HB ASP 91 -1.099 1.997 10.775 666 HB3 ASP 91 2HB ASP 91 0.459 1.784 11.568 667 H ASP 92 H ASP 92 2.714 1.481 9.349 668 HA ASP 92 HA ASP 92 2.532 0.057 7.105 669 HB2 ASP 92 1HB ASP 92 3.354 -1.296 9.677 670 HB3 ASP 92 2HB ASP 92 3.945 -1.627 8.051 671 H ILE 93 H ILE 93 0.986 -1.102 6.186 672 HA ILE 93 HA ILE 93 -1.079 -2.345 7.802 673 HB ILE 93 HB ILE 93 -0.776 -2.205 4.800 674 HG12 ILE 93 1HG1 ILE 93 -2.703 -0.681 6.554 675 HG13 ILE 93 2HG1 ILE 93 -1.136 -0.035 6.080 676 HG21 ILE 93 1HG2 ILE 93 -3.390 -2.654 5.194 677 HG22 ILE 93 2HG2 ILE 93 -2.216 -3.943 4.933 678 HG23 ILE 93 3HG2 ILE 93 -2.728 -3.535 6.571 679 HD11 ILE 93 3HD1 ILE 93 -3.606 -0.098 4.623 680 HD12 ILE 93 1HD1 ILE 93 -2.112 0.769 4.268 681 HD13 ILE 93 2HD1 ILE 93 -2.323 -0.891 3.710 682 H THR 94 H THR 94 -0.323 -4.173 8.747 683 HA THR 94 HA THR 94 1.259 -6.084 7.253 684 HB THR 94 HB THR 94 0.102 -6.454 10.017 685 HG1 THR 94 1HG THR 94 1.474 -4.501 9.676 686 HG21 THR 94 3HG2 THR 94 0.937 -8.506 9.174 687 HG22 THR 94 1HG2 THR 94 2.193 -7.873 10.238 688 HG23 THR 94 2HG2 THR 94 2.364 -7.728 8.489 689 H VAL 95 H VAL 95 0.369 -7.541 5.959 690 HA VAL 95 HA VAL 95 -2.173 -8.781 6.749 691 HB VAL 95 HB VAL 95 -1.527 -7.786 3.970 692 HG11 VAL 95 1HG1 VAL 95 -2.816 -9.494 3.314 693 HG12 VAL 95 2HG1 VAL 95 -3.395 -9.806 4.952 694 HG13 VAL 95 3HG1 VAL 95 -4.156 -8.554 3.970 695 HG21 VAL 95 3HG2 VAL 95 -2.867 -6.015 4.338 696 HG22 VAL 95 1HG2 VAL 95 -3.996 -6.945 5.324 697 HG23 VAL 95 2HG2 VAL 95 -2.505 -6.328 6.036 698 H VAL 96 H VAL 96 -1.597 -10.823 7.145 699 HA VAL 96 HA VAL 96 0.539 -12.127 5.732 700 HB VAL 96 HB VAL 96 -1.476 -13.370 7.607 701 HG11 VAL 96 1HG1 VAL 96 -0.370 -15.099 6.474 702 HG12 VAL 96 2HG1 VAL 96 1.178 -14.254 6.516 703 HG13 VAL 96 3HG1 VAL 96 0.504 -14.934 7.997 704 HG21 VAL 96 3HG2 VAL 96 0.905 -13.042 8.980 705 HG22 VAL 96 1HG2 VAL 96 0.700 -11.521 8.112 706 HG23 VAL 96 2HG2 VAL 96 -0.567 -12.095 9.196 707 H THR 97 H THR 97 0.319 -12.943 3.765 708 HA THR 97 HA THR 97 -2.024 -13.248 2.337 709 HB THR 97 HB THR 97 -0.663 -14.964 0.960 710 HG1 THR 97 1HG THR 97 1.356 -15.338 1.582 711 HG21 THR 97 3HG2 THR 97 0.926 -13.062 0.218 712 HG22 THR 97 1HG2 THR 97 0.060 -12.088 1.405 713 HG23 THR 97 2HG2 THR 97 -0.813 -12.820 0.059 714 H LEU 98 H LEU 98 -3.136 -15.173 1.600 715 HA LEU 98 HA LEU 98 -3.958 -16.838 3.719 716 HB2 LEU 98 1HB LEU 98 -4.335 -17.383 0.784 717 HB3 LEU 98 2HB LEU 98 -5.332 -17.954 2.120 718 HG LEU 98 HG LEU 98 -5.150 -15.148 1.037 719 HD11 LEU 98 1HD1 LEU 98 -7.466 -15.446 0.490 720 HD12 LEU 98 2HD1 LEU 98 -7.493 -17.028 1.268 721 HD13 LEU 98 3HD1 LEU 98 -6.546 -16.784 -0.200 722 HD21 LEU 98 3HD2 LEU 98 -5.760 -16.027 3.696 723 HD22 LEU 98 1HD2 LEU 98 -7.203 -15.348 2.943 724 HD23 LEU 98 2HD2 LEU 98 -5.726 -14.389 3.041 725 H SER 99 H SER 99 -4.141 -19.376 2.940 726 HA SER 99 HA SER 99 -1.427 -20.286 2.290 727 HB2 SER 99 1HB SER 99 -1.315 -20.495 4.612 728 HB3 SER 99 2HB SER 99 -3.020 -20.924 4.755 729 HG SER 99 HG SER 99 -2.031 -22.830 4.979 730 H ASP 100 H ASP 100 -1.790 -21.288 0.406 731 HA ASP 100 HA ASP 100 -4.165 -22.556 -0.368 732 HB2 ASP 100 1HB ASP 100 -2.527 -21.844 -2.010 733 HB3 ASP 100 2HB ASP 100 -1.337 -22.966 -1.358 734 H SER 101 H SER 101 -4.964 -24.051 1.035 735 HA SER 101 HA SER 101 -3.797 -26.660 0.989 736 HB2 SER 101 1HB SER 101 -3.548 -24.962 3.437 737 HB3 SER 101 2HB SER 101 -3.862 -26.686 3.635 738 HG SER 101 HG SER 101 -1.620 -26.210 3.589 739 H GLY 102 H GLY 102 -5.459 -28.004 0.827 740 HA2 GLY 102 1HA GLY 102 -7.613 -28.152 2.599 741 HA3 GLY 102 2HA GLY 102 -8.136 -27.193 1.223 742 HA PRO 103 HA PRO 103 -9.006 -30.788 -1.119 743 HB2 PRO 103 1HB PRO 103 -8.067 -30.183 -3.593 744 HB3 PRO 103 2HB PRO 103 -9.506 -29.426 -2.900 745 HG2 PRO 103 1HG PRO 103 -6.705 -28.382 -3.057 746 HG3 PRO 103 2HG PRO 103 -8.233 -27.534 -3.358 747 HD2 PRO 103 1HD PRO 103 -6.868 -27.293 -1.032 748 HD3 PRO 103 2HD PRO 103 -8.639 -27.205 -1.113 749 H SER 104 H SER 104 -5.903 -30.060 -0.274 750 HA SER 104 HA SER 104 -4.838 -32.488 -1.564 751 HB2 SER 104 1HB SER 104 -3.775 -30.278 -2.235 752 HB3 SER 104 2HB SER 104 -3.174 -30.165 -0.581 753 HG SER 104 HG SER 104 -2.575 -32.131 -2.529 754 H SER 105 H SER 105 -4.589 -34.111 -0.195 755 HA SER 105 HA SER 105 -3.829 -33.507 2.587 756 HB2 SER 105 1HB SER 105 -6.145 -34.233 2.571 757 HB3 SER 105 2HB SER 105 -5.730 -35.647 1.601 758 HG SER 105 HG SER 105 -4.168 -35.777 3.671 759 H GLY 106 H GLY 106 -1.626 -33.796 1.865 760 HA2 GLY 106 1HA GLY 106 -0.866 -36.624 1.922 761 HA3 GLY 106 2HA GLY 106 -0.300 -35.654 0.570 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.275 24.929 6.560 2 HA2 GLY 1 1HA GLY 1 14.025 24.380 5.939 3 HA3 GLY 1 2HA GLY 1 13.024 22.937 5.898 4 H SER 2 H SER 2 11.464 22.701 4.288 5 HA SER 2 HA SER 2 11.978 24.314 1.916 6 HB2 SER 2 1HB SER 2 12.005 21.865 1.695 7 HB3 SER 2 2HB SER 2 10.334 21.792 2.256 8 HG SER 2 HG SER 2 9.911 23.246 0.390 9 H SER 3 H SER 3 10.846 26.156 1.867 10 HA SER 3 HA SER 3 8.259 26.446 3.032 11 HB2 SER 3 1HB SER 3 9.834 28.231 1.164 12 HB3 SER 3 2HB SER 3 8.297 28.688 1.899 13 HG SER 3 HG SER 3 10.731 28.081 3.221 14 H GLY 4 H GLY 4 6.273 26.319 2.133 15 HA2 GLY 4 1HA GLY 4 4.855 26.565 0.154 16 HA3 GLY 4 2HA GLY 4 6.134 25.792 -0.770 17 H SER 5 H SER 5 6.694 23.523 -0.010 18 HA SER 5 HA SER 5 4.325 21.952 -0.109 19 HB2 SER 5 1HB SER 5 7.112 20.977 0.541 20 HB3 SER 5 2HB SER 5 5.782 20.046 -0.149 21 HG SER 5 HG SER 5 7.634 21.289 -1.470 22 H SER 6 H SER 6 3.071 21.329 1.510 23 HA SER 6 HA SER 6 4.183 21.354 4.238 24 HB2 SER 6 1HB SER 6 2.402 23.010 3.904 25 HB3 SER 6 2HB SER 6 1.313 21.739 3.349 26 HG SER 6 HG SER 6 1.148 22.388 5.631 27 H GLY 7 H GLY 7 2.395 19.523 1.865 28 HA2 GLY 7 1HA GLY 7 2.412 17.155 1.797 29 HA3 GLY 7 2HA GLY 7 2.744 17.133 3.523 30 HA PRO 8 HA PRO 8 -1.982 17.171 2.380 31 HB2 PRO 8 1HB PRO 8 -2.453 14.749 1.248 32 HB3 PRO 8 2HB PRO 8 -2.101 16.199 0.301 33 HG2 PRO 8 1HG PRO 8 -0.272 13.967 1.096 34 HG3 PRO 8 2HG PRO 8 -0.413 14.796 -0.465 35 HD2 PRO 8 1HD PRO 8 1.542 15.369 1.318 36 HD3 PRO 8 2HD PRO 8 0.851 16.593 0.233 37 H GLY 9 H GLY 9 -3.637 15.445 3.158 38 HA2 GLY 9 1HA GLY 9 -2.623 14.432 5.699 39 HA3 GLY 9 2HA GLY 9 -4.312 14.592 5.242 40 HA PRO 10 HA PRO 10 -2.698 10.144 4.815 41 HB2 PRO 10 1HB PRO 10 -3.972 9.074 6.960 42 HB3 PRO 10 2HB PRO 10 -2.340 9.746 7.049 43 HG2 PRO 10 1HG PRO 10 -4.948 10.995 7.823 44 HG3 PRO 10 2HG PRO 10 -3.395 11.026 8.679 45 HD2 PRO 10 1HD PRO 10 -4.271 13.101 7.176 46 HD3 PRO 10 2HD PRO 10 -2.549 12.703 7.344 47 H VAL 11 H VAL 11 -3.861 9.137 3.312 48 HA VAL 11 HA VAL 11 -6.392 9.651 2.481 49 HB VAL 11 HB VAL 11 -6.467 7.453 1.448 50 HG11 VAL 11 1HG1 VAL 11 -5.044 9.099 0.400 51 HG12 VAL 11 2HG1 VAL 11 -3.701 8.656 1.456 52 HG13 VAL 11 3HG1 VAL 11 -4.301 7.506 0.261 53 HG21 VAL 11 3HG2 VAL 11 -4.103 6.193 2.153 54 HG22 VAL 11 1HG2 VAL 11 -4.763 6.757 3.688 55 HG23 VAL 11 2HG2 VAL 11 -5.730 5.718 2.641 56 H GLU 12 H GLU 12 -8.345 8.183 2.579 57 HA GLU 12 HA GLU 12 -8.788 7.293 5.353 58 HB2 GLU 12 1HB GLU 12 -10.886 8.433 3.505 59 HB3 GLU 12 2HB GLU 12 -11.064 8.056 5.213 60 HG2 GLU 12 1HG GLU 12 -9.066 9.793 5.406 61 HG3 GLU 12 2HG GLU 12 -9.780 10.377 3.904 62 H ASN 13 H ASN 13 -10.904 5.871 5.394 63 HA ASN 13 HA ASN 13 -11.522 3.683 5.043 64 HB2 ASN 13 1HB ASN 13 -11.943 5.065 2.398 65 HB3 ASN 13 2HB ASN 13 -12.462 3.404 2.669 66 HD21 ASN 13 1HD2 ASN 13 -13.568 6.411 2.548 67 HD22 ASN 13 2HD2 ASN 13 -14.865 6.328 3.687 68 H LEU 14 H LEU 14 -8.790 3.766 5.056 69 HA LEU 14 HA LEU 14 -7.849 2.321 2.704 70 HB2 LEU 14 1HB LEU 14 -6.360 4.000 3.447 71 HB3 LEU 14 2HB LEU 14 -6.477 3.463 5.121 72 HG LEU 14 HG LEU 14 -5.411 1.259 4.069 73 HD11 LEU 14 1HD1 LEU 14 -5.061 1.683 1.866 74 HD12 LEU 14 2HD1 LEU 14 -3.558 2.345 2.508 75 HD13 LEU 14 3HD1 LEU 14 -4.896 3.422 2.110 76 HD21 LEU 14 3HD2 LEU 14 -3.276 3.151 4.420 77 HD22 LEU 14 1HD2 LEU 14 -3.786 1.828 5.469 78 HD23 LEU 14 2HD2 LEU 14 -4.539 3.415 5.624 79 H GLN 15 H GLN 15 -7.963 0.186 2.626 80 HA GLN 15 HA GLN 15 -7.359 -1.390 4.996 81 HB2 GLN 15 1HB GLN 15 -10.014 -1.358 3.615 82 HB3 GLN 15 2HB GLN 15 -9.426 -2.858 4.318 83 HG2 GLN 15 1HG GLN 15 -9.404 -0.399 5.988 84 HG3 GLN 15 2HG GLN 15 -10.941 -1.207 5.682 85 HE21 GLN 15 1HE2 GLN 15 -11.211 -1.835 7.802 86 HE22 GLN 15 2HE2 GLN 15 -10.249 -3.064 8.543 87 H ALA 16 H ALA 16 -6.407 -3.325 4.543 88 HA ALA 16 HA ALA 16 -6.282 -4.151 1.722 89 HB1 ALA 16 3HB ALA 16 -4.051 -4.023 1.606 90 HB2 ALA 16 1HB ALA 16 -4.186 -2.952 3.001 91 HB3 ALA 16 2HB ALA 16 -3.835 -4.665 3.234 92 H VAL 17 H VAL 17 -6.543 -6.280 1.368 93 HA VAL 17 HA VAL 17 -6.067 -8.209 3.487 94 HB VAL 17 HB VAL 17 -8.361 -7.563 3.953 95 HG11 VAL 17 1HG1 VAL 17 -9.994 -8.356 1.980 96 HG12 VAL 17 2HG1 VAL 17 -9.409 -6.699 2.142 97 HG13 VAL 17 3HG1 VAL 17 -8.620 -7.808 1.020 98 HG21 VAL 17 3HG2 VAL 17 -9.241 -9.693 4.129 99 HG22 VAL 17 1HG2 VAL 17 -8.628 -10.189 2.551 100 HG23 VAL 17 2HG2 VAL 17 -7.523 -10.029 3.916 101 H SER 18 H SER 18 -5.611 -10.236 2.736 102 HA SER 18 HA SER 18 -5.254 -10.472 -0.145 103 HB2 SER 18 1HB SER 18 -3.377 -11.057 1.342 104 HB3 SER 18 2HB SER 18 -4.364 -12.311 2.092 105 HG SER 18 HG SER 18 -3.242 -12.222 -0.480 106 H THR 19 H THR 19 -6.507 -11.658 -1.431 107 HA THR 19 HA THR 19 -8.496 -13.432 -0.174 108 HB THR 19 HB THR 19 -10.015 -12.975 -1.919 109 HG1 THR 19 1HG THR 19 -9.421 -12.264 -3.869 110 HG21 THR 19 3HG2 THR 19 -8.550 -10.439 -1.192 111 HG22 THR 19 1HG2 THR 19 -9.946 -11.140 -0.375 112 HG23 THR 19 2HG2 THR 19 -10.118 -10.475 -1.999 113 H SER 20 H SER 20 -5.733 -14.113 -0.968 114 HA SER 20 HA SER 20 -6.246 -16.614 -2.165 115 HB2 SER 20 1HB SER 20 -5.680 -14.405 -3.987 116 HB3 SER 20 2HB SER 20 -4.533 -15.733 -4.160 117 HG SER 20 HG SER 20 -6.076 -16.566 -5.328 118 HA PRO 21 HA PRO 21 -2.330 -17.961 -0.730 119 HB2 PRO 21 1HB PRO 21 -1.329 -18.202 -3.530 120 HB3 PRO 21 2HB PRO 21 -1.314 -19.391 -2.223 121 HG2 PRO 21 1HG PRO 21 -3.086 -19.541 -4.228 122 HG3 PRO 21 2HG PRO 21 -3.515 -19.999 -2.569 123 HD2 PRO 21 1HD PRO 21 -4.287 -17.616 -4.134 124 HD3 PRO 21 2HD PRO 21 -5.154 -18.453 -2.830 125 H THR 22 H THR 22 -1.862 -15.928 -3.625 126 HA THR 22 HA THR 22 0.014 -14.280 -2.078 127 HB THR 22 HB THR 22 1.581 -14.140 -3.905 128 HG1 THR 22 1HG THR 22 -0.435 -14.855 -5.395 129 HG21 THR 22 3HG2 THR 22 1.791 -16.049 -2.330 130 HG22 THR 22 1HG2 THR 22 2.456 -16.392 -3.926 131 HG23 THR 22 2HG2 THR 22 0.884 -17.046 -3.467 132 H SER 23 H SER 23 -1.529 -12.655 -1.894 133 HA SER 23 HA SER 23 -1.677 -10.841 -4.085 134 HB2 SER 23 1HB SER 23 -3.934 -10.948 -4.682 135 HB3 SER 23 2HB SER 23 -3.498 -12.650 -4.523 136 HG SER 23 HG SER 23 -4.242 -12.140 -2.179 137 H ILE 24 H ILE 24 -3.201 -8.957 -3.504 138 HA ILE 24 HA ILE 24 -3.812 -8.586 -0.728 139 HB ILE 24 HB ILE 24 -1.501 -7.041 -1.909 140 HG12 ILE 24 1HG1 ILE 24 -1.731 -9.050 0.331 141 HG13 ILE 24 2HG1 ILE 24 -0.719 -9.141 -1.106 142 HG21 ILE 24 1HG2 ILE 24 -3.085 -6.633 0.614 143 HG22 ILE 24 2HG2 ILE 24 -1.462 -5.983 0.393 144 HG23 ILE 24 3HG2 ILE 24 -2.767 -5.476 -0.678 145 HD11 ILE 24 3HD1 ILE 24 0.490 -7.107 -0.202 146 HD12 ILE 24 1HD1 ILE 24 -0.365 -7.406 1.311 147 HD13 ILE 24 2HD1 ILE 24 0.728 -8.627 0.660 148 H LEU 25 H LEU 25 -5.786 -7.772 -1.101 149 HA LEU 25 HA LEU 25 -6.236 -5.848 -3.221 150 HB2 LEU 25 1HB LEU 25 -7.820 -7.724 -2.562 151 HB3 LEU 25 2HB LEU 25 -8.216 -6.752 -1.147 152 HG LEU 25 HG LEU 25 -9.028 -4.962 -2.632 153 HD11 LEU 25 1HD1 LEU 25 -9.311 -6.497 -5.030 154 HD12 LEU 25 2HD1 LEU 25 -7.607 -6.387 -4.592 155 HD13 LEU 25 3HD1 LEU 25 -8.561 -4.918 -4.797 156 HD21 LEU 25 3HD2 LEU 25 -10.826 -6.695 -3.748 157 HD22 LEU 25 1HD2 LEU 25 -10.908 -6.055 -2.106 158 HD23 LEU 25 2HD2 LEU 25 -10.184 -7.636 -2.400 159 H ILE 26 H ILE 26 -5.437 -3.875 -2.772 160 HA ILE 26 HA ILE 26 -5.892 -2.720 -0.119 161 HB ILE 26 HB ILE 26 -4.290 -1.482 -2.349 162 HG12 ILE 26 1HG1 ILE 26 -2.993 -2.996 -0.120 163 HG13 ILE 26 2HG1 ILE 26 -3.625 -3.894 -1.495 164 HG21 ILE 26 1HG2 ILE 26 -3.120 -0.473 -0.316 165 HG22 ILE 26 2HG2 ILE 26 -4.738 0.115 -0.695 166 HG23 ILE 26 3HG2 ILE 26 -4.505 -1.045 0.612 167 HD11 ILE 26 3HD1 ILE 26 -1.775 -3.453 -2.611 168 HD12 ILE 26 1HD1 ILE 26 -2.128 -1.728 -2.515 169 HD13 ILE 26 2HD1 ILE 26 -1.168 -2.504 -1.255 170 H THR 27 H THR 27 -7.759 -1.682 0.101 171 HA THR 27 HA THR 27 -8.760 -0.083 -2.162 172 HB THR 27 HB THR 27 -10.992 -0.233 -1.065 173 HG1 THR 27 1HG THR 27 -9.740 -0.952 1.019 174 HG21 THR 27 3HG2 THR 27 -11.445 -2.066 -2.276 175 HG22 THR 27 1HG2 THR 27 -10.350 -3.071 -1.328 176 HG23 THR 27 2HG2 THR 27 -9.722 -2.086 -2.650 177 H TRP 28 H TRP 28 -7.879 1.898 -1.808 178 HA TRP 28 HA TRP 28 -8.283 3.114 0.841 179 HB2 TRP 28 1HB TRP 28 -6.499 4.671 0.261 180 HB3 TRP 28 2HB TRP 28 -5.940 3.012 0.064 181 HD1 TRP 28 HD TRP 28 -6.295 6.236 -1.789 182 HE1 TRP 28 1HE TRP 28 -5.544 5.931 -4.233 183 HE3 TRP 28 3HE TRP 28 -5.995 1.134 -1.915 184 HZ2 TRP 28 2HZ TRP 28 -4.910 3.808 -5.982 185 HZ3 TRP 28 3HZ TRP 28 -5.309 0.044 -4.011 186 HH2 TRP 28 HH TRP 28 -4.779 1.355 -6.002 187 H GLU 29 H GLU 29 -8.331 5.685 0.504 188 HA GLU 29 HA GLU 29 -10.038 6.432 -1.728 189 HB2 GLU 29 1HB GLU 29 -10.963 6.209 1.091 190 HB3 GLU 29 2HB GLU 29 -11.523 7.591 0.161 191 HG2 GLU 29 1HG GLU 29 -12.138 5.794 -1.619 192 HG3 GLU 29 2HG GLU 29 -12.067 4.690 -0.246 193 HA PRO 30 HA PRO 30 -8.052 10.328 -1.394 194 HB2 PRO 30 1HB PRO 30 -10.037 12.067 -2.031 195 HB3 PRO 30 2HB PRO 30 -9.271 11.006 -3.220 196 HG2 PRO 30 1HG PRO 30 -11.871 10.667 -1.774 197 HG3 PRO 30 2HG PRO 30 -11.493 10.372 -3.481 198 HD2 PRO 30 1HD PRO 30 -11.647 8.377 -1.656 199 HD3 PRO 30 2HD PRO 30 -10.543 8.318 -3.045 200 HA PRO 31 HA PRO 31 -8.819 11.714 2.758 201 HB2 PRO 31 1HB PRO 31 -6.944 13.678 2.791 202 HB3 PRO 31 2HB PRO 31 -6.540 11.962 2.924 203 HG2 PRO 31 1HG PRO 31 -6.429 13.754 0.529 204 HG3 PRO 31 2HG PRO 31 -5.258 12.538 1.071 205 HD2 PRO 31 1HD PRO 31 -7.036 12.065 -0.916 206 HD3 PRO 31 2HD PRO 31 -6.473 10.791 0.185 207 H ALA 32 H ALA 32 -9.885 13.385 3.779 208 HA ALA 32 HA ALA 32 -11.124 15.352 2.009 209 HB1 ALA 32 3HB ALA 32 -12.153 13.786 4.014 210 HB2 ALA 32 1HB ALA 32 -11.993 15.361 4.792 211 HB3 ALA 32 2HB ALA 32 -12.935 15.201 3.309 212 H TYR 33 H TYR 33 -9.183 15.169 4.956 213 HA TYR 33 HA TYR 33 -8.972 18.086 5.028 214 HB2 TYR 33 1HB TYR 33 -7.576 17.426 7.166 215 HB3 TYR 33 2HB TYR 33 -9.336 17.400 7.198 216 HD1 TYR 33 2HD TYR 33 -6.407 15.178 6.570 217 HD2 TYR 33 1HD TYR 33 -10.439 15.478 7.896 218 HE1 TYR 33 2HE TYR 33 -6.353 12.815 7.250 219 HE2 TYR 33 1HE TYR 33 -10.396 13.117 8.581 220 HH TYR 33 HH TYR 33 -8.520 10.944 7.578 221 H ALA 34 H ALA 34 -7.750 17.036 2.829 222 HA ALA 34 HA ALA 34 -4.897 16.839 3.453 223 HB1 ALA 34 3HB ALA 34 -6.110 15.244 1.862 224 HB2 ALA 34 1HB ALA 34 -6.097 16.584 0.714 225 HB3 ALA 34 2HB ALA 34 -4.576 15.929 1.323 226 H ASN 35 H ASN 35 -3.525 17.921 1.569 227 HA ASN 35 HA ASN 35 -4.367 20.740 1.498 228 HB2 ASN 35 1HB ASN 35 -2.298 20.362 2.737 229 HB3 ASN 35 2HB ASN 35 -1.594 19.536 1.350 230 HD21 ASN 35 1HD2 ASN 35 -0.019 21.355 2.052 231 HD22 ASN 35 2HD2 ASN 35 -0.163 22.826 1.156 232 H GLY 36 H GLY 36 -5.350 21.111 -0.402 233 HA2 GLY 36 1HA GLY 36 -5.536 21.469 -2.667 234 HA3 GLY 36 2HA GLY 36 -3.832 21.063 -2.808 235 HA PRO 37 HA PRO 37 -6.210 17.750 -4.969 236 HB2 PRO 37 1HB PRO 37 -4.502 17.589 -7.072 237 HB3 PRO 37 2HB PRO 37 -5.832 18.750 -7.003 238 HG2 PRO 37 1HG PRO 37 -2.927 19.160 -6.408 239 HG3 PRO 37 2HG PRO 37 -4.043 20.202 -7.311 240 HD2 PRO 37 1HD PRO 37 -3.359 20.686 -4.736 241 HD3 PRO 37 2HD PRO 37 -4.955 21.099 -5.394 242 H VAL 38 H VAL 38 -5.197 15.667 -5.964 243 HA VAL 38 HA VAL 38 -2.866 14.842 -4.364 244 HB VAL 38 HB VAL 38 -5.381 13.229 -4.817 245 HG11 VAL 38 1HG1 VAL 38 -4.308 11.363 -4.197 246 HG12 VAL 38 2HG1 VAL 38 -2.839 12.237 -4.636 247 HG13 VAL 38 3HG1 VAL 38 -3.376 12.199 -2.956 248 HG21 VAL 38 3HG2 VAL 38 -4.521 15.008 -2.709 249 HG22 VAL 38 1HG2 VAL 38 -6.082 14.224 -2.953 250 HG23 VAL 38 2HG2 VAL 38 -4.794 13.376 -2.099 251 H GLN 39 H GLN 39 -1.462 14.964 -6.103 252 HA GLN 39 HA GLN 39 -1.717 14.291 -8.694 253 HB2 GLN 39 1HB GLN 39 0.579 13.685 -6.837 254 HB3 GLN 39 2HB GLN 39 0.674 13.422 -8.573 255 HG2 GLN 39 1HG GLN 39 -0.135 15.936 -8.635 256 HG3 GLN 39 2HG GLN 39 0.604 15.956 -7.035 257 HE21 GLN 39 1HE2 GLN 39 1.461 17.404 -9.342 258 HE22 GLN 39 2HE2 GLN 39 3.060 16.871 -9.717 259 H GLY 40 H GLY 40 -1.428 12.010 -6.020 260 HA2 GLY 40 1HA GLY 40 -2.890 9.977 -7.197 261 HA3 GLY 40 2HA GLY 40 -1.216 9.681 -7.644 262 H TYR 41 H TYR 41 -0.880 7.847 -6.465 263 HA TYR 41 HA TYR 41 -0.583 8.223 -3.599 264 HB2 TYR 41 1HB TYR 41 -2.176 5.884 -4.655 265 HB3 TYR 41 2HB TYR 41 -1.878 6.297 -2.971 266 HD1 TYR 41 1HD TYR 41 -3.742 7.229 -6.007 267 HD2 TYR 41 2HD TYR 41 -3.186 7.967 -1.853 268 HE1 TYR 41 1HE TYR 41 -5.823 8.540 -5.967 269 HE2 TYR 41 2HE TYR 41 -5.266 9.279 -1.802 270 HH TYR 41 HH TYR 41 -6.803 10.395 -4.541 271 H ARG 42 H ARG 42 1.032 7.000 -2.718 272 HA ARG 42 HA ARG 42 2.471 5.223 -4.576 273 HB2 ARG 42 1HB ARG 42 3.482 7.480 -3.591 274 HB3 ARG 42 2HB ARG 42 3.856 6.429 -2.232 275 HG2 ARG 42 1HG ARG 42 5.087 4.935 -3.724 276 HG3 ARG 42 2HG ARG 42 4.713 5.994 -5.086 277 HD2 ARG 42 1HD ARG 42 5.818 7.839 -3.662 278 HD3 ARG 42 2HD ARG 42 6.495 6.504 -2.731 279 HE ARG 42 HE ARG 42 6.909 6.355 -5.591 280 HH11 ARG 42 1HH1 ARG 42 8.164 7.385 -2.511 281 HH12 ARG 42 2HH1 ARG 42 9.810 7.428 -3.049 282 HH21 ARG 42 1HH2 ARG 42 9.072 6.409 -6.312 283 HH22 ARG 42 2HH2 ARG 42 10.325 6.874 -5.212 284 H LEU 43 H LEU 43 2.839 3.172 -3.979 285 HA LEU 43 HA LEU 43 2.132 2.408 -1.222 286 HB2 LEU 43 1HB LEU 43 0.538 1.379 -2.551 287 HB3 LEU 43 2HB LEU 43 1.681 1.070 -3.856 288 HG LEU 43 HG LEU 43 2.767 -0.606 -2.240 289 HD11 LEU 43 1HD1 LEU 43 1.926 -0.648 -0.183 290 HD12 LEU 43 2HD1 LEU 43 0.491 -1.405 -0.874 291 HD13 LEU 43 3HD1 LEU 43 0.544 0.343 -0.651 292 HD21 LEU 43 3HD2 LEU 43 1.174 -2.353 -2.891 293 HD22 LEU 43 1HD2 LEU 43 1.537 -1.263 -4.229 294 HD23 LEU 43 2HD2 LEU 43 0.011 -1.111 -3.358 295 H PHE 44 H PHE 44 3.458 1.013 -0.106 296 HA PHE 44 HA PHE 44 5.993 0.285 -1.417 297 HB2 PHE 44 1HB PHE 44 5.739 1.093 1.482 298 HB3 PHE 44 2HB PHE 44 7.220 0.829 0.567 299 HD1 PHE 44 2HD PHE 44 7.244 2.347 -1.699 300 HD2 PHE 44 1HD PHE 44 5.257 3.274 1.949 301 HE1 PHE 44 2HE PHE 44 7.316 4.739 -2.271 302 HE2 PHE 44 1HE PHE 44 5.325 5.668 1.382 303 HZ PHE 44 HZ PHE 44 6.357 6.403 -0.730 304 H CYS 45 H CYS 45 6.162 -1.845 -1.543 305 HA CYS 45 HA CYS 45 4.869 -3.499 0.514 306 HB2 CYS 45 1HB CYS 45 4.091 -3.978 -1.728 307 HB3 CYS 45 2HB CYS 45 5.744 -4.167 -2.302 308 HG CYS 45 HG CYS 45 6.239 -6.552 -1.124 309 H THR 46 H THR 46 6.166 -4.240 2.045 310 HA THR 46 HA THR 46 8.955 -4.887 1.339 311 HB THR 46 HB THR 46 7.936 -4.015 4.050 312 HG1 THR 46 1HG THR 46 8.910 -2.046 3.570 313 HG21 THR 46 3HG2 THR 46 9.849 -5.409 4.324 314 HG22 THR 46 1HG2 THR 46 10.405 -3.744 4.486 315 HG23 THR 46 2HG2 THR 46 10.690 -4.626 2.986 316 H GLU 47 H GLU 47 9.688 -6.886 1.783 317 HA GLU 47 HA GLU 47 7.785 -8.799 2.892 318 HB2 GLU 47 1HB GLU 47 8.965 -9.251 0.731 319 HB3 GLU 47 2HB GLU 47 10.476 -9.328 1.625 320 HG2 GLU 47 1HG GLU 47 9.888 -11.301 2.698 321 HG3 GLU 47 2HG GLU 47 8.171 -11.085 2.361 322 H VAL 48 H VAL 48 7.878 -8.417 5.093 323 HA VAL 48 HA VAL 48 9.954 -7.898 6.745 324 HB VAL 48 HB VAL 48 7.773 -9.907 7.324 325 HG11 VAL 48 1HG1 VAL 48 9.809 -9.833 8.863 326 HG12 VAL 48 2HG1 VAL 48 9.244 -8.229 9.334 327 HG13 VAL 48 3HG1 VAL 48 8.223 -9.641 9.610 328 HG21 VAL 48 3HG2 VAL 48 7.049 -7.618 6.554 329 HG22 VAL 48 1HG2 VAL 48 6.472 -8.101 8.149 330 HG23 VAL 48 2HG2 VAL 48 7.819 -6.973 8.004 331 H SER 49 H SER 49 9.319 -10.916 5.116 332 HA SER 49 HA SER 49 10.880 -12.672 6.592 333 HB2 SER 49 1HB SER 49 9.368 -13.045 4.476 334 HB3 SER 49 2HB SER 49 10.883 -12.834 3.599 335 HG SER 49 HG SER 49 10.463 -14.698 5.699 336 H THR 50 H THR 50 11.901 -10.995 3.612 337 HA THR 50 HA THR 50 14.690 -11.434 4.332 338 HB THR 50 HB THR 50 15.171 -10.438 2.088 339 HG1 THR 50 1HG THR 50 13.151 -9.226 1.998 340 HG21 THR 50 3HG2 THR 50 13.256 -12.503 1.342 341 HG22 THR 50 1HG2 THR 50 14.251 -12.962 2.723 342 HG23 THR 50 2HG2 THR 50 15.014 -12.491 1.203 343 H GLY 51 H GLY 51 12.469 -8.744 3.686 344 HA2 GLY 51 1HA GLY 51 12.599 -6.755 5.053 345 HA3 GLY 51 2HA GLY 51 14.338 -6.991 5.143 346 H LYS 52 H LYS 52 12.724 -7.439 2.114 347 HA LYS 52 HA LYS 52 14.101 -5.072 1.076 348 HB2 LYS 52 1HB LYS 52 12.889 -7.476 -0.292 349 HB3 LYS 52 2HB LYS 52 13.532 -6.091 -1.164 350 HG2 LYS 52 1HG LYS 52 15.729 -6.523 -0.442 351 HG3 LYS 52 2HG LYS 52 15.182 -7.658 0.794 352 HD2 LYS 52 1HD LYS 52 14.745 -9.329 -0.750 353 HD3 LYS 52 2HD LYS 52 14.593 -8.190 -2.090 354 HE2 LYS 52 1HE LYS 52 16.931 -7.877 -2.212 355 HE3 LYS 52 2HE LYS 52 17.193 -8.658 -0.654 356 HZ1 LYS 52 3HZ LYS 52 17.511 -10.541 -1.748 357 HZ2 LYS 52 1HZ LYS 52 17.108 -9.822 -3.225 358 HZ3 LYS 52 2HZ LYS 52 15.900 -10.507 -2.261 359 H GLU 53 H GLU 53 13.037 -3.288 0.512 360 HA GLU 53 HA GLU 53 10.100 -3.400 0.424 361 HB2 GLU 53 1HB GLU 53 10.893 -1.917 2.142 362 HB3 GLU 53 2HB GLU 53 11.989 -1.121 1.021 363 HG2 GLU 53 1HG GLU 53 9.918 -0.434 -0.277 364 HG3 GLU 53 2HG GLU 53 8.997 -0.951 1.135 365 H GLN 54 H GLN 54 9.014 -2.833 -1.370 366 HA GLN 54 HA GLN 54 10.565 -1.715 -3.612 367 HB2 GLN 54 1HB GLN 54 9.272 -3.058 -5.153 368 HB3 GLN 54 2HB GLN 54 10.010 -4.106 -3.948 369 HG2 GLN 54 1HG GLN 54 7.882 -4.198 -2.738 370 HG3 GLN 54 2HG GLN 54 7.147 -3.177 -3.973 371 HE21 GLN 54 1HE2 GLN 54 6.235 -5.738 -3.267 372 HE22 GLN 54 2HE2 GLN 54 6.428 -6.775 -4.634 373 H ASN 55 H ASN 55 9.838 0.160 -4.357 374 HA ASN 55 HA ASN 55 7.327 1.218 -3.384 375 HB2 ASN 55 1HB ASN 55 8.957 2.690 -5.399 376 HB3 ASN 55 2HB ASN 55 8.124 3.294 -3.969 377 HD21 ASN 55 1HD2 ASN 55 9.077 2.772 -1.880 378 HD22 ASN 55 2HD2 ASN 55 10.796 2.648 -1.756 379 H ILE 56 H ILE 56 5.501 1.578 -4.543 380 HA ILE 56 HA ILE 56 5.529 1.010 -7.420 381 HB ILE 56 HB ILE 56 3.560 -0.194 -5.471 382 HG12 ILE 56 1HG1 ILE 56 5.485 -1.605 -7.322 383 HG13 ILE 56 2HG1 ILE 56 5.861 -1.246 -5.640 384 HG21 ILE 56 1HG2 ILE 56 2.403 -1.114 -7.306 385 HG22 ILE 56 2HG2 ILE 56 2.658 0.583 -7.710 386 HG23 ILE 56 3HG2 ILE 56 3.677 -0.660 -8.438 387 HD11 ILE 56 3HD1 ILE 56 3.378 -2.503 -5.578 388 HD12 ILE 56 1HD1 ILE 56 4.331 -3.405 -6.756 389 HD13 ILE 56 2HD1 ILE 56 4.937 -3.184 -5.114 390 H GLU 57 H GLU 57 4.063 2.162 -8.625 391 HA GLU 57 HA GLU 57 2.524 4.198 -7.153 392 HB2 GLU 57 1HB GLU 57 4.132 4.295 -9.648 393 HB3 GLU 57 2HB GLU 57 2.663 5.259 -9.612 394 HG2 GLU 57 1HG GLU 57 3.661 6.020 -7.282 395 HG3 GLU 57 2HG GLU 57 5.171 5.560 -8.066 396 H VAL 58 H VAL 58 0.469 3.551 -7.037 397 HA VAL 58 HA VAL 58 -0.770 2.371 -9.435 398 HB VAL 58 HB VAL 58 -2.464 1.415 -7.966 399 HG11 VAL 58 1HG1 VAL 58 0.386 0.859 -7.166 400 HG12 VAL 58 2HG1 VAL 58 -0.982 -0.141 -6.672 401 HG13 VAL 58 3HG1 VAL 58 -0.578 0.020 -8.381 402 HG21 VAL 58 3HG2 VAL 58 -2.860 2.575 -6.084 403 HG22 VAL 58 1HG2 VAL 58 -1.562 1.596 -5.401 404 HG23 VAL 58 2HG2 VAL 58 -1.218 3.213 -6.015 405 H ASP 59 H ASP 59 -3.058 2.918 -9.797 406 HA ASP 59 HA ASP 59 -3.799 5.577 -8.789 407 HB2 ASP 59 1HB ASP 59 -2.825 5.944 -10.982 408 HB3 ASP 59 2HB ASP 59 -3.847 4.691 -11.681 409 H GLY 60 H GLY 60 -5.844 5.705 -8.106 410 HA2 GLY 60 1HA GLY 60 -8.214 5.187 -8.748 411 HA3 GLY 60 2HA GLY 60 -7.675 3.520 -8.884 412 H LEU 61 H LEU 61 -9.418 3.092 -7.353 413 HA LEU 61 HA LEU 61 -8.593 3.663 -4.582 414 HB2 LEU 61 1HB LEU 61 -11.399 3.189 -5.573 415 HB3 LEU 61 2HB LEU 61 -10.918 3.590 -3.925 416 HG LEU 61 HG LEU 61 -10.337 5.484 -6.170 417 HD11 LEU 61 1HD1 LEU 61 -12.638 6.438 -5.018 418 HD12 LEU 61 2HD1 LEU 61 -12.965 4.713 -5.178 419 HD13 LEU 61 3HD1 LEU 61 -12.519 5.661 -6.597 420 HD21 LEU 61 3HD2 LEU 61 -9.503 5.603 -3.694 421 HD22 LEU 61 1HD2 LEU 61 -11.134 6.201 -3.387 422 HD23 LEU 61 2HD2 LEU 61 -10.079 7.056 -4.513 423 H SER 62 H SER 62 -7.887 1.414 -6.378 424 HA SER 62 HA SER 62 -8.092 -0.685 -4.517 425 HB2 SER 62 1HB SER 62 -9.648 -2.176 -5.532 426 HB3 SER 62 2HB SER 62 -10.468 -0.618 -5.425 427 HG SER 62 HG SER 62 -9.593 -0.340 -7.673 428 H TYR 63 H TYR 63 -6.489 -2.091 -4.894 429 HA TYR 63 HA TYR 63 -5.550 -2.560 -7.609 430 HB2 TYR 63 1HB TYR 63 -4.260 -0.601 -6.818 431 HB3 TYR 63 2HB TYR 63 -3.699 -1.543 -5.441 432 HD1 TYR 63 2HD TYR 63 -2.261 -3.576 -5.873 433 HD2 TYR 63 1HD TYR 63 -3.169 -0.730 -8.903 434 HE1 TYR 63 2HE TYR 63 -0.361 -4.394 -7.202 435 HE2 TYR 63 1HE TYR 63 -1.272 -1.542 -10.242 436 HH TYR 63 HH TYR 63 1.122 -2.909 -9.401 437 H LYS 64 H LYS 64 -5.263 -4.666 -7.845 438 HA LYS 64 HA LYS 64 -4.971 -6.353 -5.486 439 HB2 LYS 64 1HB LYS 64 -6.630 -6.794 -7.386 440 HB3 LYS 64 2HB LYS 64 -5.237 -7.289 -8.338 441 HG2 LYS 64 1HG LYS 64 -4.723 -8.931 -6.480 442 HG3 LYS 64 2HG LYS 64 -6.329 -8.560 -5.847 443 HD2 LYS 64 1HD LYS 64 -7.054 -9.073 -8.329 444 HD3 LYS 64 2HD LYS 64 -5.548 -9.993 -8.340 445 HE2 LYS 64 1HE LYS 64 -6.283 -11.314 -6.470 446 HE3 LYS 64 2HE LYS 64 -7.720 -10.313 -6.273 447 HZ1 LYS 64 3HZ LYS 64 -8.025 -11.085 -8.789 448 HZ2 LYS 64 1HZ LYS 64 -8.640 -11.961 -7.478 449 HZ3 LYS 64 2HZ LYS 64 -7.181 -12.426 -8.196 450 H LEU 65 H LEU 65 -2.953 -6.636 -4.789 451 HA LEU 65 HA LEU 65 -0.682 -6.484 -6.535 452 HB2 LEU 65 1HB LEU 65 -0.998 -5.972 -3.936 453 HB3 LEU 65 2HB LEU 65 -0.424 -7.634 -3.815 454 HG LEU 65 HG LEU 65 1.518 -6.784 -5.333 455 HD11 LEU 65 1HD1 LEU 65 1.155 -4.642 -5.937 456 HD12 LEU 65 2HD1 LEU 65 1.898 -4.306 -4.374 457 HD13 LEU 65 3HD1 LEU 65 0.141 -4.301 -4.534 458 HD21 LEU 65 3HD2 LEU 65 2.794 -6.177 -3.339 459 HD22 LEU 65 1HD2 LEU 65 1.775 -7.586 -3.043 460 HD23 LEU 65 2HD2 LEU 65 1.295 -6.005 -2.426 461 H GLU 66 H GLU 66 0.792 -8.146 -7.023 462 HA GLU 66 HA GLU 66 0.011 -10.889 -6.419 463 HB2 GLU 66 1HB GLU 66 0.531 -10.059 -9.270 464 HB3 GLU 66 2HB GLU 66 -0.049 -11.613 -8.689 465 HG2 GLU 66 1HG GLU 66 -2.043 -10.175 -7.780 466 HG3 GLU 66 2HG GLU 66 -1.512 -9.046 -9.025 467 H GLY 67 H GLY 67 1.690 -12.462 -7.019 468 HA2 GLY 67 1HA GLY 67 3.903 -13.078 -7.484 469 HA3 GLY 67 2HA GLY 67 4.326 -11.377 -7.612 470 H LEU 68 H LEU 68 2.598 -12.786 -4.899 471 HA LEU 68 HA LEU 68 4.869 -12.066 -3.180 472 HB2 LEU 68 1HB LEU 68 1.980 -12.536 -2.459 473 HB3 LEU 68 2HB LEU 68 3.251 -12.033 -1.348 474 HG LEU 68 HG LEU 68 2.726 -10.303 -3.703 475 HD11 LEU 68 1HD1 LEU 68 0.980 -9.161 -2.135 476 HD12 LEU 68 2HD1 LEU 68 0.796 -10.788 -1.481 477 HD13 LEU 68 3HD1 LEU 68 0.493 -10.487 -3.191 478 HD21 LEU 68 3HD2 LEU 68 3.160 -8.559 -1.987 479 HD22 LEU 68 1HD2 LEU 68 4.490 -9.699 -2.192 480 HD23 LEU 68 2HD2 LEU 68 3.412 -9.843 -0.803 481 H LYS 69 H LYS 69 4.491 -13.487 -0.962 482 HA LYS 69 HA LYS 69 5.035 -16.217 -1.847 483 HB2 LYS 69 1HB LYS 69 5.626 -14.661 0.649 484 HB3 LYS 69 2HB LYS 69 5.678 -16.419 0.675 485 HG2 LYS 69 1HG LYS 69 7.266 -16.225 -1.315 486 HG3 LYS 69 2HG LYS 69 7.396 -14.519 -0.881 487 HD2 LYS 69 1HD LYS 69 8.163 -15.131 1.349 488 HD3 LYS 69 2HD LYS 69 7.986 -16.842 0.955 489 HE2 LYS 69 1HE LYS 69 9.843 -14.901 -0.418 490 HE3 LYS 69 2HE LYS 69 10.318 -16.095 0.789 491 HZ1 LYS 69 3HZ LYS 69 9.245 -16.615 -1.927 492 HZ2 LYS 69 1HZ LYS 69 9.431 -17.818 -0.752 493 HZ3 LYS 69 2HZ LYS 69 10.785 -16.993 -1.339 494 H LYS 70 H LYS 70 3.875 -17.983 -1.216 495 HA LYS 70 HA LYS 70 1.239 -18.048 -0.929 496 HB2 LYS 70 1HB LYS 70 2.955 -19.991 -0.846 497 HB3 LYS 70 2HB LYS 70 2.832 -19.822 0.900 498 HG2 LYS 70 1HG LYS 70 0.706 -20.633 0.971 499 HG3 LYS 70 2HG LYS 70 0.313 -20.059 -0.651 500 HD2 LYS 70 1HD LYS 70 2.236 -22.316 -0.122 501 HD3 LYS 70 2HD LYS 70 0.508 -22.562 -0.390 502 HE2 LYS 70 1HE LYS 70 0.753 -21.365 -2.566 503 HE3 LYS 70 2HE LYS 70 2.495 -21.338 -2.299 504 HZ1 LYS 70 3HZ LYS 70 0.895 -23.426 -3.326 505 HZ2 LYS 70 1HZ LYS 70 1.681 -23.957 -1.926 506 HZ3 LYS 70 2HZ LYS 70 2.580 -23.336 -3.216 507 H PHE 71 H PHE 71 3.151 -18.375 2.059 508 HA PHE 71 HA PHE 71 1.220 -16.607 3.398 509 HB2 PHE 71 1HB PHE 71 0.736 -19.002 3.904 510 HB3 PHE 71 2HB PHE 71 2.351 -19.145 4.591 511 HD1 PHE 71 1HD PHE 71 2.932 -17.515 6.511 512 HD2 PHE 71 2HD PHE 71 -1.038 -18.390 5.250 513 HE1 PHE 71 1HE PHE 71 2.076 -16.752 8.688 514 HE2 PHE 71 2HE PHE 71 -1.900 -17.628 7.424 515 HZ PHE 71 HZ PHE 71 -0.343 -16.806 9.147 516 H THR 72 H THR 72 2.492 -14.848 3.650 517 HA THR 72 HA THR 72 4.729 -15.087 5.492 518 HB THR 72 HB THR 72 5.049 -13.908 2.728 519 HG1 THR 72 1HG THR 72 5.387 -16.285 3.306 520 HG21 THR 72 3HG2 THR 72 6.508 -13.419 5.251 521 HG22 THR 72 1HG2 THR 72 6.329 -12.393 3.828 522 HG23 THR 72 2HG2 THR 72 7.501 -13.712 3.824 523 H GLU 73 H GLU 73 4.624 -13.504 6.943 524 HA GLU 73 HA GLU 73 2.650 -11.528 6.918 525 HB2 GLU 73 1HB GLU 73 3.601 -12.236 9.003 526 HB3 GLU 73 2HB GLU 73 5.211 -11.742 8.500 527 HG2 GLU 73 1HG GLU 73 4.598 -9.430 8.586 528 HG3 GLU 73 2HG GLU 73 2.912 -9.844 8.893 529 H TYR 74 H TYR 74 2.560 -10.074 5.307 530 HA TYR 74 HA TYR 74 5.015 -8.677 4.517 531 HB2 TYR 74 1HB TYR 74 2.343 -9.060 3.194 532 HB3 TYR 74 2HB TYR 74 3.441 -7.791 2.665 533 HD1 TYR 74 2HD TYR 74 5.913 -8.616 2.189 534 HD2 TYR 74 1HD TYR 74 2.478 -11.126 2.169 535 HE1 TYR 74 2HE TYR 74 7.112 -10.236 0.779 536 HE2 TYR 74 1HE TYR 74 3.667 -12.754 0.761 537 HH TYR 74 HH TYR 74 7.077 -12.373 -0.007 538 H SER 75 H SER 75 5.239 -6.481 4.670 539 HA SER 75 HA SER 75 3.119 -5.061 6.146 540 HB2 SER 75 1HB SER 75 5.247 -5.476 7.427 541 HB3 SER 75 2HB SER 75 6.082 -4.457 6.254 542 HG SER 75 HG SER 75 4.155 -2.967 6.925 543 H LEU 76 H LEU 76 2.099 -3.696 4.845 544 HA LEU 76 HA LEU 76 3.636 -2.318 2.748 545 HB2 LEU 76 1HB LEU 76 0.645 -2.468 2.863 546 HB3 LEU 76 2HB LEU 76 1.682 -2.146 1.474 547 HG LEU 76 HG LEU 76 1.436 -4.817 2.855 548 HD11 LEU 76 1HD1 LEU 76 0.428 -5.110 0.336 549 HD12 LEU 76 2HD1 LEU 76 -0.176 -3.518 0.793 550 HD13 LEU 76 3HD1 LEU 76 -0.533 -4.920 1.802 551 HD21 LEU 76 3HD2 LEU 76 3.593 -4.424 1.746 552 HD22 LEU 76 1HD2 LEU 76 2.742 -4.043 0.249 553 HD23 LEU 76 2HD2 LEU 76 2.644 -5.668 0.930 554 H ARG 77 H ARG 77 3.118 -0.079 2.313 555 HA ARG 77 HA ARG 77 1.838 1.364 4.517 556 HB2 ARG 77 1HB ARG 77 4.289 1.297 4.945 557 HB3 ARG 77 2HB ARG 77 4.549 2.100 3.402 558 HG2 ARG 77 1HG ARG 77 3.657 4.107 4.149 559 HG3 ARG 77 2HG ARG 77 2.799 3.338 5.486 560 HD2 ARG 77 1HD ARG 77 4.595 4.424 6.511 561 HD3 ARG 77 2HD ARG 77 5.121 2.746 6.387 562 HE ARG 77 HE ARG 77 5.997 4.113 4.110 563 HH11 ARG 77 1HH1 ARG 77 6.565 4.046 7.545 564 HH12 ARG 77 2HH1 ARG 77 8.210 4.575 7.415 565 HH21 ARG 77 1HH2 ARG 77 8.161 4.809 3.926 566 HH22 ARG 77 2HH2 ARG 77 9.117 5.009 5.356 567 H PHE 78 H PHE 78 0.326 2.622 3.676 568 HA PHE 78 HA PHE 78 0.715 3.673 0.955 569 HB2 PHE 78 1HB PHE 78 -1.314 2.140 1.690 570 HB3 PHE 78 2HB PHE 78 -1.964 3.667 2.276 571 HD1 PHE 78 1HD PHE 78 -0.767 1.884 -0.723 572 HD2 PHE 78 2HD PHE 78 -2.851 5.271 0.792 573 HE1 PHE 78 1HE PHE 78 -1.542 2.419 -2.996 574 HE2 PHE 78 2HE PHE 78 -3.630 5.811 -1.478 575 HZ PHE 78 HZ PHE 78 -2.977 4.384 -3.376 576 H LEU 79 H LEU 79 0.306 5.837 0.511 577 HA LEU 79 HA LEU 79 -0.569 7.645 2.569 578 HB2 LEU 79 1HB LEU 79 1.434 8.938 2.753 579 HB3 LEU 79 2HB LEU 79 1.805 7.262 3.152 580 HG LEU 79 HG LEU 79 2.535 7.185 0.614 581 HD11 LEU 79 1HD1 LEU 79 3.581 9.295 -0.064 582 HD12 LEU 79 2HD1 LEU 79 2.878 10.090 1.344 583 HD13 LEU 79 3HD1 LEU 79 1.830 9.446 0.081 584 HD21 LEU 79 3HD2 LEU 79 4.166 8.399 2.841 585 HD22 LEU 79 1HD2 LEU 79 4.824 7.746 1.340 586 HD23 LEU 79 2HD2 LEU 79 3.993 6.682 2.476 587 H ALA 80 H ALA 80 -0.721 9.874 1.791 588 HA ALA 80 HA ALA 80 -1.236 9.919 -1.091 589 HB1 ALA 80 3HB ALA 80 -2.620 10.935 1.152 590 HB2 ALA 80 1HB ALA 80 -2.087 12.316 0.193 591 HB3 ALA 80 2HB ALA 80 -3.064 11.050 -0.551 592 H TYR 81 H TYR 81 -0.374 11.459 -2.460 593 HA TYR 81 HA TYR 81 1.508 13.410 -1.390 594 HB2 TYR 81 1HB TYR 81 3.361 12.690 -2.713 595 HB3 TYR 81 2HB TYR 81 2.776 11.277 -1.842 596 HD1 TYR 81 1HD TYR 81 2.407 13.002 -5.132 597 HD2 TYR 81 2HD TYR 81 2.389 9.314 -3.012 598 HE1 TYR 81 1HE TYR 81 2.197 11.787 -7.260 599 HE2 TYR 81 2HE TYR 81 2.180 8.088 -5.134 600 HH TYR 81 HH TYR 81 1.153 8.878 -7.621 601 H ASN 82 H ASN 82 1.477 15.268 -2.504 602 HA ASN 82 HA ASN 82 0.281 15.256 -5.194 603 HB2 ASN 82 1HB ASN 82 -1.044 17.142 -4.722 604 HB3 ASN 82 2HB ASN 82 -1.226 16.122 -3.298 605 HD21 ASN 82 1HD2 ASN 82 0.615 16.576 -1.633 606 HD22 ASN 82 2HD2 ASN 82 0.843 18.247 -1.259 607 H ARG 83 H ARG 83 0.596 17.747 -6.020 608 HA ARG 83 HA ARG 83 3.033 18.065 -7.026 609 HB2 ARG 83 1HB ARG 83 2.670 20.435 -7.204 610 HB3 ARG 83 2HB ARG 83 1.118 19.625 -7.374 611 HG2 ARG 83 1HG ARG 83 0.571 20.164 -5.061 612 HG3 ARG 83 2HG ARG 83 2.137 20.956 -4.872 613 HD2 ARG 83 1HD ARG 83 0.664 22.716 -5.294 614 HD3 ARG 83 2HD ARG 83 1.421 22.412 -6.857 615 HE ARG 83 HE ARG 83 -1.081 21.031 -6.399 616 HH11 ARG 83 1HH1 ARG 83 0.504 23.849 -7.690 617 HH12 ARG 83 2HH1 ARG 83 -0.798 24.253 -8.758 618 HH21 ARG 83 1HH2 ARG 83 -2.804 21.553 -7.801 619 HH22 ARG 83 2HH2 ARG 83 -2.680 22.947 -8.819 620 H TYR 84 H TYR 84 2.141 19.208 -3.783 621 HA TYR 84 HA TYR 84 4.633 20.304 -3.105 622 HB2 TYR 84 1HB TYR 84 2.541 19.088 -1.288 623 HB3 TYR 84 2HB TYR 84 3.862 20.129 -0.769 624 HD1 TYR 84 1HD TYR 84 3.929 22.351 -2.486 625 HD2 TYR 84 2HD TYR 84 0.512 20.167 -1.199 626 HE1 TYR 84 1HE TYR 84 2.524 24.333 -2.872 627 HE2 TYR 84 2HE TYR 84 -0.902 22.142 -1.582 628 HH TYR 84 HH TYR 84 -0.813 24.222 -3.012 629 H GLY 85 H GLY 85 3.259 17.139 -2.181 630 HA2 GLY 85 1HA GLY 85 5.270 15.453 -2.734 631 HA3 GLY 85 2HA GLY 85 5.864 16.233 -1.276 632 HA PRO 86 HA PRO 86 3.202 12.525 -0.199 633 HB2 PRO 86 1HB PRO 86 5.111 11.205 1.210 634 HB3 PRO 86 2HB PRO 86 4.891 11.003 -0.532 635 HG2 PRO 86 1HG PRO 86 6.878 12.687 0.944 636 HG3 PRO 86 2HG PRO 86 7.122 11.657 -0.478 637 HD2 PRO 86 1HD PRO 86 6.846 14.344 -0.657 638 HD3 PRO 86 2HD PRO 86 6.281 13.240 -1.926 639 H GLY 87 H GLY 87 1.887 13.238 1.370 640 HA2 GLY 87 1HA GLY 87 2.872 14.724 3.633 641 HA3 GLY 87 2HA GLY 87 1.203 14.264 3.331 642 H VAL 88 H VAL 88 0.664 13.434 5.287 643 HA VAL 88 HA VAL 88 2.345 11.780 6.850 644 HB VAL 88 HB VAL 88 -0.662 12.063 6.929 645 HG11 VAL 88 1HG1 VAL 88 0.187 11.411 9.458 646 HG12 VAL 88 2HG1 VAL 88 -0.560 10.304 8.305 647 HG13 VAL 88 3HG1 VAL 88 1.197 10.395 8.432 648 HG21 VAL 88 3HG2 VAL 88 1.559 13.708 7.916 649 HG22 VAL 88 1HG2 VAL 88 -0.117 14.143 7.583 650 HG23 VAL 88 2HG2 VAL 88 0.306 13.367 9.109 651 H SER 89 H SER 89 2.485 9.588 7.055 652 HA SER 89 HA SER 89 1.172 8.014 4.945 653 HB2 SER 89 1HB SER 89 3.002 6.427 5.160 654 HB3 SER 89 2HB SER 89 3.659 8.046 4.925 655 HG SER 89 HG SER 89 3.612 7.986 7.407 656 H THR 90 H THR 90 0.144 6.085 5.425 657 HA THR 90 HA THR 90 -1.091 5.932 7.983 658 HB THR 90 HB THR 90 -2.167 3.892 7.153 659 HG1 THR 90 1HG THR 90 -0.662 2.868 5.935 660 HG21 THR 90 3HG2 THR 90 -3.499 5.507 6.321 661 HG22 THR 90 1HG2 THR 90 -2.795 5.056 4.769 662 HG23 THR 90 2HG2 THR 90 -2.143 6.426 5.669 663 H ASP 91 H ASP 91 -1.168 3.804 9.204 664 HA ASP 91 HA ASP 91 1.456 3.182 10.106 665 HB2 ASP 91 1HB ASP 91 0.004 2.943 11.852 666 HB3 ASP 91 2HB ASP 91 -1.309 2.378 10.822 667 H ASP 92 H ASP 92 2.472 1.099 10.129 668 HA ASP 92 HA ASP 92 2.685 -0.114 7.639 669 HB2 ASP 92 1HB ASP 92 3.889 -1.939 8.843 670 HB3 ASP 92 2HB ASP 92 4.454 -0.325 9.266 671 H ILE 93 H ILE 93 1.004 -1.021 6.623 672 HA ILE 93 HA ILE 93 -1.056 -2.454 8.010 673 HB ILE 93 HB ILE 93 -0.509 -2.241 5.047 674 HG12 ILE 93 1HG1 ILE 93 -2.614 -0.792 6.650 675 HG13 ILE 93 2HG1 ILE 93 -1.017 -0.110 6.359 676 HG21 ILE 93 1HG2 ILE 93 -1.888 -4.064 5.130 677 HG22 ILE 93 2HG2 ILE 93 -2.660 -3.550 6.629 678 HG23 ILE 93 3HG2 ILE 93 -3.088 -2.772 5.105 679 HD11 ILE 93 3HD1 ILE 93 -2.217 0.839 4.667 680 HD12 ILE 93 1HD1 ILE 93 -1.602 -0.603 3.859 681 HD13 ILE 93 2HD1 ILE 93 -3.259 -0.570 4.465 682 H THR 94 H THR 94 -0.422 -4.317 8.947 683 HA THR 94 HA THR 94 1.321 -6.166 7.534 684 HB THR 94 HB THR 94 0.020 -6.585 10.227 685 HG1 THR 94 1HG THR 94 1.246 -4.909 10.734 686 HG21 THR 94 3HG2 THR 94 0.997 -8.570 9.115 687 HG22 THR 94 1HG2 THR 94 1.842 -8.137 10.601 688 HG23 THR 94 2HG2 THR 94 2.547 -7.733 9.035 689 H VAL 95 H VAL 95 0.431 -7.451 6.057 690 HA VAL 95 HA VAL 95 -2.111 -8.783 6.721 691 HB VAL 95 HB VAL 95 -1.293 -7.754 4.000 692 HG11 VAL 95 1HG1 VAL 95 -4.014 -8.784 4.433 693 HG12 VAL 95 2HG1 VAL 95 -2.940 -8.956 3.043 694 HG13 VAL 95 3HG1 VAL 95 -2.735 -9.997 4.452 695 HG21 VAL 95 3HG2 VAL 95 -3.850 -6.870 5.027 696 HG22 VAL 95 1HG2 VAL 95 -2.526 -6.417 6.100 697 HG23 VAL 95 2HG2 VAL 95 -2.497 -5.923 4.407 698 H VAL 96 H VAL 96 -1.513 -10.816 7.154 699 HA VAL 96 HA VAL 96 0.681 -12.095 5.797 700 HB VAL 96 HB VAL 96 -1.344 -13.279 7.702 701 HG11 VAL 96 1HG1 VAL 96 -0.435 -15.144 6.737 702 HG12 VAL 96 2HG1 VAL 96 1.095 -14.344 6.369 703 HG13 VAL 96 3HG1 VAL 96 0.741 -14.857 8.020 704 HG21 VAL 96 3HG2 VAL 96 0.970 -11.566 8.112 705 HG22 VAL 96 1HG2 VAL 96 -0.314 -12.022 9.233 706 HG23 VAL 96 2HG2 VAL 96 1.079 -13.081 9.008 707 H THR 97 H THR 97 0.476 -12.865 3.806 708 HA THR 97 HA THR 97 -1.836 -13.238 2.363 709 HB THR 97 HB THR 97 -0.440 -14.918 0.994 710 HG1 THR 97 1HG THR 97 1.568 -15.299 1.644 711 HG21 THR 97 3HG2 THR 97 -0.613 -12.726 0.163 712 HG22 THR 97 1HG2 THR 97 1.121 -13.033 0.243 713 HG23 THR 97 2HG2 THR 97 0.340 -12.057 1.487 714 H LEU 98 H LEU 98 -2.959 -15.144 1.662 715 HA LEU 98 HA LEU 98 -3.757 -16.827 3.763 716 HB2 LEU 98 1HB LEU 98 -4.098 -17.452 0.843 717 HB3 LEU 98 2HB LEU 98 -5.134 -17.929 2.186 718 HG LEU 98 HG LEU 98 -4.865 -15.195 0.951 719 HD11 LEU 98 1HD1 LEU 98 -6.300 -16.870 -0.191 720 HD12 LEU 98 2HD1 LEU 98 -7.182 -15.462 0.400 721 HD13 LEU 98 3HD1 LEU 98 -7.264 -16.988 1.281 722 HD21 LEU 98 3HD2 LEU 98 -5.462 -14.287 2.884 723 HD22 LEU 98 1HD2 LEU 98 -5.485 -15.874 3.654 724 HD23 LEU 98 2HD2 LEU 98 -6.937 -15.255 2.865 725 H SER 99 H SER 99 -3.893 -19.369 3.020 726 HA SER 99 HA SER 99 -1.167 -20.249 2.379 727 HB2 SER 99 1HB SER 99 -1.132 -20.343 4.747 728 HB3 SER 99 2HB SER 99 -2.772 -20.986 4.825 729 HG SER 99 HG SER 99 -0.754 -22.427 3.499 730 H ASP 100 H ASP 100 -1.489 -21.322 0.533 731 HA ASP 100 HA ASP 100 -3.793 -22.530 -0.373 732 HB2 ASP 100 1HB ASP 100 -1.593 -22.083 -1.622 733 HB3 ASP 100 2HB ASP 100 -1.063 -23.642 -0.995 734 H SER 101 H SER 101 -4.961 -24.116 0.462 735 HA SER 101 HA SER 101 -3.784 -26.624 1.190 736 HB2 SER 101 1HB SER 101 -4.340 -26.674 3.512 737 HB3 SER 101 2HB SER 101 -3.451 -25.173 3.247 738 HG SER 101 HG SER 101 -5.860 -25.460 4.278 739 H GLY 102 H GLY 102 -5.496 -28.178 1.985 740 HA2 GLY 102 1HA GLY 102 -8.089 -28.157 2.156 741 HA3 GLY 102 2HA GLY 102 -7.962 -27.648 0.479 742 HA PRO 103 HA PRO 103 -6.413 -32.248 0.866 743 HB2 PRO 103 1HB PRO 103 -7.405 -33.575 3.016 744 HB3 PRO 103 2HB PRO 103 -5.853 -32.730 3.042 745 HG2 PRO 103 1HG PRO 103 -8.518 -31.828 4.065 746 HG3 PRO 103 2HG PRO 103 -6.920 -31.672 4.817 747 HD2 PRO 103 1HD PRO 103 -8.122 -29.626 3.513 748 HD3 PRO 103 2HD PRO 103 -6.359 -29.836 3.541 749 H SER 104 H SER 104 -9.572 -31.129 1.862 750 HA SER 104 HA SER 104 -10.971 -33.455 0.913 751 HB2 SER 104 1HB SER 104 -11.935 -30.718 1.767 752 HB3 SER 104 2HB SER 104 -13.010 -32.035 1.298 753 HG SER 104 HG SER 104 -11.100 -32.171 3.394 754 H SER 105 H SER 105 -10.666 -33.811 -1.228 755 HA SER 105 HA SER 105 -11.839 -31.859 -3.054 756 HB2 SER 105 1HB SER 105 -9.109 -33.077 -3.535 757 HB3 SER 105 2HB SER 105 -9.968 -31.978 -4.614 758 HG SER 105 HG SER 105 -9.501 -30.330 -3.339 759 H GLY 106 H GLY 106 -13.218 -32.840 -4.376 760 HA2 GLY 106 1HA GLY 106 -13.390 -34.623 -6.120 761 HA3 GLY 106 2HA GLY 106 -12.840 -35.730 -4.870 Start of MODEL 10 1 H1 GLY 1 H GLY 1 6.772 30.473 9.357 2 HA2 GLY 1 1HA GLY 1 6.614 33.342 8.871 3 HA3 GLY 1 2HA GLY 1 8.003 32.515 8.180 4 H SER 2 H SER 2 7.085 33.319 6.143 5 HA SER 2 HA SER 2 4.670 32.783 5.028 6 HB2 SER 2 1HB SER 2 7.431 32.889 3.886 7 HB3 SER 2 2HB SER 2 6.110 32.356 2.846 8 HG SER 2 HG SER 2 5.683 34.656 4.351 9 H SER 3 H SER 3 3.532 31.060 4.379 10 HA SER 3 HA SER 3 4.839 28.427 4.549 11 HB2 SER 3 1HB SER 3 1.992 29.283 5.065 12 HB3 SER 3 2HB SER 3 2.440 27.592 4.842 13 HG SER 3 HG SER 3 3.420 27.584 6.733 14 H GLY 4 H GLY 4 4.671 26.987 2.884 15 HA2 GLY 4 1HA GLY 4 3.008 27.719 0.577 16 HA3 GLY 4 2HA GLY 4 4.733 27.494 0.330 17 H SER 5 H SER 5 5.492 25.493 -0.029 18 HA SER 5 HA SER 5 3.737 23.392 -0.629 19 HB2 SER 5 1HB SER 5 5.754 22.011 -0.870 20 HB3 SER 5 2HB SER 5 5.985 23.592 -1.616 21 HG SER 5 HG SER 5 6.960 22.704 0.894 22 H SER 6 H SER 6 2.965 21.699 0.503 23 HA SER 6 HA SER 6 4.086 20.965 3.066 24 HB2 SER 6 1HB SER 6 1.492 22.424 2.801 25 HB3 SER 6 2HB SER 6 1.622 21.155 4.018 26 HG SER 6 HG SER 6 2.495 23.644 4.170 27 H GLY 7 H GLY 7 3.309 18.951 3.853 28 HA2 GLY 7 1HA GLY 7 2.480 17.172 1.748 29 HA3 GLY 7 2HA GLY 7 2.849 16.727 3.408 30 HA PRO 8 HA PRO 8 -1.865 17.252 2.459 31 HB2 PRO 8 1HB PRO 8 -2.499 14.886 1.287 32 HB3 PRO 8 2HB PRO 8 -2.067 16.330 0.364 33 HG2 PRO 8 1HG PRO 8 -0.374 13.972 1.095 34 HG3 PRO 8 2HG PRO 8 -0.479 14.839 -0.448 35 HD2 PRO 8 1HD PRO 8 1.528 15.254 1.322 36 HD3 PRO 8 2HD PRO 8 0.903 16.539 0.269 37 H GLY 9 H GLY 9 -3.587 15.385 3.063 38 HA2 GLY 9 1HA GLY 9 -2.637 14.356 5.639 39 HA3 GLY 9 2HA GLY 9 -4.316 14.594 5.180 40 HA PRO 10 HA PRO 10 -2.860 10.098 4.641 41 HB2 PRO 10 1HB PRO 10 -4.135 9.021 6.782 42 HB3 PRO 10 2HB PRO 10 -2.479 9.634 6.859 43 HG2 PRO 10 1HG PRO 10 -5.029 10.953 7.707 44 HG3 PRO 10 2HG PRO 10 -3.462 10.910 8.536 45 HD2 PRO 10 1HD PRO 10 -4.290 13.049 7.098 46 HD3 PRO 10 2HD PRO 10 -2.580 12.589 7.227 47 H VAL 11 H VAL 11 -4.082 9.032 3.224 48 HA VAL 11 HA VAL 11 -6.614 9.695 2.418 49 HB VAL 11 HB VAL 11 -6.785 7.473 1.390 50 HG11 VAL 11 1HG1 VAL 11 -4.998 7.713 -0.106 51 HG12 VAL 11 2HG1 VAL 11 -5.270 9.341 0.519 52 HG13 VAL 11 3HG1 VAL 11 -3.931 8.370 1.135 53 HG21 VAL 11 3HG2 VAL 11 -4.413 6.858 3.139 54 HG22 VAL 11 1HG2 VAL 11 -5.970 6.032 3.088 55 HG23 VAL 11 2HG2 VAL 11 -4.850 5.889 1.733 56 H GLU 12 H GLU 12 -8.614 8.310 2.536 57 HA GLU 12 HA GLU 12 -9.039 7.421 5.314 58 HB2 GLU 12 1HB GLU 12 -11.118 8.548 3.433 59 HB3 GLU 12 2HB GLU 12 -11.333 8.160 5.134 60 HG2 GLU 12 1HG GLU 12 -9.331 9.896 5.369 61 HG3 GLU 12 2HG GLU 12 -10.033 10.492 3.866 62 H ASN 13 H ASN 13 -11.227 6.045 5.329 63 HA ASN 13 HA ASN 13 -11.797 3.821 5.044 64 HB2 ASN 13 1HB ASN 13 -12.300 5.208 2.421 65 HB3 ASN 13 2HB ASN 13 -12.767 3.529 2.669 66 HD21 ASN 13 1HD2 ASN 13 -14.158 6.276 2.407 67 HD22 ASN 13 2HD2 ASN 13 -15.352 6.223 3.654 68 H LEU 14 H LEU 14 -9.072 3.899 5.004 69 HA LEU 14 HA LEU 14 -8.168 2.462 2.635 70 HB2 LEU 14 1HB LEU 14 -6.610 4.062 3.296 71 HB3 LEU 14 2HB LEU 14 -6.806 3.681 5.005 72 HG LEU 14 HG LEU 14 -5.754 1.376 4.248 73 HD11 LEU 14 1HD1 LEU 14 -5.730 2.510 1.836 74 HD12 LEU 14 2HD1 LEU 14 -4.504 1.357 2.360 75 HD13 LEU 14 3HD1 LEU 14 -4.171 3.087 2.426 76 HD21 LEU 14 3HD2 LEU 14 -3.692 3.461 4.386 77 HD22 LEU 14 1HD2 LEU 14 -3.960 2.055 5.416 78 HD23 LEU 14 2HD2 LEU 14 -4.902 3.524 5.669 79 H GLN 15 H GLN 15 -7.853 0.324 2.547 80 HA GLN 15 HA GLN 15 -7.372 -1.257 4.897 81 HB2 GLN 15 1HB GLN 15 -10.035 -1.308 3.516 82 HB3 GLN 15 2HB GLN 15 -9.407 -2.761 4.281 83 HG2 GLN 15 1HG GLN 15 -9.068 -1.101 6.313 84 HG3 GLN 15 2HG GLN 15 -10.371 -0.237 5.497 85 HE21 GLN 15 1HE2 GLN 15 -11.976 -0.620 6.929 86 HE22 GLN 15 2HE2 GLN 15 -12.601 -2.190 7.287 87 H ALA 16 H ALA 16 -6.489 -3.245 4.426 88 HA ALA 16 HA ALA 16 -6.382 -4.059 1.609 89 HB1 ALA 16 3HB ALA 16 -4.176 -3.799 1.383 90 HB2 ALA 16 1HB ALA 16 -4.276 -2.764 2.808 91 HB3 ALA 16 2HB ALA 16 -3.846 -4.465 2.983 92 H VAL 17 H VAL 17 -6.702 -6.176 1.335 93 HA VAL 17 HA VAL 17 -5.968 -8.072 3.414 94 HB VAL 17 HB VAL 17 -8.249 -7.415 4.043 95 HG11 VAL 17 1HG1 VAL 17 -8.724 -7.882 1.173 96 HG12 VAL 17 2HG1 VAL 17 -9.980 -8.468 2.265 97 HG13 VAL 17 3HG1 VAL 17 -9.512 -6.767 2.289 98 HG21 VAL 17 3HG2 VAL 17 -8.348 -10.181 2.872 99 HG22 VAL 17 1HG2 VAL 17 -7.346 -9.782 4.267 100 HG23 VAL 17 2HG2 VAL 17 -9.097 -9.589 4.354 101 H SER 18 H SER 18 -5.763 -10.198 2.679 102 HA SER 18 HA SER 18 -5.556 -10.427 -0.227 103 HB2 SER 18 1HB SER 18 -3.585 -11.046 1.097 104 HB3 SER 18 2HB SER 18 -4.535 -12.251 1.965 105 HG SER 18 HG SER 18 -3.553 -12.292 -0.645 106 H THR 19 H THR 19 -6.727 -11.823 -1.437 107 HA THR 19 HA THR 19 -8.798 -13.380 -0.033 108 HB THR 19 HB THR 19 -10.320 -12.975 -1.739 109 HG1 THR 19 1HG THR 19 -9.563 -12.081 -3.810 110 HG21 THR 19 3HG2 THR 19 -10.104 -10.514 -2.327 111 HG22 THR 19 1HG2 THR 19 -8.571 -10.539 -1.456 112 HG23 THR 19 2HG2 THR 19 -10.074 -10.909 -0.609 113 H SER 20 H SER 20 -5.936 -13.773 -1.521 114 HA SER 20 HA SER 20 -6.577 -16.521 -2.272 115 HB2 SER 20 1HB SER 20 -5.894 -14.420 -4.158 116 HB3 SER 20 2HB SER 20 -4.733 -15.746 -4.220 117 HG SER 20 HG SER 20 -7.447 -16.391 -4.145 118 HA PRO 21 HA PRO 21 -2.768 -17.987 -0.668 119 HB2 PRO 21 1HB PRO 21 -1.655 -18.309 -3.417 120 HB3 PRO 21 2HB PRO 21 -1.739 -19.477 -2.093 121 HG2 PRO 21 1HG PRO 21 -3.426 -19.599 -4.171 122 HG3 PRO 21 2HG PRO 21 -3.942 -20.015 -2.527 123 HD2 PRO 21 1HD PRO 21 -4.562 -17.633 -4.160 124 HD3 PRO 21 2HD PRO 21 -5.514 -18.417 -2.883 125 H THR 22 H THR 22 -2.102 -16.022 -3.571 126 HA THR 22 HA THR 22 -0.229 -14.423 -1.968 127 HB THR 22 HB THR 22 1.429 -14.385 -3.684 128 HG1 THR 22 1HG THR 22 -0.633 -15.456 -5.227 129 HG21 THR 22 3HG2 THR 22 2.103 -16.725 -3.817 130 HG22 THR 22 1HG2 THR 22 0.476 -17.234 -3.368 131 HG23 THR 22 2HG2 THR 22 1.476 -16.355 -2.211 132 H SER 23 H SER 23 -1.710 -12.737 -1.846 133 HA SER 23 HA SER 23 -1.721 -10.939 -4.053 134 HB2 SER 23 1HB SER 23 -4.236 -10.836 -4.265 135 HB3 SER 23 2HB SER 23 -3.496 -12.295 -4.924 136 HG SER 23 HG SER 23 -4.028 -13.308 -2.886 137 H ILE 24 H ILE 24 -3.297 -9.032 -3.527 138 HA ILE 24 HA ILE 24 -3.908 -8.616 -0.759 139 HB ILE 24 HB ILE 24 -1.583 -7.110 -1.960 140 HG12 ILE 24 1HG1 ILE 24 -1.859 -9.054 0.329 141 HG13 ILE 24 2HG1 ILE 24 -0.811 -9.176 -1.080 142 HG21 ILE 24 1HG2 ILE 24 -3.062 -5.595 -0.748 143 HG22 ILE 24 2HG2 ILE 24 -3.003 -6.654 0.660 144 HG23 ILE 24 3HG2 ILE 24 -1.543 -5.826 0.118 145 HD11 ILE 24 3HD1 ILE 24 0.578 -8.624 0.730 146 HD12 ILE 24 1HD1 ILE 24 0.388 -7.138 -0.199 147 HD13 ILE 24 2HD1 ILE 24 -0.523 -7.368 1.295 148 H LEU 25 H LEU 25 -5.878 -7.801 -1.141 149 HA LEU 25 HA LEU 25 -6.316 -5.900 -3.289 150 HB2 LEU 25 1HB LEU 25 -7.906 -7.764 -2.682 151 HB3 LEU 25 2HB LEU 25 -8.298 -6.843 -1.231 152 HG LEU 25 HG LEU 25 -9.104 -4.996 -2.668 153 HD11 LEU 25 1HD1 LEU 25 -9.425 -5.336 -5.031 154 HD12 LEU 25 2HD1 LEU 25 -8.734 -6.955 -4.928 155 HD13 LEU 25 3HD1 LEU 25 -7.718 -5.543 -4.639 156 HD21 LEU 25 3HD2 LEU 25 -11.015 -6.527 -3.718 157 HD22 LEU 25 1HD2 LEU 25 -10.912 -6.187 -1.991 158 HD23 LEU 25 2HD2 LEU 25 -10.290 -7.710 -2.628 159 H ILE 26 H ILE 26 -5.570 -3.908 -2.860 160 HA ILE 26 HA ILE 26 -6.043 -2.746 -0.211 161 HB ILE 26 HB ILE 26 -4.431 -1.514 -2.437 162 HG12 ILE 26 1HG1 ILE 26 -3.139 -2.982 -0.179 163 HG13 ILE 26 2HG1 ILE 26 -3.757 -3.911 -1.541 164 HG21 ILE 26 1HG2 ILE 26 -4.803 0.137 -0.872 165 HG22 ILE 26 2HG2 ILE 26 -4.803 -0.997 0.479 166 HG23 ILE 26 3HG2 ILE 26 -3.284 -0.556 -0.302 167 HD11 ILE 26 3HD1 ILE 26 -1.885 -3.489 -2.629 168 HD12 ILE 26 1HD1 ILE 26 -2.285 -1.771 -2.619 169 HD13 ILE 26 2HD1 ILE 26 -1.320 -2.460 -1.313 170 H THR 27 H THR 27 -7.874 -1.657 0.017 171 HA THR 27 HA THR 27 -8.895 -0.113 -2.277 172 HB THR 27 HB THR 27 -11.125 -0.263 -1.221 173 HG1 THR 27 1HG THR 27 -9.635 -1.656 0.723 174 HG21 THR 27 3HG2 THR 27 -9.829 -2.187 -2.677 175 HG22 THR 27 1HG2 THR 27 -11.551 -2.190 -2.299 176 HG23 THR 27 2HG2 THR 27 -10.426 -3.106 -1.296 177 H TRP 28 H TRP 28 -7.987 1.865 -1.948 178 HA TRP 28 HA TRP 28 -8.428 3.135 0.671 179 HB2 TRP 28 1HB TRP 28 -6.592 4.626 0.146 180 HB3 TRP 28 2HB TRP 28 -6.064 2.960 -0.076 181 HD1 TRP 28 HD TRP 28 -6.289 6.228 -1.857 182 HE1 TRP 28 1HE TRP 28 -5.523 5.957 -4.300 183 HE3 TRP 28 3HE TRP 28 -6.179 1.124 -2.110 184 HZ2 TRP 28 2HZ TRP 28 -4.950 3.856 -6.096 185 HZ3 TRP 28 3HZ TRP 28 -5.512 0.062 -4.227 186 HH2 TRP 28 HH TRP 28 -4.911 1.401 -6.178 187 H GLU 29 H GLU 29 -8.816 5.523 0.576 188 HA GLU 29 HA GLU 29 -10.346 6.304 -1.809 189 HB2 GLU 29 1HB GLU 29 -11.257 6.199 1.029 190 HB3 GLU 29 2HB GLU 29 -11.839 7.515 0.019 191 HG2 GLU 29 1HG GLU 29 -13.392 5.636 0.056 192 HG3 GLU 29 2HG GLU 29 -12.763 5.935 -1.563 193 HA PRO 30 HA PRO 30 -8.319 10.187 -1.584 194 HB2 PRO 30 1HB PRO 30 -10.283 11.919 -2.301 195 HB3 PRO 30 2HB PRO 30 -9.513 10.813 -3.445 196 HG2 PRO 30 1HG PRO 30 -12.131 10.542 -2.017 197 HG3 PRO 30 2HG PRO 30 -11.737 10.187 -3.710 198 HD2 PRO 30 1HD PRO 30 -11.926 8.255 -1.821 199 HD3 PRO 30 2HD PRO 30 -10.808 8.141 -3.195 200 HA PRO 31 HA PRO 31 -9.146 11.675 2.528 201 HB2 PRO 31 1HB PRO 31 -7.182 13.549 2.574 202 HB3 PRO 31 2HB PRO 31 -6.865 11.820 2.762 203 HG2 PRO 31 1HG PRO 31 -6.594 13.543 0.328 204 HG3 PRO 31 2HG PRO 31 -5.500 12.288 0.939 205 HD2 PRO 31 1HD PRO 31 -7.234 11.846 -1.093 206 HD3 PRO 31 2HD PRO 31 -6.768 10.577 0.057 207 H ALA 32 H ALA 32 -10.213 13.388 3.451 208 HA ALA 32 HA ALA 32 -11.260 15.389 1.599 209 HB1 ALA 32 3HB ALA 32 -13.128 14.802 2.675 210 HB2 ALA 32 1HB ALA 32 -12.236 14.074 4.011 211 HB3 ALA 32 2HB ALA 32 -12.533 15.812 3.992 212 H TYR 33 H TYR 33 -9.550 15.168 4.690 213 HA TYR 33 HA TYR 33 -9.229 18.063 4.779 214 HB2 TYR 33 1HB TYR 33 -8.005 17.494 6.956 215 HB3 TYR 33 2HB TYR 33 -9.734 17.168 6.901 216 HD1 TYR 33 1HD TYR 33 -10.513 14.801 6.530 217 HD2 TYR 33 2HD TYR 33 -6.453 15.762 7.365 218 HE1 TYR 33 1HE TYR 33 -10.098 12.464 7.175 219 HE2 TYR 33 2HE TYR 33 -6.027 13.428 8.011 220 HH TYR 33 HH TYR 33 -7.284 11.065 7.310 221 H ALA 34 H ALA 34 -7.978 16.947 2.592 222 HA ALA 34 HA ALA 34 -5.138 16.768 3.285 223 HB1 ALA 34 3HB ALA 34 -4.783 15.928 1.064 224 HB2 ALA 34 1HB ALA 34 -6.135 15.056 1.789 225 HB3 ALA 34 2HB ALA 34 -6.438 16.326 0.602 226 H ASN 35 H ASN 35 -3.568 18.016 2.089 227 HA ASN 35 HA ASN 35 -4.428 20.751 1.745 228 HB2 ASN 35 1HB ASN 35 -2.317 20.204 2.914 229 HB3 ASN 35 2HB ASN 35 -1.677 19.532 1.417 230 HD21 ASN 35 1HD2 ASN 35 -0.174 21.380 2.456 231 HD22 ASN 35 2HD2 ASN 35 -0.325 22.896 1.641 232 H GLY 36 H GLY 36 -5.581 20.983 -0.119 233 HA2 GLY 36 1HA GLY 36 -5.794 21.445 -2.372 234 HA3 GLY 36 2HA GLY 36 -4.098 21.032 -2.574 235 HA PRO 37 HA PRO 37 -6.553 17.762 -4.707 236 HB2 PRO 37 1HB PRO 37 -4.890 17.602 -6.847 237 HB3 PRO 37 2HB PRO 37 -6.205 18.778 -6.738 238 HG2 PRO 37 1HG PRO 37 -3.284 19.148 -6.200 239 HG3 PRO 37 2HG PRO 37 -4.405 20.212 -7.069 240 HD2 PRO 37 1HD PRO 37 -3.663 20.661 -4.504 241 HD3 PRO 37 2HD PRO 37 -5.267 21.100 -5.125 242 H VAL 38 H VAL 38 -5.479 15.722 -5.855 243 HA VAL 38 HA VAL 38 -3.152 14.843 -4.290 244 HB VAL 38 HB VAL 38 -5.706 13.270 -4.650 245 HG11 VAL 38 1HG1 VAL 38 -3.029 12.358 -4.356 246 HG12 VAL 38 2HG1 VAL 38 -3.903 12.009 -2.863 247 HG13 VAL 38 3HG1 VAL 38 -4.517 11.413 -4.406 248 HG21 VAL 38 3HG2 VAL 38 -5.265 13.275 -2.012 249 HG22 VAL 38 1HG2 VAL 38 -4.518 14.818 -2.426 250 HG23 VAL 38 2HG2 VAL 38 -6.210 14.522 -2.826 251 H GLN 39 H GLN 39 -1.775 14.891 -6.030 252 HA GLN 39 HA GLN 39 -2.160 14.239 -8.633 253 HB2 GLN 39 1HB GLN 39 0.227 13.636 -6.890 254 HB3 GLN 39 2HB GLN 39 0.238 13.429 -8.636 255 HG2 GLN 39 1HG GLN 39 -0.438 16.041 -7.320 256 HG3 GLN 39 2HG GLN 39 1.210 15.579 -7.741 257 HE21 GLN 39 1HE2 GLN 39 1.822 16.592 -9.503 258 HE22 GLN 39 2HE2 GLN 39 0.865 16.849 -10.918 259 H GLY 40 H GLY 40 -1.449 11.938 -6.019 260 HA2 GLY 40 1HA GLY 40 -3.027 9.884 -7.113 261 HA3 GLY 40 2HA GLY 40 -1.358 9.620 -7.596 262 H TYR 41 H TYR 41 -0.958 7.805 -6.407 263 HA TYR 41 HA TYR 41 -0.629 8.217 -3.544 264 HB2 TYR 41 1HB TYR 41 -2.120 5.797 -4.566 265 HB3 TYR 41 2HB TYR 41 -1.840 6.253 -2.889 266 HD1 TYR 41 1HD TYR 41 -3.712 7.109 -5.954 267 HD2 TYR 41 2HD TYR 41 -3.264 7.811 -1.782 268 HE1 TYR 41 1HE TYR 41 -5.852 8.320 -5.935 269 HE2 TYR 41 2HE TYR 41 -5.404 9.022 -1.750 270 HH TYR 41 HH TYR 41 -6.846 10.272 -4.261 271 H ARG 42 H ARG 42 0.948 6.920 -2.613 272 HA ARG 42 HA ARG 42 2.490 5.265 -4.503 273 HB2 ARG 42 1HB ARG 42 3.417 7.543 -3.480 274 HB3 ARG 42 2HB ARG 42 3.820 6.485 -2.134 275 HG2 ARG 42 1HG ARG 42 5.173 5.100 -3.558 276 HG3 ARG 42 2HG ARG 42 4.671 6.013 -4.982 277 HD2 ARG 42 1HD ARG 42 5.628 8.042 -3.604 278 HD3 ARG 42 2HD ARG 42 6.545 6.772 -2.795 279 HE ARG 42 HE ARG 42 6.877 6.329 -5.490 280 HH11 ARG 42 1HH1 ARG 42 7.523 8.921 -3.257 281 HH12 ARG 42 2HH1 ARG 42 8.891 9.515 -4.139 282 HH21 ARG 42 1HH2 ARG 42 8.676 7.101 -6.660 283 HH22 ARG 42 2HH2 ARG 42 9.545 8.480 -6.075 284 H LEU 43 H LEU 43 2.758 3.198 -3.970 285 HA LEU 43 HA LEU 43 2.080 2.374 -1.229 286 HB2 LEU 43 1HB LEU 43 0.601 1.383 -2.799 287 HB3 LEU 43 2HB LEU 43 1.932 0.923 -3.859 288 HG LEU 43 HG LEU 43 2.682 -0.621 -1.971 289 HD11 LEU 43 1HD1 LEU 43 0.668 0.667 -0.585 290 HD12 LEU 43 2HD1 LEU 43 1.495 -0.813 -0.100 291 HD13 LEU 43 3HD1 LEU 43 -0.029 -0.903 -0.983 292 HD21 LEU 43 3HD2 LEU 43 1.460 -2.376 -2.860 293 HD22 LEU 43 1HD2 LEU 43 1.377 -1.168 -4.142 294 HD23 LEU 43 2HD2 LEU 43 0.004 -1.398 -3.058 295 H PHE 44 H PHE 44 3.436 1.058 -0.067 296 HA PHE 44 HA PHE 44 6.051 0.463 -1.286 297 HB2 PHE 44 1HB PHE 44 5.555 1.330 1.570 298 HB3 PHE 44 2HB PHE 44 7.120 0.947 0.860 299 HD1 PHE 44 1HD PHE 44 4.348 3.361 0.893 300 HD2 PHE 44 2HD PHE 44 8.282 2.519 -0.498 301 HE1 PHE 44 1HE PHE 44 4.606 5.711 0.211 302 HE2 PHE 44 2HE PHE 44 8.546 4.868 -1.181 303 HZ PHE 44 HZ PHE 44 6.708 6.467 -0.826 304 H CYS 45 H CYS 45 6.325 -1.655 -1.436 305 HA CYS 45 HA CYS 45 5.063 -3.395 0.570 306 HB2 CYS 45 1HB CYS 45 4.303 -3.901 -1.656 307 HB3 CYS 45 2HB CYS 45 5.954 -3.946 -2.264 308 HG CYS 45 HG CYS 45 5.838 -6.129 0.121 309 H THR 46 H THR 46 6.347 -4.228 2.061 310 HA THR 46 HA THR 46 9.153 -4.790 1.358 311 HB THR 46 HB THR 46 8.219 -3.832 4.068 312 HG1 THR 46 1HG THR 46 9.883 -2.176 2.661 313 HG21 THR 46 3HG2 THR 46 10.217 -5.190 4.187 314 HG22 THR 46 1HG2 THR 46 10.649 -3.500 4.444 315 HG23 THR 46 2HG2 THR 46 10.964 -4.264 2.886 316 H GLU 47 H GLU 47 9.953 -6.734 1.973 317 HA GLU 47 HA GLU 47 8.058 -8.630 3.118 318 HB2 GLU 47 1HB GLU 47 9.422 -9.098 1.021 319 HB3 GLU 47 2HB GLU 47 10.823 -9.230 2.074 320 HG2 GLU 47 1HG GLU 47 9.988 -11.141 3.135 321 HG3 GLU 47 2HG GLU 47 8.359 -10.876 2.518 322 H VAL 48 H VAL 48 8.078 -9.105 5.204 323 HA VAL 48 HA VAL 48 10.056 -8.121 6.986 324 HB VAL 48 HB VAL 48 7.929 -10.205 7.499 325 HG11 VAL 48 1HG1 VAL 48 8.263 -9.053 9.868 326 HG12 VAL 48 2HG1 VAL 48 9.232 -10.435 9.353 327 HG13 VAL 48 3HG1 VAL 48 9.887 -8.802 9.231 328 HG21 VAL 48 3HG2 VAL 48 7.213 -7.899 6.644 329 HG22 VAL 48 1HG2 VAL 48 6.474 -8.485 8.134 330 HG23 VAL 48 2HG2 VAL 48 7.769 -7.291 8.203 331 H SER 49 H SER 49 9.593 -11.150 5.327 332 HA SER 49 HA SER 49 11.272 -12.760 6.928 333 HB2 SER 49 1HB SER 49 9.703 -13.757 5.356 334 HB3 SER 49 2HB SER 49 10.544 -13.008 3.999 335 HG SER 49 HG SER 49 12.378 -14.268 4.555 336 H THR 50 H THR 50 11.891 -10.903 3.966 337 HA THR 50 HA THR 50 14.763 -11.405 4.272 338 HB THR 50 HB THR 50 14.813 -10.154 1.993 339 HG1 THR 50 1HG THR 50 12.789 -9.418 1.709 340 HG21 THR 50 3HG2 THR 50 15.310 -12.517 2.208 341 HG22 THR 50 1HG2 THR 50 14.287 -12.256 0.795 342 HG23 THR 50 2HG2 THR 50 13.590 -12.901 2.282 343 H GLY 51 H GLY 51 12.571 -8.669 3.590 344 HA2 GLY 51 1HA GLY 51 12.749 -6.693 5.032 345 HA3 GLY 51 2HA GLY 51 14.489 -6.938 5.023 346 H LYS 52 H LYS 52 13.235 -7.595 1.996 347 HA LYS 52 HA LYS 52 14.428 -5.231 0.884 348 HB2 LYS 52 1HB LYS 52 13.052 -7.638 -0.279 349 HB3 LYS 52 2HB LYS 52 13.472 -6.260 -1.289 350 HG2 LYS 52 1HG LYS 52 15.245 -7.763 -1.538 351 HG3 LYS 52 2HG LYS 52 15.843 -6.539 -0.415 352 HD2 LYS 52 1HD LYS 52 15.059 -8.119 1.439 353 HD3 LYS 52 2HD LYS 52 14.938 -9.344 0.173 354 HE2 LYS 52 1HE LYS 52 17.199 -9.466 -0.114 355 HE3 LYS 52 2HE LYS 52 17.459 -7.786 0.355 356 HZ1 LYS 52 3HZ LYS 52 17.845 -8.389 2.443 357 HZ2 LYS 52 1HZ LYS 52 17.894 -9.994 1.911 358 HZ3 LYS 52 2HZ LYS 52 16.454 -9.349 2.519 359 H GLU 53 H GLU 53 13.451 -3.465 0.025 360 HA GLU 53 HA GLU 53 10.525 -3.303 0.331 361 HB2 GLU 53 1HB GLU 53 11.657 -1.778 1.829 362 HB3 GLU 53 2HB GLU 53 12.623 -1.136 0.508 363 HG2 GLU 53 1HG GLU 53 10.608 -0.230 -0.530 364 HG3 GLU 53 2HG GLU 53 9.638 -0.874 0.793 365 H GLN 54 H GLN 54 9.288 -2.650 -1.355 366 HA GLN 54 HA GLN 54 10.639 -1.752 -3.802 367 HB2 GLN 54 1HB GLN 54 9.389 -3.253 -5.178 368 HB3 GLN 54 2HB GLN 54 10.138 -4.208 -3.905 369 HG2 GLN 54 1HG GLN 54 7.937 -4.019 -2.665 370 HG3 GLN 54 2HG GLN 54 7.262 -3.399 -4.171 371 HE21 GLN 54 1HE2 GLN 54 5.935 -5.413 -3.639 372 HE22 GLN 54 2HE2 GLN 54 6.465 -6.882 -4.377 373 H ASN 55 H ASN 55 9.838 0.153 -4.358 374 HA ASN 55 HA ASN 55 7.232 0.991 -3.402 375 HB2 ASN 55 1HB ASN 55 8.006 3.110 -4.806 376 HB3 ASN 55 2HB ASN 55 8.655 2.782 -3.203 377 HD21 ASN 55 1HD2 ASN 55 10.740 1.861 -3.026 378 HD22 ASN 55 2HD2 ASN 55 11.891 2.026 -4.304 379 H ILE 56 H ILE 56 5.417 1.105 -4.575 380 HA ILE 56 HA ILE 56 5.616 0.749 -7.492 381 HB ILE 56 HB ILE 56 3.552 -0.528 -5.694 382 HG12 ILE 56 1HG1 ILE 56 5.655 -1.884 -7.384 383 HG13 ILE 56 2HG1 ILE 56 5.884 -1.523 -5.677 384 HG21 ILE 56 1HG2 ILE 56 2.346 -1.081 -7.504 385 HG22 ILE 56 2HG2 ILE 56 3.192 0.264 -8.266 386 HG23 ILE 56 3HG2 ILE 56 3.777 -1.384 -8.489 387 HD11 ILE 56 3HD1 ILE 56 3.987 -3.450 -6.953 388 HD12 ILE 56 1HD1 ILE 56 5.197 -3.738 -5.703 389 HD13 ILE 56 2HD1 ILE 56 3.723 -2.851 -5.316 390 H GLU 57 H GLU 57 4.373 2.062 -8.710 391 HA GLU 57 HA GLU 57 2.691 3.999 -7.282 392 HB2 GLU 57 1HB GLU 57 4.352 4.106 -9.741 393 HB3 GLU 57 2HB GLU 57 2.877 5.063 -9.738 394 HG2 GLU 57 1HG GLU 57 3.776 5.881 -7.420 395 HG3 GLU 57 2HG GLU 57 5.324 5.345 -8.070 396 H VAL 58 H VAL 58 0.595 3.557 -7.285 397 HA VAL 58 HA VAL 58 -0.577 2.302 -9.682 398 HB VAL 58 HB VAL 58 -2.299 1.338 -8.273 399 HG11 VAL 58 1HG1 VAL 58 -0.763 -0.085 -6.766 400 HG12 VAL 58 2HG1 VAL 58 -0.520 -0.142 -8.513 401 HG13 VAL 58 3HG1 VAL 58 0.552 0.830 -7.504 402 HG21 VAL 58 3HG2 VAL 58 -1.670 3.355 -6.502 403 HG22 VAL 58 1HG2 VAL 58 -2.758 2.002 -6.191 404 HG23 VAL 58 2HG2 VAL 58 -1.067 1.905 -5.698 405 H ASP 59 H ASP 59 -3.067 2.741 -9.709 406 HA ASP 59 HA ASP 59 -3.624 5.525 -8.970 407 HB2 ASP 59 1HB ASP 59 -4.732 5.801 -11.236 408 HB3 ASP 59 2HB ASP 59 -2.971 5.748 -11.246 409 H GLY 60 H GLY 60 -6.026 6.029 -9.427 410 HA2 GLY 60 1HA GLY 60 -8.267 5.489 -9.212 411 HA3 GLY 60 2HA GLY 60 -7.835 3.792 -9.364 412 H LEU 61 H LEU 61 -9.249 3.215 -7.684 413 HA LEU 61 HA LEU 61 -8.183 3.806 -5.012 414 HB2 LEU 61 1HB LEU 61 -11.114 3.674 -5.700 415 HB3 LEU 61 2HB LEU 61 -10.423 3.969 -4.105 416 HG LEU 61 HG LEU 61 -10.167 5.820 -6.475 417 HD11 LEU 61 1HD1 LEU 61 -12.130 5.638 -4.246 418 HD12 LEU 61 2HD1 LEU 61 -12.372 6.091 -5.933 419 HD13 LEU 61 3HD1 LEU 61 -11.629 7.232 -4.812 420 HD21 LEU 61 3HD2 LEU 61 -8.401 5.708 -4.537 421 HD22 LEU 61 1HD2 LEU 61 -9.641 6.590 -3.645 422 HD23 LEU 61 2HD2 LEU 61 -8.984 7.261 -5.139 423 H SER 62 H SER 62 -7.697 1.540 -6.672 424 HA SER 62 HA SER 62 -8.175 -0.540 -4.836 425 HB2 SER 62 1HB SER 62 -9.791 -1.892 -5.948 426 HB3 SER 62 2HB SER 62 -10.483 -0.272 -5.872 427 HG SER 62 HG SER 62 -9.450 -1.670 -8.076 428 H TYR 63 H TYR 63 -6.473 -1.818 -5.061 429 HA TYR 63 HA TYR 63 -5.518 -2.504 -7.738 430 HB2 TYR 63 1HB TYR 63 -4.186 -0.556 -6.976 431 HB3 TYR 63 2HB TYR 63 -3.691 -1.473 -5.558 432 HD1 TYR 63 2HD TYR 63 -2.214 -3.451 -5.822 433 HD2 TYR 63 1HD TYR 63 -3.156 -0.907 -9.100 434 HE1 TYR 63 2HE TYR 63 -0.315 -4.378 -7.080 435 HE2 TYR 63 1HE TYR 63 -1.260 -1.827 -10.367 436 HH TYR 63 HH TYR 63 1.211 -3.340 -9.140 437 H LYS 64 H LYS 64 -5.274 -4.625 -7.880 438 HA LYS 64 HA LYS 64 -5.082 -6.208 -5.430 439 HB2 LYS 64 1HB LYS 64 -6.800 -6.692 -7.231 440 HB3 LYS 64 2HB LYS 64 -5.466 -7.222 -8.247 441 HG2 LYS 64 1HG LYS 64 -4.893 -8.932 -6.584 442 HG3 LYS 64 2HG LYS 64 -6.263 -8.415 -5.599 443 HD2 LYS 64 1HD LYS 64 -7.565 -8.825 -7.877 444 HD3 LYS 64 2HD LYS 64 -6.217 -9.930 -8.155 445 HE2 LYS 64 1HE LYS 64 -6.707 -10.934 -5.908 446 HE3 LYS 64 2HE LYS 64 -8.168 -9.949 -5.858 447 HZ1 LYS 64 3HZ LYS 64 -8.792 -12.058 -6.670 448 HZ2 LYS 64 1HZ LYS 64 -7.509 -12.114 -7.771 449 HZ3 LYS 64 2HZ LYS 64 -8.786 -11.033 -8.016 450 H LEU 65 H LEU 65 -3.083 -6.595 -4.738 451 HA LEU 65 HA LEU 65 -0.814 -6.596 -6.488 452 HB2 LEU 65 1HB LEU 65 -1.100 -6.044 -3.893 453 HB3 LEU 65 2HB LEU 65 -0.614 -7.733 -3.757 454 HG LEU 65 HG LEU 65 1.337 -6.909 -5.358 455 HD11 LEU 65 1HD1 LEU 65 1.887 -4.567 -4.146 456 HD12 LEU 65 2HD1 LEU 65 0.133 -4.448 -4.283 457 HD13 LEU 65 3HD1 LEU 65 1.114 -4.700 -5.726 458 HD21 LEU 65 3HD2 LEU 65 1.838 -7.951 -3.309 459 HD22 LEU 65 1HD2 LEU 65 1.119 -6.640 -2.372 460 HD23 LEU 65 2HD2 LEU 65 2.634 -6.378 -3.237 461 H GLU 66 H GLU 66 0.496 -8.319 -7.078 462 HA GLU 66 HA GLU 66 -0.347 -11.021 -6.375 463 HB2 GLU 66 1HB GLU 66 -0.074 -10.127 -9.250 464 HB3 GLU 66 2HB GLU 66 -0.443 -11.754 -8.697 465 HG2 GLU 66 1HG GLU 66 -2.245 -9.574 -7.822 466 HG3 GLU 66 2HG GLU 66 -2.315 -10.068 -9.513 467 H GLY 67 H GLY 67 1.234 -12.659 -6.970 468 HA2 GLY 67 1HA GLY 67 3.389 -13.358 -7.621 469 HA3 GLY 67 2HA GLY 67 3.872 -11.673 -7.752 470 H LEU 68 H LEU 68 2.193 -12.840 -4.936 471 HA LEU 68 HA LEU 68 4.594 -12.304 -3.347 472 HB2 LEU 68 1HB LEU 68 1.742 -12.680 -2.447 473 HB3 LEU 68 2HB LEU 68 3.096 -12.169 -1.441 474 HG LEU 68 HG LEU 68 2.459 -10.487 -3.797 475 HD11 LEU 68 1HD1 LEU 68 0.654 -10.831 -1.433 476 HD12 LEU 68 2HD1 LEU 68 0.242 -10.712 -3.144 477 HD13 LEU 68 3HD1 LEU 68 0.778 -9.280 -2.264 478 HD21 LEU 68 3HD2 LEU 68 4.151 -9.526 -2.621 479 HD22 LEU 68 1HD2 LEU 68 3.625 -10.215 -1.085 480 HD23 LEU 68 2HD2 LEU 68 2.789 -8.814 -1.755 481 H LYS 69 H LYS 69 4.340 -13.709 -1.132 482 HA LYS 69 HA LYS 69 4.705 -16.456 -2.036 483 HB2 LYS 69 1HB LYS 69 5.397 -15.008 0.515 484 HB3 LYS 69 2HB LYS 69 5.542 -16.754 0.361 485 HG2 LYS 69 1HG LYS 69 7.037 -16.330 -1.628 486 HG3 LYS 69 2HG LYS 69 7.044 -14.632 -1.144 487 HD2 LYS 69 1HD LYS 69 7.765 -15.516 1.165 488 HD3 LYS 69 2HD LYS 69 8.145 -17.014 0.313 489 HE2 LYS 69 1HE LYS 69 9.512 -15.565 -1.277 490 HE3 LYS 69 2HE LYS 69 9.341 -14.284 -0.078 491 HZ1 LYS 69 3HZ LYS 69 11.096 -15.157 0.929 492 HZ2 LYS 69 1HZ LYS 69 11.098 -16.515 -0.079 493 HZ3 LYS 69 2HZ LYS 69 10.156 -16.506 1.326 494 H LYS 70 H LYS 70 3.529 -18.189 -1.324 495 HA LYS 70 HA LYS 70 0.906 -18.165 -0.925 496 HB2 LYS 70 1HB LYS 70 2.568 -20.160 -0.894 497 HB3 LYS 70 2HB LYS 70 2.514 -19.975 0.854 498 HG2 LYS 70 1HG LYS 70 0.354 -20.698 1.006 499 HG3 LYS 70 2HG LYS 70 -0.059 -20.156 -0.622 500 HD2 LYS 70 1HD LYS 70 1.823 -22.446 -0.097 501 HD3 LYS 70 2HD LYS 70 0.079 -22.664 -0.268 502 HE2 LYS 70 1HE LYS 70 0.202 -21.606 -2.495 503 HE3 LYS 70 2HE LYS 70 1.952 -21.485 -2.319 504 HZ1 LYS 70 3HZ LYS 70 0.901 -23.483 -3.573 505 HZ2 LYS 70 1HZ LYS 70 0.659 -24.105 -2.018 506 HZ3 LYS 70 2HZ LYS 70 2.222 -23.735 -2.547 507 H PHE 71 H PHE 71 2.925 -18.546 1.985 508 HA PHE 71 HA PHE 71 1.107 -16.708 3.390 509 HB2 PHE 71 1HB PHE 71 0.598 -19.088 3.944 510 HB3 PHE 71 2HB PHE 71 2.241 -19.258 4.556 511 HD1 PHE 71 1HD PHE 71 2.945 -17.633 6.434 512 HD2 PHE 71 2HD PHE 71 -1.099 -18.413 5.359 513 HE1 PHE 71 1HE PHE 71 2.208 -16.830 8.640 514 HE2 PHE 71 2HE PHE 71 -1.843 -17.611 7.563 515 HZ PHE 71 HZ PHE 71 -0.189 -16.817 9.207 516 H THR 72 H THR 72 2.417 -14.973 3.581 517 HA THR 72 HA THR 72 4.730 -15.238 5.317 518 HB THR 72 HB THR 72 4.958 -14.133 2.515 519 HG1 THR 72 1HG THR 72 5.611 -16.143 2.278 520 HG21 THR 72 3HG2 THR 72 6.430 -12.665 3.334 521 HG22 THR 72 1HG2 THR 72 7.465 -14.042 3.710 522 HG23 THR 72 2HG2 THR 72 6.374 -13.398 4.937 523 H GLU 73 H GLU 73 4.440 -13.746 6.828 524 HA GLU 73 HA GLU 73 2.616 -11.657 6.733 525 HB2 GLU 73 1HB GLU 73 3.563 -12.537 8.820 526 HB3 GLU 73 2HB GLU 73 5.128 -11.852 8.404 527 HG2 GLU 73 1HG GLU 73 4.328 -9.639 8.647 528 HG3 GLU 73 2HG GLU 73 2.654 -10.184 8.739 529 H TYR 74 H TYR 74 2.627 -10.084 5.261 530 HA TYR 74 HA TYR 74 5.185 -8.841 4.527 531 HB2 TYR 74 1HB TYR 74 2.538 -9.084 3.137 532 HB3 TYR 74 2HB TYR 74 3.652 -7.797 2.690 533 HD1 TYR 74 2HD TYR 74 6.094 -8.563 2.136 534 HD2 TYR 74 1HD TYR 74 2.715 -11.148 2.097 535 HE1 TYR 74 2HE TYR 74 7.310 -10.120 0.671 536 HE2 TYR 74 1HE TYR 74 3.922 -12.713 0.632 537 HH TYR 74 HH TYR 74 5.940 -13.244 -0.230 538 H SER 75 H SER 75 5.408 -6.578 4.499 539 HA SER 75 HA SER 75 3.440 -5.142 6.159 540 HB2 SER 75 1HB SER 75 5.382 -3.719 6.896 541 HB3 SER 75 2HB SER 75 5.466 -5.398 7.430 542 HG SER 75 HG SER 75 7.341 -5.413 6.499 543 H LEU 76 H LEU 76 2.339 -3.725 4.993 544 HA LEU 76 HA LEU 76 3.701 -2.367 2.762 545 HB2 LEU 76 1HB LEU 76 0.728 -2.616 3.108 546 HB3 LEU 76 2HB LEU 76 1.623 -2.164 1.659 547 HG LEU 76 HG LEU 76 1.742 -4.914 2.883 548 HD11 LEU 76 1HD1 LEU 76 0.237 -5.503 0.927 549 HD12 LEU 76 2HD1 LEU 76 -0.123 -3.780 0.819 550 HD13 LEU 76 3HD1 LEU 76 -0.519 -4.673 2.287 551 HD21 LEU 76 3HD2 LEU 76 3.084 -3.570 0.703 552 HD22 LEU 76 1HD2 LEU 76 2.209 -4.996 0.145 553 HD23 LEU 76 2HD2 LEU 76 3.410 -5.145 1.429 554 H ARG 77 H ARG 77 2.941 -0.140 2.314 555 HA ARG 77 HA ARG 77 1.815 1.293 4.582 556 HB2 ARG 77 1HB ARG 77 4.238 1.256 5.028 557 HB3 ARG 77 2HB ARG 77 4.534 1.974 3.451 558 HG2 ARG 77 1HG ARG 77 3.446 4.006 4.102 559 HG3 ARG 77 2HG ARG 77 2.925 3.287 5.627 560 HD2 ARG 77 1HD ARG 77 4.769 4.428 6.344 561 HD3 ARG 77 2HD ARG 77 5.514 2.886 5.924 562 HE ARG 77 HE ARG 77 5.656 4.383 3.637 563 HH11 ARG 77 1HH1 ARG 77 6.732 4.763 6.926 564 HH12 ARG 77 2HH1 ARG 77 8.109 5.725 6.502 565 HH21 ARG 77 1HH2 ARG 77 7.467 5.648 3.066 566 HH22 ARG 77 2HH2 ARG 77 8.526 6.228 4.306 567 H PHE 78 H PHE 78 0.397 2.728 3.855 568 HA PHE 78 HA PHE 78 0.667 3.677 1.081 569 HB2 PHE 78 1HB PHE 78 -1.405 2.294 1.990 570 HB3 PHE 78 2HB PHE 78 -1.919 3.879 2.560 571 HD1 PHE 78 1HD PHE 78 -0.855 2.039 -0.481 572 HD2 PHE 78 2HD PHE 78 -2.959 5.378 1.114 573 HE1 PHE 78 1HE PHE 78 -1.731 2.553 -2.722 574 HE2 PHE 78 2HE PHE 78 -3.839 5.896 -1.124 575 HZ PHE 78 HZ PHE 78 -3.227 4.483 -3.045 576 H LEU 79 H LEU 79 0.289 5.857 0.605 577 HA LEU 79 HA LEU 79 -0.279 7.749 2.697 578 HB2 LEU 79 1HB LEU 79 1.774 8.896 2.741 579 HB3 LEU 79 2HB LEU 79 2.164 7.190 2.948 580 HG LEU 79 HG LEU 79 2.557 7.296 0.349 581 HD11 LEU 79 1HD1 LEU 79 2.805 10.162 1.228 582 HD12 LEU 79 2HD1 LEU 79 1.846 9.507 -0.099 583 HD13 LEU 79 3HD1 LEU 79 3.606 9.519 -0.207 584 HD21 LEU 79 3HD2 LEU 79 4.554 8.517 2.247 585 HD22 LEU 79 1HD2 LEU 79 4.887 7.631 0.758 586 HD23 LEU 79 2HD2 LEU 79 4.209 6.789 2.152 587 H ALA 80 H ALA 80 -0.482 9.942 1.892 588 HA ALA 80 HA ALA 80 -1.174 9.966 -0.960 589 HB1 ALA 80 3HB ALA 80 -2.477 10.945 1.359 590 HB2 ALA 80 1HB ALA 80 -2.051 12.330 0.352 591 HB3 ALA 80 2HB ALA 80 -3.018 11.016 -0.318 592 H TYR 81 H TYR 81 -0.410 11.531 -2.354 593 HA TYR 81 HA TYR 81 1.442 13.545 -1.354 594 HB2 TYR 81 1HB TYR 81 3.269 12.886 -2.752 595 HB3 TYR 81 2HB TYR 81 2.775 11.466 -1.838 596 HD1 TYR 81 1HD TYR 81 2.142 13.123 -5.127 597 HD2 TYR 81 2HD TYR 81 2.480 9.471 -2.969 598 HE1 TYR 81 1HE TYR 81 1.893 11.866 -7.226 599 HE2 TYR 81 2HE TYR 81 2.232 8.204 -5.063 600 HH TYR 81 HH TYR 81 2.377 9.706 -8.148 601 H ASN 82 H ASN 82 1.370 15.390 -2.504 602 HA ASN 82 HA ASN 82 0.026 15.329 -5.124 603 HB2 ASN 82 1HB ASN 82 -1.205 17.307 -4.605 604 HB3 ASN 82 2HB ASN 82 -1.432 16.203 -3.252 605 HD21 ASN 82 1HD2 ASN 82 -0.092 16.547 -1.354 606 HD22 ASN 82 2HD2 ASN 82 0.385 18.157 -0.945 607 H ARG 83 H ARG 83 0.296 17.764 -6.055 608 HA ARG 83 HA ARG 83 2.702 18.062 -7.155 609 HB2 ARG 83 1HB ARG 83 2.304 20.454 -7.378 610 HB3 ARG 83 2HB ARG 83 0.804 19.564 -7.603 611 HG2 ARG 83 1HG ARG 83 0.340 20.052 -5.146 612 HG3 ARG 83 2HG ARG 83 1.657 21.221 -5.255 613 HD2 ARG 83 1HD ARG 83 -0.612 21.240 -7.216 614 HD3 ARG 83 2HD ARG 83 -0.750 22.041 -5.651 615 HE ARG 83 HE ARG 83 1.533 23.071 -6.595 616 HH11 ARG 83 1HH1 ARG 83 -1.598 22.657 -8.059 617 HH12 ARG 83 2HH1 ARG 83 -1.444 24.041 -9.089 618 HH21 ARG 83 1HH2 ARG 83 1.748 24.896 -7.945 619 HH22 ARG 83 2HH2 ARG 83 0.460 25.314 -9.024 620 H TYR 84 H TYR 84 1.882 19.197 -3.906 621 HA TYR 84 HA TYR 84 4.357 20.443 -3.363 622 HB2 TYR 84 1HB TYR 84 2.465 19.213 -1.353 623 HB3 TYR 84 2HB TYR 84 3.649 20.481 -1.056 624 HD1 TYR 84 1HD TYR 84 3.033 22.029 -3.658 625 HD2 TYR 84 2HD TYR 84 0.562 20.444 -0.578 626 HE1 TYR 84 1HE TYR 84 1.333 23.736 -4.152 627 HE2 TYR 84 2HE TYR 84 -1.145 22.146 -1.064 628 HH TYR 84 HH TYR 84 -1.347 24.311 -2.089 629 H GLY 85 H GLY 85 3.094 17.278 -2.295 630 HA2 GLY 85 1HA GLY 85 5.151 15.637 -2.833 631 HA3 GLY 85 2HA GLY 85 5.735 16.476 -1.404 632 HA PRO 86 HA PRO 86 3.246 12.717 -0.158 633 HB2 PRO 86 1HB PRO 86 5.198 11.588 1.354 634 HB3 PRO 86 2HB PRO 86 5.027 11.282 -0.379 635 HG2 PRO 86 1HG PRO 86 6.881 13.157 1.040 636 HG3 PRO 86 2HG PRO 86 7.215 12.068 -0.320 637 HD2 PRO 86 1HD PRO 86 6.787 14.722 -0.649 638 HD3 PRO 86 2HD PRO 86 6.313 13.520 -1.866 639 H GLY 87 H GLY 87 1.969 12.910 1.576 640 HA2 GLY 87 1HA GLY 87 2.780 14.746 3.708 641 HA3 GLY 87 2HA GLY 87 1.147 14.176 3.399 642 H VAL 88 H VAL 88 0.688 13.447 5.436 643 HA VAL 88 HA VAL 88 2.462 11.851 6.978 644 HB VAL 88 HB VAL 88 -0.529 12.194 7.230 645 HG11 VAL 88 1HG1 VAL 88 0.711 11.596 9.705 646 HG12 VAL 88 2HG1 VAL 88 -0.480 10.644 8.818 647 HG13 VAL 88 3HG1 VAL 88 1.242 10.389 8.534 648 HG21 VAL 88 3HG2 VAL 88 1.428 14.085 7.573 649 HG22 VAL 88 1HG2 VAL 88 -0.169 14.115 8.320 650 HG23 VAL 88 2HG2 VAL 88 1.207 13.459 9.207 651 H SER 89 H SER 89 2.769 9.709 7.029 652 HA SER 89 HA SER 89 1.331 8.079 5.083 653 HB2 SER 89 1HB SER 89 3.767 7.449 6.767 654 HB3 SER 89 2HB SER 89 3.084 6.394 5.530 655 HG SER 89 HG SER 89 3.824 7.685 3.989 656 H THR 90 H THR 90 0.601 5.913 5.677 657 HA THR 90 HA THR 90 -0.821 5.981 8.209 658 HB THR 90 HB THR 90 -1.932 3.911 7.367 659 HG1 THR 90 1HG THR 90 -1.177 2.947 5.638 660 HG21 THR 90 3HG2 THR 90 -3.007 6.013 6.940 661 HG22 THR 90 1HG2 THR 90 -3.128 5.036 5.478 662 HG23 THR 90 2HG2 THR 90 -1.942 6.337 5.573 663 H ASP 91 H ASP 91 -0.968 3.933 9.494 664 HA ASP 91 HA ASP 91 1.611 3.156 10.360 665 HB2 ASP 91 1HB ASP 91 0.492 1.770 11.960 666 HB3 ASP 91 2HB ASP 91 -0.462 3.241 11.786 667 H ASP 92 H ASP 92 2.713 1.220 10.159 668 HA ASP 92 HA ASP 92 2.770 -0.053 7.735 669 HB2 ASP 92 1HB ASP 92 3.607 -0.988 10.472 670 HB3 ASP 92 2HB ASP 92 3.854 -1.990 9.044 671 H ILE 93 H ILE 93 1.287 -1.200 6.702 672 HA ILE 93 HA ILE 93 -0.836 -2.528 8.171 673 HB ILE 93 HB ILE 93 -0.396 -2.313 5.191 674 HG12 ILE 93 1HG1 ILE 93 -2.360 -0.793 6.909 675 HG13 ILE 93 2HG1 ILE 93 -0.783 -0.154 6.455 676 HG21 ILE 93 1HG2 ILE 93 -3.062 -2.725 5.578 677 HG22 ILE 93 2HG2 ILE 93 -1.897 -3.975 5.147 678 HG23 ILE 93 3HG2 ILE 93 -2.353 -3.738 6.834 679 HD11 ILE 93 3HD1 ILE 93 -1.410 0.246 4.323 680 HD12 ILE 93 1HD1 ILE 93 -2.509 -1.132 4.267 681 HD13 ILE 93 2HD1 ILE 93 -2.998 0.354 5.082 682 H THR 94 H THR 94 -0.286 -4.440 9.023 683 HA THR 94 HA THR 94 1.424 -6.270 7.521 684 HB THR 94 HB THR 94 0.301 -6.704 10.288 685 HG1 THR 94 1HG THR 94 1.774 -4.736 9.769 686 HG21 THR 94 3HG2 THR 94 2.673 -7.942 10.268 687 HG22 THR 94 1HG2 THR 94 2.286 -8.058 8.552 688 HG23 THR 94 2HG2 THR 94 1.184 -8.733 9.752 689 H VAL 95 H VAL 95 0.451 -7.576 6.122 690 HA VAL 95 HA VAL 95 -2.043 -8.902 6.950 691 HB VAL 95 HB VAL 95 -1.444 -7.800 4.201 692 HG11 VAL 95 1HG1 VAL 95 -3.463 -9.751 5.186 693 HG12 VAL 95 2HG1 VAL 95 -3.945 -8.595 3.943 694 HG13 VAL 95 3HG1 VAL 95 -2.599 -9.696 3.650 695 HG21 VAL 95 3HG2 VAL 95 -2.353 -5.954 5.086 696 HG22 VAL 95 1HG2 VAL 95 -3.880 -6.833 5.001 697 HG23 VAL 95 2HG2 VAL 95 -2.953 -6.818 6.502 698 H VAL 96 H VAL 96 -1.418 -10.942 7.298 699 HA VAL 96 HA VAL 96 0.691 -12.197 5.814 700 HB VAL 96 HB VAL 96 -1.301 -13.530 7.649 701 HG11 VAL 96 1HG1 VAL 96 1.170 -14.367 6.276 702 HG12 VAL 96 2HG1 VAL 96 1.014 -14.867 7.961 703 HG13 VAL 96 3HG1 VAL 96 -0.224 -15.317 6.788 704 HG21 VAL 96 3HG2 VAL 96 0.780 -13.260 9.246 705 HG22 VAL 96 1HG2 VAL 96 1.094 -11.860 8.221 706 HG23 VAL 96 2HG2 VAL 96 -0.430 -11.986 9.099 707 H THR 97 H THR 97 0.467 -12.985 3.836 708 HA THR 97 HA THR 97 -1.875 -13.236 2.400 709 HB THR 97 HB THR 97 -0.554 -14.905 0.965 710 HG1 THR 97 1HG THR 97 1.448 -15.394 1.576 711 HG21 THR 97 3HG2 THR 97 -0.594 -12.705 0.186 712 HG22 THR 97 1HG2 THR 97 1.128 -13.054 0.326 713 HG23 THR 97 2HG2 THR 97 0.318 -12.098 1.567 714 H LEU 98 H LEU 98 -3.137 -15.029 1.742 715 HA LEU 98 HA LEU 98 -3.956 -16.742 3.781 716 HB2 LEU 98 1HB LEU 98 -4.294 -17.274 0.839 717 HB3 LEU 98 2HB LEU 98 -5.326 -17.824 2.157 718 HG LEU 98 HG LEU 98 -5.068 -15.024 1.074 719 HD11 LEU 98 1HD1 LEU 98 -6.484 -16.644 -0.172 720 HD12 LEU 98 2HD1 LEU 98 -7.376 -15.273 0.486 721 HD13 LEU 98 3HD1 LEU 98 -7.461 -16.844 1.283 722 HD21 LEU 98 3HD2 LEU 98 -5.654 -14.249 3.069 723 HD22 LEU 98 1HD2 LEU 98 -5.735 -15.884 3.725 724 HD23 LEU 98 2HD2 LEU 98 -7.152 -15.173 2.951 725 H SER 99 H SER 99 -4.164 -19.271 3.018 726 HA SER 99 HA SER 99 -1.469 -20.231 2.369 727 HB2 SER 99 1HB SER 99 -1.367 -20.381 4.708 728 HB3 SER 99 2HB SER 99 -3.062 -20.851 4.845 729 HG SER 99 HG SER 99 -1.310 -22.531 5.063 730 H ASP 100 H ASP 100 -1.855 -21.264 0.508 731 HA ASP 100 HA ASP 100 -4.247 -22.479 -0.263 732 HB2 ASP 100 1HB ASP 100 -2.257 -21.832 -1.726 733 HB3 ASP 100 2HB ASP 100 -1.527 -23.355 -1.228 734 H SER 101 H SER 101 -1.239 -24.118 0.742 735 HA SER 101 HA SER 101 -2.299 -26.688 0.891 736 HB2 SER 101 1HB SER 101 -0.079 -25.573 2.619 737 HB3 SER 101 2HB SER 101 -0.349 -27.267 2.209 738 HG SER 101 HG SER 101 1.204 -25.728 0.933 739 H GLY 102 H GLY 102 -3.268 -27.886 2.482 740 HA2 GLY 102 1HA GLY 102 -3.583 -27.902 5.031 741 HA3 GLY 102 2HA GLY 102 -4.323 -26.333 4.752 742 HA PRO 103 HA PRO 103 -7.244 -29.567 2.652 743 HB2 PRO 103 1HB PRO 103 -6.687 -32.185 3.104 744 HB3 PRO 103 2HB PRO 103 -6.035 -31.288 1.728 745 HG2 PRO 103 1HG PRO 103 -4.736 -31.953 4.341 746 HG3 PRO 103 2HG PRO 103 -4.058 -32.024 2.705 747 HD2 PRO 103 1HD PRO 103 -3.560 -29.972 4.400 748 HD3 PRO 103 2HD PRO 103 -3.648 -29.757 2.640 749 H SER 104 H SER 104 -8.905 -31.145 3.526 750 HA SER 104 HA SER 104 -9.576 -30.387 6.190 751 HB2 SER 104 1HB SER 104 -11.189 -30.892 4.267 752 HB3 SER 104 2HB SER 104 -10.901 -32.596 4.618 753 HG SER 104 HG SER 104 -12.247 -30.665 6.117 754 H SER 105 H SER 105 -10.404 -32.197 7.725 755 HA SER 105 HA SER 105 -8.139 -33.996 8.160 756 HB2 SER 105 1HB SER 105 -9.161 -34.282 10.440 757 HB3 SER 105 2HB SER 105 -8.687 -32.626 10.062 758 HG SER 105 HG SER 105 -10.750 -32.629 10.955 759 H GLY 106 H GLY 106 -11.702 -34.132 8.341 760 HA2 GLY 106 1HA GLY 106 -11.877 -36.545 6.871 761 HA3 GLY 106 2HA GLY 106 -11.948 -36.895 8.592 Start of MODEL 11 1 H1 GLY 1 H GLY 1 10.947 26.194 7.684 2 HA2 GLY 1 1HA GLY 1 8.307 27.184 7.404 3 HA3 GLY 1 2HA GLY 1 9.708 27.714 6.486 4 H SER 2 H SER 2 7.116 25.339 6.640 5 HA SER 2 HA SER 2 7.446 24.913 3.743 6 HB2 SER 2 1HB SER 2 6.589 22.631 4.045 7 HB3 SER 2 2HB SER 2 8.047 22.885 5.004 8 HG SER 2 HG SER 2 6.817 22.134 6.547 9 H SER 3 H SER 3 5.990 26.844 3.736 10 HA SER 3 HA SER 3 3.201 26.201 4.363 11 HB2 SER 3 1HB SER 3 3.794 28.318 5.243 12 HB3 SER 3 2HB SER 3 4.631 28.788 3.764 13 HG SER 3 HG SER 3 2.762 29.254 2.829 14 H GLY 4 H GLY 4 5.213 27.392 1.685 15 HA2 GLY 4 1HA GLY 4 3.217 27.552 -0.263 16 HA3 GLY 4 2HA GLY 4 4.923 27.284 -0.588 17 H SER 5 H SER 5 5.184 24.796 0.749 18 HA SER 5 HA SER 5 3.437 23.071 -0.881 19 HB2 SER 5 1HB SER 5 5.311 21.611 -1.351 20 HB3 SER 5 2HB SER 5 5.743 23.253 -1.827 21 HG SER 5 HG SER 5 7.410 22.950 -0.590 22 H SER 6 H SER 6 2.110 22.184 0.582 23 HA SER 6 HA SER 6 3.310 21.026 3.013 24 HB2 SER 6 1HB SER 6 0.700 22.389 2.516 25 HB3 SER 6 2HB SER 6 0.754 21.106 3.725 26 HG SER 6 HG SER 6 2.709 22.379 4.485 27 H GLY 7 H GLY 7 2.885 18.919 3.543 28 HA2 GLY 7 1HA GLY 7 2.144 17.173 1.410 29 HA3 GLY 7 2HA GLY 7 2.513 16.697 3.061 30 HA PRO 8 HA PRO 8 -2.207 16.908 2.031 31 HB2 PRO 8 1HB PRO 8 -2.642 14.533 0.791 32 HB3 PRO 8 2HB PRO 8 -2.298 16.027 -0.089 33 HG2 PRO 8 1HG PRO 8 -0.452 13.781 0.623 34 HG3 PRO 8 2HG PRO 8 -0.589 14.676 -0.901 35 HD2 PRO 8 1HD PRO 8 1.346 15.191 0.922 36 HD3 PRO 8 2HD PRO 8 0.650 16.454 -0.115 37 H GLY 9 H GLY 9 -3.736 15.842 3.303 38 HA2 GLY 9 1HA GLY 9 -2.762 14.508 5.592 39 HA3 GLY 9 2HA GLY 9 -4.453 14.665 5.139 40 HA PRO 10 HA PRO 10 -2.827 10.226 4.674 41 HB2 PRO 10 1HB PRO 10 -4.109 9.134 6.803 42 HB3 PRO 10 2HB PRO 10 -2.478 9.810 6.906 43 HG2 PRO 10 1HG PRO 10 -5.093 11.045 7.679 44 HG3 PRO 10 2HG PRO 10 -3.545 11.072 8.542 45 HD2 PRO 10 1HD PRO 10 -4.419 13.158 7.054 46 HD3 PRO 10 2HD PRO 10 -2.697 12.763 7.226 47 H VAL 11 H VAL 11 -3.980 9.203 3.173 48 HA VAL 11 HA VAL 11 -6.516 9.729 2.338 49 HB VAL 11 HB VAL 11 -6.567 7.568 1.249 50 HG11 VAL 11 1HG1 VAL 11 -4.352 7.620 0.125 51 HG12 VAL 11 2HG1 VAL 11 -5.121 9.205 0.243 52 HG13 VAL 11 3HG1 VAL 11 -3.806 8.777 1.339 53 HG21 VAL 11 3HG2 VAL 11 -4.267 6.230 1.924 54 HG22 VAL 11 1HG2 VAL 11 -4.844 6.822 3.482 55 HG23 VAL 11 2HG2 VAL 11 -5.891 5.822 2.476 56 H GLU 12 H GLU 12 -8.478 8.315 2.432 57 HA GLU 12 HA GLU 12 -8.902 7.336 5.180 58 HB2 GLU 12 1HB GLU 12 -11.407 7.910 4.425 59 HB3 GLU 12 2HB GLU 12 -10.356 9.082 5.206 60 HG2 GLU 12 1HG GLU 12 -10.074 10.307 3.316 61 HG3 GLU 12 2HG GLU 12 -10.252 8.912 2.252 62 H ASN 13 H ASN 13 -10.913 5.850 5.262 63 HA ASN 13 HA ASN 13 -11.581 3.701 4.838 64 HB2 ASN 13 1HB ASN 13 -12.011 5.170 2.249 65 HB3 ASN 13 2HB ASN 13 -12.466 3.477 2.412 66 HD21 ASN 13 1HD2 ASN 13 -13.636 6.492 2.532 67 HD22 ASN 13 2HD2 ASN 13 -14.964 6.268 3.615 68 H LEU 14 H LEU 14 -8.859 3.763 4.884 69 HA LEU 14 HA LEU 14 -7.932 2.315 2.517 70 HB2 LEU 14 1HB LEU 14 -6.440 4.021 3.153 71 HB3 LEU 14 2HB LEU 14 -6.533 3.577 4.856 72 HG LEU 14 HG LEU 14 -5.452 1.330 3.916 73 HD11 LEU 14 1HD1 LEU 14 -3.799 1.855 2.188 74 HD12 LEU 14 2HD1 LEU 14 -4.494 3.467 2.017 75 HD13 LEU 14 3HD1 LEU 14 -5.449 2.046 1.594 76 HD21 LEU 14 3HD2 LEU 14 -3.691 1.978 5.135 77 HD22 LEU 14 1HD2 LEU 14 -4.629 3.439 5.447 78 HD23 LEU 14 2HD2 LEU 14 -3.425 3.423 4.158 79 H GLN 15 H GLN 15 -7.993 0.176 2.502 80 HA GLN 15 HA GLN 15 -7.300 -1.321 4.895 81 HB2 GLN 15 1HB GLN 15 -10.004 -1.335 3.626 82 HB3 GLN 15 2HB GLN 15 -9.375 -2.838 4.287 83 HG2 GLN 15 1HG GLN 15 -9.276 -0.407 5.988 84 HG3 GLN 15 2HG GLN 15 -10.836 -1.187 5.727 85 HE21 GLN 15 1HE2 GLN 15 -8.728 -0.939 7.992 86 HE22 GLN 15 2HE2 GLN 15 -8.652 -2.547 8.617 87 H ALA 16 H ALA 16 -6.183 -3.130 4.437 88 HA ALA 16 HA ALA 16 -6.168 -4.059 1.639 89 HB1 ALA 16 3HB ALA 16 -4.073 -2.807 2.822 90 HB2 ALA 16 1HB ALA 16 -3.701 -4.496 3.168 91 HB3 ALA 16 2HB ALA 16 -3.928 -3.966 1.501 92 H VAL 17 H VAL 17 -6.401 -6.197 1.315 93 HA VAL 17 HA VAL 17 -5.821 -8.119 3.391 94 HB VAL 17 HB VAL 17 -8.219 -9.092 3.088 95 HG11 VAL 17 1HG1 VAL 17 -6.990 -7.778 5.086 96 HG12 VAL 17 2HG1 VAL 17 -8.350 -6.691 4.797 97 HG13 VAL 17 3HG1 VAL 17 -8.642 -8.385 5.191 98 HG21 VAL 17 3HG2 VAL 17 -9.952 -7.405 2.798 99 HG22 VAL 17 1HG2 VAL 17 -8.721 -6.170 2.529 100 HG23 VAL 17 2HG2 VAL 17 -8.918 -7.486 1.371 101 H SER 18 H SER 18 -5.489 -10.159 2.600 102 HA SER 18 HA SER 18 -5.419 -10.391 -0.304 103 HB2 SER 18 1HB SER 18 -3.404 -11.002 0.963 104 HB3 SER 18 2HB SER 18 -4.321 -12.228 1.840 105 HG SER 18 HG SER 18 -3.336 -12.255 -0.749 106 H THR 19 H THR 19 -6.575 -11.838 -1.486 107 HA THR 19 HA THR 19 -8.622 -13.381 -0.030 108 HB THR 19 HB THR 19 -10.171 -13.005 -1.716 109 HG1 THR 19 1HG THR 19 -9.224 -11.945 -3.779 110 HG21 THR 19 3HG2 THR 19 -8.423 -10.582 -1.416 111 HG22 THR 19 1HG2 THR 19 -9.988 -10.916 -0.678 112 HG23 THR 19 2HG2 THR 19 -9.888 -10.537 -2.397 113 H SER 20 H SER 20 -5.777 -13.786 -1.543 114 HA SER 20 HA SER 20 -6.408 -16.549 -2.237 115 HB2 SER 20 1HB SER 20 -4.602 -15.231 -4.168 116 HB3 SER 20 2HB SER 20 -5.854 -16.442 -4.439 117 HG SER 20 HG SER 20 -7.130 -14.888 -5.010 118 HA PRO 21 HA PRO 21 -2.536 -17.947 -0.719 119 HB2 PRO 21 1HB PRO 21 -1.473 -18.260 -3.489 120 HB3 PRO 21 2HB PRO 21 -1.509 -19.424 -2.158 121 HG2 PRO 21 1HG PRO 21 -3.234 -19.585 -4.202 122 HG3 PRO 21 2HG PRO 21 -3.710 -20.003 -2.546 123 HD2 PRO 21 1HD PRO 21 -4.406 -17.639 -4.176 124 HD3 PRO 21 2HD PRO 21 -5.317 -18.435 -2.877 125 H THR 22 H THR 22 -1.970 -15.976 -3.639 126 HA THR 22 HA THR 22 -0.089 -14.343 -2.081 127 HB THR 22 HB THR 22 1.529 -14.279 -3.831 128 HG1 THR 22 1HG THR 22 0.997 -14.689 -5.837 129 HG21 THR 22 3HG2 THR 22 0.679 -17.166 -3.637 130 HG22 THR 22 1HG2 THR 22 1.506 -16.303 -2.342 131 HG23 THR 22 2HG2 THR 22 2.306 -16.538 -3.895 132 H SER 23 H SER 23 -1.582 -12.676 -1.922 133 HA SER 23 HA SER 23 -1.692 -10.892 -4.142 134 HB2 SER 23 1HB SER 23 -3.968 -10.937 -4.703 135 HB3 SER 23 2HB SER 23 -3.556 -12.646 -4.560 136 HG SER 23 HG SER 23 -5.109 -11.036 -2.887 137 H ILE 24 H ILE 24 -3.266 -8.998 -3.569 138 HA ILE 24 HA ILE 24 -3.766 -8.563 -0.781 139 HB ILE 24 HB ILE 24 -1.514 -7.038 -2.092 140 HG12 ILE 24 1HG1 ILE 24 -1.667 -8.985 0.202 141 HG13 ILE 24 2HG1 ILE 24 -0.661 -9.076 -1.239 142 HG21 ILE 24 1HG2 ILE 24 -2.892 -5.498 -0.849 143 HG22 ILE 24 2HG2 ILE 24 -2.892 -6.573 0.548 144 HG23 ILE 24 3HG2 ILE 24 -1.397 -5.789 0.039 145 HD11 ILE 24 3HD1 ILE 24 -0.334 -7.312 1.160 146 HD12 ILE 24 1HD1 ILE 24 0.791 -8.496 0.495 147 HD13 ILE 24 2HD1 ILE 24 0.490 -6.985 -0.365 148 H LEU 25 H LEU 25 -5.763 -7.781 -1.095 149 HA LEU 25 HA LEU 25 -6.305 -5.894 -3.232 150 HB2 LEU 25 1HB LEU 25 -7.842 -7.785 -2.562 151 HB3 LEU 25 2HB LEU 25 -8.205 -6.858 -1.107 152 HG LEU 25 HG LEU 25 -9.046 -5.022 -2.575 153 HD11 LEU 25 1HD1 LEU 25 -7.729 -6.301 -4.575 154 HD12 LEU 25 2HD1 LEU 25 -9.007 -5.110 -4.814 155 HD13 LEU 25 3HD1 LEU 25 -9.388 -6.831 -4.855 156 HD21 LEU 25 3HD2 LEU 25 -10.271 -7.733 -2.430 157 HD22 LEU 25 1HD2 LEU 25 -11.061 -6.490 -3.400 158 HD23 LEU 25 2HD2 LEU 25 -10.781 -6.221 -1.679 159 H ILE 26 H ILE 26 -5.599 -3.883 -2.840 160 HA ILE 26 HA ILE 26 -5.994 -2.727 -0.174 161 HB ILE 26 HB ILE 26 -4.478 -1.468 -2.452 162 HG12 ILE 26 1HG1 ILE 26 -3.070 -2.904 -0.247 163 HG13 ILE 26 2HG1 ILE 26 -3.742 -3.860 -1.564 164 HG21 ILE 26 1HG2 ILE 26 -3.311 -0.696 -0.111 165 HG22 ILE 26 2HG2 ILE 26 -4.529 0.226 -0.990 166 HG23 ILE 26 3HG2 ILE 26 -5.009 -0.817 0.349 167 HD11 ILE 26 3HD1 ILE 26 -2.347 -1.703 -2.726 168 HD12 ILE 26 1HD1 ILE 26 -1.312 -2.394 -1.477 169 HD13 ILE 26 2HD1 ILE 26 -1.944 -3.420 -2.765 170 H THR 27 H THR 27 -7.849 -1.688 0.104 171 HA THR 27 HA THR 27 -8.984 -0.185 -2.161 172 HB THR 27 HB THR 27 -11.155 -0.335 -1.002 173 HG1 THR 27 1HG THR 27 -11.197 -0.949 1.015 174 HG21 THR 27 3HG2 THR 27 -10.422 -3.169 -0.995 175 HG22 THR 27 1HG2 THR 27 -9.896 -2.301 -2.437 176 HG23 THR 27 2HG2 THR 27 -11.601 -2.308 -1.983 177 H TRP 28 H TRP 28 -8.021 1.791 -1.908 178 HA TRP 28 HA TRP 28 -8.406 3.141 0.681 179 HB2 TRP 28 1HB TRP 28 -6.551 4.577 0.112 180 HB3 TRP 28 2HB TRP 28 -6.051 2.903 -0.110 181 HD1 TRP 28 HD TRP 28 -6.220 6.162 -1.895 182 HE1 TRP 28 1HE TRP 28 -5.520 5.865 -4.354 183 HE3 TRP 28 3HE TRP 28 -6.289 1.057 -2.147 184 HZ2 TRP 28 2HZ TRP 28 -5.059 3.747 -6.161 185 HZ3 TRP 28 3HZ TRP 28 -5.706 -0.027 -4.278 186 HH2 TRP 28 HH TRP 28 -5.105 1.292 -6.242 187 H GLU 29 H GLU 29 -8.501 5.647 0.330 188 HA GLU 29 HA GLU 29 -10.099 6.354 -2.008 189 HB2 GLU 29 1HB GLU 29 -11.083 6.278 0.802 190 HB3 GLU 29 2HB GLU 29 -11.608 7.614 -0.213 191 HG2 GLU 29 1HG GLU 29 -12.380 5.926 -1.888 192 HG3 GLU 29 2HG GLU 29 -12.033 4.678 -0.693 193 HA PRO 30 HA PRO 30 -8.027 10.214 -1.786 194 HB2 PRO 30 1HB PRO 30 -9.951 11.961 -2.571 195 HB3 PRO 30 2HB PRO 30 -9.169 10.830 -3.682 196 HG2 PRO 30 1HG PRO 30 -11.823 10.613 -2.313 197 HG3 PRO 30 2HG PRO 30 -11.395 10.230 -3.991 198 HD2 PRO 30 1HD PRO 30 -11.653 8.326 -2.083 199 HD3 PRO 30 2HD PRO 30 -10.505 8.179 -3.428 200 HA PRO 31 HA PRO 31 -8.906 11.802 2.271 201 HB2 PRO 31 1HB PRO 31 -6.981 13.717 2.287 202 HB3 PRO 31 2HB PRO 31 -6.629 11.999 2.511 203 HG2 PRO 31 1HG PRO 31 -6.382 13.677 0.044 204 HG3 PRO 31 2HG PRO 31 -5.266 12.457 0.684 205 HD2 PRO 31 1HD PRO 31 -6.982 11.939 -1.346 206 HD3 PRO 31 2HD PRO 31 -6.495 10.703 -0.168 207 H ALA 32 H ALA 32 -10.699 12.981 2.537 208 HA ALA 32 HA ALA 32 -11.463 15.123 0.837 209 HB1 ALA 32 3HB ALA 32 -12.835 15.257 3.337 210 HB2 ALA 32 1HB ALA 32 -13.437 14.729 1.766 211 HB3 ALA 32 2HB ALA 32 -12.674 13.569 2.854 212 H TYR 33 H TYR 33 -9.972 14.958 4.033 213 HA TYR 33 HA TYR 33 -9.837 17.880 4.145 214 HB2 TYR 33 1HB TYR 33 -8.847 17.340 6.474 215 HB3 TYR 33 2HB TYR 33 -10.566 17.063 6.211 216 HD1 TYR 33 2HD TYR 33 -7.276 15.403 6.492 217 HD2 TYR 33 1HD TYR 33 -11.497 14.882 6.374 218 HE1 TYR 33 2HE TYR 33 -7.002 13.067 7.211 219 HE2 TYR 33 1HE TYR 33 -11.235 12.545 7.093 220 HH TYR 33 HH TYR 33 -8.926 10.786 6.828 221 H ALA 34 H ALA 34 -8.266 16.732 2.169 222 HA ALA 34 HA ALA 34 -5.548 16.566 3.196 223 HB1 ALA 34 3HB ALA 34 -5.060 15.424 1.335 224 HB2 ALA 34 1HB ALA 34 -6.807 15.323 1.113 225 HB3 ALA 34 2HB ALA 34 -5.885 16.584 0.293 226 H ASN 35 H ASN 35 -3.887 17.740 1.655 227 HA ASN 35 HA ASN 35 -4.623 20.573 1.733 228 HB2 ASN 35 1HB ASN 35 -2.073 19.058 1.961 229 HB3 ASN 35 2HB ASN 35 -1.993 20.661 1.238 230 HD21 ASN 35 1HD2 ASN 35 -0.960 19.622 3.791 231 HD22 ASN 35 2HD2 ASN 35 -1.617 20.656 5.010 232 H GLY 36 H GLY 36 -5.858 20.533 -0.220 233 HA2 GLY 36 1HA GLY 36 -5.914 21.301 -2.426 234 HA3 GLY 36 2HA GLY 36 -4.196 20.958 -2.564 235 HA PRO 37 HA PRO 37 -6.341 17.775 -5.087 236 HB2 PRO 37 1HB PRO 37 -4.442 17.730 -7.027 237 HB3 PRO 37 2HB PRO 37 -5.767 18.900 -7.007 238 HG2 PRO 37 1HG PRO 37 -2.928 19.235 -6.117 239 HG3 PRO 37 2HG PRO 37 -3.947 20.347 -7.050 240 HD2 PRO 37 1HD PRO 37 -3.507 20.654 -4.396 241 HD3 PRO 37 2HD PRO 37 -5.031 21.129 -5.172 242 H VAL 38 H VAL 38 -5.246 15.751 -6.123 243 HA VAL 38 HA VAL 38 -3.026 14.812 -4.442 244 HB VAL 38 HB VAL 38 -5.565 13.262 -4.975 245 HG11 VAL 38 1HG1 VAL 38 -3.260 12.053 -4.922 246 HG12 VAL 38 2HG1 VAL 38 -3.360 12.335 -3.183 247 HG13 VAL 38 3HG1 VAL 38 -4.613 11.399 -4.000 248 HG21 VAL 38 3HG2 VAL 38 -4.665 14.953 -2.772 249 HG22 VAL 38 1HG2 VAL 38 -6.281 14.369 -3.167 250 HG23 VAL 38 2HG2 VAL 38 -5.169 13.342 -2.262 251 H GLN 39 H GLN 39 -1.553 14.850 -6.102 252 HA GLN 39 HA GLN 39 -1.839 14.200 -8.733 253 HB2 GLN 39 1HB GLN 39 0.487 13.657 -6.891 254 HB3 GLN 39 2HB GLN 39 0.571 13.427 -8.632 255 HG2 GLN 39 1HG GLN 39 -0.304 15.914 -8.651 256 HG3 GLN 39 2HG GLN 39 0.435 15.933 -7.050 257 HE21 GLN 39 1HE2 GLN 39 0.966 16.516 -10.238 258 HE22 GLN 39 2HE2 GLN 39 2.688 16.394 -10.273 259 H GLY 40 H GLY 40 -1.371 11.958 -6.036 260 HA2 GLY 40 1HA GLY 40 -2.817 9.867 -7.161 261 HA3 GLY 40 2HA GLY 40 -1.139 9.617 -7.619 262 H TYR 41 H TYR 41 -0.820 7.776 -6.415 263 HA TYR 41 HA TYR 41 -0.436 8.218 -3.568 264 HB2 TYR 41 1HB TYR 41 -2.043 5.833 -4.481 265 HB3 TYR 41 2HB TYR 41 -1.758 6.378 -2.831 266 HD1 TYR 41 1HD TYR 41 -3.609 7.061 -5.942 267 HD2 TYR 41 2HD TYR 41 -3.092 8.111 -1.851 268 HE1 TYR 41 1HE TYR 41 -5.701 8.352 -6.015 269 HE2 TYR 41 2HE TYR 41 -5.183 9.403 -1.912 270 HH TYR 41 HH TYR 41 -7.030 9.769 -4.915 271 H ARG 42 H ARG 42 1.007 6.746 -2.600 272 HA ARG 42 HA ARG 42 2.466 5.034 -4.505 273 HB2 ARG 42 1HB ARG 42 3.421 7.063 -2.575 274 HB3 ARG 42 2HB ARG 42 4.350 5.571 -2.645 275 HG2 ARG 42 1HG ARG 42 4.874 5.888 -4.923 276 HG3 ARG 42 2HG ARG 42 3.676 7.173 -5.093 277 HD2 ARG 42 1HD ARG 42 5.614 8.396 -4.923 278 HD3 ARG 42 2HD ARG 42 5.102 8.338 -3.237 279 HE ARG 42 HE ARG 42 6.785 6.152 -3.764 280 HH11 ARG 42 1HH1 ARG 42 6.901 9.618 -3.460 281 HH12 ARG 42 2HH1 ARG 42 8.549 9.647 -2.925 282 HH21 ARG 42 1HH2 ARG 42 8.954 6.176 -3.060 283 HH22 ARG 42 2HH2 ARG 42 9.716 7.688 -2.698 284 H LEU 43 H LEU 43 2.930 2.985 -3.893 285 HA LEU 43 HA LEU 43 2.126 2.184 -1.173 286 HB2 LEU 43 1HB LEU 43 0.523 1.241 -2.588 287 HB3 LEU 43 2HB LEU 43 1.717 0.844 -3.822 288 HG LEU 43 HG LEU 43 2.639 -0.816 -2.067 289 HD11 LEU 43 1HD1 LEU 43 0.760 -1.700 -0.626 290 HD12 LEU 43 2HD1 LEU 43 -0.083 -0.186 -0.956 291 HD13 LEU 43 3HD1 LEU 43 1.471 -0.166 -0.123 292 HD21 LEU 43 3HD2 LEU 43 1.294 -2.538 -2.957 293 HD22 LEU 43 1HD2 LEU 43 1.384 -1.303 -4.213 294 HD23 LEU 43 2HD2 LEU 43 -0.067 -1.446 -3.220 295 H PHE 44 H PHE 44 3.715 1.402 0.030 296 HA PHE 44 HA PHE 44 6.100 0.326 -1.321 297 HB2 PHE 44 1HB PHE 44 5.950 1.460 1.477 298 HB3 PHE 44 2HB PHE 44 7.403 1.025 0.583 299 HD1 PHE 44 2HD PHE 44 7.684 2.281 -1.720 300 HD2 PHE 44 1HD PHE 44 5.325 3.666 1.541 301 HE1 PHE 44 2HE PHE 44 7.840 4.578 -2.588 302 HE2 PHE 44 1HE PHE 44 5.476 5.965 0.678 303 HZ PHE 44 HZ PHE 44 6.736 6.424 -1.388 304 H CYS 45 H CYS 45 6.125 -1.819 -1.293 305 HA CYS 45 HA CYS 45 4.991 -3.226 1.023 306 HB2 CYS 45 1HB CYS 45 3.974 -3.903 -1.051 307 HB3 CYS 45 2HB CYS 45 5.547 -4.149 -1.800 308 HG CYS 45 HG CYS 45 6.190 -6.428 -0.463 309 H THR 46 H THR 46 6.294 -4.215 2.413 310 HA THR 46 HA THR 46 9.074 -4.745 1.588 311 HB THR 46 HB THR 46 8.219 -4.244 4.434 312 HG1 THR 46 1HG THR 46 9.182 -2.362 2.518 313 HG21 THR 46 3HG2 THR 46 10.849 -4.308 2.972 314 HG22 THR 46 1HG2 THR 46 10.336 -5.289 4.344 315 HG23 THR 46 2HG2 THR 46 10.672 -3.571 4.564 316 H GLU 47 H GLU 47 9.899 -6.740 1.924 317 HA GLU 47 HA GLU 47 8.055 -8.804 2.817 318 HB2 GLU 47 1HB GLU 47 9.358 -9.093 0.726 319 HB3 GLU 47 2HB GLU 47 10.840 -9.069 1.671 320 HG2 GLU 47 1HG GLU 47 10.637 -11.286 1.684 321 HG3 GLU 47 2HG GLU 47 9.420 -11.019 2.930 322 H VAL 48 H VAL 48 7.957 -8.749 5.017 323 HA VAL 48 HA VAL 48 9.883 -8.182 6.863 324 HB VAL 48 HB VAL 48 7.808 -10.362 7.125 325 HG11 VAL 48 1HG1 VAL 48 8.812 -10.759 9.078 326 HG12 VAL 48 2HG1 VAL 48 9.815 -9.312 8.948 327 HG13 VAL 48 3HG1 VAL 48 8.178 -9.197 9.595 328 HG21 VAL 48 3HG2 VAL 48 6.955 -8.098 6.467 329 HG22 VAL 48 1HG2 VAL 48 6.340 -8.702 8.006 330 HG23 VAL 48 2HG2 VAL 48 7.612 -7.480 7.983 331 H SER 49 H SER 49 9.439 -11.198 5.108 332 HA SER 49 HA SER 49 11.117 -12.871 6.549 333 HB2 SER 49 1HB SER 49 10.175 -12.765 3.730 334 HB3 SER 49 2HB SER 49 11.555 -13.807 4.076 335 HG SER 49 HG SER 49 9.028 -13.885 5.369 336 H THR 50 H THR 50 11.994 -11.035 3.617 337 HA THR 50 HA THR 50 14.815 -11.390 4.215 338 HB THR 50 HB THR 50 15.206 -10.230 2.069 339 HG1 THR 50 1HG THR 50 13.350 -9.719 0.791 340 HG21 THR 50 3HG2 THR 50 13.123 -12.171 1.303 341 HG22 THR 50 1HG2 THR 50 14.342 -12.768 2.429 342 HG23 THR 50 2HG2 THR 50 14.831 -12.108 0.867 343 H GLY 51 H GLY 51 12.626 -8.633 3.613 344 HA2 GLY 51 1HA GLY 51 12.665 -6.795 5.239 345 HA3 GLY 51 2HA GLY 51 14.407 -7.009 5.323 346 H LYS 52 H LYS 52 13.102 -7.339 2.197 347 HA LYS 52 HA LYS 52 14.283 -4.777 1.435 348 HB2 LYS 52 1HB LYS 52 13.453 -7.215 -0.129 349 HB3 LYS 52 2HB LYS 52 13.894 -5.706 -0.917 350 HG2 LYS 52 1HG LYS 52 16.102 -5.811 0.155 351 HG3 LYS 52 2HG LYS 52 15.655 -7.354 0.887 352 HD2 LYS 52 1HD LYS 52 15.270 -8.242 -1.421 353 HD3 LYS 52 2HD LYS 52 15.939 -6.734 -2.051 354 HE2 LYS 52 1HE LYS 52 17.518 -8.254 -0.039 355 HE3 LYS 52 2HE LYS 52 17.443 -8.877 -1.686 356 HZ1 LYS 52 3HZ LYS 52 18.564 -6.321 -0.732 357 HZ2 LYS 52 1HZ LYS 52 18.084 -6.503 -2.345 358 HZ3 LYS 52 2HZ LYS 52 19.288 -7.502 -1.702 359 H GLU 53 H GLU 53 13.131 -3.073 0.752 360 HA GLU 53 HA GLU 53 10.215 -3.349 0.691 361 HB2 GLU 53 1HB GLU 53 11.039 -1.647 2.196 362 HB3 GLU 53 2HB GLU 53 11.996 -0.919 0.914 363 HG2 GLU 53 1HG GLU 53 9.060 -1.141 0.531 364 HG3 GLU 53 2HG GLU 53 9.677 0.079 1.643 365 H GLN 54 H GLN 54 8.967 -2.419 -0.992 366 HA GLN 54 HA GLN 54 10.425 -1.809 -3.468 367 HB2 GLN 54 1HB GLN 54 9.061 -3.244 -4.777 368 HB3 GLN 54 2HB GLN 54 9.614 -4.203 -3.411 369 HG2 GLN 54 1HG GLN 54 7.508 -4.089 -2.353 370 HG3 GLN 54 2HG GLN 54 6.945 -2.830 -3.451 371 HE21 GLN 54 1HE2 GLN 54 6.181 -5.737 -2.730 372 HE22 GLN 54 2HE2 GLN 54 5.896 -6.456 -4.275 373 H ASN 55 H ASN 55 9.584 -0.187 -4.673 374 HA ASN 55 HA ASN 55 7.293 1.230 -3.540 375 HB2 ASN 55 1HB ASN 55 8.135 2.903 -5.453 376 HB3 ASN 55 2HB ASN 55 8.879 2.845 -3.858 377 HD21 ASN 55 1HD2 ASN 55 10.880 1.823 -3.607 378 HD22 ASN 55 2HD2 ASN 55 11.920 1.526 -4.955 379 H ILE 56 H ILE 56 5.422 1.630 -4.635 380 HA ILE 56 HA ILE 56 5.188 0.735 -7.409 381 HB ILE 56 HB ILE 56 3.321 -0.194 -5.224 382 HG12 ILE 56 1HG1 ILE 56 5.064 -1.895 -7.003 383 HG13 ILE 56 2HG1 ILE 56 5.609 -1.315 -5.433 384 HG21 ILE 56 1HG2 ILE 56 2.990 0.073 -8.075 385 HG22 ILE 56 2HG2 ILE 56 2.835 -1.609 -7.573 386 HG23 ILE 56 3HG2 ILE 56 1.810 -0.374 -6.844 387 HD11 ILE 56 3HD1 ILE 56 4.729 -3.172 -4.602 388 HD12 ILE 56 1HD1 ILE 56 3.152 -2.436 -4.889 389 HD13 ILE 56 2HD1 ILE 56 3.853 -3.517 -6.093 390 H GLU 57 H GLU 57 3.804 1.930 -8.616 391 HA GLU 57 HA GLU 57 2.341 4.068 -7.215 392 HB2 GLU 57 1HB GLU 57 3.907 4.006 -9.737 393 HB3 GLU 57 2HB GLU 57 2.465 5.011 -9.723 394 HG2 GLU 57 1HG GLU 57 3.475 5.910 -7.487 395 HG3 GLU 57 2HG GLU 57 4.980 5.284 -8.157 396 H VAL 58 H VAL 58 0.282 3.435 -7.019 397 HA VAL 58 HA VAL 58 -1.040 2.237 -9.364 398 HB VAL 58 HB VAL 58 -2.667 1.265 -7.869 399 HG11 VAL 58 1HG1 VAL 58 -0.457 0.131 -8.258 400 HG12 VAL 58 2HG1 VAL 58 0.053 0.746 -6.685 401 HG13 VAL 58 3HG1 VAL 58 -1.311 -0.367 -6.798 402 HG21 VAL 58 3HG2 VAL 58 -3.133 2.254 -5.934 403 HG22 VAL 58 1HG2 VAL 58 -1.594 1.666 -5.304 404 HG23 VAL 58 2HG2 VAL 58 -1.689 3.259 -6.054 405 H ASP 59 H ASP 59 -2.835 3.165 -10.211 406 HA ASP 59 HA ASP 59 -3.679 5.725 -9.024 407 HB2 ASP 59 1HB ASP 59 -4.216 4.952 -11.877 408 HB3 ASP 59 2HB ASP 59 -4.106 6.560 -11.166 409 H GLY 60 H GLY 60 -5.610 5.740 -8.096 410 HA2 GLY 60 1HA GLY 60 -8.049 5.356 -8.806 411 HA3 GLY 60 2HA GLY 60 -7.556 3.671 -8.877 412 H LEU 61 H LEU 61 -8.898 2.923 -7.278 413 HA LEU 61 HA LEU 61 -8.248 3.844 -4.560 414 HB2 LEU 61 1HB LEU 61 -10.963 3.082 -5.623 415 HB3 LEU 61 2HB LEU 61 -10.596 3.388 -3.927 416 HG LEU 61 HG LEU 61 -9.779 5.716 -4.957 417 HD11 LEU 61 1HD1 LEU 61 -11.683 6.309 -6.610 418 HD12 LEU 61 2HD1 LEU 61 -11.725 4.573 -6.916 419 HD13 LEU 61 3HD1 LEU 61 -10.243 5.484 -7.208 420 HD21 LEU 61 3HD2 LEU 61 -11.357 6.382 -3.549 421 HD22 LEU 61 1HD2 LEU 61 -12.018 4.747 -3.527 422 HD23 LEU 61 2HD2 LEU 61 -12.609 5.920 -4.704 423 H SER 62 H SER 62 -8.864 1.247 -6.744 424 HA SER 62 HA SER 62 -8.270 -0.671 -4.590 425 HB2 SER 62 1HB SER 62 -9.697 -2.323 -5.797 426 HB3 SER 62 2HB SER 62 -10.606 -0.940 -5.186 427 HG SER 62 HG SER 62 -9.585 -0.811 -7.785 428 H TYR 63 H TYR 63 -6.669 -2.090 -4.979 429 HA TYR 63 HA TYR 63 -5.755 -2.544 -7.711 430 HB2 TYR 63 1HB TYR 63 -4.462 -0.597 -6.896 431 HB3 TYR 63 2HB TYR 63 -3.897 -1.560 -5.535 432 HD1 TYR 63 2HD TYR 63 -2.357 -3.465 -5.925 433 HD2 TYR 63 1HD TYR 63 -3.482 -0.820 -9.062 434 HE1 TYR 63 2HE TYR 63 -0.462 -4.266 -7.272 435 HE2 TYR 63 1HE TYR 63 -1.591 -1.615 -10.418 436 HH TYR 63 HH TYR 63 0.830 -2.761 -9.707 437 H LYS 64 H LYS 64 -5.533 -4.654 -7.963 438 HA LYS 64 HA LYS 64 -5.233 -6.376 -5.639 439 HB2 LYS 64 1HB LYS 64 -6.814 -6.715 -7.704 440 HB3 LYS 64 2HB LYS 64 -5.373 -7.389 -8.455 441 HG2 LYS 64 1HG LYS 64 -5.211 -8.907 -6.426 442 HG3 LYS 64 2HG LYS 64 -6.849 -8.378 -6.037 443 HD2 LYS 64 1HD LYS 64 -7.429 -9.066 -8.441 444 HD3 LYS 64 2HD LYS 64 -5.889 -9.928 -8.423 445 HE2 LYS 64 1HE LYS 64 -6.588 -11.337 -6.663 446 HE3 LYS 64 2HE LYS 64 -7.978 -10.317 -6.295 447 HZ1 LYS 64 3HZ LYS 64 -7.679 -12.376 -8.306 448 HZ2 LYS 64 1HZ LYS 64 -8.456 -10.972 -8.844 449 HZ3 LYS 64 2HZ LYS 64 -9.071 -11.823 -7.518 450 H LEU 65 H LEU 65 -3.258 -6.808 -4.922 451 HA LEU 65 HA LEU 65 -0.953 -6.606 -6.653 452 HB2 LEU 65 1HB LEU 65 -1.243 -6.005 -4.098 453 HB3 LEU 65 2HB LEU 65 -0.785 -7.694 -3.887 454 HG LEU 65 HG LEU 65 1.206 -6.934 -5.490 455 HD11 LEU 65 1HD1 LEU 65 0.898 -4.712 -5.881 456 HD12 LEU 65 2HD1 LEU 65 1.843 -4.612 -4.396 457 HD13 LEU 65 3HD1 LEU 65 0.090 -4.436 -4.337 458 HD21 LEU 65 3HD2 LEU 65 0.819 -7.055 -2.584 459 HD22 LEU 65 1HD2 LEU 65 2.233 -6.140 -3.107 460 HD23 LEU 65 2HD2 LEU 65 2.038 -7.822 -3.603 461 H GLU 66 H GLU 66 0.489 -8.275 -7.152 462 HA GLU 66 HA GLU 66 -0.264 -11.007 -6.476 463 HB2 GLU 66 1HB GLU 66 0.157 -10.231 -9.360 464 HB3 GLU 66 2HB GLU 66 -0.392 -11.778 -8.729 465 HG2 GLU 66 1HG GLU 66 -2.423 -10.551 -7.859 466 HG3 GLU 66 2HG GLU 66 -1.894 -9.182 -8.836 467 H GLY 67 H GLY 67 1.402 -12.586 -7.130 468 HA2 GLY 67 1HA GLY 67 3.601 -13.199 -7.647 469 HA3 GLY 67 2HA GLY 67 4.011 -11.499 -7.818 470 H LEU 68 H LEU 68 2.392 -12.900 -5.030 471 HA LEU 68 HA LEU 68 4.724 -12.150 -3.404 472 HB2 LEU 68 1HB LEU 68 1.848 -12.539 -2.585 473 HB3 LEU 68 2HB LEU 68 3.164 -12.059 -1.515 474 HG LEU 68 HG LEU 68 2.629 -10.341 -3.876 475 HD11 LEU 68 1HD1 LEU 68 0.911 -9.120 -2.460 476 HD12 LEU 68 2HD1 LEU 68 0.790 -10.605 -1.516 477 HD13 LEU 68 3HD1 LEU 68 0.386 -10.617 -3.233 478 HD21 LEU 68 3HD2 LEU 68 4.337 -10.167 -1.816 479 HD22 LEU 68 1HD2 LEU 68 2.960 -9.302 -1.132 480 HD23 LEU 68 2HD2 LEU 68 3.678 -8.758 -2.649 481 H LYS 69 H LYS 69 4.389 -13.512 -1.138 482 HA LYS 69 HA LYS 69 4.897 -16.261 -1.968 483 HB2 LYS 69 1HB LYS 69 5.378 -14.775 0.614 484 HB3 LYS 69 2HB LYS 69 5.652 -16.503 0.442 485 HG2 LYS 69 1HG LYS 69 7.208 -15.937 -1.467 486 HG3 LYS 69 2HG LYS 69 7.079 -14.255 -0.946 487 HD2 LYS 69 1HD LYS 69 8.924 -14.870 0.247 488 HD3 LYS 69 2HD LYS 69 7.673 -15.329 1.405 489 HE2 LYS 69 1HE LYS 69 9.033 -17.207 1.347 490 HE3 LYS 69 2HE LYS 69 7.746 -17.623 0.216 491 HZ1 LYS 69 3HZ LYS 69 10.467 -17.589 -0.278 492 HZ2 LYS 69 1HZ LYS 69 9.833 -16.273 -1.132 493 HZ3 LYS 69 2HZ LYS 69 9.225 -17.827 -1.402 494 H LYS 70 H LYS 70 3.743 -18.019 -1.288 495 HA LYS 70 HA LYS 70 1.091 -18.041 -1.002 496 HB2 LYS 70 1HB LYS 70 2.756 -20.014 -0.974 497 HB3 LYS 70 2HB LYS 70 2.708 -19.850 0.777 498 HG2 LYS 70 1HG LYS 70 0.570 -20.621 0.933 499 HG3 LYS 70 2HG LYS 70 0.125 -20.042 -0.674 500 HD2 LYS 70 1HD LYS 70 2.065 -22.302 -0.269 501 HD3 LYS 70 2HD LYS 70 0.322 -22.566 -0.356 502 HE2 LYS 70 1HE LYS 70 0.206 -21.853 -2.574 503 HE3 LYS 70 2HE LYS 70 1.756 -21.019 -2.485 504 HZ1 LYS 70 3HZ LYS 70 1.889 -23.865 -2.005 505 HZ2 LYS 70 1HZ LYS 70 2.874 -22.880 -2.966 506 HZ3 LYS 70 2HZ LYS 70 1.398 -23.444 -3.569 507 H PHE 71 H PHE 71 3.012 -18.457 1.967 508 HA PHE 71 HA PHE 71 1.129 -16.665 3.345 509 HB2 PHE 71 1HB PHE 71 0.629 -19.063 3.831 510 HB3 PHE 71 2HB PHE 71 2.249 -19.225 4.501 511 HD1 PHE 71 1HD PHE 71 2.861 -17.623 6.433 512 HD2 PHE 71 2HD PHE 71 -1.128 -18.443 5.196 513 HE1 PHE 71 1HE PHE 71 2.031 -16.872 8.624 514 HE2 PHE 71 2HE PHE 71 -1.965 -17.693 7.384 515 HZ PHE 71 HZ PHE 71 -0.385 -16.906 9.102 516 H THR 72 H THR 72 2.439 -14.925 3.569 517 HA THR 72 HA THR 72 4.711 -15.220 5.371 518 HB THR 72 HB THR 72 4.966 -13.885 2.669 519 HG1 THR 72 1HG THR 72 5.256 -16.358 3.203 520 HG21 THR 72 3HG2 THR 72 6.815 -12.822 3.371 521 HG22 THR 72 1HG2 THR 72 7.369 -14.212 4.304 522 HG23 THR 72 2HG2 THR 72 6.188 -13.099 4.996 523 H GLU 73 H GLU 73 5.012 -13.486 6.691 524 HA GLU 73 HA GLU 73 2.918 -11.585 6.907 525 HB2 GLU 73 1HB GLU 73 4.473 -12.533 8.746 526 HB3 GLU 73 2HB GLU 73 5.595 -11.279 8.237 527 HG2 GLU 73 1HG GLU 73 4.317 -9.595 9.073 528 HG3 GLU 73 2HG GLU 73 2.807 -10.472 8.837 529 H TYR 74 H TYR 74 2.692 -10.168 5.265 530 HA TYR 74 HA TYR 74 5.059 -8.712 4.325 531 HB2 TYR 74 1HB TYR 74 2.366 -9.281 3.146 532 HB3 TYR 74 2HB TYR 74 3.272 -7.878 2.591 533 HD1 TYR 74 2HD TYR 74 5.740 -8.345 1.857 534 HD2 TYR 74 1HD TYR 74 2.728 -11.337 2.137 535 HE1 TYR 74 2HE TYR 74 7.029 -9.778 0.329 536 HE2 TYR 74 1HE TYR 74 4.009 -12.779 0.611 537 HH TYR 74 HH TYR 74 5.826 -12.287 -1.293 538 H SER 75 H SER 75 5.321 -6.578 4.654 539 HA SER 75 HA SER 75 3.179 -5.166 6.104 540 HB2 SER 75 1HB SER 75 4.956 -3.802 7.135 541 HB3 SER 75 2HB SER 75 5.177 -5.517 7.481 542 HG SER 75 HG SER 75 6.432 -4.600 5.198 543 H LEU 76 H LEU 76 2.168 -3.759 4.842 544 HA LEU 76 HA LEU 76 3.676 -2.414 2.710 545 HB2 LEU 76 1HB LEU 76 0.689 -2.453 3.005 546 HB3 LEU 76 2HB LEU 76 1.641 -2.084 1.569 547 HG LEU 76 HG LEU 76 1.525 -4.822 2.821 548 HD11 LEU 76 1HD1 LEU 76 -0.365 -5.315 1.736 549 HD12 LEU 76 2HD1 LEU 76 0.114 -4.414 0.298 550 HD13 LEU 76 3HD1 LEU 76 -0.614 -3.570 1.665 551 HD21 LEU 76 3HD2 LEU 76 3.174 -5.236 1.393 552 HD22 LEU 76 1HD2 LEU 76 3.053 -3.617 0.704 553 HD23 LEU 76 2HD2 LEU 76 2.046 -4.921 0.074 554 H ARG 77 H ARG 77 2.923 -0.142 2.227 555 HA ARG 77 HA ARG 77 1.937 1.346 4.518 556 HB2 ARG 77 1HB ARG 77 4.387 1.171 4.882 557 HB3 ARG 77 2HB ARG 77 4.649 1.947 3.326 558 HG2 ARG 77 1HG ARG 77 3.742 3.992 4.085 559 HG3 ARG 77 2HG ARG 77 3.095 3.242 5.546 560 HD2 ARG 77 1HD ARG 77 4.989 4.286 6.349 561 HD3 ARG 77 2HD ARG 77 5.585 2.659 6.023 562 HE ARG 77 HE ARG 77 6.091 3.992 3.718 563 HH11 ARG 77 1HH1 ARG 77 6.831 4.602 7.065 564 HH12 ARG 77 2HH1 ARG 77 8.301 5.451 6.720 565 HH21 ARG 77 1HH2 ARG 77 8.024 5.108 3.251 566 HH22 ARG 77 2HH2 ARG 77 8.979 5.739 4.551 567 H PHE 78 H PHE 78 0.468 2.689 3.734 568 HA PHE 78 HA PHE 78 0.826 3.740 1.007 569 HB2 PHE 78 1HB PHE 78 -1.255 2.287 1.822 570 HB3 PHE 78 2HB PHE 78 -1.823 3.863 2.365 571 HD1 PHE 78 1HD PHE 78 -0.570 2.050 -0.621 572 HD2 PHE 78 2HD PHE 78 -2.826 5.337 0.871 573 HE1 PHE 78 1HE PHE 78 -1.345 2.550 -2.902 574 HE2 PHE 78 2HE PHE 78 -3.604 5.842 -1.407 575 HZ PHE 78 HZ PHE 78 -2.865 4.447 -3.297 576 H LEU 79 H LEU 79 0.374 5.927 0.586 577 HA LEU 79 HA LEU 79 -0.289 7.730 2.727 578 HB2 LEU 79 1HB LEU 79 1.741 8.973 2.772 579 HB3 LEU 79 2HB LEU 79 2.129 7.282 3.079 580 HG LEU 79 HG LEU 79 2.611 7.292 0.477 581 HD11 LEU 79 1HD1 LEU 79 1.860 9.784 0.508 582 HD12 LEU 79 2HD1 LEU 79 3.259 9.298 -0.449 583 HD13 LEU 79 3HD1 LEU 79 3.489 10.072 1.119 584 HD21 LEU 79 3HD2 LEU 79 4.433 8.338 2.637 585 HD22 LEU 79 1HD2 LEU 79 4.977 7.864 1.027 586 HD23 LEU 79 2HD2 LEU 79 4.251 6.667 2.100 587 H ALA 80 H ALA 80 -0.468 9.969 1.984 588 HA ALA 80 HA ALA 80 -1.177 10.056 -0.861 589 HB1 ALA 80 3HB ALA 80 -2.973 11.204 -0.240 590 HB2 ALA 80 1HB ALA 80 -2.509 10.927 1.439 591 HB3 ALA 80 2HB ALA 80 -1.984 12.392 0.607 592 H TYR 81 H TYR 81 -0.399 11.623 -2.239 593 HA TYR 81 HA TYR 81 1.433 13.645 -1.241 594 HB2 TYR 81 1HB TYR 81 3.318 12.964 -2.529 595 HB3 TYR 81 2HB TYR 81 2.782 11.543 -1.639 596 HD1 TYR 81 1HD TYR 81 2.636 13.182 -4.968 597 HD2 TYR 81 2HD TYR 81 2.213 9.564 -2.769 598 HE1 TYR 81 1HE TYR 81 2.489 11.926 -7.077 599 HE2 TYR 81 2HE TYR 81 2.065 8.297 -4.872 600 HH TYR 81 HH TYR 81 2.038 9.937 -8.008 601 H ASN 82 H ASN 82 1.412 15.453 -2.458 602 HA ASN 82 HA ASN 82 0.122 15.312 -5.102 603 HB2 ASN 82 1HB ASN 82 -0.673 17.724 -4.461 604 HB3 ASN 82 2HB ASN 82 -1.565 16.324 -3.874 605 HD21 ASN 82 1HD2 ASN 82 1.507 17.663 -2.761 606 HD22 ASN 82 2HD2 ASN 82 0.975 18.009 -1.154 607 H ARG 83 H ARG 83 0.425 17.750 -6.072 608 HA ARG 83 HA ARG 83 2.885 17.959 -7.126 609 HB2 ARG 83 1HB ARG 83 2.471 20.288 -7.575 610 HB3 ARG 83 2HB ARG 83 0.947 19.417 -7.687 611 HG2 ARG 83 1HG ARG 83 1.737 20.771 -5.141 612 HG3 ARG 83 2HG ARG 83 1.016 21.687 -6.466 613 HD2 ARG 83 1HD ARG 83 -0.708 19.644 -6.366 614 HD3 ARG 83 2HD ARG 83 -0.182 19.651 -4.683 615 HE ARG 83 HE ARG 83 -1.373 21.573 -4.366 616 HH11 ARG 83 1HH1 ARG 83 -0.872 21.110 -7.780 617 HH12 ARG 83 2HH1 ARG 83 -1.893 22.432 -8.242 618 HH21 ARG 83 1HH2 ARG 83 -2.719 23.316 -4.961 619 HH22 ARG 83 2HH2 ARG 83 -2.942 23.687 -6.638 620 H TYR 84 H TYR 84 1.959 19.027 -3.917 621 HA TYR 84 HA TYR 84 4.360 20.440 -3.346 622 HB2 TYR 84 1HB TYR 84 2.446 19.182 -1.373 623 HB3 TYR 84 2HB TYR 84 3.585 20.486 -1.057 624 HD1 TYR 84 1HD TYR 84 3.182 22.303 -3.283 625 HD2 TYR 84 2HD TYR 84 0.315 20.048 -1.093 626 HE1 TYR 84 1HE TYR 84 1.453 23.957 -3.855 627 HE2 TYR 84 2HE TYR 84 -1.422 21.694 -1.660 628 HH TYR 84 HH TYR 84 -1.894 23.398 -3.254 629 H GLY 85 H GLY 85 3.177 17.275 -2.183 630 HA2 GLY 85 1HA GLY 85 5.326 15.702 -2.650 631 HA3 GLY 85 2HA GLY 85 5.807 16.580 -1.206 632 HA PRO 86 HA PRO 86 3.321 12.735 -0.118 633 HB2 PRO 86 1HB PRO 86 5.284 11.488 1.282 634 HB3 PRO 86 2HB PRO 86 5.058 11.271 -0.458 635 HG2 PRO 86 1HG PRO 86 6.997 13.029 0.996 636 HG3 PRO 86 2HG PRO 86 7.266 12.000 -0.424 637 HD2 PRO 86 1HD PRO 86 6.896 14.676 -0.612 638 HD3 PRO 86 2HD PRO 86 6.359 13.547 -1.872 639 H GLY 87 H GLY 87 2.000 13.301 1.495 640 HA2 GLY 87 1HA GLY 87 2.984 14.832 3.756 641 HA3 GLY 87 2HA GLY 87 1.311 14.400 3.434 642 H VAL 88 H VAL 88 0.794 13.603 5.426 643 HA VAL 88 HA VAL 88 2.434 11.864 6.935 644 HB VAL 88 HB VAL 88 -0.559 12.250 7.080 645 HG11 VAL 88 1HG1 VAL 88 0.669 10.178 8.165 646 HG12 VAL 88 2HG1 VAL 88 1.075 11.369 9.402 647 HG13 VAL 88 3HG1 VAL 88 -0.614 11.038 9.015 648 HG21 VAL 88 3HG2 VAL 88 0.068 14.315 7.717 649 HG22 VAL 88 1HG2 VAL 88 0.492 13.524 9.235 650 HG23 VAL 88 2HG2 VAL 88 1.735 13.826 8.021 651 H SER 89 H SER 89 2.614 9.693 6.987 652 HA SER 89 HA SER 89 1.199 8.193 4.904 653 HB2 SER 89 1HB SER 89 2.940 6.452 5.312 654 HB3 SER 89 2HB SER 89 3.616 8.005 4.820 655 HG SER 89 HG SER 89 3.399 7.945 7.483 656 H THR 90 H THR 90 0.735 5.845 5.498 657 HA THR 90 HA THR 90 -0.764 5.853 8.012 658 HB THR 90 HB THR 90 -1.885 3.826 7.097 659 HG1 THR 90 1HG THR 90 -0.615 2.914 5.618 660 HG21 THR 90 3HG2 THR 90 -1.917 6.257 5.305 661 HG22 THR 90 1HG2 THR 90 -2.890 6.017 6.756 662 HG23 THR 90 2HG2 THR 90 -3.152 5.000 5.339 663 H ASP 91 H ASP 91 -0.680 4.088 9.469 664 HA ASP 91 HA ASP 91 1.873 3.171 10.105 665 HB2 ASP 91 1HB ASP 91 0.838 1.830 11.789 666 HB3 ASP 91 2HB ASP 91 -0.124 3.298 11.645 667 H ASP 92 H ASP 92 2.919 1.203 9.868 668 HA ASP 92 HA ASP 92 2.811 -0.083 7.449 669 HB2 ASP 92 1HB ASP 92 4.288 -1.693 8.333 670 HB3 ASP 92 2HB ASP 92 4.595 -0.242 9.283 671 H ILE 93 H ILE 93 1.224 -1.180 6.522 672 HA ILE 93 HA ILE 93 -0.825 -2.463 8.121 673 HB ILE 93 HB ILE 93 -0.542 -2.287 5.119 674 HG12 ILE 93 1HG1 ILE 93 -2.524 -0.766 6.783 675 HG13 ILE 93 2HG1 ILE 93 -0.890 -0.148 6.569 676 HG21 ILE 93 1HG2 ILE 93 -2.434 -3.667 6.878 677 HG22 ILE 93 2HG2 ILE 93 -3.186 -2.667 5.637 678 HG23 ILE 93 3HG2 ILE 93 -2.056 -3.941 5.178 679 HD11 ILE 93 3HD1 ILE 93 -3.078 -0.460 4.576 680 HD12 ILE 93 1HD1 ILE 93 -2.014 0.913 4.880 681 HD13 ILE 93 2HD1 ILE 93 -1.399 -0.510 4.039 682 H THR 94 H THR 94 -0.138 -4.334 9.009 683 HA THR 94 HA THR 94 1.483 -6.205 7.511 684 HB THR 94 HB THR 94 0.217 -6.698 10.204 685 HG1 THR 94 1HG THR 94 2.752 -5.961 10.464 686 HG21 THR 94 3HG2 THR 94 1.763 -8.394 10.466 687 HG22 THR 94 1HG2 THR 94 2.888 -7.694 9.302 688 HG23 THR 94 2HG2 THR 94 1.424 -8.500 8.738 689 H VAL 95 H VAL 95 0.598 -7.539 6.084 690 HA VAL 95 HA VAL 95 -1.981 -8.793 6.742 691 HB VAL 95 HB VAL 95 -1.166 -7.761 4.022 692 HG11 VAL 95 1HG1 VAL 95 -3.089 -8.712 3.118 693 HG12 VAL 95 2HG1 VAL 95 -2.474 -9.976 4.185 694 HG13 VAL 95 3HG1 VAL 95 -3.825 -8.965 4.700 695 HG21 VAL 95 3HG2 VAL 95 -3.699 -6.849 5.102 696 HG22 VAL 95 1HG2 VAL 95 -2.337 -6.403 6.130 697 HG23 VAL 95 2HG2 VAL 95 -2.357 -5.920 4.434 698 H VAL 96 H VAL 96 -1.443 -10.847 7.141 699 HA VAL 96 HA VAL 96 0.725 -12.161 5.776 700 HB VAL 96 HB VAL 96 -1.335 -13.350 7.639 701 HG11 VAL 96 1HG1 VAL 96 1.156 -14.379 6.369 702 HG12 VAL 96 2HG1 VAL 96 0.731 -14.931 7.991 703 HG13 VAL 96 3HG1 VAL 96 -0.385 -15.190 6.649 704 HG21 VAL 96 3HG2 VAL 96 0.947 -13.183 9.087 705 HG22 VAL 96 1HG2 VAL 96 1.062 -11.716 8.114 706 HG23 VAL 96 2HG2 VAL 96 -0.349 -11.988 9.137 707 H THR 97 H THR 97 0.501 -12.877 3.767 708 HA THR 97 HA THR 97 -1.829 -13.197 2.331 709 HB THR 97 HB THR 97 -0.457 -14.839 0.902 710 HG1 THR 97 1HG THR 97 1.518 -15.311 1.558 711 HG21 THR 97 3HG2 THR 97 0.339 -12.001 1.483 712 HG22 THR 97 1HG2 THR 97 -0.595 -12.631 0.127 713 HG23 THR 97 2HG2 THR 97 1.138 -12.942 0.223 714 H LEU 98 H LEU 98 -3.078 -14.992 1.704 715 HA LEU 98 HA LEU 98 -3.823 -16.746 3.735 716 HB2 LEU 98 1HB LEU 98 -4.207 -17.307 0.808 717 HB3 LEU 98 2HB LEU 98 -5.232 -17.800 2.153 718 HG LEU 98 HG LEU 98 -4.946 -15.041 0.978 719 HD11 LEU 98 1HD1 LEU 98 -7.307 -16.896 1.240 720 HD12 LEU 98 2HD1 LEU 98 -6.402 -16.582 -0.241 721 HD13 LEU 98 3HD1 LEU 98 -7.322 -15.285 0.522 722 HD21 LEU 98 3HD2 LEU 98 -7.003 -15.149 2.915 723 HD22 LEU 98 1HD2 LEU 98 -5.538 -14.167 2.927 724 HD23 LEU 98 2HD2 LEU 98 -5.532 -15.767 3.668 725 H SER 99 H SER 99 -4.003 -19.273 2.896 726 HA SER 99 HA SER 99 -1.270 -20.155 2.276 727 HB2 SER 99 1HB SER 99 -1.291 -20.417 4.616 728 HB3 SER 99 2HB SER 99 -2.968 -20.960 4.630 729 HG SER 99 HG SER 99 -2.251 -22.871 3.558 730 H ASP 100 H ASP 100 -1.356 -21.357 0.510 731 HA ASP 100 HA ASP 100 -3.806 -22.614 -0.341 732 HB2 ASP 100 1HB ASP 100 -1.965 -21.498 -1.809 733 HB3 ASP 100 2HB ASP 100 -1.145 -23.050 -1.662 734 H SER 101 H SER 101 -3.181 -23.722 2.040 735 HA SER 101 HA SER 101 -1.529 -25.902 2.202 736 HB2 SER 101 1HB SER 101 -2.895 -25.035 4.078 737 HB3 SER 101 2HB SER 101 -4.333 -25.732 3.333 738 HG SER 101 HG SER 101 -3.293 -27.041 4.996 739 H GLY 102 H GLY 102 -1.282 -27.437 0.707 740 HA2 GLY 102 1HA GLY 102 -2.940 -29.531 0.260 741 HA3 GLY 102 2HA GLY 102 -3.494 -28.344 -0.912 742 HA PRO 103 HA PRO 103 1.069 -29.582 -2.043 743 HB2 PRO 103 1HB PRO 103 1.914 -31.930 -0.974 744 HB3 PRO 103 2HB PRO 103 2.182 -30.367 -0.193 745 HG2 PRO 103 1HG PRO 103 0.079 -32.425 0.360 746 HG3 PRO 103 2HG PRO 103 1.049 -31.480 1.506 747 HD2 PRO 103 1HD PRO 103 -1.508 -30.839 0.885 748 HD3 PRO 103 2HD PRO 103 -0.288 -29.614 1.292 749 H SER 104 H SER 104 -1.557 -31.823 -1.607 750 HA SER 104 HA SER 104 -1.137 -32.812 -4.326 751 HB2 SER 104 1HB SER 104 -1.452 -35.131 -3.686 752 HB3 SER 104 2HB SER 104 -0.099 -34.464 -2.772 753 HG SER 104 HG SER 104 -2.535 -34.178 -1.538 754 H SER 105 H SER 105 -3.065 -33.968 -5.162 755 HA SER 105 HA SER 105 -5.436 -32.489 -4.497 756 HB2 SER 105 1HB SER 105 -5.003 -34.746 -6.468 757 HB3 SER 105 2HB SER 105 -6.469 -33.774 -6.348 758 HG SER 105 HG SER 105 -4.997 -31.926 -6.709 759 H GLY 106 H GLY 106 -4.466 -35.908 -4.343 760 HA2 GLY 106 1HA GLY 106 -6.774 -36.377 -2.558 761 HA3 GLY 106 2HA GLY 106 -6.078 -37.603 -3.607 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.922 28.446 10.249 2 HA2 GLY 1 1HA GLY 1 5.561 26.100 8.735 3 HA3 GLY 1 2HA GLY 1 3.845 26.198 9.102 4 H SER 2 H SER 2 3.171 26.503 7.002 5 HA SER 2 HA SER 2 2.939 27.526 4.954 6 HB2 SER 2 1HB SER 2 2.745 29.817 6.918 7 HB3 SER 2 2HB SER 2 2.301 29.954 5.217 8 HG SER 2 HG SER 2 0.602 28.660 5.534 9 H SER 3 H SER 3 5.630 27.042 5.433 10 HA SER 3 HA SER 3 7.094 29.474 4.814 11 HB2 SER 3 1HB SER 3 7.847 26.659 5.502 12 HB3 SER 3 2HB SER 3 9.023 27.682 4.677 13 HG SER 3 HG SER 3 7.873 29.031 6.700 14 H GLY 4 H GLY 4 6.701 26.257 3.314 15 HA2 GLY 4 1HA GLY 4 6.861 27.563 0.684 16 HA3 GLY 4 2HA GLY 4 7.937 26.218 1.037 17 H SER 5 H SER 5 7.235 24.196 0.691 18 HA SER 5 HA SER 5 4.594 23.868 -0.456 19 HB2 SER 5 1HB SER 5 6.993 22.063 -0.187 20 HB3 SER 5 2HB SER 5 5.439 21.458 -0.759 21 HG SER 5 HG SER 5 7.203 23.274 -1.965 22 H SER 6 H SER 6 3.041 22.362 0.270 23 HA SER 6 HA SER 6 3.341 21.538 3.083 24 HB2 SER 6 1HB SER 6 0.813 22.569 1.773 25 HB3 SER 6 2HB SER 6 0.971 22.038 3.447 26 HG SER 6 HG SER 6 1.576 24.433 2.340 27 H GLY 7 H GLY 7 2.907 19.461 3.514 28 HA2 GLY 7 1HA GLY 7 2.221 17.710 1.317 29 HA3 GLY 7 2HA GLY 7 2.659 17.220 2.947 30 HA PRO 8 HA PRO 8 -2.080 17.277 2.092 31 HB2 PRO 8 1HB PRO 8 -2.468 14.768 1.130 32 HB3 PRO 8 2HB PRO 8 -2.185 16.165 0.084 33 HG2 PRO 8 1HG PRO 8 -0.260 14.063 0.998 34 HG3 PRO 8 2HG PRO 8 -0.452 14.780 -0.613 35 HD2 PRO 8 1HD PRO 8 1.500 15.546 1.100 36 HD3 PRO 8 2HD PRO 8 0.748 16.667 -0.053 37 H GLY 9 H GLY 9 -3.609 15.327 2.879 38 HA2 GLY 9 1HA GLY 9 -2.502 14.543 5.489 39 HA3 GLY 9 2HA GLY 9 -4.211 14.708 5.112 40 HA PRO 10 HA PRO 10 -2.721 10.218 4.826 41 HB2 PRO 10 1HB PRO 10 -4.028 9.272 7.009 42 HB3 PRO 10 2HB PRO 10 -2.380 9.907 7.077 43 HG2 PRO 10 1HG PRO 10 -4.959 11.251 7.787 44 HG3 PRO 10 2HG PRO 10 -3.408 11.280 8.647 45 HD2 PRO 10 1HD PRO 10 -4.229 13.310 7.054 46 HD3 PRO 10 2HD PRO 10 -2.517 12.878 7.246 47 H VAL 11 H VAL 11 -3.904 9.022 3.481 48 HA VAL 11 HA VAL 11 -6.467 9.626 2.638 49 HB VAL 11 HB VAL 11 -6.530 7.468 1.553 50 HG11 VAL 11 1HG1 VAL 11 -4.717 9.374 1.046 51 HG12 VAL 11 2HG1 VAL 11 -3.632 8.017 1.358 52 HG13 VAL 11 3HG1 VAL 11 -4.855 7.897 0.092 53 HG21 VAL 11 3HG2 VAL 11 -4.218 6.131 2.192 54 HG22 VAL 11 1HG2 VAL 11 -4.775 6.722 3.758 55 HG23 VAL 11 2HG2 VAL 11 -5.835 5.721 2.765 56 H GLU 12 H GLU 12 -8.395 8.130 2.770 57 HA GLU 12 HA GLU 12 -8.742 7.169 5.534 58 HB2 GLU 12 1HB GLU 12 -10.897 8.385 3.804 59 HB3 GLU 12 2HB GLU 12 -11.026 7.934 5.498 60 HG2 GLU 12 1HG GLU 12 -9.020 9.655 5.713 61 HG3 GLU 12 2HG GLU 12 -9.765 10.304 4.254 62 H ASN 13 H ASN 13 -10.852 5.746 5.612 63 HA ASN 13 HA ASN 13 -11.539 3.596 5.202 64 HB2 ASN 13 1HB ASN 13 -11.939 5.061 2.604 65 HB3 ASN 13 2HB ASN 13 -12.432 3.380 2.783 66 HD21 ASN 13 1HD2 ASN 13 -13.599 6.359 2.787 67 HD22 ASN 13 2HD2 ASN 13 -14.905 6.200 3.907 68 H LEU 14 H LEU 14 -8.781 3.690 5.197 69 HA LEU 14 HA LEU 14 -7.842 2.270 2.840 70 HB2 LEU 14 1HB LEU 14 -6.365 3.923 3.726 71 HB3 LEU 14 2HB LEU 14 -6.469 3.227 5.342 72 HG LEU 14 HG LEU 14 -5.429 1.128 4.071 73 HD11 LEU 14 1HD1 LEU 14 -3.654 2.844 2.672 74 HD12 LEU 14 2HD1 LEU 14 -5.295 3.184 2.125 75 HD13 LEU 14 3HD1 LEU 14 -4.660 1.541 2.037 76 HD21 LEU 14 3HD2 LEU 14 -4.508 3.162 5.785 77 HD22 LEU 14 1HD2 LEU 14 -3.256 2.919 4.567 78 HD23 LEU 14 2HD2 LEU 14 -3.820 1.557 5.536 79 H GLN 15 H GLN 15 -8.007 0.142 2.680 80 HA GLN 15 HA GLN 15 -7.488 -1.533 5.003 81 HB2 GLN 15 1HB GLN 15 -10.106 -1.404 3.554 82 HB3 GLN 15 2HB GLN 15 -9.566 -2.931 4.240 83 HG2 GLN 15 1HG GLN 15 -9.533 -0.517 5.970 84 HG3 GLN 15 2HG GLN 15 -11.084 -1.266 5.594 85 HE21 GLN 15 1HE2 GLN 15 -9.472 -1.053 8.100 86 HE22 GLN 15 2HE2 GLN 15 -9.338 -2.676 8.676 87 H ALA 16 H ALA 16 -6.630 -3.515 4.501 88 HA ALA 16 HA ALA 16 -6.383 -4.178 1.643 89 HB1 ALA 16 3HB ALA 16 -4.269 -3.321 2.076 90 HB2 ALA 16 1HB ALA 16 -4.223 -3.989 3.708 91 HB3 ALA 16 2HB ALA 16 -4.050 -5.054 2.313 92 H VAL 17 H VAL 17 -6.532 -6.314 1.112 93 HA VAL 17 HA VAL 17 -6.403 -8.380 3.123 94 HB VAL 17 HB VAL 17 -8.757 -9.205 2.348 95 HG11 VAL 17 1HG1 VAL 17 -7.906 -8.325 4.640 96 HG12 VAL 17 2HG1 VAL 17 -8.842 -6.886 4.232 97 HG13 VAL 17 3HG1 VAL 17 -9.640 -8.455 4.348 98 HG21 VAL 17 3HG2 VAL 17 -8.871 -7.209 0.723 99 HG22 VAL 17 1HG2 VAL 17 -10.308 -7.607 1.665 100 HG23 VAL 17 2HG2 VAL 17 -9.280 -6.259 2.151 101 H SER 18 H SER 18 -5.805 -10.284 2.255 102 HA SER 18 HA SER 18 -5.391 -10.377 -0.620 103 HB2 SER 18 1HB SER 18 -3.550 -11.046 0.856 104 HB3 SER 18 2HB SER 18 -4.559 -12.311 1.557 105 HG SER 18 HG SER 18 -3.348 -12.180 -0.960 106 H THR 19 H THR 19 -6.661 -11.425 -1.996 107 HA THR 19 HA THR 19 -8.722 -13.215 -0.907 108 HB THR 19 HB THR 19 -10.039 -12.778 -2.854 109 HG1 THR 19 1HG THR 19 -7.688 -12.292 -3.996 110 HG21 THR 19 3HG2 THR 19 -10.244 -10.298 -2.789 111 HG22 THR 19 1HG2 THR 19 -8.764 -10.238 -1.833 112 HG23 THR 19 2HG2 THR 19 -10.197 -11.040 -1.190 113 H SER 20 H SER 20 -5.925 -13.980 -1.465 114 HA SER 20 HA SER 20 -6.426 -16.465 -2.723 115 HB2 SER 20 1HB SER 20 -5.526 -14.267 -4.433 116 HB3 SER 20 2HB SER 20 -4.469 -15.677 -4.507 117 HG SER 20 HG SER 20 -6.273 -15.688 -6.009 118 HA PRO 21 HA PRO 21 -2.773 -18.001 -0.853 119 HB2 PRO 21 1HB PRO 21 -1.483 -18.308 -3.525 120 HB3 PRO 21 2HB PRO 21 -1.674 -19.491 -2.225 121 HG2 PRO 21 1HG PRO 21 -3.220 -19.558 -4.414 122 HG3 PRO 21 2HG PRO 21 -3.852 -19.985 -2.813 123 HD2 PRO 21 1HD PRO 21 -4.322 -17.572 -4.452 124 HD3 PRO 21 2HD PRO 21 -5.369 -18.356 -3.252 125 H THR 22 H THR 22 -1.910 -15.984 -3.665 126 HA THR 22 HA THR 22 -0.098 -14.462 -1.924 127 HB THR 22 HB THR 22 1.655 -14.417 -3.532 128 HG1 THR 22 1HG THR 22 0.453 -14.327 -5.445 129 HG21 THR 22 3HG2 THR 22 0.606 -17.246 -3.399 130 HG22 THR 22 1HG2 THR 22 1.568 -16.451 -2.154 131 HG23 THR 22 2HG2 THR 22 2.269 -16.770 -3.740 132 H SER 23 H SER 23 -1.565 -12.760 -1.831 133 HA SER 23 HA SER 23 -1.431 -10.899 -3.982 134 HB2 SER 23 1HB SER 23 -4.235 -11.805 -3.374 135 HB3 SER 23 2HB SER 23 -3.654 -10.851 -4.739 136 HG SER 23 HG SER 23 -3.930 -12.856 -5.550 137 H ILE 24 H ILE 24 -3.013 -8.986 -3.484 138 HA ILE 24 HA ILE 24 -3.753 -8.638 -0.737 139 HB ILE 24 HB ILE 24 -1.361 -7.123 -1.784 140 HG12 ILE 24 1HG1 ILE 24 -1.755 -9.119 0.443 141 HG13 ILE 24 2HG1 ILE 24 -0.663 -9.234 -0.933 142 HG21 ILE 24 1HG2 ILE 24 -3.032 -6.696 0.683 143 HG22 ILE 24 2HG2 ILE 24 -1.421 -6.014 0.465 144 HG23 ILE 24 3HG2 ILE 24 -2.728 -5.556 -0.627 145 HD11 ILE 24 3HD1 ILE 24 0.580 -7.281 0.010 146 HD12 ILE 24 1HD1 ILE 24 -0.426 -7.423 1.452 147 HD13 ILE 24 2HD1 ILE 24 0.640 -8.749 0.985 148 H LEU 25 H LEU 25 -5.697 -7.797 -1.198 149 HA LEU 25 HA LEU 25 -6.005 -5.825 -3.304 150 HB2 LEU 25 1HB LEU 25 -7.637 -7.699 -2.838 151 HB3 LEU 25 2HB LEU 25 -8.108 -6.810 -1.391 152 HG LEU 25 HG LEU 25 -8.756 -4.902 -2.882 153 HD11 LEU 25 1HD1 LEU 25 -8.861 -5.116 -5.191 154 HD12 LEU 25 2HD1 LEU 25 -8.696 -6.871 -5.137 155 HD13 LEU 25 3HD1 LEU 25 -7.305 -5.844 -4.791 156 HD21 LEU 25 3HD2 LEU 25 -10.863 -5.693 -2.980 157 HD22 LEU 25 1HD2 LEU 25 -10.179 -7.053 -2.088 158 HD23 LEU 25 2HD2 LEU 25 -10.388 -7.160 -3.836 159 H ILE 26 H ILE 26 -5.252 -3.861 -2.758 160 HA ILE 26 HA ILE 26 -5.842 -2.786 -0.100 161 HB ILE 26 HB ILE 26 -4.156 -1.498 -2.242 162 HG12 ILE 26 1HG1 ILE 26 -2.933 -2.943 0.064 163 HG13 ILE 26 2HG1 ILE 26 -3.513 -3.899 -1.295 164 HG21 ILE 26 1HG2 ILE 26 -4.550 -1.043 0.698 165 HG22 ILE 26 2HG2 ILE 26 -3.120 -0.457 -0.151 166 HG23 ILE 26 3HG2 ILE 26 -4.722 0.104 -0.631 167 HD11 ILE 26 3HD1 ILE 26 -1.970 -1.685 -2.250 168 HD12 ILE 26 1HD1 ILE 26 -1.058 -2.589 -1.042 169 HD13 ILE 26 2HD1 ILE 26 -1.701 -3.415 -2.462 170 H THR 27 H THR 27 -7.711 -1.751 0.092 171 HA THR 27 HA THR 27 -8.675 -0.138 -2.176 172 HB THR 27 HB THR 27 -10.923 -0.311 -1.154 173 HG1 THR 27 1HG THR 27 -10.112 -2.405 0.497 174 HG21 THR 27 3HG2 THR 27 -10.995 -1.958 -2.672 175 HG22 THR 27 1HG2 THR 27 -10.777 -3.056 -1.310 176 HG23 THR 27 2HG2 THR 27 -9.382 -2.532 -2.252 177 H TRP 28 H TRP 28 -7.826 1.851 -1.812 178 HA TRP 28 HA TRP 28 -8.255 3.055 0.839 179 HB2 TRP 28 1HB TRP 28 -6.482 4.626 0.280 180 HB3 TRP 28 2HB TRP 28 -5.907 2.975 0.062 181 HD1 TRP 28 HD TRP 28 -6.269 6.220 -1.744 182 HE1 TRP 28 1HE TRP 28 -5.522 5.953 -4.193 183 HE3 TRP 28 3HE TRP 28 -5.973 1.121 -1.950 184 HZ2 TRP 28 2HZ TRP 28 -4.892 3.857 -5.976 185 HZ3 TRP 28 3HZ TRP 28 -5.291 0.063 -4.064 186 HH2 TRP 28 HH TRP 28 -4.763 1.405 -6.035 187 H GLU 29 H GLU 29 -8.390 5.600 0.566 188 HA GLU 29 HA GLU 29 -10.064 6.355 -1.694 189 HB2 GLU 29 1HB GLU 29 -11.027 6.042 1.097 190 HB3 GLU 29 2HB GLU 29 -11.575 7.466 0.224 191 HG2 GLU 29 1HG GLU 29 -12.391 5.990 -1.585 192 HG3 GLU 29 2HG GLU 29 -11.941 4.597 -0.602 193 HA PRO 30 HA PRO 30 -8.168 10.288 -1.280 194 HB2 PRO 30 1HB PRO 30 -10.186 12.001 -1.881 195 HB3 PRO 30 2HB PRO 30 -9.401 10.979 -3.091 196 HG2 PRO 30 1HG PRO 30 -11.992 10.561 -1.651 197 HG3 PRO 30 2HG PRO 30 -11.611 10.307 -3.364 198 HD2 PRO 30 1HD PRO 30 -11.724 8.273 -1.580 199 HD3 PRO 30 2HD PRO 30 -10.620 8.263 -2.970 200 HA PRO 31 HA PRO 31 -8.974 11.545 2.910 201 HB2 PRO 31 1HB PRO 31 -7.084 13.490 3.019 202 HB3 PRO 31 2HB PRO 31 -6.696 11.768 3.112 203 HG2 PRO 31 1HG PRO 31 -6.539 13.621 0.766 204 HG3 PRO 31 2HG PRO 31 -5.385 12.381 1.292 205 HD2 PRO 31 1HD PRO 31 -7.140 11.974 -0.730 206 HD3 PRO 31 2HD PRO 31 -6.603 10.668 0.345 207 H ALA 32 H ALA 32 -10.105 13.153 3.931 208 HA ALA 32 HA ALA 32 -11.394 15.108 2.228 209 HB1 ALA 32 3HB ALA 32 -13.084 14.799 3.628 210 HB2 ALA 32 1HB ALA 32 -12.079 13.716 4.592 211 HB3 ALA 32 2HB ALA 32 -12.122 15.441 4.959 212 H TYR 33 H TYR 33 -9.276 15.111 5.072 213 HA TYR 33 HA TYR 33 -9.013 18.016 4.893 214 HB2 TYR 33 1HB TYR 33 -7.475 17.445 6.988 215 HB3 TYR 33 2HB TYR 33 -9.226 17.559 7.127 216 HD1 TYR 33 2HD TYR 33 -6.633 14.994 6.292 217 HD2 TYR 33 1HD TYR 33 -10.299 15.869 8.267 218 HE1 TYR 33 2HE TYR 33 -6.708 12.694 7.160 219 HE2 TYR 33 1HE TYR 33 -10.383 13.572 9.142 220 HH TYR 33 HH TYR 33 -8.983 11.712 9.569 221 H ALA 34 H ALA 34 -7.914 17.458 2.730 222 HA ALA 34 HA ALA 34 -5.034 17.033 3.195 223 HB1 ALA 34 3HB ALA 34 -6.478 16.585 0.593 224 HB2 ALA 34 1HB ALA 34 -4.833 16.111 1.015 225 HB3 ALA 34 2HB ALA 34 -6.206 15.316 1.787 226 H ASN 35 H ASN 35 -3.568 18.440 2.277 227 HA ASN 35 HA ASN 35 -4.503 21.093 1.789 228 HB2 ASN 35 1HB ASN 35 -2.295 20.403 2.886 229 HB3 ASN 35 2HB ASN 35 -1.708 20.095 1.255 230 HD21 ASN 35 1HD2 ASN 35 -2.048 22.369 3.665 231 HD22 ASN 35 2HD2 ASN 35 -1.713 23.790 2.741 232 H GLY 36 H GLY 36 -5.874 20.756 -0.053 233 HA2 GLY 36 1HA GLY 36 -6.090 21.353 -2.316 234 HA3 GLY 36 2HA GLY 36 -4.386 20.993 -2.550 235 HA PRO 37 HA PRO 37 -6.789 17.574 -4.507 236 HB2 PRO 37 1HB PRO 37 -5.203 17.420 -6.705 237 HB3 PRO 37 2HB PRO 37 -6.561 18.544 -6.577 238 HG2 PRO 37 1HG PRO 37 -3.639 19.048 -6.164 239 HG3 PRO 37 2HG PRO 37 -4.836 20.040 -7.017 240 HD2 PRO 37 1HD PRO 37 -4.017 20.592 -4.496 241 HD3 PRO 37 2HD PRO 37 -5.660 20.948 -5.065 242 H VAL 38 H VAL 38 -5.590 15.590 -5.728 243 HA VAL 38 HA VAL 38 -3.235 14.826 -4.145 244 HB VAL 38 HB VAL 38 -5.692 13.118 -4.559 245 HG11 VAL 38 1HG1 VAL 38 -3.038 12.283 -4.400 246 HG12 VAL 38 2HG1 VAL 38 -3.698 12.024 -2.784 247 HG13 VAL 38 3HG1 VAL 38 -4.480 11.291 -4.185 248 HG21 VAL 38 3HG2 VAL 38 -5.057 14.964 -2.554 249 HG22 VAL 38 1HG2 VAL 38 -6.342 13.756 -2.531 250 HG23 VAL 38 2HG2 VAL 38 -4.762 13.375 -1.848 251 H GLN 39 H GLN 39 -1.841 14.981 -5.867 252 HA GLN 39 HA GLN 39 -2.120 14.379 -8.480 253 HB2 GLN 39 1HB GLN 39 0.202 13.881 -6.636 254 HB3 GLN 39 2HB GLN 39 0.309 13.511 -8.352 255 HG2 GLN 39 1HG GLN 39 -0.585 16.217 -7.476 256 HG3 GLN 39 2HG GLN 39 1.128 15.805 -7.452 257 HE21 GLN 39 1HE2 GLN 39 2.127 16.531 -9.175 258 HE22 GLN 39 2HE2 GLN 39 1.497 16.575 -10.783 259 H GLY 40 H GLY 40 -1.491 12.010 -5.911 260 HA2 GLY 40 1HA GLY 40 -2.982 9.966 -7.125 261 HA3 GLY 40 2HA GLY 40 -1.295 9.745 -7.566 262 H TYR 41 H TYR 41 -1.012 7.847 -6.430 263 HA TYR 41 HA TYR 41 -0.669 8.183 -3.561 264 HB2 TYR 41 1HB TYR 41 -2.270 5.855 -4.629 265 HB3 TYR 41 2HB TYR 41 -1.967 6.261 -2.943 266 HD1 TYR 41 1HD TYR 41 -3.906 7.100 -5.939 267 HD2 TYR 41 2HD TYR 41 -3.212 8.026 -1.845 268 HE1 TYR 41 1HE TYR 41 -5.989 8.406 -5.888 269 HE2 TYR 41 2HE TYR 41 -5.294 9.334 -1.782 270 HH TYR 41 HH TYR 41 -6.773 10.552 -4.170 271 H ARG 42 H ARG 42 1.042 7.073 -2.785 272 HA ARG 42 HA ARG 42 2.428 5.282 -4.665 273 HB2 ARG 42 1HB ARG 42 3.395 7.235 -2.618 274 HB3 ARG 42 2HB ARG 42 4.395 5.841 -3.002 275 HG2 ARG 42 1HG ARG 42 4.837 6.565 -5.127 276 HG3 ARG 42 2HG ARG 42 3.345 7.501 -5.235 277 HD2 ARG 42 1HD ARG 42 4.458 8.916 -3.333 278 HD3 ARG 42 2HD ARG 42 5.947 8.209 -3.958 279 HE ARG 42 HE ARG 42 4.432 9.272 -6.083 280 HH11 ARG 42 1HH1 ARG 42 6.359 10.271 -3.362 281 HH12 ARG 42 2HH1 ARG 42 6.839 11.770 -4.086 282 HH21 ARG 42 1HH2 ARG 42 5.057 11.242 -7.047 283 HH22 ARG 42 2HH2 ARG 42 6.097 12.322 -6.182 284 H LEU 43 H LEU 43 2.896 3.236 -4.088 285 HA LEU 43 HA LEU 43 2.162 2.405 -1.358 286 HB2 LEU 43 1HB LEU 43 0.633 1.401 -2.834 287 HB3 LEU 43 2HB LEU 43 1.893 1.014 -4.004 288 HG LEU 43 HG LEU 43 2.797 -0.595 -2.237 289 HD11 LEU 43 1HD1 LEU 43 0.164 0.165 -1.036 290 HD12 LEU 43 2HD1 LEU 43 1.737 -0.009 -0.259 291 HD13 LEU 43 3HD1 LEU 43 0.847 -1.440 -0.776 292 HD21 LEU 43 3HD2 LEU 43 1.640 -2.308 -3.209 293 HD22 LEU 43 1HD2 LEU 43 1.263 -1.011 -4.343 294 HD23 LEU 43 2HD2 LEU 43 0.091 -1.470 -3.107 295 H PHE 44 H PHE 44 3.527 1.080 -0.221 296 HA PHE 44 HA PHE 44 6.064 0.340 -1.511 297 HB2 PHE 44 1HB PHE 44 5.868 1.397 1.312 298 HB3 PHE 44 2HB PHE 44 7.331 1.063 0.392 299 HD1 PHE 44 2HD PHE 44 7.497 2.407 -1.888 300 HD2 PHE 44 1HD PHE 44 5.174 3.573 1.482 301 HE1 PHE 44 2HE PHE 44 7.536 4.738 -2.673 302 HE2 PHE 44 1HE PHE 44 5.208 5.906 0.703 303 HZ PHE 44 HZ PHE 44 6.391 6.492 -1.377 304 H CYS 45 H CYS 45 6.175 -1.800 -1.498 305 HA CYS 45 HA CYS 45 4.962 -3.286 0.720 306 HB2 CYS 45 1HB CYS 45 4.183 -3.991 -1.448 307 HB3 CYS 45 2HB CYS 45 5.832 -4.155 -2.040 308 HG CYS 45 HG CYS 45 5.409 -6.049 0.623 309 H THR 46 H THR 46 6.198 -4.149 2.242 310 HA THR 46 HA THR 46 9.032 -4.679 1.625 311 HB THR 46 HB THR 46 7.951 -3.703 4.276 312 HG1 THR 46 1HG THR 46 8.613 -2.353 2.052 313 HG21 THR 46 3HG2 THR 46 9.985 -5.200 4.302 314 HG22 THR 46 1HG2 THR 46 10.214 -3.599 5.005 315 HG23 THR 46 2HG2 THR 46 10.821 -3.946 3.386 316 H GLU 47 H GLU 47 9.694 -6.695 1.997 317 HA GLU 47 HA GLU 47 7.852 -8.593 3.173 318 HB2 GLU 47 1HB GLU 47 9.147 -9.112 1.112 319 HB3 GLU 47 2HB GLU 47 10.625 -9.054 2.062 320 HG2 GLU 47 1HG GLU 47 9.978 -10.956 3.333 321 HG3 GLU 47 2HG GLU 47 8.356 -10.936 2.643 322 H VAL 48 H VAL 48 7.806 -8.970 5.278 323 HA VAL 48 HA VAL 48 9.790 -8.061 7.082 324 HB VAL 48 HB VAL 48 7.597 -10.081 7.573 325 HG11 VAL 48 1HG1 VAL 48 7.832 -9.336 9.935 326 HG12 VAL 48 2HG1 VAL 48 9.243 -10.196 9.315 327 HG13 VAL 48 3HG1 VAL 48 9.274 -8.438 9.463 328 HG21 VAL 48 3HG2 VAL 48 7.513 -7.152 8.235 329 HG22 VAL 48 1HG2 VAL 48 6.940 -7.779 6.689 330 HG23 VAL 48 2HG2 VAL 48 6.184 -8.310 8.191 331 H SER 49 H SER 49 9.278 -11.069 5.410 332 HA SER 49 HA SER 49 10.826 -12.764 7.031 333 HB2 SER 49 1HB SER 49 9.316 -13.609 5.285 334 HB3 SER 49 2HB SER 49 10.354 -12.910 4.043 335 HG SER 49 HG SER 49 10.882 -15.069 4.280 336 H THR 50 H THR 50 11.705 -10.910 4.126 337 HA THR 50 HA THR 50 14.532 -11.472 4.642 338 HB THR 50 HB THR 50 14.923 -10.434 2.413 339 HG1 THR 50 1HG THR 50 13.307 -9.551 1.327 340 HG21 THR 50 3HG2 THR 50 13.790 -12.935 3.009 341 HG22 THR 50 1HG2 THR 50 14.724 -12.492 1.581 342 HG23 THR 50 2HG2 THR 50 12.966 -12.358 1.561 343 H GLY 51 H GLY 51 12.477 -8.664 3.832 344 HA2 GLY 51 1HA GLY 51 12.623 -6.732 5.367 345 HA3 GLY 51 2HA GLY 51 14.360 -7.000 5.390 346 H LYS 52 H LYS 52 13.015 -7.531 2.337 347 HA LYS 52 HA LYS 52 14.279 -5.133 1.316 348 HB2 LYS 52 1HB LYS 52 12.972 -7.507 -0.008 349 HB3 LYS 52 2HB LYS 52 13.554 -6.119 -0.918 350 HG2 LYS 52 1HG LYS 52 15.786 -6.588 0.351 351 HG3 LYS 52 2HG LYS 52 15.093 -8.198 0.561 352 HD2 LYS 52 1HD LYS 52 14.679 -8.157 -1.959 353 HD3 LYS 52 2HD LYS 52 15.763 -6.764 -1.995 354 HE2 LYS 52 1HE LYS 52 16.664 -9.220 -0.579 355 HE3 LYS 52 2HE LYS 52 16.650 -9.233 -2.342 356 HZ1 LYS 52 3HZ LYS 52 17.814 -6.839 -1.360 357 HZ2 LYS 52 1HZ LYS 52 18.479 -8.008 -2.387 358 HZ3 LYS 52 2HZ LYS 52 18.604 -8.187 -0.710 359 H GLU 53 H GLU 53 13.262 -3.475 0.204 360 HA GLU 53 HA GLU 53 10.328 -3.385 0.473 361 HB2 GLU 53 1HB GLU 53 11.275 -1.817 2.021 362 HB3 GLU 53 2HB GLU 53 12.357 -1.175 0.794 363 HG2 GLU 53 1HG GLU 53 10.395 -0.339 -0.449 364 HG3 GLU 53 2HG GLU 53 9.362 -0.902 0.864 365 H GLN 54 H GLN 54 9.146 -2.789 -1.270 366 HA GLN 54 HA GLN 54 10.604 -1.929 -3.677 367 HB2 GLN 54 1HB GLN 54 9.304 -3.373 -5.058 368 HB3 GLN 54 2HB GLN 54 9.932 -4.353 -3.739 369 HG2 GLN 54 1HG GLN 54 7.756 -4.123 -2.588 370 HG3 GLN 54 2HG GLN 54 7.143 -3.256 -3.995 371 HE21 GLN 54 1HE2 GLN 54 5.623 -5.199 -3.613 372 HE22 GLN 54 2HE2 GLN 54 5.974 -6.603 -4.555 373 H ASN 55 H ASN 55 9.892 -0.065 -4.456 374 HA ASN 55 HA ASN 55 7.397 1.046 -3.478 375 HB2 ASN 55 1HB ASN 55 9.413 2.282 -5.365 376 HB3 ASN 55 2HB ASN 55 8.127 3.119 -4.501 377 HD21 ASN 55 1HD2 ASN 55 10.777 3.888 -4.342 378 HD22 ASN 55 2HD2 ASN 55 11.350 3.605 -2.737 379 H ILE 56 H ILE 56 5.609 1.520 -4.693 380 HA ILE 56 HA ILE 56 5.647 0.873 -7.548 381 HB ILE 56 HB ILE 56 3.635 -0.271 -5.607 382 HG12 ILE 56 1HG1 ILE 56 5.494 -1.790 -7.428 383 HG13 ILE 56 2HG1 ILE 56 5.964 -1.335 -5.794 384 HG21 ILE 56 1HG2 ILE 56 2.636 -1.349 -7.551 385 HG22 ILE 56 2HG2 ILE 56 2.607 0.406 -7.720 386 HG23 ILE 56 3HG2 ILE 56 3.799 -0.545 -8.605 387 HD11 ILE 56 3HD1 ILE 56 4.280 -2.682 -4.838 388 HD12 ILE 56 1HD1 ILE 56 3.492 -2.927 -6.396 389 HD13 ILE 56 2HD1 ILE 56 5.064 -3.660 -6.078 390 H GLU 57 H GLU 57 4.200 2.025 -8.783 391 HA GLU 57 HA GLU 57 2.689 4.110 -7.353 392 HB2 GLU 57 1HB GLU 57 4.317 4.143 -9.836 393 HB3 GLU 57 2HB GLU 57 2.865 5.135 -9.824 394 HG2 GLU 57 1HG GLU 57 3.826 5.954 -7.526 395 HG3 GLU 57 2HG GLU 57 5.349 5.386 -8.210 396 H VAL 58 H VAL 58 0.610 3.559 -7.263 397 HA VAL 58 HA VAL 58 -0.634 2.402 -9.672 398 HB VAL 58 HB VAL 58 -2.305 1.373 -8.239 399 HG11 VAL 58 1HG1 VAL 58 -0.938 -0.314 -7.206 400 HG12 VAL 58 2HG1 VAL 58 -0.176 0.185 -8.718 401 HG13 VAL 58 3HG1 VAL 58 0.452 0.771 -7.177 402 HG21 VAL 58 3HG2 VAL 58 -0.967 1.828 -5.696 403 HG22 VAL 58 1HG2 VAL 58 -1.603 3.311 -6.409 404 HG23 VAL 58 2HG2 VAL 58 -2.677 1.943 -6.112 405 H ASP 59 H ASP 59 -2.992 2.913 -9.884 406 HA ASP 59 HA ASP 59 -3.701 5.545 -8.801 407 HB2 ASP 59 1HB ASP 59 -4.630 6.060 -11.156 408 HB3 ASP 59 2HB ASP 59 -2.895 6.216 -10.895 409 H GLY 60 H GLY 60 -5.756 5.671 -8.132 410 HA2 GLY 60 1HA GLY 60 -8.122 5.110 -8.846 411 HA3 GLY 60 2HA GLY 60 -7.551 3.447 -8.876 412 H LEU 61 H LEU 61 -9.420 3.218 -7.371 413 HA LEU 61 HA LEU 61 -8.651 3.932 -4.618 414 HB2 LEU 61 1HB LEU 61 -11.390 3.358 -5.739 415 HB3 LEU 61 2HB LEU 61 -11.033 3.716 -4.051 416 HG LEU 61 HG LEU 61 -10.427 5.666 -6.257 417 HD11 LEU 61 1HD1 LEU 61 -12.837 6.099 -4.630 418 HD12 LEU 61 2HD1 LEU 61 -12.947 4.801 -5.818 419 HD13 LEU 61 3HD1 LEU 61 -12.537 6.436 -6.336 420 HD21 LEU 61 3HD2 LEU 61 -11.119 6.343 -3.436 421 HD22 LEU 61 1HD2 LEU 61 -10.099 7.208 -4.587 422 HD23 LEU 61 2HD2 LEU 61 -9.503 5.742 -3.809 423 H SER 62 H SER 62 -7.939 1.557 -6.350 424 HA SER 62 HA SER 62 -8.016 -0.407 -4.331 425 HB2 SER 62 1HB SER 62 -9.574 -1.997 -5.188 426 HB3 SER 62 2HB SER 62 -10.425 -0.454 -5.137 427 HG SER 62 HG SER 62 -10.314 -0.302 -7.303 428 H TYR 63 H TYR 63 -6.464 -1.891 -4.694 429 HA TYR 63 HA TYR 63 -5.568 -2.424 -7.417 430 HB2 TYR 63 1HB TYR 63 -4.225 -0.492 -6.626 431 HB3 TYR 63 2HB TYR 63 -3.668 -1.462 -5.267 432 HD1 TYR 63 2HD TYR 63 -2.247 -3.480 -5.709 433 HD2 TYR 63 1HD TYR 63 -3.215 -0.678 -8.761 434 HE1 TYR 63 2HE TYR 63 -0.391 -4.337 -7.076 435 HE2 TYR 63 1HE TYR 63 -1.362 -1.527 -10.137 436 HH TYR 63 HH TYR 63 0.981 -3.765 -8.884 437 H LYS 64 H LYS 64 -5.420 -4.546 -7.621 438 HA LYS 64 HA LYS 64 -5.105 -6.215 -5.253 439 HB2 LYS 64 1HB LYS 64 -6.813 -6.555 -7.199 440 HB3 LYS 64 2HB LYS 64 -5.446 -7.279 -8.036 441 HG2 LYS 64 1HG LYS 64 -5.230 -8.674 -5.829 442 HG3 LYS 64 2HG LYS 64 -6.930 -8.237 -5.641 443 HD2 LYS 64 1HD LYS 64 -7.050 -9.033 -8.156 444 HD3 LYS 64 2HD LYS 64 -5.618 -9.955 -7.690 445 HE2 LYS 64 1HE LYS 64 -6.779 -11.234 -6.160 446 HE3 LYS 64 2HE LYS 64 -8.044 -10.024 -5.950 447 HZ1 LYS 64 3HZ LYS 64 -9.092 -11.629 -7.195 448 HZ2 LYS 64 1HZ LYS 64 -7.713 -12.004 -8.101 449 HZ3 LYS 64 2HZ LYS 64 -8.562 -10.573 -8.406 450 H LEU 65 H LEU 65 -3.103 -6.668 -4.624 451 HA LEU 65 HA LEU 65 -0.889 -6.622 -6.473 452 HB2 LEU 65 1HB LEU 65 -1.072 -6.000 -3.881 453 HB3 LEU 65 2HB LEU 65 -0.553 -7.677 -3.725 454 HG LEU 65 HG LEU 65 1.309 -6.864 -5.435 455 HD11 LEU 65 1HD1 LEU 65 1.824 -4.474 -4.221 456 HD12 LEU 65 2HD1 LEU 65 0.076 -4.407 -4.444 457 HD13 LEU 65 3HD1 LEU 65 1.132 -4.671 -5.832 458 HD21 LEU 65 3HD2 LEU 65 1.334 -6.353 -2.463 459 HD22 LEU 65 1HD2 LEU 65 2.761 -6.440 -3.495 460 HD23 LEU 65 2HD2 LEU 65 1.746 -7.865 -3.273 461 H GLU 66 H GLU 66 0.458 -8.359 -7.002 462 HA GLU 66 HA GLU 66 -0.362 -11.042 -6.214 463 HB2 GLU 66 1HB GLU 66 -0.079 -10.341 -9.135 464 HB3 GLU 66 2HB GLU 66 -0.626 -11.862 -8.444 465 HG2 GLU 66 1HG GLU 66 -2.602 -10.661 -7.530 466 HG3 GLU 66 2HG GLU 66 -2.075 -9.227 -8.409 467 H GLY 67 H GLY 67 1.212 -12.692 -6.819 468 HA2 GLY 67 1HA GLY 67 3.357 -13.393 -7.500 469 HA3 GLY 67 2HA GLY 67 3.827 -11.709 -7.676 470 H LEU 68 H LEU 68 2.234 -12.929 -4.813 471 HA LEU 68 HA LEU 68 4.661 -12.317 -3.282 472 HB2 LEU 68 1HB LEU 68 1.830 -12.680 -2.315 473 HB3 LEU 68 2HB LEU 68 3.204 -12.156 -1.344 474 HG LEU 68 HG LEU 68 2.516 -10.508 -3.711 475 HD11 LEU 68 1HD1 LEU 68 0.774 -10.796 -1.290 476 HD12 LEU 68 2HD1 LEU 68 0.314 -10.740 -2.991 477 HD13 LEU 68 3HD1 LEU 68 0.867 -9.276 -2.179 478 HD21 LEU 68 3HD2 LEU 68 4.394 -10.138 -2.004 479 HD22 LEU 68 1HD2 LEU 68 3.111 -9.632 -0.905 480 HD23 LEU 68 2HD2 LEU 68 3.370 -8.762 -2.417 481 H LYS 69 H LYS 69 4.359 -13.690 -1.009 482 HA LYS 69 HA LYS 69 4.807 -16.436 -1.874 483 HB2 LYS 69 1HB LYS 69 5.467 -14.860 0.585 484 HB3 LYS 69 2HB LYS 69 5.447 -16.616 0.665 485 HG2 LYS 69 1HG LYS 69 7.161 -16.784 -0.985 486 HG3 LYS 69 2HG LYS 69 7.075 -15.054 -1.324 487 HD2 LYS 69 1HD LYS 69 8.962 -15.295 0.048 488 HD3 LYS 69 2HD LYS 69 7.694 -14.723 1.135 489 HE2 LYS 69 1HE LYS 69 7.345 -16.923 1.997 490 HE3 LYS 69 2HE LYS 69 8.394 -17.630 0.769 491 HZ1 LYS 69 3HZ LYS 69 9.321 -15.717 2.840 492 HZ2 LYS 69 1HZ LYS 69 10.283 -16.589 1.754 493 HZ3 LYS 69 2HZ LYS 69 9.445 -17.398 2.981 494 H LYS 70 H LYS 70 3.615 -18.176 -1.237 495 HA LYS 70 HA LYS 70 0.990 -18.213 -0.931 496 HB2 LYS 70 1HB LYS 70 2.721 -20.162 -0.782 497 HB3 LYS 70 2HB LYS 70 2.525 -19.970 0.955 498 HG2 LYS 70 1HG LYS 70 0.386 -20.758 0.944 499 HG3 LYS 70 2HG LYS 70 0.078 -20.221 -0.709 500 HD2 LYS 70 1HD LYS 70 1.950 -22.479 -0.022 501 HD3 LYS 70 2HD LYS 70 0.240 -22.715 -0.389 502 HE2 LYS 70 1HE LYS 70 0.674 -21.495 -2.561 503 HE3 LYS 70 2HE LYS 70 2.393 -21.628 -2.191 504 HZ1 LYS 70 3HZ LYS 70 2.402 -23.712 -2.905 505 HZ2 LYS 70 1HZ LYS 70 0.813 -23.505 -3.447 506 HZ3 LYS 70 2HZ LYS 70 1.105 -24.139 -1.907 507 H PHE 71 H PHE 71 2.874 -18.533 2.073 508 HA PHE 71 HA PHE 71 0.990 -16.683 3.368 509 HB2 PHE 71 1HB PHE 71 0.418 -19.061 3.889 510 HB3 PHE 71 2HB PHE 71 2.011 -19.240 4.617 511 HD1 PHE 71 1HD PHE 71 2.595 -17.583 6.519 512 HD2 PHE 71 2HD PHE 71 -1.367 -18.386 5.186 513 HE1 PHE 71 1HE PHE 71 1.710 -16.758 8.662 514 HE2 PHE 71 2HE PHE 71 -2.258 -17.561 7.326 515 HZ PHE 71 HZ PHE 71 -0.719 -16.745 9.067 516 H THR 72 H THR 72 2.310 -14.969 3.647 517 HA THR 72 HA THR 72 4.513 -15.271 5.514 518 HB THR 72 HB THR 72 4.924 -14.159 2.735 519 HG1 THR 72 1HG THR 72 5.269 -16.555 3.669 520 HG21 THR 72 3HG2 THR 72 6.225 -13.490 5.245 521 HG22 THR 72 1HG2 THR 72 6.362 -12.720 3.666 522 HG23 THR 72 2HG2 THR 72 7.361 -14.121 4.053 523 H GLU 73 H GLU 73 4.162 -13.775 7.007 524 HA GLU 73 HA GLU 73 2.375 -11.665 6.822 525 HB2 GLU 73 1HB GLU 73 3.112 -12.456 8.971 526 HB3 GLU 73 2HB GLU 73 4.778 -12.018 8.617 527 HG2 GLU 73 1HG GLU 73 4.387 -9.761 8.905 528 HG3 GLU 73 2HG GLU 73 2.653 -9.922 8.635 529 H TYR 74 H TYR 74 2.461 -10.071 5.380 530 HA TYR 74 HA TYR 74 5.066 -8.856 4.761 531 HB2 TYR 74 1HB TYR 74 2.505 -9.121 3.227 532 HB3 TYR 74 2HB TYR 74 3.619 -7.813 2.843 533 HD1 TYR 74 2HD TYR 74 6.050 -8.467 2.302 534 HD2 TYR 74 1HD TYR 74 2.827 -11.245 2.316 535 HE1 TYR 74 2HE TYR 74 7.371 -9.998 0.902 536 HE2 TYR 74 1HE TYR 74 4.140 -12.784 0.917 537 HH TYR 74 HH TYR 74 5.979 -12.893 -0.475 538 H SER 75 H SER 75 5.194 -6.541 4.557 539 HA SER 75 HA SER 75 3.142 -5.086 6.085 540 HB2 SER 75 1HB SER 75 5.072 -3.697 7.008 541 HB3 SER 75 2HB SER 75 4.924 -5.337 7.638 542 HG SER 75 HG SER 75 6.595 -4.705 5.445 543 H LEU 76 H LEU 76 2.217 -3.740 4.689 544 HA LEU 76 HA LEU 76 3.879 -2.442 2.644 545 HB2 LEU 76 1HB LEU 76 0.879 -2.449 2.735 546 HB3 LEU 76 2HB LEU 76 1.932 -2.124 1.359 547 HG LEU 76 HG LEU 76 1.480 -4.809 2.663 548 HD11 LEU 76 1HD1 LEU 76 -0.442 -4.162 1.395 549 HD12 LEU 76 2HD1 LEU 76 0.462 -5.351 0.458 550 HD13 LEU 76 3HD1 LEU 76 0.562 -3.640 0.043 551 HD21 LEU 76 3HD2 LEU 76 3.771 -4.519 1.801 552 HD22 LEU 76 1HD2 LEU 76 3.105 -4.099 0.223 553 HD23 LEU 76 2HD2 LEU 76 2.850 -5.714 0.885 554 H ARG 77 H ARG 77 3.112 -0.177 2.051 555 HA ARG 77 HA ARG 77 2.121 1.342 4.340 556 HB2 ARG 77 1HB ARG 77 4.661 1.216 4.411 557 HB3 ARG 77 2HB ARG 77 4.657 2.166 2.931 558 HG2 ARG 77 1HG ARG 77 3.609 4.009 4.038 559 HG3 ARG 77 2HG ARG 77 3.368 3.051 5.501 560 HD2 ARG 77 1HD ARG 77 5.255 4.510 5.819 561 HD3 ARG 77 2HD ARG 77 5.826 2.845 5.716 562 HE ARG 77 HE ARG 77 6.100 3.656 3.188 563 HH11 ARG 77 1HH1 ARG 77 7.003 5.166 6.191 564 HH12 ARG 77 2HH1 ARG 77 8.360 6.003 5.513 565 HH21 ARG 77 1HH2 ARG 77 7.883 4.753 2.283 566 HH22 ARG 77 2HH2 ARG 77 8.859 5.768 3.290 567 H PHE 78 H PHE 78 0.812 2.964 3.749 568 HA PHE 78 HA PHE 78 0.864 3.829 0.934 569 HB2 PHE 78 1HB PHE 78 -1.110 2.302 1.863 570 HB3 PHE 78 2HB PHE 78 -1.715 3.857 2.426 571 HD1 PHE 78 1HD PHE 78 -0.520 2.095 -0.616 572 HD2 PHE 78 2HD PHE 78 -2.878 5.257 0.984 573 HE1 PHE 78 1HE PHE 78 -1.432 2.544 -2.857 574 HE2 PHE 78 2HE PHE 78 -3.794 5.711 -1.253 575 HZ PHE 78 HZ PHE 78 -3.072 4.354 -3.177 576 H LEU 79 H LEU 79 0.429 5.992 0.519 577 HA LEU 79 HA LEU 79 -0.277 7.801 2.646 578 HB2 LEU 79 1HB LEU 79 1.714 9.055 2.738 579 HB3 LEU 79 2HB LEU 79 2.185 7.368 2.928 580 HG LEU 79 HG LEU 79 2.603 7.546 0.329 581 HD11 LEU 79 1HD1 LEU 79 1.797 9.761 -0.023 582 HD12 LEU 79 2HD1 LEU 79 3.552 9.799 -0.190 583 HD13 LEU 79 3HD1 LEU 79 2.794 10.395 1.287 584 HD21 LEU 79 3HD2 LEU 79 4.250 7.036 2.124 585 HD22 LEU 79 1HD2 LEU 79 4.519 8.769 2.309 586 HD23 LEU 79 2HD2 LEU 79 4.918 7.974 0.787 587 H ALA 80 H ALA 80 -0.586 9.997 1.890 588 HA ALA 80 HA ALA 80 -1.314 10.045 -0.944 589 HB1 ALA 80 3HB ALA 80 -2.652 10.885 1.321 590 HB2 ALA 80 1HB ALA 80 -2.073 12.385 0.595 591 HB3 ALA 80 2HB ALA 80 -3.072 11.277 -0.347 592 H TYR 81 H TYR 81 -0.428 11.416 -2.400 593 HA TYR 81 HA TYR 81 1.493 13.419 -1.436 594 HB2 TYR 81 1HB TYR 81 3.143 12.770 -3.036 595 HB3 TYR 81 2HB TYR 81 2.651 11.308 -2.189 596 HD1 TYR 81 1HD TYR 81 2.042 13.238 -5.313 597 HD2 TYR 81 2HD TYR 81 1.921 9.444 -3.391 598 HE1 TYR 81 1HE TYR 81 1.532 12.169 -7.468 599 HE2 TYR 81 2HE TYR 81 1.412 8.364 -5.542 600 HH TYR 81 HH TYR 81 1.950 9.189 -8.188 601 H ASN 82 H ASN 82 1.282 15.353 -2.372 602 HA ASN 82 HA ASN 82 -0.341 15.530 -4.826 603 HB2 ASN 82 1HB ASN 82 -1.195 17.660 -4.049 604 HB3 ASN 82 2HB ASN 82 -1.471 16.443 -2.806 605 HD21 ASN 82 1HD2 ASN 82 -1.590 17.918 -1.150 606 HD22 ASN 82 2HD2 ASN 82 -0.215 18.790 -0.571 607 H ARG 83 H ARG 83 0.025 18.013 -5.654 608 HA ARG 83 HA ARG 83 2.412 18.046 -6.998 609 HB2 ARG 83 1HB ARG 83 1.964 20.312 -7.573 610 HB3 ARG 83 2HB ARG 83 0.405 19.516 -7.410 611 HG2 ARG 83 1HG ARG 83 0.191 20.463 -5.144 612 HG3 ARG 83 2HG ARG 83 1.714 21.320 -5.388 613 HD2 ARG 83 1HD ARG 83 -0.701 21.627 -7.163 614 HD3 ARG 83 2HD ARG 83 -0.337 22.690 -5.805 615 HE ARG 83 HE ARG 83 1.883 22.531 -7.548 616 HH11 ARG 83 1HH1 ARG 83 -1.304 23.910 -7.297 617 HH12 ARG 83 2HH1 ARG 83 -0.946 25.253 -8.332 618 HH21 ARG 83 1HH2 ARG 83 2.366 24.294 -8.912 619 HH22 ARG 83 2HH2 ARG 83 1.141 25.470 -9.251 620 H TYR 84 H TYR 84 1.707 19.372 -3.811 621 HA TYR 84 HA TYR 84 4.180 20.717 -3.471 622 HB2 TYR 84 1HB TYR 84 2.350 19.640 -1.318 623 HB3 TYR 84 2HB TYR 84 3.556 20.910 -1.138 624 HD1 TYR 84 1HD TYR 84 3.113 22.664 -3.376 625 HD2 TYR 84 2HD TYR 84 0.255 20.568 -1.021 626 HE1 TYR 84 1HE TYR 84 1.419 24.356 -3.938 627 HE2 TYR 84 2HE TYR 84 -1.447 22.254 -1.577 628 HH TYR 84 HH TYR 84 -0.867 25.170 -2.642 629 H GLY 85 H GLY 85 3.001 17.542 -2.382 630 HA2 GLY 85 1HA GLY 85 5.137 15.984 -2.779 631 HA3 GLY 85 2HA GLY 85 5.627 16.861 -1.337 632 HA PRO 86 HA PRO 86 3.146 13.026 -0.222 633 HB2 PRO 86 1HB PRO 86 5.104 11.812 1.215 634 HB3 PRO 86 2HB PRO 86 4.899 11.572 -0.524 635 HG2 PRO 86 1HG PRO 86 6.807 13.364 0.929 636 HG3 PRO 86 2HG PRO 86 7.101 12.320 -0.475 637 HD2 PRO 86 1HD PRO 86 6.712 14.990 -0.701 638 HD3 PRO 86 2HD PRO 86 6.198 13.841 -1.953 639 H GLY 87 H GLY 87 1.997 12.962 1.634 640 HA2 GLY 87 1HA GLY 87 2.860 14.761 3.800 641 HA3 GLY 87 2HA GLY 87 1.201 14.275 3.483 642 H VAL 88 H VAL 88 0.622 13.329 5.356 643 HA VAL 88 HA VAL 88 2.384 11.615 6.833 644 HB VAL 88 HB VAL 88 -0.586 12.075 7.147 645 HG11 VAL 88 1HG1 VAL 88 -0.311 10.126 8.311 646 HG12 VAL 88 2HG1 VAL 88 1.388 10.447 8.665 647 HG13 VAL 88 3HG1 VAL 88 0.124 11.290 9.562 648 HG21 VAL 88 3HG2 VAL 88 1.703 13.682 7.800 649 HG22 VAL 88 1HG2 VAL 88 -0.012 14.050 7.988 650 HG23 VAL 88 2HG2 VAL 88 0.855 13.205 9.271 651 H SER 89 H SER 89 2.550 9.450 6.800 652 HA SER 89 HA SER 89 0.921 8.009 4.829 653 HB2 SER 89 1HB SER 89 3.389 7.917 4.571 654 HB3 SER 89 2HB SER 89 3.506 7.156 6.158 655 HG SER 89 HG SER 89 2.808 5.327 5.345 656 H THR 90 H THR 90 -0.016 5.993 5.331 657 HA THR 90 HA THR 90 -1.128 5.842 7.950 658 HB THR 90 HB THR 90 -2.185 3.740 7.154 659 HG1 THR 90 1HG THR 90 -1.084 2.756 5.632 660 HG21 THR 90 3HG2 THR 90 -2.336 6.216 5.456 661 HG22 THR 90 1HG2 THR 90 -3.449 5.669 6.709 662 HG23 THR 90 2HG2 THR 90 -3.380 4.825 5.162 663 H ASP 91 H ASP 91 -1.036 3.935 9.343 664 HA ASP 91 HA ASP 91 1.623 3.221 9.975 665 HB2 ASP 91 1HB ASP 91 -0.938 1.912 10.914 666 HB3 ASP 91 2HB ASP 91 0.641 1.785 11.685 667 H ASP 92 H ASP 92 2.838 1.489 9.466 668 HA ASP 92 HA ASP 92 2.700 0.065 7.222 669 HB2 ASP 92 1HB ASP 92 3.816 -1.870 8.526 670 HB3 ASP 92 2HB ASP 92 4.618 -0.302 8.511 671 H ILE 93 H ILE 93 1.142 -1.062 6.283 672 HA ILE 93 HA ILE 93 -0.930 -2.332 7.857 673 HB ILE 93 HB ILE 93 -0.561 -2.200 4.862 674 HG12 ILE 93 1HG1 ILE 93 -2.554 -0.698 6.558 675 HG13 ILE 93 2HG1 ILE 93 -0.977 -0.034 6.145 676 HG21 ILE 93 1HG2 ILE 93 -2.590 -3.243 4.577 677 HG22 ILE 93 2HG2 ILE 93 -1.958 -4.106 5.977 678 HG23 ILE 93 3HG2 ILE 93 -3.153 -2.828 6.196 679 HD11 ILE 93 3HD1 ILE 93 -1.754 -0.622 3.701 680 HD12 ILE 93 1HD1 ILE 93 -3.353 -0.494 4.433 681 HD13 ILE 93 2HD1 ILE 93 -2.243 0.876 4.492 682 H THR 94 H THR 94 -0.457 -4.241 8.739 683 HA THR 94 HA THR 94 1.264 -6.127 7.330 684 HB THR 94 HB THR 94 0.010 -6.498 10.051 685 HG1 THR 94 1HG THR 94 1.549 -4.571 9.562 686 HG21 THR 94 3HG2 THR 94 0.895 -8.542 9.690 687 HG22 THR 94 1HG2 THR 94 2.421 -7.749 10.081 688 HG23 THR 94 2HG2 THR 94 1.947 -7.969 8.396 689 H VAL 95 H VAL 95 0.344 -7.457 5.918 690 HA VAL 95 HA VAL 95 -2.217 -8.714 6.642 691 HB VAL 95 HB VAL 95 -1.452 -7.718 3.894 692 HG11 VAL 95 1HG1 VAL 95 -3.652 -9.491 4.865 693 HG12 VAL 95 2HG1 VAL 95 -3.925 -8.426 3.485 694 HG13 VAL 95 3HG1 VAL 95 -2.645 -9.638 3.426 695 HG21 VAL 95 3HG2 VAL 95 -2.585 -6.328 5.997 696 HG22 VAL 95 1HG2 VAL 95 -2.656 -5.882 4.292 697 HG23 VAL 95 2HG2 VAL 95 -3.971 -6.807 5.018 698 H VAL 96 H VAL 96 -1.715 -10.775 7.026 699 HA VAL 96 HA VAL 96 0.473 -12.105 5.734 700 HB VAL 96 HB VAL 96 -1.702 -13.328 7.435 701 HG11 VAL 96 1HG1 VAL 96 0.871 -14.301 6.310 702 HG12 VAL 96 2HG1 VAL 96 0.402 -14.856 7.918 703 HG13 VAL 96 3HG1 VAL 96 -0.657 -15.150 6.538 704 HG21 VAL 96 3HG2 VAL 96 0.172 -13.158 9.207 705 HG22 VAL 96 1HG2 VAL 96 0.831 -11.903 8.158 706 HG23 VAL 96 2HG2 VAL 96 -0.784 -11.721 8.843 707 H THR 97 H THR 97 0.417 -13.038 3.809 708 HA THR 97 HA THR 97 -1.821 -13.200 2.167 709 HB THR 97 HB THR 97 -0.419 -14.953 0.890 710 HG1 THR 97 1HG THR 97 1.502 -15.448 1.691 711 HG21 THR 97 3HG2 THR 97 1.299 -13.130 0.291 712 HG22 THR 97 1HG2 THR 97 0.420 -12.123 1.441 713 HG23 THR 97 2HG2 THR 97 -0.409 -12.779 0.029 714 H LEU 98 H LEU 98 -3.100 -14.949 1.460 715 HA LEU 98 HA LEU 98 -4.095 -16.624 3.453 716 HB2 LEU 98 1HB LEU 98 -4.270 -17.148 0.495 717 HB3 LEU 98 2HB LEU 98 -5.390 -17.681 1.747 718 HG LEU 98 HG LEU 98 -5.001 -14.875 0.716 719 HD11 LEU 98 1HD1 LEU 98 -6.353 -16.483 -0.643 720 HD12 LEU 98 2HD1 LEU 98 -7.236 -15.064 -0.081 721 HD13 LEU 98 3HD1 LEU 98 -7.457 -16.617 0.726 722 HD21 LEU 98 3HD2 LEU 98 -5.870 -15.757 3.297 723 HD22 LEU 98 1HD2 LEU 98 -7.224 -15.028 2.433 724 HD23 LEU 98 2HD2 LEU 98 -5.734 -14.114 2.667 725 H SER 99 H SER 99 -4.337 -19.151 2.669 726 HA SER 99 HA SER 99 -1.654 -20.207 2.155 727 HB2 SER 99 1HB SER 99 -1.634 -20.276 4.509 728 HB3 SER 99 2HB SER 99 -3.332 -20.742 4.598 729 HG SER 99 HG SER 99 -2.805 -22.778 3.915 730 H ASP 100 H ASP 100 -2.028 -21.279 0.314 731 HA ASP 100 HA ASP 100 -4.409 -22.402 -0.546 732 HB2 ASP 100 1HB ASP 100 -2.710 -22.107 -2.161 733 HB3 ASP 100 2HB ASP 100 -1.541 -23.028 -1.218 734 H SER 101 H SER 101 -1.656 -24.080 0.975 735 HA SER 101 HA SER 101 -2.843 -26.610 1.101 736 HB2 SER 101 1HB SER 101 -0.728 -25.353 2.862 737 HB3 SER 101 2HB SER 101 -1.162 -27.062 2.909 738 HG SER 101 HG SER 101 -0.252 -25.694 0.594 739 H GLY 102 H GLY 102 -4.229 -27.572 2.483 740 HA2 GLY 102 1HA GLY 102 -4.882 -26.274 5.017 741 HA3 GLY 102 2HA GLY 102 -6.186 -26.436 3.850 742 HA PRO 103 HA PRO 103 -4.830 -30.846 5.421 743 HB2 PRO 103 1HB PRO 103 -3.753 -30.825 7.913 744 HB3 PRO 103 2HB PRO 103 -2.776 -30.734 6.443 745 HG2 PRO 103 1HG PRO 103 -3.659 -28.533 8.270 746 HG3 PRO 103 2HG PRO 103 -2.075 -28.794 7.517 747 HD2 PRO 103 1HD PRO 103 -3.876 -27.022 6.544 748 HD3 PRO 103 2HD PRO 103 -2.748 -27.908 5.498 749 H SER 104 H SER 104 -6.164 -32.183 6.644 750 HA SER 104 HA SER 104 -8.135 -30.776 8.322 751 HB2 SER 104 1HB SER 104 -9.225 -31.665 6.383 752 HB3 SER 104 2HB SER 104 -8.423 -33.224 6.572 753 HG SER 104 HG SER 104 -10.755 -32.610 7.479 754 H SER 105 H SER 105 -7.752 -31.103 10.407 755 HA SER 105 HA SER 105 -6.349 -33.439 11.345 756 HB2 SER 105 1HB SER 105 -7.548 -31.058 12.768 757 HB3 SER 105 2HB SER 105 -6.733 -32.375 13.611 758 HG SER 105 HG SER 105 -5.586 -30.289 12.656 759 H GLY 106 H GLY 106 -8.663 -34.246 10.099 760 HA2 GLY 106 1HA GLY 106 -10.326 -35.125 12.380 761 HA3 GLY 106 2HA GLY 106 -10.995 -34.775 10.793 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -1.243 30.205 11.094 2 HA2 GLY 1 1HA GLY 1 0.506 27.848 10.891 3 HA3 GLY 1 2HA GLY 1 -1.100 27.791 10.182 4 H SER 2 H SER 2 1.284 27.414 8.730 5 HA SER 2 HA SER 2 1.527 29.894 7.172 6 HB2 SER 2 1HB SER 2 3.676 29.131 7.847 7 HB3 SER 2 2HB SER 2 3.303 27.464 7.409 8 HG SER 2 HG SER 2 4.556 28.336 5.789 9 H SER 3 H SER 3 0.932 29.999 5.073 10 HA SER 3 HA SER 3 -0.441 27.647 3.977 11 HB2 SER 3 1HB SER 3 -1.553 29.266 2.458 12 HB3 SER 3 2HB SER 3 -1.830 29.641 4.159 13 HG SER 3 HG SER 3 -1.272 31.512 3.008 14 H GLY 4 H GLY 4 -0.187 27.111 1.734 15 HA2 GLY 4 1HA GLY 4 1.071 27.763 -0.354 16 HA3 GLY 4 2HA GLY 4 2.471 27.883 0.701 17 H SER 5 H SER 5 3.758 26.171 0.767 18 HA SER 5 HA SER 5 2.835 23.672 -0.410 19 HB2 SER 5 1HB SER 5 5.511 24.856 0.218 20 HB3 SER 5 2HB SER 5 5.371 23.106 0.055 21 HG SER 5 HG SER 5 5.866 24.305 -1.920 22 H SER 6 H SER 6 2.006 22.141 0.830 23 HA SER 6 HA SER 6 3.273 21.443 3.343 24 HB2 SER 6 1HB SER 6 0.586 22.720 3.168 25 HB3 SER 6 2HB SER 6 0.790 21.401 4.320 26 HG SER 6 HG SER 6 1.916 22.679 5.546 27 H GLY 7 H GLY 7 2.901 19.326 3.971 28 HA2 GLY 7 1HA GLY 7 2.156 17.520 1.913 29 HA3 GLY 7 2HA GLY 7 2.516 17.094 3.580 30 HA PRO 8 HA PRO 8 -2.197 17.214 2.504 31 HB2 PRO 8 1HB PRO 8 -2.590 14.803 1.322 32 HB3 PRO 8 2HB PRO 8 -2.259 16.278 0.407 33 HG2 PRO 8 1HG PRO 8 -0.389 14.076 1.191 34 HG3 PRO 8 2HG PRO 8 -0.525 14.930 -0.357 35 HD2 PRO 8 1HD PRO 8 1.387 15.517 1.469 36 HD3 PRO 8 2HD PRO 8 0.684 16.743 0.394 37 H GLY 9 H GLY 9 -3.806 15.351 3.164 38 HA2 GLY 9 1HA GLY 9 -2.795 14.319 5.712 39 HA3 GLY 9 2HA GLY 9 -4.486 14.493 5.264 40 HA PRO 10 HA PRO 10 -2.824 10.070 4.654 41 HB2 PRO 10 1HB PRO 10 -3.959 8.913 6.832 42 HB3 PRO 10 2HB PRO 10 -2.333 9.607 6.850 43 HG2 PRO 10 1HG PRO 10 -4.908 10.792 7.813 44 HG3 PRO 10 2HG PRO 10 -3.309 10.818 8.578 45 HD2 PRO 10 1HD PRO 10 -4.297 12.927 7.197 46 HD3 PRO 10 2HD PRO 10 -2.563 12.550 7.252 47 H VAL 11 H VAL 11 -4.051 8.993 3.251 48 HA VAL 11 HA VAL 11 -6.642 9.528 2.565 49 HB VAL 11 HB VAL 11 -6.739 7.364 1.465 50 HG11 VAL 11 1HG1 VAL 11 -3.890 8.288 1.254 51 HG12 VAL 11 2HG1 VAL 11 -4.939 7.647 -0.012 52 HG13 VAL 11 3HG1 VAL 11 -5.233 9.256 0.648 53 HG21 VAL 11 3HG2 VAL 11 -5.954 5.691 2.777 54 HG22 VAL 11 1HG2 VAL 11 -4.476 5.988 1.862 55 HG23 VAL 11 2HG2 VAL 11 -4.674 6.686 3.470 56 H GLU 12 H GLU 12 -8.597 8.155 2.782 57 HA GLU 12 HA GLU 12 -8.823 7.073 5.514 58 HB2 GLU 12 1HB GLU 12 -11.365 7.710 5.001 59 HB3 GLU 12 2HB GLU 12 -10.232 8.851 5.711 60 HG2 GLU 12 1HG GLU 12 -10.097 10.114 3.827 61 HG3 GLU 12 2HG GLU 12 -10.412 8.750 2.755 62 H ASN 13 H ASN 13 -10.825 5.599 5.703 63 HA ASN 13 HA ASN 13 -11.645 3.523 5.233 64 HB2 ASN 13 1HB ASN 13 -12.029 5.038 2.666 65 HB3 ASN 13 2HB ASN 13 -12.531 3.355 2.796 66 HD21 ASN 13 1HD2 ASN 13 -13.324 6.577 3.432 67 HD22 ASN 13 2HD2 ASN 13 -14.771 6.300 4.333 68 H LEU 14 H LEU 14 -8.820 3.713 5.099 69 HA LEU 14 HA LEU 14 -7.973 2.205 2.772 70 HB2 LEU 14 1HB LEU 14 -6.431 3.832 3.510 71 HB3 LEU 14 2HB LEU 14 -6.551 3.295 5.184 72 HG LEU 14 HG LEU 14 -5.545 1.067 4.129 73 HD11 LEU 14 1HD1 LEU 14 -5.581 2.368 1.862 74 HD12 LEU 14 2HD1 LEU 14 -4.214 1.335 2.277 75 HD13 LEU 14 3HD1 LEU 14 -4.092 3.082 2.480 76 HD21 LEU 14 3HD2 LEU 14 -3.780 1.589 5.396 77 HD22 LEU 14 1HD2 LEU 14 -4.646 3.083 5.755 78 HD23 LEU 14 2HD2 LEU 14 -3.434 3.053 4.473 79 H GLN 15 H GLN 15 -7.843 0.062 2.659 80 HA GLN 15 HA GLN 15 -7.303 -1.558 4.975 81 HB2 GLN 15 1HB GLN 15 -10.024 -1.486 3.716 82 HB3 GLN 15 2HB GLN 15 -9.424 -2.973 4.439 83 HG2 GLN 15 1HG GLN 15 -9.048 -1.700 6.553 84 HG3 GLN 15 2HG GLN 15 -9.866 -0.330 5.802 85 HE21 GLN 15 1HE2 GLN 15 -11.649 -0.236 7.049 86 HE22 GLN 15 2HE2 GLN 15 -12.823 -1.497 7.169 87 H ALA 16 H ALA 16 -6.436 -3.517 4.443 88 HA ALA 16 HA ALA 16 -6.452 -4.269 1.596 89 HB1 ALA 16 3HB ALA 16 -4.233 -4.166 1.415 90 HB2 ALA 16 1HB ALA 16 -4.256 -3.247 2.920 91 HB3 ALA 16 2HB ALA 16 -3.990 -4.990 2.955 92 H VAL 17 H VAL 17 -6.542 -6.438 1.145 93 HA VAL 17 HA VAL 17 -6.217 -8.417 3.221 94 HB VAL 17 HB VAL 17 -8.557 -9.360 2.732 95 HG11 VAL 17 1HG1 VAL 17 -8.517 -6.796 4.304 96 HG12 VAL 17 2HG1 VAL 17 -9.471 -8.250 4.606 97 HG13 VAL 17 3HG1 VAL 17 -7.725 -8.270 4.863 98 HG21 VAL 17 3HG2 VAL 17 -9.118 -6.480 2.043 99 HG22 VAL 17 1HG2 VAL 17 -8.980 -7.770 0.848 100 HG23 VAL 17 2HG2 VAL 17 -10.260 -7.824 2.060 101 H SER 18 H SER 18 -5.627 -10.342 2.391 102 HA SER 18 HA SER 18 -5.308 -10.531 -0.478 103 HB2 SER 18 1HB SER 18 -3.485 -11.228 1.033 104 HB3 SER 18 2HB SER 18 -4.527 -12.485 1.700 105 HG SER 18 HG SER 18 -3.455 -12.284 -0.908 106 H THR 19 H THR 19 -6.524 -11.682 -1.839 107 HA THR 19 HA THR 19 -8.686 -13.316 -0.695 108 HB THR 19 HB THR 19 -9.949 -12.937 -2.697 109 HG1 THR 19 1HG THR 19 -8.805 -11.368 -4.257 110 HG21 THR 19 3HG2 THR 19 -10.144 -10.478 -2.704 111 HG22 THR 19 1HG2 THR 19 -8.637 -10.369 -1.796 112 HG23 THR 19 2HG2 THR 19 -10.051 -11.132 -1.069 113 H SER 20 H SER 20 -5.857 -14.132 -1.273 114 HA SER 20 HA SER 20 -6.383 -16.711 -2.262 115 HB2 SER 20 1HB SER 20 -6.035 -14.785 -4.305 116 HB3 SER 20 2HB SER 20 -4.556 -15.745 -4.261 117 HG SER 20 HG SER 20 -7.166 -16.510 -4.877 118 HA PRO 21 HA PRO 21 -2.455 -18.009 -0.780 119 HB2 PRO 21 1HB PRO 21 -1.340 -18.205 -3.540 120 HB3 PRO 21 2HB PRO 21 -1.344 -19.403 -2.240 121 HG2 PRO 21 1HG PRO 21 -3.033 -19.585 -4.314 122 HG3 PRO 21 2HG PRO 21 -3.513 -20.066 -2.676 123 HD2 PRO 21 1HD PRO 21 -4.287 -17.693 -4.256 124 HD3 PRO 21 2HD PRO 21 -5.181 -18.560 -2.992 125 H THR 22 H THR 22 -1.915 -15.956 -3.649 126 HA THR 22 HA THR 22 -0.145 -14.271 -2.019 127 HB THR 22 HB THR 22 1.532 -14.134 -3.682 128 HG1 THR 22 1HG THR 22 -0.053 -15.757 -5.403 129 HG21 THR 22 3HG2 THR 22 2.077 -16.072 -2.588 130 HG22 THR 22 1HG2 THR 22 1.888 -16.701 -4.224 131 HG23 THR 22 2HG2 THR 22 0.583 -16.885 -3.052 132 H SER 23 H SER 23 -1.680 -12.652 -1.870 133 HA SER 23 HA SER 23 -1.831 -10.856 -4.077 134 HB2 SER 23 1HB SER 23 -4.246 -10.884 -4.421 135 HB3 SER 23 2HB SER 23 -3.578 -12.481 -4.752 136 HG SER 23 HG SER 23 -4.910 -13.197 -3.309 137 H ILE 24 H ILE 24 -3.332 -8.965 -3.522 138 HA ILE 24 HA ILE 24 -3.978 -8.576 -0.754 139 HB ILE 24 HB ILE 24 -1.699 -6.969 -1.914 140 HG12 ILE 24 1HG1 ILE 24 -1.795 -9.053 0.273 141 HG13 ILE 24 2HG1 ILE 24 -0.911 -9.147 -1.246 142 HG21 ILE 24 1HG2 ILE 24 -2.752 -5.437 -0.573 143 HG22 ILE 24 2HG2 ILE 24 -3.387 -6.667 0.519 144 HG23 ILE 24 3HG2 ILE 24 -1.686 -6.211 0.599 145 HD11 ILE 24 3HD1 ILE 24 0.206 -6.944 -0.266 146 HD12 ILE 24 1HD1 ILE 24 -0.253 -7.715 1.252 147 HD13 ILE 24 2HD1 ILE 24 0.795 -8.562 0.113 148 H LEU 25 H LEU 25 -5.949 -7.767 -1.151 149 HA LEU 25 HA LEU 25 -6.375 -5.851 -3.286 150 HB2 LEU 25 1HB LEU 25 -7.967 -7.720 -2.689 151 HB3 LEU 25 2HB LEU 25 -8.369 -6.798 -1.241 152 HG LEU 25 HG LEU 25 -9.203 -4.969 -2.649 153 HD11 LEU 25 1HD1 LEU 25 -7.764 -6.327 -4.673 154 HD12 LEU 25 2HD1 LEU 25 -8.645 -4.804 -4.785 155 HD13 LEU 25 3HD1 LEU 25 -9.467 -6.326 -5.131 156 HD21 LEU 25 3HD2 LEU 25 -11.239 -5.912 -2.825 157 HD22 LEU 25 1HD2 LEU 25 -10.459 -7.284 -2.037 158 HD23 LEU 25 2HD2 LEU 25 -10.647 -7.264 -3.791 159 H ILE 26 H ILE 26 -5.455 -3.926 -2.750 160 HA ILE 26 HA ILE 26 -5.992 -2.760 -0.129 161 HB ILE 26 HB ILE 26 -4.376 -1.522 -2.350 162 HG12 ILE 26 1HG1 ILE 26 -3.094 -3.002 -0.092 163 HG13 ILE 26 2HG1 ILE 26 -3.713 -3.924 -1.458 164 HG21 ILE 26 1HG2 ILE 26 -4.855 0.088 -0.716 165 HG22 ILE 26 2HG2 ILE 26 -4.627 -1.058 0.604 166 HG23 ILE 26 3HG2 ILE 26 -3.236 -0.485 -0.315 167 HD11 ILE 26 3HD1 ILE 26 -1.243 -2.629 -1.228 168 HD12 ILE 26 1HD1 ILE 26 -1.914 -3.438 -2.643 169 HD13 ILE 26 2HD1 ILE 26 -2.175 -1.710 -2.409 170 H THR 27 H THR 27 -7.896 -1.773 0.063 171 HA THR 27 HA THR 27 -8.898 -0.180 -2.200 172 HB THR 27 HB THR 27 -11.115 -0.314 -1.108 173 HG1 THR 27 1HG THR 27 -9.583 -1.489 0.875 174 HG21 THR 27 3HG2 THR 27 -11.555 -2.217 -2.210 175 HG22 THR 27 1HG2 THR 27 -10.466 -3.159 -1.193 176 HG23 THR 27 2HG2 THR 27 -9.829 -2.259 -2.569 177 H TRP 28 H TRP 28 -7.943 1.785 -1.878 178 HA TRP 28 HA TRP 28 -8.384 3.080 0.729 179 HB2 TRP 28 1HB TRP 28 -6.511 4.516 0.240 180 HB3 TRP 28 2HB TRP 28 -6.013 2.847 -0.026 181 HD1 TRP 28 HD TRP 28 -6.187 6.164 -1.725 182 HE1 TRP 28 1HE TRP 28 -5.424 5.941 -4.173 183 HE3 TRP 28 3HE TRP 28 -6.151 1.065 -2.102 184 HZ2 TRP 28 2HZ TRP 28 -4.880 3.877 -6.020 185 HZ3 TRP 28 3HZ TRP 28 -5.497 0.046 -4.245 186 HH2 TRP 28 HH TRP 28 -4.876 1.425 -6.162 187 H GLU 29 H GLU 29 -8.923 5.368 0.712 188 HA GLU 29 HA GLU 29 -10.359 6.190 -1.726 189 HB2 GLU 29 1HB GLU 29 -11.290 6.037 1.089 190 HB3 GLU 29 2HB GLU 29 -11.802 7.441 0.162 191 HG2 GLU 29 1HG GLU 29 -13.469 5.704 0.039 192 HG3 GLU 29 2HG GLU 29 -12.744 5.964 -1.546 193 HA PRO 30 HA PRO 30 -8.332 10.074 -1.526 194 HB2 PRO 30 1HB PRO 30 -10.304 11.823 -2.178 195 HB3 PRO 30 2HB PRO 30 -9.572 10.720 -3.349 196 HG2 PRO 30 1HG PRO 30 -12.152 10.455 -1.853 197 HG3 PRO 30 2HG PRO 30 -11.806 10.109 -3.558 198 HD2 PRO 30 1HD PRO 30 -11.956 8.165 -1.678 199 HD3 PRO 30 2HD PRO 30 -10.876 8.054 -3.083 200 HA PRO 31 HA PRO 31 -9.012 11.581 2.599 201 HB2 PRO 31 1HB PRO 31 -7.113 13.521 2.548 202 HB3 PRO 31 2HB PRO 31 -6.728 11.805 2.720 203 HG2 PRO 31 1HG PRO 31 -6.636 13.531 0.276 204 HG3 PRO 31 2HG PRO 31 -5.471 12.315 0.832 205 HD2 PRO 31 1HD PRO 31 -7.287 11.811 -1.112 206 HD3 PRO 31 2HD PRO 31 -6.722 10.560 0.013 207 H ALA 32 H ALA 32 -10.711 12.802 3.107 208 HA ALA 32 HA ALA 32 -11.647 14.930 1.452 209 HB1 ALA 32 3HB ALA 32 -12.653 13.381 3.617 210 HB2 ALA 32 1HB ALA 32 -12.862 15.090 4.002 211 HB3 ALA 32 2HB ALA 32 -13.532 14.433 2.508 212 H TYR 33 H TYR 33 -9.690 14.724 4.340 213 HA TYR 33 HA TYR 33 -9.664 17.651 4.568 214 HB2 TYR 33 1HB TYR 33 -8.394 17.090 6.743 215 HB3 TYR 33 2HB TYR 33 -10.119 16.748 6.682 216 HD1 TYR 33 2HD TYR 33 -6.768 15.187 6.402 217 HD2 TYR 33 1HD TYR 33 -10.932 14.560 7.009 218 HE1 TYR 33 2HE TYR 33 -6.320 12.849 7.017 219 HE2 TYR 33 1HE TYR 33 -10.495 12.219 7.627 220 HH TYR 33 HH TYR 33 -8.806 10.518 7.320 221 H ALA 34 H ALA 34 -8.319 16.526 2.389 222 HA ALA 34 HA ALA 34 -5.491 16.462 3.081 223 HB1 ALA 34 3HB ALA 34 -5.347 15.122 1.321 224 HB2 ALA 34 1HB ALA 34 -7.071 15.340 1.020 225 HB3 ALA 34 2HB ALA 34 -5.900 16.422 0.265 226 H ASN 35 H ASN 35 -3.984 17.735 1.631 227 HA ASN 35 HA ASN 35 -4.934 20.504 1.538 228 HB2 ASN 35 1HB ASN 35 -2.890 19.971 2.860 229 HB3 ASN 35 2HB ASN 35 -2.098 19.463 1.371 230 HD21 ASN 35 1HD2 ASN 35 -0.987 21.410 2.895 231 HD22 ASN 35 2HD2 ASN 35 -1.112 22.937 2.095 232 H GLY 36 H GLY 36 -5.978 20.657 -0.417 233 HA2 GLY 36 1HA GLY 36 -6.020 21.214 -2.662 234 HA3 GLY 36 2HA GLY 36 -4.290 20.910 -2.732 235 HA PRO 37 HA PRO 37 -6.300 17.576 -5.182 236 HB2 PRO 37 1HB PRO 37 -4.377 17.533 -7.099 237 HB3 PRO 37 2HB PRO 37 -5.744 18.654 -7.134 238 HG2 PRO 37 1HG PRO 37 -2.930 19.124 -6.226 239 HG3 PRO 37 2HG PRO 37 -3.977 20.165 -7.209 240 HD2 PRO 37 1HD PRO 37 -3.581 20.580 -4.563 241 HD3 PRO 37 2HD PRO 37 -5.112 20.971 -5.371 242 H VAL 38 H VAL 38 -5.177 15.535 -6.081 243 HA VAL 38 HA VAL 38 -2.918 14.747 -4.372 244 HB VAL 38 HB VAL 38 -5.451 13.162 -4.804 245 HG11 VAL 38 1HG1 VAL 38 -2.778 12.240 -4.392 246 HG12 VAL 38 2HG1 VAL 38 -3.749 11.873 -2.965 247 HG13 VAL 38 3HG1 VAL 38 -4.263 11.304 -4.553 248 HG21 VAL 38 3HG2 VAL 38 -5.382 13.179 -2.255 249 HG22 VAL 38 1HG2 VAL 38 -4.183 14.463 -2.412 250 HG23 VAL 38 2HG2 VAL 38 -5.809 14.692 -3.056 251 H GLN 39 H GLN 39 -1.491 14.848 -6.102 252 HA GLN 39 HA GLN 39 -1.682 14.103 -8.671 253 HB2 GLN 39 1HB GLN 39 0.570 13.544 -6.747 254 HB3 GLN 39 2HB GLN 39 0.705 13.227 -8.472 255 HG2 GLN 39 1HG GLN 39 -0.159 15.928 -7.573 256 HG3 GLN 39 2HG GLN 39 1.540 15.481 -7.432 257 HE21 GLN 39 1HE2 GLN 39 2.292 16.864 -8.976 258 HE22 GLN 39 2HE2 GLN 39 1.933 16.703 -10.658 259 H GLY 40 H GLY 40 -1.256 11.847 -5.966 260 HA2 GLY 40 1HA GLY 40 -2.777 9.796 -7.070 261 HA3 GLY 40 2HA GLY 40 -1.113 9.506 -7.556 262 H TYR 41 H TYR 41 -0.627 7.742 -6.360 263 HA TYR 41 HA TYR 41 -0.329 8.144 -3.501 264 HB2 TYR 41 1HB TYR 41 -1.768 5.671 -4.444 265 HB3 TYR 41 2HB TYR 41 -1.596 6.275 -2.799 266 HD1 TYR 41 1HD TYR 41 -3.358 6.725 -5.997 267 HD2 TYR 41 2HD TYR 41 -3.066 7.971 -1.939 268 HE1 TYR 41 1HE TYR 41 -5.524 7.872 -6.200 269 HE2 TYR 41 2HE TYR 41 -5.232 9.120 -2.131 270 HH TYR 41 HH TYR 41 -6.888 9.714 -3.488 271 H ARG 42 H ARG 42 1.207 6.785 -2.549 272 HA ARG 42 HA ARG 42 2.763 5.156 -4.451 273 HB2 ARG 42 1HB ARG 42 3.601 7.170 -2.431 274 HB3 ARG 42 2HB ARG 42 4.625 5.753 -2.624 275 HG2 ARG 42 1HG ARG 42 5.159 6.282 -4.821 276 HG3 ARG 42 2HG ARG 42 3.774 7.361 -4.998 277 HD2 ARG 42 1HD ARG 42 4.996 8.670 -3.057 278 HD3 ARG 42 2HD ARG 42 6.410 7.839 -3.705 279 HE ARG 42 HE ARG 42 4.782 9.223 -5.657 280 HH11 ARG 42 1HH1 ARG 42 7.516 9.370 -3.506 281 HH12 ARG 42 2HH1 ARG 42 8.282 10.669 -4.359 282 HH21 ARG 42 1HH2 ARG 42 5.781 10.933 -6.788 283 HH22 ARG 42 2HH2 ARG 42 7.294 11.558 -6.225 284 H LEU 43 H LEU 43 2.958 3.074 -3.959 285 HA LEU 43 HA LEU 43 2.295 2.221 -1.222 286 HB2 LEU 43 1HB LEU 43 0.747 1.284 -2.733 287 HB3 LEU 43 2HB LEU 43 2.011 0.865 -3.887 288 HG LEU 43 HG LEU 43 2.840 -0.748 -2.045 289 HD11 LEU 43 1HD1 LEU 43 1.223 -1.517 -0.480 290 HD12 LEU 43 2HD1 LEU 43 -0.031 -0.491 -1.178 291 HD13 LEU 43 3HD1 LEU 43 1.323 0.236 -0.313 292 HD21 LEU 43 3HD2 LEU 43 0.316 -1.860 -2.949 293 HD22 LEU 43 1HD2 LEU 43 1.968 -2.328 -3.351 294 HD23 LEU 43 2HD2 LEU 43 1.181 -1.022 -4.238 295 H PHE 44 H PHE 44 3.727 1.083 -0.045 296 HA PHE 44 HA PHE 44 6.219 0.236 -1.369 297 HB2 PHE 44 1HB PHE 44 6.027 1.276 1.461 298 HB3 PHE 44 2HB PHE 44 7.490 0.921 0.549 299 HD1 PHE 44 2HD PHE 44 8.224 2.409 -1.250 300 HD2 PHE 44 1HD PHE 44 4.837 3.324 1.160 301 HE1 PHE 44 2HE PHE 44 8.307 4.743 -2.025 302 HE2 PHE 44 1HE PHE 44 4.914 5.659 0.389 303 HZ PHE 44 HZ PHE 44 6.651 6.372 -1.205 304 H CYS 45 H CYS 45 6.230 -1.911 -1.414 305 HA CYS 45 HA CYS 45 5.055 -3.399 0.822 306 HB2 CYS 45 1HB CYS 45 4.180 -4.086 -1.296 307 HB3 CYS 45 2HB CYS 45 5.791 -4.211 -1.991 308 HG CYS 45 HG CYS 45 5.785 -6.204 0.554 309 H THR 46 H THR 46 6.353 -4.170 2.336 310 HA THR 46 HA THR 46 9.144 -4.794 1.618 311 HB THR 46 HB THR 46 8.198 -3.938 4.356 312 HG1 THR 46 1HG THR 46 8.829 -1.894 3.832 313 HG21 THR 46 3HG2 THR 46 10.405 -3.954 5.002 314 HG22 THR 46 1HG2 THR 46 11.002 -3.717 3.360 315 HG23 THR 46 2HG2 THR 46 10.400 -5.298 3.860 316 H GLU 47 H GLU 47 9.627 -6.878 1.746 317 HA GLU 47 HA GLU 47 7.842 -8.746 3.005 318 HB2 GLU 47 1HB GLU 47 9.110 -9.176 0.867 319 HB3 GLU 47 2HB GLU 47 10.570 -9.303 1.838 320 HG2 GLU 47 1HG GLU 47 9.942 -11.297 2.777 321 HG3 GLU 47 2HG GLU 47 8.223 -10.993 2.538 322 H VAL 48 H VAL 48 7.857 -8.490 5.198 323 HA VAL 48 HA VAL 48 9.842 -7.868 6.927 324 HB VAL 48 HB VAL 48 7.788 -10.036 7.388 325 HG11 VAL 48 1HG1 VAL 48 9.823 -8.800 9.104 326 HG12 VAL 48 2HG1 VAL 48 8.199 -8.846 9.794 327 HG13 VAL 48 3HG1 VAL 48 8.978 -10.339 9.269 328 HG21 VAL 48 3HG2 VAL 48 6.883 -7.829 6.658 329 HG22 VAL 48 1HG2 VAL 48 6.371 -8.318 8.273 330 HG23 VAL 48 2HG2 VAL 48 7.636 -7.105 8.079 331 H SER 49 H SER 49 9.314 -11.017 5.428 332 HA SER 49 HA SER 49 11.039 -12.605 6.865 333 HB2 SER 49 1HB SER 49 9.531 -13.263 4.910 334 HB3 SER 49 2HB SER 49 10.846 -12.745 3.856 335 HG SER 49 HG SER 49 12.061 -14.258 5.482 336 H THR 50 H THR 50 11.902 -10.918 3.840 337 HA THR 50 HA THR 50 14.725 -11.215 4.465 338 HB THR 50 HB THR 50 15.118 -10.202 2.251 339 HG1 THR 50 1HG THR 50 13.310 -9.708 0.946 340 HG21 THR 50 3HG2 THR 50 13.211 -12.073 1.274 341 HG22 THR 50 1HG2 THR 50 13.856 -12.690 2.794 342 HG23 THR 50 2HG2 THR 50 14.950 -12.281 1.473 343 H GLY 51 H GLY 51 12.487 -8.533 3.731 344 HA2 GLY 51 1HA GLY 51 12.505 -6.585 5.200 345 HA3 GLY 51 2HA GLY 51 14.246 -6.788 5.337 346 H LYS 52 H LYS 52 12.850 -7.261 2.231 347 HA LYS 52 HA LYS 52 14.127 -4.792 1.311 348 HB2 LYS 52 1HB LYS 52 13.199 -7.276 -0.129 349 HB3 LYS 52 2HB LYS 52 13.732 -5.831 -0.978 350 HG2 LYS 52 1HG LYS 52 15.898 -6.028 0.306 351 HG3 LYS 52 2HG LYS 52 15.342 -7.624 0.815 352 HD2 LYS 52 1HD LYS 52 15.101 -8.247 -1.575 353 HD3 LYS 52 2HD LYS 52 15.790 -6.683 -2.017 354 HE2 LYS 52 1HE LYS 52 17.757 -7.379 -0.498 355 HE3 LYS 52 2HE LYS 52 17.100 -9.007 -0.649 356 HZ1 LYS 52 3HZ LYS 52 18.787 -7.740 -2.412 357 HZ2 LYS 52 1HZ LYS 52 17.282 -7.739 -3.185 358 HZ3 LYS 52 2HZ LYS 52 17.966 -9.197 -2.667 359 H GLU 53 H GLU 53 12.961 -3.060 0.817 360 HA GLU 53 HA GLU 53 10.057 -3.344 0.563 361 HB2 GLU 53 1HB GLU 53 10.887 -1.749 2.238 362 HB3 GLU 53 2HB GLU 53 11.748 -0.873 0.981 363 HG2 GLU 53 1HG GLU 53 9.724 -0.166 -0.034 364 HG3 GLU 53 2HG GLU 53 8.768 -1.250 0.975 365 H GLN 54 H GLN 54 8.937 -2.726 -1.229 366 HA GLN 54 HA GLN 54 10.522 -1.781 -3.526 367 HB2 GLN 54 1HB GLN 54 9.175 -3.138 -4.998 368 HB3 GLN 54 2HB GLN 54 9.853 -4.162 -3.740 369 HG2 GLN 54 1HG GLN 54 7.751 -4.201 -2.570 370 HG3 GLN 54 2HG GLN 54 7.057 -3.053 -3.714 371 HE21 GLN 54 1HE2 GLN 54 6.242 -5.781 -2.989 372 HE22 GLN 54 2HE2 GLN 54 6.201 -6.666 -4.473 373 H ASN 55 H ASN 55 9.807 -0.001 -4.518 374 HA ASN 55 HA ASN 55 7.381 1.253 -3.526 375 HB2 ASN 55 1HB ASN 55 8.266 3.086 -5.220 376 HB3 ASN 55 2HB ASN 55 9.013 2.873 -3.639 377 HD21 ASN 55 1HD2 ASN 55 11.040 1.932 -3.489 378 HD22 ASN 55 2HD2 ASN 55 12.072 1.745 -4.862 379 H ILE 56 H ILE 56 5.558 1.633 -4.688 380 HA ILE 56 HA ILE 56 5.518 0.853 -7.516 381 HB ILE 56 HB ILE 56 3.482 -0.056 -5.478 382 HG12 ILE 56 1HG1 ILE 56 5.087 -1.920 -7.170 383 HG13 ILE 56 2HG1 ILE 56 5.865 -1.186 -5.772 384 HG21 ILE 56 1HG2 ILE 56 3.623 -0.664 -8.427 385 HG22 ILE 56 2HG2 ILE 56 2.379 -1.186 -7.293 386 HG23 ILE 56 3HG2 ILE 56 2.541 0.523 -7.698 387 HD11 ILE 56 3HD1 ILE 56 3.219 -2.511 -5.444 388 HD12 ILE 56 1HD1 ILE 56 4.680 -3.491 -5.566 389 HD13 ILE 56 2HD1 ILE 56 4.524 -2.295 -4.278 390 H GLU 57 H GLU 57 3.958 1.888 -8.781 391 HA GLU 57 HA GLU 57 2.594 4.145 -7.465 392 HB2 GLU 57 1HB GLU 57 4.219 4.004 -9.947 393 HB3 GLU 57 2HB GLU 57 2.801 5.042 -9.982 394 HG2 GLU 57 1HG GLU 57 3.811 5.915 -7.709 395 HG3 GLU 57 2HG GLU 57 5.306 5.301 -8.413 396 H VAL 58 H VAL 58 0.556 3.377 -7.256 397 HA VAL 58 HA VAL 58 -0.747 2.265 -9.650 398 HB VAL 58 HB VAL 58 -2.411 1.293 -8.167 399 HG11 VAL 58 1HG1 VAL 58 -0.884 -0.350 -8.356 400 HG12 VAL 58 2HG1 VAL 58 0.458 0.703 -7.905 401 HG13 VAL 58 3HG1 VAL 58 -0.574 0.004 -6.657 402 HG21 VAL 58 3HG2 VAL 58 -0.914 1.952 -5.706 403 HG22 VAL 58 1HG2 VAL 58 -1.852 3.258 -6.430 404 HG23 VAL 58 2HG2 VAL 58 -2.648 1.755 -5.962 405 H ASP 59 H ASP 59 -3.172 2.742 -9.708 406 HA ASP 59 HA ASP 59 -3.760 5.471 -8.801 407 HB2 ASP 59 1HB ASP 59 -4.835 5.890 -11.054 408 HB3 ASP 59 2HB ASP 59 -3.074 5.819 -11.057 409 H GLY 60 H GLY 60 -6.117 6.003 -9.048 410 HA2 GLY 60 1HA GLY 60 -8.379 5.399 -9.024 411 HA3 GLY 60 2HA GLY 60 -7.906 3.711 -9.151 412 H LEU 61 H LEU 61 -9.483 3.279 -7.499 413 HA LEU 61 HA LEU 61 -8.474 3.913 -4.805 414 HB2 LEU 61 1HB LEU 61 -11.362 3.542 -5.582 415 HB3 LEU 61 2HB LEU 61 -10.746 3.954 -3.983 416 HG LEU 61 HG LEU 61 -10.663 5.705 -6.439 417 HD11 LEU 61 1HD1 LEU 61 -12.657 6.429 -5.809 418 HD12 LEU 61 2HD1 LEU 61 -12.010 6.862 -4.227 419 HD13 LEU 61 3HD1 LEU 61 -12.677 5.252 -4.495 420 HD21 LEU 61 3HD2 LEU 61 -8.700 5.901 -4.864 421 HD22 LEU 61 1HD2 LEU 61 -9.848 6.431 -3.635 422 HD23 LEU 61 2HD2 LEU 61 -9.639 7.375 -5.110 423 H SER 62 H SER 62 -7.912 1.618 -6.529 424 HA SER 62 HA SER 62 -8.174 -0.440 -4.620 425 HB2 SER 62 1HB SER 62 -9.653 -1.965 -5.960 426 HB3 SER 62 2HB SER 62 -10.489 -0.570 -5.276 427 HG SER 62 HG SER 62 -9.575 -0.866 -7.947 428 H TYR 63 H TYR 63 -6.665 -1.963 -4.988 429 HA TYR 63 HA TYR 63 -5.708 -2.468 -7.687 430 HB2 TYR 63 1HB TYR 63 -4.338 -0.569 -6.904 431 HB3 TYR 63 2HB TYR 63 -3.847 -1.512 -5.501 432 HD1 TYR 63 1HD TYR 63 -3.484 -1.106 -9.130 433 HD2 TYR 63 2HD TYR 63 -2.223 -3.291 -5.704 434 HE1 TYR 63 1HE TYR 63 -1.600 -2.026 -10.418 435 HE2 TYR 63 2HE TYR 63 -0.335 -4.216 -6.981 436 HH TYR 63 HH TYR 63 -0.131 -4.124 -10.286 437 H LYS 64 H LYS 64 -5.267 -4.558 -7.953 438 HA LYS 64 HA LYS 64 -5.188 -6.271 -5.582 439 HB2 LYS 64 1HB LYS 64 -6.747 -6.634 -7.616 440 HB3 LYS 64 2HB LYS 64 -5.309 -7.245 -8.424 441 HG2 LYS 64 1HG LYS 64 -5.058 -8.975 -6.762 442 HG3 LYS 64 2HG LYS 64 -6.416 -8.325 -5.840 443 HD2 LYS 64 1HD LYS 64 -7.650 -8.656 -8.173 444 HD3 LYS 64 2HD LYS 64 -6.400 -9.888 -8.365 445 HE2 LYS 64 1HE LYS 64 -7.219 -11.179 -6.666 446 HE3 LYS 64 2HE LYS 64 -7.890 -9.800 -5.796 447 HZ1 LYS 64 3HZ LYS 64 -9.149 -11.529 -7.675 448 HZ2 LYS 64 1HZ LYS 64 -9.299 -9.910 -8.144 449 HZ3 LYS 64 2HZ LYS 64 -9.844 -10.404 -6.621 450 H LEU 65 H LEU 65 -3.206 -6.588 -4.797 451 HA LEU 65 HA LEU 65 -0.858 -6.482 -6.439 452 HB2 LEU 65 1HB LEU 65 -1.264 -5.956 -3.866 453 HB3 LEU 65 2HB LEU 65 -0.771 -7.640 -3.707 454 HG LEU 65 HG LEU 65 1.262 -6.829 -5.181 455 HD11 LEU 65 1HD1 LEU 65 1.694 -4.433 -4.001 456 HD12 LEU 65 2HD1 LEU 65 -0.041 -4.348 -4.302 457 HD13 LEU 65 3HD1 LEU 65 1.073 -4.639 -5.638 458 HD21 LEU 65 3HD2 LEU 65 2.130 -7.560 -3.262 459 HD22 LEU 65 1HD2 LEU 65 0.738 -7.005 -2.331 460 HD23 LEU 65 2HD2 LEU 65 2.051 -5.888 -2.705 461 H GLU 66 H GLU 66 0.525 -8.153 -7.002 462 HA GLU 66 HA GLU 66 -0.251 -10.889 -6.362 463 HB2 GLU 66 1HB GLU 66 0.044 -9.902 -9.205 464 HB3 GLU 66 2HB GLU 66 -0.177 -11.578 -8.725 465 HG2 GLU 66 1HG GLU 66 -2.204 -9.655 -7.774 466 HG3 GLU 66 2HG GLU 66 -2.180 -9.996 -9.503 467 H GLY 67 H GLY 67 1.402 -12.473 -7.008 468 HA2 GLY 67 1HA GLY 67 3.601 -13.088 -7.558 469 HA3 GLY 67 2HA GLY 67 4.030 -11.386 -7.651 470 H LEU 68 H LEU 68 2.307 -12.679 -4.912 471 HA LEU 68 HA LEU 68 4.660 -12.124 -3.248 472 HB2 LEU 68 1HB LEU 68 1.764 -12.417 -2.465 473 HB3 LEU 68 2HB LEU 68 3.087 -11.996 -1.380 474 HG LEU 68 HG LEU 68 2.642 -10.227 -3.718 475 HD11 LEU 68 1HD1 LEU 68 0.963 -8.992 -2.156 476 HD12 LEU 68 2HD1 LEU 68 0.691 -10.603 -1.491 477 HD13 LEU 68 3HD1 LEU 68 0.400 -10.295 -3.203 478 HD21 LEU 68 3HD2 LEU 68 3.533 -9.974 -0.869 479 HD22 LEU 68 1HD2 LEU 68 3.043 -8.556 -1.797 480 HD23 LEU 68 2HD2 LEU 68 4.393 -9.547 -2.349 481 H LYS 69 H LYS 69 4.414 -13.514 -1.064 482 HA LYS 69 HA LYS 69 4.715 -16.271 -1.945 483 HB2 LYS 69 1HB LYS 69 5.457 -14.756 0.537 484 HB3 LYS 69 2HB LYS 69 5.424 -16.514 0.552 485 HG2 LYS 69 1HG LYS 69 7.062 -16.585 -1.236 486 HG3 LYS 69 2HG LYS 69 7.063 -14.822 -1.325 487 HD2 LYS 69 1HD LYS 69 8.893 -15.147 0.008 488 HD3 LYS 69 2HD LYS 69 7.638 -15.045 1.244 489 HE2 LYS 69 1HE LYS 69 7.483 -17.615 0.942 490 HE3 LYS 69 2HE LYS 69 9.072 -17.455 0.194 491 HZ1 LYS 69 3HZ LYS 69 9.070 -17.944 2.634 492 HZ2 LYS 69 1HZ LYS 69 8.445 -16.393 2.889 493 HZ3 LYS 69 2HZ LYS 69 9.969 -16.584 2.181 494 H LYS 70 H LYS 70 3.507 -17.986 -1.233 495 HA LYS 70 HA LYS 70 0.867 -17.891 -0.875 496 HB2 LYS 70 1HB LYS 70 2.200 -19.979 -0.996 497 HB3 LYS 70 2HB LYS 70 2.653 -19.763 0.690 498 HG2 LYS 70 1HG LYS 70 0.611 -20.391 1.466 499 HG3 LYS 70 2HG LYS 70 -0.240 -19.793 0.040 500 HD2 LYS 70 1HD LYS 70 1.552 -22.214 0.000 501 HD3 LYS 70 2HD LYS 70 -0.184 -22.301 0.309 502 HE2 LYS 70 1HE LYS 70 -0.618 -21.256 -1.860 503 HE3 LYS 70 2HE LYS 70 1.115 -21.163 -2.166 504 HZ1 LYS 70 3HZ LYS 70 -0.575 -23.586 -1.981 505 HZ2 LYS 70 1HZ LYS 70 1.113 -23.656 -1.888 506 HZ3 LYS 70 2HZ LYS 70 0.368 -23.064 -3.286 507 H PHE 71 H PHE 71 2.781 -18.484 2.060 508 HA PHE 71 HA PHE 71 1.005 -16.619 3.491 509 HB2 PHE 71 1HB PHE 71 0.669 -19.140 3.919 510 HB3 PHE 71 2HB PHE 71 2.204 -19.061 4.778 511 HD1 PHE 71 1HD PHE 71 2.415 -17.607 6.783 512 HD2 PHE 71 2HD PHE 71 -1.326 -18.341 4.891 513 HE1 PHE 71 1HE PHE 71 1.244 -16.839 8.807 514 HE2 PHE 71 2HE PHE 71 -2.503 -17.574 6.911 515 HZ PHE 71 HZ PHE 71 -1.218 -16.821 8.872 516 H THR 72 H THR 72 2.327 -14.882 3.663 517 HA THR 72 HA THR 72 4.627 -15.150 5.417 518 HB THR 72 HB THR 72 4.898 -13.956 2.652 519 HG1 THR 72 1HG THR 72 5.517 -16.402 3.760 520 HG21 THR 72 3HG2 THR 72 6.954 -14.149 4.855 521 HG22 THR 72 1HG2 THR 72 6.099 -12.675 4.403 522 HG23 THR 72 2HG2 THR 72 7.187 -13.450 3.252 523 H GLU 73 H GLU 73 4.418 -13.623 6.904 524 HA GLU 73 HA GLU 73 2.565 -11.559 6.850 525 HB2 GLU 73 1HB GLU 73 3.710 -12.465 8.883 526 HB3 GLU 73 2HB GLU 73 5.148 -11.567 8.417 527 HG2 GLU 73 1HG GLU 73 4.239 -9.546 8.963 528 HG3 GLU 73 2HG GLU 73 2.586 -10.089 8.682 529 H TYR 74 H TYR 74 2.510 -10.052 5.302 530 HA TYR 74 HA TYR 74 5.021 -8.742 4.516 531 HB2 TYR 74 1HB TYR 74 2.386 -9.131 3.131 532 HB3 TYR 74 2HB TYR 74 3.466 -7.833 2.634 533 HD1 TYR 74 2HD TYR 74 5.984 -8.626 2.251 534 HD2 TYR 74 1HD TYR 74 2.571 -11.158 2.048 535 HE1 TYR 74 2HE TYR 74 7.248 -10.208 0.855 536 HE2 TYR 74 1HE TYR 74 3.826 -12.748 0.652 537 HH TYR 74 HH TYR 74 6.726 -13.126 0.450 538 H SER 75 H SER 75 5.277 -6.547 4.653 539 HA SER 75 HA SER 75 3.143 -5.077 6.060 540 HB2 SER 75 1HB SER 75 5.270 -5.554 7.373 541 HB3 SER 75 2HB SER 75 6.095 -4.466 6.257 542 HG SER 75 HG SER 75 5.358 -2.887 7.408 543 H LEU 76 H LEU 76 2.200 -3.681 4.736 544 HA LEU 76 HA LEU 76 3.790 -2.425 2.612 545 HB2 LEU 76 1HB LEU 76 0.795 -2.436 2.902 546 HB3 LEU 76 2HB LEU 76 1.733 -1.973 1.484 547 HG LEU 76 HG LEU 76 1.495 -4.767 2.602 548 HD11 LEU 76 1HD1 LEU 76 0.064 -5.259 0.799 549 HD12 LEU 76 2HD1 LEU 76 0.400 -3.720 0.007 550 HD13 LEU 76 3HD1 LEU 76 -0.547 -3.758 1.494 551 HD21 LEU 76 3HD2 LEU 76 2.963 -3.640 0.229 552 HD22 LEU 76 1HD2 LEU 76 2.573 -5.351 0.400 553 HD23 LEU 76 2HD2 LEU 76 3.623 -4.564 1.579 554 H ARG 77 H ARG 77 2.919 -0.140 2.040 555 HA ARG 77 HA ARG 77 2.089 1.417 4.340 556 HB2 ARG 77 1HB ARG 77 4.491 1.330 4.682 557 HB3 ARG 77 2HB ARG 77 4.776 1.833 3.021 558 HG2 ARG 77 1HG ARG 77 3.770 3.999 3.488 559 HG3 ARG 77 2HG ARG 77 3.438 3.495 5.147 560 HD2 ARG 77 1HD ARG 77 6.192 3.610 3.928 561 HD3 ARG 77 2HD ARG 77 5.479 4.910 4.881 562 HE ARG 77 HE ARG 77 5.543 2.327 6.178 563 HH11 ARG 77 1HH1 ARG 77 7.169 5.359 5.648 564 HH12 ARG 77 2HH1 ARG 77 8.128 5.246 7.086 565 HH21 ARG 77 1HH2 ARG 77 6.801 2.166 8.075 566 HH22 ARG 77 2HH2 ARG 77 7.919 3.429 8.465 567 H PHE 78 H PHE 78 0.603 2.775 3.614 568 HA PHE 78 HA PHE 78 0.840 3.777 0.853 569 HB2 PHE 78 1HB PHE 78 -1.177 2.265 1.706 570 HB3 PHE 78 2HB PHE 78 -1.781 3.818 2.274 571 HD1 PHE 78 1HD PHE 78 -0.458 2.140 -0.770 572 HD2 PHE 78 2HD PHE 78 -2.954 5.193 0.833 573 HE1 PHE 78 1HE PHE 78 -1.304 2.630 -3.028 574 HE2 PHE 78 2HE PHE 78 -3.804 5.687 -1.423 575 HZ PHE 78 HZ PHE 78 -2.980 4.404 -3.357 576 H LEU 79 H LEU 79 0.404 5.948 0.438 577 HA LEU 79 HA LEU 79 -0.327 7.748 2.561 578 HB2 LEU 79 1HB LEU 79 1.671 8.991 2.698 579 HB3 LEU 79 2HB LEU 79 2.121 7.299 2.901 580 HG LEU 79 HG LEU 79 2.677 7.395 0.372 581 HD11 LEU 79 1HD1 LEU 79 2.081 9.363 -0.533 582 HD12 LEU 79 2HD1 LEU 79 3.616 9.918 0.133 583 HD13 LEU 79 3HD1 LEU 79 2.117 10.208 1.015 584 HD21 LEU 79 3HD2 LEU 79 4.197 7.397 2.522 585 HD22 LEU 79 1HD2 LEU 79 4.559 9.039 1.989 586 HD23 LEU 79 2HD2 LEU 79 4.881 7.673 0.920 587 H ALA 80 H ALA 80 -0.593 9.955 1.813 588 HA ALA 80 HA ALA 80 -1.206 10.033 -1.054 589 HB1 ALA 80 3HB ALA 80 -2.145 12.321 0.429 590 HB2 ALA 80 1HB ALA 80 -3.056 11.134 -0.504 591 HB3 ALA 80 2HB ALA 80 -2.665 10.815 1.186 592 H TYR 81 H TYR 81 -0.341 11.528 -2.417 593 HA TYR 81 HA TYR 81 1.391 13.613 -1.322 594 HB2 TYR 81 1HB TYR 81 3.269 13.021 -2.680 595 HB3 TYR 81 2HB TYR 81 2.779 11.569 -1.815 596 HD1 TYR 81 1HD TYR 81 2.561 13.283 -5.099 597 HD2 TYR 81 2HD TYR 81 2.200 9.610 -2.983 598 HE1 TYR 81 1HE TYR 81 2.397 12.076 -7.235 599 HE2 TYR 81 2HE TYR 81 2.037 8.392 -5.114 600 HH TYR 81 HH TYR 81 1.479 8.768 -7.410 601 H ASN 82 H ASN 82 1.264 15.483 -2.416 602 HA ASN 82 HA ASN 82 0.005 15.443 -5.078 603 HB2 ASN 82 1HB ASN 82 -1.351 17.296 -4.556 604 HB3 ASN 82 2HB ASN 82 -1.469 16.258 -3.138 605 HD21 ASN 82 1HD2 ASN 82 0.285 16.743 -1.457 606 HD22 ASN 82 2HD2 ASN 82 0.527 18.415 -1.094 607 H ARG 83 H ARG 83 0.230 17.921 -5.930 608 HA ARG 83 HA ARG 83 2.679 18.287 -6.948 609 HB2 ARG 83 1HB ARG 83 2.206 20.683 -7.152 610 HB3 ARG 83 2HB ARG 83 0.780 19.719 -7.513 611 HG2 ARG 83 1HG ARG 83 -0.116 20.187 -5.300 612 HG3 ARG 83 2HG ARG 83 1.328 21.122 -4.905 613 HD2 ARG 83 1HD ARG 83 -0.497 21.765 -7.213 614 HD3 ARG 83 2HD ARG 83 -0.674 22.471 -5.607 615 HE ARG 83 HE ARG 83 1.886 23.029 -6.196 616 HH11 ARG 83 1HH1 ARG 83 -1.072 23.454 -7.981 617 HH12 ARG 83 2HH1 ARG 83 -0.508 24.851 -8.837 618 HH21 ARG 83 1HH2 ARG 83 2.641 24.867 -7.316 619 HH22 ARG 83 2HH2 ARG 83 1.605 25.654 -8.458 620 H TYR 84 H TYR 84 1.658 19.502 -3.775 621 HA TYR 84 HA TYR 84 4.029 20.826 -3.100 622 HB2 TYR 84 1HB TYR 84 2.136 19.432 -1.199 623 HB3 TYR 84 2HB TYR 84 3.248 20.739 -0.807 624 HD1 TYR 84 1HD TYR 84 2.704 22.407 -3.313 625 HD2 TYR 84 2HD TYR 84 0.116 20.493 -0.531 626 HE1 TYR 84 1HE TYR 84 0.949 24.054 -3.821 627 HE2 TYR 84 2HE TYR 84 -1.647 22.133 -1.032 628 HH TYR 84 HH TYR 84 -2.050 24.164 -2.000 629 H GLY 85 H GLY 85 2.956 17.561 -2.130 630 HA2 GLY 85 1HA GLY 85 5.148 16.083 -2.626 631 HA3 GLY 85 2HA GLY 85 5.611 16.926 -1.155 632 HA PRO 86 HA PRO 86 3.283 12.969 -0.159 633 HB2 PRO 86 1HB PRO 86 5.283 11.800 1.256 634 HB3 PRO 86 2HB PRO 86 5.099 11.600 -0.490 635 HG2 PRO 86 1HG PRO 86 6.920 13.430 1.026 636 HG3 PRO 86 2HG PRO 86 7.266 12.440 -0.405 637 HD2 PRO 86 1HD PRO 86 6.764 15.096 -0.558 638 HD3 PRO 86 2HD PRO 86 6.307 13.962 -1.845 639 H GLY 87 H GLY 87 1.935 13.298 1.490 640 HA2 GLY 87 1HA GLY 87 2.779 14.898 3.770 641 HA3 GLY 87 2HA GLY 87 1.142 14.360 3.421 642 H VAL 88 H VAL 88 0.692 13.531 5.429 643 HA VAL 88 HA VAL 88 2.436 11.840 6.884 644 HB VAL 88 HB VAL 88 -0.569 12.079 7.105 645 HG11 VAL 88 1HG1 VAL 88 -0.483 10.555 8.717 646 HG12 VAL 88 2HG1 VAL 88 1.218 10.282 8.333 647 HG13 VAL 88 3HG1 VAL 88 0.769 11.468 9.558 648 HG21 VAL 88 3HG2 VAL 88 -0.169 13.703 8.840 649 HG22 VAL 88 1HG2 VAL 88 1.576 13.496 8.682 650 HG23 VAL 88 2HG2 VAL 88 0.651 14.222 7.368 651 H SER 89 H SER 89 2.659 9.665 6.941 652 HA SER 89 HA SER 89 1.229 8.142 4.876 653 HB2 SER 89 1HB SER 89 3.077 6.479 5.159 654 HB3 SER 89 2HB SER 89 3.634 8.066 4.627 655 HG SER 89 HG SER 89 4.972 7.653 6.257 656 H THR 90 H THR 90 0.179 6.232 5.341 657 HA THR 90 HA THR 90 -0.965 6.000 7.923 658 HB THR 90 HB THR 90 -2.005 3.927 7.076 659 HG1 THR 90 1HG THR 90 -0.512 3.029 5.739 660 HG21 THR 90 3HG2 THR 90 -2.047 6.380 5.340 661 HG22 THR 90 1HG2 THR 90 -3.224 5.866 6.548 662 HG23 THR 90 2HG2 THR 90 -3.093 4.997 5.018 663 H ASP 91 H ASP 91 -0.895 4.083 9.298 664 HA ASP 91 HA ASP 91 1.758 3.372 9.979 665 HB2 ASP 91 1HB ASP 91 -0.938 2.385 10.894 666 HB3 ASP 91 2HB ASP 91 0.562 1.703 11.517 667 H ASP 92 H ASP 92 2.915 1.514 9.668 668 HA ASP 92 HA ASP 92 2.832 0.123 7.359 669 HB2 ASP 92 1HB ASP 92 4.072 -1.697 8.495 670 HB3 ASP 92 2HB ASP 92 4.678 -0.099 8.922 671 H ILE 93 H ILE 93 1.312 -1.038 6.398 672 HA ILE 93 HA ILE 93 -0.808 -2.267 7.948 673 HB ILE 93 HB ILE 93 -0.377 -2.141 4.961 674 HG12 ILE 93 1HG1 ILE 93 -2.428 -0.676 6.621 675 HG13 ILE 93 2HG1 ILE 93 -0.854 0.013 6.237 676 HG21 ILE 93 1HG2 ILE 93 -2.096 -3.522 4.665 677 HG22 ILE 93 2HG2 ILE 93 -1.964 -3.920 6.377 678 HG23 ILE 93 3HG2 ILE 93 -3.080 -2.662 5.848 679 HD11 ILE 93 3HD1 ILE 93 -2.074 0.905 4.551 680 HD12 ILE 93 1HD1 ILE 93 -1.600 -0.607 3.777 681 HD13 ILE 93 2HD1 ILE 93 -3.202 -0.450 4.498 682 H THR 94 H THR 94 -0.344 -4.164 8.865 683 HA THR 94 HA THR 94 1.389 -6.073 7.506 684 HB THR 94 HB THR 94 0.079 -6.376 10.212 685 HG1 THR 94 1HG THR 94 2.445 -5.061 9.406 686 HG21 THR 94 3HG2 THR 94 2.088 -7.883 10.555 687 HG22 THR 94 1HG2 THR 94 2.354 -7.774 8.816 688 HG23 THR 94 2HG2 THR 94 0.861 -8.477 9.437 689 H VAL 95 H VAL 95 0.512 -7.446 6.111 690 HA VAL 95 HA VAL 95 -2.068 -8.686 6.788 691 HB VAL 95 HB VAL 95 -1.273 -7.711 4.041 692 HG11 VAL 95 1HG1 VAL 95 -3.329 -9.596 4.990 693 HG12 VAL 95 2HG1 VAL 95 -3.873 -8.385 3.827 694 HG13 VAL 95 3HG1 VAL 95 -2.542 -9.469 3.417 695 HG21 VAL 95 3HG2 VAL 95 -3.654 -6.815 5.632 696 HG22 VAL 95 1HG2 VAL 95 -2.083 -6.033 5.806 697 HG23 VAL 95 2HG2 VAL 95 -2.895 -6.040 4.241 698 H VAL 96 H VAL 96 -1.564 -10.744 7.183 699 HA VAL 96 HA VAL 96 0.625 -12.066 5.854 700 HB VAL 96 HB VAL 96 -1.448 -13.243 7.710 701 HG11 VAL 96 1HG1 VAL 96 0.723 -14.755 8.073 702 HG12 VAL 96 2HG1 VAL 96 -0.503 -15.121 6.857 703 HG13 VAL 96 3HG1 VAL 96 0.983 -14.294 6.391 704 HG21 VAL 96 3HG2 VAL 96 0.627 -11.383 8.247 705 HG22 VAL 96 1HG2 VAL 96 -0.445 -12.194 9.389 706 HG23 VAL 96 2HG2 VAL 96 1.092 -12.934 8.944 707 H THR 97 H THR 97 0.414 -12.796 3.848 708 HA THR 97 HA THR 97 -1.928 -13.147 2.421 709 HB THR 97 HB THR 97 -0.532 -14.733 0.964 710 HG1 THR 97 1HG THR 97 1.440 -15.201 1.616 711 HG21 THR 97 3HG2 THR 97 -0.728 -12.498 0.250 712 HG22 THR 97 1HG2 THR 97 1.007 -12.812 0.274 713 HG23 THR 97 2HG2 THR 97 0.258 -11.897 1.583 714 H LEU 98 H LEU 98 -3.021 -15.055 1.684 715 HA LEU 98 HA LEU 98 -3.853 -16.774 3.694 716 HB2 LEU 98 1HB LEU 98 -3.892 -17.377 0.743 717 HB3 LEU 98 2HB LEU 98 -4.948 -18.057 1.979 718 HG LEU 98 HG LEU 98 -4.956 -15.259 0.869 719 HD11 LEU 98 1HD1 LEU 98 -7.031 -15.773 -0.005 720 HD12 LEU 98 2HD1 LEU 98 -7.290 -17.109 1.117 721 HD13 LEU 98 3HD1 LEU 98 -6.152 -17.288 -0.218 722 HD21 LEU 98 3HD2 LEU 98 -7.074 -15.446 2.622 723 HD22 LEU 98 1HD2 LEU 98 -5.576 -14.554 2.892 724 HD23 LEU 98 2HD2 LEU 98 -5.746 -16.199 3.506 725 H SER 99 H SER 99 -3.800 -19.342 2.976 726 HA SER 99 HA SER 99 -0.954 -20.063 2.767 727 HB2 SER 99 1HB SER 99 -1.372 -20.324 5.074 728 HB3 SER 99 2HB SER 99 -2.980 -20.992 4.795 729 HG SER 99 HG SER 99 -1.731 -22.725 5.238 730 H ASP 100 H ASP 100 -3.968 -20.354 1.476 731 HA ASP 100 HA ASP 100 -4.813 -21.649 -0.198 732 HB2 ASP 100 1HB ASP 100 -2.287 -21.671 -0.842 733 HB3 ASP 100 2HB ASP 100 -2.321 -23.322 -0.229 734 H SER 101 H SER 101 -5.451 -22.264 2.418 735 HA SER 101 HA SER 101 -5.176 -25.103 2.850 736 HB2 SER 101 1HB SER 101 -5.226 -23.824 4.840 737 HB3 SER 101 2HB SER 101 -6.629 -22.898 4.307 738 HG SER 101 HG SER 101 -7.927 -24.609 4.710 739 H GLY 102 H GLY 102 -6.761 -26.663 2.672 740 HA2 GLY 102 1HA GLY 102 -9.455 -26.017 1.914 741 HA3 GLY 102 2HA GLY 102 -8.503 -26.625 0.567 742 HA PRO 103 HA PRO 103 -8.619 -30.250 3.753 743 HB2 PRO 103 1HB PRO 103 -10.122 -29.893 5.984 744 HB3 PRO 103 2HB PRO 103 -8.410 -29.462 5.900 745 HG2 PRO 103 1HG PRO 103 -10.820 -27.707 5.630 746 HG3 PRO 103 2HG PRO 103 -9.315 -27.410 6.518 747 HD2 PRO 103 1HD PRO 103 -9.803 -26.340 4.079 748 HD3 PRO 103 2HD PRO 103 -8.170 -26.783 4.618 749 H SER 104 H SER 104 -10.141 -31.961 3.975 750 HA SER 104 HA SER 104 -12.877 -31.319 3.102 751 HB2 SER 104 1HB SER 104 -10.960 -33.329 1.964 752 HB3 SER 104 2HB SER 104 -12.697 -33.620 1.875 753 HG SER 104 HG SER 104 -11.158 -31.612 0.661 754 H SER 105 H SER 105 -14.282 -33.412 3.336 755 HA SER 105 HA SER 105 -14.713 -33.940 5.973 756 HB2 SER 105 1HB SER 105 -16.383 -34.609 4.426 757 HB3 SER 105 2HB SER 105 -15.262 -35.651 3.549 758 HG SER 105 HG SER 105 -16.494 -36.064 6.046 759 H GLY 106 H GLY 106 -13.584 -34.903 7.520 760 HA2 GLY 106 1HA GLY 106 -12.316 -36.531 8.577 761 HA3 GLY 106 2HA GLY 106 -12.196 -37.385 7.046 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.215 27.064 10.922 2 HA2 GLY 1 1HA GLY 1 5.456 28.565 9.454 3 HA3 GLY 1 2HA GLY 1 6.930 27.981 10.212 4 H SER 2 H SER 2 4.089 26.486 8.655 5 HA SER 2 HA SER 2 5.918 24.666 7.258 6 HB2 SER 2 1HB SER 2 3.969 23.786 8.651 7 HB3 SER 2 2HB SER 2 2.912 24.425 7.393 8 HG SER 2 HG SER 2 4.886 22.410 7.162 9 H SER 3 H SER 3 5.854 27.269 6.305 10 HA SER 3 HA SER 3 4.038 27.897 4.323 11 HB2 SER 3 1HB SER 3 7.018 28.436 4.303 12 HB3 SER 3 2HB SER 3 5.815 29.279 3.327 13 HG SER 3 HG SER 3 6.216 29.364 6.116 14 H GLY 4 H GLY 4 7.065 26.049 3.981 15 HA2 GLY 4 1HA GLY 4 6.686 25.500 1.215 16 HA3 GLY 4 2HA GLY 4 7.818 24.688 2.286 17 H SER 5 H SER 5 7.036 22.910 0.755 18 HA SER 5 HA SER 5 4.589 21.768 0.648 19 HB2 SER 5 1HB SER 5 5.703 19.573 0.455 20 HB3 SER 5 2HB SER 5 6.548 20.814 -0.471 21 HG SER 5 HG SER 5 7.368 20.417 2.158 22 H SER 6 H SER 6 3.148 21.543 2.227 23 HA SER 6 HA SER 6 4.006 20.866 4.924 24 HB2 SER 6 1HB SER 6 2.347 22.648 4.649 25 HB3 SER 6 2HB SER 6 1.259 21.526 3.832 26 HG SER 6 HG SER 6 0.797 21.820 6.089 27 H GLY 7 H GLY 7 2.687 19.341 2.147 28 HA2 GLY 7 1HA GLY 7 2.339 17.089 1.755 29 HA3 GLY 7 2HA GLY 7 2.789 16.770 3.424 30 HA PRO 8 HA PRO 8 -1.991 17.012 2.630 31 HB2 PRO 8 1HB PRO 8 -2.559 14.678 1.365 32 HB3 PRO 8 2HB PRO 8 -2.243 16.187 0.500 33 HG2 PRO 8 1HG PRO 8 -0.401 13.887 1.032 34 HG3 PRO 8 2HG PRO 8 -0.620 14.824 -0.458 35 HD2 PRO 8 1HD PRO 8 1.442 15.254 1.243 36 HD3 PRO 8 2HD PRO 8 0.706 16.556 0.287 37 H GLY 9 H GLY 9 -3.620 15.233 3.369 38 HA2 GLY 9 1HA GLY 9 -2.471 14.038 5.773 39 HA3 GLY 9 2HA GLY 9 -4.182 14.257 5.436 40 HA PRO 10 HA PRO 10 -2.669 9.831 4.575 41 HB2 PRO 10 1HB PRO 10 -3.773 8.618 6.738 42 HB3 PRO 10 2HB PRO 10 -2.129 9.268 6.736 43 HG2 PRO 10 1HG PRO 10 -4.643 10.480 7.818 44 HG3 PRO 10 2HG PRO 10 -3.023 10.434 8.538 45 HD2 PRO 10 1HD PRO 10 -3.992 12.621 7.269 46 HD3 PRO 10 2HD PRO 10 -2.268 12.197 7.260 47 H VAL 11 H VAL 11 -3.976 9.000 3.081 48 HA VAL 11 HA VAL 11 -6.559 9.581 2.524 49 HB VAL 11 HB VAL 11 -6.759 7.436 1.363 50 HG11 VAL 11 1HG1 VAL 11 -4.224 9.001 1.160 51 HG12 VAL 11 2HG1 VAL 11 -4.462 7.582 0.138 52 HG13 VAL 11 3HG1 VAL 11 -5.594 8.932 0.051 53 HG21 VAL 11 3HG2 VAL 11 -4.672 5.921 1.516 54 HG22 VAL 11 1HG2 VAL 11 -4.398 6.724 3.063 55 HG23 VAL 11 2HG2 VAL 11 -5.887 5.820 2.790 56 H GLU 12 H GLU 12 -8.541 8.215 2.710 57 HA GLU 12 HA GLU 12 -8.763 7.125 5.439 58 HB2 GLU 12 1HB GLU 12 -10.967 8.355 3.777 59 HB3 GLU 12 2HB GLU 12 -11.077 7.838 5.453 60 HG2 GLU 12 1HG GLU 12 -9.041 9.878 4.740 61 HG3 GLU 12 2HG GLU 12 -10.734 10.363 4.801 62 H ASN 13 H ASN 13 -10.896 5.699 5.537 63 HA ASN 13 HA ASN 13 -11.570 3.544 5.130 64 HB2 ASN 13 1HB ASN 13 -11.922 4.826 2.412 65 HB3 ASN 13 2HB ASN 13 -12.646 3.294 2.892 66 HD21 ASN 13 1HD2 ASN 13 -13.407 6.338 2.378 67 HD22 ASN 13 2HD2 ASN 13 -14.641 6.584 3.562 68 H LEU 14 H LEU 14 -8.786 3.720 5.051 69 HA LEU 14 HA LEU 14 -7.906 2.239 2.705 70 HB2 LEU 14 1HB LEU 14 -6.397 3.915 3.384 71 HB3 LEU 14 2HB LEU 14 -6.493 3.426 5.074 72 HG LEU 14 HG LEU 14 -5.437 1.193 4.071 73 HD11 LEU 14 1HD1 LEU 14 -4.029 1.503 2.246 74 HD12 LEU 14 2HD1 LEU 14 -4.129 3.261 2.342 75 HD13 LEU 14 3HD1 LEU 14 -5.512 2.330 1.766 76 HD21 LEU 14 3HD2 LEU 14 -3.410 3.290 4.376 77 HD22 LEU 14 1HD2 LEU 14 -3.639 1.789 5.273 78 HD23 LEU 14 2HD2 LEU 14 -4.595 3.214 5.681 79 H GLN 15 H GLN 15 -7.870 0.098 2.633 80 HA GLN 15 HA GLN 15 -7.209 -1.465 4.974 81 HB2 GLN 15 1HB GLN 15 -9.942 -1.484 3.737 82 HB3 GLN 15 2HB GLN 15 -9.302 -2.934 4.498 83 HG2 GLN 15 1HG GLN 15 -8.949 -1.603 6.573 84 HG3 GLN 15 2HG GLN 15 -9.783 -0.262 5.790 85 HE21 GLN 15 1HE2 GLN 15 -10.376 -2.064 8.150 86 HE22 GLN 15 2HE2 GLN 15 -11.997 -2.594 7.874 87 H ALA 16 H ALA 16 -6.193 -3.326 4.452 88 HA ALA 16 HA ALA 16 -6.235 -4.144 1.620 89 HB1 ALA 16 3HB ALA 16 -3.804 -4.608 3.274 90 HB2 ALA 16 1HB ALA 16 -3.957 -4.362 1.534 91 HB3 ALA 16 2HB ALA 16 -4.102 -2.991 2.635 92 H VAL 17 H VAL 17 -6.621 -6.240 1.218 93 HA VAL 17 HA VAL 17 -6.210 -8.236 3.301 94 HB VAL 17 HB VAL 17 -8.447 -9.145 3.156 95 HG11 VAL 17 1HG1 VAL 17 -9.594 -7.535 4.436 96 HG12 VAL 17 2HG1 VAL 17 -7.881 -7.241 4.743 97 HG13 VAL 17 3HG1 VAL 17 -8.773 -6.196 3.636 98 HG21 VAL 17 3HG2 VAL 17 -9.119 -6.821 1.354 99 HG22 VAL 17 1HG2 VAL 17 -8.883 -8.483 0.814 100 HG23 VAL 17 2HG2 VAL 17 -10.218 -8.089 1.896 101 H SER 18 H SER 18 -5.679 -10.206 2.510 102 HA SER 18 HA SER 18 -5.353 -10.419 -0.376 103 HB2 SER 18 1HB SER 18 -3.448 -10.981 1.080 104 HB3 SER 18 2HB SER 18 -4.404 -12.253 1.840 105 HG SER 18 HG SER 18 -3.361 -12.129 -0.771 106 H THR 19 H THR 19 -6.591 -11.628 -1.657 107 HA THR 19 HA THR 19 -8.566 -13.406 -0.390 108 HB THR 19 HB THR 19 -10.061 -13.005 -2.169 109 HG1 THR 19 1HG THR 19 -9.405 -11.920 -4.076 110 HG21 THR 19 3HG2 THR 19 -10.027 -11.128 -0.677 111 HG22 THR 19 1HG2 THR 19 -10.175 -10.508 -2.321 112 HG23 THR 19 2HG2 THR 19 -8.621 -10.442 -1.490 113 H SER 20 H SER 20 -5.802 -14.117 -1.085 114 HA SER 20 HA SER 20 -6.283 -16.638 -2.249 115 HB2 SER 20 1HB SER 20 -5.671 -14.470 -4.100 116 HB3 SER 20 2HB SER 20 -4.503 -15.788 -4.207 117 HG SER 20 HG SER 20 -7.077 -16.674 -4.045 118 HA PRO 21 HA PRO 21 -2.405 -17.964 -0.691 119 HB2 PRO 21 1HB PRO 21 -1.311 -18.218 -3.455 120 HB3 PRO 21 2HB PRO 21 -1.334 -19.400 -2.140 121 HG2 PRO 21 1HG PRO 21 -3.038 -19.570 -4.201 122 HG3 PRO 21 2HG PRO 21 -3.520 -20.020 -2.555 123 HD2 PRO 21 1HD PRO 21 -4.250 -17.650 -4.160 124 HD3 PRO 21 2HD PRO 21 -5.156 -18.482 -2.880 125 H THR 22 H THR 22 -1.857 -15.941 -3.579 126 HA THR 22 HA THR 22 -0.031 -14.283 -1.984 127 HB THR 22 HB THR 22 1.599 -14.156 -3.735 128 HG1 THR 22 1HG THR 22 0.674 -14.325 -5.661 129 HG21 THR 22 3HG2 THR 22 1.853 -16.069 -2.261 130 HG22 THR 22 1HG2 THR 22 2.348 -16.505 -3.896 131 HG23 THR 22 2HG2 THR 22 0.781 -17.028 -3.280 132 H SER 23 H SER 23 -1.563 -12.651 -1.839 133 HA SER 23 HA SER 23 -1.678 -10.858 -4.053 134 HB2 SER 23 1HB SER 23 -3.959 -10.936 -4.624 135 HB3 SER 23 2HB SER 23 -3.494 -12.634 -4.523 136 HG SER 23 HG SER 23 -5.463 -12.167 -3.417 137 H ILE 24 H ILE 24 -3.194 -8.958 -3.504 138 HA ILE 24 HA ILE 24 -3.819 -8.550 -0.736 139 HB ILE 24 HB ILE 24 -1.501 -7.022 -1.923 140 HG12 ILE 24 1HG1 ILE 24 -1.731 -9.010 0.336 141 HG13 ILE 24 2HG1 ILE 24 -0.733 -9.129 -1.109 142 HG21 ILE 24 1HG2 ILE 24 -2.702 -5.426 -0.709 143 HG22 ILE 24 2HG2 ILE 24 -3.135 -6.580 0.552 144 HG23 ILE 24 3HG2 ILE 24 -1.476 -5.997 0.423 145 HD11 ILE 24 3HD1 ILE 24 0.748 -8.600 0.610 146 HD12 ILE 24 1HD1 ILE 24 0.481 -7.073 -0.230 147 HD13 ILE 24 2HD1 ILE 24 -0.339 -7.394 1.298 148 H LEU 25 H LEU 25 -5.787 -7.733 -1.129 149 HA LEU 25 HA LEU 25 -6.202 -5.812 -3.264 150 HB2 LEU 25 1HB LEU 25 -7.788 -7.709 -2.634 151 HB3 LEU 25 2HB LEU 25 -8.237 -6.717 -1.248 152 HG LEU 25 HG LEU 25 -9.010 -4.955 -2.783 153 HD11 LEU 25 1HD1 LEU 25 -9.346 -6.156 -5.209 154 HD12 LEU 25 2HD1 LEU 25 -7.737 -6.708 -4.746 155 HD13 LEU 25 3HD1 LEU 25 -8.088 -4.982 -4.820 156 HD21 LEU 25 3HD2 LEU 25 -10.800 -6.616 -3.920 157 HD22 LEU 25 1HD2 LEU 25 -10.860 -6.120 -2.228 158 HD23 LEU 25 2HD2 LEU 25 -10.147 -7.672 -2.667 159 H ILE 26 H ILE 26 -5.422 -3.838 -2.782 160 HA ILE 26 HA ILE 26 -5.911 -2.709 -0.128 161 HB ILE 26 HB ILE 26 -4.327 -1.474 -2.379 162 HG12 ILE 26 1HG1 ILE 26 -3.012 -2.808 -0.056 163 HG13 ILE 26 2HG1 ILE 26 -3.622 -3.824 -1.358 164 HG21 ILE 26 1HG2 ILE 26 -4.829 0.201 -0.838 165 HG22 ILE 26 2HG2 ILE 26 -4.658 -0.884 0.540 166 HG23 ILE 26 3HG2 ILE 26 -3.229 -0.352 -0.346 167 HD11 ILE 26 3HD1 ILE 26 -1.875 -3.347 -2.626 168 HD12 ILE 26 1HD1 ILE 26 -2.121 -1.614 -2.416 169 HD13 ILE 26 2HD1 ILE 26 -1.170 -2.519 -1.238 170 H THR 27 H THR 27 -7.831 -1.760 0.092 171 HA THR 27 HA THR 27 -8.894 -0.178 -2.150 172 HB THR 27 HB THR 27 -11.094 -0.371 -1.064 173 HG1 THR 27 1HG THR 27 -10.705 -0.667 1.067 174 HG21 THR 27 3HG2 THR 27 -9.616 -2.463 -2.294 175 HG22 THR 27 1HG2 THR 27 -11.358 -2.193 -2.317 176 HG23 THR 27 2HG2 THR 27 -10.636 -3.179 -1.046 177 H TRP 28 H TRP 28 -8.127 1.848 -1.886 178 HA TRP 28 HA TRP 28 -8.474 3.103 0.757 179 HB2 TRP 28 1HB TRP 28 -6.699 4.646 0.160 180 HB3 TRP 28 2HB TRP 28 -6.132 2.993 -0.056 181 HD1 TRP 28 HD TRP 28 -6.576 6.224 -1.895 182 HE1 TRP 28 1HE TRP 28 -5.843 5.941 -4.346 183 HE3 TRP 28 3HE TRP 28 -6.147 1.131 -2.030 184 HZ2 TRP 28 2HZ TRP 28 -5.172 3.837 -6.104 185 HZ3 TRP 28 3HZ TRP 28 -5.455 0.062 -4.135 186 HH2 TRP 28 HH TRP 28 -4.979 1.388 -6.129 187 H GLU 29 H GLU 29 -8.565 5.658 0.380 188 HA GLU 29 HA GLU 29 -10.234 6.376 -1.882 189 HB2 GLU 29 1HB GLU 29 -11.270 6.035 0.877 190 HB3 GLU 29 2HB GLU 29 -11.801 7.470 0.011 191 HG2 GLU 29 1HG GLU 29 -12.322 5.760 -1.896 192 HG3 GLU 29 2HG GLU 29 -12.331 4.599 -0.569 193 HA PRO 30 HA PRO 30 -8.403 10.334 -1.415 194 HB2 PRO 30 1HB PRO 30 -10.430 12.024 -2.050 195 HB3 PRO 30 2HB PRO 30 -9.609 11.016 -3.248 196 HG2 PRO 30 1HG PRO 30 -12.223 10.560 -1.862 197 HG3 PRO 30 2HG PRO 30 -11.803 10.318 -3.568 198 HD2 PRO 30 1HD PRO 30 -11.927 8.276 -1.794 199 HD3 PRO 30 2HD PRO 30 -10.795 8.285 -3.162 200 HA PRO 31 HA PRO 31 -9.351 11.500 2.785 201 HB2 PRO 31 1HB PRO 31 -7.377 13.348 3.022 202 HB3 PRO 31 2HB PRO 31 -7.078 11.608 3.103 203 HG2 PRO 31 1HG PRO 31 -6.714 13.487 0.801 204 HG3 PRO 31 2HG PRO 31 -5.649 12.184 1.361 205 HD2 PRO 31 1HD PRO 31 -7.318 11.896 -0.752 206 HD3 PRO 31 2HD PRO 31 -6.899 10.548 0.324 207 H ALA 32 H ALA 32 -10.099 13.365 3.917 208 HA ALA 32 HA ALA 32 -11.265 15.382 2.134 209 HB1 ALA 32 3HB ALA 32 -12.757 14.042 3.625 210 HB2 ALA 32 1HB ALA 32 -11.989 14.827 5.005 211 HB3 ALA 32 2HB ALA 32 -12.892 15.788 3.834 212 H TYR 33 H TYR 33 -9.542 15.104 5.231 213 HA TYR 33 HA TYR 33 -9.124 17.964 5.364 214 HB2 TYR 33 1HB TYR 33 -7.699 17.260 7.395 215 HB3 TYR 33 2HB TYR 33 -9.439 17.010 7.481 216 HD1 TYR 33 2HD TYR 33 -6.330 15.194 6.478 217 HD2 TYR 33 1HD TYR 33 -10.221 14.951 8.183 218 HE1 TYR 33 2HE TYR 33 -5.957 12.815 6.976 219 HE2 TYR 33 1HE TYR 33 -9.858 12.571 8.687 220 HH TYR 33 HH TYR 33 -7.875 10.692 7.363 221 H ALA 34 H ALA 34 -8.046 16.838 3.038 222 HA ALA 34 HA ALA 34 -5.179 16.584 3.458 223 HB1 ALA 34 3HB ALA 34 -6.122 15.077 1.864 224 HB2 ALA 34 1HB ALA 34 -6.883 16.400 0.980 225 HB3 ALA 34 2HB ALA 34 -5.127 16.237 0.984 226 H ASN 35 H ASN 35 -3.638 17.926 2.361 227 HA ASN 35 HA ASN 35 -4.529 20.705 2.209 228 HB2 ASN 35 1HB ASN 35 -2.635 20.335 3.651 229 HB3 ASN 35 2HB ASN 35 -1.776 19.467 2.381 230 HD21 ASN 35 1HD2 ASN 35 -0.029 20.894 2.586 231 HD22 ASN 35 2HD2 ASN 35 -0.088 22.492 1.932 232 H GLY 36 H GLY 36 -5.540 20.639 0.163 233 HA2 GLY 36 1HA GLY 36 -5.309 21.413 -2.052 234 HA3 GLY 36 2HA GLY 36 -3.638 20.867 -2.044 235 HA PRO 37 HA PRO 37 -6.149 17.875 -4.549 236 HB2 PRO 37 1HB PRO 37 -4.412 17.795 -6.634 237 HB3 PRO 37 2HB PRO 37 -5.696 19.002 -6.499 238 HG2 PRO 37 1HG PRO 37 -2.787 19.249 -5.834 239 HG3 PRO 37 2HG PRO 37 -3.844 20.398 -6.675 240 HD2 PRO 37 1HD PRO 37 -3.187 20.666 -4.062 241 HD3 PRO 37 2HD PRO 37 -4.754 21.191 -4.711 242 H VAL 38 H VAL 38 -5.197 15.831 -5.684 243 HA VAL 38 HA VAL 38 -2.907 14.805 -4.149 244 HB VAL 38 HB VAL 38 -5.505 13.339 -4.627 245 HG11 VAL 38 1HG1 VAL 38 -4.188 11.524 -4.638 246 HG12 VAL 38 2HG1 VAL 38 -2.802 12.406 -3.992 247 HG13 VAL 38 3HG1 VAL 38 -4.053 11.806 -2.903 248 HG21 VAL 38 3HG2 VAL 38 -4.732 13.388 -1.902 249 HG22 VAL 38 1HG2 VAL 38 -4.631 15.038 -2.518 250 HG23 VAL 38 2HG2 VAL 38 -6.141 14.136 -2.654 251 H GLN 39 H GLN 39 -1.547 14.976 -5.929 252 HA GLN 39 HA GLN 39 -1.905 14.417 -8.538 253 HB2 GLN 39 1HB GLN 39 0.441 13.664 -6.797 254 HB3 GLN 39 2HB GLN 39 0.466 13.523 -8.550 255 HG2 GLN 39 1HG GLN 39 0.131 16.042 -6.941 256 HG3 GLN 39 2HG GLN 39 1.531 15.569 -7.902 257 HE21 GLN 39 1HE2 GLN 39 -0.227 17.930 -8.052 258 HE22 GLN 39 2HE2 GLN 39 -0.812 17.967 -9.677 259 H GLY 40 H GLY 40 -1.307 11.979 -6.023 260 HA2 GLY 40 1HA GLY 40 -2.928 10.029 -7.256 261 HA3 GLY 40 2HA GLY 40 -1.250 9.727 -7.683 262 H TYR 41 H TYR 41 -0.801 7.927 -6.541 263 HA TYR 41 HA TYR 41 -0.667 8.191 -3.653 264 HB2 TYR 41 1HB TYR 41 -2.106 5.836 -4.884 265 HB3 TYR 41 2HB TYR 41 -1.885 6.167 -3.170 266 HD1 TYR 41 2HD TYR 41 -3.149 7.989 -2.087 267 HD2 TYR 41 1HD TYR 41 -3.837 6.912 -6.145 268 HE1 TYR 41 2HE TYR 41 -5.286 9.208 -2.042 269 HE2 TYR 41 1HE TYR 41 -5.975 8.128 -6.112 270 HH TYR 41 HH TYR 41 -7.193 9.621 -3.144 271 H ARG 42 H ARG 42 0.886 6.892 -2.705 272 HA ARG 42 HA ARG 42 2.519 5.300 -4.572 273 HB2 ARG 42 1HB ARG 42 3.266 7.305 -2.509 274 HB3 ARG 42 2HB ARG 42 4.317 5.907 -2.687 275 HG2 ARG 42 1HG ARG 42 4.776 6.433 -4.955 276 HG3 ARG 42 2HG ARG 42 3.515 7.667 -4.987 277 HD2 ARG 42 1HD ARG 42 4.945 8.669 -3.004 278 HD3 ARG 42 2HD ARG 42 6.233 7.747 -3.780 279 HE ARG 42 HE ARG 42 4.700 9.456 -5.541 280 HH11 ARG 42 1HH1 ARG 42 7.506 9.133 -3.505 281 HH12 ARG 42 2HH1 ARG 42 8.379 10.411 -4.284 282 HH21 ARG 42 1HH2 ARG 42 5.840 11.140 -6.574 283 HH22 ARG 42 2HH2 ARG 42 7.431 11.552 -6.029 284 H LEU 43 H LEU 43 2.822 3.226 -4.071 285 HA LEU 43 HA LEU 43 2.098 2.339 -1.357 286 HB2 LEU 43 1HB LEU 43 0.540 1.398 -2.834 287 HB3 LEU 43 2HB LEU 43 1.774 1.042 -4.041 288 HG LEU 43 HG LEU 43 2.683 -0.610 -2.256 289 HD11 LEU 43 1HD1 LEU 43 1.078 0.314 -0.520 290 HD12 LEU 43 2HD1 LEU 43 1.158 -1.441 -0.673 291 HD13 LEU 43 3HD1 LEU 43 -0.191 -0.554 -1.384 292 HD21 LEU 43 3HD2 LEU 43 1.429 -1.018 -4.491 293 HD22 LEU 43 1HD2 LEU 43 0.064 -1.421 -3.450 294 HD23 LEU 43 2HD2 LEU 43 1.569 -2.333 -3.323 295 H PHE 44 H PHE 44 3.483 1.065 -0.227 296 HA PHE 44 HA PHE 44 5.964 0.225 -1.563 297 HB2 PHE 44 1HB PHE 44 5.869 1.332 1.244 298 HB3 PHE 44 2HB PHE 44 7.297 0.954 0.287 299 HD1 PHE 44 1HD PHE 44 4.533 3.318 0.759 300 HD2 PHE 44 2HD PHE 44 8.118 2.469 -1.373 301 HE1 PHE 44 1HE PHE 44 4.593 5.638 -0.057 302 HE2 PHE 44 2HE PHE 44 8.184 4.788 -2.192 303 HZ PHE 44 HZ PHE 44 6.420 6.376 -1.533 304 H CYS 45 H CYS 45 6.228 -1.893 -1.409 305 HA CYS 45 HA CYS 45 4.971 -3.312 0.840 306 HB2 CYS 45 1HB CYS 45 4.083 -4.077 -1.249 307 HB3 CYS 45 2HB CYS 45 5.692 -4.231 -1.944 308 HG CYS 45 HG CYS 45 5.851 -6.141 0.594 309 H THR 46 H THR 46 6.265 -4.087 2.357 310 HA THR 46 HA THR 46 9.075 -4.644 1.660 311 HB THR 46 HB THR 46 8.043 -3.829 4.381 312 HG1 THR 46 1HG THR 46 7.881 -2.035 3.076 313 HG21 THR 46 3HG2 THR 46 10.376 -3.548 4.949 314 HG22 THR 46 1HG2 THR 46 10.862 -3.963 3.306 315 HG23 THR 46 2HG2 THR 46 10.123 -5.184 4.342 316 H GLU 47 H GLU 47 9.715 -6.684 1.874 317 HA GLU 47 HA GLU 47 7.934 -8.631 3.060 318 HB2 GLU 47 1HB GLU 47 9.156 -9.032 0.911 319 HB3 GLU 47 2HB GLU 47 10.657 -9.069 1.826 320 HG2 GLU 47 1HG GLU 47 9.759 -10.972 3.131 321 HG3 GLU 47 2HG GLU 47 8.340 -10.971 2.084 322 H VAL 48 H VAL 48 7.964 -8.411 5.255 323 HA VAL 48 HA VAL 48 10.021 -7.789 6.941 324 HB VAL 48 HB VAL 48 7.880 -9.852 7.484 325 HG11 VAL 48 1HG1 VAL 48 8.252 -9.447 9.808 326 HG12 VAL 48 2HG1 VAL 48 9.811 -9.828 9.075 327 HG13 VAL 48 3HG1 VAL 48 9.400 -8.156 9.457 328 HG21 VAL 48 3HG2 VAL 48 7.834 -6.922 8.172 329 HG22 VAL 48 1HG2 VAL 48 7.112 -7.579 6.703 330 HG23 VAL 48 2HG2 VAL 48 6.514 -8.086 8.282 331 H SER 49 H SER 49 9.390 -10.869 5.384 332 HA SER 49 HA SER 49 11.016 -12.561 6.845 333 HB2 SER 49 1HB SER 49 9.496 -13.190 4.926 334 HB3 SER 49 2HB SER 49 10.763 -12.635 3.833 335 HG SER 49 HG SER 49 11.523 -14.421 5.820 336 H THR 50 H THR 50 11.961 -10.866 3.849 337 HA THR 50 HA THR 50 14.769 -11.277 4.513 338 HB THR 50 HB THR 50 15.206 -10.285 2.268 339 HG1 THR 50 1HG THR 50 13.406 -9.000 1.960 340 HG21 THR 50 3HG2 THR 50 13.748 -12.758 2.816 341 HG22 THR 50 1HG2 THR 50 15.190 -12.488 1.838 342 HG23 THR 50 2HG2 THR 50 13.591 -12.205 1.149 343 H GLY 51 H GLY 51 12.603 -8.562 3.705 344 HA2 GLY 51 1HA GLY 51 12.695 -6.585 5.149 345 HA3 GLY 51 2HA GLY 51 14.437 -6.809 5.219 346 H LYS 52 H LYS 52 12.784 -7.278 2.212 347 HA LYS 52 HA LYS 52 14.119 -4.893 1.156 348 HB2 LYS 52 1HB LYS 52 13.817 -5.895 -1.041 349 HB3 LYS 52 2HB LYS 52 14.586 -7.042 0.047 350 HG2 LYS 52 1HG LYS 52 12.584 -8.290 0.287 351 HG3 LYS 52 2HG LYS 52 11.633 -7.038 -0.516 352 HD2 LYS 52 1HD LYS 52 11.910 -8.618 -2.192 353 HD3 LYS 52 2HD LYS 52 13.213 -7.475 -2.525 354 HE2 LYS 52 1HE LYS 52 14.847 -8.919 -1.787 355 HE3 LYS 52 2HE LYS 52 13.741 -9.802 -0.736 356 HZ1 LYS 52 3HZ LYS 52 13.270 -9.932 -3.618 357 HZ2 LYS 52 1HZ LYS 52 13.026 -11.110 -2.429 358 HZ3 LYS 52 2HZ LYS 52 14.586 -10.799 -3.003 359 H GLU 53 H GLU 53 13.029 -3.180 0.382 360 HA GLU 53 HA GLU 53 10.090 -3.327 0.422 361 HB2 GLU 53 1HB GLU 53 11.097 -1.737 2.021 362 HB3 GLU 53 2HB GLU 53 11.875 -0.901 0.685 363 HG2 GLU 53 1HG GLU 53 9.907 0.014 -0.072 364 HG3 GLU 53 2HG GLU 53 8.915 -1.238 0.673 365 H GLN 54 H GLN 54 8.980 -3.015 -1.402 366 HA GLN 54 HA GLN 54 10.454 -2.036 -3.757 367 HB2 GLN 54 1HB GLN 54 9.045 -3.430 -5.139 368 HB3 GLN 54 2HB GLN 54 9.776 -4.418 -3.881 369 HG2 GLN 54 1HG GLN 54 7.648 -4.171 -2.582 370 HG3 GLN 54 2HG GLN 54 6.947 -3.414 -4.012 371 HE21 GLN 54 1HE2 GLN 54 5.538 -5.406 -3.425 372 HE22 GLN 54 2HE2 GLN 54 5.905 -6.843 -4.310 373 H ASN 55 H ASN 55 9.857 -0.074 -4.368 374 HA ASN 55 HA ASN 55 7.402 1.110 -3.468 375 HB2 ASN 55 1HB ASN 55 9.035 2.409 -5.594 376 HB3 ASN 55 2HB ASN 55 8.280 3.114 -4.167 377 HD21 ASN 55 1HD2 ASN 55 9.457 3.392 -2.371 378 HD22 ASN 55 2HD2 ASN 55 11.102 2.897 -2.188 379 H ILE 56 H ILE 56 5.582 1.577 -4.624 380 HA ILE 56 HA ILE 56 5.496 0.867 -7.462 381 HB ILE 56 HB ILE 56 3.495 -0.174 -5.453 382 HG12 ILE 56 1HG1 ILE 56 5.425 -1.755 -7.156 383 HG13 ILE 56 2HG1 ILE 56 5.762 -1.302 -5.488 384 HG21 ILE 56 1HG2 ILE 56 3.499 -1.241 -8.180 385 HG22 ILE 56 2HG2 ILE 56 2.151 -0.764 -7.148 386 HG23 ILE 56 3HG2 ILE 56 3.038 0.457 -8.062 387 HD11 ILE 56 3HD1 ILE 56 4.934 -3.402 -5.195 388 HD12 ILE 56 1HD1 ILE 56 3.449 -2.462 -5.052 389 HD13 ILE 56 2HD1 ILE 56 3.832 -3.282 -6.566 390 H GLU 57 H GLU 57 4.196 2.154 -8.662 391 HA GLU 57 HA GLU 57 2.624 4.178 -7.209 392 HB2 GLU 57 1HB GLU 57 4.394 4.332 -9.588 393 HB3 GLU 57 2HB GLU 57 2.948 5.332 -9.607 394 HG2 GLU 57 1HG GLU 57 3.765 6.037 -7.228 395 HG3 GLU 57 2HG GLU 57 5.325 5.469 -7.821 396 H VAL 58 H VAL 58 0.570 3.485 -7.228 397 HA VAL 58 HA VAL 58 -0.539 2.448 -9.748 398 HB VAL 58 HB VAL 58 -2.330 1.471 -8.446 399 HG11 VAL 58 1HG1 VAL 58 0.367 0.894 -7.223 400 HG12 VAL 58 2HG1 VAL 58 -1.050 -0.154 -7.130 401 HG13 VAL 58 3HG1 VAL 58 -0.289 0.166 -8.689 402 HG21 VAL 58 3HG2 VAL 58 -1.699 3.440 -6.577 403 HG22 VAL 58 1HG2 VAL 58 -2.918 2.175 -6.419 404 HG23 VAL 58 2HG2 VAL 58 -1.291 1.915 -5.790 405 H ASP 59 H ASP 59 -2.911 2.989 -10.067 406 HA ASP 59 HA ASP 59 -3.576 5.688 -9.135 407 HB2 ASP 59 1HB ASP 59 -4.427 6.037 -11.592 408 HB3 ASP 59 2HB ASP 59 -2.733 6.314 -11.198 409 H GLY 60 H GLY 60 -5.589 5.772 -8.388 410 HA2 GLY 60 1HA GLY 60 -7.969 5.288 -9.237 411 HA3 GLY 60 2HA GLY 60 -7.439 3.614 -9.156 412 H LEU 61 H LEU 61 -8.826 2.912 -7.588 413 HA LEU 61 HA LEU 61 -8.463 4.116 -4.924 414 HB2 LEU 61 1HB LEU 61 -10.958 3.143 -6.271 415 HB3 LEU 61 2HB LEU 61 -10.838 3.210 -4.514 416 HG LEU 61 HG LEU 61 -10.556 5.570 -6.373 417 HD11 LEU 61 1HD1 LEU 61 -12.768 5.683 -4.551 418 HD12 LEU 61 2HD1 LEU 61 -12.869 4.226 -5.540 419 HD13 LEU 61 3HD1 LEU 61 -12.759 5.809 -6.311 420 HD21 LEU 61 3HD2 LEU 61 -11.131 6.318 -3.714 421 HD22 LEU 61 1HD2 LEU 61 -9.663 6.629 -4.642 422 HD23 LEU 61 2HD2 LEU 61 -9.789 5.174 -3.652 423 H SER 62 H SER 62 -8.715 1.254 -6.868 424 HA SER 62 HA SER 62 -7.915 -0.349 -4.537 425 HB2 SER 62 1HB SER 62 -9.285 -2.227 -5.379 426 HB3 SER 62 2HB SER 62 -10.275 -0.824 -4.974 427 HG SER 62 HG SER 62 -10.232 -2.105 -7.245 428 H TYR 63 H TYR 63 -6.449 -1.995 -4.935 429 HA TYR 63 HA TYR 63 -5.561 -2.485 -7.660 430 HB2 TYR 63 1HB TYR 63 -4.225 -0.545 -6.974 431 HB3 TYR 63 2HB TYR 63 -3.691 -1.410 -5.537 432 HD1 TYR 63 2HD TYR 63 -2.327 -3.543 -5.872 433 HD2 TYR 63 1HD TYR 63 -3.053 -0.743 -8.993 434 HE1 TYR 63 2HE TYR 63 -0.421 -4.457 -7.128 435 HE2 TYR 63 1HE TYR 63 -1.149 -1.651 -10.258 436 HH TYR 63 HH TYR 63 0.687 -2.976 -10.124 437 H LYS 64 H LYS 64 -5.462 -4.614 -7.828 438 HA LYS 64 HA LYS 64 -5.123 -6.279 -5.486 439 HB2 LYS 64 1HB LYS 64 -6.779 -6.933 -7.133 440 HB3 LYS 64 2HB LYS 64 -5.558 -6.961 -8.399 441 HG2 LYS 64 1HG LYS 64 -4.518 -8.876 -7.484 442 HG3 LYS 64 2HG LYS 64 -5.441 -8.746 -5.985 443 HD2 LYS 64 1HD LYS 64 -6.949 -9.028 -8.531 444 HD3 LYS 64 2HD LYS 64 -6.113 -10.450 -7.903 445 HE2 LYS 64 1HE LYS 64 -8.104 -10.703 -6.830 446 HE3 LYS 64 2HE LYS 64 -7.286 -9.674 -5.654 447 HZ1 LYS 64 3HZ LYS 64 -9.691 -9.165 -6.821 448 HZ2 LYS 64 1HZ LYS 64 -8.629 -8.172 -7.687 449 HZ3 LYS 64 2HZ LYS 64 -8.730 -8.037 -6.004 450 H LEU 65 H LEU 65 -3.146 -6.660 -4.739 451 HA LEU 65 HA LEU 65 -0.818 -6.478 -6.415 452 HB2 LEU 65 1HB LEU 65 -1.181 -5.971 -3.838 453 HB3 LEU 65 2HB LEU 65 -0.688 -7.657 -3.691 454 HG LEU 65 HG LEU 65 1.309 -6.784 -5.230 455 HD11 LEU 65 1HD1 LEU 65 0.309 -4.484 -5.268 456 HD12 LEU 65 2HD1 LEU 65 1.979 -4.565 -4.709 457 HD13 LEU 65 3HD1 LEU 65 0.669 -4.373 -3.545 458 HD21 LEU 65 3HD2 LEU 65 2.340 -6.116 -2.844 459 HD22 LEU 65 1HD2 LEU 65 2.065 -7.783 -3.349 460 HD23 LEU 65 2HD2 LEU 65 0.892 -6.971 -2.312 461 H GLU 66 H GLU 66 0.620 -8.134 -6.948 462 HA GLU 66 HA GLU 66 -0.149 -10.883 -6.362 463 HB2 GLU 66 1HB GLU 66 0.321 -10.021 -9.214 464 HB3 GLU 66 2HB GLU 66 -0.235 -11.587 -8.640 465 HG2 GLU 66 1HG GLU 66 -2.325 -10.567 -7.886 466 HG3 GLU 66 2HG GLU 66 -1.768 -9.002 -8.476 467 H GLY 67 H GLY 67 1.525 -12.445 -6.981 468 HA2 GLY 67 1HA GLY 67 3.731 -13.056 -7.483 469 HA3 GLY 67 2HA GLY 67 4.148 -11.354 -7.619 470 H LEU 68 H LEU 68 2.471 -12.772 -4.878 471 HA LEU 68 HA LEU 68 4.777 -12.058 -3.201 472 HB2 LEU 68 1HB LEU 68 1.885 -12.462 -2.451 473 HB3 LEU 68 2HB LEU 68 3.177 -12.020 -1.337 474 HG LEU 68 HG LEU 68 2.706 -10.235 -3.662 475 HD11 LEU 68 1HD1 LEU 68 0.972 -9.044 -2.210 476 HD12 LEU 68 2HD1 LEU 68 0.801 -10.586 -1.371 477 HD13 LEU 68 3HD1 LEU 68 0.451 -10.478 -3.096 478 HD21 LEU 68 3HD2 LEU 68 4.478 -9.658 -2.187 479 HD22 LEU 68 1HD2 LEU 68 3.459 -9.892 -0.767 480 HD23 LEU 68 2HD2 LEU 68 3.151 -8.542 -1.859 481 H LYS 69 H LYS 69 4.548 -13.450 -1.001 482 HA LYS 69 HA LYS 69 5.004 -16.191 -1.867 483 HB2 LYS 69 1HB LYS 69 5.555 -14.708 0.698 484 HB3 LYS 69 2HB LYS 69 5.760 -16.449 0.563 485 HG2 LYS 69 1HG LYS 69 7.381 -16.104 -1.247 486 HG3 LYS 69 2HG LYS 69 7.195 -14.358 -1.063 487 HD2 LYS 69 1HD LYS 69 9.033 -14.674 0.251 488 HD3 LYS 69 2HD LYS 69 7.774 -14.938 1.459 489 HE2 LYS 69 1HE LYS 69 9.215 -16.739 1.772 490 HE3 LYS 69 2HE LYS 69 7.929 -17.412 0.771 491 HZ1 LYS 69 3HZ LYS 69 10.332 -17.906 0.125 492 HZ2 LYS 69 1HZ LYS 69 10.387 -16.313 -0.441 493 HZ3 LYS 69 2HZ LYS 69 9.280 -17.407 -1.102 494 H LYS 70 H LYS 70 3.844 -17.950 -1.213 495 HA LYS 70 HA LYS 70 1.209 -17.997 -0.896 496 HB2 LYS 70 1HB LYS 70 3.031 -19.919 -0.742 497 HB3 LYS 70 2HB LYS 70 2.677 -19.799 0.976 498 HG2 LYS 70 1HG LYS 70 0.572 -20.632 0.745 499 HG3 LYS 70 2HG LYS 70 0.385 -20.010 -0.896 500 HD2 LYS 70 1HD LYS 70 2.421 -22.125 -0.426 501 HD3 LYS 70 2HD LYS 70 0.719 -22.594 -0.406 502 HE2 LYS 70 1HE LYS 70 1.145 -22.853 -2.629 503 HE3 LYS 70 2HE LYS 70 0.682 -21.152 -2.628 504 HZ1 LYS 70 3HZ LYS 70 2.992 -20.529 -2.592 505 HZ2 LYS 70 1HZ LYS 70 2.722 -21.579 -3.891 506 HZ3 LYS 70 2HZ LYS 70 3.476 -22.146 -2.488 507 H PHE 71 H PHE 71 3.146 -18.353 2.072 508 HA PHE 71 HA PHE 71 1.230 -16.585 3.438 509 HB2 PHE 71 1HB PHE 71 0.803 -18.987 3.967 510 HB3 PHE 71 2HB PHE 71 2.434 -19.095 4.619 511 HD1 PHE 71 1HD PHE 71 3.019 -17.405 6.503 512 HD2 PHE 71 2HD PHE 71 -0.949 -18.438 5.361 513 HE1 PHE 71 1HE PHE 71 2.194 -16.645 8.693 514 HE2 PHE 71 2HE PHE 71 -1.780 -17.678 7.548 515 HZ PHE 71 HZ PHE 71 -0.208 -16.780 9.218 516 H THR 72 H THR 72 2.473 -14.802 3.656 517 HA THR 72 HA THR 72 4.757 -14.992 5.446 518 HB THR 72 HB THR 72 4.999 -13.756 2.696 519 HG1 THR 72 1HG THR 72 5.499 -16.207 3.582 520 HG21 THR 72 3HG2 THR 72 6.885 -12.681 3.330 521 HG22 THR 72 1HG2 THR 72 7.355 -13.951 4.460 522 HG23 THR 72 2HG2 THR 72 6.146 -12.755 4.930 523 H GLU 73 H GLU 73 4.599 -13.434 6.915 524 HA GLU 73 HA GLU 73 2.610 -11.456 6.853 525 HB2 GLU 73 1HB GLU 73 3.484 -12.232 8.958 526 HB3 GLU 73 2HB GLU 73 5.105 -11.697 8.538 527 HG2 GLU 73 1HG GLU 73 4.493 -9.415 8.714 528 HG3 GLU 73 2HG GLU 73 2.780 -9.816 8.822 529 H TYR 74 H TYR 74 2.598 -9.960 5.282 530 HA TYR 74 HA TYR 74 5.097 -8.584 4.606 531 HB2 TYR 74 1HB TYR 74 2.473 -8.937 3.198 532 HB3 TYR 74 2HB TYR 74 3.533 -7.603 2.758 533 HD1 TYR 74 2HD TYR 74 5.902 -8.152 2.012 534 HD2 TYR 74 1HD TYR 74 2.855 -11.101 2.368 535 HE1 TYR 74 2HE TYR 74 7.193 -9.653 0.554 536 HE2 TYR 74 1HE TYR 74 4.139 -12.611 0.912 537 HH TYR 74 HH TYR 74 6.132 -12.962 -0.078 538 H SER 75 H SER 75 5.213 -6.305 4.546 539 HA SER 75 HA SER 75 3.152 -4.931 6.143 540 HB2 SER 75 1HB SER 75 5.041 -3.478 6.995 541 HB3 SER 75 2HB SER 75 5.069 -5.148 7.560 542 HG SER 75 HG SER 75 7.029 -5.132 6.806 543 H LEU 76 H LEU 76 2.074 -3.670 4.769 544 HA LEU 76 HA LEU 76 3.544 -2.284 2.643 545 HB2 LEU 76 1HB LEU 76 0.563 -2.510 3.002 546 HB3 LEU 76 2HB LEU 76 1.424 -1.938 1.575 547 HG LEU 76 HG LEU 76 1.479 -4.770 2.616 548 HD11 LEU 76 1HD1 LEU 76 0.253 -5.031 0.305 549 HD12 LEU 76 2HD1 LEU 76 -0.234 -3.368 0.629 550 HD13 LEU 76 3HD1 LEU 76 -0.642 -4.646 1.775 551 HD21 LEU 76 3HD2 LEU 76 3.002 -3.317 0.582 552 HD22 LEU 76 1HD2 LEU 76 2.269 -4.815 0.006 553 HD23 LEU 76 2HD2 LEU 76 3.356 -4.843 1.395 554 H ARG 77 H ARG 77 2.945 -0.033 2.174 555 HA ARG 77 HA ARG 77 1.876 1.469 4.440 556 HB2 ARG 77 1HB ARG 77 4.360 1.319 4.717 557 HB3 ARG 77 2HB ARG 77 4.535 2.154 3.179 558 HG2 ARG 77 1HG ARG 77 3.715 4.155 4.027 559 HG3 ARG 77 2HG ARG 77 2.945 3.365 5.405 560 HD2 ARG 77 1HD ARG 77 4.795 4.333 6.386 561 HD3 ARG 77 2HD ARG 77 5.378 2.705 6.043 562 HE ARG 77 HE ARG 77 5.908 4.671 3.987 563 HH11 ARG 77 1HH1 ARG 77 7.070 3.040 6.835 564 HH12 ARG 77 2HH1 ARG 77 8.738 3.365 6.499 565 HH21 ARG 77 1HH2 ARG 77 8.101 5.105 3.534 566 HH22 ARG 77 2HH2 ARG 77 9.323 4.540 4.621 567 H PHE 78 H PHE 78 0.327 2.703 3.628 568 HA PHE 78 HA PHE 78 0.640 3.757 0.898 569 HB2 PHE 78 1HB PHE 78 -1.380 2.236 1.725 570 HB3 PHE 78 2HB PHE 78 -2.003 3.788 2.278 571 HD1 PHE 78 1HD PHE 78 -0.890 1.896 -0.687 572 HD2 PHE 78 2HD PHE 78 -2.893 5.361 0.761 573 HE1 PHE 78 1HE PHE 78 -1.704 2.372 -2.960 574 HE2 PHE 78 2HE PHE 78 -3.711 5.842 -1.509 575 HZ PHE 78 HZ PHE 78 -3.118 4.346 -3.373 576 H LEU 79 H LEU 79 0.211 5.923 0.467 577 HA LEU 79 HA LEU 79 -0.581 7.732 2.558 578 HB2 LEU 79 1HB LEU 79 1.438 9.038 2.622 579 HB3 LEU 79 2HB LEU 79 1.793 7.373 3.078 580 HG LEU 79 HG LEU 79 2.478 7.154 0.554 581 HD11 LEU 79 1HD1 LEU 79 1.760 9.319 -0.188 582 HD12 LEU 79 2HD1 LEU 79 3.521 9.257 -0.250 583 HD13 LEU 79 3HD1 LEU 79 2.716 10.115 1.064 584 HD21 LEU 79 3HD2 LEU 79 4.522 8.709 1.956 585 HD22 LEU 79 1HD2 LEU 79 4.568 7.052 1.352 586 HD23 LEU 79 2HD2 LEU 79 3.827 7.401 2.914 587 H ALA 80 H ALA 80 -0.592 10.019 1.770 588 HA ALA 80 HA ALA 80 -1.272 10.048 -1.087 589 HB1 ALA 80 3HB ALA 80 -2.350 11.389 1.292 590 HB2 ALA 80 1HB ALA 80 -2.218 12.406 -0.143 591 HB3 ALA 80 2HB ALA 80 -3.150 10.909 -0.204 592 H TYR 81 H TYR 81 -0.248 11.348 -2.508 593 HA TYR 81 HA TYR 81 1.680 13.307 -1.466 594 HB2 TYR 81 1HB TYR 81 3.399 12.576 -2.926 595 HB3 TYR 81 2HB TYR 81 2.767 11.117 -2.170 596 HD1 TYR 81 1HD TYR 81 2.525 13.170 -5.263 597 HD2 TYR 81 2HD TYR 81 2.014 9.338 -3.487 598 HE1 TYR 81 1HE TYR 81 2.128 12.199 -7.488 599 HE2 TYR 81 2HE TYR 81 1.617 8.356 -5.707 600 HH TYR 81 HH TYR 81 0.972 10.197 -8.442 601 H ASN 82 H ASN 82 1.473 15.247 -2.365 602 HA ASN 82 HA ASN 82 0.210 15.444 -5.018 603 HB2 ASN 82 1HB ASN 82 -1.260 17.081 -4.343 604 HB3 ASN 82 2HB ASN 82 -1.163 16.132 -2.863 605 HD21 ASN 82 1HD2 ASN 82 0.952 16.854 -1.572 606 HD22 ASN 82 2HD2 ASN 82 1.011 18.554 -1.267 607 H ARG 83 H ARG 83 0.433 18.017 -5.607 608 HA ARG 83 HA ARG 83 2.797 18.518 -6.670 609 HB2 ARG 83 1HB ARG 83 1.406 20.276 -7.080 610 HB3 ARG 83 2HB ARG 83 0.805 20.322 -5.428 611 HG2 ARG 83 1HG ARG 83 2.016 22.338 -5.879 612 HG3 ARG 83 2HG ARG 83 2.934 21.367 -4.727 613 HD2 ARG 83 1HD ARG 83 4.511 22.165 -6.285 614 HD3 ARG 83 2HD ARG 83 4.225 20.480 -6.717 615 HE ARG 83 HE ARG 83 2.612 22.420 -8.137 616 HH11 ARG 83 1HH1 ARG 83 5.518 20.503 -8.101 617 HH12 ARG 83 2HH1 ARG 83 5.739 20.570 -9.818 618 HH21 ARG 83 1HH2 ARG 83 2.893 22.516 -10.398 619 HH22 ARG 83 2HH2 ARG 83 4.246 21.716 -11.124 620 H TYR 84 H TYR 84 2.090 19.269 -3.268 621 HA TYR 84 HA TYR 84 4.661 20.240 -2.636 622 HB2 TYR 84 1HB TYR 84 2.778 18.908 -0.692 623 HB3 TYR 84 2HB TYR 84 3.979 20.149 -0.354 624 HD1 TYR 84 1HD TYR 84 3.350 21.986 -2.671 625 HD2 TYR 84 2HD TYR 84 0.829 19.975 0.104 626 HE1 TYR 84 1HE TYR 84 1.638 23.727 -2.973 627 HE2 TYR 84 2HE TYR 84 -0.890 21.710 -0.191 628 HH TYR 84 HH TYR 84 -1.465 23.412 -2.181 629 H GLY 85 H GLY 85 3.170 17.071 -1.941 630 HA2 GLY 85 1HA GLY 85 5.017 15.318 -2.695 631 HA3 GLY 85 2HA GLY 85 5.790 15.984 -1.264 632 HA PRO 86 HA PRO 86 3.090 12.368 -0.063 633 HB2 PRO 86 1HB PRO 86 5.039 11.011 1.251 634 HB3 PRO 86 2HB PRO 86 4.742 10.826 -0.481 635 HG2 PRO 86 1HG PRO 86 6.813 12.471 0.921 636 HG3 PRO 86 2HG PRO 86 6.982 11.449 -0.518 637 HD2 PRO 86 1HD PRO 86 6.736 14.141 -0.665 638 HD3 PRO 86 2HD PRO 86 6.101 13.055 -1.917 639 H GLY 87 H GLY 87 1.857 12.970 1.605 640 HA2 GLY 87 1HA GLY 87 2.933 14.488 3.810 641 HA3 GLY 87 2HA GLY 87 1.260 13.994 3.598 642 H VAL 88 H VAL 88 0.871 13.170 5.600 643 HA VAL 88 HA VAL 88 2.681 11.497 7.009 644 HB VAL 88 HB VAL 88 -0.299 11.823 7.391 645 HG11 VAL 88 1HG1 VAL 88 0.225 11.050 9.718 646 HG12 VAL 88 2HG1 VAL 88 0.396 9.814 8.470 647 HG13 VAL 88 3HG1 VAL 88 1.828 10.598 9.138 648 HG21 VAL 88 3HG2 VAL 88 0.145 13.826 8.243 649 HG22 VAL 88 1HG2 VAL 88 1.243 13.090 9.411 650 HG23 VAL 88 2HG2 VAL 88 1.851 13.623 7.843 651 H SER 89 H SER 89 2.986 9.358 6.942 652 HA SER 89 HA SER 89 1.458 7.814 4.997 653 HB2 SER 89 1HB SER 89 3.225 6.238 5.040 654 HB3 SER 89 2HB SER 89 4.017 7.811 5.145 655 HG SER 89 HG SER 89 3.704 7.299 7.578 656 H THR 90 H THR 90 0.350 5.925 5.473 657 HA THR 90 HA THR 90 -0.898 5.829 8.030 658 HB THR 90 HB THR 90 -2.059 3.834 7.193 659 HG1 THR 90 1HG THR 90 -0.237 3.005 5.975 660 HG21 THR 90 3HG2 THR 90 -3.367 4.933 5.629 661 HG22 THR 90 1HG2 THR 90 -1.984 5.722 4.873 662 HG23 THR 90 2HG2 THR 90 -2.568 6.280 6.441 663 H ASP 91 H ASP 91 -1.014 3.842 9.363 664 HA ASP 91 HA ASP 91 1.542 3.066 10.248 665 HB2 ASP 91 1HB ASP 91 0.454 1.875 11.915 666 HB3 ASP 91 2HB ASP 91 -0.767 3.067 11.478 667 H ASP 92 H ASP 92 2.751 1.244 9.947 668 HA ASP 92 HA ASP 92 2.835 -0.036 7.546 669 HB2 ASP 92 1HB ASP 92 3.620 -1.190 10.231 670 HB3 ASP 92 2HB ASP 92 4.133 -1.826 8.670 671 H ILE 93 H ILE 93 1.074 -0.895 6.604 672 HA ILE 93 HA ILE 93 -0.914 -2.371 8.011 673 HB ILE 93 HB ILE 93 -0.389 -2.215 5.041 674 HG12 ILE 93 1HG1 ILE 93 -2.492 -0.746 6.627 675 HG13 ILE 93 2HG1 ILE 93 -0.902 -0.060 6.312 676 HG21 ILE 93 1HG2 ILE 93 -3.070 -2.699 5.409 677 HG22 ILE 93 2HG2 ILE 93 -1.862 -3.888 4.929 678 HG23 ILE 93 3HG2 ILE 93 -2.308 -3.722 6.627 679 HD11 ILE 93 3HD1 ILE 93 -1.697 -0.822 3.818 680 HD12 ILE 93 1HD1 ILE 93 -3.216 -0.322 4.561 681 HD13 ILE 93 2HD1 ILE 93 -1.857 0.800 4.493 682 H THR 94 H THR 94 -0.449 -4.278 8.902 683 HA THR 94 HA THR 94 1.353 -6.126 7.528 684 HB THR 94 HB THR 94 0.110 -6.539 10.244 685 HG1 THR 94 1HG THR 94 2.173 -5.649 10.994 686 HG21 THR 94 3HG2 THR 94 2.419 -7.721 8.736 687 HG22 THR 94 1HG2 THR 94 1.085 -8.542 9.545 688 HG23 THR 94 2HG2 THR 94 2.362 -7.783 10.497 689 H VAL 95 H VAL 95 0.388 -7.378 6.061 690 HA VAL 95 HA VAL 95 -2.109 -8.736 6.834 691 HB VAL 95 HB VAL 95 -1.413 -7.679 4.090 692 HG11 VAL 95 1HG1 VAL 95 -3.021 -8.948 3.178 693 HG12 VAL 95 2HG1 VAL 95 -2.823 -9.955 4.614 694 HG13 VAL 95 3HG1 VAL 95 -4.102 -8.740 4.556 695 HG21 VAL 95 3HG2 VAL 95 -2.218 -6.009 5.762 696 HG22 VAL 95 1HG2 VAL 95 -3.272 -6.193 4.360 697 HG23 VAL 95 2HG2 VAL 95 -3.710 -6.939 5.898 698 H VAL 96 H VAL 96 -1.520 -10.778 7.210 699 HA VAL 96 HA VAL 96 0.653 -12.041 5.817 700 HB VAL 96 HB VAL 96 -1.381 -13.311 7.654 701 HG11 VAL 96 1HG1 VAL 96 -0.324 -15.078 6.604 702 HG12 VAL 96 2HG1 VAL 96 1.208 -14.214 6.462 703 HG13 VAL 96 3HG1 VAL 96 0.689 -14.839 8.028 704 HG21 VAL 96 3HG2 VAL 96 -0.345 -11.553 8.877 705 HG22 VAL 96 1HG2 VAL 96 0.435 -13.055 9.373 706 HG23 VAL 96 2HG2 VAL 96 1.249 -11.967 8.247 707 H THR 97 H THR 97 0.473 -12.829 3.835 708 HA THR 97 HA THR 97 -1.846 -13.140 2.367 709 HB THR 97 HB THR 97 -0.460 -14.786 0.961 710 HG1 THR 97 1HG THR 97 1.523 -15.240 1.623 711 HG21 THR 97 3HG2 THR 97 0.401 -11.963 1.550 712 HG22 THR 97 1HG2 THR 97 -0.603 -12.546 0.223 713 HG23 THR 97 2HG2 THR 97 1.121 -12.918 0.254 714 H LEU 98 H LEU 98 -3.006 -15.003 1.656 715 HA LEU 98 HA LEU 98 -3.818 -16.723 3.707 716 HB2 LEU 98 1HB LEU 98 -4.117 -17.293 0.770 717 HB3 LEU 98 2HB LEU 98 -5.163 -17.819 2.088 718 HG LEU 98 HG LEU 98 -4.910 -15.045 0.938 719 HD11 LEU 98 1HD1 LEU 98 -7.302 -16.858 1.178 720 HD12 LEU 98 2HD1 LEU 98 -6.305 -16.722 -0.269 721 HD13 LEU 98 3HD1 LEU 98 -7.199 -15.321 0.319 722 HD21 LEU 98 3HD2 LEU 98 -5.598 -15.839 3.606 723 HD22 LEU 98 1HD2 LEU 98 -7.009 -15.155 2.798 724 HD23 LEU 98 2HD2 LEU 98 -5.517 -14.221 2.907 725 H SER 99 H SER 99 -3.950 -19.256 2.938 726 HA SER 99 HA SER 99 -1.218 -20.137 2.327 727 HB2 SER 99 1HB SER 99 -1.175 -20.298 4.672 728 HB3 SER 99 2HB SER 99 -2.851 -20.841 4.756 729 HG SER 99 HG SER 99 -2.245 -22.833 4.319 730 H ASP 100 H ASP 100 -1.538 -21.156 0.446 731 HA ASP 100 HA ASP 100 -3.860 -22.402 -0.429 732 HB2 ASP 100 1HB ASP 100 -1.913 -21.783 -1.864 733 HB3 ASP 100 2HB ASP 100 -1.037 -23.161 -1.203 734 H SER 101 H SER 101 -0.911 -24.073 0.690 735 HA SER 101 HA SER 101 -2.294 -26.560 0.996 736 HB2 SER 101 1HB SER 101 -0.200 -27.460 1.699 737 HB3 SER 101 2HB SER 101 0.171 -26.281 0.440 738 HG SER 101 HG SER 101 1.180 -26.349 2.827 739 H GLY 102 H GLY 102 -2.302 -27.780 3.063 740 HA2 GLY 102 1HA GLY 102 -2.083 -27.514 5.538 741 HA3 GLY 102 2HA GLY 102 -2.880 -25.962 5.322 742 HA PRO 103 HA PRO 103 -5.888 -29.776 5.453 743 HB2 PRO 103 1HB PRO 103 -5.818 -30.619 8.033 744 HB3 PRO 103 2HB PRO 103 -4.810 -31.325 6.763 745 HG2 PRO 103 1HG PRO 103 -4.098 -29.277 8.827 746 HG3 PRO 103 2HG PRO 103 -3.165 -30.681 8.275 747 HD2 PRO 103 1HD PRO 103 -2.665 -28.166 7.405 748 HD3 PRO 103 2HD PRO 103 -2.414 -29.596 6.384 749 H SER 104 H SER 104 -7.646 -28.490 5.329 750 HA SER 104 HA SER 104 -9.263 -26.973 5.900 751 HB2 SER 104 1HB SER 104 -9.960 -28.983 7.156 752 HB3 SER 104 2HB SER 104 -9.019 -28.434 8.542 753 HG SER 104 HG SER 104 -11.451 -27.522 7.566 754 H SER 105 H SER 105 -6.767 -25.809 6.051 755 HA SER 105 HA SER 105 -6.596 -24.374 8.574 756 HB2 SER 105 1HB SER 105 -4.887 -24.366 6.083 757 HB3 SER 105 2HB SER 105 -4.604 -23.278 7.442 758 HG SER 105 HG SER 105 -3.721 -25.715 7.186 759 H GLY 106 H GLY 106 -6.843 -23.489 5.123 760 HA2 GLY 106 1HA GLY 106 -7.773 -20.829 5.874 761 HA3 GLY 106 2HA GLY 106 -7.376 -21.374 4.251 Start of MODEL 15 1 H1 GLY 1 H GLY 1 13.611 22.337 3.556 2 HA2 GLY 1 1HA GLY 1 11.279 22.694 4.143 3 HA3 GLY 1 2HA GLY 1 11.814 23.927 5.275 4 H SER 2 H SER 2 9.832 24.527 3.516 5 HA SER 2 HA SER 2 10.942 26.763 2.130 6 HB2 SER 2 1HB SER 2 11.394 24.879 0.525 7 HB3 SER 2 2HB SER 2 9.651 24.642 0.402 8 HG SER 2 HG SER 2 10.670 27.210 -0.015 9 H SER 3 H SER 3 9.512 28.317 2.463 10 HA SER 3 HA SER 3 6.906 27.879 3.412 11 HB2 SER 3 1HB SER 3 6.589 30.317 3.052 12 HB3 SER 3 2HB SER 3 8.097 29.949 3.888 13 HG SER 3 HG SER 3 8.396 31.472 2.206 14 H GLY 4 H GLY 4 5.663 26.610 2.087 15 HA2 GLY 4 1HA GLY 4 3.952 27.592 0.277 16 HA3 GLY 4 2HA GLY 4 5.366 27.290 -0.723 17 H SER 5 H SER 5 6.263 25.047 -0.611 18 HA SER 5 HA SER 5 4.304 23.179 -1.305 19 HB2 SER 5 1HB SER 5 6.577 22.941 -2.104 20 HB3 SER 5 2HB SER 5 7.178 22.754 -0.457 21 HG SER 5 HG SER 5 6.406 20.752 -0.379 22 H SER 6 H SER 6 3.316 21.515 -0.239 23 HA SER 6 HA SER 6 3.969 21.009 2.556 24 HB2 SER 6 1HB SER 6 2.142 22.871 2.256 25 HB3 SER 6 2HB SER 6 1.085 21.505 1.902 26 HG SER 6 HG SER 6 1.458 20.695 3.922 27 H GLY 7 H GLY 7 2.732 19.130 3.423 28 HA2 GLY 7 1HA GLY 7 2.365 17.154 1.273 29 HA3 GLY 7 2HA GLY 7 2.790 16.780 2.937 30 HA PRO 8 HA PRO 8 -1.965 16.934 2.053 31 HB2 PRO 8 1HB PRO 8 -2.441 14.513 0.922 32 HB3 PRO 8 2HB PRO 8 -2.132 15.972 -0.027 33 HG2 PRO 8 1HG PRO 8 -0.258 13.756 0.705 34 HG3 PRO 8 2HG PRO 8 -0.450 14.591 -0.847 35 HD2 PRO 8 1HD PRO 8 1.548 15.176 0.884 36 HD3 PRO 8 2HD PRO 8 0.813 16.398 -0.175 37 H GLY 9 H GLY 9 -3.518 15.750 3.284 38 HA2 GLY 9 1HA GLY 9 -2.402 14.503 5.611 39 HA3 GLY 9 2HA GLY 9 -4.110 14.745 5.276 40 HA PRO 10 HA PRO 10 -2.826 10.213 4.831 41 HB2 PRO 10 1HB PRO 10 -4.207 9.256 6.963 42 HB3 PRO 10 2HB PRO 10 -2.534 9.815 7.075 43 HG2 PRO 10 1HG PRO 10 -5.062 11.249 7.792 44 HG3 PRO 10 2HG PRO 10 -3.525 11.182 8.674 45 HD2 PRO 10 1HD PRO 10 -4.230 13.296 7.137 46 HD3 PRO 10 2HD PRO 10 -2.543 12.783 7.338 47 H VAL 11 H VAL 11 -4.077 8.862 3.662 48 HA VAL 11 HA VAL 11 -6.604 9.684 2.731 49 HB VAL 11 HB VAL 11 -6.741 7.518 1.620 50 HG11 VAL 11 1HG1 VAL 11 -3.890 7.968 1.212 51 HG12 VAL 11 2HG1 VAL 11 -5.238 8.140 0.086 52 HG13 VAL 11 3HG1 VAL 11 -4.840 9.453 1.194 53 HG21 VAL 11 3HG2 VAL 11 -4.589 6.043 2.013 54 HG22 VAL 11 1HG2 VAL 11 -4.640 6.806 3.603 55 HG23 VAL 11 2HG2 VAL 11 -6.018 5.866 3.031 56 H GLU 12 H GLU 12 -8.562 8.194 2.798 57 HA GLU 12 HA GLU 12 -8.968 7.244 5.558 58 HB2 GLU 12 1HB GLU 12 -11.111 8.358 3.749 59 HB3 GLU 12 2HB GLU 12 -11.241 7.991 5.463 60 HG2 GLU 12 1HG GLU 12 -9.259 9.763 5.579 61 HG3 GLU 12 2HG GLU 12 -10.043 10.326 4.104 62 H ASN 13 H ASN 13 -11.077 5.800 5.585 63 HA ASN 13 HA ASN 13 -11.649 3.599 5.214 64 HB2 ASN 13 1HB ASN 13 -12.067 4.816 2.474 65 HB3 ASN 13 2HB ASN 13 -12.801 3.320 3.046 66 HD21 ASN 13 1HD2 ASN 13 -14.046 5.796 2.141 67 HD22 ASN 13 2HD2 ASN 13 -15.044 6.333 3.444 68 H LEU 14 H LEU 14 -8.950 3.655 5.224 69 HA LEU 14 HA LEU 14 -8.010 2.311 2.807 70 HB2 LEU 14 1HB LEU 14 -6.490 3.933 3.536 71 HB3 LEU 14 2HB LEU 14 -6.657 3.456 5.225 72 HG LEU 14 HG LEU 14 -5.586 1.206 4.264 73 HD11 LEU 14 1HD1 LEU 14 -4.069 3.196 2.652 74 HD12 LEU 14 2HD1 LEU 14 -5.536 2.488 1.976 75 HD13 LEU 14 3HD1 LEU 14 -4.197 1.447 2.460 76 HD21 LEU 14 3HD2 LEU 14 -3.528 3.240 4.669 77 HD22 LEU 14 1HD2 LEU 14 -3.876 1.775 5.589 78 HD23 LEU 14 2HD2 LEU 14 -4.792 3.250 5.900 79 H GLN 15 H GLN 15 -8.037 0.176 2.659 80 HA GLN 15 HA GLN 15 -7.454 -1.460 4.993 81 HB2 GLN 15 1HB GLN 15 -10.074 -1.447 3.545 82 HB3 GLN 15 2HB GLN 15 -9.469 -2.952 4.226 83 HG2 GLN 15 1HG GLN 15 -9.550 -0.536 5.956 84 HG3 GLN 15 2HG GLN 15 -11.057 -1.373 5.590 85 HE21 GLN 15 1HE2 GLN 15 -9.510 -1.065 8.100 86 HE22 GLN 15 2HE2 GLN 15 -9.255 -2.675 8.675 87 H ALA 16 H ALA 16 -6.618 -3.483 4.502 88 HA ALA 16 HA ALA 16 -6.333 -4.155 1.657 89 HB1 ALA 16 3HB ALA 16 -3.927 -4.855 3.031 90 HB2 ALA 16 1HB ALA 16 -4.145 -3.797 1.636 91 HB3 ALA 16 2HB ALA 16 -4.260 -3.139 3.269 92 H VAL 17 H VAL 17 -6.521 -6.280 1.197 93 HA VAL 17 HA VAL 17 -6.135 -8.297 3.238 94 HB VAL 17 HB VAL 17 -8.430 -7.664 3.702 95 HG11 VAL 17 1HG1 VAL 17 -10.000 -8.392 1.614 96 HG12 VAL 17 2HG1 VAL 17 -9.512 -6.732 1.964 97 HG13 VAL 17 3HG1 VAL 17 -8.624 -7.681 0.771 98 HG21 VAL 17 3HG2 VAL 17 -9.444 -9.810 3.572 99 HG22 VAL 17 1HG2 VAL 17 -8.477 -10.252 2.164 100 HG23 VAL 17 2HG2 VAL 17 -7.709 -10.076 3.742 101 H SER 18 H SER 18 -5.635 -10.269 2.397 102 HA SER 18 HA SER 18 -5.271 -10.382 -0.489 103 HB2 SER 18 1HB SER 18 -3.386 -11.010 0.955 104 HB3 SER 18 2HB SER 18 -4.361 -12.287 1.682 105 HG SER 18 HG SER 18 -3.225 -12.141 -0.873 106 H THR 19 H THR 19 -6.503 -11.531 -1.830 107 HA THR 19 HA THR 19 -8.514 -13.332 -0.655 108 HB THR 19 HB THR 19 -9.940 -12.897 -2.510 109 HG1 THR 19 1HG THR 19 -9.206 -11.601 -4.278 110 HG21 THR 19 3HG2 THR 19 -8.617 -10.358 -1.560 111 HG22 THR 19 1HG2 THR 19 -10.046 -11.139 -0.885 112 HG23 THR 19 2HG2 THR 19 -10.119 -10.397 -2.483 113 H SER 20 H SER 20 -5.722 -14.016 -1.355 114 HA SER 20 HA SER 20 -6.219 -16.506 -2.606 115 HB2 SER 20 1HB SER 20 -5.492 -14.277 -4.344 116 HB3 SER 20 2HB SER 20 -4.358 -15.622 -4.465 117 HG SER 20 HG SER 20 -5.810 -16.607 -5.599 118 HA PRO 21 HA PRO 21 -2.436 -17.962 -0.941 119 HB2 PRO 21 1HB PRO 21 -1.257 -18.178 -3.673 120 HB3 PRO 21 2HB PRO 21 -1.353 -19.389 -2.390 121 HG2 PRO 21 1HG PRO 21 -2.992 -19.466 -4.509 122 HG3 PRO 21 2HG PRO 21 -3.539 -19.943 -2.891 123 HD2 PRO 21 1HD PRO 21 -4.156 -17.517 -4.459 124 HD3 PRO 21 2HD PRO 21 -5.124 -18.356 -3.230 125 H THR 22 H THR 22 -1.729 -15.897 -3.764 126 HA THR 22 HA THR 22 0.079 -14.321 -2.067 127 HB THR 22 HB THR 22 1.794 -14.228 -3.707 128 HG1 THR 22 1HG THR 22 1.289 -14.420 -5.744 129 HG21 THR 22 3HG2 THR 22 2.386 -16.621 -4.036 130 HG22 THR 22 1HG2 THR 22 0.777 -17.061 -3.467 131 HG23 THR 22 2HG2 THR 22 1.902 -16.243 -2.383 132 H SER 23 H SER 23 -1.429 -12.660 -1.937 133 HA SER 23 HA SER 23 -1.411 -10.804 -4.098 134 HB2 SER 23 1HB SER 23 -4.146 -11.867 -3.393 135 HB3 SER 23 2HB SER 23 -3.706 -10.785 -4.714 136 HG SER 23 HG SER 23 -3.223 -13.553 -4.456 137 H ILE 24 H ILE 24 -3.008 -8.924 -3.556 138 HA ILE 24 HA ILE 24 -3.681 -8.584 -0.792 139 HB ILE 24 HB ILE 24 -1.344 -7.034 -1.908 140 HG12 ILE 24 1HG1 ILE 24 -1.659 -9.016 0.343 141 HG13 ILE 24 2HG1 ILE 24 -0.584 -9.115 -1.047 142 HG21 ILE 24 1HG2 ILE 24 -2.698 -5.469 -0.743 143 HG22 ILE 24 2HG2 ILE 24 -2.977 -6.599 0.581 144 HG23 ILE 24 3HG2 ILE 24 -1.374 -5.906 0.337 145 HD11 ILE 24 3HD1 ILE 24 0.581 -7.075 -0.111 146 HD12 ILE 24 1HD1 ILE 24 -0.345 -7.350 1.364 147 HD13 ILE 24 2HD1 ILE 24 0.777 -8.582 0.785 148 H LEU 25 H LEU 25 -5.654 -7.784 -1.201 149 HA LEU 25 HA LEU 25 -6.065 -5.832 -3.307 150 HB2 LEU 25 1HB LEU 25 -7.651 -7.721 -2.787 151 HB3 LEU 25 2HB LEU 25 -8.076 -6.853 -1.313 152 HG LEU 25 HG LEU 25 -8.894 -4.975 -2.684 153 HD11 LEU 25 1HD1 LEU 25 -7.433 -6.233 -4.716 154 HD12 LEU 25 2HD1 LEU 25 -8.435 -4.788 -4.845 155 HD13 LEU 25 3HD1 LEU 25 -9.129 -6.375 -5.177 156 HD21 LEU 25 3HD2 LEU 25 -10.917 -5.915 -2.734 157 HD22 LEU 25 1HD2 LEU 25 -10.119 -7.386 -2.176 158 HD23 LEU 25 2HD2 LEU 25 -10.413 -7.142 -3.898 159 H ILE 26 H ILE 26 -5.353 -3.842 -2.816 160 HA ILE 26 HA ILE 26 -5.886 -2.752 -0.148 161 HB ILE 26 HB ILE 26 -4.251 -1.446 -2.315 162 HG12 ILE 26 1HG1 ILE 26 -2.969 -2.943 -0.073 163 HG13 ILE 26 2HG1 ILE 26 -3.570 -3.860 -1.450 164 HG21 ILE 26 1HG2 ILE 26 -4.624 -1.029 0.626 165 HG22 ILE 26 2HG2 ILE 26 -3.154 -0.489 -0.183 166 HG23 ILE 26 3HG2 ILE 26 -4.721 0.143 -0.688 167 HD11 ILE 26 3HD1 ILE 26 -1.130 -2.470 -1.191 168 HD12 ILE 26 1HD1 ILE 26 -1.739 -3.371 -2.579 169 HD13 ILE 26 2HD1 ILE 26 -2.083 -1.648 -2.427 170 H THR 27 H THR 27 -7.819 -1.815 0.012 171 HA THR 27 HA THR 27 -8.782 -0.176 -2.237 172 HB THR 27 HB THR 27 -11.036 -0.404 -1.235 173 HG1 THR 27 1HG THR 27 -9.680 -1.249 0.865 174 HG21 THR 27 3HG2 THR 27 -11.316 -2.185 -2.546 175 HG22 THR 27 1HG2 THR 27 -10.470 -3.221 -1.398 176 HG23 THR 27 2HG2 THR 27 -9.562 -2.343 -2.629 177 H TRP 28 H TRP 28 -7.886 1.796 -1.802 178 HA TRP 28 HA TRP 28 -8.397 2.966 0.847 179 HB2 TRP 28 1HB TRP 28 -6.637 4.565 0.335 180 HB3 TRP 28 2HB TRP 28 -6.039 2.926 0.093 181 HD1 TRP 28 HD TRP 28 -6.447 6.199 -1.664 182 HE1 TRP 28 1HE TRP 28 -5.663 5.987 -4.106 183 HE3 TRP 28 3HE TRP 28 -6.028 1.111 -1.943 184 HZ2 TRP 28 2HZ TRP 28 -4.960 3.935 -5.912 185 HZ3 TRP 28 3HZ TRP 28 -5.294 0.103 -4.064 186 HH2 TRP 28 HH TRP 28 -4.772 1.487 -6.007 187 H GLU 29 H GLU 29 -8.594 5.497 0.638 188 HA GLU 29 HA GLU 29 -10.294 6.232 -1.625 189 HB2 GLU 29 1HB GLU 29 -11.141 6.087 1.236 190 HB3 GLU 29 2HB GLU 29 -11.785 7.378 0.232 191 HG2 GLU 29 1HG GLU 29 -11.907 4.581 -0.772 192 HG3 GLU 29 2HG GLU 29 -13.041 5.096 0.474 193 HA PRO 30 HA PRO 30 -8.326 10.144 -1.373 194 HB2 PRO 30 1HB PRO 30 -10.330 11.850 -2.043 195 HB3 PRO 30 2HB PRO 30 -9.554 10.773 -3.210 196 HG2 PRO 30 1HG PRO 30 -12.149 10.436 -1.755 197 HG3 PRO 30 2HG PRO 30 -11.770 10.110 -3.457 198 HD2 PRO 30 1HD PRO 30 -11.901 8.151 -1.592 199 HD3 PRO 30 2HD PRO 30 -10.797 8.075 -2.981 200 HA PRO 31 HA PRO 31 -9.147 11.534 2.780 201 HB2 PRO 31 1HB PRO 31 -7.167 13.389 2.866 202 HB3 PRO 31 2HB PRO 31 -6.866 11.654 3.022 203 HG2 PRO 31 1HG PRO 31 -6.573 13.420 0.622 204 HG3 PRO 31 2HG PRO 31 -5.491 12.143 1.211 205 HD2 PRO 31 1HD PRO 31 -7.225 11.756 -0.833 206 HD3 PRO 31 2HD PRO 31 -6.772 10.461 0.294 207 H ALA 32 H ALA 32 -10.009 13.360 3.807 208 HA ALA 32 HA ALA 32 -11.201 15.304 1.981 209 HB1 ALA 32 3HB ALA 32 -11.993 15.613 4.736 210 HB2 ALA 32 1HB ALA 32 -12.972 15.230 3.320 211 HB3 ALA 32 2HB ALA 32 -12.165 13.938 4.211 212 H TYR 33 H TYR 33 -9.135 15.157 4.842 213 HA TYR 33 HA TYR 33 -8.770 18.053 4.783 214 HB2 TYR 33 1HB TYR 33 -7.200 17.316 6.811 215 HB3 TYR 33 2HB TYR 33 -8.939 17.511 6.998 216 HD1 TYR 33 2HD TYR 33 -6.461 14.878 6.045 217 HD2 TYR 33 1HD TYR 33 -10.112 15.808 8.023 218 HE1 TYR 33 2HE TYR 33 -6.635 12.546 6.808 219 HE2 TYR 33 1HE TYR 33 -10.295 13.480 8.793 220 HH TYR 33 HH TYR 33 -8.994 11.038 7.595 221 H ALA 34 H ALA 34 -7.745 17.483 2.555 222 HA ALA 34 HA ALA 34 -4.859 17.036 2.956 223 HB1 ALA 34 3HB ALA 34 -6.723 16.111 0.849 224 HB2 ALA 34 1HB ALA 34 -5.095 16.566 0.345 225 HB3 ALA 34 2HB ALA 34 -5.322 15.308 1.560 226 H ASN 35 H ASN 35 -3.409 18.276 1.636 227 HA ASN 35 HA ASN 35 -4.345 20.989 1.256 228 HB2 ASN 35 1HB ASN 35 -2.056 20.140 2.253 229 HB3 ASN 35 2HB ASN 35 -1.567 20.121 0.561 230 HD21 ASN 35 1HD2 ASN 35 -0.945 21.830 3.011 231 HD22 ASN 35 2HD2 ASN 35 -1.088 23.448 2.423 232 H GLY 36 H GLY 36 -5.538 21.202 -0.569 233 HA2 GLY 36 1HA GLY 36 -5.860 21.557 -2.825 234 HA3 GLY 36 2HA GLY 36 -4.170 21.150 -3.082 235 HA PRO 37 HA PRO 37 -6.639 17.783 -5.015 236 HB2 PRO 37 1HB PRO 37 -4.992 17.512 -7.156 237 HB3 PRO 37 2HB PRO 37 -6.299 18.701 -7.094 238 HG2 PRO 37 1HG PRO 37 -3.372 19.077 -6.593 239 HG3 PRO 37 2HG PRO 37 -4.493 20.106 -7.503 240 HD2 PRO 37 1HD PRO 37 -3.730 20.669 -4.967 241 HD3 PRO 37 2HD PRO 37 -5.336 21.089 -5.597 242 H VAL 38 H VAL 38 -5.591 15.682 -6.068 243 HA VAL 38 HA VAL 38 -3.266 14.861 -4.467 244 HB VAL 38 HB VAL 38 -5.825 13.287 -4.782 245 HG11 VAL 38 1HG1 VAL 38 -4.726 11.412 -4.309 246 HG12 VAL 38 2HG1 VAL 38 -3.227 12.300 -4.590 247 HG13 VAL 38 3HG1 VAL 38 -3.886 12.172 -2.958 248 HG21 VAL 38 3HG2 VAL 38 -6.144 14.868 -3.068 249 HG22 VAL 38 1HG2 VAL 38 -5.704 13.374 -2.240 250 HG23 VAL 38 2HG2 VAL 38 -4.507 14.652 -2.451 251 H GLN 39 H GLN 39 -1.881 14.846 -6.204 252 HA GLN 39 HA GLN 39 -2.249 14.096 -8.781 253 HB2 GLN 39 1HB GLN 39 0.099 13.696 -6.952 254 HB3 GLN 39 2HB GLN 39 0.164 13.162 -8.626 255 HG2 GLN 39 1HG GLN 39 -0.668 15.639 -9.056 256 HG3 GLN 39 2HG GLN 39 0.125 15.903 -7.504 257 HE21 GLN 39 1HE2 GLN 39 1.037 17.148 -9.752 258 HE22 GLN 39 2HE2 GLN 39 2.569 16.494 -10.207 259 H GLY 40 H GLY 40 -1.574 11.891 -6.077 260 HA2 GLY 40 1HA GLY 40 -3.162 9.807 -7.075 261 HA3 GLY 40 2HA GLY 40 -1.506 9.518 -7.590 262 H TYR 41 H TYR 41 -1.002 7.780 -6.356 263 HA TYR 41 HA TYR 41 -0.605 8.267 -3.525 264 HB2 TYR 41 1HB TYR 41 -2.129 5.798 -4.338 265 HB3 TYR 41 2HB TYR 41 -1.872 6.435 -2.718 266 HD1 TYR 41 1HD TYR 41 -3.695 6.970 -5.888 267 HD2 TYR 41 2HD TYR 41 -3.333 8.065 -1.792 268 HE1 TYR 41 1HE TYR 41 -5.842 8.162 -6.023 269 HE2 TYR 41 2HE TYR 41 -5.480 9.258 -1.915 270 HH TYR 41 HH TYR 41 -6.850 10.383 -3.873 271 H ARG 42 H ARG 42 0.990 6.985 -2.612 272 HA ARG 42 HA ARG 42 2.431 5.242 -4.501 273 HB2 ARG 42 1HB ARG 42 3.437 7.512 -3.549 274 HB3 ARG 42 2HB ARG 42 3.839 6.478 -2.184 275 HG2 ARG 42 1HG ARG 42 5.167 5.054 -3.556 276 HG3 ARG 42 2HG ARG 42 4.608 5.858 -5.024 277 HD2 ARG 42 1HD ARG 42 5.632 7.978 -4.074 278 HD3 ARG 42 2HD ARG 42 6.409 6.944 -2.875 279 HE ARG 42 HE ARG 42 6.882 6.044 -5.541 280 HH11 ARG 42 1HH1 ARG 42 7.886 8.353 -3.136 281 HH12 ARG 42 2HH1 ARG 42 9.487 8.520 -3.777 282 HH21 ARG 42 1HH2 ARG 42 8.987 6.256 -6.394 283 HH22 ARG 42 2HH2 ARG 42 10.112 7.327 -5.631 284 H LEU 43 H LEU 43 2.741 3.185 -3.926 285 HA LEU 43 HA LEU 43 2.091 2.419 -1.159 286 HB2 LEU 43 1HB LEU 43 0.540 1.383 -2.572 287 HB3 LEU 43 2HB LEU 43 1.764 1.006 -3.782 288 HG LEU 43 HG LEU 43 2.731 -0.559 -1.947 289 HD11 LEU 43 1HD1 LEU 43 1.097 -1.445 -0.408 290 HD12 LEU 43 2HD1 LEU 43 -0.131 -0.341 -1.025 291 HD13 LEU 43 3HD1 LEU 43 1.266 0.292 -0.155 292 HD21 LEU 43 3HD2 LEU 43 1.883 -2.213 -3.191 293 HD22 LEU 43 1HD2 LEU 43 1.118 -0.930 -4.129 294 HD23 LEU 43 2HD2 LEU 43 0.217 -1.742 -2.848 295 H PHE 44 H PHE 44 3.467 1.133 -0.002 296 HA PHE 44 HA PHE 44 6.024 0.438 -1.289 297 HB2 PHE 44 1HB PHE 44 5.663 1.368 1.566 298 HB3 PHE 44 2HB PHE 44 7.188 0.982 0.775 299 HD1 PHE 44 2HD PHE 44 8.176 2.498 -0.833 300 HD2 PHE 44 1HD PHE 44 4.503 3.432 1.104 301 HE1 PHE 44 2HE PHE 44 8.393 4.839 -1.557 302 HE2 PHE 44 1HE PHE 44 4.713 5.774 0.382 303 HZ PHE 44 HZ PHE 44 6.661 6.481 -0.949 304 H CYS 45 H CYS 45 6.261 -1.687 -1.376 305 HA CYS 45 HA CYS 45 4.979 -3.349 0.677 306 HB2 CYS 45 1HB CYS 45 4.264 -3.951 -1.528 307 HB3 CYS 45 2HB CYS 45 5.919 -3.975 -2.123 308 HG CYS 45 HG CYS 45 6.166 -6.119 0.130 309 H THR 46 H THR 46 6.196 -4.249 2.190 310 HA THR 46 HA THR 46 9.043 -4.742 1.607 311 HB THR 46 HB THR 46 7.971 -3.893 4.301 312 HG1 THR 46 1HG THR 46 7.820 -2.159 2.829 313 HG21 THR 46 3HG2 THR 46 10.814 -3.593 3.533 314 HG22 THR 46 1HG2 THR 46 10.240 -5.237 3.808 315 HG23 THR 46 2HG2 THR 46 10.100 -4.028 5.085 316 H GLU 47 H GLU 47 9.721 -6.757 1.973 317 HA GLU 47 HA GLU 47 7.856 -8.676 3.096 318 HB2 GLU 47 1HB GLU 47 9.147 -9.132 1.000 319 HB3 GLU 47 2HB GLU 47 10.616 -9.160 1.966 320 HG2 GLU 47 1HG GLU 47 9.524 -11.001 3.319 321 HG3 GLU 47 2HG GLU 47 8.305 -11.072 2.047 322 H VAL 48 H VAL 48 7.822 -8.334 5.290 323 HA VAL 48 HA VAL 48 9.821 -7.721 7.029 324 HB VAL 48 HB VAL 48 7.639 -9.748 7.544 325 HG11 VAL 48 1HG1 VAL 48 8.874 -8.003 9.632 326 HG12 VAL 48 2HG1 VAL 48 8.029 -9.542 9.810 327 HG13 VAL 48 3HG1 VAL 48 9.668 -9.505 9.158 328 HG21 VAL 48 3HG2 VAL 48 6.915 -7.491 6.694 329 HG22 VAL 48 1HG2 VAL 48 6.279 -7.943 8.276 330 HG23 VAL 48 2HG2 VAL 48 7.616 -6.799 8.156 331 H SER 49 H SER 49 9.165 -10.867 5.594 332 HA SER 49 HA SER 49 10.785 -12.487 7.148 333 HB2 SER 49 1HB SER 49 9.220 -13.039 5.113 334 HB3 SER 49 2HB SER 49 10.705 -12.881 4.176 335 HG SER 49 HG SER 49 10.532 -15.004 4.792 336 H THR 50 H THR 50 11.707 -10.989 4.042 337 HA THR 50 HA THR 50 14.515 -11.435 4.639 338 HB THR 50 HB THR 50 14.928 -10.502 2.387 339 HG1 THR 50 1HG THR 50 13.351 -9.586 1.259 340 HG21 THR 50 3HG2 THR 50 13.137 -12.807 2.886 341 HG22 THR 50 1HG2 THR 50 14.721 -12.750 2.115 342 HG23 THR 50 2HG2 THR 50 13.284 -12.265 1.215 343 H GLY 51 H GLY 51 12.460 -8.636 3.809 344 HA2 GLY 51 1HA GLY 51 12.625 -6.656 5.248 345 HA3 GLY 51 2HA GLY 51 14.355 -6.954 5.329 346 H LYS 52 H LYS 52 12.825 -7.441 2.290 347 HA LYS 52 HA LYS 52 14.186 -5.064 1.254 348 HB2 LYS 52 1HB LYS 52 13.083 -7.517 -0.121 349 HB3 LYS 52 2HB LYS 52 13.758 -6.139 -0.981 350 HG2 LYS 52 1HG LYS 52 15.814 -6.604 0.611 351 HG3 LYS 52 2HG LYS 52 15.118 -8.226 0.631 352 HD2 LYS 52 1HD LYS 52 15.432 -6.868 -1.996 353 HD3 LYS 52 2HD LYS 52 16.882 -7.486 -1.201 354 HE2 LYS 52 1HE LYS 52 14.409 -9.139 -1.677 355 HE3 LYS 52 2HE LYS 52 15.764 -9.073 -2.803 356 HZ1 LYS 52 3HZ LYS 52 16.173 -9.782 0.034 357 HZ2 LYS 52 1HZ LYS 52 17.169 -10.111 -1.293 358 HZ3 LYS 52 2HZ LYS 52 15.714 -10.951 -1.099 359 H GLU 53 H GLU 53 13.079 -3.304 0.722 360 HA GLU 53 HA GLU 53 10.159 -3.484 0.539 361 HB2 GLU 53 1HB GLU 53 10.916 -1.881 2.159 362 HB3 GLU 53 2HB GLU 53 12.013 -1.147 0.998 363 HG2 GLU 53 1HG GLU 53 9.076 -1.189 0.465 364 HG3 GLU 53 2HG GLU 53 9.768 0.010 1.557 365 H GLN 54 H GLN 54 9.019 -2.416 -1.146 366 HA GLN 54 HA GLN 54 10.581 -1.639 -3.495 367 HB2 GLN 54 1HB GLN 54 9.281 -3.034 -4.981 368 HB3 GLN 54 2HB GLN 54 10.019 -4.039 -3.742 369 HG2 GLN 54 1HG GLN 54 7.891 -4.073 -2.522 370 HG3 GLN 54 2HG GLN 54 7.158 -3.107 -3.802 371 HE21 GLN 54 1HE2 GLN 54 5.726 -5.089 -3.662 372 HE22 GLN 54 2HE2 GLN 54 6.120 -6.398 -4.718 373 H ASN 55 H ASN 55 9.858 0.217 -4.288 374 HA ASN 55 HA ASN 55 7.338 1.296 -3.359 375 HB2 ASN 55 1HB ASN 55 8.196 3.228 -4.970 376 HB3 ASN 55 2HB ASN 55 8.877 3.001 -3.362 377 HD21 ASN 55 1HD2 ASN 55 10.901 1.948 -3.164 378 HD22 ASN 55 2HD2 ASN 55 12.018 1.928 -4.482 379 H ILE 56 H ILE 56 5.524 1.620 -4.543 380 HA ILE 56 HA ILE 56 5.591 0.965 -7.404 381 HB ILE 56 HB ILE 56 3.567 -0.118 -5.441 382 HG12 ILE 56 1HG1 ILE 56 5.487 -1.638 -7.209 383 HG13 ILE 56 2HG1 ILE 56 5.841 -1.230 -5.534 384 HG21 ILE 56 1HG2 ILE 56 2.931 -1.403 -7.645 385 HG22 ILE 56 2HG2 ILE 56 2.272 0.196 -7.302 386 HG23 ILE 56 3HG2 ILE 56 3.631 0.023 -8.413 387 HD11 ILE 56 3HD1 ILE 56 3.847 -3.149 -6.636 388 HD12 ILE 56 1HD1 ILE 56 5.041 -3.375 -5.358 389 HD13 ILE 56 2HD1 ILE 56 3.588 -2.423 -5.050 390 H GLU 57 H GLU 57 4.202 2.124 -8.680 391 HA GLU 57 HA GLU 57 2.687 4.250 -7.317 392 HB2 GLU 57 1HB GLU 57 4.317 4.188 -9.799 393 HB3 GLU 57 2HB GLU 57 2.873 5.191 -9.822 394 HG2 GLU 57 1HG GLU 57 3.859 6.050 -7.531 395 HG3 GLU 57 2HG GLU 57 5.369 5.489 -8.247 396 H VAL 58 H VAL 58 0.628 3.597 -7.167 397 HA VAL 58 HA VAL 58 -0.629 2.374 -9.533 398 HB VAL 58 HB VAL 58 -2.356 1.519 -8.026 399 HG11 VAL 58 1HG1 VAL 58 0.353 0.829 -6.908 400 HG12 VAL 58 2HG1 VAL 58 -1.077 -0.201 -7.004 401 HG13 VAL 58 3HG1 VAL 58 -0.222 0.263 -8.476 402 HG21 VAL 58 3HG2 VAL 58 -0.961 3.265 -6.098 403 HG22 VAL 58 1HG2 VAL 58 -2.665 2.823 -6.206 404 HG23 VAL 58 2HG2 VAL 58 -1.508 1.706 -5.481 405 H ASP 59 H ASP 59 -2.967 2.916 -9.823 406 HA ASP 59 HA ASP 59 -3.578 5.675 -9.010 407 HB2 ASP 59 1HB ASP 59 -2.705 5.623 -11.345 408 HB3 ASP 59 2HB ASP 59 -4.038 4.558 -11.782 409 H GLY 60 H GLY 60 -5.752 6.158 -8.704 410 HA2 GLY 60 1HA GLY 60 -8.089 5.630 -8.899 411 HA3 GLY 60 2HA GLY 60 -7.652 3.932 -9.027 412 H LEU 61 H LEU 61 -9.171 3.461 -7.366 413 HA LEU 61 HA LEU 61 -8.147 4.090 -4.679 414 HB2 LEU 61 1HB LEU 61 -11.058 3.767 -5.374 415 HB3 LEU 61 2HB LEU 61 -10.375 4.257 -3.825 416 HG LEU 61 HG LEU 61 -10.184 5.895 -6.349 417 HD11 LEU 61 1HD1 LEU 61 -12.203 6.746 -5.975 418 HD12 LEU 61 2HD1 LEU 61 -11.874 6.954 -4.255 419 HD13 LEU 61 3HD1 LEU 61 -12.472 5.408 -4.858 420 HD21 LEU 61 3HD2 LEU 61 -9.659 7.699 -4.698 421 HD22 LEU 61 1HD2 LEU 61 -8.431 6.439 -4.825 422 HD23 LEU 61 2HD2 LEU 61 -9.545 6.450 -3.457 423 H SER 62 H SER 62 -7.652 1.790 -6.401 424 HA SER 62 HA SER 62 -7.958 -0.267 -4.505 425 HB2 SER 62 1HB SER 62 -9.598 -1.688 -5.516 426 HB3 SER 62 2HB SER 62 -10.334 -0.092 -5.363 427 HG SER 62 HG SER 62 -9.049 -0.295 -7.714 428 H TYR 63 H TYR 63 -6.328 -1.624 -4.841 429 HA TYR 63 HA TYR 63 -5.487 -2.245 -7.570 430 HB2 TYR 63 1HB TYR 63 -4.100 -0.331 -6.830 431 HB3 TYR 63 2HB TYR 63 -3.565 -1.275 -5.444 432 HD1 TYR 63 2HD TYR 63 -2.118 -3.262 -5.788 433 HD2 TYR 63 1HD TYR 63 -3.153 -0.664 -8.995 434 HE1 TYR 63 2HE TYR 63 -0.275 -4.189 -7.126 435 HE2 TYR 63 1HE TYR 63 -1.313 -1.585 -10.342 436 HH TYR 63 HH TYR 63 1.186 -3.221 -9.167 437 H LYS 64 H LYS 64 -5.311 -4.367 -7.765 438 HA LYS 64 HA LYS 64 -5.045 -6.015 -5.372 439 HB2 LYS 64 1HB LYS 64 -6.745 -6.356 -7.327 440 HB3 LYS 64 2HB LYS 64 -5.381 -7.107 -8.145 441 HG2 LYS 64 1HG LYS 64 -5.222 -8.442 -5.865 442 HG3 LYS 64 2HG LYS 64 -6.938 -8.034 -5.798 443 HD2 LYS 64 1HD LYS 64 -6.949 -8.906 -8.259 444 HD3 LYS 64 2HD LYS 64 -5.460 -9.722 -7.775 445 HE2 LYS 64 1HE LYS 64 -6.566 -10.971 -6.113 446 HE3 LYS 64 2HE LYS 64 -7.997 -9.943 -6.179 447 HZ1 LYS 64 3HZ LYS 64 -8.680 -10.886 -8.166 448 HZ2 LYS 64 1HZ LYS 64 -8.076 -12.219 -7.317 449 HZ3 LYS 64 2HZ LYS 64 -7.149 -11.502 -8.536 450 H LEU 65 H LEU 65 -3.063 -6.522 -4.728 451 HA LEU 65 HA LEU 65 -0.830 -6.497 -6.555 452 HB2 LEU 65 1HB LEU 65 -1.028 -5.878 -3.964 453 HB3 LEU 65 2HB LEU 65 -0.536 -7.563 -3.807 454 HG LEU 65 HG LEU 65 1.349 -6.759 -5.508 455 HD11 LEU 65 1HD1 LEU 65 1.226 -4.557 -5.859 456 HD12 LEU 65 2HD1 LEU 65 1.890 -4.399 -4.234 457 HD13 LEU 65 3HD1 LEU 65 0.147 -4.303 -4.487 458 HD21 LEU 65 3HD2 LEU 65 1.881 -7.805 -3.446 459 HD22 LEU 65 1HD2 LEU 65 1.288 -6.429 -2.516 460 HD23 LEU 65 2HD2 LEU 65 2.758 -6.275 -3.478 461 H GLU 66 H GLU 66 0.467 -8.246 -7.120 462 HA GLU 66 HA GLU 66 -0.363 -10.921 -6.319 463 HB2 GLU 66 1HB GLU 66 -0.139 -10.202 -9.242 464 HB3 GLU 66 2HB GLU 66 -0.653 -11.736 -8.556 465 HG2 GLU 66 1HG GLU 66 -2.612 -10.539 -7.567 466 HG3 GLU 66 2HG GLU 66 -2.129 -9.119 -8.493 467 H GLY 67 H GLY 67 1.182 -12.589 -6.986 468 HA2 GLY 67 1HA GLY 67 3.306 -13.321 -7.663 469 HA3 GLY 67 2HA GLY 67 3.782 -11.647 -7.905 470 H LEU 68 H LEU 68 2.266 -12.777 -4.962 471 HA LEU 68 HA LEU 68 4.727 -12.108 -3.515 472 HB2 LEU 68 1HB LEU 68 1.942 -12.512 -2.438 473 HB3 LEU 68 2HB LEU 68 3.335 -11.901 -1.548 474 HG LEU 68 HG LEU 68 2.488 -10.378 -3.948 475 HD11 LEU 68 1HD1 LEU 68 0.860 -10.637 -1.447 476 HD12 LEU 68 2HD1 LEU 68 0.329 -10.643 -3.128 477 HD13 LEU 68 3HD1 LEU 68 0.868 -9.140 -2.380 478 HD21 LEU 68 3HD2 LEU 68 3.659 -8.736 -2.976 479 HD22 LEU 68 1HD2 LEU 68 4.316 -10.013 -1.952 480 HD23 LEU 68 2HD2 LEU 68 2.956 -9.042 -1.388 481 H LYS 69 H LYS 69 4.549 -13.434 -1.218 482 HA LYS 69 HA LYS 69 5.038 -16.182 -2.026 483 HB2 LYS 69 1HB LYS 69 5.589 -14.598 0.470 484 HB3 LYS 69 2HB LYS 69 5.739 -16.351 0.458 485 HG2 LYS 69 1HG LYS 69 7.236 -15.876 -1.652 486 HG3 LYS 69 2HG LYS 69 7.402 -14.292 -0.892 487 HD2 LYS 69 1HD LYS 69 7.844 -16.821 0.661 488 HD3 LYS 69 2HD LYS 69 9.130 -16.109 -0.315 489 HE2 LYS 69 1HE LYS 69 9.158 -14.140 0.974 490 HE3 LYS 69 2HE LYS 69 7.609 -14.515 1.728 491 HZ1 LYS 69 3HZ LYS 69 9.086 -15.075 3.372 492 HZ2 LYS 69 1HZ LYS 69 10.268 -15.631 2.297 493 HZ3 LYS 69 2HZ LYS 69 8.896 -16.571 2.606 494 H LYS 70 H LYS 70 3.856 -17.927 -1.435 495 HA LYS 70 HA LYS 70 1.233 -17.997 -1.086 496 HB2 LYS 70 1HB LYS 70 3.003 -19.927 -1.019 497 HB3 LYS 70 2HB LYS 70 2.801 -19.799 0.724 498 HG2 LYS 70 1HG LYS 70 0.679 -20.623 0.682 499 HG3 LYS 70 2HG LYS 70 0.355 -20.014 -0.943 500 HD2 LYS 70 1HD LYS 70 2.256 -22.279 -0.366 501 HD3 LYS 70 2HD LYS 70 0.548 -22.516 -0.744 502 HE2 LYS 70 1HE LYS 70 1.150 -20.987 -2.806 503 HE3 LYS 70 2HE LYS 70 2.777 -21.587 -2.488 504 HZ1 LYS 70 3HZ LYS 70 0.434 -23.372 -2.823 505 HZ2 LYS 70 1HZ LYS 70 2.070 -23.803 -2.811 506 HZ3 LYS 70 2HZ LYS 70 1.438 -22.918 -4.106 507 H PHE 71 H PHE 71 3.201 -18.361 1.862 508 HA PHE 71 HA PHE 71 1.304 -16.598 3.256 509 HB2 PHE 71 1HB PHE 71 0.822 -19.003 3.738 510 HB3 PHE 71 2HB PHE 71 2.443 -19.152 4.407 511 HD1 PHE 71 1HD PHE 71 3.039 -17.508 6.325 512 HD2 PHE 71 2HD PHE 71 -0.936 -18.433 5.117 513 HE1 PHE 71 1HE PHE 71 2.204 -16.763 8.516 514 HE2 PHE 71 2HE PHE 71 -1.778 -17.689 7.306 515 HZ PHE 71 HZ PHE 71 -0.207 -16.852 9.008 516 H THR 72 H THR 72 2.574 -14.850 3.541 517 HA THR 72 HA THR 72 4.847 -15.126 5.328 518 HB THR 72 HB THR 72 5.140 -13.858 2.598 519 HG1 THR 72 1HG THR 72 5.824 -16.301 3.682 520 HG21 THR 72 3HG2 THR 72 7.515 -14.123 4.288 521 HG22 THR 72 1HG2 THR 72 6.320 -12.987 4.913 522 HG23 THR 72 2HG2 THR 72 6.980 -12.770 3.292 523 H GLU 73 H GLU 73 4.552 -13.661 6.863 524 HA GLU 73 HA GLU 73 2.664 -11.642 6.855 525 HB2 GLU 73 1HB GLU 73 3.833 -12.559 8.866 526 HB3 GLU 73 2HB GLU 73 5.249 -11.617 8.420 527 HG2 GLU 73 1HG GLU 73 4.143 -9.577 8.817 528 HG3 GLU 73 2HG GLU 73 2.567 -10.361 8.899 529 H TYR 74 H TYR 74 2.553 -10.075 5.378 530 HA TYR 74 HA TYR 74 5.023 -8.670 4.621 531 HB2 TYR 74 1HB TYR 74 2.430 -9.164 3.205 532 HB3 TYR 74 2HB TYR 74 3.406 -7.768 2.764 533 HD1 TYR 74 2HD TYR 74 5.840 -8.195 2.082 534 HD2 TYR 74 1HD TYR 74 2.916 -11.277 2.327 535 HE1 TYR 74 2HE TYR 74 7.226 -9.617 0.633 536 HE2 TYR 74 1HE TYR 74 4.296 -12.708 0.878 537 HH TYR 74 HH TYR 74 6.128 -12.839 -0.375 538 H SER 75 H SER 75 5.194 -6.469 4.806 539 HA SER 75 HA SER 75 2.979 -5.097 6.184 540 HB2 SER 75 1HB SER 75 4.900 -5.520 7.690 541 HB3 SER 75 2HB SER 75 5.943 -4.623 6.586 542 HG SER 75 HG SER 75 3.628 -3.355 7.476 543 H LEU 76 H LEU 76 2.071 -3.825 4.693 544 HA LEU 76 HA LEU 76 3.774 -2.407 2.779 545 HB2 LEU 76 1HB LEU 76 0.778 -2.371 2.790 546 HB3 LEU 76 2HB LEU 76 1.882 -2.107 1.441 547 HG LEU 76 HG LEU 76 1.429 -4.769 2.788 548 HD11 LEU 76 1HD1 LEU 76 0.458 -4.989 0.253 549 HD12 LEU 76 2HD1 LEU 76 -0.045 -3.357 0.691 550 HD13 LEU 76 3HD1 LEU 76 -0.523 -4.726 1.695 551 HD21 LEU 76 3HD2 LEU 76 2.655 -5.687 0.932 552 HD22 LEU 76 1HD2 LEU 76 3.636 -4.443 1.706 553 HD23 LEU 76 2HD2 LEU 76 2.805 -4.093 0.190 554 H ARG 77 H ARG 77 2.913 -0.135 2.208 555 HA ARG 77 HA ARG 77 1.874 1.328 4.496 556 HB2 ARG 77 1HB ARG 77 4.333 1.250 4.836 557 HB3 ARG 77 2HB ARG 77 4.548 2.025 3.272 558 HG2 ARG 77 1HG ARG 77 3.550 4.036 4.030 559 HG3 ARG 77 2HG ARG 77 2.981 3.269 5.514 560 HD2 ARG 77 1HD ARG 77 4.850 4.436 6.231 561 HD3 ARG 77 2HD ARG 77 5.489 2.816 5.956 562 HE ARG 77 HE ARG 77 5.716 4.634 3.717 563 HH11 ARG 77 1HH1 ARG 77 7.225 3.300 6.556 564 HH12 ARG 77 2HH1 ARG 77 8.834 3.680 6.039 565 HH21 ARG 77 1HH2 ARG 77 7.829 5.139 3.024 566 HH22 ARG 77 2HH2 ARG 77 9.177 4.726 4.030 567 H PHE 78 H PHE 78 0.322 2.565 3.697 568 HA PHE 78 HA PHE 78 0.591 3.586 0.953 569 HB2 PHE 78 1HB PHE 78 -1.436 2.137 1.862 570 HB3 PHE 78 2HB PHE 78 -1.998 3.704 2.434 571 HD1 PHE 78 1HD PHE 78 -0.843 1.932 -0.618 572 HD2 PHE 78 2HD PHE 78 -3.122 5.142 0.999 573 HE1 PHE 78 1HE PHE 78 -1.736 2.421 -2.858 574 HE2 PHE 78 2HE PHE 78 -4.020 5.636 -1.238 575 HZ PHE 78 HZ PHE 78 -3.327 4.274 -3.170 576 H LEU 79 H LEU 79 0.204 5.752 0.486 577 HA LEU 79 HA LEU 79 -0.465 7.628 2.561 578 HB2 LEU 79 1HB LEU 79 1.570 8.843 2.618 579 HB3 LEU 79 2HB LEU 79 1.957 7.152 2.933 580 HG LEU 79 HG LEU 79 2.520 7.072 0.399 581 HD11 LEU 79 1HD1 LEU 79 1.836 9.825 0.730 582 HD12 LEU 79 2HD1 LEU 79 2.310 8.964 -0.734 583 HD13 LEU 79 3HD1 LEU 79 3.541 9.694 0.297 584 HD21 LEU 79 3HD2 LEU 79 4.259 8.531 2.386 585 HD22 LEU 79 1HD2 LEU 79 4.816 7.795 0.883 586 HD23 LEU 79 2HD2 LEU 79 4.157 6.783 2.169 587 H ALA 80 H ALA 80 -0.556 9.864 1.738 588 HA ALA 80 HA ALA 80 -1.244 9.861 -1.117 589 HB1 ALA 80 3HB ALA 80 -3.133 10.723 -0.284 590 HB2 ALA 80 1HB ALA 80 -2.377 11.140 1.254 591 HB3 ALA 80 2HB ALA 80 -2.212 12.219 -0.133 592 H TYR 81 H TYR 81 -0.535 11.510 -2.494 593 HA TYR 81 HA TYR 81 1.384 13.452 -1.501 594 HB2 TYR 81 1HB TYR 81 3.177 12.778 -2.960 595 HB3 TYR 81 2HB TYR 81 2.703 11.385 -1.994 596 HD1 TYR 81 1HD TYR 81 1.896 12.955 -5.292 597 HD2 TYR 81 2HD TYR 81 2.455 9.364 -3.079 598 HE1 TYR 81 1HE TYR 81 1.581 11.645 -7.350 599 HE2 TYR 81 2HE TYR 81 2.143 8.045 -5.131 600 HH TYR 81 HH TYR 81 1.282 8.178 -7.293 601 H ASN 82 H ASN 82 1.549 15.260 -2.772 602 HA ASN 82 HA ASN 82 -0.005 15.269 -5.273 603 HB2 ASN 82 1HB ASN 82 -0.440 17.765 -4.558 604 HB3 ASN 82 2HB ASN 82 -1.449 16.468 -3.924 605 HD21 ASN 82 1HD2 ASN 82 1.779 17.691 -3.103 606 HD22 ASN 82 2HD2 ASN 82 1.442 17.946 -1.428 607 H ARG 83 H ARG 83 0.470 17.575 -6.372 608 HA ARG 83 HA ARG 83 2.876 17.510 -7.578 609 HB2 ARG 83 1HB ARG 83 2.640 19.901 -8.065 610 HB3 ARG 83 2HB ARG 83 1.105 19.060 -8.232 611 HG2 ARG 83 1HG ARG 83 0.192 20.070 -6.381 612 HG3 ARG 83 2HG ARG 83 1.765 20.386 -5.647 613 HD2 ARG 83 1HD ARG 83 0.637 21.773 -8.077 614 HD3 ARG 83 2HD ARG 83 0.708 22.444 -6.448 615 HE ARG 83 HE ARG 83 3.015 22.724 -6.681 616 HH11 ARG 83 1HH1 ARG 83 1.610 21.213 -9.485 617 HH12 ARG 83 2HH1 ARG 83 2.995 21.488 -10.489 618 HH21 ARG 83 1HH2 ARG 83 4.844 23.092 -7.992 619 HH22 ARG 83 2HH2 ARG 83 4.835 22.556 -9.639 620 H TYR 84 H TYR 84 2.214 18.850 -4.406 621 HA TYR 84 HA TYR 84 4.732 20.119 -4.055 622 HB2 TYR 84 1HB TYR 84 2.945 19.096 -1.850 623 HB3 TYR 84 2HB TYR 84 4.086 20.435 -1.782 624 HD1 TYR 84 1HD TYR 84 3.501 22.096 -4.013 625 HD2 TYR 84 2HD TYR 84 0.788 19.869 -1.609 626 HE1 TYR 84 1HE TYR 84 1.701 23.665 -4.602 627 HE2 TYR 84 2HE TYR 84 -1.021 21.431 -2.192 628 HH TYR 84 HH TYR 84 -0.865 24.179 -3.069 629 H GLY 85 H GLY 85 3.425 17.141 -2.572 630 HA2 GLY 85 1HA GLY 85 5.505 15.433 -3.086 631 HA3 GLY 85 2HA GLY 85 6.015 16.317 -1.655 632 HA PRO 86 HA PRO 86 3.360 12.603 -0.512 633 HB2 PRO 86 1HB PRO 86 5.262 11.297 0.919 634 HB3 PRO 86 2HB PRO 86 5.034 11.058 -0.818 635 HG2 PRO 86 1HG PRO 86 7.041 12.757 0.614 636 HG3 PRO 86 2HG PRO 86 7.271 11.692 -0.786 637 HD2 PRO 86 1HD PRO 86 7.019 14.378 -1.024 638 HD3 PRO 86 2HD PRO 86 6.438 13.250 -2.266 639 H GLY 87 H GLY 87 2.118 12.887 1.231 640 HA2 GLY 87 1HA GLY 87 3.056 14.621 3.377 641 HA3 GLY 87 2HA GLY 87 1.408 14.059 3.134 642 H VAL 88 H VAL 88 0.988 13.253 5.133 643 HA VAL 88 HA VAL 88 2.839 11.652 6.598 644 HB VAL 88 HB VAL 88 -0.140 11.974 6.990 645 HG11 VAL 88 1HG1 VAL 88 1.104 9.961 8.034 646 HG12 VAL 88 2HG1 VAL 88 1.813 11.166 9.111 647 HG13 VAL 88 3HG1 VAL 88 0.063 10.947 9.061 648 HG21 VAL 88 3HG2 VAL 88 1.955 13.825 7.336 649 HG22 VAL 88 1HG2 VAL 88 0.274 13.980 7.847 650 HG23 VAL 88 2HG2 VAL 88 1.472 13.299 8.948 651 H SER 89 H SER 89 2.927 9.457 6.875 652 HA SER 89 HA SER 89 1.537 7.873 4.842 653 HB2 SER 89 1HB SER 89 3.216 6.152 5.285 654 HB3 SER 89 2HB SER 89 4.003 7.698 4.967 655 HG SER 89 HG SER 89 3.694 7.733 7.504 656 H THR 90 H THR 90 0.550 5.859 5.382 657 HA THR 90 HA THR 90 -0.915 5.977 7.861 658 HB THR 90 HB THR 90 -2.113 4.003 7.033 659 HG1 THR 90 1HG THR 90 0.062 3.913 5.314 660 HG21 THR 90 3HG2 THR 90 -1.780 6.443 5.384 661 HG22 THR 90 1HG2 THR 90 -3.218 5.797 6.173 662 HG23 THR 90 2HG2 THR 90 -2.657 5.099 4.653 663 H ASP 91 H ASP 91 -1.207 3.928 9.155 664 HA ASP 91 HA ASP 91 1.297 3.124 10.207 665 HB2 ASP 91 1HB ASP 91 -1.415 1.865 10.672 666 HB3 ASP 91 2HB ASP 91 0.009 1.690 11.694 667 H ASP 92 H ASP 92 2.505 1.331 9.898 668 HA ASP 92 HA ASP 92 2.636 -0.028 7.574 669 HB2 ASP 92 1HB ASP 92 3.647 -1.953 8.941 670 HB3 ASP 92 2HB ASP 92 4.404 -0.369 9.088 671 H ILE 93 H ILE 93 1.104 -1.061 6.483 672 HA ILE 93 HA ILE 93 -1.080 -2.383 7.828 673 HB ILE 93 HB ILE 93 -0.424 -2.204 4.885 674 HG12 ILE 93 1HG1 ILE 93 -2.520 -0.714 6.475 675 HG13 ILE 93 2HG1 ILE 93 -0.942 -0.046 6.069 676 HG21 ILE 93 1HG2 ILE 93 -2.490 -3.167 4.402 677 HG22 ILE 93 2HG2 ILE 93 -1.873 -4.153 5.726 678 HG23 ILE 93 3HG2 ILE 93 -3.095 -2.921 6.040 679 HD11 ILE 93 3HD1 ILE 93 -2.483 0.803 4.497 680 HD12 ILE 93 1HD1 ILE 93 -1.527 -0.418 3.658 681 HD13 ILE 93 2HD1 ILE 93 -3.164 -0.795 4.196 682 H THR 94 H THR 94 -0.501 -4.240 8.815 683 HA THR 94 HA THR 94 1.243 -6.140 7.467 684 HB THR 94 HB THR 94 -0.094 -6.476 10.154 685 HG1 THR 94 1HG THR 94 2.246 -5.819 10.739 686 HG21 THR 94 3HG2 THR 94 1.488 -8.160 10.566 687 HG22 THR 94 1HG2 THR 94 2.509 -7.654 9.221 688 HG23 THR 94 2HG2 THR 94 0.967 -8.450 8.906 689 H VAL 95 H VAL 95 0.409 -7.546 6.081 690 HA VAL 95 HA VAL 95 -2.142 -8.841 6.743 691 HB VAL 95 HB VAL 95 -1.428 -7.750 4.017 692 HG11 VAL 95 1HG1 VAL 95 -2.552 -9.787 3.643 693 HG12 VAL 95 2HG1 VAL 95 -3.693 -9.491 4.957 694 HG13 VAL 95 3HG1 VAL 95 -3.781 -8.533 3.478 695 HG21 VAL 95 3HG2 VAL 95 -3.094 -6.146 4.302 696 HG22 VAL 95 1HG2 VAL 95 -3.833 -7.014 5.647 697 HG23 VAL 95 2HG2 VAL 95 -2.293 -6.184 5.873 698 H VAL 96 H VAL 96 -1.545 -10.886 7.088 699 HA VAL 96 HA VAL 96 0.658 -12.110 5.717 700 HB VAL 96 HB VAL 96 -1.425 -13.395 7.489 701 HG11 VAL 96 1HG1 VAL 96 0.753 -14.914 7.795 702 HG12 VAL 96 2HG1 VAL 96 -0.469 -15.232 6.563 703 HG13 VAL 96 3HG1 VAL 96 1.015 -14.380 6.136 704 HG21 VAL 96 3HG2 VAL 96 0.801 -13.271 9.002 705 HG22 VAL 96 1HG2 VAL 96 0.981 -11.790 8.061 706 HG23 VAL 96 2HG2 VAL 96 -0.469 -12.048 9.031 707 H THR 97 H THR 97 0.575 -12.977 3.762 708 HA THR 97 HA THR 97 -1.706 -13.212 2.192 709 HB THR 97 HB THR 97 -0.263 -14.867 0.829 710 HG1 THR 97 1HG THR 97 1.705 -15.279 1.556 711 HG21 THR 97 3HG2 THR 97 0.481 -12.014 1.415 712 HG22 THR 97 1HG2 THR 97 -0.416 -12.658 0.041 713 HG23 THR 97 2HG2 THR 97 1.317 -12.957 0.182 714 H LEU 98 H LEU 98 -2.940 -14.990 1.500 715 HA LEU 98 HA LEU 98 -3.797 -16.753 3.467 716 HB2 LEU 98 1HB LEU 98 -3.992 -17.268 0.509 717 HB3 LEU 98 2HB LEU 98 -5.075 -17.841 1.776 718 HG LEU 98 HG LEU 98 -4.804 -15.022 0.742 719 HD11 LEU 98 1HD1 LEU 98 -7.035 -15.296 -0.039 720 HD12 LEU 98 2HD1 LEU 98 -7.192 -16.855 0.770 721 HD13 LEU 98 3HD1 LEU 98 -6.104 -16.682 -0.608 722 HD21 LEU 98 3HD2 LEU 98 -5.598 -15.929 3.331 723 HD22 LEU 98 1HD2 LEU 98 -7.005 -15.283 2.485 724 HD23 LEU 98 2HD2 LEU 98 -5.565 -14.285 2.690 725 H SER 99 H SER 99 -3.921 -19.279 2.661 726 HA SER 99 HA SER 99 -1.187 -20.184 2.112 727 HB2 SER 99 1HB SER 99 -1.174 -20.312 4.464 728 HB3 SER 99 2HB SER 99 -2.847 -20.866 4.531 729 HG SER 99 HG SER 99 -2.226 -22.859 3.891 730 H ASP 100 H ASP 100 -1.483 -21.240 0.251 731 HA ASP 100 HA ASP 100 -3.799 -22.452 -0.665 732 HB2 ASP 100 1HB ASP 100 -1.592 -21.925 -1.909 733 HB3 ASP 100 2HB ASP 100 -1.080 -23.523 -1.372 734 H SER 101 H SER 101 -1.100 -23.887 1.131 735 HA SER 101 HA SER 101 -2.878 -26.070 1.933 736 HB2 SER 101 1HB SER 101 -1.302 -26.668 -0.054 737 HB3 SER 101 2HB SER 101 -0.039 -26.700 1.176 738 HG SER 101 HG SER 101 -1.274 -28.730 0.671 739 H GLY 102 H GLY 102 -2.801 -26.416 4.057 740 HA2 GLY 102 1HA GLY 102 -1.203 -26.893 5.943 741 HA3 GLY 102 2HA GLY 102 -0.478 -25.345 5.536 742 HA PRO 103 HA PRO 103 -4.848 -24.360 7.377 743 HB2 PRO 103 1HB PRO 103 -6.164 -26.434 8.532 744 HB3 PRO 103 2HB PRO 103 -6.359 -26.001 6.829 745 HG2 PRO 103 1HG PRO 103 -4.671 -28.147 8.057 746 HG3 PRO 103 2HG PRO 103 -5.694 -28.219 6.611 747 HD2 PRO 103 1HD PRO 103 -3.007 -27.910 6.481 748 HD3 PRO 103 2HD PRO 103 -4.109 -27.197 5.286 749 H SER 104 H SER 104 -2.163 -25.656 8.594 750 HA SER 104 HA SER 104 -2.261 -26.382 11.139 751 HB2 SER 104 1HB SER 104 -0.152 -25.800 10.069 752 HB3 SER 104 2HB SER 104 -0.573 -24.088 10.111 753 HG SER 104 HG SER 104 -0.719 -24.460 12.490 754 H SER 105 H SER 105 -3.000 -25.714 13.065 755 HA SER 105 HA SER 105 -4.958 -23.816 13.352 756 HB2 SER 105 1HB SER 105 -4.481 -23.901 15.796 757 HB3 SER 105 2HB SER 105 -4.561 -25.500 15.056 758 HG SER 105 HG SER 105 -2.740 -25.567 16.235 759 H GLY 106 H GLY 106 -4.709 -21.920 15.053 760 HA2 GLY 106 1HA GLY 106 -3.924 -19.802 15.467 761 HA3 GLY 106 2HA GLY 106 -2.323 -20.412 15.076 Start of MODEL 16 1 H1 GLY 1 H GLY 1 13.492 18.943 1.862 2 HA2 GLY 1 1HA GLY 1 15.299 20.365 2.263 3 HA3 GLY 1 2HA GLY 1 15.013 20.694 0.561 4 H SER 2 H SER 2 12.987 22.282 0.335 5 HA SER 2 HA SER 2 13.647 24.593 2.034 6 HB2 SER 2 1HB SER 2 14.152 24.987 -0.306 7 HB3 SER 2 2HB SER 2 12.529 24.484 -0.778 8 HG SER 2 HG SER 2 13.278 26.899 -0.250 9 H SER 3 H SER 3 12.138 25.431 3.321 10 HA SER 3 HA SER 3 9.738 24.190 3.890 11 HB2 SER 3 1HB SER 3 10.344 27.131 4.272 12 HB3 SER 3 2HB SER 3 9.147 26.185 5.155 13 HG SER 3 HG SER 3 10.836 24.969 6.040 14 H GLY 4 H GLY 4 7.519 24.985 3.618 15 HA2 GLY 4 1HA GLY 4 6.093 26.569 2.325 16 HA3 GLY 4 2HA GLY 4 7.155 26.238 0.965 17 H SER 5 H SER 5 7.277 23.894 0.305 18 HA SER 5 HA SER 5 4.780 22.973 -0.466 19 HB2 SER 5 1HB SER 5 5.872 21.068 -1.330 20 HB3 SER 5 2HB SER 5 7.100 22.333 -1.375 21 HG SER 5 HG SER 5 7.350 20.018 -0.262 22 H SER 6 H SER 6 3.185 22.004 0.585 23 HA SER 6 HA SER 6 3.756 20.790 3.198 24 HB2 SER 6 1HB SER 6 1.153 21.799 2.025 25 HB3 SER 6 2HB SER 6 1.317 21.053 3.615 26 HG SER 6 HG SER 6 2.814 22.769 4.113 27 H GLY 7 H GLY 7 2.282 18.923 3.784 28 HA2 GLY 7 1HA GLY 7 2.099 17.108 1.460 29 HA3 GLY 7 2HA GLY 7 2.487 16.586 3.093 30 HA PRO 8 HA PRO 8 -2.236 16.749 2.105 31 HB2 PRO 8 1HB PRO 8 -2.642 14.348 0.904 32 HB3 PRO 8 2HB PRO 8 -2.320 15.832 -0.001 33 HG2 PRO 8 1HG PRO 8 -0.442 13.623 0.744 34 HG3 PRO 8 2HG PRO 8 -0.594 14.491 -0.795 35 HD2 PRO 8 1HD PRO 8 1.337 15.062 1.016 36 HD3 PRO 8 2HD PRO 8 0.622 16.298 -0.039 37 H GLY 9 H GLY 9 -3.637 15.874 3.568 38 HA2 GLY 9 1HA GLY 9 -2.645 14.490 5.791 39 HA3 GLY 9 2HA GLY 9 -4.347 14.690 5.401 40 HA PRO 10 HA PRO 10 -2.887 10.198 4.951 41 HB2 PRO 10 1HB PRO 10 -4.178 9.179 7.111 42 HB3 PRO 10 2HB PRO 10 -2.525 9.800 7.185 43 HG2 PRO 10 1HG PRO 10 -5.086 11.134 7.972 44 HG3 PRO 10 2HG PRO 10 -3.527 11.119 8.816 45 HD2 PRO 10 1HD PRO 10 -4.348 13.214 7.311 46 HD3 PRO 10 2HD PRO 10 -2.638 12.763 7.467 47 H VAL 11 H VAL 11 -4.092 9.119 3.532 48 HA VAL 11 HA VAL 11 -6.631 9.746 2.714 49 HB VAL 11 HB VAL 11 -6.767 7.532 1.685 50 HG11 VAL 11 1HG1 VAL 11 -5.175 7.972 0.136 51 HG12 VAL 11 2HG1 VAL 11 -5.027 9.470 1.056 52 HG13 VAL 11 3HG1 VAL 11 -3.897 8.145 1.338 53 HG21 VAL 11 3HG2 VAL 11 -4.654 6.058 2.095 54 HG22 VAL 11 1HG2 VAL 11 -4.585 6.923 3.630 55 HG23 VAL 11 2HG2 VAL 11 -6.014 5.977 3.214 56 H GLU 12 H GLU 12 -8.516 8.051 2.770 57 HA GLU 12 HA GLU 12 -8.954 7.230 5.564 58 HB2 GLU 12 1HB GLU 12 -11.030 8.442 3.732 59 HB3 GLU 12 2HB GLU 12 -11.274 7.943 5.400 60 HG2 GLU 12 1HG GLU 12 -9.187 9.974 4.783 61 HG3 GLU 12 2HG GLU 12 -10.883 10.451 4.797 62 H ASN 13 H ASN 13 -11.199 5.888 5.518 63 HA ASN 13 HA ASN 13 -11.787 3.677 5.184 64 HB2 ASN 13 1HB ASN 13 -12.112 4.864 2.418 65 HB3 ASN 13 2HB ASN 13 -12.904 3.403 3.001 66 HD21 ASN 13 1HD2 ASN 13 -13.907 6.065 2.071 67 HD22 ASN 13 2HD2 ASN 13 -14.971 6.592 3.327 68 H LEU 14 H LEU 14 -9.034 3.785 5.172 69 HA LEU 14 HA LEU 14 -8.088 2.365 2.817 70 HB2 LEU 14 1HB LEU 14 -6.586 3.990 3.646 71 HB3 LEU 14 2HB LEU 14 -6.748 3.402 5.299 72 HG LEU 14 HG LEU 14 -5.696 1.214 4.203 73 HD11 LEU 14 1HD1 LEU 14 -4.587 1.471 2.280 74 HD12 LEU 14 2HD1 LEU 14 -4.001 3.075 2.720 75 HD13 LEU 14 3HD1 LEU 14 -5.617 2.883 2.041 76 HD21 LEU 14 3HD2 LEU 14 -3.740 3.380 4.739 77 HD22 LEU 14 1HD2 LEU 14 -3.814 1.734 5.370 78 HD23 LEU 14 2HD2 LEU 14 -4.888 2.975 6.017 79 H GLN 15 H GLN 15 -7.844 0.225 2.675 80 HA GLN 15 HA GLN 15 -7.453 -1.425 5.002 81 HB2 GLN 15 1HB GLN 15 -10.048 -1.440 3.487 82 HB3 GLN 15 2HB GLN 15 -9.471 -2.886 4.304 83 HG2 GLN 15 1HG GLN 15 -9.247 -1.265 6.348 84 HG3 GLN 15 2HG GLN 15 -10.427 -0.314 5.448 85 HE21 GLN 15 1HE2 GLN 15 -12.449 -0.709 5.950 86 HE22 GLN 15 2HE2 GLN 15 -13.083 -2.201 6.548 87 H ALA 16 H ALA 16 -6.459 -3.325 4.513 88 HA ALA 16 HA ALA 16 -6.271 -4.086 1.679 89 HB1 ALA 16 3HB ALA 16 -4.142 -3.112 3.367 90 HB2 ALA 16 1HB ALA 16 -3.796 -4.736 2.772 91 HB3 ALA 16 2HB ALA 16 -4.146 -3.435 1.633 92 H VAL 17 H VAL 17 -6.563 -6.195 1.307 93 HA VAL 17 HA VAL 17 -5.952 -8.175 3.336 94 HB VAL 17 HB VAL 17 -8.244 -7.483 3.923 95 HG11 VAL 17 1HG1 VAL 17 -8.607 -7.337 1.171 96 HG12 VAL 17 2HG1 VAL 17 -9.587 -8.713 1.679 97 HG13 VAL 17 3HG1 VAL 17 -9.841 -7.130 2.413 98 HG21 VAL 17 3HG2 VAL 17 -7.814 -9.678 4.544 99 HG22 VAL 17 1HG2 VAL 17 -9.287 -9.829 3.585 100 HG23 VAL 17 2HG2 VAL 17 -7.726 -10.240 2.874 101 H SER 18 H SER 18 -5.590 -10.200 2.502 102 HA SER 18 HA SER 18 -5.396 -10.342 -0.400 103 HB2 SER 18 1HB SER 18 -3.444 -11.006 0.932 104 HB3 SER 18 2HB SER 18 -4.405 -12.249 1.735 105 HG SER 18 HG SER 18 -3.346 -12.194 -0.837 106 H THR 19 H THR 19 -6.575 -11.656 -1.680 107 HA THR 19 HA THR 19 -8.678 -13.250 -0.374 108 HB THR 19 HB THR 19 -10.105 -12.866 -2.193 109 HG1 THR 19 1HG THR 19 -8.055 -11.646 -3.719 110 HG21 THR 19 3HG2 THR 19 -9.930 -10.365 -2.629 111 HG22 THR 19 1HG2 THR 19 -8.479 -10.396 -1.629 112 HG23 THR 19 2HG2 THR 19 -10.035 -10.863 -0.941 113 H SER 20 H SER 20 -5.778 -13.581 -1.907 114 HA SER 20 HA SER 20 -6.415 -16.337 -2.682 115 HB2 SER 20 1HB SER 20 -5.589 -14.201 -4.467 116 HB3 SER 20 2HB SER 20 -4.442 -15.541 -4.493 117 HG SER 20 HG SER 20 -7.151 -15.493 -5.211 118 HA PRO 21 HA PRO 21 -2.738 -17.920 -0.893 119 HB2 PRO 21 1HB PRO 21 -1.472 -18.199 -3.580 120 HB3 PRO 21 2HB PRO 21 -1.656 -19.396 -2.293 121 HG2 PRO 21 1HG PRO 21 -3.220 -19.433 -4.469 122 HG3 PRO 21 2HG PRO 21 -3.840 -19.877 -2.868 123 HD2 PRO 21 1HD PRO 21 -4.316 -17.444 -4.474 124 HD3 PRO 21 2HD PRO 21 -5.356 -18.238 -3.274 125 H THR 22 H THR 22 -1.873 -15.891 -3.698 126 HA THR 22 HA THR 22 -0.059 -14.378 -1.951 127 HB THR 22 HB THR 22 1.706 -14.353 -3.532 128 HG1 THR 22 1HG THR 22 1.419 -15.431 -5.601 129 HG21 THR 22 3HG2 THR 22 2.388 -16.610 -3.603 130 HG22 THR 22 1HG2 THR 22 0.727 -17.194 -3.691 131 HG23 THR 22 2HG2 THR 22 1.336 -16.492 -2.193 132 H SER 23 H SER 23 -1.519 -12.671 -1.857 133 HA SER 23 HA SER 23 -1.374 -10.807 -4.006 134 HB2 SER 23 1HB SER 23 -4.174 -11.743 -3.400 135 HB3 SER 23 2HB SER 23 -3.620 -10.731 -4.734 136 HG SER 23 HG SER 23 -3.022 -12.458 -5.812 137 H ILE 24 H ILE 24 -2.968 -8.895 -3.506 138 HA ILE 24 HA ILE 24 -3.686 -8.550 -0.751 139 HB ILE 24 HB ILE 24 -1.322 -7.014 -1.832 140 HG12 ILE 24 1HG1 ILE 24 -1.665 -8.991 0.424 141 HG13 ILE 24 2HG1 ILE 24 -0.611 -9.129 -0.979 142 HG21 ILE 24 1HG2 ILE 24 -1.363 -5.887 0.402 143 HG22 ILE 24 2HG2 ILE 24 -2.703 -5.462 -0.662 144 HG23 ILE 24 3HG2 ILE 24 -2.956 -6.598 0.663 145 HD11 ILE 24 3HD1 ILE 24 0.665 -7.170 -0.105 146 HD12 ILE 24 1HD1 ILE 24 -0.307 -7.272 1.363 147 HD13 ILE 24 2HD1 ILE 24 0.739 -8.616 0.902 148 H LEU 25 H LEU 25 -5.642 -7.725 -1.183 149 HA LEU 25 HA LEU 25 -6.008 -5.778 -3.301 150 HB2 LEU 25 1HB LEU 25 -7.621 -7.649 -2.769 151 HB3 LEU 25 2HB LEU 25 -8.055 -6.746 -1.319 152 HG LEU 25 HG LEU 25 -8.867 -4.903 -2.705 153 HD11 LEU 25 1HD1 LEU 25 -9.170 -5.610 -5.215 154 HD12 LEU 25 2HD1 LEU 25 -7.739 -6.585 -4.886 155 HD13 LEU 25 3HD1 LEU 25 -7.684 -4.837 -4.663 156 HD21 LEU 25 3HD2 LEU 25 -9.945 -7.645 -2.887 157 HD22 LEU 25 1HD2 LEU 25 -10.615 -6.465 -4.013 158 HD23 LEU 25 2HD2 LEU 25 -10.690 -6.167 -2.276 159 H ILE 26 H ILE 26 -5.312 -3.783 -2.834 160 HA ILE 26 HA ILE 26 -5.818 -2.676 -0.168 161 HB ILE 26 HB ILE 26 -4.181 -1.438 -2.379 162 HG12 ILE 26 1HG1 ILE 26 -2.922 -2.782 -0.030 163 HG13 ILE 26 2HG1 ILE 26 -3.504 -3.792 -1.350 164 HG21 ILE 26 1HG2 ILE 26 -3.129 -0.297 -0.353 165 HG22 ILE 26 2HG2 ILE 26 -4.748 0.221 -0.824 166 HG23 ILE 26 3HG2 ILE 26 -4.534 -0.868 0.547 167 HD11 ILE 26 3HD1 ILE 26 -1.072 -2.384 -1.158 168 HD12 ILE 26 1HD1 ILE 26 -1.667 -3.367 -2.495 169 HD13 ILE 26 2HD1 ILE 26 -2.012 -1.638 -2.449 170 H THR 27 H THR 27 -7.742 -1.727 0.012 171 HA THR 27 HA THR 27 -8.720 -0.091 -2.233 172 HB THR 27 HB THR 27 -10.974 -0.327 -1.204 173 HG1 THR 27 1HG THR 27 -10.047 -0.877 0.937 174 HG21 THR 27 3HG2 THR 27 -11.022 -1.893 -2.808 175 HG22 THR 27 1HG2 THR 27 -10.781 -3.056 -1.505 176 HG23 THR 27 2HG2 THR 27 -9.397 -2.460 -2.422 177 H TRP 28 H TRP 28 -8.075 1.950 -1.871 178 HA TRP 28 HA TRP 28 -8.536 3.081 0.811 179 HB2 TRP 28 1HB TRP 28 -6.769 4.687 0.345 180 HB3 TRP 28 2HB TRP 28 -6.160 3.050 0.118 181 HD1 TRP 28 HD TRP 28 -6.546 6.321 -1.652 182 HE1 TRP 28 1HE TRP 28 -5.694 6.113 -4.072 183 HE3 TRP 28 3HE TRP 28 -6.074 1.237 -1.913 184 HZ2 TRP 28 2HZ TRP 28 -4.925 4.065 -5.856 185 HZ3 TRP 28 3HZ TRP 28 -5.274 0.233 -4.012 186 HH2 TRP 28 HH TRP 28 -4.713 1.620 -5.942 187 H GLU 29 H GLU 29 -8.621 5.663 0.502 188 HA GLU 29 HA GLU 29 -10.294 6.381 -1.771 189 HB2 GLU 29 1HB GLU 29 -11.254 6.137 1.030 190 HB3 GLU 29 2HB GLU 29 -11.801 7.538 0.119 191 HG2 GLU 29 1HG GLU 29 -12.431 5.814 -1.699 192 HG3 GLU 29 2HG GLU 29 -12.316 4.641 -0.389 193 HA PRO 30 HA PRO 30 -8.368 10.307 -1.439 194 HB2 PRO 30 1HB PRO 30 -10.372 12.018 -2.095 195 HB3 PRO 30 2HB PRO 30 -9.585 10.962 -3.275 196 HG2 PRO 30 1HG PRO 30 -12.188 10.594 -1.844 197 HG3 PRO 30 2HG PRO 30 -11.797 10.297 -3.547 198 HD2 PRO 30 1HD PRO 30 -11.935 8.308 -1.716 199 HD3 PRO 30 2HD PRO 30 -10.822 8.258 -3.098 200 HA PRO 31 HA PRO 31 -9.213 11.643 2.724 201 HB2 PRO 31 1HB PRO 31 -7.263 13.529 2.835 202 HB3 PRO 31 2HB PRO 31 -6.933 11.797 2.968 203 HG2 PRO 31 1HG PRO 31 -6.670 13.599 0.592 204 HG3 PRO 31 2HG PRO 31 -5.568 12.333 1.163 205 HD2 PRO 31 1HD PRO 31 -7.295 11.944 -0.885 206 HD3 PRO 31 2HD PRO 31 -6.821 10.642 0.224 207 H ALA 32 H ALA 32 -9.939 13.547 3.817 208 HA ALA 32 HA ALA 32 -11.316 15.401 2.031 209 HB1 ALA 32 3HB ALA 32 -12.504 16.099 4.118 210 HB2 ALA 32 1HB ALA 32 -12.713 14.401 3.686 211 HB3 ALA 32 2HB ALA 32 -11.601 14.852 4.979 212 H TYR 33 H TYR 33 -9.120 15.471 4.822 213 HA TYR 33 HA TYR 33 -8.732 18.338 4.498 214 HB2 TYR 33 1HB TYR 33 -7.044 17.749 6.479 215 HB3 TYR 33 2HB TYR 33 -8.770 17.958 6.752 216 HD1 TYR 33 2HD TYR 33 -6.403 15.231 5.767 217 HD2 TYR 33 1HD TYR 33 -9.813 16.366 8.046 218 HE1 TYR 33 2HE TYR 33 -6.524 12.961 6.707 219 HE2 TYR 33 1HE TYR 33 -9.942 14.099 8.992 220 HH TYR 33 HH TYR 33 -8.753 11.543 7.812 221 H ALA 34 H ALA 34 -7.838 17.605 2.260 222 HA ALA 34 HA ALA 34 -4.942 17.119 2.512 223 HB1 ALA 34 3HB ALA 34 -4.936 15.959 0.523 224 HB2 ALA 34 1HB ALA 34 -6.508 15.509 1.185 225 HB3 ALA 34 2HB ALA 34 -6.400 16.748 -0.066 226 H ASN 35 H ASN 35 -3.538 18.588 1.729 227 HA ASN 35 HA ASN 35 -4.490 21.187 1.051 228 HB2 ASN 35 1HB ASN 35 -2.375 20.764 2.297 229 HB3 ASN 35 2HB ASN 35 -1.676 20.097 0.824 230 HD21 ASN 35 1HD2 ASN 35 -0.664 22.296 2.277 231 HD22 ASN 35 2HD2 ASN 35 -0.746 23.688 1.256 232 H GLY 36 H GLY 36 -5.665 21.119 -0.843 233 HA2 GLY 36 1HA GLY 36 -5.804 21.495 -3.130 234 HA3 GLY 36 2HA GLY 36 -4.098 21.099 -3.270 235 HA PRO 37 HA PRO 37 -6.455 17.645 -5.215 236 HB2 PRO 37 1HB PRO 37 -4.747 17.366 -7.307 237 HB3 PRO 37 2HB PRO 37 -6.084 18.523 -7.305 238 HG2 PRO 37 1HG PRO 37 -3.180 18.983 -6.741 239 HG3 PRO 37 2HG PRO 37 -4.302 19.963 -7.703 240 HD2 PRO 37 1HD PRO 37 -3.619 20.603 -5.162 241 HD3 PRO 37 2HD PRO 37 -5.218 20.969 -5.842 242 H VAL 38 H VAL 38 -5.345 15.541 -6.175 243 HA VAL 38 HA VAL 38 -3.050 14.814 -4.484 244 HB VAL 38 HB VAL 38 -5.539 13.152 -4.897 245 HG11 VAL 38 1HG1 VAL 38 -4.356 11.337 -4.418 246 HG12 VAL 38 2HG1 VAL 38 -2.883 12.309 -4.468 247 HG13 VAL 38 3HG1 VAL 38 -3.745 12.088 -2.944 248 HG21 VAL 38 3HG2 VAL 38 -4.385 14.561 -2.500 249 HG22 VAL 38 1HG2 VAL 38 -5.970 14.789 -3.240 250 HG23 VAL 38 2HG2 VAL 38 -5.607 13.295 -2.375 251 H GLN 39 H GLN 39 -1.607 14.852 -6.184 252 HA GLN 39 HA GLN 39 -1.779 14.109 -8.750 253 HB2 GLN 39 1HB GLN 39 0.412 13.612 -6.760 254 HB3 GLN 39 2HB GLN 39 0.587 13.076 -8.426 255 HG2 GLN 39 1HG GLN 39 -0.084 15.911 -7.708 256 HG3 GLN 39 2HG GLN 39 1.574 15.327 -7.837 257 HE21 GLN 39 1HE2 GLN 39 1.951 16.776 -9.542 258 HE22 GLN 39 2HE2 GLN 39 1.354 16.469 -11.134 259 H GLY 40 H GLY 40 -1.450 11.839 -6.044 260 HA2 GLY 40 1HA GLY 40 -3.011 9.831 -7.172 261 HA3 GLY 40 2HA GLY 40 -1.350 9.497 -7.637 262 H TYR 41 H TYR 41 -0.919 7.722 -6.438 263 HA TYR 41 HA TYR 41 -0.636 8.110 -3.578 264 HB2 TYR 41 1HB TYR 41 -2.208 5.735 -4.578 265 HB3 TYR 41 2HB TYR 41 -1.941 6.223 -2.908 266 HD1 TYR 41 1HD TYR 41 -3.753 7.026 -6.016 267 HD2 TYR 41 2HD TYR 41 -3.304 7.895 -1.875 268 HE1 TYR 41 1HE TYR 41 -5.851 8.309 -6.064 269 HE2 TYR 41 2HE TYR 41 -5.401 9.180 -1.912 270 HH TYR 41 HH TYR 41 -6.728 10.471 -4.155 271 H ARG 42 H ARG 42 1.102 7.066 -2.792 272 HA ARG 42 HA ARG 42 2.485 5.208 -4.608 273 HB2 ARG 42 1HB ARG 42 3.491 7.494 -3.695 274 HB3 ARG 42 2HB ARG 42 3.896 6.483 -2.314 275 HG2 ARG 42 1HG ARG 42 5.055 4.928 -3.870 276 HG3 ARG 42 2HG ARG 42 4.757 6.085 -5.169 277 HD2 ARG 42 1HD ARG 42 6.049 7.069 -2.679 278 HD3 ARG 42 2HD ARG 42 7.012 6.085 -3.780 279 HE ARG 42 HE ARG 42 5.605 8.285 -5.017 280 HH11 ARG 42 1HH1 ARG 42 8.547 7.196 -3.507 281 HH12 ARG 42 2HH1 ARG 42 9.528 8.427 -4.231 282 HH21 ARG 42 1HH2 ARG 42 6.887 9.911 -5.977 283 HH22 ARG 42 2HH2 ARG 42 8.583 9.971 -5.635 284 H LEU 43 H LEU 43 2.874 3.172 -3.982 285 HA LEU 43 HA LEU 43 2.197 2.447 -1.208 286 HB2 LEU 43 1HB LEU 43 0.655 1.359 -2.574 287 HB3 LEU 43 2HB LEU 43 1.860 1.008 -3.812 288 HG LEU 43 HG LEU 43 2.900 -0.597 -2.142 289 HD11 LEU 43 1HD1 LEU 43 0.637 0.406 -0.590 290 HD12 LEU 43 2HD1 LEU 43 2.113 -0.401 -0.059 291 HD13 LEU 43 3HD1 LEU 43 0.748 -1.354 -0.641 292 HD21 LEU 43 3HD2 LEU 43 1.740 -2.289 -3.091 293 HD22 LEU 43 1HD2 LEU 43 1.085 -0.983 -4.079 294 HD23 LEU 43 2HD2 LEU 43 0.171 -1.584 -2.695 295 H PHE 44 H PHE 44 3.522 1.025 -0.080 296 HA PHE 44 HA PHE 44 6.101 0.375 -1.337 297 HB2 PHE 44 1HB PHE 44 5.834 1.243 1.541 298 HB3 PHE 44 2HB PHE 44 7.311 1.041 0.604 299 HD1 PHE 44 2HD PHE 44 7.643 2.605 -1.404 300 HD2 PHE 44 1HD PHE 44 4.828 3.322 1.707 301 HE1 PHE 44 2HE PHE 44 7.584 4.989 -2.012 302 HE2 PHE 44 1HE PHE 44 4.764 5.707 1.104 303 HZ PHE 44 HZ PHE 44 6.144 6.543 -0.756 304 H CYS 45 H CYS 45 6.177 -1.767 -1.466 305 HA CYS 45 HA CYS 45 4.977 -3.376 0.673 306 HB2 CYS 45 1HB CYS 45 4.146 -4.020 -1.460 307 HB3 CYS 45 2HB CYS 45 5.756 -4.015 -2.169 308 HG CYS 45 HG CYS 45 6.550 -6.230 -0.464 309 H THR 46 H THR 46 6.283 -4.106 2.201 310 HA THR 46 HA THR 46 9.080 -4.716 1.494 311 HB THR 46 HB THR 46 8.083 -3.794 4.195 312 HG1 THR 46 1HG THR 46 8.205 -1.879 3.309 313 HG21 THR 46 3HG2 THR 46 10.873 -4.206 3.115 314 HG22 THR 46 1HG2 THR 46 10.067 -5.207 4.321 315 HG23 THR 46 2HG2 THR 46 10.478 -3.533 4.696 316 H GLU 47 H GLU 47 9.733 -6.743 1.825 317 HA GLU 47 HA GLU 47 7.896 -8.647 2.993 318 HB2 GLU 47 1HB GLU 47 9.194 -9.122 0.911 319 HB3 GLU 47 2HB GLU 47 10.663 -9.124 1.877 320 HG2 GLU 47 1HG GLU 47 9.708 -10.981 3.219 321 HG3 GLU 47 2HG GLU 47 8.346 -11.028 2.101 322 H VAL 48 H VAL 48 7.897 -9.204 5.059 323 HA VAL 48 HA VAL 48 9.837 -8.264 6.901 324 HB VAL 48 HB VAL 48 7.713 -10.380 7.282 325 HG11 VAL 48 1HG1 VAL 48 7.973 -9.983 9.659 326 HG12 VAL 48 2HG1 VAL 48 9.513 -10.488 8.961 327 HG13 VAL 48 3HG1 VAL 48 9.233 -8.789 9.346 328 HG21 VAL 48 3HG2 VAL 48 7.030 -8.008 6.583 329 HG22 VAL 48 1HG2 VAL 48 6.268 -8.695 8.018 330 HG23 VAL 48 2HG2 VAL 48 7.573 -7.522 8.189 331 H SER 49 H SER 49 9.418 -11.258 5.154 332 HA SER 49 HA SER 49 11.064 -12.927 6.687 333 HB2 SER 49 1HB SER 49 10.091 -12.925 3.869 334 HB3 SER 49 2HB SER 49 11.430 -13.999 4.274 335 HG SER 49 HG SER 49 9.073 -13.919 5.827 336 H THR 50 H THR 50 11.845 -10.942 3.840 337 HA THR 50 HA THR 50 14.696 -11.402 4.313 338 HB THR 50 HB THR 50 15.040 -10.280 2.136 339 HG1 THR 50 1HG THR 50 13.253 -9.660 0.921 340 HG21 THR 50 3HG2 THR 50 14.246 -12.060 0.767 341 HG22 THR 50 1HG2 THR 50 12.935 -12.424 1.888 342 HG23 THR 50 2HG2 THR 50 14.605 -12.755 2.348 343 H GLY 51 H GLY 51 12.523 -8.640 3.666 344 HA2 GLY 51 1HA GLY 51 12.570 -6.752 5.219 345 HA3 GLY 51 2HA GLY 51 14.304 -7.003 5.361 346 H LYS 52 H LYS 52 12.917 -7.323 2.230 347 HA LYS 52 HA LYS 52 14.237 -4.833 1.424 348 HB2 LYS 52 1HB LYS 52 13.425 -7.318 -0.065 349 HB3 LYS 52 2HB LYS 52 13.822 -5.833 -0.920 350 HG2 LYS 52 1HG LYS 52 15.996 -5.945 0.545 351 HG3 LYS 52 2HG LYS 52 15.583 -7.659 0.633 352 HD2 LYS 52 1HD LYS 52 15.535 -6.337 -2.031 353 HD3 LYS 52 2HD LYS 52 17.105 -6.690 -1.305 354 HE2 LYS 52 1HE LYS 52 16.675 -8.607 -2.529 355 HE3 LYS 52 2HE LYS 52 16.118 -9.052 -0.917 356 HZ1 LYS 52 3HZ LYS 52 14.396 -8.118 -3.149 357 HZ2 LYS 52 1HZ LYS 52 13.856 -8.522 -1.598 358 HZ3 LYS 52 2HZ LYS 52 14.525 -9.711 -2.597 359 H GLU 53 H GLU 53 13.123 -3.109 0.752 360 HA GLU 53 HA GLU 53 10.209 -3.350 0.567 361 HB2 GLU 53 1HB GLU 53 10.916 -1.682 2.131 362 HB3 GLU 53 2HB GLU 53 12.029 -0.977 0.967 363 HG2 GLU 53 1HG GLU 53 9.144 -1.059 0.275 364 HG3 GLU 53 2HG GLU 53 9.686 0.106 1.482 365 H GLN 54 H GLN 54 9.045 -2.394 -1.156 366 HA GLN 54 HA GLN 54 10.587 -1.640 -3.527 367 HB2 GLN 54 1HB GLN 54 9.419 -3.142 -4.969 368 HB3 GLN 54 2HB GLN 54 10.045 -4.091 -3.627 369 HG2 GLN 54 1HG GLN 54 7.755 -3.827 -2.568 370 HG3 GLN 54 2HG GLN 54 7.218 -3.232 -4.138 371 HE21 GLN 54 1HE2 GLN 54 5.789 -5.163 -3.798 372 HE22 GLN 54 2HE2 GLN 54 6.357 -6.677 -4.406 373 H ASN 55 H ASN 55 9.854 0.250 -4.211 374 HA ASN 55 HA ASN 55 7.299 1.260 -3.365 375 HB2 ASN 55 1HB ASN 55 8.933 2.643 -5.449 376 HB3 ASN 55 2HB ASN 55 8.027 3.325 -4.101 377 HD21 ASN 55 1HD2 ASN 55 9.046 3.738 -2.234 378 HD22 ASN 55 2HD2 ASN 55 10.709 3.386 -1.925 379 H ILE 56 H ILE 56 5.495 1.648 -4.594 380 HA ILE 56 HA ILE 56 5.531 0.894 -7.419 381 HB ILE 56 HB ILE 56 3.575 -0.272 -5.434 382 HG12 ILE 56 1HG1 ILE 56 5.479 -1.806 -7.188 383 HG13 ILE 56 2HG1 ILE 56 5.978 -1.215 -5.607 384 HG21 ILE 56 1HG2 ILE 56 3.748 -1.005 -8.330 385 HG22 ILE 56 2HG2 ILE 56 2.416 -1.235 -7.199 386 HG23 ILE 56 3HG2 ILE 56 2.788 0.378 -7.808 387 HD11 ILE 56 3HD1 ILE 56 5.102 -3.617 -5.817 388 HD12 ILE 56 1HD1 ILE 56 4.518 -2.619 -4.485 389 HD13 ILE 56 2HD1 ILE 56 3.508 -2.869 -5.910 390 H GLU 57 H GLU 57 4.057 1.971 -8.674 391 HA GLU 57 HA GLU 57 2.513 4.068 -7.305 392 HB2 GLU 57 1HB GLU 57 3.978 3.950 -9.885 393 HB3 GLU 57 2HB GLU 57 2.497 4.897 -9.856 394 HG2 GLU 57 1HG GLU 57 3.538 5.962 -7.726 395 HG3 GLU 57 2HG GLU 57 5.049 5.330 -8.376 396 H VAL 58 H VAL 58 0.440 3.566 -7.078 397 HA VAL 58 HA VAL 58 -0.909 2.138 -9.277 398 HB VAL 58 HB VAL 58 -2.473 1.228 -7.661 399 HG11 VAL 58 1HG1 VAL 58 0.391 0.810 -6.812 400 HG12 VAL 58 2HG1 VAL 58 -0.960 -0.261 -6.435 401 HG13 VAL 58 3HG1 VAL 58 -0.446 -0.043 -8.109 402 HG21 VAL 58 3HG2 VAL 58 -1.373 3.284 -5.973 403 HG22 VAL 58 1HG2 VAL 58 -2.837 2.324 -5.761 404 HG23 VAL 58 2HG2 VAL 58 -1.290 1.714 -5.174 405 H ASP 59 H ASP 59 -2.852 2.902 -10.020 406 HA ASP 59 HA ASP 59 -3.593 5.591 -9.097 407 HB2 ASP 59 1HB ASP 59 -4.697 5.843 -11.285 408 HB3 ASP 59 2HB ASP 59 -2.989 5.447 -11.460 409 H GLY 60 H GLY 60 -6.064 6.011 -9.677 410 HA2 GLY 60 1HA GLY 60 -8.264 5.573 -9.174 411 HA3 GLY 60 2HA GLY 60 -7.883 3.864 -9.322 412 H LEU 61 H LEU 61 -9.229 3.377 -7.548 413 HA LEU 61 HA LEU 61 -8.000 4.014 -4.952 414 HB2 LEU 61 1HB LEU 61 -10.959 3.834 -5.498 415 HB3 LEU 61 2HB LEU 61 -10.204 4.146 -3.936 416 HG LEU 61 HG LEU 61 -10.042 5.986 -6.322 417 HD11 LEU 61 1HD1 LEU 61 -11.733 6.216 -3.837 418 HD12 LEU 61 2HD1 LEU 61 -12.329 5.801 -5.444 419 HD13 LEU 61 3HD1 LEU 61 -11.627 7.391 -5.148 420 HD21 LEU 61 3HD2 LEU 61 -9.188 6.297 -3.447 421 HD22 LEU 61 1HD2 LEU 61 -9.229 7.603 -4.631 422 HD23 LEU 61 2HD2 LEU 61 -8.141 6.235 -4.865 423 H SER 62 H SER 62 -7.568 1.713 -6.583 424 HA SER 62 HA SER 62 -7.905 -0.326 -4.674 425 HB2 SER 62 1HB SER 62 -9.529 -1.760 -5.743 426 HB3 SER 62 2HB SER 62 -10.269 -0.178 -5.495 427 HG SER 62 HG SER 62 -9.544 0.239 -7.744 428 H TYR 63 H TYR 63 -6.223 -1.618 -4.975 429 HA TYR 63 HA TYR 63 -5.391 -2.296 -7.699 430 HB2 TYR 63 1HB TYR 63 -3.986 -0.403 -7.021 431 HB3 TYR 63 2HB TYR 63 -3.515 -1.264 -5.561 432 HD1 TYR 63 2HD TYR 63 -2.085 -3.293 -5.734 433 HD2 TYR 63 1HD TYR 63 -2.939 -0.852 -9.113 434 HE1 TYR 63 2HE TYR 63 -0.197 -4.309 -6.938 435 HE2 TYR 63 1HE TYR 63 -1.054 -1.863 -10.327 436 HH TYR 63 HH TYR 63 0.887 -3.088 -10.024 437 H LYS 64 H LYS 64 -5.258 -4.423 -7.867 438 HA LYS 64 HA LYS 64 -5.030 -6.057 -5.469 439 HB2 LYS 64 1HB LYS 64 -6.664 -6.411 -7.477 440 HB3 LYS 64 2HB LYS 64 -5.273 -7.161 -8.247 441 HG2 LYS 64 1HG LYS 64 -5.163 -8.515 -6.001 442 HG3 LYS 64 2HG LYS 64 -6.869 -8.070 -5.909 443 HD2 LYS 64 1HD LYS 64 -6.953 -8.929 -8.362 444 HD3 LYS 64 2HD LYS 64 -5.455 -9.759 -7.936 445 HE2 LYS 64 1HE LYS 64 -7.056 -11.352 -7.441 446 HE3 LYS 64 2HE LYS 64 -6.799 -10.583 -5.875 447 HZ1 LYS 64 3HZ LYS 64 -8.938 -9.672 -7.698 448 HZ2 LYS 64 1HZ LYS 64 -8.798 -9.432 -6.029 449 HZ3 LYS 64 2HZ LYS 64 -9.184 -10.964 -6.634 450 H LEU 65 H LEU 65 -3.060 -6.528 -4.757 451 HA LEU 65 HA LEU 65 -0.773 -6.519 -6.513 452 HB2 LEU 65 1HB LEU 65 -1.068 -5.894 -3.924 453 HB3 LEU 65 2HB LEU 65 -0.542 -7.567 -3.757 454 HG LEU 65 HG LEU 65 1.408 -6.819 -5.321 455 HD11 LEU 65 1HD1 LEU 65 1.479 -4.677 -5.875 456 HD12 LEU 65 2HD1 LEU 65 1.594 -4.247 -4.169 457 HD13 LEU 65 3HD1 LEU 65 0.014 -4.365 -4.943 458 HD21 LEU 65 3HD2 LEU 65 1.745 -7.576 -3.060 459 HD22 LEU 65 1HD2 LEU 65 1.189 -6.030 -2.419 460 HD23 LEU 65 2HD2 LEU 65 2.699 -6.116 -3.326 461 H GLU 66 H GLU 66 0.509 -8.260 -7.078 462 HA GLU 66 HA GLU 66 -0.299 -10.935 -6.250 463 HB2 GLU 66 1HB GLU 66 -0.045 -10.275 -9.182 464 HB3 GLU 66 2HB GLU 66 -0.606 -11.777 -8.460 465 HG2 GLU 66 1HG GLU 66 -2.598 -10.666 -7.637 466 HG3 GLU 66 2HG GLU 66 -2.031 -9.131 -8.292 467 H GLY 67 H GLY 67 1.272 -12.584 -6.811 468 HA2 GLY 67 1HA GLY 67 3.407 -13.289 -7.547 469 HA3 GLY 67 2HA GLY 67 3.879 -11.604 -7.713 470 H LEU 68 H LEU 68 2.290 -12.781 -4.841 471 HA LEU 68 HA LEU 68 4.728 -12.198 -3.324 472 HB2 LEU 68 1HB LEU 68 1.899 -12.577 -2.354 473 HB3 LEU 68 2HB LEU 68 3.274 -12.073 -1.374 474 HG LEU 68 HG LEU 68 2.603 -10.382 -3.713 475 HD11 LEU 68 1HD1 LEU 68 0.928 -9.176 -2.218 476 HD12 LEU 68 2HD1 LEU 68 0.849 -10.677 -1.296 477 HD13 LEU 68 3HD1 LEU 68 0.390 -10.663 -2.999 478 HD21 LEU 68 3HD2 LEU 68 3.322 -9.740 -0.856 479 HD22 LEU 68 1HD2 LEU 68 3.279 -8.617 -2.215 480 HD23 LEU 68 2HD2 LEU 68 4.480 -9.908 -2.176 481 H LYS 69 H LYS 69 4.395 -13.594 -1.046 482 HA LYS 69 HA LYS 69 4.865 -16.332 -1.938 483 HB2 LYS 69 1HB LYS 69 5.419 -14.900 0.660 484 HB3 LYS 69 2HB LYS 69 5.674 -16.627 0.447 485 HG2 LYS 69 1HG LYS 69 7.239 -16.115 -1.407 486 HG3 LYS 69 2HG LYS 69 7.051 -14.399 -1.036 487 HD2 LYS 69 1HD LYS 69 9.009 -15.040 0.087 488 HD3 LYS 69 2HD LYS 69 7.765 -15.014 1.339 489 HE2 LYS 69 1HE LYS 69 8.884 -17.010 1.742 490 HE3 LYS 69 2HE LYS 69 7.483 -17.518 0.800 491 HZ1 LYS 69 3HZ LYS 69 9.596 -18.538 0.073 492 HZ2 LYS 69 1HZ LYS 69 10.169 -17.005 -0.354 493 HZ3 LYS 69 2HZ LYS 69 8.829 -17.659 -1.152 494 H LYS 70 H LYS 70 3.635 -18.052 -1.377 495 HA LYS 70 HA LYS 70 1.028 -18.089 -1.015 496 HB2 LYS 70 1HB LYS 70 2.833 -20.027 -0.858 497 HB3 LYS 70 2HB LYS 70 2.475 -19.903 0.860 498 HG2 LYS 70 1HG LYS 70 0.367 -20.723 0.624 499 HG3 LYS 70 2HG LYS 70 0.185 -20.091 -1.014 500 HD2 LYS 70 1HD LYS 70 2.039 -22.362 -0.329 501 HD3 LYS 70 2HD LYS 70 0.357 -22.606 -0.805 502 HE2 LYS 70 1HE LYS 70 0.996 -21.128 -2.844 503 HE3 LYS 70 2HE LYS 70 2.652 -21.555 -2.413 504 HZ1 LYS 70 3HZ LYS 70 0.507 -23.251 -3.454 505 HZ2 LYS 70 1HZ LYS 70 1.619 -23.952 -2.389 506 HZ3 LYS 70 2HZ LYS 70 2.156 -23.245 -3.828 507 H PHE 71 H PHE 71 2.962 -18.456 1.953 508 HA PHE 71 HA PHE 71 1.089 -16.641 3.311 509 HB2 PHE 71 1HB PHE 71 0.544 -19.025 3.814 510 HB3 PHE 71 2HB PHE 71 2.158 -19.211 4.492 511 HD1 PHE 71 1HD PHE 71 2.786 -17.543 6.390 512 HD2 PHE 71 2HD PHE 71 -1.201 -18.426 5.191 513 HE1 PHE 71 1HE PHE 71 1.961 -16.760 8.572 514 HE2 PHE 71 2HE PHE 71 -2.033 -17.644 7.371 515 HZ PHE 71 HZ PHE 71 -0.452 -16.809 9.064 516 H THR 72 H THR 72 2.401 -14.918 3.576 517 HA THR 72 HA THR 72 4.639 -15.219 5.403 518 HB THR 72 HB THR 72 5.000 -14.049 2.639 519 HG1 THR 72 1HG THR 72 5.217 -16.415 3.062 520 HG21 THR 72 3HG2 THR 72 6.070 -12.728 4.509 521 HG22 THR 72 1HG2 THR 72 7.177 -13.344 3.283 522 HG23 THR 72 2HG2 THR 72 7.051 -14.155 4.845 523 H GLU 73 H GLU 73 4.473 -13.671 6.877 524 HA GLU 73 HA GLU 73 2.602 -11.618 6.819 525 HB2 GLU 73 1HB GLU 73 3.623 -12.444 8.887 526 HB3 GLU 73 2HB GLU 73 5.170 -11.761 8.407 527 HG2 GLU 73 1HG GLU 73 4.413 -9.561 8.688 528 HG3 GLU 73 2HG GLU 73 2.723 -10.062 8.741 529 H TYR 74 H TYR 74 2.547 -10.102 5.281 530 HA TYR 74 HA TYR 74 5.054 -8.816 4.460 531 HB2 TYR 74 1HB TYR 74 2.375 -9.152 3.162 532 HB3 TYR 74 2HB TYR 74 3.418 -7.822 2.669 533 HD1 TYR 74 2HD TYR 74 5.724 -8.359 1.785 534 HD2 TYR 74 1HD TYR 74 2.749 -11.343 2.377 535 HE1 TYR 74 2HE TYR 74 6.953 -9.873 0.286 536 HE2 TYR 74 1HE TYR 74 3.970 -12.866 0.881 537 HH TYR 74 HH TYR 74 7.144 -12.050 -0.378 538 H SER 75 H SER 75 5.318 -6.594 4.520 539 HA SER 75 HA SER 75 3.312 -5.122 6.102 540 HB2 SER 75 1HB SER 75 5.094 -3.871 7.144 541 HB3 SER 75 2HB SER 75 5.456 -5.588 7.316 542 HG SER 75 HG SER 75 6.550 -4.863 5.060 543 H LEU 76 H LEU 76 2.299 -3.680 4.886 544 HA LEU 76 HA LEU 76 3.789 -2.359 2.717 545 HB2 LEU 76 1HB LEU 76 0.799 -2.470 2.958 546 HB3 LEU 76 2HB LEU 76 1.770 -2.093 1.537 547 HG LEU 76 HG LEU 76 1.389 -4.798 2.814 548 HD11 LEU 76 1HD1 LEU 76 0.531 -5.271 0.457 549 HD12 LEU 76 2HD1 LEU 76 0.444 -3.520 0.269 550 HD13 LEU 76 3HD1 LEU 76 -0.503 -4.319 1.524 551 HD21 LEU 76 3HD2 LEU 76 2.975 -4.216 0.330 552 HD22 LEU 76 1HD2 LEU 76 2.900 -5.710 1.264 553 HD23 LEU 76 2HD2 LEU 76 3.722 -4.297 1.926 554 H ARG 77 H ARG 77 2.881 -0.116 2.197 555 HA ARG 77 HA ARG 77 1.851 1.348 4.474 556 HB2 ARG 77 1HB ARG 77 4.354 1.207 4.787 557 HB3 ARG 77 2HB ARG 77 4.519 2.143 3.307 558 HG2 ARG 77 1HG ARG 77 3.558 4.049 4.271 559 HG3 ARG 77 2HG ARG 77 2.903 3.133 5.629 560 HD2 ARG 77 1HD ARG 77 4.726 4.152 6.599 561 HD3 ARG 77 2HD ARG 77 5.407 2.600 6.114 562 HE ARG 77 HE ARG 77 5.695 4.737 4.185 563 HH11 ARG 77 1HH1 ARG 77 7.106 3.007 6.856 564 HH12 ARG 77 2HH1 ARG 77 8.729 3.479 6.473 565 HH21 ARG 77 1HH2 ARG 77 7.826 5.364 3.670 566 HH22 ARG 77 2HH2 ARG 77 9.137 4.820 4.661 567 H PHE 78 H PHE 78 0.314 2.573 3.627 568 HA PHE 78 HA PHE 78 0.686 3.642 0.912 569 HB2 PHE 78 1HB PHE 78 -1.352 2.128 1.702 570 HB3 PHE 78 2HB PHE 78 -1.979 3.679 2.250 571 HD1 PHE 78 1HD PHE 78 -0.557 2.005 -0.751 572 HD2 PHE 78 2HD PHE 78 -3.111 5.050 0.772 573 HE1 PHE 78 1HE PHE 78 -1.334 2.490 -3.034 574 HE2 PHE 78 2HE PHE 78 -3.893 5.539 -1.509 575 HZ PHE 78 HZ PHE 78 -3.005 4.258 -3.416 576 H LEU 79 H LEU 79 0.327 5.808 0.478 577 HA LEU 79 HA LEU 79 -0.526 7.626 2.539 578 HB2 LEU 79 1HB LEU 79 1.479 8.869 2.769 579 HB3 LEU 79 2HB LEU 79 1.872 7.178 3.072 580 HG LEU 79 HG LEU 79 2.613 7.171 0.582 581 HD11 LEU 79 1HD1 LEU 79 1.741 9.808 0.779 582 HD12 LEU 79 2HD1 LEU 79 2.674 9.089 -0.533 583 HD13 LEU 79 3HD1 LEU 79 3.502 9.905 0.794 584 HD21 LEU 79 3HD2 LEU 79 4.846 7.751 1.234 585 HD22 LEU 79 1HD2 LEU 79 4.065 6.932 2.587 586 HD23 LEU 79 2HD2 LEU 79 4.253 8.686 2.608 587 H ALA 80 H ALA 80 -0.790 9.803 1.764 588 HA ALA 80 HA ALA 80 -1.247 9.872 -1.122 589 HB1 ALA 80 3HB ALA 80 -2.763 10.730 1.016 590 HB2 ALA 80 1HB ALA 80 -2.092 12.224 0.361 591 HB3 ALA 80 2HB ALA 80 -3.023 11.145 -0.678 592 H TYR 81 H TYR 81 -0.424 11.468 -2.468 593 HA TYR 81 HA TYR 81 1.453 13.407 -1.373 594 HB2 TYR 81 1HB TYR 81 3.296 12.730 -2.753 595 HB3 TYR 81 2HB TYR 81 2.755 11.317 -1.853 596 HD1 TYR 81 1HD TYR 81 2.245 12.998 -5.150 597 HD2 TYR 81 2HD TYR 81 2.412 9.333 -2.995 598 HE1 TYR 81 1HE TYR 81 2.008 11.754 -7.258 599 HE2 TYR 81 2HE TYR 81 2.176 8.079 -5.097 600 HH TYR 81 HH TYR 81 1.335 9.606 -8.063 601 H ASN 82 H ASN 82 1.454 15.278 -2.479 602 HA ASN 82 HA ASN 82 0.095 15.316 -5.094 603 HB2 ASN 82 1HB ASN 82 -0.423 17.782 -4.334 604 HB3 ASN 82 2HB ASN 82 -1.434 16.449 -3.782 605 HD21 ASN 82 1HD2 ASN 82 1.681 17.850 -2.805 606 HD22 ASN 82 2HD2 ASN 82 1.279 17.999 -1.132 607 H ARG 83 H ARG 83 0.579 17.650 -6.116 608 HA ARG 83 HA ARG 83 3.030 17.671 -7.213 609 HB2 ARG 83 1HB ARG 83 2.797 20.154 -7.487 610 HB3 ARG 83 2HB ARG 83 1.383 19.229 -7.974 611 HG2 ARG 83 1HG ARG 83 0.443 19.726 -5.672 612 HG3 ARG 83 2HG ARG 83 1.752 20.898 -5.509 613 HD2 ARG 83 1HD ARG 83 0.867 21.711 -7.850 614 HD3 ARG 83 2HD ARG 83 -0.618 20.926 -7.314 615 HE ARG 83 HE ARG 83 -0.143 22.437 -5.217 616 HH11 ARG 83 1HH1 ARG 83 0.194 23.230 -8.590 617 HH12 ARG 83 2HH1 ARG 83 -0.144 24.914 -8.361 618 HH21 ARG 83 1HH2 ARG 83 -0.588 24.652 -4.903 619 HH22 ARG 83 2HH2 ARG 83 -0.587 25.722 -6.264 620 H TYR 84 H TYR 84 2.207 19.078 -4.080 621 HA TYR 84 HA TYR 84 4.690 20.299 -3.565 622 HB2 TYR 84 1HB TYR 84 2.805 19.164 -1.495 623 HB3 TYR 84 2HB TYR 84 3.965 20.472 -1.282 624 HD1 TYR 84 1HD TYR 84 3.527 22.261 -3.461 625 HD2 TYR 84 2HD TYR 84 0.659 19.984 -1.296 626 HE1 TYR 84 1HE TYR 84 1.791 23.901 -4.048 627 HE2 TYR 84 2HE TYR 84 -1.085 21.617 -1.878 628 HH TYR 84 HH TYR 84 -1.578 23.333 -3.370 629 H GLY 85 H GLY 85 3.399 17.219 -2.294 630 HA2 GLY 85 1HA GLY 85 5.521 15.578 -2.772 631 HA3 GLY 85 2HA GLY 85 5.983 16.427 -1.305 632 HA PRO 86 HA PRO 86 3.360 12.637 -0.340 633 HB2 PRO 86 1HB PRO 86 5.254 11.304 1.077 634 HB3 PRO 86 2HB PRO 86 5.058 11.124 -0.670 635 HG2 PRO 86 1HG PRO 86 7.020 12.794 0.852 636 HG3 PRO 86 2HG PRO 86 7.286 11.782 -0.579 637 HD2 PRO 86 1HD PRO 86 7.005 14.471 -0.728 638 HD3 PRO 86 2HD PRO 86 6.459 13.381 -2.019 639 H GLY 87 H GLY 87 2.045 13.042 1.318 640 HA2 GLY 87 1HA GLY 87 2.951 14.634 3.564 641 HA3 GLY 87 2HA GLY 87 1.308 14.086 3.266 642 H VAL 88 H VAL 88 0.858 13.244 5.250 643 HA VAL 88 HA VAL 88 2.651 11.614 6.728 644 HB VAL 88 HB VAL 88 -0.351 11.851 6.978 645 HG11 VAL 88 1HG1 VAL 88 1.702 10.370 8.507 646 HG12 VAL 88 2HG1 VAL 88 0.471 11.219 9.443 647 HG13 VAL 88 3HG1 VAL 88 -0.005 10.009 8.252 648 HG21 VAL 88 3HG2 VAL 88 1.380 13.141 8.962 649 HG22 VAL 88 1HG2 VAL 88 1.476 13.834 7.343 650 HG23 VAL 88 2HG2 VAL 88 -0.079 13.736 8.170 651 H SER 89 H SER 89 2.675 9.392 7.045 652 HA SER 89 HA SER 89 1.384 7.838 4.906 653 HB2 SER 89 1HB SER 89 3.169 6.255 5.083 654 HB3 SER 89 2HB SER 89 3.912 7.854 5.057 655 HG SER 89 HG SER 89 4.852 6.703 6.708 656 H THR 90 H THR 90 0.178 6.045 5.368 657 HA THR 90 HA THR 90 -1.028 5.911 7.944 658 HB THR 90 HB THR 90 -2.316 4.038 7.071 659 HG1 THR 90 1HG THR 90 -0.428 3.193 5.835 660 HG21 THR 90 3HG2 THR 90 -2.934 5.218 4.759 661 HG22 THR 90 1HG2 THR 90 -1.968 6.511 5.468 662 HG23 THR 90 2HG2 THR 90 -3.388 5.903 6.319 663 H ASP 91 H ASP 91 -0.896 4.315 9.511 664 HA ASP 91 HA ASP 91 1.577 3.251 10.116 665 HB2 ASP 91 1HB ASP 91 -1.202 2.500 10.988 666 HB3 ASP 91 2HB ASP 91 0.204 1.624 11.587 667 H ASP 92 H ASP 92 2.713 1.527 9.491 668 HA ASP 92 HA ASP 92 2.443 0.114 7.250 669 HB2 ASP 92 1HB ASP 92 4.189 -0.067 9.237 670 HB3 ASP 92 2HB ASP 92 3.252 -1.508 9.623 671 H ILE 93 H ILE 93 1.043 -1.247 6.356 672 HA ILE 93 HA ILE 93 -1.067 -2.388 8.029 673 HB ILE 93 HB ILE 93 -0.858 -2.265 5.018 674 HG12 ILE 93 1HG1 ILE 93 -2.690 -0.662 6.798 675 HG13 ILE 93 2HG1 ILE 93 -1.108 -0.071 6.304 676 HG21 ILE 93 1HG2 ILE 93 -2.292 -4.023 5.351 677 HG22 ILE 93 2HG2 ILE 93 -2.880 -3.393 6.889 678 HG23 ILE 93 3HG2 ILE 93 -3.425 -2.672 5.375 679 HD11 ILE 93 3HD1 ILE 93 -2.192 0.821 4.579 680 HD12 ILE 93 1HD1 ILE 93 -2.218 -0.816 3.923 681 HD13 ILE 93 2HD1 ILE 93 -3.608 -0.203 4.821 682 H THR 94 H THR 94 -0.321 -4.234 8.935 683 HA THR 94 HA THR 94 1.258 -6.128 7.435 684 HB THR 94 HB THR 94 0.015 -6.550 10.154 685 HG1 THR 94 1HG THR 94 2.430 -5.927 10.611 686 HG21 THR 94 3HG2 THR 94 0.881 -8.569 9.108 687 HG22 THR 94 1HG2 THR 94 1.916 -8.091 10.453 688 HG23 THR 94 2HG2 THR 94 2.421 -7.769 8.794 689 H VAL 95 H VAL 95 0.374 -7.494 6.039 690 HA VAL 95 HA VAL 95 -2.192 -8.753 6.728 691 HB VAL 95 HB VAL 95 -1.441 -7.702 3.997 692 HG11 VAL 95 1HG1 VAL 95 -3.735 -9.396 4.943 693 HG12 VAL 95 2HG1 VAL 95 -3.825 -8.429 3.470 694 HG13 VAL 95 3HG1 VAL 95 -2.614 -9.703 3.617 695 HG21 VAL 95 3HG2 VAL 95 -3.928 -6.867 5.355 696 HG22 VAL 95 1HG2 VAL 95 -2.420 -6.240 6.022 697 HG23 VAL 95 2HG2 VAL 95 -2.828 -5.944 4.331 698 H VAL 96 H VAL 96 -1.615 -10.801 7.115 699 HA VAL 96 HA VAL 96 0.549 -12.093 5.749 700 HB VAL 96 HB VAL 96 -1.561 -13.319 7.531 701 HG11 VAL 96 1HG1 VAL 96 0.531 -14.899 7.882 702 HG12 VAL 96 2HG1 VAL 96 -0.614 -15.158 6.564 703 HG13 VAL 96 3HG1 VAL 96 0.920 -14.342 6.254 704 HG21 VAL 96 3HG2 VAL 96 -0.584 -12.258 9.222 705 HG22 VAL 96 1HG2 VAL 96 0.911 -13.120 8.858 706 HG23 VAL 96 2HG2 VAL 96 0.604 -11.541 8.134 707 H THR 97 H THR 97 0.445 -12.985 3.807 708 HA THR 97 HA THR 97 -1.836 -13.180 2.235 709 HB THR 97 HB THR 97 -0.442 -14.898 0.901 710 HG1 THR 97 1HG THR 97 1.497 -15.379 1.653 711 HG21 THR 97 3HG2 THR 97 1.256 -13.007 0.325 712 HG22 THR 97 1HG2 THR 97 0.285 -12.044 1.438 713 HG23 THR 97 2HG2 THR 97 -0.461 -12.758 0.008 714 H LEU 98 H LEU 98 -3.041 -14.997 1.489 715 HA LEU 98 HA LEU 98 -3.972 -16.693 3.512 716 HB2 LEU 98 1HB LEU 98 -4.212 -17.225 0.562 717 HB3 LEU 98 2HB LEU 98 -5.304 -17.741 1.844 718 HG LEU 98 HG LEU 98 -4.941 -14.950 0.766 719 HD11 LEU 98 1HD1 LEU 98 -7.318 -15.188 0.194 720 HD12 LEU 98 2HD1 LEU 98 -7.280 -16.853 0.773 721 HD13 LEU 98 3HD1 LEU 98 -6.312 -16.383 -0.624 722 HD21 LEU 98 3HD2 LEU 98 -5.724 -15.778 3.382 723 HD22 LEU 98 1HD2 LEU 98 -7.125 -15.105 2.547 724 HD23 LEU 98 2HD2 LEU 98 -5.651 -14.149 2.708 725 H SER 99 H SER 99 -4.180 -19.218 2.683 726 HA SER 99 HA SER 99 -1.485 -20.206 2.105 727 HB2 SER 99 1HB SER 99 -1.463 -20.266 4.481 728 HB3 SER 99 2HB SER 99 -3.117 -20.876 4.555 729 HG SER 99 HG SER 99 -0.741 -22.223 4.076 730 H ASP 100 H ASP 100 -1.776 -21.379 0.330 731 HA ASP 100 HA ASP 100 -4.107 -22.440 -0.660 732 HB2 ASP 100 1HB ASP 100 -2.820 -23.493 -2.260 733 HB3 ASP 100 2HB ASP 100 -1.676 -22.293 -1.664 734 H SER 101 H SER 101 -5.192 -24.371 -0.523 735 HA SER 101 HA SER 101 -4.295 -26.224 1.587 736 HB2 SER 101 1HB SER 101 -6.704 -26.627 2.089 737 HB3 SER 101 2HB SER 101 -6.201 -24.968 2.413 738 HG SER 101 HG SER 101 -7.642 -25.927 0.166 739 H GLY 102 H GLY 102 -3.387 -27.739 0.236 740 HA2 GLY 102 1HA GLY 102 -5.263 -29.455 -1.148 741 HA3 GLY 102 2HA GLY 102 -4.096 -28.662 -2.196 742 HA PRO 103 HA PRO 103 -1.144 -31.798 -1.409 743 HB2 PRO 103 1HB PRO 103 1.187 -30.408 -1.355 744 HB3 PRO 103 2HB PRO 103 0.273 -30.693 -2.841 745 HG2 PRO 103 1HG PRO 103 0.346 -28.259 -1.099 746 HG3 PRO 103 2HG PRO 103 0.378 -28.370 -2.869 747 HD2 PRO 103 1HD PRO 103 -1.870 -27.765 -1.488 748 HD3 PRO 103 2HD PRO 103 -1.903 -28.666 -3.017 749 H SER 104 H SER 104 -0.280 -32.876 0.284 750 HA SER 104 HA SER 104 0.127 -31.371 2.786 751 HB2 SER 104 1HB SER 104 -0.471 -33.538 3.940 752 HB3 SER 104 2HB SER 104 -1.797 -32.774 3.064 753 HG SER 104 HG SER 104 -1.960 -34.603 2.060 754 H SER 105 H SER 105 2.309 -31.073 2.702 755 HA SER 105 HA SER 105 4.178 -32.992 1.822 756 HB2 SER 105 1HB SER 105 4.433 -30.415 2.218 757 HB3 SER 105 2HB SER 105 4.901 -30.900 3.848 758 HG SER 105 HG SER 105 6.308 -32.457 2.438 759 H GLY 106 H GLY 106 3.507 -34.934 2.886 760 HA2 GLY 106 1HA GLY 106 5.017 -35.554 5.181 761 HA3 GLY 106 2HA GLY 106 3.349 -35.278 5.661 Start of MODEL 17 1 H1 GLY 1 H GLY 1 14.050 25.914 8.154 2 HA2 GLY 1 1HA GLY 1 15.298 26.598 5.760 3 HA3 GLY 1 2HA GLY 1 15.207 24.843 5.802 4 H SER 2 H SER 2 13.560 27.716 5.102 5 HA SER 2 HA SER 2 10.972 26.324 4.997 6 HB2 SER 2 1HB SER 2 11.738 29.210 5.264 7 HB3 SER 2 2HB SER 2 10.172 28.788 4.572 8 HG SER 2 HG SER 2 9.520 28.494 6.535 9 H SER 3 H SER 3 11.223 25.223 3.066 10 HA SER 3 HA SER 3 12.065 26.581 0.670 11 HB2 SER 3 1HB SER 3 12.393 24.086 1.250 12 HB3 SER 3 2HB SER 3 10.715 23.890 0.746 13 HG SER 3 HG SER 3 11.782 25.269 -1.156 14 H GLY 4 H GLY 4 9.010 25.269 1.923 15 HA2 GLY 4 1HA GLY 4 7.009 26.653 1.563 16 HA3 GLY 4 2HA GLY 4 7.608 26.951 -0.062 17 H SER 5 H SER 5 7.437 23.900 1.737 18 HA SER 5 HA SER 5 5.518 22.918 -0.269 19 HB2 SER 5 1HB SER 5 6.671 20.865 -0.488 20 HB3 SER 5 2HB SER 5 7.933 22.096 -0.546 21 HG SER 5 HG SER 5 7.621 21.490 1.984 22 H SER 6 H SER 6 4.452 20.832 0.487 23 HA SER 6 HA SER 6 4.213 20.528 3.358 24 HB2 SER 6 1HB SER 6 1.921 21.534 1.662 25 HB3 SER 6 2HB SER 6 1.705 20.828 3.264 26 HG SER 6 HG SER 6 3.470 22.988 2.816 27 H GLY 7 H GLY 7 2.138 18.939 3.671 28 HA2 GLY 7 1HA GLY 7 2.303 16.865 1.586 29 HA3 GLY 7 2HA GLY 7 2.613 16.447 3.264 30 HA PRO 8 HA PRO 8 -2.073 16.722 2.085 31 HB2 PRO 8 1HB PRO 8 -2.524 14.349 0.846 32 HB3 PRO 8 2HB PRO 8 -2.128 15.831 -0.032 33 HG2 PRO 8 1HG PRO 8 -0.346 13.553 0.740 34 HG3 PRO 8 2HG PRO 8 -0.425 14.442 -0.792 35 HD2 PRO 8 1HD PRO 8 1.471 14.929 1.078 36 HD3 PRO 8 2HD PRO 8 0.828 16.199 0.018 37 H GLY 9 H GLY 9 -3.460 15.982 3.602 38 HA2 GLY 9 1HA GLY 9 -2.598 14.502 5.793 39 HA3 GLY 9 2HA GLY 9 -4.282 14.777 5.374 40 HA PRO 10 HA PRO 10 -3.091 10.225 4.975 41 HB2 PRO 10 1HB PRO 10 -4.671 9.295 6.977 42 HB3 PRO 10 2HB PRO 10 -3.000 9.809 7.233 43 HG2 PRO 10 1HG PRO 10 -5.541 11.306 7.744 44 HG3 PRO 10 2HG PRO 10 -4.087 11.194 8.752 45 HD2 PRO 10 1HD PRO 10 -4.605 13.334 7.175 46 HD3 PRO 10 2HD PRO 10 -2.954 12.775 7.515 47 H VAL 11 H VAL 11 -4.337 8.758 3.874 48 HA VAL 11 HA VAL 11 -6.728 9.693 2.661 49 HB VAL 11 HB VAL 11 -6.853 7.477 1.610 50 HG11 VAL 11 1HG1 VAL 11 -5.416 9.153 0.611 51 HG12 VAL 11 2HG1 VAL 11 -4.080 8.665 1.656 52 HG13 VAL 11 3HG1 VAL 11 -4.694 7.554 0.430 53 HG21 VAL 11 3HG2 VAL 11 -6.004 6.282 3.686 54 HG22 VAL 11 1HG2 VAL 11 -5.397 5.700 2.136 55 HG23 VAL 11 2HG2 VAL 11 -4.382 6.725 3.151 56 H GLU 12 H GLU 12 -8.590 7.884 2.525 57 HA GLU 12 HA GLU 12 -9.317 7.184 5.292 58 HB2 GLU 12 1HB GLU 12 -11.247 8.188 3.196 59 HB3 GLU 12 2HB GLU 12 -11.597 7.851 4.886 60 HG2 GLU 12 1HG GLU 12 -9.497 9.854 4.285 61 HG3 GLU 12 2HG GLU 12 -11.176 10.301 3.993 62 H ASN 13 H ASN 13 -11.428 5.719 5.143 63 HA ASN 13 HA ASN 13 -11.862 3.461 4.857 64 HB2 ASN 13 1HB ASN 13 -12.264 4.802 2.191 65 HB3 ASN 13 2HB ASN 13 -12.680 3.108 2.437 66 HD21 ASN 13 1HD2 ASN 13 -13.657 6.323 2.811 67 HD22 ASN 13 2HD2 ASN 13 -15.114 6.034 3.693 68 H LEU 14 H LEU 14 -9.119 3.732 4.932 69 HA LEU 14 HA LEU 14 -8.019 2.306 2.648 70 HB2 LEU 14 1HB LEU 14 -6.672 4.076 3.499 71 HB3 LEU 14 2HB LEU 14 -6.791 3.454 5.144 72 HG LEU 14 HG LEU 14 -5.575 1.368 4.029 73 HD11 LEU 14 1HD1 LEU 14 -3.882 2.184 2.421 74 HD12 LEU 14 2HD1 LEU 14 -4.749 3.717 2.332 75 HD13 LEU 14 3HD1 LEU 14 -5.526 2.232 1.785 76 HD21 LEU 14 3HD2 LEU 14 -4.829 3.583 5.620 77 HD22 LEU 14 1HD2 LEU 14 -3.522 3.294 4.471 78 HD23 LEU 14 2HD2 LEU 14 -4.068 1.993 5.531 79 H GLN 15 H GLN 15 -8.074 0.168 2.564 80 HA GLN 15 HA GLN 15 -7.476 -1.392 4.946 81 HB2 GLN 15 1HB GLN 15 -10.093 -1.447 3.497 82 HB3 GLN 15 2HB GLN 15 -9.469 -2.934 4.199 83 HG2 GLN 15 1HG GLN 15 -9.553 -0.510 5.909 84 HG3 GLN 15 2HG GLN 15 -11.072 -1.323 5.534 85 HE21 GLN 15 1HE2 GLN 15 -8.446 -1.230 7.582 86 HE22 GLN 15 2HE2 GLN 15 -8.646 -2.766 8.345 87 H ALA 16 H ALA 16 -6.371 -3.231 4.509 88 HA ALA 16 HA ALA 16 -6.142 -4.044 1.687 89 HB1 ALA 16 3HB ALA 16 -4.088 -3.067 1.929 90 HB2 ALA 16 1HB ALA 16 -4.000 -3.420 3.655 91 HB3 ALA 16 2HB ALA 16 -3.717 -4.702 2.476 92 H VAL 17 H VAL 17 -6.496 -6.137 1.315 93 HA VAL 17 HA VAL 17 -5.938 -8.133 3.346 94 HB VAL 17 HB VAL 17 -8.229 -7.425 3.899 95 HG11 VAL 17 1HG1 VAL 17 -9.005 -6.641 1.771 96 HG12 VAL 17 2HG1 VAL 17 -8.825 -8.246 1.060 97 HG13 VAL 17 3HG1 VAL 17 -10.055 -7.959 2.292 98 HG21 VAL 17 3HG2 VAL 17 -9.169 -9.593 4.061 99 HG22 VAL 17 1HG2 VAL 17 -8.299 -10.153 2.632 100 HG23 VAL 17 2HG2 VAL 17 -7.420 -9.809 4.121 101 H SER 18 H SER 18 -5.580 -10.158 2.513 102 HA SER 18 HA SER 18 -5.391 -10.299 -0.397 103 HB2 SER 18 1HB SER 18 -3.399 -10.890 0.921 104 HB3 SER 18 2HB SER 18 -4.308 -12.168 1.726 105 HG SER 18 HG SER 18 -3.266 -12.069 -0.847 106 H THR 19 H THR 19 -6.605 -11.599 -1.639 107 HA THR 19 HA THR 19 -8.603 -13.281 -0.281 108 HB THR 19 HB THR 19 -10.105 -12.919 -2.036 109 HG1 THR 19 1HG THR 19 -9.442 -12.066 -4.057 110 HG21 THR 19 3HG2 THR 19 -9.967 -10.406 -2.505 111 HG22 THR 19 1HG2 THR 19 -8.510 -10.424 -1.512 112 HG23 THR 19 2HG2 THR 19 -10.057 -10.908 -0.817 113 H SER 20 H SER 20 -5.747 -13.501 -1.925 114 HA SER 20 HA SER 20 -6.338 -16.263 -2.731 115 HB2 SER 20 1HB SER 20 -5.471 -14.060 -4.448 116 HB3 SER 20 2HB SER 20 -4.408 -15.464 -4.545 117 HG SER 20 HG SER 20 -6.692 -15.160 -5.753 118 HA PRO 21 HA PRO 21 -2.653 -17.827 -0.947 119 HB2 PRO 21 1HB PRO 21 -1.413 -18.110 -3.645 120 HB3 PRO 21 2HB PRO 21 -1.583 -19.305 -2.354 121 HG2 PRO 21 1HG PRO 21 -3.168 -19.348 -4.514 122 HG3 PRO 21 2HG PRO 21 -3.773 -19.789 -2.907 123 HD2 PRO 21 1HD PRO 21 -4.266 -17.359 -4.513 124 HD3 PRO 21 2HD PRO 21 -5.294 -18.153 -3.302 125 H THR 22 H THR 22 -1.832 -15.789 -3.757 126 HA THR 22 HA THR 22 0.011 -14.283 -2.033 127 HB THR 22 HB THR 22 1.736 -14.227 -3.673 128 HG1 THR 22 1HG THR 22 0.159 -15.826 -5.413 129 HG21 THR 22 3HG2 THR 22 2.342 -16.585 -3.905 130 HG22 THR 22 1HG2 THR 22 0.689 -17.057 -3.513 131 HG23 THR 22 2HG2 THR 22 1.689 -16.258 -2.299 132 H SER 23 H SER 23 -1.454 -12.581 -1.906 133 HA SER 23 HA SER 23 -1.343 -10.699 -4.039 134 HB2 SER 23 1HB SER 23 -3.096 -11.977 -5.048 135 HB3 SER 23 2HB SER 23 -3.964 -12.110 -3.519 136 HG SER 23 HG SER 23 -4.931 -10.337 -4.054 137 H ILE 24 H ILE 24 -3.001 -8.823 -3.502 138 HA ILE 24 HA ILE 24 -3.662 -8.506 -0.733 139 HB ILE 24 HB ILE 24 -1.349 -6.919 -1.849 140 HG12 ILE 24 1HG1 ILE 24 -1.622 -8.939 0.372 141 HG13 ILE 24 2HG1 ILE 24 -0.549 -8.995 -1.022 142 HG21 ILE 24 1HG2 ILE 24 -1.376 -5.824 0.415 143 HG22 ILE 24 2HG2 ILE 24 -2.706 -5.383 -0.654 144 HG23 ILE 24 3HG2 ILE 24 -2.972 -6.534 0.655 145 HD11 ILE 24 3HD1 ILE 24 0.801 -8.475 0.826 146 HD12 ILE 24 1HD1 ILE 24 0.593 -6.962 -0.055 147 HD13 ILE 24 2HD1 ILE 24 -0.335 -7.262 1.415 148 H LEU 25 H LEU 25 -5.644 -7.723 -1.129 149 HA LEU 25 HA LEU 25 -6.109 -5.796 -3.236 150 HB2 LEU 25 1HB LEU 25 -7.677 -7.678 -2.585 151 HB3 LEU 25 2HB LEU 25 -8.071 -6.725 -1.155 152 HG LEU 25 HG LEU 25 -8.943 -4.941 -2.582 153 HD11 LEU 25 1HD1 LEU 25 -7.486 -6.305 -4.597 154 HD12 LEU 25 2HD1 LEU 25 -8.367 -4.783 -4.714 155 HD13 LEU 25 3HD1 LEU 25 -9.189 -6.305 -5.056 156 HD21 LEU 25 3HD2 LEU 25 -10.009 -7.711 -2.717 157 HD22 LEU 25 1HD2 LEU 25 -10.766 -6.478 -3.726 158 HD23 LEU 25 2HD2 LEU 25 -10.698 -6.265 -1.977 159 H ILE 26 H ILE 26 -5.338 -3.810 -2.801 160 HA ILE 26 HA ILE 26 -5.768 -2.654 -0.146 161 HB ILE 26 HB ILE 26 -4.236 -1.426 -2.435 162 HG12 ILE 26 1HG1 ILE 26 -2.860 -2.778 -0.157 163 HG13 ILE 26 2HG1 ILE 26 -3.506 -3.783 -1.450 164 HG21 ILE 26 1HG2 ILE 26 -4.803 0.190 -0.786 165 HG22 ILE 26 2HG2 ILE 26 -4.347 -0.896 0.525 166 HG23 ILE 26 3HG2 ILE 26 -3.108 -0.228 -0.537 167 HD11 ILE 26 3HD1 ILE 26 -1.042 -2.550 -1.395 168 HD12 ILE 26 1HD1 ILE 26 -1.830 -3.259 -2.804 169 HD13 ILE 26 2HD1 ILE 26 -1.999 -1.535 -2.474 170 H THR 27 H THR 27 -7.690 -1.715 0.095 171 HA THR 27 HA THR 27 -8.784 -0.142 -2.140 172 HB THR 27 HB THR 27 -10.976 -0.365 -1.076 173 HG1 THR 27 1HG THR 27 -11.127 -1.819 0.753 174 HG21 THR 27 3HG2 THR 27 -9.582 -2.355 -2.387 175 HG22 THR 27 1HG2 THR 27 -11.320 -2.334 -2.087 176 HG23 THR 27 2HG2 THR 27 -10.244 -3.183 -0.977 177 H TRP 28 H TRP 28 -7.991 1.879 -1.865 178 HA TRP 28 HA TRP 28 -8.341 3.129 0.779 179 HB2 TRP 28 1HB TRP 28 -6.569 4.671 0.188 180 HB3 TRP 28 2HB TRP 28 -6.002 3.021 -0.057 181 HD1 TRP 28 HD TRP 28 -6.410 6.282 -1.829 182 HE1 TRP 28 1HE TRP 28 -5.721 6.034 -4.296 183 HE3 TRP 28 3HE TRP 28 -6.109 1.185 -2.079 184 HZ2 TRP 28 2HZ TRP 28 -5.129 3.953 -6.109 185 HZ3 TRP 28 3HZ TRP 28 -5.475 0.144 -4.217 186 HH2 TRP 28 HH TRP 28 -4.996 1.502 -6.189 187 H GLU 29 H GLU 29 -8.726 5.547 0.649 188 HA GLU 29 HA GLU 29 -10.384 6.272 -1.662 189 HB2 GLU 29 1HB GLU 29 -11.198 6.177 1.212 190 HB3 GLU 29 2HB GLU 29 -11.872 7.431 0.181 191 HG2 GLU 29 1HG GLU 29 -13.301 5.430 0.364 192 HG3 GLU 29 2HG GLU 29 -12.821 5.799 -1.291 193 HA PRO 30 HA PRO 30 -8.443 10.201 -1.491 194 HB2 PRO 30 1HB PRO 30 -10.466 11.880 -2.171 195 HB3 PRO 30 2HB PRO 30 -9.691 10.790 -3.328 196 HG2 PRO 30 1HG PRO 30 -12.271 10.457 -1.846 197 HG3 PRO 30 2HG PRO 30 -11.903 10.107 -3.545 198 HD2 PRO 30 1HD PRO 30 -12.003 8.177 -1.648 199 HD3 PRO 30 2HD PRO 30 -10.911 8.087 -3.044 200 HA PRO 31 HA PRO 31 -9.273 11.606 2.665 201 HB2 PRO 31 1HB PRO 31 -7.227 13.387 2.771 202 HB3 PRO 31 2HB PRO 31 -6.993 11.643 2.943 203 HG2 PRO 31 1HG PRO 31 -6.596 13.379 0.537 204 HG3 PRO 31 2HG PRO 31 -5.573 12.067 1.152 205 HD2 PRO 31 1HD PRO 31 -7.286 11.730 -0.918 206 HD3 PRO 31 2HD PRO 31 -6.901 10.427 0.225 207 H ALA 32 H ALA 32 -10.402 13.280 3.524 208 HA ALA 32 HA ALA 32 -11.328 15.340 1.702 209 HB1 ALA 32 3HB ALA 32 -12.830 14.038 3.271 210 HB2 ALA 32 1HB ALA 32 -12.137 14.998 4.578 211 HB3 ALA 32 2HB ALA 32 -13.026 15.790 3.277 212 H TYR 33 H TYR 33 -9.645 15.150 4.823 213 HA TYR 33 HA TYR 33 -9.189 18.016 4.837 214 HB2 TYR 33 1HB TYR 33 -7.857 17.376 6.961 215 HB3 TYR 33 2HB TYR 33 -9.609 17.211 6.991 216 HD1 TYR 33 2HD TYR 33 -6.718 15.096 5.898 217 HD2 TYR 33 1HD TYR 33 -10.352 15.339 8.097 218 HE1 TYR 33 2HE TYR 33 -6.479 12.734 6.543 219 HE2 TYR 33 1HE TYR 33 -10.122 12.979 8.750 220 HH TYR 33 HH TYR 33 -8.268 10.836 7.276 221 H ALA 34 H ALA 34 -8.051 16.834 2.613 222 HA ALA 34 HA ALA 34 -5.212 16.480 3.167 223 HB1 ALA 34 3HB ALA 34 -4.996 15.643 1.008 224 HB2 ALA 34 1HB ALA 34 -6.601 15.098 1.495 225 HB3 ALA 34 2HB ALA 34 -6.429 16.492 0.429 226 H ASN 35 H ASN 35 -3.692 17.607 1.560 227 HA ASN 35 HA ASN 35 -4.358 20.464 1.586 228 HB2 ASN 35 1HB ASN 35 -1.769 18.940 1.622 229 HB3 ASN 35 2HB ASN 35 -1.802 20.629 1.122 230 HD21 ASN 35 1HD2 ASN 35 -0.294 20.351 3.145 231 HD22 ASN 35 2HD2 ASN 35 -1.041 20.773 4.645 232 H GLY 36 H GLY 36 -5.454 20.820 -0.296 233 HA2 GLY 36 1HA GLY 36 -5.609 21.367 -2.531 234 HA3 GLY 36 2HA GLY 36 -3.910 20.951 -2.701 235 HA PRO 37 HA PRO 37 -6.261 17.804 -5.091 236 HB2 PRO 37 1HB PRO 37 -4.441 17.661 -7.101 237 HB3 PRO 37 2HB PRO 37 -5.725 18.875 -7.053 238 HG2 PRO 37 1HG PRO 37 -2.845 19.133 -6.278 239 HG3 PRO 37 2HG PRO 37 -3.863 20.260 -7.193 240 HD2 PRO 37 1HD PRO 37 -3.311 20.600 -4.564 241 HD3 PRO 37 2HD PRO 37 -4.848 21.111 -5.291 242 H VAL 38 H VAL 38 -5.310 15.713 -6.092 243 HA VAL 38 HA VAL 38 -3.064 14.732 -4.463 244 HB VAL 38 HB VAL 38 -5.695 13.323 -4.922 245 HG11 VAL 38 1HG1 VAL 38 -4.515 11.428 -4.906 246 HG12 VAL 38 2HG1 VAL 38 -3.034 12.259 -4.428 247 HG13 VAL 38 3HG1 VAL 38 -4.203 11.765 -3.204 248 HG21 VAL 38 3HG2 VAL 38 -5.706 13.257 -2.424 249 HG22 VAL 38 1HG2 VAL 38 -4.294 14.313 -2.444 250 HG23 VAL 38 2HG2 VAL 38 -5.827 14.878 -3.107 251 H GLN 39 H GLN 39 -1.632 14.778 -6.177 252 HA GLN 39 HA GLN 39 -1.955 14.112 -8.787 253 HB2 GLN 39 1HB GLN 39 0.389 13.409 -7.014 254 HB3 GLN 39 2HB GLN 39 0.421 13.351 -8.771 255 HG2 GLN 39 1HG GLN 39 -0.204 15.841 -7.210 256 HG3 GLN 39 2HG GLN 39 1.419 15.399 -7.735 257 HE21 GLN 39 1HE2 GLN 39 1.624 17.196 -9.048 258 HE22 GLN 39 2HE2 GLN 39 0.762 17.362 -10.536 259 H GLY 40 H GLY 40 -1.549 11.861 -6.091 260 HA2 GLY 40 1HA GLY 40 -3.058 9.813 -7.211 261 HA3 GLY 40 2HA GLY 40 -1.389 9.512 -7.673 262 H TYR 41 H TYR 41 -0.978 7.725 -6.466 263 HA TYR 41 HA TYR 41 -0.700 8.143 -3.602 264 HB2 TYR 41 1HB TYR 41 -2.210 5.738 -4.632 265 HB3 TYR 41 2HB TYR 41 -1.939 6.191 -2.953 266 HD1 TYR 41 1HD TYR 41 -3.820 6.985 -6.015 267 HD2 TYR 41 2HD TYR 41 -3.303 7.854 -1.882 268 HE1 TYR 41 1HE TYR 41 -5.945 8.224 -6.016 269 HE2 TYR 41 2HE TYR 41 -5.427 9.094 -1.871 270 HH TYR 41 HH TYR 41 -6.865 10.298 -4.324 271 H ARG 42 H ARG 42 0.984 7.036 -2.730 272 HA ARG 42 HA ARG 42 2.489 5.291 -4.563 273 HB2 ARG 42 1HB ARG 42 3.416 7.563 -3.559 274 HB3 ARG 42 2HB ARG 42 3.774 6.537 -2.176 275 HG2 ARG 42 1HG ARG 42 5.089 5.060 -3.619 276 HG3 ARG 42 2HG ARG 42 4.741 6.109 -4.996 277 HD2 ARG 42 1HD ARG 42 5.932 7.319 -2.552 278 HD3 ARG 42 2HD ARG 42 6.969 6.350 -3.598 279 HE ARG 42 HE ARG 42 5.856 7.993 -5.368 280 HH11 ARG 42 1HH1 ARG 42 7.240 8.636 -2.240 281 HH12 ARG 42 2HH1 ARG 42 7.755 10.238 -2.652 282 HH21 ARG 42 1HH2 ARG 42 6.528 10.101 -5.923 283 HH22 ARG 42 2HH2 ARG 42 7.349 11.071 -4.747 284 H LEU 43 H LEU 43 2.753 3.224 -4.024 285 HA LEU 43 HA LEU 43 2.065 2.408 -1.282 286 HB2 LEU 43 1HB LEU 43 0.562 1.438 -2.847 287 HB3 LEU 43 2HB LEU 43 1.882 0.955 -3.909 288 HG LEU 43 HG LEU 43 2.614 -0.589 -2.007 289 HD11 LEU 43 1HD1 LEU 43 -0.242 -0.313 -1.128 290 HD12 LEU 43 2HD1 LEU 43 1.063 0.598 -0.368 291 HD13 LEU 43 3HD1 LEU 43 1.082 -1.165 -0.333 292 HD21 LEU 43 3HD2 LEU 43 0.006 -1.085 -3.440 293 HD22 LEU 43 1HD2 LEU 43 1.017 -2.322 -2.692 294 HD23 LEU 43 2HD2 LEU 43 1.623 -1.403 -4.070 295 H PHE 44 H PHE 44 3.409 1.065 -0.133 296 HA PHE 44 HA PHE 44 5.988 0.387 -1.381 297 HB2 PHE 44 1HB PHE 44 5.559 1.476 1.409 298 HB3 PHE 44 2HB PHE 44 7.097 0.903 0.773 299 HD1 PHE 44 2HD PHE 44 8.104 2.108 -1.204 300 HD2 PHE 44 1HD PHE 44 4.842 3.668 1.042 301 HE1 PHE 44 2HE PHE 44 8.576 4.356 -2.086 302 HE2 PHE 44 1HE PHE 44 5.308 5.918 0.163 303 HZ PHE 44 HZ PHE 44 7.178 6.264 -1.402 304 H CYS 45 H CYS 45 6.165 -1.746 -1.453 305 HA CYS 45 HA CYS 45 4.913 -3.353 0.663 306 HB2 CYS 45 1HB CYS 45 4.116 -3.974 -1.508 307 HB3 CYS 45 2HB CYS 45 5.751 -4.040 -2.155 308 HG CYS 45 HG CYS 45 6.141 -6.170 0.022 309 H THR 46 H THR 46 6.209 -4.071 2.205 310 HA THR 46 HA THR 46 9.011 -4.683 1.519 311 HB THR 46 HB THR 46 8.003 -3.723 4.203 312 HG1 THR 46 1HG THR 46 8.807 -2.374 1.941 313 HG21 THR 46 3HG2 THR 46 10.817 -4.076 3.164 314 HG22 THR 46 1HG2 THR 46 10.004 -5.168 4.284 315 HG23 THR 46 2HG2 THR 46 10.356 -3.510 4.769 316 H GLU 47 H GLU 47 9.675 -6.700 1.898 317 HA GLU 47 HA GLU 47 7.828 -8.587 3.088 318 HB2 GLU 47 1HB GLU 47 9.158 -9.053 0.995 319 HB3 GLU 47 2HB GLU 47 10.594 -9.130 2.007 320 HG2 GLU 47 1HG GLU 47 9.633 -10.991 3.249 321 HG3 GLU 47 2HG GLU 47 8.178 -10.908 2.257 322 H VAL 48 H VAL 48 7.800 -8.939 5.199 323 HA VAL 48 HA VAL 48 9.772 -8.039 6.995 324 HB VAL 48 HB VAL 48 7.628 -10.123 7.433 325 HG11 VAL 48 1HG1 VAL 48 9.338 -10.299 9.131 326 HG12 VAL 48 2HG1 VAL 48 9.286 -8.557 9.407 327 HG13 VAL 48 3HG1 VAL 48 7.895 -9.559 9.823 328 HG21 VAL 48 3HG2 VAL 48 6.290 -8.329 8.326 329 HG22 VAL 48 1HG2 VAL 48 7.608 -7.181 8.093 330 HG23 VAL 48 2HG2 VAL 48 6.808 -7.900 6.695 331 H SER 49 H SER 49 9.305 -11.082 5.340 332 HA SER 49 HA SER 49 10.982 -12.697 6.912 333 HB2 SER 49 1HB SER 49 9.343 -13.302 4.951 334 HB3 SER 49 2HB SER 49 10.780 -13.103 3.949 335 HG SER 49 HG SER 49 11.363 -15.005 4.588 336 H THR 50 H THR 50 11.669 -10.879 3.932 337 HA THR 50 HA THR 50 14.528 -11.355 4.295 338 HB THR 50 HB THR 50 14.674 -10.082 2.075 339 HG1 THR 50 1HG THR 50 12.631 -10.156 0.908 340 HG21 THR 50 3HG2 THR 50 13.028 -12.590 1.895 341 HG22 THR 50 1HG2 THR 50 14.699 -12.620 2.457 342 HG23 THR 50 2HG2 THR 50 14.325 -12.043 0.832 343 H GLY 51 H GLY 51 12.365 -8.573 3.712 344 HA2 GLY 51 1HA GLY 51 12.543 -6.664 5.241 345 HA3 GLY 51 2HA GLY 51 14.281 -6.924 5.241 346 H LYS 52 H LYS 52 13.099 -7.446 2.170 347 HA LYS 52 HA LYS 52 14.249 -4.972 1.223 348 HB2 LYS 52 1HB LYS 52 13.103 -7.398 -0.147 349 HB3 LYS 52 2HB LYS 52 13.581 -5.963 -1.045 350 HG2 LYS 52 1HG LYS 52 15.428 -7.371 -1.183 351 HG3 LYS 52 2HG LYS 52 15.854 -6.228 0.093 352 HD2 LYS 52 1HD LYS 52 15.004 -7.926 1.746 353 HD3 LYS 52 2HD LYS 52 14.887 -9.065 0.403 354 HE2 LYS 52 1HE LYS 52 17.145 -9.284 0.214 355 HE3 LYS 52 2HE LYS 52 17.459 -7.635 0.752 356 HZ1 LYS 52 3HZ LYS 52 17.315 -8.238 2.960 357 HZ2 LYS 52 1HZ LYS 52 18.071 -9.592 2.284 358 HZ3 LYS 52 2HZ LYS 52 16.419 -9.638 2.646 359 H GLU 53 H GLU 53 13.196 -3.308 0.186 360 HA GLU 53 HA GLU 53 10.256 -3.343 0.381 361 HB2 GLU 53 1HB GLU 53 11.102 -1.735 1.928 362 HB3 GLU 53 2HB GLU 53 12.217 -1.079 0.738 363 HG2 GLU 53 1HG GLU 53 10.484 -0.043 -0.469 364 HG3 GLU 53 2HG GLU 53 9.241 -0.956 0.384 365 H GLN 54 H GLN 54 9.052 -2.662 -1.343 366 HA GLN 54 HA GLN 54 10.506 -1.811 -3.754 367 HB2 GLN 54 1HB GLN 54 9.162 -3.258 -5.139 368 HB3 GLN 54 2HB GLN 54 9.932 -4.225 -3.888 369 HG2 GLN 54 1HG GLN 54 7.765 -4.001 -2.589 370 HG3 GLN 54 2HG GLN 54 7.061 -3.381 -4.082 371 HE21 GLN 54 1HE2 GLN 54 5.636 -5.193 -4.008 372 HE22 GLN 54 2HE2 GLN 54 6.166 -6.743 -4.555 373 H ASN 55 H ASN 55 9.818 0.137 -4.313 374 HA ASN 55 HA ASN 55 7.296 1.171 -3.400 375 HB2 ASN 55 1HB ASN 55 8.125 3.094 -5.061 376 HB3 ASN 55 2HB ASN 55 8.797 2.898 -3.445 377 HD21 ASN 55 1HD2 ASN 55 10.768 1.604 -3.268 378 HD22 ASN 55 2HD2 ASN 55 11.916 1.668 -4.558 379 H ILE 56 H ILE 56 5.467 1.569 -4.563 380 HA ILE 56 HA ILE 56 5.455 0.922 -7.421 381 HB ILE 56 HB ILE 56 3.476 -0.225 -5.448 382 HG12 ILE 56 1HG1 ILE 56 5.398 -1.741 -7.210 383 HG13 ILE 56 2HG1 ILE 56 5.815 -1.256 -5.570 384 HG21 ILE 56 1HG2 ILE 56 2.385 -1.247 -7.284 385 HG22 ILE 56 2HG2 ILE 56 2.594 0.451 -7.711 386 HG23 ILE 56 3HG2 ILE 56 3.664 -0.770 -8.400 387 HD11 ILE 56 3HD1 ILE 56 4.702 -3.617 -6.220 388 HD12 ILE 56 1HD1 ILE 56 4.537 -2.846 -4.642 389 HD13 ILE 56 2HD1 ILE 56 3.260 -2.674 -5.846 390 H GLU 57 H GLU 57 3.929 2.015 -8.629 391 HA GLU 57 HA GLU 57 2.403 4.075 -7.175 392 HB2 GLU 57 1HB GLU 57 4.035 4.180 -9.654 393 HB3 GLU 57 2HB GLU 57 2.560 5.137 -9.632 394 HG2 GLU 57 1HG GLU 57 3.464 5.991 -7.352 395 HG3 GLU 57 2HG GLU 57 5.011 5.401 -7.955 396 H VAL 58 H VAL 58 0.363 3.364 -7.064 397 HA VAL 58 HA VAL 58 -0.847 2.185 -9.475 398 HB VAL 58 HB VAL 58 -2.518 1.183 -8.050 399 HG11 VAL 58 1HG1 VAL 58 -0.668 -0.225 -8.264 400 HG12 VAL 58 2HG1 VAL 58 0.337 0.785 -7.222 401 HG13 VAL 58 3HG1 VAL 58 -0.966 -0.179 -6.526 402 HG21 VAL 58 3HG2 VAL 58 -1.502 1.654 -5.445 403 HG22 VAL 58 1HG2 VAL 58 -1.727 3.218 -6.230 404 HG23 VAL 58 2HG2 VAL 58 -3.079 2.093 -6.103 405 H ASP 59 H ASP 59 -2.903 2.873 -10.159 406 HA ASP 59 HA ASP 59 -3.742 5.491 -9.095 407 HB2 ASP 59 1HB ASP 59 -4.242 6.259 -11.282 408 HB3 ASP 59 2HB ASP 59 -2.649 5.514 -11.392 409 H GLY 60 H GLY 60 -5.862 5.769 -8.636 410 HA2 GLY 60 1HA GLY 60 -8.190 5.151 -9.349 411 HA3 GLY 60 2HA GLY 60 -7.644 3.485 -9.222 412 H LEU 61 H LEU 61 -9.272 3.018 -7.704 413 HA LEU 61 HA LEU 61 -8.933 4.297 -5.075 414 HB2 LEU 61 1HB LEU 61 -11.269 3.033 -6.444 415 HB3 LEU 61 2HB LEU 61 -11.213 3.097 -4.683 416 HG LEU 61 HG LEU 61 -10.934 5.571 -6.366 417 HD11 LEU 61 1HD1 LEU 61 -13.228 3.923 -6.208 418 HD12 LEU 61 2HD1 LEU 61 -13.074 5.524 -6.930 419 HD13 LEU 61 3HD1 LEU 61 -13.533 5.362 -5.235 420 HD21 LEU 61 3HD2 LEU 61 -12.014 5.258 -3.579 421 HD22 LEU 61 1HD2 LEU 61 -11.464 6.726 -4.385 422 HD23 LEU 61 2HD2 LEU 61 -10.297 5.493 -3.909 423 H SER 62 H SER 62 -8.862 1.288 -6.811 424 HA SER 62 HA SER 62 -7.805 -0.027 -4.417 425 HB2 SER 62 1HB SER 62 -9.862 -1.329 -6.214 426 HB3 SER 62 2HB SER 62 -9.151 -2.008 -4.750 427 HG SER 62 HG SER 62 -11.331 -0.922 -4.655 428 H TYR 63 H TYR 63 -6.359 -1.725 -4.827 429 HA TYR 63 HA TYR 63 -5.692 -2.338 -7.596 430 HB2 TYR 63 1HB TYR 63 -4.316 -0.377 -7.105 431 HB3 TYR 63 2HB TYR 63 -3.688 -1.160 -5.659 432 HD1 TYR 63 2HD TYR 63 -2.275 -3.238 -5.927 433 HD2 TYR 63 1HD TYR 63 -3.330 -0.750 -9.213 434 HE1 TYR 63 2HE TYR 63 -0.444 -4.215 -7.247 435 HE2 TYR 63 1HE TYR 63 -1.503 -1.721 -10.542 436 HH TYR 63 HH TYR 63 0.128 -3.225 -10.610 437 H LYS 64 H LYS 64 -5.515 -4.464 -7.724 438 HA LYS 64 HA LYS 64 -5.017 -6.044 -5.342 439 HB2 LYS 64 1HB LYS 64 -6.769 -6.575 -7.126 440 HB3 LYS 64 2HB LYS 64 -5.427 -7.088 -8.140 441 HG2 LYS 64 1HG LYS 64 -4.801 -8.606 -6.151 442 HG3 LYS 64 2HG LYS 64 -6.456 -8.312 -5.615 443 HD2 LYS 64 1HD LYS 64 -7.055 -8.974 -8.074 444 HD3 LYS 64 2HD LYS 64 -5.470 -9.749 -8.042 445 HE2 LYS 64 1HE LYS 64 -6.099 -11.266 -6.419 446 HE3 LYS 64 2HE LYS 64 -7.394 -10.236 -5.810 447 HZ1 LYS 64 3HZ LYS 64 -8.609 -11.765 -6.941 448 HZ2 LYS 64 1HZ LYS 64 -7.396 -12.083 -8.077 449 HZ3 LYS 64 2HZ LYS 64 -8.334 -10.682 -8.211 450 H LEU 65 H LEU 65 -3.067 -6.707 -4.755 451 HA LEU 65 HA LEU 65 -0.846 -6.489 -6.621 452 HB2 LEU 65 1HB LEU 65 -1.003 -5.832 -4.047 453 HB3 LEU 65 2HB LEU 65 -0.470 -7.501 -3.857 454 HG LEU 65 HG LEU 65 1.389 -6.740 -5.571 455 HD11 LEU 65 1HD1 LEU 65 1.151 -4.576 -6.101 456 HD12 LEU 65 2HD1 LEU 65 1.887 -4.282 -4.525 457 HD13 LEU 65 3HD1 LEU 65 0.133 -4.240 -4.701 458 HD21 LEU 65 3HD2 LEU 65 1.315 -7.293 -2.916 459 HD22 LEU 65 1HD2 LEU 65 1.943 -5.645 -2.903 460 HD23 LEU 65 2HD2 LEU 65 2.781 -6.900 -3.815 461 H GLU 66 H GLU 66 0.588 -8.196 -7.090 462 HA GLU 66 HA GLU 66 -0.190 -10.893 -6.309 463 HB2 GLU 66 1HB GLU 66 0.144 -10.181 -9.223 464 HB3 GLU 66 2HB GLU 66 -0.354 -11.727 -8.551 465 HG2 GLU 66 1HG GLU 66 -2.322 -10.318 -7.559 466 HG3 GLU 66 2HG GLU 66 -1.904 -9.208 -8.863 467 H GLY 67 H GLY 67 1.431 -12.522 -6.986 468 HA2 GLY 67 1HA GLY 67 3.609 -13.168 -7.573 469 HA3 GLY 67 2HA GLY 67 4.047 -11.472 -7.726 470 H LEU 68 H LEU 68 2.427 -12.821 -4.923 471 HA LEU 68 HA LEU 68 4.811 -12.172 -3.331 472 HB2 LEU 68 1HB LEU 68 1.972 -12.530 -2.389 473 HB3 LEU 68 2HB LEU 68 3.335 -11.948 -1.436 474 HG LEU 68 HG LEU 68 2.597 -10.397 -3.857 475 HD11 LEU 68 1HD1 LEU 68 0.877 -10.692 -1.434 476 HD12 LEU 68 2HD1 LEU 68 0.416 -10.560 -3.131 477 HD13 LEU 68 3HD1 LEU 68 0.981 -9.136 -2.258 478 HD21 LEU 68 3HD2 LEU 68 3.804 -9.928 -1.174 479 HD22 LEU 68 1HD2 LEU 68 3.012 -8.587 -2.002 480 HD23 LEU 68 2HD2 LEU 68 4.364 -9.422 -2.769 481 H LYS 69 H LYS 69 4.490 -13.536 -1.074 482 HA LYS 69 HA LYS 69 4.896 -16.292 -1.923 483 HB2 LYS 69 1HB LYS 69 5.508 -14.759 0.588 484 HB3 LYS 69 2HB LYS 69 5.565 -16.516 0.569 485 HG2 LYS 69 1HG LYS 69 7.106 -16.139 -1.513 486 HG3 LYS 69 2HG LYS 69 7.332 -14.545 -0.790 487 HD2 LYS 69 1HD LYS 69 7.748 -15.957 1.391 488 HD3 LYS 69 2HD LYS 69 8.132 -17.230 0.230 489 HE2 LYS 69 1HE LYS 69 9.793 -15.778 -0.817 490 HE3 LYS 69 2HE LYS 69 9.396 -14.491 0.321 491 HZ1 LYS 69 3HZ LYS 69 10.796 -15.358 1.779 492 HZ2 LYS 69 1HZ LYS 69 11.254 -16.527 0.645 493 HZ3 LYS 69 2HZ LYS 69 10.003 -16.851 1.736 494 H LYS 70 H LYS 70 3.650 -17.999 -1.333 495 HA LYS 70 HA LYS 70 1.021 -17.964 -1.016 496 HB2 LYS 70 1HB LYS 70 2.647 -19.977 -0.973 497 HB3 LYS 70 2HB LYS 70 2.568 -19.817 0.776 498 HG2 LYS 70 1HG LYS 70 0.407 -20.531 0.887 499 HG3 LYS 70 2HG LYS 70 0.013 -19.944 -0.731 500 HD2 LYS 70 1HD LYS 70 1.846 -22.279 -0.221 501 HD3 LYS 70 2HD LYS 70 0.107 -22.451 -0.470 502 HE2 LYS 70 1HE LYS 70 0.375 -21.278 -2.652 503 HE3 LYS 70 2HE LYS 70 2.120 -21.306 -2.403 504 HZ1 LYS 70 3HZ LYS 70 1.923 -23.212 -3.565 505 HZ2 LYS 70 1HZ LYS 70 0.311 -23.469 -3.121 506 HZ3 LYS 70 2HZ LYS 70 1.557 -23.867 -2.049 507 H PHE 71 H PHE 71 2.930 -18.415 1.957 508 HA PHE 71 HA PHE 71 1.071 -16.593 3.331 509 HB2 PHE 71 1HB PHE 71 0.554 -18.991 3.822 510 HB3 PHE 71 2HB PHE 71 2.170 -19.155 4.503 511 HD1 PHE 71 1HD PHE 71 2.770 -17.469 6.399 512 HD2 PHE 71 2HD PHE 71 -1.201 -18.425 5.201 513 HE1 PHE 71 1HE PHE 71 1.931 -16.699 8.580 514 HE2 PHE 71 2HE PHE 71 -2.047 -17.656 7.379 515 HZ PHE 71 HZ PHE 71 -0.481 -16.790 9.072 516 H THR 72 H THR 72 2.367 -14.862 3.608 517 HA THR 72 HA THR 72 4.632 -15.164 5.402 518 HB THR 72 HB THR 72 4.942 -13.925 2.662 519 HG1 THR 72 1HG THR 72 5.341 -16.384 3.519 520 HG21 THR 72 3HG2 THR 72 6.096 -12.970 4.927 521 HG22 THR 72 1HG2 THR 72 6.824 -12.870 3.324 522 HG23 THR 72 2HG2 THR 72 7.286 -14.170 4.423 523 H GLU 73 H GLU 73 4.526 -13.618 6.888 524 HA GLU 73 HA GLU 73 2.612 -11.581 6.870 525 HB2 GLU 73 1HB GLU 73 3.519 -12.381 8.952 526 HB3 GLU 73 2HB GLU 73 5.141 -11.885 8.491 527 HG2 GLU 73 1HG GLU 73 4.577 -9.583 8.668 528 HG3 GLU 73 2HG GLU 73 2.865 -9.958 8.856 529 H TYR 74 H TYR 74 2.583 -10.051 5.341 530 HA TYR 74 HA TYR 74 5.102 -8.725 4.618 531 HB2 TYR 74 1HB TYR 74 2.474 -9.073 3.215 532 HB3 TYR 74 2HB TYR 74 3.539 -7.745 2.766 533 HD1 TYR 74 2HD TYR 74 5.968 -8.365 2.137 534 HD2 TYR 74 1HD TYR 74 2.783 -11.183 2.278 535 HE1 TYR 74 2HE TYR 74 7.252 -9.880 0.686 536 HE2 TYR 74 1HE TYR 74 4.059 -12.706 0.828 537 HH TYR 74 HH TYR 74 6.639 -13.047 0.334 538 H SER 75 H SER 75 5.314 -6.492 4.687 539 HA SER 75 HA SER 75 3.219 -5.067 6.195 540 HB2 SER 75 1HB SER 75 5.162 -5.425 7.620 541 HB3 SER 75 2HB SER 75 6.223 -4.737 6.390 542 HG SER 75 HG SER 75 5.459 -3.332 8.204 543 H LEU 76 H LEU 76 2.237 -3.695 4.867 544 HA LEU 76 HA LEU 76 3.826 -2.326 2.807 545 HB2 LEU 76 1HB LEU 76 0.834 -2.359 2.905 546 HB3 LEU 76 2HB LEU 76 1.894 -2.103 1.521 547 HG LEU 76 HG LEU 76 1.727 -4.761 2.912 548 HD11 LEU 76 1HD1 LEU 76 0.236 -4.552 0.429 549 HD12 LEU 76 2HD1 LEU 76 -0.443 -3.555 1.714 550 HD13 LEU 76 3HD1 LEU 76 -0.219 -5.286 1.966 551 HD21 LEU 76 3HD2 LEU 76 3.489 -4.974 1.511 552 HD22 LEU 76 1HD2 LEU 76 2.952 -3.664 0.459 553 HD23 LEU 76 2HD2 LEU 76 2.217 -5.261 0.322 554 H ARG 77 H ARG 77 2.904 -0.082 2.255 555 HA ARG 77 HA ARG 77 1.860 1.369 4.543 556 HB2 ARG 77 1HB ARG 77 4.343 1.307 4.847 557 HB3 ARG 77 2HB ARG 77 4.506 2.156 3.315 558 HG2 ARG 77 1HG ARG 77 3.547 4.114 4.168 559 HG3 ARG 77 2HG ARG 77 2.886 3.278 5.574 560 HD2 ARG 77 1HD ARG 77 4.776 4.550 6.294 561 HD3 ARG 77 2HD ARG 77 5.225 2.846 6.324 562 HE ARG 77 HE ARG 77 5.922 4.271 3.904 563 HH11 ARG 77 1HH1 ARG 77 6.936 3.207 7.060 564 HH12 ARG 77 2HH1 ARG 77 8.626 3.317 6.697 565 HH21 ARG 77 1HH2 ARG 77 8.145 4.420 3.414 566 HH22 ARG 77 2HH2 ARG 77 9.313 4.008 4.623 567 H PHE 78 H PHE 78 0.375 2.729 3.813 568 HA PHE 78 HA PHE 78 0.587 3.683 1.037 569 HB2 PHE 78 1HB PHE 78 -1.437 2.255 1.979 570 HB3 PHE 78 2HB PHE 78 -1.980 3.827 2.555 571 HD1 PHE 78 1HD PHE 78 -0.929 2.003 -0.498 572 HD2 PHE 78 2HD PHE 78 -3.068 5.307 1.124 573 HE1 PHE 78 1HE PHE 78 -1.853 2.494 -2.725 574 HE2 PHE 78 2HE PHE 78 -3.996 5.802 -1.100 575 HZ PHE 78 HZ PHE 78 -3.390 4.394 -3.028 576 H LEU 79 H LEU 79 0.316 5.843 0.564 577 HA LEU 79 HA LEU 79 -0.375 7.752 2.606 578 HB2 LEU 79 1HB LEU 79 1.685 8.925 2.700 579 HB3 LEU 79 2HB LEU 79 2.023 7.231 3.049 580 HG LEU 79 HG LEU 79 2.619 7.140 0.498 581 HD11 LEU 79 1HD1 LEU 79 1.871 9.734 0.564 582 HD12 LEU 79 2HD1 LEU 79 3.014 9.062 -0.597 583 HD13 LEU 79 3HD1 LEU 79 3.606 9.887 0.844 584 HD21 LEU 79 3HD2 LEU 79 4.186 6.689 2.292 585 HD22 LEU 79 1HD2 LEU 79 4.389 8.417 2.580 586 HD23 LEU 79 2HD2 LEU 79 4.945 7.704 1.065 587 H ALA 80 H ALA 80 -0.565 9.925 1.777 588 HA ALA 80 HA ALA 80 -1.151 9.927 -1.089 589 HB1 ALA 80 3HB ALA 80 -2.216 11.330 1.257 590 HB2 ALA 80 1HB ALA 80 -2.055 12.325 -0.191 591 HB3 ALA 80 2HB ALA 80 -3.015 10.845 -0.239 592 H TYR 81 H TYR 81 -0.310 11.432 -2.514 593 HA TYR 81 HA TYR 81 1.634 13.373 -1.554 594 HB2 TYR 81 1HB TYR 81 3.459 12.575 -2.852 595 HB3 TYR 81 2HB TYR 81 2.844 11.183 -1.968 596 HD1 TYR 81 1HD TYR 81 2.653 12.873 -5.280 597 HD2 TYR 81 2HD TYR 81 2.264 9.233 -3.111 598 HE1 TYR 81 1HE TYR 81 2.411 11.644 -7.397 599 HE2 TYR 81 2HE TYR 81 2.022 7.994 -5.222 600 HH TYR 81 HH TYR 81 2.912 8.671 -7.865 601 H ASN 82 H ASN 82 1.474 15.208 -2.666 602 HA ASN 82 HA ASN 82 0.336 15.112 -5.380 603 HB2 ASN 82 1HB ASN 82 -1.049 16.980 -4.958 604 HB3 ASN 82 2HB ASN 82 -1.259 15.933 -3.557 605 HD21 ASN 82 1HD2 ASN 82 -0.052 16.461 -1.627 606 HD22 ASN 82 2HD2 ASN 82 0.327 18.113 -1.291 607 H ARG 83 H ARG 83 0.568 17.601 -6.236 608 HA ARG 83 HA ARG 83 3.050 17.982 -7.158 609 HB2 ARG 83 1HB ARG 83 2.520 20.228 -7.623 610 HB3 ARG 83 2HB ARG 83 0.968 19.401 -7.579 611 HG2 ARG 83 1HG ARG 83 0.442 21.213 -6.326 612 HG3 ARG 83 2HG ARG 83 1.055 20.168 -5.044 613 HD2 ARG 83 1HD ARG 83 2.156 22.166 -4.639 614 HD3 ARG 83 2HD ARG 83 3.339 21.257 -5.578 615 HE ARG 83 HE ARG 83 1.932 22.687 -7.433 616 HH11 ARG 83 1HH1 ARG 83 3.758 23.466 -4.574 617 HH12 ARG 83 2HH1 ARG 83 4.247 25.025 -5.152 618 HH21 ARG 83 1HH2 ARG 83 2.569 24.737 -8.206 619 HH22 ARG 83 2HH2 ARG 83 3.569 25.746 -7.218 620 H TYR 84 H TYR 84 1.962 18.812 -3.930 621 HA TYR 84 HA TYR 84 4.285 20.275 -3.182 622 HB2 TYR 84 1HB TYR 84 2.121 18.933 -1.558 623 HB3 TYR 84 2HB TYR 84 3.426 19.869 -0.837 624 HD1 TYR 84 1HD TYR 84 3.698 22.192 -2.488 625 HD2 TYR 84 2HD TYR 84 0.148 20.119 -1.391 626 HE1 TYR 84 1HE TYR 84 2.400 24.256 -2.810 627 HE2 TYR 84 2HE TYR 84 -1.160 22.177 -1.711 628 HH TYR 84 HH TYR 84 -0.823 24.584 -1.744 629 H GLY 85 H GLY 85 3.168 17.029 -2.188 630 HA2 GLY 85 1HA GLY 85 5.318 15.496 -2.676 631 HA3 GLY 85 2HA GLY 85 5.829 16.371 -1.240 632 HA PRO 86 HA PRO 86 3.389 12.498 -0.124 633 HB2 PRO 86 1HB PRO 86 5.406 11.218 1.167 634 HB3 PRO 86 2HB PRO 86 5.104 11.033 -0.565 635 HG2 PRO 86 1HG PRO 86 7.112 12.757 0.834 636 HG3 PRO 86 2HG PRO 86 7.314 11.754 -0.614 637 HD2 PRO 86 1HD PRO 86 6.949 14.434 -0.739 638 HD3 PRO 86 2HD PRO 86 6.352 13.329 -1.994 639 H GLY 87 H GLY 87 2.139 13.082 1.542 640 HA2 GLY 87 1HA GLY 87 3.283 14.491 3.819 641 HA3 GLY 87 2HA GLY 87 1.575 14.215 3.514 642 H VAL 88 H VAL 88 0.875 13.256 5.330 643 HA VAL 88 HA VAL 88 2.295 11.594 7.030 644 HB VAL 88 HB VAL 88 -0.137 12.652 7.187 645 HG11 VAL 88 1HG1 VAL 88 -1.019 9.839 6.963 646 HG12 VAL 88 2HG1 VAL 88 -1.895 11.335 6.633 647 HG13 VAL 88 3HG1 VAL 88 -0.746 10.706 5.452 648 HG21 VAL 88 3HG2 VAL 88 -0.449 11.464 9.211 649 HG22 VAL 88 1HG2 VAL 88 0.460 10.074 8.617 650 HG23 VAL 88 2HG2 VAL 88 1.295 11.585 8.977 651 H SER 89 H SER 89 2.316 9.332 7.347 652 HA SER 89 HA SER 89 1.664 7.751 4.947 653 HB2 SER 89 1HB SER 89 3.987 7.133 6.768 654 HB3 SER 89 2HB SER 89 3.673 6.513 5.147 655 HG SER 89 HG SER 89 4.865 8.104 4.492 656 H THR 90 H THR 90 0.130 6.321 5.363 657 HA THR 90 HA THR 90 -1.043 5.726 7.744 658 HB THR 90 HB THR 90 -1.861 3.627 6.750 659 HG1 THR 90 1HG THR 90 -0.007 2.933 5.659 660 HG21 THR 90 3HG2 THR 90 -2.140 6.244 5.664 661 HG22 THR 90 1HG2 THR 90 -3.312 4.927 5.673 662 HG23 THR 90 2HG2 THR 90 -2.174 5.086 4.335 663 H ASP 91 H ASP 91 -1.027 3.741 9.052 664 HA ASP 91 HA ASP 91 1.615 3.159 9.971 665 HB2 ASP 91 1HB ASP 91 0.608 2.161 11.787 666 HB3 ASP 91 2HB ASP 91 -0.686 3.233 11.262 667 H ASP 92 H ASP 92 2.754 1.233 9.888 668 HA ASP 92 HA ASP 92 2.862 -0.193 7.578 669 HB2 ASP 92 1HB ASP 92 3.410 -1.528 10.223 670 HB3 ASP 92 2HB ASP 92 4.233 -1.770 8.685 671 H ILE 93 H ILE 93 1.111 -1.037 6.608 672 HA ILE 93 HA ILE 93 -0.946 -2.412 8.070 673 HB ILE 93 HB ILE 93 -0.513 -2.202 5.088 674 HG12 ILE 93 1HG1 ILE 93 -2.454 -0.667 6.821 675 HG13 ILE 93 2HG1 ILE 93 -0.874 -0.044 6.360 676 HG21 ILE 93 1HG2 ILE 93 -2.624 -3.455 6.759 677 HG22 ILE 93 2HG2 ILE 93 -3.115 -2.630 5.280 678 HG23 ILE 93 3HG2 ILE 93 -1.961 -3.961 5.206 679 HD11 ILE 93 3HD1 ILE 93 -1.877 -0.737 3.946 680 HD12 ILE 93 1HD1 ILE 93 -3.344 -0.268 4.805 681 HD13 ILE 93 2HD1 ILE 93 -2.004 0.870 4.663 682 H THR 94 H THR 94 -0.349 -4.305 8.960 683 HA THR 94 HA THR 94 1.316 -6.177 7.487 684 HB THR 94 HB THR 94 0.059 -6.551 10.210 685 HG1 THR 94 1HG THR 94 1.798 -5.562 11.048 686 HG21 THR 94 3HG2 THR 94 2.190 -7.992 8.661 687 HG22 THR 94 1HG2 THR 94 0.763 -8.654 9.456 688 HG23 THR 94 2HG2 THR 94 2.122 -8.075 10.421 689 H VAL 95 H VAL 95 0.399 -7.470 6.040 690 HA VAL 95 HA VAL 95 -2.172 -8.731 6.719 691 HB VAL 95 HB VAL 95 -1.383 -7.675 4.001 692 HG11 VAL 95 1HG1 VAL 95 -2.681 -9.324 3.231 693 HG12 VAL 95 2HG1 VAL 95 -3.320 -9.689 4.835 694 HG13 VAL 95 3HG1 VAL 95 -4.029 -8.390 3.877 695 HG21 VAL 95 3HG2 VAL 95 -3.893 -6.818 5.272 696 HG22 VAL 95 1HG2 VAL 95 -2.419 -6.252 6.058 697 HG23 VAL 95 2HG2 VAL 95 -2.707 -5.887 4.357 698 H VAL 96 H VAL 96 -1.616 -10.785 7.108 699 HA VAL 96 HA VAL 96 0.538 -12.095 5.735 700 HB VAL 96 HB VAL 96 -1.561 -13.342 7.514 701 HG11 VAL 96 1HG1 VAL 96 -0.549 -15.189 6.704 702 HG12 VAL 96 2HG1 VAL 96 0.896 -14.309 6.204 703 HG13 VAL 96 3HG1 VAL 96 0.688 -14.777 7.891 704 HG21 VAL 96 3HG2 VAL 96 0.505 -11.473 8.154 705 HG22 VAL 96 1HG2 VAL 96 -0.657 -12.255 9.226 706 HG23 VAL 96 2HG2 VAL 96 0.887 -13.035 8.880 707 H THR 97 H THR 97 0.377 -12.878 3.749 708 HA THR 97 HA THR 97 -1.933 -13.115 2.243 709 HB THR 97 HB THR 97 -0.551 -14.778 0.841 710 HG1 THR 97 1HG THR 97 1.421 -15.248 1.524 711 HG21 THR 97 3HG2 THR 97 -0.616 -12.603 0.022 712 HG22 THR 97 1HG2 THR 97 1.110 -12.874 0.251 713 HG23 THR 97 2HG2 THR 97 0.201 -11.939 1.437 714 H LEU 98 H LEU 98 -3.115 -14.950 1.493 715 HA LEU 98 HA LEU 98 -3.994 -16.675 3.507 716 HB2 LEU 98 1HB LEU 98 -4.228 -17.245 0.565 717 HB3 LEU 98 2HB LEU 98 -5.324 -17.730 1.858 718 HG LEU 98 HG LEU 98 -4.969 -14.983 0.674 719 HD11 LEU 98 1HD1 LEU 98 -7.133 -17.051 0.672 720 HD12 LEU 98 2HD1 LEU 98 -6.433 -16.165 -0.682 721 HD13 LEU 98 3HD1 LEU 98 -7.513 -15.344 0.444 722 HD21 LEU 98 3HD2 LEU 98 -5.603 -14.087 2.601 723 HD22 LEU 98 1HD2 LEU 98 -5.684 -15.683 3.349 724 HD23 LEU 98 2HD2 LEU 98 -7.097 -15.023 2.524 725 H SER 99 H SER 99 -4.145 -19.204 2.685 726 HA SER 99 HA SER 99 -1.410 -20.119 2.150 727 HB2 SER 99 1HB SER 99 -1.443 -20.284 4.501 728 HB3 SER 99 2HB SER 99 -3.118 -20.835 4.525 729 HG SER 99 HG SER 99 -2.466 -22.809 3.737 730 H ASP 100 H ASP 100 -1.668 -21.154 0.274 731 HA ASP 100 HA ASP 100 -3.992 -22.346 -0.683 732 HB2 ASP 100 1HB ASP 100 -1.713 -21.773 -1.859 733 HB3 ASP 100 2HB ASP 100 -1.315 -23.442 -1.459 734 H SER 101 H SER 101 -1.132 -24.000 0.669 735 HA SER 101 HA SER 101 -2.717 -26.420 1.030 736 HB2 SER 101 1HB SER 101 -0.359 -26.430 0.072 737 HB3 SER 101 2HB SER 101 0.205 -26.049 1.700 738 HG SER 101 HG SER 101 -0.734 -28.416 0.668 739 H GLY 102 H GLY 102 -3.816 -26.688 2.851 740 HA2 GLY 102 1HA GLY 102 -3.038 -27.003 5.354 741 HA3 GLY 102 2HA GLY 102 -2.994 -25.249 5.260 742 HA PRO 103 HA PRO 103 -7.402 -27.116 5.898 743 HB2 PRO 103 1HB PRO 103 -7.477 -27.487 8.586 744 HB3 PRO 103 2HB PRO 103 -7.013 -28.761 7.453 745 HG2 PRO 103 1HG PRO 103 -5.273 -26.971 9.105 746 HG3 PRO 103 2HG PRO 103 -5.121 -28.712 8.803 747 HD2 PRO 103 1HD PRO 103 -3.633 -26.870 7.489 748 HD3 PRO 103 2HD PRO 103 -4.143 -28.397 6.740 749 H SER 104 H SER 104 -9.128 -25.874 6.674 750 HA SER 104 HA SER 104 -8.432 -23.137 7.322 751 HB2 SER 104 1HB SER 104 -10.189 -23.698 5.633 752 HB3 SER 104 2HB SER 104 -11.178 -24.352 6.938 753 HG SER 104 HG SER 104 -10.584 -21.715 6.301 754 H SER 105 H SER 105 -7.581 -23.578 9.451 755 HA SER 105 HA SER 105 -9.400 -24.511 11.497 756 HB2 SER 105 1HB SER 105 -6.570 -23.449 11.641 757 HB3 SER 105 2HB SER 105 -7.477 -24.042 13.033 758 HG SER 105 HG SER 105 -7.637 -26.063 11.938 759 H GLY 106 H GLY 106 -10.625 -23.291 12.795 760 HA2 GLY 106 1HA GLY 106 -11.084 -21.369 14.114 761 HA3 GLY 106 2HA GLY 106 -10.004 -20.439 13.085 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.528 34.212 4.436 2 HA2 GLY 1 1HA GLY 1 10.475 32.102 6.029 3 HA3 GLY 1 2HA GLY 1 9.253 32.279 4.778 4 H SER 2 H SER 2 9.535 29.807 5.408 5 HA SER 2 HA SER 2 11.166 28.652 3.256 6 HB2 SER 2 1HB SER 2 11.918 26.848 4.669 7 HB3 SER 2 2HB SER 2 12.312 28.369 5.470 8 HG SER 2 HG SER 2 11.023 27.851 7.046 9 H SER 3 H SER 3 8.540 28.139 5.580 10 HA SER 3 HA SER 3 7.440 25.810 4.646 11 HB2 SER 3 1HB SER 3 6.690 27.405 6.578 12 HB3 SER 3 2HB SER 3 5.629 28.099 5.352 13 HG SER 3 HG SER 3 4.438 26.347 5.375 14 H GLY 4 H GLY 4 6.697 25.170 2.740 15 HA2 GLY 4 1HA GLY 4 5.203 27.031 1.061 16 HA3 GLY 4 2HA GLY 4 6.681 26.371 0.376 17 H SER 5 H SER 5 6.836 23.953 0.375 18 HA SER 5 HA SER 5 4.362 22.886 -0.690 19 HB2 SER 5 1HB SER 5 7.164 21.760 -0.531 20 HB3 SER 5 2HB SER 5 5.804 20.898 -1.250 21 HG SER 5 HG SER 5 5.590 22.657 -2.717 22 H SER 6 H SER 6 2.934 22.260 0.816 23 HA SER 6 HA SER 6 3.858 20.836 3.192 24 HB2 SER 6 1HB SER 6 2.207 22.682 3.430 25 HB3 SER 6 2HB SER 6 1.060 21.746 2.472 26 HG SER 6 HG SER 6 1.724 21.512 5.101 27 H GLY 7 H GLY 7 2.809 18.847 3.866 28 HA2 GLY 7 1HA GLY 7 2.375 17.087 1.574 29 HA3 GLY 7 2HA GLY 7 2.684 16.583 3.229 30 HA PRO 8 HA PRO 8 -1.993 16.872 2.054 31 HB2 PRO 8 1HB PRO 8 -2.424 14.478 0.847 32 HB3 PRO 8 2HB PRO 8 -2.024 15.948 -0.050 33 HG2 PRO 8 1HG PRO 8 -0.242 13.688 0.773 34 HG3 PRO 8 2HG PRO 8 -0.310 14.553 -0.774 35 HD2 PRO 8 1HD PRO 8 1.567 15.075 1.106 36 HD3 PRO 8 2HD PRO 8 0.930 16.326 0.020 37 H GLY 9 H GLY 9 -3.646 15.698 3.154 38 HA2 GLY 9 1HA GLY 9 -2.755 14.444 5.553 39 HA3 GLY 9 2HA GLY 9 -4.425 14.625 5.035 40 HA PRO 10 HA PRO 10 -2.803 10.162 4.632 41 HB2 PRO 10 1HB PRO 10 -4.024 9.094 6.809 42 HB3 PRO 10 2HB PRO 10 -2.390 9.767 6.858 43 HG2 PRO 10 1HG PRO 10 -4.979 11.015 7.695 44 HG3 PRO 10 2HG PRO 10 -3.406 11.048 8.512 45 HD2 PRO 10 1HD PRO 10 -4.320 13.121 7.029 46 HD3 PRO 10 2HD PRO 10 -2.594 12.724 7.155 47 H VAL 11 H VAL 11 -4.000 9.101 3.194 48 HA VAL 11 HA VAL 11 -6.546 9.626 2.399 49 HB VAL 11 HB VAL 11 -6.659 7.370 1.445 50 HG11 VAL 11 1HG1 VAL 11 -3.920 7.691 0.776 51 HG12 VAL 11 2HG1 VAL 11 -5.342 8.178 -0.149 52 HG13 VAL 11 3HG1 VAL 11 -4.617 9.294 1.009 53 HG21 VAL 11 3HG2 VAL 11 -5.813 6.020 3.214 54 HG22 VAL 11 1HG2 VAL 11 -4.716 5.829 1.846 55 HG23 VAL 11 2HG2 VAL 11 -4.264 6.863 3.201 56 H GLU 12 H GLU 12 -8.525 8.249 2.582 57 HA GLU 12 HA GLU 12 -8.908 7.381 5.372 58 HB2 GLU 12 1HB GLU 12 -11.075 8.447 3.566 59 HB3 GLU 12 2HB GLU 12 -11.147 8.191 5.304 60 HG2 GLU 12 1HG GLU 12 -9.143 9.930 5.252 61 HG3 GLU 12 2HG GLU 12 -9.946 10.409 3.758 62 H ASN 13 H ASN 13 -10.965 5.932 5.524 63 HA ASN 13 HA ASN 13 -11.590 3.740 5.222 64 HB2 ASN 13 1HB ASN 13 -12.059 4.762 2.414 65 HB3 ASN 13 2HB ASN 13 -12.891 3.425 3.202 66 HD21 ASN 13 1HD2 ASN 13 -12.795 6.777 2.679 67 HD22 ASN 13 2HD2 ASN 13 -14.124 7.214 3.693 68 H LEU 14 H LEU 14 -8.881 3.792 5.132 69 HA LEU 14 HA LEU 14 -8.037 2.356 2.734 70 HB2 LEU 14 1HB LEU 14 -6.519 4.039 3.407 71 HB3 LEU 14 2HB LEU 14 -6.561 3.505 5.087 72 HG LEU 14 HG LEU 14 -5.510 1.316 4.095 73 HD11 LEU 14 1HD1 LEU 14 -3.979 1.854 2.219 74 HD12 LEU 14 2HD1 LEU 14 -4.823 3.390 2.021 75 HD13 LEU 14 3HD1 LEU 14 -5.684 1.872 1.768 76 HD21 LEU 14 3HD2 LEU 14 -4.558 3.453 5.488 77 HD22 LEU 14 1HD2 LEU 14 -3.492 3.440 4.083 78 HD23 LEU 14 2HD2 LEU 14 -3.627 2.005 5.100 79 H GLN 15 H GLN 15 -7.908 0.214 2.652 80 HA GLN 15 HA GLN 15 -7.250 -1.353 4.982 81 HB2 GLN 15 1HB GLN 15 -9.996 -1.397 3.765 82 HB3 GLN 15 2HB GLN 15 -9.338 -2.826 4.551 83 HG2 GLN 15 1HG GLN 15 -8.885 -1.184 6.523 84 HG3 GLN 15 2HG GLN 15 -10.117 -0.204 5.730 85 HE21 GLN 15 1HE2 GLN 15 -9.457 -3.049 7.553 86 HE22 GLN 15 2HE2 GLN 15 -11.097 -3.530 7.807 87 H ALA 16 H ALA 16 -6.272 -3.239 4.449 88 HA ALA 16 HA ALA 16 -6.365 -4.068 1.624 89 HB1 ALA 16 3HB ALA 16 -4.184 -2.909 2.788 90 HB2 ALA 16 1HB ALA 16 -3.843 -4.627 2.995 91 HB3 ALA 16 2HB ALA 16 -4.141 -3.974 1.383 92 H VAL 17 H VAL 17 -6.594 -6.207 1.244 93 HA VAL 17 HA VAL 17 -6.050 -8.159 3.317 94 HB VAL 17 HB VAL 17 -8.413 -9.145 2.944 95 HG11 VAL 17 1HG1 VAL 17 -9.192 -8.113 4.908 96 HG12 VAL 17 2HG1 VAL 17 -7.432 -8.078 5.037 97 HG13 VAL 17 3HG1 VAL 17 -8.313 -6.622 4.572 98 HG21 VAL 17 3HG2 VAL 17 -10.162 -7.613 2.413 99 HG22 VAL 17 1HG2 VAL 17 -9.040 -6.253 2.378 100 HG23 VAL 17 2HG2 VAL 17 -8.957 -7.497 1.131 101 H SER 18 H SER 18 -5.684 -10.193 2.520 102 HA SER 18 HA SER 18 -5.511 -10.395 -0.386 103 HB2 SER 18 1HB SER 18 -3.521 -10.970 0.946 104 HB3 SER 18 2HB SER 18 -4.436 -12.234 1.768 105 HG SER 18 HG SER 18 -3.456 -12.149 -0.848 106 H THR 19 H THR 19 -6.725 -11.723 -1.601 107 HA THR 19 HA THR 19 -8.731 -13.367 -0.208 108 HB THR 19 HB THR 19 -10.247 -13.003 -1.934 109 HG1 THR 19 1HG THR 19 -8.425 -11.798 -3.692 110 HG21 THR 19 3HG2 THR 19 -8.569 -10.527 -1.598 111 HG22 THR 19 1HG2 THR 19 -10.082 -10.939 -0.794 112 HG23 THR 19 2HG2 THR 19 -10.079 -10.529 -2.509 113 H SER 20 H SER 20 -5.866 -13.661 -1.779 114 HA SER 20 HA SER 20 -6.456 -16.433 -2.521 115 HB2 SER 20 1HB SER 20 -5.689 -14.290 -4.351 116 HB3 SER 20 2HB SER 20 -4.589 -15.667 -4.422 117 HG SER 20 HG SER 20 -6.840 -16.820 -4.420 118 HA PRO 21 HA PRO 21 -2.688 -17.885 -0.817 119 HB2 PRO 21 1HB PRO 21 -1.517 -18.213 -3.541 120 HB3 PRO 21 2HB PRO 21 -1.628 -19.377 -2.216 121 HG2 PRO 21 1HG PRO 21 -3.270 -19.505 -4.330 122 HG3 PRO 21 2HG PRO 21 -3.821 -19.917 -2.695 123 HD2 PRO 21 1HD PRO 21 -4.408 -17.539 -4.347 124 HD3 PRO 21 2HD PRO 21 -5.385 -18.322 -3.088 125 H THR 22 H THR 22 -1.993 -15.896 -3.695 126 HA THR 22 HA THR 22 -0.128 -14.318 -2.063 127 HB THR 22 HB THR 22 1.487 -14.202 -3.874 128 HG1 THR 22 1HG THR 22 -0.066 -14.534 -5.595 129 HG21 THR 22 3HG2 THR 22 1.972 -16.778 -4.029 130 HG22 THR 22 1HG2 THR 22 0.674 -16.883 -2.841 131 HG23 THR 22 2HG2 THR 22 2.117 -15.932 -2.488 132 H SER 23 H SER 23 -1.618 -12.639 -1.925 133 HA SER 23 HA SER 23 -1.617 -10.808 -4.106 134 HB2 SER 23 1HB SER 23 -3.989 -10.735 -4.583 135 HB3 SER 23 2HB SER 23 -3.417 -12.385 -4.832 136 HG SER 23 HG SER 23 -5.397 -12.231 -3.621 137 H ILE 24 H ILE 24 -3.231 -8.925 -3.559 138 HA ILE 24 HA ILE 24 -3.832 -8.549 -0.783 139 HB ILE 24 HB ILE 24 -1.538 -6.994 -1.981 140 HG12 ILE 24 1HG1 ILE 24 -1.772 -8.973 0.281 141 HG13 ILE 24 2HG1 ILE 24 -0.721 -9.051 -1.129 142 HG21 ILE 24 1HG2 ILE 24 -2.978 -5.484 -0.762 143 HG22 ILE 24 2HG2 ILE 24 -3.004 -6.578 0.620 144 HG23 ILE 24 3HG2 ILE 24 -1.504 -5.772 0.162 145 HD11 ILE 24 3HD1 ILE 24 -0.469 -7.290 1.284 146 HD12 ILE 24 1HD1 ILE 24 0.664 -8.499 0.679 147 HD13 ILE 24 2HD1 ILE 24 0.424 -6.992 -0.207 148 H LEU 25 H LEU 25 -5.819 -7.766 -1.151 149 HA LEU 25 HA LEU 25 -6.299 -5.848 -3.273 150 HB2 LEU 25 1HB LEU 25 -7.859 -7.738 -2.682 151 HB3 LEU 25 2HB LEU 25 -8.249 -6.850 -1.210 152 HG LEU 25 HG LEU 25 -9.058 -4.973 -2.644 153 HD11 LEU 25 1HD1 LEU 25 -7.695 -6.146 -4.649 154 HD12 LEU 25 2HD1 LEU 25 -9.031 -5.021 -4.894 155 HD13 LEU 25 3HD1 LEU 25 -9.318 -6.760 -4.969 156 HD21 LEU 25 3HD2 LEU 25 -10.293 -7.686 -2.611 157 HD22 LEU 25 1HD2 LEU 25 -11.066 -6.399 -3.537 158 HD23 LEU 25 2HD2 LEU 25 -10.805 -6.204 -1.803 159 H ILE 26 H ILE 26 -5.508 -3.873 -2.794 160 HA ILE 26 HA ILE 26 -5.985 -2.740 -0.141 161 HB ILE 26 HB ILE 26 -4.466 -1.421 -2.379 162 HG12 ILE 26 1HG1 ILE 26 -3.044 -2.927 -0.232 163 HG13 ILE 26 2HG1 ILE 26 -3.726 -3.844 -1.570 164 HG21 ILE 26 1HG2 ILE 26 -4.726 0.186 -0.780 165 HG22 ILE 26 2HG2 ILE 26 -4.818 -0.982 0.537 166 HG23 ILE 26 3HG2 ILE 26 -3.257 -0.586 -0.183 167 HD11 ILE 26 3HD1 ILE 26 -2.365 -1.692 -2.729 168 HD12 ILE 26 1HD1 ILE 26 -1.313 -2.315 -1.458 169 HD13 ILE 26 2HD1 ILE 26 -1.900 -3.393 -2.726 170 H THR 27 H THR 27 -7.796 -1.641 0.166 171 HA THR 27 HA THR 27 -8.917 -0.108 -2.088 172 HB THR 27 HB THR 27 -11.116 -0.309 -0.968 173 HG1 THR 27 1HG THR 27 -10.460 -2.407 0.632 174 HG21 THR 27 3HG2 THR 27 -10.155 -3.115 -1.209 175 HG22 THR 27 1HG2 THR 27 -10.007 -2.063 -2.617 176 HG23 THR 27 2HG2 THR 27 -11.590 -2.350 -1.892 177 H TRP 28 H TRP 28 -8.022 1.878 -1.750 178 HA TRP 28 HA TRP 28 -8.429 3.107 0.894 179 HB2 TRP 28 1HB TRP 28 -6.634 4.648 0.330 180 HB3 TRP 28 2HB TRP 28 -6.080 2.989 0.120 181 HD1 TRP 28 HD TRP 28 -6.332 6.232 -1.681 182 HE1 TRP 28 1HE TRP 28 -5.613 5.945 -4.135 183 HE3 TRP 28 3HE TRP 28 -6.260 1.126 -1.912 184 HZ2 TRP 28 2HZ TRP 28 -5.085 3.832 -5.932 185 HZ3 TRP 28 3HZ TRP 28 -5.638 0.050 -4.035 186 HH2 TRP 28 HH TRP 28 -5.063 1.377 -6.003 187 H GLU 29 H GLU 29 -8.555 5.641 0.618 188 HA GLU 29 HA GLU 29 -10.266 6.359 -1.642 189 HB2 GLU 29 1HB GLU 29 -11.084 6.266 1.220 190 HB3 GLU 29 2HB GLU 29 -11.665 7.612 0.249 191 HG2 GLU 29 1HG GLU 29 -12.361 5.737 -1.422 192 HG3 GLU 29 2HG GLU 29 -12.258 4.704 0.003 193 HA PRO 30 HA PRO 30 -8.196 10.223 -1.535 194 HB2 PRO 30 1HB PRO 30 -10.167 11.968 -2.200 195 HB3 PRO 30 2HB PRO 30 -9.450 10.841 -3.358 196 HG2 PRO 30 1HG PRO 30 -12.017 10.613 -1.834 197 HG3 PRO 30 2HG PRO 30 -11.688 10.235 -3.535 198 HD2 PRO 30 1HD PRO 30 -11.828 8.327 -1.619 199 HD3 PRO 30 2HD PRO 30 -10.761 8.186 -3.031 200 HA PRO 31 HA PRO 31 -8.835 11.801 2.571 201 HB2 PRO 31 1HB PRO 31 -6.918 13.720 2.477 202 HB3 PRO 31 2HB PRO 31 -6.549 12.003 2.676 203 HG2 PRO 31 1HG PRO 31 -6.453 13.687 0.202 204 HG3 PRO 31 2HG PRO 31 -5.297 12.469 0.772 205 HD2 PRO 31 1HD PRO 31 -7.130 11.950 -1.153 206 HD3 PRO 31 2HD PRO 31 -6.570 10.713 -0.009 207 H ALA 32 H ALA 32 -9.966 13.453 3.492 208 HA ALA 32 HA ALA 32 -11.138 15.409 1.677 209 HB1 ALA 32 3HB ALA 32 -12.146 15.720 4.305 210 HB2 ALA 32 1HB ALA 32 -12.958 15.049 2.890 211 HB3 ALA 32 2HB ALA 32 -12.046 13.992 3.969 212 H TYR 33 H TYR 33 -9.165 15.276 4.599 213 HA TYR 33 HA TYR 33 -8.891 18.195 4.552 214 HB2 TYR 33 1HB TYR 33 -7.563 17.554 6.767 215 HB3 TYR 33 2HB TYR 33 -9.317 17.701 6.748 216 HD1 TYR 33 2HD TYR 33 -6.642 15.143 6.239 217 HD2 TYR 33 1HD TYR 33 -10.584 15.968 7.611 218 HE1 TYR 33 2HE TYR 33 -6.838 12.829 7.050 219 HE2 TYR 33 1HE TYR 33 -10.791 13.657 8.427 220 HH TYR 33 HH TYR 33 -8.860 11.800 9.201 221 H ALA 34 H ALA 34 -7.612 17.633 2.483 222 HA ALA 34 HA ALA 34 -4.787 17.220 3.218 223 HB1 ALA 34 3HB ALA 34 -6.005 15.496 1.698 224 HB2 ALA 34 1HB ALA 34 -5.783 16.719 0.447 225 HB3 ALA 34 2HB ALA 34 -4.382 16.040 1.276 226 H ASN 35 H ASN 35 -3.261 18.611 2.384 227 HA ASN 35 HA ASN 35 -4.143 21.231 1.731 228 HB2 ASN 35 1HB ASN 35 -1.953 20.452 2.909 229 HB3 ASN 35 2HB ASN 35 -1.330 20.288 1.270 230 HD21 ASN 35 1HD2 ASN 35 -0.912 22.182 3.651 231 HD22 ASN 35 2HD2 ASN 35 -0.938 23.747 2.919 232 H GLY 36 H GLY 36 -5.385 21.050 -0.161 233 HA2 GLY 36 1HA GLY 36 -5.446 21.580 -2.448 234 HA3 GLY 36 2HA GLY 36 -3.780 21.041 -2.595 235 HA PRO 37 HA PRO 37 -6.535 17.828 -4.497 236 HB2 PRO 37 1HB PRO 37 -5.062 17.563 -6.761 237 HB3 PRO 37 2HB PRO 37 -6.336 18.775 -6.581 238 HG2 PRO 37 1HG PRO 37 -3.372 19.087 -6.300 239 HG3 PRO 37 2HG PRO 37 -4.538 20.153 -7.105 240 HD2 PRO 37 1HD PRO 37 -3.573 20.658 -4.626 241 HD3 PRO 37 2HD PRO 37 -5.214 21.119 -5.125 242 H VAL 38 H VAL 38 -5.530 15.763 -5.751 243 HA VAL 38 HA VAL 38 -3.159 14.853 -4.272 244 HB VAL 38 HB VAL 38 -5.726 13.289 -4.573 245 HG11 VAL 38 1HG1 VAL 38 -3.199 12.252 -4.578 246 HG12 VAL 38 2HG1 VAL 38 -3.615 12.205 -2.864 247 HG13 VAL 38 3HG1 VAL 38 -4.647 11.398 -4.045 248 HG21 VAL 38 3HG2 VAL 38 -5.983 14.848 -2.807 249 HG22 VAL 38 1HG2 VAL 38 -5.602 13.301 -2.051 250 HG23 VAL 38 2HG2 VAL 38 -4.355 14.540 -2.203 251 H GLN 39 H GLN 39 -1.848 14.927 -6.069 252 HA GLN 39 HA GLN 39 -2.321 14.293 -8.658 253 HB2 GLN 39 1HB GLN 39 0.110 13.725 -6.972 254 HB3 GLN 39 2HB GLN 39 0.082 13.411 -8.702 255 HG2 GLN 39 1HG GLN 39 -0.636 15.863 -8.932 256 HG3 GLN 39 2HG GLN 39 -0.080 16.031 -7.267 257 HE21 GLN 39 1HE2 GLN 39 0.825 16.664 -10.248 258 HE22 GLN 39 2HE2 GLN 39 2.532 16.425 -10.145 259 H GLY 40 H GLY 40 -1.520 11.961 -6.095 260 HA2 GLY 40 1HA GLY 40 -3.141 9.925 -7.203 261 HA3 GLY 40 2HA GLY 40 -1.466 9.651 -7.656 262 H TYR 41 H TYR 41 -1.022 7.869 -6.459 263 HA TYR 41 HA TYR 41 -0.757 8.266 -3.596 264 HB2 TYR 41 1HB TYR 41 -2.270 5.865 -4.630 265 HB3 TYR 41 2HB TYR 41 -1.996 6.314 -2.950 266 HD1 TYR 41 2HD TYR 41 -3.273 8.120 -1.921 267 HD2 TYR 41 1HD TYR 41 -3.967 6.970 -5.958 268 HE1 TYR 41 2HE TYR 41 -5.396 9.361 -1.902 269 HE2 TYR 41 1HE TYR 41 -6.092 8.210 -5.951 270 HH TYR 41 HH TYR 41 -7.749 9.014 -4.312 271 H ARG 42 H ARG 42 0.887 7.089 -2.701 272 HA ARG 42 HA ARG 42 2.420 5.402 -4.564 273 HB2 ARG 42 1HB ARG 42 3.216 7.376 -2.487 274 HB3 ARG 42 2HB ARG 42 4.250 5.970 -2.701 275 HG2 ARG 42 1HG ARG 42 4.677 6.524 -4.971 276 HG3 ARG 42 2HG ARG 42 3.431 7.774 -4.962 277 HD2 ARG 42 1HD ARG 42 4.793 8.911 -3.148 278 HD3 ARG 42 2HD ARG 42 6.084 7.778 -3.544 279 HE ARG 42 HE ARG 42 5.376 8.907 -5.935 280 HH11 ARG 42 1HH1 ARG 42 6.475 10.093 -2.852 281 HH12 ARG 42 2HH1 ARG 42 7.273 11.478 -3.523 282 HH21 ARG 42 1HH2 ARG 42 6.423 10.726 -6.830 283 HH22 ARG 42 2HH2 ARG 42 7.242 11.837 -5.785 284 H LEU 43 H LEU 43 3.002 3.369 -3.984 285 HA LEU 43 HA LEU 43 2.148 2.445 -1.319 286 HB2 LEU 43 1HB LEU 43 0.660 1.469 -2.853 287 HB3 LEU 43 2HB LEU 43 1.947 1.127 -4.007 288 HG LEU 43 HG LEU 43 2.829 -0.514 -2.243 289 HD11 LEU 43 1HD1 LEU 43 0.135 -0.952 -1.243 290 HD12 LEU 43 2HD1 LEU 43 0.821 0.585 -0.717 291 HD13 LEU 43 3HD1 LEU 43 1.674 -0.922 -0.382 292 HD21 LEU 43 3HD2 LEU 43 1.743 -1.134 -4.378 293 HD22 LEU 43 1HD2 LEU 43 0.182 -1.111 -3.557 294 HD23 LEU 43 2HD2 LEU 43 1.413 -2.278 -3.075 295 H PHE 44 H PHE 44 3.535 1.203 -0.154 296 HA PHE 44 HA PHE 44 6.083 0.453 -1.420 297 HB2 PHE 44 1HB PHE 44 5.806 1.585 1.371 298 HB3 PHE 44 2HB PHE 44 7.304 1.148 0.555 299 HD1 PHE 44 2HD PHE 44 7.856 2.418 -1.616 300 HD2 PHE 44 1HD PHE 44 5.004 3.751 1.249 301 HE1 PHE 44 2HE PHE 44 8.042 4.707 -2.500 302 HE2 PHE 44 1HE PHE 44 5.185 6.042 0.369 303 HZ PHE 44 HZ PHE 44 6.707 6.522 -1.507 304 H CYS 45 H CYS 45 6.168 -1.690 -1.412 305 HA CYS 45 HA CYS 45 4.996 -3.159 0.843 306 HB2 CYS 45 1HB CYS 45 4.143 -3.809 -1.342 307 HB3 CYS 45 2HB CYS 45 5.779 -4.093 -1.925 308 HG CYS 45 HG CYS 45 5.716 -5.982 0.595 309 H THR 46 H THR 46 6.233 -4.238 2.243 310 HA THR 46 HA THR 46 9.040 -4.761 1.532 311 HB THR 46 HB THR 46 8.108 -3.733 4.219 312 HG1 THR 46 1HG THR 46 9.886 -2.312 2.590 313 HG21 THR 46 3HG2 THR 46 10.218 -4.026 5.010 314 HG22 THR 46 1HG2 THR 46 10.964 -3.759 3.435 315 HG23 THR 46 2HG2 THR 46 10.230 -5.319 3.810 316 H GLU 47 H GLU 47 9.774 -6.742 2.046 317 HA GLU 47 HA GLU 47 7.895 -8.625 3.202 318 HB2 GLU 47 1HB GLU 47 9.198 -9.203 1.176 319 HB3 GLU 47 2HB GLU 47 10.679 -9.089 2.117 320 HG2 GLU 47 1HG GLU 47 10.002 -11.398 1.833 321 HG3 GLU 47 2HG GLU 47 9.937 -10.928 3.530 322 H VAL 48 H VAL 48 7.820 -8.980 5.310 323 HA VAL 48 HA VAL 48 9.786 -8.044 7.126 324 HB VAL 48 HB VAL 48 7.555 -10.022 7.616 325 HG11 VAL 48 1HG1 VAL 48 9.092 -8.319 9.575 326 HG12 VAL 48 2HG1 VAL 48 7.786 -9.443 9.956 327 HG13 VAL 48 3HG1 VAL 48 9.322 -10.050 9.336 328 HG21 VAL 48 3HG2 VAL 48 6.123 -8.275 8.028 329 HG22 VAL 48 1HG2 VAL 48 7.429 -7.150 8.401 330 HG23 VAL 48 2HG2 VAL 48 7.098 -7.593 6.726 331 H SER 49 H SER 49 9.184 -11.132 5.595 332 HA SER 49 HA SER 49 10.712 -12.790 7.242 333 HB2 SER 49 1HB SER 49 9.896 -12.904 4.359 334 HB3 SER 49 2HB SER 49 11.036 -14.093 4.988 335 HG SER 49 HG SER 49 8.941 -13.793 6.662 336 H THR 50 H THR 50 11.671 -11.061 4.282 337 HA THR 50 HA THR 50 14.481 -11.622 4.892 338 HB THR 50 HB THR 50 14.921 -10.675 2.619 339 HG1 THR 50 1HG THR 50 13.341 -9.682 1.637 340 HG21 THR 50 3HG2 THR 50 12.872 -12.877 2.492 341 HG22 THR 50 1HG2 THR 50 14.500 -13.132 3.119 342 HG23 THR 50 2HG2 THR 50 14.269 -12.624 1.446 343 H GLY 51 H GLY 51 12.465 -8.845 3.900 344 HA2 GLY 51 1HA GLY 51 12.601 -6.841 5.344 345 HA3 GLY 51 2HA GLY 51 14.336 -7.115 5.399 346 H LYS 52 H LYS 52 12.926 -7.757 2.372 347 HA LYS 52 HA LYS 52 14.303 -5.503 1.203 348 HB2 LYS 52 1HB LYS 52 12.631 -7.678 -0.070 349 HB3 LYS 52 2HB LYS 52 13.580 -6.487 -0.950 350 HG2 LYS 52 1HG LYS 52 15.621 -7.388 -0.134 351 HG3 LYS 52 2HG LYS 52 14.774 -8.422 1.019 352 HD2 LYS 52 1HD LYS 52 13.850 -9.746 -0.758 353 HD3 LYS 52 2HD LYS 52 14.481 -8.634 -1.976 354 HE2 LYS 52 1HE LYS 52 16.058 -10.304 -2.045 355 HE3 LYS 52 2HE LYS 52 16.783 -9.207 -0.871 356 HZ1 LYS 52 3HZ LYS 52 16.837 -10.907 0.528 357 HZ2 LYS 52 1HZ LYS 52 15.954 -11.894 -0.525 358 HZ3 LYS 52 2HZ LYS 52 15.146 -10.894 0.574 359 H GLU 53 H GLU 53 13.408 -3.734 0.234 360 HA GLU 53 HA GLU 53 10.499 -3.402 0.568 361 HB2 GLU 53 1HB GLU 53 11.763 -1.910 2.023 362 HB3 GLU 53 2HB GLU 53 12.684 -1.315 0.648 363 HG2 GLU 53 1HG GLU 53 10.638 -0.382 -0.314 364 HG3 GLU 53 2HG GLU 53 9.725 -0.967 1.075 365 H GLN 54 H GLN 54 9.296 -2.620 -1.111 366 HA GLN 54 HA GLN 54 10.695 -1.930 -3.597 367 HB2 GLN 54 1HB GLN 54 9.305 -3.350 -4.919 368 HB3 GLN 54 2HB GLN 54 9.966 -4.333 -3.620 369 HG2 GLN 54 1HG GLN 54 7.876 -4.173 -2.402 370 HG3 GLN 54 2HG GLN 54 7.209 -3.127 -3.654 371 HE21 GLN 54 1HE2 GLN 54 6.344 -5.760 -2.647 372 HE22 GLN 54 2HE2 GLN 54 6.262 -6.781 -4.039 373 H ASN 55 H ASN 55 9.921 -0.156 -4.547 374 HA ASN 55 HA ASN 55 7.539 1.088 -3.426 375 HB2 ASN 55 1HB ASN 55 9.124 2.386 -5.594 376 HB3 ASN 55 2HB ASN 55 8.365 3.103 -4.175 377 HD21 ASN 55 1HD2 ASN 55 9.690 3.755 -2.653 378 HD22 ASN 55 2HD2 ASN 55 11.288 3.163 -2.368 379 H ILE 56 H ILE 56 5.712 1.615 -4.581 380 HA ILE 56 HA ILE 56 5.563 0.815 -7.391 381 HB ILE 56 HB ILE 56 3.650 -0.158 -5.267 382 HG12 ILE 56 1HG1 ILE 56 5.210 -1.848 -7.205 383 HG13 ILE 56 2HG1 ILE 56 5.925 -1.324 -5.684 384 HG21 ILE 56 1HG2 ILE 56 2.338 -1.131 -7.001 385 HG22 ILE 56 2HG2 ILE 56 2.568 0.569 -7.405 386 HG23 ILE 56 3HG2 ILE 56 3.514 -0.668 -8.231 387 HD11 ILE 56 3HD1 ILE 56 3.417 -2.370 -5.026 388 HD12 ILE 56 1HD1 ILE 56 4.120 -3.484 -6.198 389 HD13 ILE 56 2HD1 ILE 56 5.000 -3.084 -4.722 390 H GLU 57 H GLU 57 4.075 1.947 -8.606 391 HA GLU 57 HA GLU 57 2.666 4.121 -7.201 392 HB2 GLU 57 1HB GLU 57 4.336 4.118 -9.657 393 HB3 GLU 57 2HB GLU 57 2.910 5.147 -9.665 394 HG2 GLU 57 1HG GLU 57 3.853 5.936 -7.351 395 HG3 GLU 57 2HG GLU 57 5.372 5.329 -8.009 396 H VAL 58 H VAL 58 0.594 3.498 -7.109 397 HA VAL 58 HA VAL 58 -0.642 2.408 -9.551 398 HB VAL 58 HB VAL 58 -2.344 1.405 -8.158 399 HG11 VAL 58 1HG1 VAL 58 0.358 0.814 -6.959 400 HG12 VAL 58 2HG1 VAL 58 -1.032 -0.269 -7.045 401 HG13 VAL 58 3HG1 VAL 58 -0.192 0.209 -8.521 402 HG21 VAL 58 3HG2 VAL 58 -2.756 1.928 -6.009 403 HG22 VAL 58 1HG2 VAL 58 -1.044 2.004 -5.594 404 HG23 VAL 58 2HG2 VAL 58 -1.825 3.381 -6.371 405 H ASP 59 H ASP 59 -3.032 2.937 -9.723 406 HA ASP 59 HA ASP 59 -3.606 5.663 -8.785 407 HB2 ASP 59 1HB ASP 59 -4.121 4.689 -11.603 408 HB3 ASP 59 2HB ASP 59 -4.446 6.301 -10.971 409 H GLY 60 H GLY 60 -5.869 6.214 -8.740 410 HA2 GLY 60 1HA GLY 60 -8.172 5.673 -8.837 411 HA3 GLY 60 2HA GLY 60 -7.741 3.979 -9.022 412 H LEU 61 H LEU 61 -9.257 3.448 -7.381 413 HA LEU 61 HA LEU 61 -8.239 3.985 -4.672 414 HB2 LEU 61 1HB LEU 61 -11.150 3.679 -5.369 415 HB3 LEU 61 2HB LEU 61 -10.460 4.139 -3.815 416 HG LEU 61 HG LEU 61 -10.396 5.813 -6.325 417 HD11 LEU 61 1HD1 LEU 61 -12.369 5.492 -4.217 418 HD12 LEU 61 2HD1 LEU 61 -12.495 6.314 -5.772 419 HD13 LEU 61 3HD1 LEU 61 -11.812 7.158 -4.382 420 HD21 LEU 61 3HD2 LEU 61 -9.485 7.552 -4.943 421 HD22 LEU 61 1HD2 LEU 61 -8.465 6.121 -4.794 422 HD23 LEU 61 2HD2 LEU 61 -9.599 6.533 -3.508 423 H SER 62 H SER 62 -7.683 1.751 -6.414 424 HA SER 62 HA SER 62 -8.055 -0.369 -4.601 425 HB2 SER 62 1HB SER 62 -9.597 -1.792 -5.836 426 HB3 SER 62 2HB SER 62 -10.385 -0.260 -5.459 427 HG SER 62 HG SER 62 -9.352 0.221 -7.729 428 H TYR 63 H TYR 63 -6.512 -1.842 -4.956 429 HA TYR 63 HA TYR 63 -5.528 -2.335 -7.648 430 HB2 TYR 63 1HB TYR 63 -4.183 -0.423 -6.797 431 HB3 TYR 63 2HB TYR 63 -3.664 -1.424 -5.446 432 HD1 TYR 63 2HD TYR 63 -2.168 -3.350 -5.834 433 HD2 TYR 63 1HD TYR 63 -3.228 -0.687 -8.978 434 HE1 TYR 63 2HE TYR 63 -0.296 -4.205 -7.182 435 HE2 TYR 63 1HE TYR 63 -1.360 -1.535 -10.335 436 HH TYR 63 HH TYR 63 0.548 -2.761 -10.280 437 H LYS 64 H LYS 64 -5.117 -4.428 -7.915 438 HA LYS 64 HA LYS 64 -4.991 -6.136 -5.538 439 HB2 LYS 64 1HB LYS 64 -6.643 -6.489 -7.495 440 HB3 LYS 64 2HB LYS 64 -5.251 -7.114 -8.369 441 HG2 LYS 64 1HG LYS 64 -4.934 -8.690 -6.387 442 HG3 LYS 64 2HG LYS 64 -6.567 -8.217 -5.913 443 HD2 LYS 64 1HD LYS 64 -7.222 -8.841 -8.321 444 HD3 LYS 64 2HD LYS 64 -5.668 -9.676 -8.377 445 HE2 LYS 64 1HE LYS 64 -6.354 -10.921 -6.323 446 HE3 LYS 64 2HE LYS 64 -7.949 -10.184 -6.472 447 HZ1 LYS 64 3HZ LYS 64 -7.556 -12.499 -7.475 448 HZ2 LYS 64 1HZ LYS 64 -6.778 -11.673 -8.730 449 HZ3 LYS 64 2HZ LYS 64 -8.405 -11.359 -8.392 450 H LEU 65 H LEU 65 -3.013 -6.591 -4.837 451 HA LEU 65 HA LEU 65 -0.724 -6.494 -6.583 452 HB2 LEU 65 1HB LEU 65 -1.012 -5.944 -3.994 453 HB3 LEU 65 2HB LEU 65 -0.527 -7.633 -3.851 454 HG LEU 65 HG LEU 65 1.434 -6.826 -5.438 455 HD11 LEU 65 1HD1 LEU 65 0.256 -4.343 -4.345 456 HD12 LEU 65 2HD1 LEU 65 1.144 -4.617 -5.844 457 HD13 LEU 65 3HD1 LEU 65 2.014 -4.477 -4.317 458 HD21 LEU 65 3HD2 LEU 65 2.710 -6.255 -3.309 459 HD22 LEU 65 1HD2 LEU 65 1.930 -7.836 -3.377 460 HD23 LEU 65 2HD2 LEU 65 1.188 -6.525 -2.459 461 H GLU 66 H GLU 66 0.646 -8.207 -7.119 462 HA GLU 66 HA GLU 66 -0.199 -10.918 -6.459 463 HB2 GLU 66 1HB GLU 66 0.251 -10.152 -9.339 464 HB3 GLU 66 2HB GLU 66 -0.390 -11.662 -8.707 465 HG2 GLU 66 1HG GLU 66 -2.410 -10.528 -7.984 466 HG3 GLU 66 2HG GLU 66 -1.766 -8.989 -8.554 467 H GLY 67 H GLY 67 1.409 -12.541 -7.019 468 HA2 GLY 67 1HA GLY 67 3.581 -13.238 -7.581 469 HA3 GLY 67 2HA GLY 67 4.052 -11.554 -7.757 470 H LEU 68 H LEU 68 2.365 -12.789 -4.948 471 HA LEU 68 HA LEU 68 4.717 -12.121 -3.327 472 HB2 LEU 68 1HB LEU 68 1.845 -12.520 -2.503 473 HB3 LEU 68 2HB LEU 68 3.163 -12.031 -1.440 474 HG LEU 68 HG LEU 68 2.614 -10.318 -3.799 475 HD11 LEU 68 1HD1 LEU 68 0.385 -10.471 -3.236 476 HD12 LEU 68 2HD1 LEU 68 0.916 -9.121 -2.234 477 HD13 LEU 68 3HD1 LEU 68 0.724 -10.723 -1.523 478 HD21 LEU 68 3HD2 LEU 68 3.616 -10.030 -1.003 479 HD22 LEU 68 1HD2 LEU 68 2.946 -8.626 -1.835 480 HD23 LEU 68 2HD2 LEU 68 4.331 -9.478 -2.519 481 H LYS 69 H LYS 69 4.521 -13.486 -1.107 482 HA LYS 69 HA LYS 69 4.971 -16.234 -1.943 483 HB2 LYS 69 1HB LYS 69 5.487 -14.759 0.639 484 HB3 LYS 69 2HB LYS 69 5.760 -16.486 0.455 485 HG2 LYS 69 1HG LYS 69 7.420 -16.096 -1.240 486 HG3 LYS 69 2HG LYS 69 7.077 -14.364 -1.226 487 HD2 LYS 69 1HD LYS 69 7.998 -14.095 0.925 488 HD3 LYS 69 2HD LYS 69 7.986 -15.833 1.235 489 HE2 LYS 69 1HE LYS 69 9.681 -16.128 -0.532 490 HE3 LYS 69 2HE LYS 69 9.720 -14.381 -0.762 491 HZ1 LYS 69 3HZ LYS 69 11.316 -15.761 0.919 492 HZ2 LYS 69 1HZ LYS 69 10.113 -15.202 1.968 493 HZ3 LYS 69 2HZ LYS 69 10.995 -14.104 1.032 494 H LYS 70 H LYS 70 3.704 -17.931 -1.458 495 HA LYS 70 HA LYS 70 1.110 -17.986 -1.082 496 HB2 LYS 70 1HB LYS 70 2.865 -19.934 -0.981 497 HB3 LYS 70 2HB LYS 70 2.626 -19.800 0.756 498 HG2 LYS 70 1HG LYS 70 1.163 -21.488 0.003 499 HG3 LYS 70 2HG LYS 70 0.162 -20.072 0.327 500 HD2 LYS 70 1HD LYS 70 -0.578 -20.988 -1.739 501 HD3 LYS 70 2HD LYS 70 0.330 -19.524 -2.123 502 HE2 LYS 70 1HE LYS 70 2.041 -20.675 -3.090 503 HE3 LYS 70 2HE LYS 70 1.829 -22.081 -2.049 504 HZ1 LYS 70 3HZ LYS 70 0.478 -21.406 -4.557 505 HZ2 LYS 70 1HZ LYS 70 -0.392 -22.277 -3.396 506 HZ3 LYS 70 2HZ LYS 70 1.055 -22.900 -4.011 507 H PHE 71 H PHE 71 3.005 -18.418 1.899 508 HA PHE 71 HA PHE 71 1.136 -16.600 3.262 509 HB2 PHE 71 1HB PHE 71 0.583 -18.981 3.744 510 HB3 PHE 71 2HB PHE 71 2.199 -19.189 4.410 511 HD1 PHE 71 1HD PHE 71 2.851 -17.573 6.337 512 HD2 PHE 71 2HD PHE 71 -1.153 -18.370 5.133 513 HE1 PHE 71 1HE PHE 71 2.043 -16.818 8.535 514 HE2 PHE 71 2HE PHE 71 -1.967 -17.615 7.328 515 HZ PHE 71 HZ PHE 71 -0.369 -16.837 9.033 516 H THR 72 H THR 72 2.436 -14.878 3.570 517 HA THR 72 HA THR 72 4.676 -15.202 5.389 518 HB THR 72 HB THR 72 5.029 -13.957 2.656 519 HG1 THR 72 1HG THR 72 5.238 -16.321 2.950 520 HG21 THR 72 3HG2 THR 72 6.832 -13.966 5.073 521 HG22 THR 72 1HG2 THR 72 6.185 -12.567 4.218 522 HG23 THR 72 2HG2 THR 72 7.389 -13.595 3.442 523 H GLU 73 H GLU 73 4.487 -13.694 6.900 524 HA GLU 73 HA GLU 73 2.606 -11.656 6.894 525 HB2 GLU 73 1HB GLU 73 3.568 -12.440 8.960 526 HB3 GLU 73 2HB GLU 73 5.171 -11.914 8.467 527 HG2 GLU 73 1HG GLU 73 4.597 -9.634 8.685 528 HG3 GLU 73 2HG GLU 73 2.881 -10.009 8.832 529 H TYR 74 H TYR 74 2.554 -10.200 5.277 530 HA TYR 74 HA TYR 74 5.029 -8.842 4.501 531 HB2 TYR 74 1HB TYR 74 2.346 -9.189 3.213 532 HB3 TYR 74 2HB TYR 74 3.375 -7.846 2.729 533 HD1 TYR 74 2HD TYR 74 5.836 -8.493 2.090 534 HD2 TYR 74 1HD TYR 74 2.579 -11.230 2.142 535 HE1 TYR 74 2HE TYR 74 7.070 -9.981 0.569 536 HE2 TYR 74 1HE TYR 74 3.804 -12.726 0.622 537 HH TYR 74 HH TYR 74 7.000 -11.841 -0.645 538 H SER 75 H SER 75 5.206 -6.582 4.478 539 HA SER 75 HA SER 75 3.193 -5.148 6.082 540 HB2 SER 75 1HB SER 75 5.366 -5.680 7.304 541 HB3 SER 75 2HB SER 75 6.155 -4.566 6.187 542 HG SER 75 HG SER 75 5.378 -2.962 7.291 543 H LEU 76 H LEU 76 2.198 -3.804 4.730 544 HA LEU 76 HA LEU 76 3.759 -2.465 2.637 545 HB2 LEU 76 1HB LEU 76 0.767 -2.468 2.902 546 HB3 LEU 76 2HB LEU 76 1.735 -2.097 1.477 547 HG LEU 76 HG LEU 76 1.532 -4.839 2.716 548 HD11 LEU 76 1HD1 LEU 76 -0.390 -3.424 1.184 549 HD12 LEU 76 2HD1 LEU 76 -0.426 -5.105 1.718 550 HD13 LEU 76 3HD1 LEU 76 0.300 -4.688 0.166 551 HD21 LEU 76 3HD2 LEU 76 2.638 -3.869 0.083 552 HD22 LEU 76 1HD2 LEU 76 2.478 -5.558 0.565 553 HD23 LEU 76 2HD2 LEU 76 3.568 -4.489 1.448 554 H ARG 77 H ARG 77 2.840 -0.190 2.107 555 HA ARG 77 HA ARG 77 1.972 1.307 4.432 556 HB2 ARG 77 1HB ARG 77 4.434 1.185 4.685 557 HB3 ARG 77 2HB ARG 77 4.615 1.930 3.103 558 HG2 ARG 77 1HG ARG 77 3.338 3.899 3.997 559 HG3 ARG 77 2HG ARG 77 3.468 3.159 5.594 560 HD2 ARG 77 1HD ARG 77 5.768 3.943 3.806 561 HD3 ARG 77 2HD ARG 77 5.224 4.819 5.236 562 HE ARG 77 HE ARG 77 5.830 2.142 5.904 563 HH11 ARG 77 1HH1 ARG 77 7.351 5.159 5.064 564 HH12 ARG 77 2HH1 ARG 77 8.811 4.815 5.932 565 HH21 ARG 77 1HH2 ARG 77 7.747 1.677 7.050 566 HH22 ARG 77 2HH2 ARG 77 9.035 2.834 7.060 567 H PHE 78 H PHE 78 0.413 2.569 3.685 568 HA PHE 78 HA PHE 78 0.632 3.617 0.943 569 HB2 PHE 78 1HB PHE 78 -1.367 2.116 1.828 570 HB3 PHE 78 2HB PHE 78 -1.951 3.661 2.439 571 HD1 PHE 78 1HD PHE 78 -0.896 1.888 -0.634 572 HD2 PHE 78 2HD PHE 78 -2.991 5.204 1.018 573 HE1 PHE 78 1HE PHE 78 -1.809 2.414 -2.857 574 HE2 PHE 78 2HE PHE 78 -3.908 5.736 -1.202 575 HZ PHE 78 HZ PHE 78 -3.318 4.340 -3.143 576 H LEU 79 H LEU 79 0.213 5.787 0.525 577 HA LEU 79 HA LEU 79 -0.479 7.606 2.643 578 HB2 LEU 79 1HB LEU 79 1.546 8.869 2.680 579 HB3 LEU 79 2HB LEU 79 1.931 7.186 3.035 580 HG LEU 79 HG LEU 79 2.477 7.101 0.465 581 HD11 LEU 79 1HD1 LEU 79 2.335 9.999 1.089 582 HD12 LEU 79 2HD1 LEU 79 1.978 9.142 -0.410 583 HD13 LEU 79 3HD1 LEU 79 3.652 9.437 0.059 584 HD21 LEU 79 3HD2 LEU 79 4.164 6.590 2.006 585 HD22 LEU 79 1HD2 LEU 79 4.168 8.220 2.678 586 HD23 LEU 79 2HD2 LEU 79 4.819 7.931 1.065 587 H ALA 80 H ALA 80 -0.625 9.851 1.871 588 HA ALA 80 HA ALA 80 -1.387 9.896 -0.956 589 HB1 ALA 80 3HB ALA 80 -2.558 10.943 1.384 590 HB2 ALA 80 1HB ALA 80 -2.052 12.319 0.404 591 HB3 ALA 80 2HB ALA 80 -3.125 11.097 -0.279 592 H TYR 81 H TYR 81 -0.675 11.499 -2.378 593 HA TYR 81 HA TYR 81 1.359 13.375 -1.497 594 HB2 TYR 81 1HB TYR 81 3.117 12.585 -2.837 595 HB3 TYR 81 2HB TYR 81 2.462 11.128 -2.097 596 HD1 TYR 81 1HD TYR 81 2.228 13.179 -5.202 597 HD2 TYR 81 2HD TYR 81 1.867 9.324 -3.438 598 HE1 TYR 81 1HE TYR 81 1.919 12.193 -7.434 599 HE2 TYR 81 2HE TYR 81 1.558 8.327 -5.665 600 HH TYR 81 HH TYR 81 1.889 10.245 -8.599 601 H ASN 82 H ASN 82 1.264 15.227 -2.616 602 HA ASN 82 HA ASN 82 -0.168 15.221 -5.190 603 HB2 ASN 82 1HB ASN 82 -1.285 17.263 -4.620 604 HB3 ASN 82 2HB ASN 82 -1.534 16.141 -3.285 605 HD21 ASN 82 1HD2 ASN 82 -0.615 16.555 -1.310 606 HD22 ASN 82 2HD2 ASN 82 0.131 18.064 -0.919 607 H ARG 83 H ARG 83 0.158 17.634 -6.141 608 HA ARG 83 HA ARG 83 2.539 17.842 -7.319 609 HB2 ARG 83 1HB ARG 83 2.213 20.251 -7.540 610 HB3 ARG 83 2HB ARG 83 0.687 19.399 -7.736 611 HG2 ARG 83 1HG ARG 83 0.393 19.897 -5.200 612 HG3 ARG 83 2HG ARG 83 1.609 21.141 -5.499 613 HD2 ARG 83 1HD ARG 83 -0.709 20.951 -7.354 614 HD3 ARG 83 2HD ARG 83 -0.975 21.635 -5.750 615 HE ARG 83 HE ARG 83 1.227 22.942 -6.710 616 HH11 ARG 83 1HH1 ARG 83 -2.045 22.466 -7.801 617 HH12 ARG 83 2HH1 ARG 83 -2.124 23.980 -8.639 618 HH21 ARG 83 1HH2 ARG 83 1.135 24.938 -7.810 619 HH22 ARG 83 2HH2 ARG 83 -0.314 25.385 -8.645 620 H TYR 84 H TYR 84 1.860 18.957 -4.039 621 HA TYR 84 HA TYR 84 4.379 20.162 -3.581 622 HB2 TYR 84 1HB TYR 84 2.498 18.981 -1.531 623 HB3 TYR 84 2HB TYR 84 3.752 20.180 -1.239 624 HD1 TYR 84 1HD TYR 84 3.258 21.934 -3.639 625 HD2 TYR 84 2HD TYR 84 0.580 20.166 -0.846 626 HE1 TYR 84 1HE TYR 84 1.638 23.735 -4.062 627 HE2 TYR 84 2HE TYR 84 -1.049 21.962 -1.262 628 HH TYR 84 HH TYR 84 -1.547 23.745 -2.500 629 H GLY 85 H GLY 85 3.076 17.027 -2.472 630 HA2 GLY 85 1HA GLY 85 5.073 15.337 -3.082 631 HA3 GLY 85 2HA GLY 85 5.726 16.160 -1.674 632 HA PRO 86 HA PRO 86 3.166 12.462 -0.364 633 HB2 PRO 86 1HB PRO 86 5.145 11.234 1.031 634 HB3 PRO 86 2HB PRO 86 4.874 10.962 -0.694 635 HG2 PRO 86 1HG PRO 86 6.871 12.739 0.653 636 HG3 PRO 86 2HG PRO 86 7.092 11.659 -0.737 637 HD2 PRO 86 1HD PRO 86 6.755 14.332 -1.008 638 HD3 PRO 86 2HD PRO 86 6.172 13.169 -2.216 639 H GLY 87 H GLY 87 1.933 12.860 1.358 640 HA2 GLY 87 1HA GLY 87 2.969 14.542 3.509 641 HA3 GLY 87 2HA GLY 87 1.287 14.103 3.249 642 H VAL 88 H VAL 88 0.832 13.361 5.278 643 HA VAL 88 HA VAL 88 2.504 11.695 6.813 644 HB VAL 88 HB VAL 88 -0.501 11.983 6.948 645 HG11 VAL 88 1HG1 VAL 88 0.501 9.952 8.061 646 HG12 VAL 88 2HG1 VAL 88 1.357 11.065 9.130 647 HG13 VAL 88 3HG1 VAL 88 -0.407 11.034 9.117 648 HG21 VAL 88 3HG2 VAL 88 -0.163 13.993 7.831 649 HG22 VAL 88 1HG2 VAL 88 0.887 13.292 9.064 650 HG23 VAL 88 2HG2 VAL 88 1.566 13.827 7.526 651 H SER 89 H SER 89 2.597 9.498 7.086 652 HA SER 89 HA SER 89 1.287 7.905 4.991 653 HB2 SER 89 1HB SER 89 3.078 6.327 5.194 654 HB3 SER 89 2HB SER 89 3.813 7.929 5.130 655 HG SER 89 HG SER 89 4.368 7.781 7.199 656 H THR 90 H THR 90 0.501 5.780 5.539 657 HA THR 90 HA THR 90 -0.856 5.778 8.099 658 HB THR 90 HB THR 90 -1.967 3.714 7.231 659 HG1 THR 90 1HG THR 90 -1.301 2.828 5.412 660 HG21 THR 90 3HG2 THR 90 -2.894 5.048 5.096 661 HG22 THR 90 1HG2 THR 90 -2.067 6.368 5.922 662 HG23 THR 90 2HG2 THR 90 -3.334 5.464 6.751 663 H ASP 91 H ASP 91 -0.835 3.970 9.551 664 HA ASP 91 HA ASP 91 1.728 3.088 10.245 665 HB2 ASP 91 1HB ASP 91 0.652 1.718 11.911 666 HB3 ASP 91 2HB ASP 91 -0.226 3.241 11.796 667 H ASP 92 H ASP 92 2.889 1.285 9.820 668 HA ASP 92 HA ASP 92 2.798 -0.077 7.510 669 HB2 ASP 92 1HB ASP 92 3.495 -1.495 10.082 670 HB3 ASP 92 2HB ASP 92 4.168 -1.774 8.478 671 H ILE 93 H ILE 93 1.242 -1.162 6.518 672 HA ILE 93 HA ILE 93 -0.881 -2.428 8.034 673 HB ILE 93 HB ILE 93 -0.479 -2.228 5.047 674 HG12 ILE 93 1HG1 ILE 93 -2.385 -0.691 6.818 675 HG13 ILE 93 2HG1 ILE 93 -0.826 -0.066 6.292 676 HG21 ILE 93 1HG2 ILE 93 -3.191 -2.612 5.766 677 HG22 ILE 93 2HG2 ILE 93 -2.143 -3.676 4.830 678 HG23 ILE 93 3HG2 ILE 93 -2.236 -3.849 6.583 679 HD11 ILE 93 3HD1 ILE 93 -2.202 -0.970 3.995 680 HD12 ILE 93 1HD1 ILE 93 -3.320 0.007 4.948 681 HD13 ILE 93 2HD1 ILE 93 -1.770 0.680 4.442 682 H THR 94 H THR 94 -0.165 -4.283 8.962 683 HA THR 94 HA THR 94 1.419 -6.185 7.452 684 HB THR 94 HB THR 94 0.252 -6.527 10.219 685 HG1 THR 94 1HG THR 94 2.346 -4.995 9.307 686 HG21 THR 94 3HG2 THR 94 0.958 -8.623 9.305 687 HG22 THR 94 1HG2 THR 94 2.192 -8.101 10.451 688 HG23 THR 94 2HG2 THR 94 2.466 -7.923 8.718 689 H VAL 95 H VAL 95 0.475 -7.533 6.077 690 HA VAL 95 HA VAL 95 -2.068 -8.787 6.857 691 HB VAL 95 HB VAL 95 -1.409 -7.744 4.099 692 HG11 VAL 95 1HG1 VAL 95 -2.890 -9.962 4.676 693 HG12 VAL 95 2HG1 VAL 95 -4.122 -8.699 4.640 694 HG13 VAL 95 3HG1 VAL 95 -3.083 -8.960 3.238 695 HG21 VAL 95 3HG2 VAL 95 -2.314 -6.275 6.159 696 HG22 VAL 95 1HG2 VAL 95 -2.767 -5.977 4.481 697 HG23 VAL 95 2HG2 VAL 95 -3.844 -6.891 5.536 698 H VAL 96 H VAL 96 -1.551 -10.854 7.183 699 HA VAL 96 HA VAL 96 0.593 -12.155 5.791 700 HB VAL 96 HB VAL 96 -1.523 -13.386 7.561 701 HG11 VAL 96 1HG1 VAL 96 0.790 -14.444 6.118 702 HG12 VAL 96 2HG1 VAL 96 0.755 -14.871 7.831 703 HG13 VAL 96 3HG1 VAL 96 -0.610 -15.281 6.790 704 HG21 VAL 96 3HG2 VAL 96 0.282 -13.269 9.304 705 HG22 VAL 96 1HG2 VAL 96 1.171 -12.206 8.212 706 HG23 VAL 96 2HG2 VAL 96 -0.404 -11.713 8.835 707 H THR 97 H THR 97 0.463 -13.000 3.830 708 HA THR 97 HA THR 97 -1.867 -13.175 2.306 709 HB THR 97 HB THR 97 -0.464 -14.791 0.863 710 HG1 THR 97 1HG THR 97 1.494 -15.267 1.553 711 HG21 THR 97 3HG2 THR 97 -0.596 -12.591 0.099 712 HG22 THR 97 1HG2 THR 97 1.139 -12.850 0.275 713 HG23 THR 97 2HG2 THR 97 0.253 -11.949 1.505 714 H LEU 98 H LEU 98 -3.085 -14.964 1.575 715 HA LEU 98 HA LEU 98 -3.856 -16.785 3.553 716 HB2 LEU 98 1HB LEU 98 -4.257 -17.211 0.606 717 HB3 LEU 98 2HB LEU 98 -5.280 -17.758 1.933 718 HG LEU 98 HG LEU 98 -4.973 -14.944 0.897 719 HD11 LEU 98 1HD1 LEU 98 -7.332 -15.146 0.384 720 HD12 LEU 98 2HD1 LEU 98 -7.359 -16.780 1.045 721 HD13 LEU 98 3HD1 LEU 98 -6.424 -16.434 -0.409 722 HD21 LEU 98 3HD2 LEU 98 -7.050 -15.152 2.806 723 HD22 LEU 98 1HD2 LEU 98 -5.584 -14.175 2.884 724 HD23 LEU 98 2HD2 LEU 98 -5.587 -15.813 3.537 725 H SER 99 H SER 99 -4.058 -19.270 2.596 726 HA SER 99 HA SER 99 -1.414 -20.176 1.754 727 HB2 SER 99 1HB SER 99 -1.207 -20.190 4.166 728 HB3 SER 99 2HB SER 99 -2.741 -21.042 4.334 729 HG SER 99 HG SER 99 -1.440 -22.596 2.804 730 H ASP 100 H ASP 100 -1.868 -21.359 0.023 731 HA ASP 100 HA ASP 100 -4.331 -22.536 -0.571 732 HB2 ASP 100 1HB ASP 100 -2.243 -22.029 -2.077 733 HB3 ASP 100 2HB ASP 100 -1.787 -23.680 -1.664 734 H SER 101 H SER 101 -5.311 -24.143 0.449 735 HA SER 101 HA SER 101 -3.973 -25.915 2.218 736 HB2 SER 101 1HB SER 101 -6.162 -27.018 2.438 737 HB3 SER 101 2HB SER 101 -6.322 -25.265 2.547 738 HG SER 101 HG SER 101 -7.100 -27.005 0.491 739 H GLY 102 H GLY 102 -2.695 -27.525 1.606 740 HA2 GLY 102 1HA GLY 102 -2.341 -29.667 0.676 741 HA3 GLY 102 2HA GLY 102 -3.624 -29.349 -0.484 742 HA PRO 103 HA PRO 103 0.453 -27.168 -2.006 743 HB2 PRO 103 1HB PRO 103 2.735 -28.240 -1.000 744 HB3 PRO 103 2HB PRO 103 1.910 -26.865 -0.255 745 HG2 PRO 103 1HG PRO 103 1.818 -29.762 0.493 746 HG3 PRO 103 2HG PRO 103 1.946 -28.339 1.543 747 HD2 PRO 103 1HD PRO 103 -0.390 -29.649 1.145 748 HD3 PRO 103 2HD PRO 103 -0.314 -27.900 1.436 749 H SER 104 H SER 104 0.783 -30.592 -1.085 750 HA SER 104 HA SER 104 1.854 -31.217 -3.727 751 HB2 SER 104 1HB SER 104 2.705 -32.157 -1.434 752 HB3 SER 104 2HB SER 104 1.353 -33.277 -1.603 753 HG SER 104 HG SER 104 3.525 -33.855 -2.533 754 H SER 105 H SER 105 0.022 -30.931 -5.018 755 HA SER 105 HA SER 105 -1.639 -33.214 -5.297 756 HB2 SER 105 1HB SER 105 -3.784 -32.317 -4.725 757 HB3 SER 105 2HB SER 105 -2.729 -32.037 -3.340 758 HG SER 105 HG SER 105 -4.069 -30.250 -4.819 759 H GLY 106 H GLY 106 -2.801 -33.214 -7.241 760 HA2 GLY 106 1HA GLY 106 -3.147 -32.666 -9.443 761 HA3 GLY 106 2HA GLY 106 -3.335 -31.017 -8.866 Start of MODEL 19 1 H1 GLY 1 H GLY 1 10.808 28.658 6.861 2 HA2 GLY 1 1HA GLY 1 10.437 25.797 7.233 3 HA3 GLY 1 2HA GLY 1 9.148 26.816 7.857 4 H SER 2 H SER 2 7.706 25.810 6.370 5 HA SER 2 HA SER 2 8.084 26.675 3.578 6 HB2 SER 2 1HB SER 2 6.672 24.803 2.906 7 HB3 SER 2 2HB SER 2 8.018 24.215 3.882 8 HG SER 2 HG SER 2 6.196 23.243 4.665 9 H SER 3 H SER 3 6.694 28.108 2.781 10 HA SER 3 HA SER 3 4.125 28.494 4.172 11 HB2 SER 3 1HB SER 3 4.345 30.932 3.556 12 HB3 SER 3 2HB SER 3 5.503 30.368 4.760 13 HG SER 3 HG SER 3 6.718 31.458 3.322 14 H GLY 4 H GLY 4 3.222 27.060 2.572 15 HA2 GLY 4 1HA GLY 4 1.667 28.018 0.668 16 HA3 GLY 4 2HA GLY 4 3.204 28.031 -0.185 17 H SER 5 H SER 5 4.427 25.797 0.232 18 HA SER 5 HA SER 5 2.599 23.780 -0.811 19 HB2 SER 5 1HB SER 5 4.691 22.525 -1.338 20 HB3 SER 5 2HB SER 5 4.640 24.127 -2.073 21 HG SER 5 HG SER 5 6.367 24.613 -0.998 22 H SER 6 H SER 6 1.702 22.354 0.506 23 HA SER 6 HA SER 6 3.228 21.445 2.855 24 HB2 SER 6 1HB SER 6 0.409 22.421 2.673 25 HB3 SER 6 2HB SER 6 0.781 21.138 3.823 26 HG SER 6 HG SER 6 1.755 23.779 3.731 27 H GLY 7 H GLY 7 2.229 19.356 3.763 28 HA2 GLY 7 1HA GLY 7 1.908 17.527 1.495 29 HA3 GLY 7 2HA GLY 7 2.373 17.075 3.129 30 HA PRO 8 HA PRO 8 -2.382 16.893 2.261 31 HB2 PRO 8 1HB PRO 8 -2.661 14.512 0.985 32 HB3 PRO 8 2HB PRO 8 -2.478 16.047 0.127 33 HG2 PRO 8 1HG PRO 8 -0.423 13.953 0.724 34 HG3 PRO 8 2HG PRO 8 -0.692 14.862 -0.775 35 HD2 PRO 8 1HD PRO 8 1.259 15.506 0.989 36 HD3 PRO 8 2HD PRO 8 0.421 16.724 0.006 37 H GLY 9 H GLY 9 -3.793 15.615 3.509 38 HA2 GLY 9 1HA GLY 9 -2.548 14.257 5.699 39 HA3 GLY 9 2HA GLY 9 -4.275 14.447 5.438 40 HA PRO 10 HA PRO 10 -2.812 10.016 4.636 41 HB2 PRO 10 1HB PRO 10 -4.035 8.856 6.764 42 HB3 PRO 10 2HB PRO 10 -2.385 9.485 6.831 43 HG2 PRO 10 1HG PRO 10 -4.933 10.747 7.768 44 HG3 PRO 10 2HG PRO 10 -3.350 10.694 8.567 45 HD2 PRO 10 1HD PRO 10 -4.228 12.870 7.214 46 HD3 PRO 10 2HD PRO 10 -2.511 12.425 7.297 47 H VAL 11 H VAL 11 -4.055 8.763 3.373 48 HA VAL 11 HA VAL 11 -6.613 9.488 2.572 49 HB VAL 11 HB VAL 11 -6.767 7.316 1.474 50 HG11 VAL 11 1HG1 VAL 11 -3.889 8.003 1.168 51 HG12 VAL 11 2HG1 VAL 11 -5.119 7.711 -0.063 52 HG13 VAL 11 3HG1 VAL 11 -5.090 9.243 0.812 53 HG21 VAL 11 3HG2 VAL 11 -4.330 6.608 3.105 54 HG22 VAL 11 1HG2 VAL 11 -5.936 5.891 3.241 55 HG23 VAL 11 2HG2 VAL 11 -4.979 5.639 1.782 56 H GLU 12 H GLU 12 -8.604 8.130 2.729 57 HA GLU 12 HA GLU 12 -8.930 7.115 5.477 58 HB2 GLU 12 1HB GLU 12 -11.076 8.349 3.745 59 HB3 GLU 12 2HB GLU 12 -11.213 7.894 5.438 60 HG2 GLU 12 1HG GLU 12 -9.183 9.597 5.649 61 HG3 GLU 12 2HG GLU 12 -9.943 10.261 4.204 62 H ASN 13 H ASN 13 -11.090 5.735 5.542 63 HA ASN 13 HA ASN 13 -11.782 3.580 5.151 64 HB2 ASN 13 1HB ASN 13 -12.196 5.071 2.577 65 HB3 ASN 13 2HB ASN 13 -12.663 3.378 2.710 66 HD21 ASN 13 1HD2 ASN 13 -14.237 5.871 2.375 67 HD22 ASN 13 2HD2 ASN 13 -15.401 5.842 3.652 68 H LEU 14 H LEU 14 -8.995 3.714 5.082 69 HA LEU 14 HA LEU 14 -8.113 2.231 2.743 70 HB2 LEU 14 1HB LEU 14 -6.554 3.830 3.443 71 HB3 LEU 14 2HB LEU 14 -6.736 3.391 5.140 72 HG LEU 14 HG LEU 14 -5.718 1.097 4.234 73 HD11 LEU 14 1HD1 LEU 14 -5.052 1.252 2.118 74 HD12 LEU 14 2HD1 LEU 14 -3.783 2.331 2.695 75 HD13 LEU 14 3HD1 LEU 14 -5.298 2.998 2.087 76 HD21 LEU 14 3HD2 LEU 14 -4.876 3.138 5.830 77 HD22 LEU 14 1HD2 LEU 14 -3.627 3.117 4.584 78 HD23 LEU 14 2HD2 LEU 14 -3.967 1.659 5.516 79 H GLN 15 H GLN 15 -7.955 0.088 2.640 80 HA GLN 15 HA GLN 15 -7.463 -1.512 4.987 81 HB2 GLN 15 1HB GLN 15 -10.125 -1.508 3.601 82 HB3 GLN 15 2HB GLN 15 -9.530 -2.967 4.382 83 HG2 GLN 15 1HG GLN 15 -9.205 -1.464 6.446 84 HG3 GLN 15 2HG GLN 15 -10.282 -0.348 5.609 85 HE21 GLN 15 1HE2 GLN 15 -12.425 -0.750 5.565 86 HE22 GLN 15 2HE2 GLN 15 -13.177 -2.106 6.326 87 H ALA 16 H ALA 16 -6.485 -3.416 4.499 88 HA ALA 16 HA ALA 16 -6.407 -4.221 1.669 89 HB1 ALA 16 3HB ALA 16 -4.309 -3.353 1.751 90 HB2 ALA 16 1HB ALA 16 -4.155 -3.595 3.491 91 HB3 ALA 16 2HB ALA 16 -3.956 -4.958 2.389 92 H VAL 17 H VAL 17 -6.629 -6.355 1.282 93 HA VAL 17 HA VAL 17 -6.141 -8.314 3.361 94 HB VAL 17 HB VAL 17 -8.413 -7.665 3.909 95 HG11 VAL 17 1HG1 VAL 17 -10.091 -8.436 1.939 96 HG12 VAL 17 2HG1 VAL 17 -9.549 -6.774 2.177 97 HG13 VAL 17 3HG1 VAL 17 -8.749 -7.802 0.987 98 HG21 VAL 17 3HG2 VAL 17 -8.141 -10.339 2.553 99 HG22 VAL 17 1HG2 VAL 17 -7.957 -9.964 4.267 100 HG23 VAL 17 2HG2 VAL 17 -9.549 -9.883 3.512 101 H SER 18 H SER 18 -5.664 -10.303 2.555 102 HA SER 18 HA SER 18 -5.430 -10.502 -0.339 103 HB2 SER 18 1HB SER 18 -3.494 -11.095 1.069 104 HB3 SER 18 2HB SER 18 -4.444 -12.370 1.832 105 HG SER 18 HG SER 18 -3.463 -12.215 -0.803 106 H THR 19 H THR 19 -6.733 -11.668 -1.592 107 HA THR 19 HA THR 19 -8.711 -13.411 -0.287 108 HB THR 19 HB THR 19 -10.192 -13.032 -2.097 109 HG1 THR 19 1HG THR 19 -7.865 -12.423 -3.441 110 HG21 THR 19 3HG2 THR 19 -10.113 -11.159 -0.565 111 HG22 THR 19 1HG2 THR 19 -10.356 -10.561 -2.206 112 HG23 THR 19 2HG2 THR 19 -8.765 -10.449 -1.453 113 H SER 20 H SER 20 -5.951 -14.169 -1.010 114 HA SER 20 HA SER 20 -6.483 -16.715 -2.096 115 HB2 SER 20 1HB SER 20 -5.967 -14.622 -4.025 116 HB3 SER 20 2HB SER 20 -4.709 -15.857 -4.097 117 HG SER 20 HG SER 20 -6.120 -16.950 -5.196 118 HA PRO 21 HA PRO 21 -2.573 -18.050 -0.620 119 HB2 PRO 21 1HB PRO 21 -1.520 -18.306 -3.400 120 HB3 PRO 21 2HB PRO 21 -1.523 -19.486 -2.084 121 HG2 PRO 21 1HG PRO 21 -3.257 -19.659 -4.120 122 HG3 PRO 21 2HG PRO 21 -3.714 -20.107 -2.466 123 HD2 PRO 21 1HD PRO 21 -4.469 -17.739 -4.062 124 HD3 PRO 21 2HD PRO 21 -5.355 -18.570 -2.768 125 H THR 22 H THR 22 -2.044 -16.050 -3.529 126 HA THR 22 HA THR 22 -0.209 -14.379 -1.957 127 HB THR 22 HB THR 22 1.404 -14.261 -3.726 128 HG1 THR 22 1HG THR 22 1.025 -15.664 -5.627 129 HG21 THR 22 3HG2 THR 22 1.909 -16.797 -4.023 130 HG22 THR 22 1HG2 THR 22 0.553 -17.016 -2.917 131 HG23 THR 22 2HG2 THR 22 1.965 -16.088 -2.409 132 H SER 23 H SER 23 -1.732 -12.741 -1.808 133 HA SER 23 HA SER 23 -1.870 -10.964 -4.033 134 HB2 SER 23 1HB SER 23 -4.334 -10.941 -4.266 135 HB3 SER 23 2HB SER 23 -3.641 -12.491 -4.741 136 HG SER 23 HG SER 23 -5.545 -12.561 -3.329 137 H ILE 24 H ILE 24 -3.359 -9.052 -3.483 138 HA ILE 24 HA ILE 24 -3.958 -8.623 -0.711 139 HB ILE 24 HB ILE 24 -1.663 -7.082 -1.929 140 HG12 ILE 24 1HG1 ILE 24 -1.811 -9.090 0.324 141 HG13 ILE 24 2HG1 ILE 24 -0.898 -9.229 -1.175 142 HG21 ILE 24 1HG2 ILE 24 -2.639 -5.463 -0.651 143 HG22 ILE 24 2HG2 ILE 24 -3.374 -6.623 0.455 144 HG23 ILE 24 3HG2 ILE 24 -1.654 -6.252 0.582 145 HD11 ILE 24 3HD1 ILE 24 0.332 -7.119 -0.332 146 HD12 ILE 24 1HD1 ILE 24 -0.326 -7.574 1.239 147 HD13 ILE 24 2HD1 ILE 24 0.725 -8.689 0.366 148 H LEU 25 H LEU 25 -5.927 -7.800 -1.089 149 HA LEU 25 HA LEU 25 -6.358 -5.895 -3.236 150 HB2 LEU 25 1HB LEU 25 -7.954 -7.759 -2.614 151 HB3 LEU 25 2HB LEU 25 -8.351 -6.817 -1.179 152 HG LEU 25 HG LEU 25 -9.151 -4.991 -2.634 153 HD11 LEU 25 1HD1 LEU 25 -7.725 -6.339 -4.611 154 HD12 LEU 25 2HD1 LEU 25 -8.765 -4.931 -4.819 155 HD13 LEU 25 3HD1 LEU 25 -9.422 -6.552 -5.041 156 HD21 LEU 25 3HD2 LEU 25 -10.329 -7.638 -2.381 157 HD22 LEU 25 1HD2 LEU 25 -10.947 -6.743 -3.768 158 HD23 LEU 25 2HD2 LEU 25 -11.055 -6.047 -2.151 159 H ILE 26 H ILE 26 -5.497 -3.945 -2.750 160 HA ILE 26 HA ILE 26 -6.003 -2.775 -0.118 161 HB ILE 26 HB ILE 26 -4.358 -1.580 -2.344 162 HG12 ILE 26 1HG1 ILE 26 -3.106 -2.997 -0.033 163 HG13 ILE 26 2HG1 ILE 26 -3.724 -3.963 -1.368 164 HG21 ILE 26 1HG2 ILE 26 -4.162 -1.130 0.624 165 HG22 ILE 26 2HG2 ILE 26 -3.417 -0.193 -0.669 166 HG23 ILE 26 3HG2 ILE 26 -5.164 -0.141 -0.438 167 HD11 ILE 26 3HD1 ILE 26 -1.248 -2.670 -1.172 168 HD12 ILE 26 1HD1 ILE 26 -1.914 -3.536 -2.556 169 HD13 ILE 26 2HD1 ILE 26 -2.171 -1.798 -2.396 170 H THR 27 H THR 27 -7.902 -1.777 0.058 171 HA THR 27 HA THR 27 -8.860 -0.161 -2.210 172 HB THR 27 HB THR 27 -11.106 -0.338 -1.235 173 HG1 THR 27 1HG THR 27 -9.714 -1.804 0.756 174 HG21 THR 27 3HG2 THR 27 -10.028 -2.129 -2.776 175 HG22 THR 27 1HG2 THR 27 -11.556 -2.494 -1.976 176 HG23 THR 27 2HG2 THR 27 -10.046 -3.139 -1.330 177 H TRP 28 H TRP 28 -8.012 1.829 -1.860 178 HA TRP 28 HA TRP 28 -8.414 3.042 0.790 179 HB2 TRP 28 1HB TRP 28 -6.651 4.618 0.197 180 HB3 TRP 28 2HB TRP 28 -6.076 2.965 -0.004 181 HD1 TRP 28 HD TRP 28 -6.486 6.185 -1.857 182 HE1 TRP 28 1HE TRP 28 -5.748 5.888 -4.304 183 HE3 TRP 28 3HE TRP 28 -6.116 1.088 -1.980 184 HZ2 TRP 28 2HZ TRP 28 -5.096 3.773 -6.056 185 HZ3 TRP 28 3HZ TRP 28 -5.429 0.006 -4.081 186 HH2 TRP 28 HH TRP 28 -4.931 1.322 -6.075 187 H GLU 29 H GLU 29 -8.615 5.558 0.565 188 HA GLU 29 HA GLU 29 -10.313 6.304 -1.691 189 HB2 GLU 29 1HB GLU 29 -11.200 6.020 1.126 190 HB3 GLU 29 2HB GLU 29 -11.761 7.446 0.263 191 HG2 GLU 29 1HG GLU 29 -12.350 5.636 -1.580 192 HG3 GLU 29 2HG GLU 29 -12.410 4.588 -0.164 193 HA PRO 30 HA PRO 30 -8.402 10.240 -1.382 194 HB2 PRO 30 1HB PRO 30 -10.437 11.950 -1.937 195 HB3 PRO 30 2HB PRO 30 -9.693 10.913 -3.160 196 HG2 PRO 30 1HG PRO 30 -12.237 10.516 -1.633 197 HG3 PRO 30 2HG PRO 30 -11.911 10.242 -3.355 198 HD2 PRO 30 1HD PRO 30 -11.970 8.229 -1.545 199 HD3 PRO 30 2HD PRO 30 -10.911 8.201 -2.970 200 HA PRO 31 HA PRO 31 -9.110 11.485 2.841 201 HB2 PRO 31 1HB PRO 31 -7.108 13.315 2.941 202 HB3 PRO 31 2HB PRO 31 -6.822 11.573 3.034 203 HG2 PRO 31 1HG PRO 31 -6.564 13.412 0.686 204 HG3 PRO 31 2HG PRO 31 -5.485 12.106 1.208 205 HD2 PRO 31 1HD PRO 31 -7.268 11.804 -0.806 206 HD3 PRO 31 2HD PRO 31 -6.805 10.468 0.267 207 H ALA 32 H ALA 32 -10.371 13.016 3.732 208 HA ALA 32 HA ALA 32 -11.419 15.114 2.064 209 HB1 ALA 32 3HB ALA 32 -12.341 13.668 4.272 210 HB2 ALA 32 1HB ALA 32 -12.218 15.341 4.816 211 HB3 ALA 32 2HB ALA 32 -13.187 14.943 3.396 212 H TYR 33 H TYR 33 -9.337 14.896 4.907 213 HA TYR 33 HA TYR 33 -9.000 17.800 4.926 214 HB2 TYR 33 1HB TYR 33 -7.489 17.103 6.971 215 HB3 TYR 33 2HB TYR 33 -9.242 17.144 7.123 216 HD1 TYR 33 2HD TYR 33 -6.345 14.895 6.614 217 HD2 TYR 33 1HD TYR 33 -10.469 15.183 7.619 218 HE1 TYR 33 2HE TYR 33 -6.334 12.537 7.312 219 HE2 TYR 33 1HE TYR 33 -10.469 12.826 8.321 220 HH TYR 33 HH TYR 33 -9.044 11.093 8.950 221 H ALA 34 H ALA 34 -7.925 17.431 2.737 222 HA ALA 34 HA ALA 34 -5.042 16.992 3.167 223 HB1 ALA 34 3HB ALA 34 -6.145 15.193 1.821 224 HB2 ALA 34 1HB ALA 34 -6.506 16.413 0.598 225 HB3 ALA 34 2HB ALA 34 -4.830 16.030 0.996 226 H ASN 35 H ASN 35 -3.644 18.461 2.283 227 HA ASN 35 HA ASN 35 -4.650 21.055 1.723 228 HB2 ASN 35 1HB ASN 35 -2.372 20.373 2.744 229 HB3 ASN 35 2HB ASN 35 -1.849 20.169 1.075 230 HD21 ASN 35 1HD2 ASN 35 -0.978 21.870 0.151 231 HD22 ASN 35 2HD2 ASN 35 -1.208 23.516 0.623 232 H GLY 36 H GLY 36 -6.079 20.573 -0.070 233 HA2 GLY 36 1HA GLY 36 -6.397 21.122 -2.333 234 HA3 GLY 36 2HA GLY 36 -4.681 20.865 -2.613 235 HA PRO 37 HA PRO 37 -6.913 17.274 -4.456 236 HB2 PRO 37 1HB PRO 37 -5.369 17.177 -6.687 237 HB3 PRO 37 2HB PRO 37 -6.789 18.221 -6.545 238 HG2 PRO 37 1HG PRO 37 -3.894 18.903 -6.206 239 HG3 PRO 37 2HG PRO 37 -5.165 19.809 -7.047 240 HD2 PRO 37 1HD PRO 37 -4.326 20.450 -4.554 241 HD3 PRO 37 2HD PRO 37 -6.000 20.699 -5.092 242 H VAL 38 H VAL 38 -5.647 15.331 -5.650 243 HA VAL 38 HA VAL 38 -3.200 14.743 -4.132 244 HB VAL 38 HB VAL 38 -5.538 12.853 -4.436 245 HG11 VAL 38 1HG1 VAL 38 -2.718 12.416 -3.865 246 HG12 VAL 38 2HG1 VAL 38 -3.783 11.761 -2.620 247 HG13 VAL 38 3HG1 VAL 38 -3.978 11.261 -4.301 248 HG21 VAL 38 3HG2 VAL 38 -5.306 12.972 -1.843 249 HG22 VAL 38 1HG2 VAL 38 -4.509 14.511 -2.174 250 HG23 VAL 38 2HG2 VAL 38 -6.170 14.245 -2.705 251 H GLN 39 H GLN 39 -1.889 14.940 -5.919 252 HA GLN 39 HA GLN 39 -2.193 14.274 -8.495 253 HB2 GLN 39 1HB GLN 39 0.166 13.910 -6.682 254 HB3 GLN 39 2HB GLN 39 0.267 13.411 -8.365 255 HG2 GLN 39 1HG GLN 39 -0.536 16.178 -7.510 256 HG3 GLN 39 2HG GLN 39 1.129 15.708 -7.852 257 HE21 GLN 39 1HE2 GLN 39 0.255 17.694 -9.310 258 HE22 GLN 39 2HE2 GLN 39 -0.137 17.206 -10.920 259 H GLY 40 H GLY 40 -1.467 11.946 -5.916 260 HA2 GLY 40 1HA GLY 40 -2.933 9.859 -7.091 261 HA3 GLY 40 2HA GLY 40 -1.245 9.667 -7.543 262 H TYR 41 H TYR 41 -0.868 7.810 -6.387 263 HA TYR 41 HA TYR 41 -0.484 8.179 -3.537 264 HB2 TYR 41 1HB TYR 41 -2.105 5.813 -4.469 265 HB3 TYR 41 2HB TYR 41 -1.809 6.340 -2.816 266 HD1 TYR 41 1HD TYR 41 -3.713 7.003 -5.889 267 HD2 TYR 41 2HD TYR 41 -3.103 8.117 -1.828 268 HE1 TYR 41 1HE TYR 41 -5.805 8.295 -5.936 269 HE2 TYR 41 2HE TYR 41 -5.194 9.411 -1.863 270 HH TYR 41 HH TYR 41 -6.717 10.370 -4.561 271 H ARG 42 H ARG 42 1.036 6.781 -2.648 272 HA ARG 42 HA ARG 42 2.455 5.088 -4.599 273 HB2 ARG 42 1HB ARG 42 3.409 7.042 -2.592 274 HB3 ARG 42 2HB ARG 42 4.339 5.555 -2.720 275 HG2 ARG 42 1HG ARG 42 4.809 5.953 -5.019 276 HG3 ARG 42 2HG ARG 42 3.674 7.303 -5.073 277 HD2 ARG 42 1HD ARG 42 5.611 8.473 -4.827 278 HD3 ARG 42 2HD ARG 42 5.232 8.201 -3.127 279 HE ARG 42 HE ARG 42 6.768 6.052 -3.924 280 HH11 ARG 42 1HH1 ARG 42 7.129 9.509 -3.734 281 HH12 ARG 42 2HH1 ARG 42 8.841 9.447 -3.469 282 HH21 ARG 42 1HH2 ARG 42 9.020 5.956 -3.576 283 HH22 ARG 42 2HH2 ARG 42 9.915 7.425 -3.381 284 H LEU 43 H LEU 43 3.164 3.065 -3.964 285 HA LEU 43 HA LEU 43 2.215 2.134 -1.335 286 HB2 LEU 43 1HB LEU 43 0.747 1.204 -2.941 287 HB3 LEU 43 2HB LEU 43 2.078 0.786 -4.017 288 HG LEU 43 HG LEU 43 2.811 -0.829 -2.158 289 HD11 LEU 43 1HD1 LEU 43 0.859 0.365 -0.717 290 HD12 LEU 43 2HD1 LEU 43 1.480 -1.254 -0.400 291 HD13 LEU 43 3HD1 LEU 43 -0.000 -1.046 -1.335 292 HD21 LEU 43 3HD2 LEU 43 0.213 -1.723 -3.267 293 HD22 LEU 43 1HD2 LEU 43 1.791 -2.511 -3.291 294 HD23 LEU 43 2HD2 LEU 43 1.445 -1.197 -4.416 295 H PHE 44 H PHE 44 3.666 1.125 -0.092 296 HA PHE 44 HA PHE 44 6.198 0.276 -1.338 297 HB2 PHE 44 1HB PHE 44 5.895 1.353 1.469 298 HB3 PHE 44 2HB PHE 44 7.396 0.997 0.620 299 HD1 PHE 44 2HD PHE 44 7.652 2.304 -1.683 300 HD2 PHE 44 1HD PHE 44 5.231 3.540 1.593 301 HE1 PHE 44 2HE PHE 44 7.742 4.624 -2.496 302 HE2 PHE 44 1HE PHE 44 5.317 5.862 0.784 303 HZ PHE 44 HZ PHE 44 6.575 6.407 -1.262 304 H CYS 45 H CYS 45 6.282 -1.868 -1.342 305 HA CYS 45 HA CYS 45 5.063 -3.352 0.877 306 HB2 CYS 45 1HB CYS 45 4.226 -4.108 -1.215 307 HB3 CYS 45 2HB CYS 45 5.835 -4.147 -1.928 308 HG CYS 45 HG CYS 45 5.967 -6.153 0.600 309 H THR 46 H THR 46 6.297 -4.268 2.372 310 HA THR 46 HA THR 46 9.137 -4.753 1.745 311 HB THR 46 HB THR 46 8.082 -4.025 4.478 312 HG1 THR 46 1HG THR 46 9.613 -2.212 3.006 313 HG21 THR 46 3HG2 THR 46 10.121 -4.636 5.136 314 HG22 THR 46 1HG2 THR 46 10.788 -3.339 4.145 315 HG23 THR 46 2HG2 THR 46 10.606 -4.959 3.471 316 H GLU 47 H GLU 47 9.682 -6.824 1.829 317 HA GLU 47 HA GLU 47 7.906 -8.770 3.000 318 HB2 GLU 47 1HB GLU 47 9.160 -9.113 0.845 319 HB3 GLU 47 2HB GLU 47 10.635 -9.234 1.794 320 HG2 GLU 47 1HG GLU 47 9.990 -11.243 2.772 321 HG3 GLU 47 2HG GLU 47 8.293 -11.009 2.355 322 H VAL 48 H VAL 48 7.945 -8.477 5.210 323 HA VAL 48 HA VAL 48 10.007 -7.955 6.903 324 HB VAL 48 HB VAL 48 7.817 -9.971 7.422 325 HG11 VAL 48 1HG1 VAL 48 9.234 -10.303 9.198 326 HG12 VAL 48 2HG1 VAL 48 9.839 -8.646 9.166 327 HG13 VAL 48 3HG1 VAL 48 8.236 -8.988 9.818 328 HG21 VAL 48 3HG2 VAL 48 6.490 -8.182 8.231 329 HG22 VAL 48 1HG2 VAL 48 7.839 -7.049 8.141 330 HG23 VAL 48 2HG2 VAL 48 7.107 -7.669 6.661 331 H SER 49 H SER 49 9.274 -11.031 5.364 332 HA SER 49 HA SER 49 10.915 -12.729 6.816 333 HB2 SER 49 1HB SER 49 9.296 -13.382 4.993 334 HB3 SER 49 2HB SER 49 10.513 -12.876 3.822 335 HG SER 49 HG SER 49 11.568 -14.526 5.692 336 H THR 50 H THR 50 11.740 -10.979 3.821 337 HA THR 50 HA THR 50 14.568 -11.530 4.279 338 HB THR 50 HB THR 50 14.915 -10.497 2.053 339 HG1 THR 50 1HG THR 50 12.792 -10.230 0.868 340 HG21 THR 50 3HG2 THR 50 14.404 -12.419 0.972 341 HG22 THR 50 1HG2 THR 50 12.726 -12.404 1.514 342 HG23 THR 50 2HG2 THR 50 13.997 -12.975 2.595 343 H GLY 51 H GLY 51 12.522 -8.683 3.599 344 HA2 GLY 51 1HA GLY 51 12.731 -6.757 5.101 345 HA3 GLY 51 2HA GLY 51 14.458 -7.079 5.150 346 H LYS 52 H LYS 52 13.004 -7.493 2.092 347 HA LYS 52 HA LYS 52 14.339 -5.075 1.137 348 HB2 LYS 52 1HB LYS 52 13.206 -7.467 -0.318 349 HB3 LYS 52 2HB LYS 52 13.905 -6.072 -1.129 350 HG2 LYS 52 1HG LYS 52 16.030 -6.512 0.091 351 HG3 LYS 52 2HG LYS 52 15.307 -7.999 0.710 352 HD2 LYS 52 1HD LYS 52 15.238 -7.532 -2.225 353 HD3 LYS 52 2HD LYS 52 16.784 -7.967 -1.493 354 HE2 LYS 52 1HE LYS 52 15.899 -10.032 -2.042 355 HE3 LYS 52 2HE LYS 52 15.425 -9.858 -0.353 356 HZ1 LYS 52 3HZ LYS 52 13.649 -9.097 -2.599 357 HZ2 LYS 52 1HZ LYS 52 13.236 -9.306 -0.971 358 HZ3 LYS 52 2HZ LYS 52 13.647 -10.645 -1.918 359 H GLU 53 H GLU 53 13.259 -3.299 0.587 360 HA GLU 53 HA GLU 53 10.335 -3.415 0.505 361 HB2 GLU 53 1HB GLU 53 11.299 -1.790 2.041 362 HB3 GLU 53 2HB GLU 53 12.222 -1.065 0.733 363 HG2 GLU 53 1HG GLU 53 9.245 -1.194 0.567 364 HG3 GLU 53 2HG GLU 53 10.028 0.050 1.540 365 H GLN 54 H GLN 54 9.148 -2.366 -1.161 366 HA GLN 54 HA GLN 54 10.628 -1.722 -3.604 367 HB2 GLN 54 1HB GLN 54 9.290 -3.136 -4.983 368 HB3 GLN 54 2HB GLN 54 9.899 -4.127 -3.664 369 HG2 GLN 54 1HG GLN 54 7.776 -4.023 -2.539 370 HG3 GLN 54 2HG GLN 54 7.154 -2.899 -3.747 371 HE21 GLN 54 1HE2 GLN 54 6.425 -5.699 -2.841 372 HE22 GLN 54 2HE2 GLN 54 6.288 -6.591 -4.314 373 H ASN 55 H ASN 55 9.867 0.034 -4.607 374 HA ASN 55 HA ASN 55 7.425 1.252 -3.568 375 HB2 ASN 55 1HB ASN 55 8.346 3.150 -5.191 376 HB3 ASN 55 2HB ASN 55 9.001 2.919 -3.573 377 HD21 ASN 55 1HD2 ASN 55 11.062 2.184 -3.319 378 HD22 ASN 55 2HD2 ASN 55 12.168 1.979 -4.632 379 H ILE 56 H ILE 56 5.602 1.515 -4.724 380 HA ILE 56 HA ILE 56 5.664 0.920 -7.601 381 HB ILE 56 HB ILE 56 3.621 -0.180 -5.667 382 HG12 ILE 56 1HG1 ILE 56 5.605 -1.695 -7.369 383 HG13 ILE 56 2HG1 ILE 56 5.901 -1.280 -5.685 384 HG21 ILE 56 1HG2 ILE 56 3.423 -1.419 -8.177 385 HG22 ILE 56 2HG2 ILE 56 2.267 -0.325 -7.418 386 HG23 ILE 56 3HG2 ILE 56 3.514 0.315 -8.488 387 HD11 ILE 56 3HD1 ILE 56 4.084 -3.294 -6.856 388 HD12 ILE 56 1HD1 ILE 56 5.075 -3.365 -5.400 389 HD13 ILE 56 2HD1 ILE 56 3.551 -2.476 -5.388 390 H GLU 57 H GLU 57 4.404 2.203 -8.842 391 HA GLU 57 HA GLU 57 2.840 4.264 -7.447 392 HB2 GLU 57 1HB GLU 57 4.483 4.246 -9.917 393 HB3 GLU 57 2HB GLU 57 3.038 5.246 -9.939 394 HG2 GLU 57 1HG GLU 57 3.943 6.150 -7.682 395 HG3 GLU 57 2HG GLU 57 5.478 5.489 -8.243 396 H VAL 58 H VAL 58 0.762 3.694 -7.339 397 HA VAL 58 HA VAL 58 -0.490 2.510 -9.729 398 HB VAL 58 HB VAL 58 -2.246 1.659 -8.217 399 HG11 VAL 58 1HG1 VAL 58 -0.366 0.230 -8.818 400 HG12 VAL 58 2HG1 VAL 58 0.555 0.847 -7.444 401 HG13 VAL 58 3HG1 VAL 58 -0.906 -0.104 -7.173 402 HG21 VAL 58 3HG2 VAL 58 -2.035 1.777 -5.837 403 HG22 VAL 58 1HG2 VAL 58 -0.462 2.564 -5.964 404 HG23 VAL 58 2HG2 VAL 58 -1.919 3.418 -6.471 405 H ASP 59 H ASP 59 -2.948 2.997 -9.763 406 HA ASP 59 HA ASP 59 -3.544 5.724 -8.895 407 HB2 ASP 59 1HB ASP 59 -2.576 5.742 -11.251 408 HB3 ASP 59 2HB ASP 59 -4.027 4.877 -11.751 409 H GLY 60 H GLY 60 -5.663 6.067 -8.407 410 HA2 GLY 60 1HA GLY 60 -8.018 5.538 -8.842 411 HA3 GLY 60 2HA GLY 60 -7.532 3.856 -8.998 412 H LEU 61 H LEU 61 -9.060 3.254 -7.411 413 HA LEU 61 HA LEU 61 -8.144 3.803 -4.673 414 HB2 LEU 61 1HB LEU 61 -11.020 3.669 -5.567 415 HB3 LEU 61 2HB LEU 61 -10.463 3.860 -3.906 416 HG LEU 61 HG LEU 61 -10.078 5.861 -6.133 417 HD11 LEU 61 1HD1 LEU 61 -12.408 5.663 -5.391 418 HD12 LEU 61 2HD1 LEU 61 -11.697 7.211 -4.934 419 HD13 LEU 61 3HD1 LEU 61 -11.894 5.941 -3.727 420 HD21 LEU 61 3HD2 LEU 61 -9.172 5.749 -3.284 421 HD22 LEU 61 1HD2 LEU 61 -9.500 7.300 -4.057 422 HD23 LEU 61 2HD2 LEU 61 -8.275 6.223 -4.728 423 H SER 62 H SER 62 -7.586 1.570 -6.413 424 HA SER 62 HA SER 62 -8.051 -0.553 -4.626 425 HB2 SER 62 1HB SER 62 -9.621 -1.918 -5.831 426 HB3 SER 62 2HB SER 62 -10.358 -0.331 -5.613 427 HG SER 62 HG SER 62 -10.513 -0.234 -7.694 428 H TYR 63 H TYR 63 -6.352 -1.832 -4.876 429 HA TYR 63 HA TYR 63 -5.365 -2.423 -7.566 430 HB2 TYR 63 1HB TYR 63 -4.040 -0.508 -6.723 431 HB3 TYR 63 2HB TYR 63 -3.571 -1.467 -5.324 432 HD1 TYR 63 2HD TYR 63 -2.106 -3.455 -5.630 433 HD2 TYR 63 1HD TYR 63 -2.958 -0.780 -8.827 434 HE1 TYR 63 2HE TYR 63 -0.185 -4.347 -6.880 435 HE2 TYR 63 1HE TYR 63 -1.040 -1.666 -10.087 436 HH TYR 63 HH TYR 63 1.376 -3.457 -8.739 437 H LYS 64 H LYS 64 -5.347 -4.555 -7.731 438 HA LYS 64 HA LYS 64 -5.103 -6.214 -5.355 439 HB2 LYS 64 1HB LYS 64 -6.775 -6.539 -7.319 440 HB3 LYS 64 2HB LYS 64 -5.406 -7.263 -8.152 441 HG2 LYS 64 1HG LYS 64 -5.172 -8.875 -6.300 442 HG3 LYS 64 2HG LYS 64 -6.611 -8.181 -5.550 443 HD2 LYS 64 1HD LYS 64 -7.636 -8.669 -7.947 444 HD3 LYS 64 2HD LYS 64 -6.357 -9.885 -7.973 445 HE2 LYS 64 1HE LYS 64 -7.273 -11.080 -6.236 446 HE3 LYS 64 2HE LYS 64 -8.099 -9.675 -5.564 447 HZ1 LYS 64 3HZ LYS 64 -9.152 -11.637 -7.233 448 HZ2 LYS 64 1HZ LYS 64 -9.115 -10.204 -8.132 449 HZ3 LYS 64 2HZ LYS 64 -9.924 -10.250 -6.647 450 H LEU 65 H LEU 65 -3.100 -6.618 -4.671 451 HA LEU 65 HA LEU 65 -0.831 -6.608 -6.413 452 HB2 LEU 65 1HB LEU 65 -1.102 -6.117 -3.815 453 HB3 LEU 65 2HB LEU 65 -0.676 -7.824 -3.710 454 HG LEU 65 HG LEU 65 1.302 -6.993 -5.308 455 HD11 LEU 65 1HD1 LEU 65 1.189 -4.656 -3.488 456 HD12 LEU 65 2HD1 LEU 65 0.189 -4.615 -4.939 457 HD13 LEU 65 3HD1 LEU 65 1.934 -4.823 -5.077 458 HD21 LEU 65 3HD2 LEU 65 1.002 -7.187 -2.362 459 HD22 LEU 65 1HD2 LEU 65 2.494 -6.489 -2.993 460 HD23 LEU 65 2HD2 LEU 65 2.016 -8.120 -3.464 461 H GLU 66 H GLU 66 0.470 -8.331 -7.038 462 HA GLU 66 HA GLU 66 -0.418 -11.041 -6.431 463 HB2 GLU 66 1HB GLU 66 -0.036 -10.160 -9.292 464 HB3 GLU 66 2HB GLU 66 -0.618 -11.717 -8.719 465 HG2 GLU 66 1HG GLU 66 -2.627 -10.616 -7.828 466 HG3 GLU 66 2HG GLU 66 -2.049 -9.081 -8.475 467 H GLY 67 H GLY 67 1.147 -12.679 -7.036 468 HA2 GLY 67 1HA GLY 67 3.288 -13.430 -7.614 469 HA3 GLY 67 2HA GLY 67 3.783 -11.762 -7.859 470 H LEU 68 H LEU 68 2.161 -12.813 -4.950 471 HA LEU 68 HA LEU 68 4.565 -12.126 -3.428 472 HB2 LEU 68 1HB LEU 68 1.728 -12.564 -2.506 473 HB3 LEU 68 2HB LEU 68 3.069 -12.038 -1.490 474 HG LEU 68 HG LEU 68 2.433 -10.366 -3.854 475 HD11 LEU 68 1HD1 LEU 68 0.621 -10.704 -1.491 476 HD12 LEU 68 2HD1 LEU 68 0.212 -10.636 -3.205 477 HD13 LEU 68 3HD1 LEU 68 0.722 -9.173 -2.362 478 HD21 LEU 68 3HD2 LEU 68 3.725 -10.141 -1.241 479 HD22 LEU 68 1HD2 LEU 68 2.684 -8.776 -1.645 480 HD23 LEU 68 2HD2 LEU 68 4.000 -9.232 -2.728 481 H LYS 69 H LYS 69 4.415 -13.455 -1.158 482 HA LYS 69 HA LYS 69 4.924 -16.206 -1.960 483 HB2 LYS 69 1HB LYS 69 5.489 -14.643 0.554 484 HB3 LYS 69 2HB LYS 69 5.743 -16.380 0.453 485 HG2 LYS 69 1HG LYS 69 7.378 -16.101 -1.277 486 HG3 LYS 69 2HG LYS 69 7.038 -14.372 -1.377 487 HD2 LYS 69 1HD LYS 69 9.007 -14.536 -0.102 488 HD3 LYS 69 2HD LYS 69 7.721 -14.261 1.076 489 HE2 LYS 69 1HE LYS 69 8.975 -15.979 2.025 490 HE3 LYS 69 2HE LYS 69 7.629 -16.824 1.261 491 HZ1 LYS 69 3HZ LYS 69 10.426 -16.619 0.316 492 HZ2 LYS 69 1HZ LYS 69 9.168 -17.111 -0.702 493 HZ3 LYS 69 2HZ LYS 69 9.542 -18.015 0.677 494 H LYS 70 H LYS 70 3.716 -17.927 -1.401 495 HA LYS 70 HA LYS 70 1.125 -18.017 -0.959 496 HB2 LYS 70 1HB LYS 70 2.854 -19.952 -0.945 497 HB3 LYS 70 2HB LYS 70 2.796 -19.785 0.804 498 HG2 LYS 70 1HG LYS 70 1.249 -21.447 0.395 499 HG3 LYS 70 2HG LYS 70 0.241 -20.003 0.512 500 HD2 LYS 70 1HD LYS 70 -0.540 -21.173 -1.382 501 HD3 LYS 70 2HD LYS 70 0.431 -19.841 -2.014 502 HE2 LYS 70 1HE LYS 70 0.918 -21.905 -3.207 503 HE3 LYS 70 2HE LYS 70 2.328 -21.365 -2.296 504 HZ1 LYS 70 3HZ LYS 70 2.232 -23.134 -0.923 505 HZ2 LYS 70 1HZ LYS 70 1.433 -23.852 -2.230 506 HZ3 LYS 70 2HZ LYS 70 0.542 -23.219 -0.939 507 H PHE 71 H PHE 71 3.140 -18.369 1.955 508 HA PHE 71 HA PHE 71 1.259 -16.606 3.374 509 HB2 PHE 71 1HB PHE 71 0.835 -19.009 3.901 510 HB3 PHE 71 2HB PHE 71 2.481 -19.126 4.516 511 HD1 PHE 71 1HD PHE 71 3.114 -17.441 6.391 512 HD2 PHE 71 2HD PHE 71 -0.881 -18.466 5.340 513 HE1 PHE 71 1HE PHE 71 2.343 -16.688 8.603 514 HE2 PHE 71 2HE PHE 71 -1.659 -17.714 7.550 515 HZ PHE 71 HZ PHE 71 -0.046 -16.823 9.185 516 H THR 72 H THR 72 2.504 -14.827 3.591 517 HA THR 72 HA THR 72 4.840 -15.041 5.310 518 HB THR 72 HB THR 72 4.985 -13.800 2.558 519 HG1 THR 72 1HG THR 72 5.502 -16.222 3.345 520 HG21 THR 72 3HG2 THR 72 6.380 -12.325 3.519 521 HG22 THR 72 1HG2 THR 72 7.508 -13.676 3.620 522 HG23 THR 72 2HG2 THR 72 6.498 -13.266 5.006 523 H GLU 73 H GLU 73 4.614 -13.563 6.845 524 HA GLU 73 HA GLU 73 2.657 -11.576 6.862 525 HB2 GLU 73 1HB GLU 73 3.714 -12.482 8.895 526 HB3 GLU 73 2HB GLU 73 5.217 -11.677 8.467 527 HG2 GLU 73 1HG GLU 73 4.423 -9.598 9.006 528 HG3 GLU 73 2HG GLU 73 2.741 -10.050 8.731 529 H TYR 74 H TYR 74 2.637 -10.139 5.209 530 HA TYR 74 HA TYR 74 5.095 -8.691 4.558 531 HB2 TYR 74 1HB TYR 74 2.471 -9.087 3.161 532 HB3 TYR 74 2HB TYR 74 3.502 -7.729 2.723 533 HD1 TYR 74 2HD TYR 74 5.870 -8.221 1.950 534 HD2 TYR 74 1HD TYR 74 2.899 -11.243 2.329 535 HE1 TYR 74 2HE TYR 74 7.183 -9.689 0.477 536 HE2 TYR 74 1HE TYR 74 4.205 -12.720 0.858 537 HH TYR 74 HH TYR 74 6.047 -12.954 -0.350 538 H SER 75 H SER 75 5.128 -6.392 4.445 539 HA SER 75 HA SER 75 3.049 -5.059 6.048 540 HB2 SER 75 1HB SER 75 4.859 -3.628 7.017 541 HB3 SER 75 2HB SER 75 4.977 -5.324 7.483 542 HG SER 75 HG SER 75 6.355 -5.079 5.268 543 H LEU 76 H LEU 76 2.002 -3.786 4.663 544 HA LEU 76 HA LEU 76 3.482 -2.434 2.533 545 HB2 LEU 76 1HB LEU 76 0.506 -2.462 2.981 546 HB3 LEU 76 2HB LEU 76 1.369 -2.000 1.515 547 HG LEU 76 HG LEU 76 1.181 -4.790 2.652 548 HD11 LEU 76 1HD1 LEU 76 -0.917 -4.343 1.752 549 HD12 LEU 76 2HD1 LEU 76 -0.053 -5.113 0.421 550 HD13 LEU 76 3HD1 LEU 76 -0.256 -3.361 0.445 551 HD21 LEU 76 3HD2 LEU 76 3.153 -3.709 1.024 552 HD22 LEU 76 1HD2 LEU 76 2.061 -4.531 -0.092 553 HD23 LEU 76 2HD2 LEU 76 2.787 -5.421 1.248 554 H ARG 77 H ARG 77 2.918 -0.151 2.064 555 HA ARG 77 HA ARG 77 2.053 1.401 4.380 556 HB2 ARG 77 1HB ARG 77 4.496 1.208 4.605 557 HB3 ARG 77 2HB ARG 77 4.695 1.859 2.984 558 HG2 ARG 77 1HG ARG 77 4.005 3.993 3.627 559 HG3 ARG 77 2HG ARG 77 3.266 3.402 5.116 560 HD2 ARG 77 1HD ARG 77 5.255 4.443 5.799 561 HD3 ARG 77 2HD ARG 77 5.614 2.717 5.819 562 HE ARG 77 HE ARG 77 6.309 4.104 3.375 563 HH11 ARG 77 1HH1 ARG 77 7.363 2.981 6.497 564 HH12 ARG 77 2HH1 ARG 77 9.045 2.998 6.081 565 HH21 ARG 77 1HH2 ARG 77 8.520 4.131 2.815 566 HH22 ARG 77 2HH2 ARG 77 9.702 3.654 3.986 567 H PHE 78 H PHE 78 0.510 2.692 3.649 568 HA PHE 78 HA PHE 78 0.721 3.737 0.906 569 HB2 PHE 78 1HB PHE 78 -1.302 2.275 1.805 570 HB3 PHE 78 2HB PHE 78 -1.848 3.830 2.423 571 HD1 PHE 78 1HD PHE 78 -0.654 2.205 -0.704 572 HD2 PHE 78 2HD PHE 78 -3.070 5.234 1.057 573 HE1 PHE 78 1HE PHE 78 -1.573 2.755 -2.919 574 HE2 PHE 78 2HE PHE 78 -3.994 5.788 -1.154 575 HZ PHE 78 HZ PHE 78 -3.247 4.548 -3.146 576 H LEU 79 H LEU 79 0.280 5.919 0.499 577 HA LEU 79 HA LEU 79 -0.311 7.736 2.650 578 HB2 LEU 79 1HB LEU 79 1.713 8.930 2.712 579 HB3 LEU 79 2HB LEU 79 2.149 7.229 2.861 580 HG LEU 79 HG LEU 79 2.541 7.397 0.283 581 HD11 LEU 79 1HD1 LEU 79 3.559 9.785 -0.067 582 HD12 LEU 79 2HD1 LEU 79 2.375 10.240 1.158 583 HD13 LEU 79 3HD1 LEU 79 1.843 9.488 -0.346 584 HD21 LEU 79 3HD2 LEU 79 4.490 8.748 2.138 585 HD22 LEU 79 1HD2 LEU 79 4.843 7.824 0.678 586 HD23 LEU 79 2HD2 LEU 79 4.222 7.005 2.111 587 H ALA 80 H ALA 80 -0.436 9.994 1.891 588 HA ALA 80 HA ALA 80 -1.199 10.069 -0.949 589 HB1 ALA 80 3HB ALA 80 -2.202 12.364 0.226 590 HB2 ALA 80 1HB ALA 80 -3.100 10.888 -0.130 591 HB3 ALA 80 2HB ALA 80 -2.396 11.129 1.470 592 H TYR 81 H TYR 81 -0.427 11.640 -2.310 593 HA TYR 81 HA TYR 81 1.354 13.693 -1.258 594 HB2 TYR 81 1HB TYR 81 3.194 13.105 -2.717 595 HB3 TYR 81 2HB TYR 81 2.788 11.714 -1.718 596 HD1 TYR 81 1HD TYR 81 2.350 13.159 -5.109 597 HD2 TYR 81 2HD TYR 81 2.220 9.654 -2.700 598 HE1 TYR 81 1HE TYR 81 2.116 11.782 -7.134 599 HE2 TYR 81 2HE TYR 81 1.987 8.268 -4.718 600 HH TYR 81 HH TYR 81 1.174 9.497 -7.708 601 H ASN 82 H ASN 82 1.196 15.556 -2.356 602 HA ASN 82 HA ASN 82 -0.206 15.498 -4.948 603 HB2 ASN 82 1HB ASN 82 -0.809 17.947 -4.213 604 HB3 ASN 82 2HB ASN 82 -1.737 16.584 -3.593 605 HD21 ASN 82 1HD2 ASN 82 1.438 17.886 -2.715 606 HD22 ASN 82 2HD2 ASN 82 1.058 18.157 -1.052 607 H ARG 83 H ARG 83 0.141 17.926 -5.923 608 HA ARG 83 HA ARG 83 2.556 18.005 -7.134 609 HB2 ARG 83 1HB ARG 83 2.085 20.185 -7.813 610 HB3 ARG 83 2HB ARG 83 0.494 19.534 -7.441 611 HG2 ARG 83 1HG ARG 83 0.317 21.519 -6.369 612 HG3 ARG 83 2HG ARG 83 1.045 20.578 -5.065 613 HD2 ARG 83 1HD ARG 83 2.271 22.591 -5.169 614 HD3 ARG 83 2HD ARG 83 3.288 21.367 -5.929 615 HE ARG 83 HE ARG 83 3.088 22.480 -7.926 616 HH11 ARG 83 1HH1 ARG 83 0.744 23.715 -5.668 617 HH12 ARG 83 2HH1 ARG 83 0.283 25.047 -6.674 618 HH21 ARG 83 1HH2 ARG 83 2.489 24.230 -9.261 619 HH22 ARG 83 2HH2 ARG 83 1.276 25.339 -8.718 620 H TYR 84 H TYR 84 1.811 19.206 -3.922 621 HA TYR 84 HA TYR 84 4.254 20.584 -3.502 622 HB2 TYR 84 1HB TYR 84 2.488 19.367 -1.376 623 HB3 TYR 84 2HB TYR 84 3.599 20.720 -1.198 624 HD1 TYR 84 1HD TYR 84 3.059 22.631 -3.118 625 HD2 TYR 84 2HD TYR 84 0.269 19.964 -1.328 626 HE1 TYR 84 1HE TYR 84 1.236 24.200 -3.634 627 HE2 TYR 84 2HE TYR 84 -1.561 21.525 -1.840 628 HH TYR 84 HH TYR 84 -2.012 23.703 -2.430 629 H GLY 85 H GLY 85 3.123 17.494 -2.107 630 HA2 GLY 85 1HA GLY 85 5.283 15.913 -2.705 631 HA3 GLY 85 2HA GLY 85 5.762 16.776 -1.250 632 HA PRO 86 HA PRO 86 3.319 12.890 -0.207 633 HB2 PRO 86 1HB PRO 86 5.303 11.639 1.160 634 HB3 PRO 86 2HB PRO 86 5.067 11.447 -0.582 635 HG2 PRO 86 1HG PRO 86 7.000 13.200 0.886 636 HG3 PRO 86 2HG PRO 86 7.268 12.196 -0.551 637 HD2 PRO 86 1HD PRO 86 6.874 14.871 -0.696 638 HD3 PRO 86 2HD PRO 86 6.338 13.756 -1.969 639 H GLY 87 H GLY 87 2.004 13.434 1.420 640 HA2 GLY 87 1HA GLY 87 2.943 14.979 3.671 641 HA3 GLY 87 2HA GLY 87 1.298 14.425 3.396 642 H VAL 88 H VAL 88 0.785 13.462 5.276 643 HA VAL 88 HA VAL 88 2.643 11.851 6.748 644 HB VAL 88 HB VAL 88 -0.344 12.154 7.090 645 HG11 VAL 88 1HG1 VAL 88 0.669 11.490 9.532 646 HG12 VAL 88 2HG1 VAL 88 -0.093 10.359 8.412 647 HG13 VAL 88 3HG1 VAL 88 1.664 10.514 8.452 648 HG21 VAL 88 3HG2 VAL 88 0.072 14.131 8.014 649 HG22 VAL 88 1HG2 VAL 88 1.192 13.381 9.152 650 HG23 VAL 88 2HG2 VAL 88 1.776 13.962 7.592 651 H SER 89 H SER 89 2.649 9.630 7.033 652 HA SER 89 HA SER 89 1.329 8.119 4.890 653 HB2 SER 89 1HB SER 89 3.638 7.292 6.666 654 HB3 SER 89 2HB SER 89 3.012 6.393 5.284 655 HG SER 89 HG SER 89 3.896 7.812 3.933 656 H THR 90 H THR 90 0.677 5.855 5.468 657 HA THR 90 HA THR 90 -0.933 5.947 7.895 658 HB THR 90 HB THR 90 -2.039 3.929 7.000 659 HG1 THR 90 1HG THR 90 -1.414 3.480 4.697 660 HG21 THR 90 3HG2 THR 90 -3.205 5.776 6.293 661 HG22 THR 90 1HG2 THR 90 -2.749 5.088 4.735 662 HG23 THR 90 2HG2 THR 90 -1.833 6.438 5.405 663 H ASP 91 H ASP 91 -1.179 3.831 9.108 664 HA ASP 91 HA ASP 91 1.361 3.071 10.136 665 HB2 ASP 91 1HB ASP 91 -1.287 1.700 10.630 666 HB3 ASP 91 2HB ASP 91 0.141 1.665 11.661 667 H ASP 92 H ASP 92 2.607 1.332 9.736 668 HA ASP 92 HA ASP 92 2.674 -0.005 7.393 669 HB2 ASP 92 1HB ASP 92 3.788 -1.917 8.725 670 HB3 ASP 92 2HB ASP 92 4.527 -0.319 8.791 671 H ILE 93 H ILE 93 1.100 -1.052 6.374 672 HA ILE 93 HA ILE 93 -0.982 -2.440 7.795 673 HB ILE 93 HB ILE 93 -0.418 -2.304 4.831 674 HG12 ILE 93 1HG1 ILE 93 -2.495 -0.811 6.440 675 HG13 ILE 93 2HG1 ILE 93 -0.933 -0.129 6.001 676 HG21 ILE 93 1HG2 ILE 93 -1.991 -3.847 4.575 677 HG22 ILE 93 2HG2 ILE 93 -2.202 -3.949 6.322 678 HG23 ILE 93 3HG2 ILE 93 -3.146 -2.790 5.386 679 HD11 ILE 93 3HD1 ILE 93 -2.598 0.649 4.469 680 HD12 ILE 93 1HD1 ILE 93 -1.515 -0.453 3.621 681 HD13 ILE 93 2HD1 ILE 93 -3.114 -1.001 4.124 682 H THR 94 H THR 94 -0.402 -4.294 8.762 683 HA THR 94 HA THR 94 1.367 -6.166 7.389 684 HB THR 94 HB THR 94 0.158 -6.479 10.138 685 HG1 THR 94 1HG THR 94 2.716 -5.408 9.483 686 HG21 THR 94 3HG2 THR 94 2.371 -7.823 8.622 687 HG22 THR 94 1HG2 THR 94 1.020 -8.550 9.491 688 HG23 THR 94 2HG2 THR 94 2.353 -7.819 10.386 689 H VAL 95 H VAL 95 0.399 -7.455 5.956 690 HA VAL 95 HA VAL 95 -2.080 -8.817 6.779 691 HB VAL 95 HB VAL 95 -1.427 -7.837 3.996 692 HG11 VAL 95 1HG1 VAL 95 -3.787 -9.393 5.045 693 HG12 VAL 95 2HG1 VAL 95 -3.702 -8.653 3.445 694 HG13 VAL 95 3HG1 VAL 95 -2.583 -9.946 3.881 695 HG21 VAL 95 3HG2 VAL 95 -3.906 -6.961 5.279 696 HG22 VAL 95 1HG2 VAL 95 -2.442 -6.382 6.073 697 HG23 VAL 95 2HG2 VAL 95 -2.713 -6.038 4.365 698 H VAL 96 H VAL 96 -1.450 -10.842 7.196 699 HA VAL 96 HA VAL 96 0.715 -12.111 5.804 700 HB VAL 96 HB VAL 96 -1.302 -13.323 7.699 701 HG11 VAL 96 1HG1 VAL 96 1.039 -14.385 6.257 702 HG12 VAL 96 2HG1 VAL 96 0.925 -14.814 7.965 703 HG13 VAL 96 3HG1 VAL 96 -0.395 -15.213 6.864 704 HG21 VAL 96 3HG2 VAL 96 -0.284 -12.076 9.246 705 HG22 VAL 96 1HG2 VAL 96 1.122 -13.113 9.005 706 HG23 VAL 96 2HG2 VAL 96 0.990 -11.588 8.128 707 H THR 97 H THR 97 0.488 -12.812 3.787 708 HA THR 97 HA THR 97 -1.818 -13.198 2.354 709 HB THR 97 HB THR 97 -0.420 -14.862 0.965 710 HG1 THR 97 1HG THR 97 1.564 -15.277 1.635 711 HG21 THR 97 3HG2 THR 97 1.128 -12.964 0.224 712 HG22 THR 97 1HG2 THR 97 0.350 -12.001 1.481 713 HG23 THR 97 2HG2 THR 97 -0.608 -12.662 0.156 714 H LEU 98 H LEU 98 -3.007 -15.046 1.698 715 HA LEU 98 HA LEU 98 -3.740 -16.781 3.775 716 HB2 LEU 98 1HB LEU 98 -4.185 -17.316 0.850 717 HB3 LEU 98 2HB LEU 98 -5.172 -17.842 2.212 718 HG LEU 98 HG LEU 98 -4.935 -15.051 1.099 719 HD11 LEU 98 1HD1 LEU 98 -6.372 -16.699 -0.109 720 HD12 LEU 98 2HD1 LEU 98 -7.235 -15.296 0.521 721 HD13 LEU 98 3HD1 LEU 98 -7.340 -16.845 1.358 722 HD21 LEU 98 3HD2 LEU 98 -5.534 -14.252 3.079 723 HD22 LEU 98 1HD2 LEU 98 -5.515 -15.878 3.764 724 HD23 LEU 98 2HD2 LEU 98 -6.990 -15.248 3.030 725 H SER 99 H SER 99 -3.928 -19.304 2.954 726 HA SER 99 HA SER 99 -1.267 -20.207 2.139 727 HB2 SER 99 1HB SER 99 -0.960 -20.307 4.467 728 HB3 SER 99 2HB SER 99 -2.618 -20.835 4.755 729 HG SER 99 HG SER 99 -0.770 -22.440 4.824 730 H ASP 100 H ASP 100 -1.730 -21.348 0.372 731 HA ASP 100 HA ASP 100 -4.148 -22.566 -0.255 732 HB2 ASP 100 1HB ASP 100 -2.559 -22.150 -1.996 733 HB3 ASP 100 2HB ASP 100 -1.344 -23.154 -1.209 734 H SER 101 H SER 101 -5.104 -24.421 0.298 735 HA SER 101 HA SER 101 -3.502 -26.451 1.706 736 HB2 SER 101 1HB SER 101 -4.848 -25.253 3.350 737 HB3 SER 101 2HB SER 101 -6.304 -25.531 2.395 738 HG SER 101 HG SER 101 -5.628 -27.872 2.680 739 H GLY 102 H GLY 102 -6.571 -25.862 -0.001 740 HA2 GLY 102 1HA GLY 102 -6.646 -27.416 -2.062 741 HA3 GLY 102 2HA GLY 102 -6.571 -28.681 -0.844 742 HA PRO 103 HA PRO 103 -10.911 -26.456 -1.061 743 HB2 PRO 103 1HB PRO 103 -11.774 -26.511 -3.634 744 HB3 PRO 103 2HB PRO 103 -10.920 -25.130 -2.937 745 HG2 PRO 103 1HG PRO 103 -9.862 -27.336 -4.662 746 HG3 PRO 103 2HG PRO 103 -9.530 -25.596 -4.742 747 HD2 PRO 103 1HD PRO 103 -7.819 -27.354 -3.597 748 HD3 PRO 103 2HD PRO 103 -7.994 -25.682 -3.026 749 H SER 104 H SER 104 -9.493 -29.269 -2.249 750 HA SER 104 HA SER 104 -11.883 -30.721 -2.887 751 HB2 SER 104 1HB SER 104 -9.002 -31.505 -2.486 752 HB3 SER 104 2HB SER 104 -10.260 -32.719 -2.717 753 HG SER 104 HG SER 104 -9.675 -32.319 -4.742 754 H SER 105 H SER 105 -12.486 -32.730 -1.715 755 HA SER 105 HA SER 105 -12.903 -32.133 1.058 756 HB2 SER 105 1HB SER 105 -13.790 -34.281 -0.822 757 HB3 SER 105 2HB SER 105 -13.920 -34.572 0.913 758 HG SER 105 HG SER 105 -15.177 -32.683 1.069 759 H GLY 106 H GLY 106 -11.161 -32.309 2.350 760 HA2 GLY 106 1HA GLY 106 -9.391 -33.247 3.474 761 HA3 GLY 106 2HA GLY 106 -10.229 -34.772 3.228 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.501 23.659 6.592 2 HA2 GLY 1 1HA GLY 1 12.204 22.524 5.208 3 HA3 GLY 1 2HA GLY 1 11.999 22.806 6.930 4 H SER 2 H SER 2 11.918 24.179 3.825 5 HA SER 2 HA SER 2 11.626 26.874 4.985 6 HB2 SER 2 1HB SER 2 12.448 27.825 2.972 7 HB3 SER 2 2HB SER 2 13.533 26.482 3.328 8 HG SER 2 HG SER 2 11.994 25.263 1.889 9 H SER 3 H SER 3 10.082 28.292 3.853 10 HA SER 3 HA SER 3 7.534 27.210 3.740 11 HB2 SER 3 1HB SER 3 7.924 29.600 4.053 12 HB3 SER 3 2HB SER 3 8.559 29.732 2.413 13 HG SER 3 HG SER 3 6.589 29.698 1.639 14 H GLY 4 H GLY 4 6.240 26.388 2.166 15 HA2 GLY 4 1HA GLY 4 6.191 26.618 -0.496 16 HA3 GLY 4 2HA GLY 4 7.563 25.540 -0.281 17 H SER 5 H SER 5 7.195 23.415 -0.073 18 HA SER 5 HA SER 5 4.465 22.485 -0.285 19 HB2 SER 5 1HB SER 5 5.444 20.292 -0.680 20 HB3 SER 5 2HB SER 5 6.288 21.495 -1.655 21 HG SER 5 HG SER 5 7.850 21.549 0.133 22 H SER 6 H SER 6 3.383 21.180 1.169 23 HA SER 6 HA SER 6 4.573 21.028 3.862 24 HB2 SER 6 1HB SER 6 1.710 21.507 3.027 25 HB3 SER 6 2HB SER 6 2.169 21.076 4.674 26 HG SER 6 HG SER 6 3.751 23.028 4.057 27 H GLY 7 H GLY 7 1.712 19.564 2.327 28 HA2 GLY 7 1HA GLY 7 2.211 17.108 1.670 29 HA3 GLY 7 2HA GLY 7 2.595 16.964 3.379 30 HA PRO 8 HA PRO 8 -2.160 17.006 2.375 31 HB2 PRO 8 1HB PRO 8 -2.626 14.629 1.148 32 HB3 PRO 8 2HB PRO 8 -2.319 16.126 0.259 33 HG2 PRO 8 1HG PRO 8 -0.439 13.888 0.906 34 HG3 PRO 8 2HG PRO 8 -0.632 14.783 -0.612 35 HD2 PRO 8 1HD PRO 8 1.361 15.306 1.146 36 HD3 PRO 8 2HD PRO 8 0.625 16.566 0.134 37 H GLY 9 H GLY 9 -3.771 15.503 3.335 38 HA2 GLY 9 1HA GLY 9 -2.659 14.282 5.711 39 HA3 GLY 9 2HA GLY 9 -4.364 14.479 5.337 40 HA PRO 10 HA PRO 10 -2.820 10.034 4.659 41 HB2 PRO 10 1HB PRO 10 -3.986 8.892 6.828 42 HB3 PRO 10 2HB PRO 10 -2.344 9.546 6.853 43 HG2 PRO 10 1HG PRO 10 -4.892 10.786 7.818 44 HG3 PRO 10 2HG PRO 10 -3.294 10.770 8.587 45 HD2 PRO 10 1HD PRO 10 -4.230 12.909 7.217 46 HD3 PRO 10 2HD PRO 10 -2.506 12.491 7.273 47 H VAL 11 H VAL 11 -4.067 8.958 3.272 48 HA VAL 11 HA VAL 11 -6.631 9.563 2.551 49 HB VAL 11 HB VAL 11 -6.798 7.346 1.527 50 HG11 VAL 11 1HG1 VAL 11 -4.330 8.979 1.289 51 HG12 VAL 11 2HG1 VAL 11 -4.380 7.431 0.444 52 HG13 VAL 11 3HG1 VAL 11 -5.597 8.661 0.104 53 HG21 VAL 11 3HG2 VAL 11 -4.341 6.148 2.039 54 HG22 VAL 11 1HG2 VAL 11 -4.926 6.665 3.621 55 HG23 VAL 11 2HG2 VAL 11 -5.919 5.611 2.614 56 H GLU 12 H GLU 12 -8.531 7.917 2.674 57 HA GLU 12 HA GLU 12 -8.882 7.104 5.485 58 HB2 GLU 12 1HB GLU 12 -11.048 8.190 3.682 59 HB3 GLU 12 2HB GLU 12 -11.191 7.798 5.389 60 HG2 GLU 12 1HG GLU 12 -9.160 9.805 4.586 61 HG3 GLU 12 2HG GLU 12 -10.859 10.273 4.546 62 H ASN 13 H ASN 13 -11.014 5.665 5.577 63 HA ASN 13 HA ASN 13 -11.586 3.452 5.285 64 HB2 ASN 13 1HB ASN 13 -12.000 4.528 2.486 65 HB3 ASN 13 2HB ASN 13 -12.774 3.101 3.169 66 HD21 ASN 13 1HD2 ASN 13 -13.328 6.170 2.379 67 HD22 ASN 13 2HD2 ASN 13 -14.539 6.586 3.539 68 H LEU 14 H LEU 14 -8.828 3.655 5.183 69 HA LEU 14 HA LEU 14 -7.896 2.213 2.843 70 HB2 LEU 14 1HB LEU 14 -6.404 3.862 3.622 71 HB3 LEU 14 2HB LEU 14 -6.551 3.317 5.291 72 HG LEU 14 HG LEU 14 -5.468 1.117 4.263 73 HD11 LEU 14 1HD1 LEU 14 -4.424 1.315 2.304 74 HD12 LEU 14 2HD1 LEU 14 -3.793 2.912 2.702 75 HD13 LEU 14 3HD1 LEU 14 -5.423 2.746 2.050 76 HD21 LEU 14 3HD2 LEU 14 -3.704 1.687 5.524 77 HD22 LEU 14 1HD2 LEU 14 -4.656 3.118 5.921 78 HD23 LEU 14 2HD2 LEU 14 -3.439 3.195 4.647 79 H GLN 15 H GLN 15 -7.896 0.077 2.701 80 HA GLN 15 HA GLN 15 -7.308 -1.564 5.015 81 HB2 GLN 15 1HB GLN 15 -9.985 -1.549 3.656 82 HB3 GLN 15 2HB GLN 15 -9.375 -3.015 4.411 83 HG2 GLN 15 1HG GLN 15 -9.114 -1.721 6.529 84 HG3 GLN 15 2HG GLN 15 -9.937 -0.378 5.739 85 HE21 GLN 15 1HE2 GLN 15 -11.971 -0.243 6.319 86 HE22 GLN 15 2HE2 GLN 15 -13.038 -1.565 6.633 87 H ALA 16 H ALA 16 -6.367 -3.484 4.485 88 HA ALA 16 HA ALA 16 -6.294 -4.217 1.635 89 HB1 ALA 16 3HB ALA 16 -3.834 -4.866 3.024 90 HB2 ALA 16 1HB ALA 16 -4.081 -4.020 1.496 91 HB3 ALA 16 2HB ALA 16 -4.158 -3.132 3.018 92 H VAL 17 H VAL 17 -6.528 -6.340 1.196 93 HA VAL 17 HA VAL 17 -6.044 -8.358 3.212 94 HB VAL 17 HB VAL 17 -8.320 -7.641 3.781 95 HG11 VAL 17 1HG1 VAL 17 -10.127 -8.252 2.068 96 HG12 VAL 17 2HG1 VAL 17 -9.215 -6.763 1.807 97 HG13 VAL 17 3HG1 VAL 17 -8.826 -8.212 0.879 98 HG21 VAL 17 3HG2 VAL 17 -7.987 -10.364 2.551 99 HG22 VAL 17 1HG2 VAL 17 -7.881 -9.906 4.250 100 HG23 VAL 17 2HG2 VAL 17 -9.442 -9.897 3.431 101 H SER 18 H SER 18 -5.632 -10.341 2.345 102 HA SER 18 HA SER 18 -5.393 -10.455 -0.546 103 HB2 SER 18 1HB SER 18 -3.515 -11.205 0.867 104 HB3 SER 18 2HB SER 18 -4.544 -12.457 1.563 105 HG SER 18 HG SER 18 -3.385 -12.299 -0.970 106 H THR 19 H THR 19 -6.455 -11.855 -1.887 107 HA THR 19 HA THR 19 -8.727 -13.300 -0.694 108 HB THR 19 HB THR 19 -9.971 -12.970 -2.678 109 HG1 THR 19 1HG THR 19 -8.216 -13.367 -4.151 110 HG21 THR 19 3HG2 THR 19 -10.019 -10.976 -1.398 111 HG22 THR 19 1HG2 THR 19 -9.784 -10.473 -3.071 112 HG23 THR 19 2HG2 THR 19 -8.417 -10.492 -1.957 113 H SER 20 H SER 20 -5.756 -13.728 -2.178 114 HA SER 20 HA SER 20 -6.409 -16.527 -2.770 115 HB2 SER 20 1HB SER 20 -4.385 -15.340 -4.552 116 HB3 SER 20 2HB SER 20 -5.695 -16.461 -4.920 117 HG SER 20 HG SER 20 -5.779 -14.177 -5.760 118 HA PRO 21 HA PRO 21 -2.703 -18.044 -0.965 119 HB2 PRO 21 1HB PRO 21 -1.371 -18.285 -3.623 120 HB3 PRO 21 2HB PRO 21 -1.551 -19.489 -2.341 121 HG2 PRO 21 1HG PRO 21 -3.065 -19.564 -4.551 122 HG3 PRO 21 2HG PRO 21 -3.708 -20.027 -2.965 123 HD2 PRO 21 1HD PRO 21 -4.214 -17.605 -4.579 124 HD3 PRO 21 2HD PRO 21 -5.258 -18.429 -3.403 125 H THR 22 H THR 22 -1.848 -15.973 -3.740 126 HA THR 22 HA THR 22 -0.100 -14.428 -1.955 127 HB THR 22 HB THR 22 1.628 -14.259 -3.649 128 HG1 THR 22 1HG THR 22 -0.121 -14.755 -5.373 129 HG21 THR 22 3HG2 THR 22 2.342 -16.664 -3.748 130 HG22 THR 22 1HG2 THR 22 0.785 -17.091 -3.038 131 HG23 THR 22 2HG2 THR 22 1.921 -16.088 -2.135 132 H SER 23 H SER 23 -1.562 -12.737 -1.860 133 HA SER 23 HA SER 23 -1.462 -10.869 -4.006 134 HB2 SER 23 1HB SER 23 -3.189 -12.043 -5.079 135 HB3 SER 23 2HB SER 23 -3.998 -12.425 -3.559 136 HG SER 23 HG SER 23 -4.946 -10.528 -3.571 137 H ILE 24 H ILE 24 -3.036 -8.968 -3.501 138 HA ILE 24 HA ILE 24 -3.792 -8.643 -0.752 139 HB ILE 24 HB ILE 24 -1.447 -7.047 -1.789 140 HG12 ILE 24 1HG1 ILE 24 -1.703 -9.111 0.404 141 HG13 ILE 24 2HG1 ILE 24 -0.724 -9.223 -1.055 142 HG21 ILE 24 1HG2 ILE 24 -1.542 -6.217 0.673 143 HG22 ILE 24 2HG2 ILE 24 -2.612 -5.501 -0.532 144 HG23 ILE 24 3HG2 ILE 24 -3.230 -6.719 0.584 145 HD11 ILE 24 3HD1 ILE 24 -0.269 -7.573 1.395 146 HD12 ILE 24 1HD1 ILE 24 0.808 -8.728 0.610 147 HD13 ILE 24 2HD1 ILE 24 0.498 -7.161 -0.138 148 H LEU 25 H LEU 25 -5.737 -7.798 -1.176 149 HA LEU 25 HA LEU 25 -6.086 -5.847 -3.296 150 HB2 LEU 25 1HB LEU 25 -7.710 -7.704 -2.819 151 HB3 LEU 25 2HB LEU 25 -8.136 -6.855 -1.335 152 HG LEU 25 HG LEU 25 -8.906 -4.938 -2.691 153 HD11 LEU 25 1HD1 LEU 25 -7.460 -6.197 -4.725 154 HD12 LEU 25 2HD1 LEU 25 -8.456 -4.748 -4.854 155 HD13 LEU 25 3HD1 LEU 25 -9.155 -6.331 -5.193 156 HD21 LEU 25 3HD2 LEU 25 -10.089 -7.656 -2.906 157 HD22 LEU 25 1HD2 LEU 25 -10.801 -6.356 -3.862 158 HD23 LEU 25 2HD2 LEU 25 -10.708 -6.210 -2.107 159 H ILE 26 H ILE 26 -5.292 -3.889 -2.763 160 HA ILE 26 HA ILE 26 -5.841 -2.786 -0.113 161 HB ILE 26 HB ILE 26 -4.203 -1.544 -2.321 162 HG12 ILE 26 1HG1 ILE 26 -2.952 -2.876 0.038 163 HG13 ILE 26 2HG1 ILE 26 -3.528 -3.893 -1.279 164 HG21 ILE 26 1HG2 ILE 26 -4.577 -0.960 0.599 165 HG22 ILE 26 2HG2 ILE 26 -3.159 -0.401 -0.287 166 HG23 ILE 26 3HG2 ILE 26 -4.769 0.125 -0.778 167 HD11 ILE 26 3HD1 ILE 26 -1.777 -3.390 -2.538 168 HD12 ILE 26 1HD1 ILE 26 -1.974 -1.660 -2.253 169 HD13 ILE 26 2HD1 ILE 26 -1.072 -2.647 -1.103 170 H THR 27 H THR 27 -7.664 -1.693 0.148 171 HA THR 27 HA THR 27 -8.703 -0.117 -2.115 172 HB THR 27 HB THR 27 -10.931 -0.328 -1.128 173 HG1 THR 27 1HG THR 27 -11.095 -1.925 0.648 174 HG21 THR 27 3HG2 THR 27 -10.289 -3.156 -1.053 175 HG22 THR 27 1HG2 THR 27 -9.496 -2.339 -2.399 176 HG23 THR 27 2HG2 THR 27 -11.249 -2.251 -2.223 177 H TRP 28 H TRP 28 -8.063 1.931 -1.825 178 HA TRP 28 HA TRP 28 -8.456 3.126 0.841 179 HB2 TRP 28 1HB TRP 28 -6.615 4.633 0.391 180 HB3 TRP 28 2HB TRP 28 -6.070 2.975 0.151 181 HD1 TRP 28 HD TRP 28 -6.322 6.273 -1.593 182 HE1 TRP 28 1HE TRP 28 -5.472 6.051 -4.012 183 HE3 TRP 28 3HE TRP 28 -6.048 1.177 -1.893 184 HZ2 TRP 28 2HZ TRP 28 -4.778 3.989 -5.810 185 HZ3 TRP 28 3HZ TRP 28 -5.282 0.159 -3.998 186 HH2 TRP 28 HH TRP 28 -4.661 1.538 -5.915 187 H GLU 29 H GLU 29 -9.150 5.335 0.900 188 HA GLU 29 HA GLU 29 -10.533 6.194 -1.557 189 HB2 GLU 29 1HB GLU 29 -11.481 6.017 1.261 190 HB3 GLU 29 2HB GLU 29 -12.057 7.364 0.288 191 HG2 GLU 29 1HG GLU 29 -13.691 5.775 -0.035 192 HG3 GLU 29 2HG GLU 29 -12.660 5.554 -1.448 193 HA PRO 30 HA PRO 30 -8.582 10.111 -1.267 194 HB2 PRO 30 1HB PRO 30 -10.569 11.815 -1.986 195 HB3 PRO 30 2HB PRO 30 -9.767 10.736 -3.134 196 HG2 PRO 30 1HG PRO 30 -12.394 10.402 -1.738 197 HG3 PRO 30 2HG PRO 30 -11.976 10.072 -3.430 198 HD2 PRO 30 1HD PRO 30 -12.150 8.117 -1.565 199 HD3 PRO 30 2HD PRO 30 -11.015 8.039 -2.927 200 HA PRO 31 HA PRO 31 -9.524 11.475 2.876 201 HB2 PRO 31 1HB PRO 31 -7.488 13.262 3.055 202 HB3 PRO 31 2HB PRO 31 -7.252 11.517 3.213 203 HG2 PRO 31 1HG PRO 31 -6.800 13.282 0.838 204 HG3 PRO 31 2HG PRO 31 -5.788 11.967 1.463 205 HD2 PRO 31 1HD PRO 31 -7.447 11.648 -0.653 206 HD3 PRO 31 2HD PRO 31 -7.086 10.333 0.484 207 H ALA 32 H ALA 32 -10.277 13.377 3.905 208 HA ALA 32 HA ALA 32 -11.398 15.329 2.042 209 HB1 ALA 32 3HB ALA 32 -13.168 15.354 3.386 210 HB2 ALA 32 1HB ALA 32 -12.414 14.042 4.293 211 HB3 ALA 32 2HB ALA 32 -12.170 15.715 4.795 212 H TYR 33 H TYR 33 -9.418 15.192 4.978 213 HA TYR 33 HA TYR 33 -8.912 18.058 4.829 214 HB2 TYR 33 1HB TYR 33 -7.439 17.415 6.903 215 HB3 TYR 33 2HB TYR 33 -9.192 17.481 7.052 216 HD1 TYR 33 2HD TYR 33 -6.300 15.208 6.708 217 HD2 TYR 33 1HD TYR 33 -10.457 15.530 7.556 218 HE1 TYR 33 2HE TYR 33 -6.312 12.880 7.503 219 HE2 TYR 33 1HE TYR 33 -10.481 13.204 8.354 220 HH TYR 33 HH TYR 33 -7.738 11.490 9.102 221 H ALA 34 H ALA 34 -7.873 17.490 2.643 222 HA ALA 34 HA ALA 34 -5.006 16.968 3.090 223 HB1 ALA 34 3HB ALA 34 -6.601 16.265 0.629 224 HB2 ALA 34 1HB ALA 34 -4.878 15.980 0.872 225 HB3 ALA 34 2HB ALA 34 -6.062 15.127 1.863 226 H ASN 35 H ASN 35 -3.533 18.261 2.004 227 HA ASN 35 HA ASN 35 -4.398 20.900 1.397 228 HB2 ASN 35 1HB ASN 35 -2.111 20.079 2.323 229 HB3 ASN 35 2HB ASN 35 -1.698 19.827 0.629 230 HD21 ASN 35 1HD2 ASN 35 -0.039 21.445 1.358 231 HD22 ASN 35 2HD2 ASN 35 -0.435 23.114 1.152 232 H GLY 36 H GLY 36 -5.761 20.975 -0.346 233 HA2 GLY 36 1HA GLY 36 -6.245 21.248 -2.583 234 HA3 GLY 36 2HA GLY 36 -4.553 20.929 -2.935 235 HA PRO 37 HA PRO 37 -6.944 17.390 -4.650 236 HB2 PRO 37 1HB PRO 37 -5.423 17.169 -6.888 237 HB3 PRO 37 2HB PRO 37 -6.789 18.283 -6.762 238 HG2 PRO 37 1HG PRO 37 -3.863 18.833 -6.457 239 HG3 PRO 37 2HG PRO 37 -5.096 19.779 -7.311 240 HD2 PRO 37 1HD PRO 37 -4.208 20.437 -4.839 241 HD3 PRO 37 2HD PRO 37 -5.872 20.752 -5.371 242 H VAL 38 H VAL 38 -5.757 15.375 -5.832 243 HA VAL 38 HA VAL 38 -3.349 14.697 -4.290 244 HB VAL 38 HB VAL 38 -5.796 12.950 -4.572 245 HG11 VAL 38 1HG1 VAL 38 -4.293 11.280 -4.585 246 HG12 VAL 38 2HG1 VAL 38 -2.986 12.316 -4.008 247 HG13 VAL 38 3HG1 VAL 38 -4.144 11.635 -2.864 248 HG21 VAL 38 3HG2 VAL 38 -6.369 14.113 -2.731 249 HG22 VAL 38 1HG2 VAL 38 -5.212 13.052 -1.929 250 HG23 VAL 38 2HG2 VAL 38 -4.720 14.666 -2.441 251 H GLN 39 H GLN 39 -2.002 14.804 -6.052 252 HA GLN 39 HA GLN 39 -2.366 14.082 -8.634 253 HB2 GLN 39 1HB GLN 39 0.027 13.817 -6.846 254 HB3 GLN 39 2HB GLN 39 0.107 13.275 -8.517 255 HG2 GLN 39 1HG GLN 39 -0.747 16.047 -7.742 256 HG3 GLN 39 2HG GLN 39 0.931 15.608 -8.057 257 HE21 GLN 39 1HE2 GLN 39 0.786 17.223 -9.742 258 HE22 GLN 39 2HE2 GLN 39 0.121 16.791 -11.277 259 H GLY 40 H GLY 40 -1.499 11.864 -5.995 260 HA2 GLY 40 1HA GLY 40 -2.959 9.706 -7.084 261 HA3 GLY 40 2HA GLY 40 -1.263 9.529 -7.510 262 H TYR 41 H TYR 41 -0.822 7.750 -6.273 263 HA TYR 41 HA TYR 41 -0.510 8.239 -3.433 264 HB2 TYR 41 1HB TYR 41 -2.035 5.790 -4.318 265 HB3 TYR 41 2HB TYR 41 -1.769 6.359 -2.674 266 HD1 TYR 41 1HD TYR 41 -3.620 6.982 -5.802 267 HD2 TYR 41 2HD TYR 41 -3.173 8.032 -1.703 268 HE1 TYR 41 1HE TYR 41 -5.751 8.207 -5.890 269 HE2 TYR 41 2HE TYR 41 -5.304 9.258 -1.779 270 HH TYR 41 HH TYR 41 -7.434 9.162 -3.200 271 H ARG 42 H ARG 42 1.223 7.201 -2.600 272 HA ARG 42 HA ARG 42 2.704 5.439 -4.424 273 HB2 ARG 42 1HB ARG 42 3.623 7.662 -3.306 274 HB3 ARG 42 2HB ARG 42 3.944 6.576 -1.961 275 HG2 ARG 42 1HG ARG 42 5.292 5.157 -3.417 276 HG3 ARG 42 2HG ARG 42 4.962 6.237 -4.774 277 HD2 ARG 42 1HD ARG 42 6.135 7.354 -2.269 278 HD3 ARG 42 2HD ARG 42 7.173 6.465 -3.382 279 HE ARG 42 HE ARG 42 5.799 8.303 -4.914 280 HH11 ARG 42 1HH1 ARG 42 8.020 8.370 -2.234 281 HH12 ARG 42 2HH1 ARG 42 8.700 9.904 -2.667 282 HH21 ARG 42 1HH2 ARG 42 6.686 10.323 -5.494 283 HH22 ARG 42 2HH2 ARG 42 7.939 11.014 -4.521 284 H LEU 43 H LEU 43 2.897 3.347 -3.974 285 HA LEU 43 HA LEU 43 2.183 2.432 -1.270 286 HB2 LEU 43 1HB LEU 43 0.643 1.488 -2.737 287 HB3 LEU 43 2HB LEU 43 1.858 1.212 -3.983 288 HG LEU 43 HG LEU 43 2.838 -0.517 -2.342 289 HD11 LEU 43 1HD1 LEU 43 1.814 -0.368 -0.333 290 HD12 LEU 43 2HD1 LEU 43 0.678 -1.482 -1.094 291 HD13 LEU 43 3HD1 LEU 43 0.307 0.240 -1.019 292 HD21 LEU 43 3HD2 LEU 43 1.801 -2.127 -3.549 293 HD22 LEU 43 1HD2 LEU 43 1.251 -0.739 -4.488 294 HD23 LEU 43 2HD2 LEU 43 0.193 -1.456 -3.272 295 H PHE 44 H PHE 44 3.532 1.108 -0.145 296 HA PHE 44 HA PHE 44 6.068 0.357 -1.440 297 HB2 PHE 44 1HB PHE 44 5.693 1.433 1.363 298 HB3 PHE 44 2HB PHE 44 7.207 0.800 0.723 299 HD1 PHE 44 2HD PHE 44 8.464 2.037 -0.952 300 HD2 PHE 44 1HD PHE 44 4.865 3.589 0.709 301 HE1 PHE 44 2HE PHE 44 9.027 4.267 -1.824 302 HE2 PHE 44 1HE PHE 44 5.422 5.822 -0.162 303 HZ PHE 44 HZ PHE 44 7.506 6.164 -1.429 304 H CYS 45 H CYS 45 6.365 -1.762 -1.442 305 HA CYS 45 HA CYS 45 4.998 -3.381 0.598 306 HB2 CYS 45 1HB CYS 45 4.268 -4.001 -1.589 307 HB3 CYS 45 2HB CYS 45 5.918 -4.039 -2.200 308 HG CYS 45 HG CYS 45 5.783 -6.155 0.264 309 H THR 46 H THR 46 6.207 -4.231 2.144 310 HA THR 46 HA THR 46 9.043 -4.794 1.569 311 HB THR 46 HB THR 46 7.896 -3.841 4.200 312 HG1 THR 46 1HG THR 46 9.588 -2.526 2.317 313 HG21 THR 46 3HG2 THR 46 10.807 -4.078 3.513 314 HG22 THR 46 1HG2 THR 46 9.916 -5.447 4.175 315 HG23 THR 46 2HG2 THR 46 10.049 -3.952 5.100 316 H GLU 47 H GLU 47 9.379 -6.913 1.556 317 HA GLU 47 HA GLU 47 7.589 -8.745 2.856 318 HB2 GLU 47 1HB GLU 47 8.699 -9.218 0.672 319 HB3 GLU 47 2HB GLU 47 10.237 -9.317 1.517 320 HG2 GLU 47 1HG GLU 47 9.226 -11.153 2.909 321 HG3 GLU 47 2HG GLU 47 7.866 -11.139 1.788 322 H VAL 48 H VAL 48 7.716 -8.466 5.056 323 HA VAL 48 HA VAL 48 9.831 -7.990 6.685 324 HB VAL 48 HB VAL 48 7.637 -9.986 7.262 325 HG11 VAL 48 1HG1 VAL 48 9.630 -10.035 8.789 326 HG12 VAL 48 2HG1 VAL 48 9.247 -8.369 9.227 327 HG13 VAL 48 3HG1 VAL 48 8.096 -9.661 9.573 328 HG21 VAL 48 3HG2 VAL 48 6.889 -7.706 6.543 329 HG22 VAL 48 1HG2 VAL 48 6.382 -8.169 8.168 330 HG23 VAL 48 2HG2 VAL 48 7.730 -7.053 7.949 331 H SER 49 H SER 49 8.971 -11.091 5.237 332 HA SER 49 HA SER 49 10.609 -12.823 6.591 333 HB2 SER 49 1HB SER 49 8.998 -13.157 4.517 334 HB3 SER 49 2HB SER 49 10.508 -13.055 3.612 335 HG SER 49 HG SER 49 9.966 -14.849 5.746 336 H THR 50 H THR 50 11.521 -11.173 3.561 337 HA THR 50 HA THR 50 14.329 -11.698 4.116 338 HB THR 50 HB THR 50 14.705 -10.634 1.874 339 HG1 THR 50 1HG THR 50 13.009 -9.382 1.415 340 HG21 THR 50 3HG2 THR 50 12.975 -12.554 0.849 341 HG22 THR 50 1HG2 THR 50 13.360 -13.133 2.469 342 HG23 THR 50 2HG2 THR 50 14.656 -12.799 1.320 343 H GLY 51 H GLY 51 12.274 -8.867 3.418 344 HA2 GLY 51 1HA GLY 51 12.467 -6.901 4.834 345 HA3 GLY 51 2HA GLY 51 14.185 -7.244 4.975 346 H LYS 52 H LYS 52 12.647 -7.587 1.894 347 HA LYS 52 HA LYS 52 14.193 -5.301 0.913 348 HB2 LYS 52 1HB LYS 52 12.888 -7.626 -0.505 349 HB3 LYS 52 2HB LYS 52 13.641 -6.279 -1.349 350 HG2 LYS 52 1HG LYS 52 15.782 -6.812 -0.325 351 HG3 LYS 52 2HG LYS 52 15.035 -8.141 0.565 352 HD2 LYS 52 1HD LYS 52 14.319 -8.987 -1.775 353 HD3 LYS 52 2HD LYS 52 15.571 -7.896 -2.373 354 HE2 LYS 52 1HE LYS 52 17.265 -9.048 -1.172 355 HE3 LYS 52 2HE LYS 52 16.077 -9.972 -0.252 356 HZ1 LYS 52 3HZ LYS 52 15.389 -10.998 -2.387 357 HZ2 LYS 52 1HZ LYS 52 16.975 -11.372 -1.934 358 HZ3 LYS 52 2HZ LYS 52 16.689 -10.225 -3.144 359 H GLU 53 H GLU 53 13.226 -3.434 0.498 360 HA GLU 53 HA GLU 53 10.315 -3.318 0.417 361 HB2 GLU 53 1HB GLU 53 11.363 -1.726 1.879 362 HB3 GLU 53 2HB GLU 53 12.435 -1.177 0.599 363 HG2 GLU 53 1HG GLU 53 9.513 -0.939 0.155 364 HG3 GLU 53 2HG GLU 53 10.273 0.167 1.298 365 H GLN 54 H GLN 54 9.151 -2.299 -1.255 366 HA GLN 54 HA GLN 54 10.575 -1.674 -3.722 367 HB2 GLN 54 1HB GLN 54 9.227 -3.149 -5.082 368 HB3 GLN 54 2HB GLN 54 10.040 -4.090 -3.839 369 HG2 GLN 54 1HG GLN 54 7.877 -3.866 -2.504 370 HG3 GLN 54 2HG GLN 54 7.149 -3.330 -4.017 371 HE21 GLN 54 1HE2 GLN 54 5.800 -5.238 -3.670 372 HE22 GLN 54 2HE2 GLN 54 6.369 -6.770 -4.232 373 H ASN 55 H ASN 55 9.836 0.218 -4.395 374 HA ASN 55 HA ASN 55 7.259 1.192 -3.491 375 HB2 ASN 55 1HB ASN 55 8.108 3.212 -4.995 376 HB3 ASN 55 2HB ASN 55 8.745 2.939 -3.376 377 HD21 ASN 55 1HD2 ASN 55 10.757 1.745 -3.203 378 HD22 ASN 55 2HD2 ASN 55 11.929 1.887 -4.465 379 H ILE 56 H ILE 56 5.446 1.253 -4.659 380 HA ILE 56 HA ILE 56 5.628 0.852 -7.568 381 HB ILE 56 HB ILE 56 3.666 -0.512 -5.720 382 HG12 ILE 56 1HG1 ILE 56 5.760 -1.720 -7.536 383 HG13 ILE 56 2HG1 ILE 56 5.991 -1.458 -5.810 384 HG21 ILE 56 1HG2 ILE 56 2.841 -1.611 -7.773 385 HG22 ILE 56 2HG2 ILE 56 2.566 0.130 -7.770 386 HG23 ILE 56 3HG2 ILE 56 3.880 -0.553 -8.727 387 HD11 ILE 56 3HD1 ILE 56 3.562 -2.863 -6.143 388 HD12 ILE 56 1HD1 ILE 56 4.787 -3.656 -7.133 389 HD13 ILE 56 2HD1 ILE 56 5.065 -3.419 -5.407 390 H GLU 57 H GLU 57 4.543 2.323 -8.700 391 HA GLU 57 HA GLU 57 2.809 4.188 -7.294 392 HB2 GLU 57 1HB GLU 57 4.292 4.181 -9.865 393 HB3 GLU 57 2HB GLU 57 2.810 5.126 -9.810 394 HG2 GLU 57 1HG GLU 57 3.887 6.037 -7.582 395 HG3 GLU 57 2HG GLU 57 5.376 5.530 -8.376 396 H VAL 58 H VAL 58 0.783 3.481 -7.024 397 HA VAL 58 HA VAL 58 -0.562 2.166 -9.287 398 HB VAL 58 HB VAL 58 -2.188 1.321 -7.678 399 HG11 VAL 58 1HG1 VAL 58 -0.145 0.027 -8.129 400 HG12 VAL 58 2HG1 VAL 58 0.636 0.805 -6.752 401 HG13 VAL 58 3HG1 VAL 58 -0.760 -0.243 -6.499 402 HG21 VAL 58 3HG2 VAL 58 -0.957 3.315 -5.968 403 HG22 VAL 58 1HG2 VAL 58 -2.518 2.508 -5.819 404 HG23 VAL 58 2HG2 VAL 58 -1.064 1.740 -5.182 405 H ASP 59 H ASP 59 -3.059 2.577 -9.158 406 HA ASP 59 HA ASP 59 -3.677 5.349 -8.488 407 HB2 ASP 59 1HB ASP 59 -2.859 5.395 -10.824 408 HB3 ASP 59 2HB ASP 59 -4.103 4.228 -11.266 409 H GLY 60 H GLY 60 -6.064 5.802 -8.911 410 HA2 GLY 60 1HA GLY 60 -8.298 5.189 -8.794 411 HA3 GLY 60 2HA GLY 60 -7.815 3.510 -8.984 412 H LEU 61 H LEU 61 -9.520 3.200 -7.338 413 HA LEU 61 HA LEU 61 -8.474 3.682 -4.625 414 HB2 LEU 61 1HB LEU 61 -11.351 3.317 -5.443 415 HB3 LEU 61 2HB LEU 61 -10.758 3.663 -3.820 416 HG LEU 61 HG LEU 61 -10.785 5.503 -6.205 417 HD11 LEU 61 1HD1 LEU 61 -12.103 6.916 -4.640 418 HD12 LEU 61 2HD1 LEU 61 -12.110 5.571 -3.500 419 HD13 LEU 61 3HD1 LEU 61 -12.892 5.399 -5.071 420 HD21 LEU 61 3HD2 LEU 61 -9.192 5.590 -3.700 421 HD22 LEU 61 1HD2 LEU 61 -9.890 7.097 -4.292 422 HD23 LEU 61 2HD2 LEU 61 -8.794 6.171 -5.318 423 H SER 62 H SER 62 -7.870 1.442 -6.400 424 HA SER 62 HA SER 62 -8.116 -0.669 -4.555 425 HB2 SER 62 1HB SER 62 -9.652 -2.153 -5.717 426 HB3 SER 62 2HB SER 62 -10.475 -0.638 -5.347 427 HG SER 62 HG SER 62 -9.344 -0.355 -7.715 428 H TYR 63 H TYR 63 -6.408 -1.921 -4.898 429 HA TYR 63 HA TYR 63 -5.540 -2.490 -7.628 430 HB2 TYR 63 1HB TYR 63 -4.247 -0.515 -6.956 431 HB3 TYR 63 2HB TYR 63 -3.702 -1.355 -5.508 432 HD1 TYR 63 2HD TYR 63 -2.323 -3.495 -5.835 433 HD2 TYR 63 1HD TYR 63 -3.034 -0.682 -8.948 434 HE1 TYR 63 2HE TYR 63 -0.394 -4.386 -7.073 435 HE2 TYR 63 1HE TYR 63 -1.107 -1.566 -10.195 436 HH TYR 63 HH TYR 63 0.431 -4.486 -9.371 437 H LYS 64 H LYS 64 -5.440 -4.622 -7.755 438 HA LYS 64 HA LYS 64 -5.044 -6.243 -5.389 439 HB2 LYS 64 1HB LYS 64 -6.649 -6.680 -7.406 440 HB3 LYS 64 2HB LYS 64 -5.213 -7.349 -8.171 441 HG2 LYS 64 1HG LYS 64 -4.975 -8.822 -6.127 442 HG3 LYS 64 2HG LYS 64 -6.598 -8.292 -5.679 443 HD2 LYS 64 1HD LYS 64 -7.131 -9.008 -8.168 444 HD3 LYS 64 2HD LYS 64 -5.712 -10.030 -7.927 445 HE2 LYS 64 1HE LYS 64 -6.722 -11.249 -6.232 446 HE3 LYS 64 2HE LYS 64 -7.897 -9.981 -5.884 447 HZ1 LYS 64 3HZ LYS 64 -8.336 -10.753 -8.503 448 HZ2 LYS 64 1HZ LYS 64 -9.316 -11.074 -7.162 449 HZ3 LYS 64 2HZ LYS 64 -8.136 -12.190 -7.632 450 H LEU 65 H LEU 65 -3.109 -6.836 -4.692 451 HA LEU 65 HA LEU 65 -0.794 -6.601 -6.425 452 HB2 LEU 65 1HB LEU 65 -1.081 -5.982 -3.869 453 HB3 LEU 65 2HB LEU 65 -0.610 -7.667 -3.654 454 HG LEU 65 HG LEU 65 1.367 -6.904 -5.271 455 HD11 LEU 65 1HD1 LEU 65 1.010 -4.684 -5.675 456 HD12 LEU 65 2HD1 LEU 65 2.008 -4.574 -4.226 457 HD13 LEU 65 3HD1 LEU 65 0.256 -4.403 -4.106 458 HD21 LEU 65 3HD2 LEU 65 2.081 -7.844 -3.324 459 HD22 LEU 65 1HD2 LEU 65 1.023 -6.849 -2.323 460 HD23 LEU 65 2HD2 LEU 65 2.505 -6.164 -2.991 461 H GLU 66 H GLU 66 0.676 -8.289 -6.851 462 HA GLU 66 HA GLU 66 -0.115 -11.008 -6.175 463 HB2 GLU 66 1HB GLU 66 0.337 -10.237 -9.057 464 HB3 GLU 66 2HB GLU 66 -0.187 -11.795 -8.434 465 HG2 GLU 66 1HG GLU 66 -2.263 -10.670 -7.611 466 HG3 GLU 66 2HG GLU 66 -1.745 -9.226 -8.479 467 H GLY 67 H GLY 67 1.547 -12.610 -6.894 468 HA2 GLY 67 1HA GLY 67 3.751 -13.229 -7.364 469 HA3 GLY 67 2HA GLY 67 4.177 -11.529 -7.492 470 H LEU 68 H LEU 68 2.509 -13.013 -4.771 471 HA LEU 68 HA LEU 68 4.811 -12.302 -3.084 472 HB2 LEU 68 1HB LEU 68 1.929 -12.709 -2.300 473 HB3 LEU 68 2HB LEU 68 3.235 -12.214 -1.225 474 HG LEU 68 HG LEU 68 2.665 -10.505 -3.589 475 HD11 LEU 68 1HD1 LEU 68 0.831 -10.874 -1.255 476 HD12 LEU 68 2HD1 LEU 68 0.443 -10.699 -2.966 477 HD13 LEU 68 3HD1 LEU 68 0.985 -9.301 -2.038 478 HD21 LEU 68 3HD2 LEU 68 3.648 -8.868 -2.344 479 HD22 LEU 68 1HD2 LEU 68 4.437 -10.279 -1.637 480 HD23 LEU 68 2HD2 LEU 68 3.070 -9.528 -0.813 481 H LYS 69 H LYS 69 4.492 -13.709 -0.872 482 HA LYS 69 HA LYS 69 4.956 -16.447 -1.756 483 HB2 LYS 69 1HB LYS 69 5.636 -14.854 0.672 484 HB3 LYS 69 2HB LYS 69 5.518 -16.602 0.835 485 HG2 LYS 69 1HG LYS 69 7.131 -16.746 -1.117 486 HG3 LYS 69 2HG LYS 69 7.397 -15.016 -0.887 487 HD2 LYS 69 1HD LYS 69 7.592 -16.741 1.515 488 HD3 LYS 69 2HD LYS 69 8.882 -16.885 0.317 489 HE2 LYS 69 1HE LYS 69 9.622 -15.235 1.814 490 HE3 LYS 69 2HE LYS 69 9.031 -14.345 0.411 491 HZ1 LYS 69 3HZ LYS 69 7.269 -14.863 2.720 492 HZ2 LYS 69 1HZ LYS 69 7.148 -13.654 1.542 493 HZ3 LYS 69 2HZ LYS 69 8.345 -13.558 2.733 494 H LYS 70 H LYS 70 3.708 -18.165 -1.238 495 HA LYS 70 HA LYS 70 1.109 -18.240 -0.949 496 HB2 LYS 70 1HB LYS 70 2.903 -20.156 -0.687 497 HB3 LYS 70 2HB LYS 70 2.542 -19.971 1.025 498 HG2 LYS 70 1HG LYS 70 0.382 -20.730 0.793 499 HG3 LYS 70 2HG LYS 70 0.305 -20.306 -0.919 500 HD2 LYS 70 1HD LYS 70 2.192 -22.423 0.051 501 HD3 LYS 70 2HD LYS 70 0.494 -22.799 -0.252 502 HE2 LYS 70 1HE LYS 70 1.243 -23.225 -2.337 503 HE3 LYS 70 2HE LYS 70 1.098 -21.478 -2.519 504 HZ1 LYS 70 3HZ LYS 70 3.562 -21.739 -1.474 505 HZ2 LYS 70 1HZ LYS 70 3.231 -21.603 -3.127 506 HZ3 LYS 70 2HZ LYS 70 3.461 -23.128 -2.434 507 H PHE 71 H PHE 71 2.897 -18.531 2.115 508 HA PHE 71 HA PHE 71 0.967 -16.677 3.335 509 HB2 PHE 71 1HB PHE 71 0.379 -19.035 3.875 510 HB3 PHE 71 2HB PHE 71 1.966 -19.231 4.612 511 HD1 PHE 71 1HD PHE 71 2.555 -17.616 6.535 512 HD2 PHE 71 2HD PHE 71 -1.409 -18.310 5.148 513 HE1 PHE 71 1HE PHE 71 1.665 -16.786 8.673 514 HE2 PHE 71 2HE PHE 71 -2.305 -17.480 7.284 515 HZ PHE 71 HZ PHE 71 -0.768 -16.715 9.050 516 H THR 72 H THR 72 2.267 -14.950 3.629 517 HA THR 72 HA THR 72 4.458 -15.245 5.526 518 HB THR 72 HB THR 72 4.815 -14.048 2.776 519 HG1 THR 72 1HG THR 72 5.297 -16.219 2.795 520 HG21 THR 72 3HG2 THR 72 5.905 -13.093 5.183 521 HG22 THR 72 1HG2 THR 72 6.398 -12.678 3.542 522 HG23 THR 72 2HG2 THR 72 7.192 -14.003 4.393 523 H GLU 73 H GLU 73 4.512 -13.612 6.948 524 HA GLU 73 HA GLU 73 2.494 -11.656 6.996 525 HB2 GLU 73 1HB GLU 73 3.545 -12.437 9.039 526 HB3 GLU 73 2HB GLU 73 5.101 -11.805 8.517 527 HG2 GLU 73 1HG GLU 73 4.427 -9.584 8.812 528 HG3 GLU 73 2HG GLU 73 2.721 -10.022 8.887 529 H TYR 74 H TYR 74 2.368 -10.171 5.422 530 HA TYR 74 HA TYR 74 4.809 -8.784 4.574 531 HB2 TYR 74 1HB TYR 74 2.140 -9.263 3.323 532 HB3 TYR 74 2HB TYR 74 3.044 -7.829 2.848 533 HD1 TYR 74 2HD TYR 74 5.414 -8.153 1.962 534 HD2 TYR 74 1HD TYR 74 2.648 -11.357 2.397 535 HE1 TYR 74 2HE TYR 74 6.738 -9.503 0.390 536 HE2 TYR 74 1HE TYR 74 3.965 -12.716 0.827 537 HH TYR 74 HH TYR 74 6.843 -12.436 0.119 538 H SER 75 H SER 75 4.930 -6.519 4.528 539 HA SER 75 HA SER 75 2.857 -5.076 6.028 540 HB2 SER 75 1HB SER 75 5.838 -4.830 6.503 541 HB3 SER 75 2HB SER 75 4.590 -3.860 7.284 542 HG SER 75 HG SER 75 5.284 -6.535 7.682 543 H LEU 76 H LEU 76 2.080 -3.600 4.680 544 HA LEU 76 HA LEU 76 3.913 -2.297 2.787 545 HB2 LEU 76 1HB LEU 76 0.929 -2.129 2.641 546 HB3 LEU 76 2HB LEU 76 2.116 -1.932 1.353 547 HG LEU 76 HG LEU 76 1.344 -4.537 2.667 548 HD11 LEU 76 1HD1 LEU 76 -0.095 -3.134 0.834 549 HD12 LEU 76 2HD1 LEU 76 -0.128 -4.887 1.015 550 HD13 LEU 76 3HD1 LEU 76 0.910 -4.146 -0.203 551 HD21 LEU 76 3HD2 LEU 76 3.068 -4.158 0.235 552 HD22 LEU 76 1HD2 LEU 76 2.814 -5.621 1.186 553 HD23 LEU 76 2HD2 LEU 76 3.741 -4.281 1.861 554 H ARG 77 H ARG 77 3.109 0.012 2.204 555 HA ARG 77 HA ARG 77 2.073 1.463 4.506 556 HB2 ARG 77 1HB ARG 77 4.523 1.365 4.844 557 HB3 ARG 77 2HB ARG 77 4.753 2.123 3.274 558 HG2 ARG 77 1HG ARG 77 3.579 4.118 4.068 559 HG3 ARG 77 2HG ARG 77 3.367 3.356 5.646 560 HD2 ARG 77 1HD ARG 77 5.240 4.781 5.852 561 HD3 ARG 77 2HD ARG 77 5.882 3.143 5.739 562 HE ARG 77 HE ARG 77 5.790 4.250 3.167 563 HH11 ARG 77 1HH1 ARG 77 7.488 4.647 6.180 564 HH12 ARG 77 2HH1 ARG 77 8.932 5.251 5.437 565 HH21 ARG 77 1HH2 ARG 77 7.685 5.043 2.177 566 HH22 ARG 77 2HH2 ARG 77 9.043 5.477 3.160 567 H PHE 78 H PHE 78 0.513 2.696 3.713 568 HA PHE 78 HA PHE 78 0.787 3.757 0.986 569 HB2 PHE 78 1HB PHE 78 -1.244 2.302 1.880 570 HB3 PHE 78 2HB PHE 78 -1.803 3.866 2.465 571 HD1 PHE 78 1HD PHE 78 -0.799 2.004 -0.566 572 HD2 PHE 78 2HD PHE 78 -2.768 5.434 1.007 573 HE1 PHE 78 1HE PHE 78 -1.688 2.516 -2.803 574 HE2 PHE 78 2HE PHE 78 -3.660 5.951 -1.227 575 HZ PHE 78 HZ PHE 78 -3.121 4.491 -3.135 576 H LEU 79 H LEU 79 0.348 5.933 0.546 577 HA LEU 79 HA LEU 79 -0.263 7.772 2.676 578 HB2 LEU 79 1HB LEU 79 1.763 9.015 2.647 579 HB3 LEU 79 2HB LEU 79 2.171 7.327 2.950 580 HG LEU 79 HG LEU 79 2.567 7.319 0.337 581 HD11 LEU 79 1HD1 LEU 79 2.946 10.206 1.111 582 HD12 LEU 79 2HD1 LEU 79 1.843 9.563 -0.105 583 HD13 LEU 79 3HD1 LEU 79 3.585 9.471 -0.359 584 HD21 LEU 79 3HD2 LEU 79 4.191 6.883 2.211 585 HD22 LEU 79 1HD2 LEU 79 4.586 8.601 2.163 586 HD23 LEU 79 2HD2 LEU 79 4.887 7.588 0.751 587 H ALA 80 H ALA 80 -0.480 9.994 1.903 588 HA ALA 80 HA ALA 80 -1.262 10.033 -0.925 589 HB1 ALA 80 3HB ALA 80 -2.648 10.810 1.303 590 HB2 ALA 80 1HB ALA 80 -2.021 12.342 0.694 591 HB3 ALA 80 2HB ALA 80 -3.003 11.313 -0.349 592 H TYR 81 H TYR 81 -0.478 11.527 -2.355 593 HA TYR 81 HA TYR 81 1.340 13.600 -1.418 594 HB2 TYR 81 1HB TYR 81 3.184 12.921 -2.783 595 HB3 TYR 81 2HB TYR 81 2.706 11.525 -1.824 596 HD1 TYR 81 1HD TYR 81 2.042 13.061 -5.166 597 HD2 TYR 81 2HD TYR 81 2.473 9.490 -2.893 598 HE1 TYR 81 1HE TYR 81 1.822 11.731 -7.224 599 HE2 TYR 81 2HE TYR 81 2.256 8.151 -4.944 600 HH TYR 81 HH TYR 81 2.522 9.437 -8.017 601 H ASN 82 H ASN 82 1.265 15.400 -2.645 602 HA ASN 82 HA ASN 82 -0.086 15.228 -5.256 603 HB2 ASN 82 1HB ASN 82 -1.359 17.174 -4.813 604 HB3 ASN 82 2HB ASN 82 -1.506 16.186 -3.363 605 HD21 ASN 82 1HD2 ASN 82 0.339 16.654 -1.739 606 HD22 ASN 82 2HD2 ASN 82 0.621 18.328 -1.418 607 H ARG 83 H ARG 83 0.163 17.664 -6.245 608 HA ARG 83 HA ARG 83 2.564 17.913 -7.386 609 HB2 ARG 83 1HB ARG 83 2.162 20.301 -7.680 610 HB3 ARG 83 2HB ARG 83 0.668 19.396 -7.880 611 HG2 ARG 83 1HG ARG 83 -0.041 20.021 -5.647 612 HG3 ARG 83 2HG ARG 83 1.482 20.874 -5.387 613 HD2 ARG 83 1HD ARG 83 -0.299 21.572 -7.692 614 HD3 ARG 83 2HD ARG 83 -0.609 22.224 -6.083 615 HE ARG 83 HE ARG 83 1.964 22.845 -6.418 616 HH11 ARG 83 1HH1 ARG 83 -0.774 23.209 -8.536 617 HH12 ARG 83 2HH1 ARG 83 -0.141 24.614 -9.327 618 HH21 ARG 83 1HH2 ARG 83 2.809 24.694 -7.452 619 HH22 ARG 83 2HH2 ARG 83 1.898 25.458 -8.711 620 H TYR 84 H TYR 84 1.756 19.268 -4.208 621 HA TYR 84 HA TYR 84 4.214 20.518 -3.709 622 HB2 TYR 84 1HB TYR 84 2.327 19.300 -1.684 623 HB3 TYR 84 2HB TYR 84 3.549 20.525 -1.364 624 HD1 TYR 84 1HD TYR 84 3.248 22.526 -3.339 625 HD2 TYR 84 2HD TYR 84 0.207 20.180 -1.509 626 HE1 TYR 84 1HE TYR 84 1.606 24.294 -3.816 627 HE2 TYR 84 2HE TYR 84 -1.444 21.941 -1.982 628 HH TYR 84 HH TYR 84 -0.666 25.027 -2.765 629 H GLY 85 H GLY 85 3.051 17.403 -2.399 630 HA2 GLY 85 1HA GLY 85 5.177 15.802 -2.985 631 HA3 GLY 85 2HA GLY 85 5.701 16.669 -1.549 632 HA PRO 86 HA PRO 86 3.255 12.829 -0.391 633 HB2 PRO 86 1HB PRO 86 5.242 11.630 1.019 634 HB3 PRO 86 2HB PRO 86 5.014 11.387 -0.717 635 HG2 PRO 86 1HG PRO 86 6.930 13.193 0.708 636 HG3 PRO 86 2HG PRO 86 7.211 12.150 -0.699 637 HD2 PRO 86 1HD PRO 86 6.800 14.818 -0.921 638 HD3 PRO 86 2HD PRO 86 6.276 13.664 -2.165 639 H GLY 87 H GLY 87 1.975 13.159 1.311 640 HA2 GLY 87 1HA GLY 87 2.869 14.866 3.490 641 HA3 GLY 87 2HA GLY 87 1.235 14.275 3.230 642 H VAL 88 H VAL 88 0.780 13.393 5.177 643 HA VAL 88 HA VAL 88 2.666 11.823 6.649 644 HB VAL 88 HB VAL 88 -0.317 12.116 7.030 645 HG11 VAL 88 1HG1 VAL 88 1.725 10.527 8.408 646 HG12 VAL 88 2HG1 VAL 88 0.718 11.511 9.472 647 HG13 VAL 88 3HG1 VAL 88 -0.028 10.344 8.379 648 HG21 VAL 88 3HG2 VAL 88 0.930 13.451 9.075 649 HG22 VAL 88 1HG2 VAL 88 1.966 13.810 7.694 650 HG23 VAL 88 2HG2 VAL 88 0.247 14.199 7.631 651 H SER 89 H SER 89 2.727 9.616 6.958 652 HA SER 89 HA SER 89 1.409 8.041 4.869 653 HB2 SER 89 1HB SER 89 3.649 7.199 6.722 654 HB3 SER 89 2HB SER 89 3.089 6.350 5.281 655 HG SER 89 HG SER 89 4.088 7.769 4.031 656 H THR 90 H THR 90 0.499 5.954 5.397 657 HA THR 90 HA THR 90 -1.038 6.067 7.851 658 HB THR 90 HB THR 90 -2.238 4.110 6.957 659 HG1 THR 90 1HG THR 90 -0.608 3.084 5.795 660 HG21 THR 90 3HG2 THR 90 -1.886 6.569 5.296 661 HG22 THR 90 1HG2 THR 90 -3.274 6.050 6.251 662 HG23 THR 90 2HG2 THR 90 -2.922 5.268 4.710 663 H ASP 91 H ASP 91 -1.241 4.228 9.286 664 HA ASP 91 HA ASP 91 1.216 3.281 10.230 665 HB2 ASP 91 1HB ASP 91 -1.551 2.164 10.733 666 HB3 ASP 91 2HB ASP 91 -0.117 1.810 11.692 667 H ASP 92 H ASP 92 2.438 1.559 9.765 668 HA ASP 92 HA ASP 92 2.485 0.177 7.487 669 HB2 ASP 92 1HB ASP 92 3.506 -1.763 8.780 670 HB3 ASP 92 2HB ASP 92 4.251 -0.186 9.026 671 H ILE 93 H ILE 93 1.051 -0.967 6.386 672 HA ILE 93 HA ILE 93 -1.178 -2.231 7.764 673 HB ILE 93 HB ILE 93 -0.616 -2.001 4.805 674 HG12 ILE 93 1HG1 ILE 93 -2.615 -0.457 6.462 675 HG13 ILE 93 2HG1 ILE 93 -1.011 0.154 6.072 676 HG21 ILE 93 1HG2 ILE 93 -3.373 -2.400 5.606 677 HG22 ILE 93 2HG2 ILE 93 -2.409 -3.262 4.408 678 HG23 ILE 93 3HG2 ILE 93 -2.334 -3.735 6.105 679 HD11 ILE 93 3HD1 ILE 93 -3.410 -0.090 4.391 680 HD12 ILE 93 1HD1 ILE 93 -2.110 1.101 4.359 681 HD13 ILE 93 2HD1 ILE 93 -1.876 -0.480 3.613 682 H THR 94 H THR 94 -0.531 -4.105 8.692 683 HA THR 94 HA THR 94 1.135 -5.979 7.222 684 HB THR 94 HB THR 94 -0.112 -6.485 9.916 685 HG1 THR 94 1HG THR 94 2.184 -5.664 10.505 686 HG21 THR 94 3HG2 THR 94 1.016 -8.345 8.690 687 HG22 THR 94 1HG2 THR 94 1.763 -7.955 10.239 688 HG23 THR 94 2HG2 THR 94 2.509 -7.408 8.737 689 H VAL 95 H VAL 95 0.347 -7.544 5.986 690 HA VAL 95 HA VAL 95 -2.265 -8.710 6.626 691 HB VAL 95 HB VAL 95 -1.482 -7.750 3.870 692 HG11 VAL 95 1HG1 VAL 95 -3.749 -8.514 3.228 693 HG12 VAL 95 2HG1 VAL 95 -2.681 -9.834 3.708 694 HG13 VAL 95 3HG1 VAL 95 -3.919 -9.250 4.821 695 HG21 VAL 95 3HG2 VAL 95 -2.558 -5.861 4.329 696 HG22 VAL 95 1HG2 VAL 95 -3.991 -6.761 4.827 697 HG23 VAL 95 2HG2 VAL 95 -2.727 -6.395 6.001 698 H VAL 96 H VAL 96 -1.864 -10.793 6.951 699 HA VAL 96 HA VAL 96 0.369 -12.121 5.694 700 HB VAL 96 HB VAL 96 -1.781 -13.270 7.480 701 HG11 VAL 96 1HG1 VAL 96 0.618 -14.397 6.171 702 HG12 VAL 96 2HG1 VAL 96 0.344 -14.859 7.853 703 HG13 VAL 96 3HG1 VAL 96 -0.894 -15.176 6.637 704 HG21 VAL 96 3HG2 VAL 96 -0.796 -12.012 9.051 705 HG22 VAL 96 1HG2 VAL 96 0.530 -13.171 8.945 706 HG23 VAL 96 2HG2 VAL 96 0.599 -11.664 8.031 707 H THR 97 H THR 97 0.264 -12.971 3.733 708 HA THR 97 HA THR 97 -2.004 -13.203 2.159 709 HB THR 97 HB THR 97 -0.612 -14.900 0.825 710 HG1 THR 97 1HG THR 97 1.330 -15.411 1.571 711 HG21 THR 97 3HG2 THR 97 0.190 -12.078 1.423 712 HG22 THR 97 1HG2 THR 97 -0.579 -12.737 -0.020 713 HG23 THR 97 2HG2 THR 97 1.129 -13.046 0.289 714 H LEU 98 H LEU 98 -3.082 -15.120 1.331 715 HA LEU 98 HA LEU 98 -4.072 -16.773 3.388 716 HB2 LEU 98 1HB LEU 98 -4.253 -17.316 0.434 717 HB3 LEU 98 2HB LEU 98 -5.351 -17.868 1.698 718 HG LEU 98 HG LEU 98 -5.043 -15.062 0.639 719 HD11 LEU 98 1HD1 LEU 98 -7.398 -15.354 0.020 720 HD12 LEU 98 2HD1 LEU 98 -7.339 -17.017 0.606 721 HD13 LEU 98 3HD1 LEU 98 -6.355 -16.534 -0.776 722 HD21 LEU 98 3HD2 LEU 98 -5.790 -14.298 2.583 723 HD22 LEU 98 1HD2 LEU 98 -5.858 -15.935 3.236 724 HD23 LEU 98 2HD2 LEU 98 -7.249 -15.269 2.380 725 H SER 99 H SER 99 -4.236 -19.308 2.594 726 HA SER 99 HA SER 99 -1.510 -20.264 2.095 727 HB2 SER 99 1HB SER 99 -1.621 -20.307 4.483 728 HB3 SER 99 2HB SER 99 -3.240 -21.007 4.459 729 HG SER 99 HG SER 99 -1.573 -22.578 3.076 730 H ASP 100 H ASP 100 -1.797 -21.327 0.236 731 HA ASP 100 HA ASP 100 -4.111 -22.497 -0.722 732 HB2 ASP 100 1HB ASP 100 -2.429 -22.227 -2.313 733 HB3 ASP 100 2HB ASP 100 -1.202 -22.963 -1.286 734 H SER 101 H SER 101 -5.303 -24.038 0.169 735 HA SER 101 HA SER 101 -4.073 -26.032 1.896 736 HB2 SER 101 1HB SER 101 -6.893 -25.165 1.350 737 HB3 SER 101 2HB SER 101 -6.586 -26.723 2.117 738 HG SER 101 HG SER 101 -6.725 -25.339 3.786 739 H GLY 102 H GLY 102 -6.276 -26.018 -0.912 740 HA2 GLY 102 1HA GLY 102 -5.031 -27.850 -2.492 741 HA3 GLY 102 2HA GLY 102 -5.920 -28.842 -1.346 742 HA PRO 103 HA PRO 103 -9.688 -28.368 -3.535 743 HB2 PRO 103 1HB PRO 103 -11.514 -27.540 -1.705 744 HB3 PRO 103 2HB PRO 103 -10.839 -29.174 -1.717 745 HG2 PRO 103 1HG PRO 103 -10.078 -26.822 -0.029 746 HG3 PRO 103 2HG PRO 103 -10.279 -28.519 0.443 747 HD2 PRO 103 1HD PRO 103 -7.850 -27.408 -0.000 748 HD3 PRO 103 2HD PRO 103 -8.196 -29.115 -0.344 749 H SER 104 H SER 104 -10.992 -26.939 -4.670 750 HA SER 104 HA SER 104 -10.208 -24.136 -4.468 751 HB2 SER 104 1HB SER 104 -10.119 -25.243 -6.676 752 HB3 SER 104 2HB SER 104 -11.854 -25.544 -6.585 753 HG SER 104 HG SER 104 -10.491 -23.225 -7.174 754 H SER 105 H SER 105 -11.640 -22.449 -4.175 755 HA SER 105 HA SER 105 -14.236 -23.219 -3.035 756 HB2 SER 105 1HB SER 105 -12.513 -20.768 -2.640 757 HB3 SER 105 2HB SER 105 -14.161 -20.896 -2.026 758 HG SER 105 HG SER 105 -13.453 -22.784 -0.877 759 H GLY 106 H GLY 106 -15.881 -23.042 -4.404 760 HA2 GLY 106 1HA GLY 106 -17.367 -22.098 -5.884 761 HA3 GLY 106 2HA GLY 106 -16.526 -20.572 -5.653
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